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 1n1h_1_A DATA FIRST_RESID 2 DATA SEQUENCE SSMILTQFGP FIESISGITD QSNDVFEDAA KAFSMFTRSD VYKALDEIPF DATA SEQUENCE SDDAMLPIPP TIYTKPSHDS YYYIDALNRV RRKTYQGPDD VYVPNCSIVE DATA SEQUENCE LLEPHETLTS YGRLSEAIEN RAKDGDSQAR IATTYGRIAE SQARQIKAPL DATA SEQUENCE EKFVLALLVA EAGGSLYDPV LQKYDEIPDL SHNCPLWCFR EICRHISGPL DATA SEQUENCE PDRAPYLYLS AGVFWLMSPR MTSAIPPLLS DLVNLAILQQ TAGLDPSLVK DATA SEQUENCE LGVQICLHAA ASSSYSWFIL KTKSIFPQNT LHSMYESLEG GYCPNLEWLE DATA SEQUENCE PRSDYKFMYM GVMPLSAKYA RSAPSNDKKA RELGEKYGLS SVVGELRKRT DATA SEQUENCE KTYVKHDFAS VRYIRDAMAC TSGIFLVRTP TETVLQEYTQ SPEIKVPIPQ DATA SEQUENCE KDWTGPIGEI RILKDTTSSI ARYLYRTWYL AAARMAAQPR TWDPLFQAIM DATA SEQUENCE RSQYVTARGG SGAALRESLY AINVSLPDFK GLPVKAATKI FQAAQLANLP DATA SEQUENCE FSHTSVAILA DTSMGLRNQV QRRPRSIMPL NVPQQQVSAP HTLTADYINY DATA SEQUENCE HMNLSPTSGS AVIEKVIPLG VYASSPPNQS INIDISACDA SITWDFFLSV DATA SEQUENCE IMAAIHEGVA SSSIGKPFMG VPASIVNDES VVGVRAARPI SGMQNMIQHL DATA SEQUENCE SKLYKRGFSY RVNDSFSPGN DFTHMTTTFP SGSTATSTEH TANNSTMMET DATA SEQUENCE FLTVWGPEHT DDPDVLRLMK SLTIQRNYVC QGDDGLMIID GTTAGKVNSE DATA SEQUENCE TIQNDLELIS KYGEEFGWKY DIAYDGTAEY LKLYFIFGCR IPNLSRHPIV DATA SEQUENCE GKERANSSAE EPWPAILDQI MGVFFNGVHD GLQWQRWIRY SWALCCAFSR DATA SEQUENCE QRTMIGESVG YLQYPMWSFV YWGLPLVKAF GSDPWIFSWY MPTGDLGMYS DATA SEQUENCE WISLIRPLMT RWMVANGYVT DRCSTVFGNA DYRRCFNELK LYQGYYMAQL DATA SEQUENCE PRNPKKSGRA ASREVREQFT QALSDYLMQN PELKSRVLRG RSEWEKYGAG DATA SEQUENCE IIHNPPSLFD VPHKWYQGAQ EAAIATREEL AEMDETLMRA RRHSYSSFSK DATA SEQUENCE LLEAYLLVKW RMCEAREPSV DLRLPLCAGI DPLNSDPFLK MVSVGPMLQS DATA SEQUENCE TRKYFAQTLF MAKTVSGLDV NAIDSALLRL RTLGADKKAL TAQLLMVGLQ DATA SEQUENCE ESEADALAGK IMLQDVNTVQ LARVVNLAVP DTWMSLDFDS MFKHHVKLLP DATA SEQUENCE KDGRHLNTDI PPRMGWLRAI LRFLGAGMVM TATGVAVDIY LEDIHGGGRS DATA SEQUENCE LGQRFMTWMR QEGR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.628 174.600 0.046 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.201 63.200 0.002 0.000 0.593 3 S N 1.511 117.236 115.700 0.041 0.000 2.402 3 S HA 0.005 4.476 4.470 0.001 0.000 0.229 3 S C 1.727 176.360 174.600 0.055 0.000 1.021 3 S CA 1.339 59.560 58.200 0.036 0.000 0.974 3 S CB -0.305 62.908 63.200 0.022 0.000 0.800 3 S HN 0.627 nan 8.310 nan 0.000 0.484 4 M N 0.871 120.519 119.600 0.079 0.000 2.117 4 M HA -0.086 4.395 4.480 0.001 0.000 0.262 4 M C 1.519 177.937 176.300 0.196 0.000 1.065 4 M CA 1.498 56.867 55.300 0.115 0.000 1.114 4 M CB -0.136 32.549 32.600 0.141 0.000 1.361 4 M HN 0.206 nan 8.290 nan 0.000 0.408 5 I N 0.508 121.199 120.570 0.202 0.000 2.286 5 I HA -0.227 3.943 4.170 0.001 0.000 0.245 5 I C 2.309 178.564 176.117 0.231 0.000 1.104 5 I CA 1.228 62.678 61.300 0.250 0.000 1.397 5 I CB -1.242 36.826 38.000 0.113 0.000 1.072 5 I HN 0.400 nan 8.210 nan 0.000 0.417 6 L N 0.121 121.416 121.223 0.121 0.000 1.994 6 L HA -0.221 4.119 4.340 0.001 0.000 0.208 6 L C 2.581 179.481 176.870 0.051 0.000 1.071 6 L CA 1.598 56.487 54.840 0.082 0.000 0.745 6 L CB -0.936 41.148 42.059 0.042 0.000 0.892 6 L HN 0.206 nan 8.230 nan 0.000 0.431 7 T N -0.976 113.593 114.554 0.026 0.000 2.665 7 T HA -0.260 4.091 4.350 0.001 0.000 0.268 7 T C 1.893 176.543 174.700 -0.084 0.000 1.035 7 T CA 1.369 63.457 62.100 -0.021 0.000 1.151 7 T CB -0.162 68.693 68.868 -0.022 0.000 0.862 7 T HN 0.327 nan 8.240 nan 0.000 0.438 8 Q N -0.616 119.107 119.800 -0.129 0.000 2.187 8 Q HA 0.065 4.406 4.340 0.001 0.000 0.199 8 Q C 1.178 176.746 176.000 -0.720 0.000 0.957 8 Q CA 1.027 56.575 55.803 -0.426 0.000 0.857 8 Q CB 0.043 28.488 28.738 -0.489 0.000 0.929 8 Q HN 0.582 nan 8.270 nan 0.000 0.453 9 F N -1.417 118.484 119.950 -0.083 0.000 2.729 9 F HA 0.277 4.804 4.527 0.001 0.000 0.315 9 F C 1.774 177.581 175.800 0.012 0.000 1.102 9 F CA -0.066 57.895 58.000 -0.065 0.000 1.204 9 F CB -0.044 38.895 39.000 -0.102 0.000 1.052 9 F HN -0.008 nan 8.300 nan 0.000 0.551 10 G N 2.684 111.541 108.800 0.094 0.000 2.855 10 G HA2 -0.320 3.640 3.960 0.001 0.000 0.227 10 G HA3 -0.320 3.640 3.960 0.001 0.000 0.227 10 G C -0.544 174.390 174.900 0.058 0.000 1.245 10 G CA 1.441 46.576 45.100 0.059 0.000 0.781 10 G HN 0.201 nan 8.290 nan 0.000 0.666 11 P HA -0.140 nan 4.420 nan 0.000 0.216 11 P C 1.702 179.044 177.300 0.070 0.000 1.153 11 P CA 1.264 64.389 63.100 0.042 0.000 0.858 11 P CB -0.167 31.554 31.700 0.035 0.000 0.789 12 F N 0.102 120.036 119.950 -0.026 0.000 2.102 12 F HA -0.147 4.380 4.527 0.001 0.000 0.298 12 F C 2.045 177.822 175.800 -0.039 0.000 1.105 12 F CA 1.247 59.230 58.000 -0.029 0.000 1.239 12 F CB -1.003 38.012 39.000 0.025 0.000 0.991 12 F HN -0.231 nan 8.300 nan 0.000 0.474 13 I N 0.387 120.877 120.570 -0.133 0.000 2.194 13 I HA -0.330 3.840 4.170 0.001 0.000 0.246 13 I C 2.274 178.259 176.117 -0.220 0.000 1.093 13 I CA 1.867 63.032 61.300 -0.225 0.000 1.355 13 I CB -0.554 37.422 38.000 -0.041 0.000 1.046 13 I HN 0.265 nan 8.210 nan 0.000 0.413 14 E N 0.286 120.403 120.200 -0.139 0.000 2.152 14 E HA -0.160 4.190 4.350 0.001 0.000 0.192 14 E C 2.276 178.766 176.600 -0.183 0.000 0.983 14 E CA 1.483 57.814 56.400 -0.115 0.000 0.818 14 E CB -0.038 29.624 29.700 -0.063 0.000 0.758 14 E HN 0.559 nan 8.360 nan 0.000 0.467 15 S N 1.337 116.886 115.700 -0.252 0.000 2.428 15 S HA -0.096 4.374 4.470 0.001 0.000 0.230 15 S C 2.018 176.334 174.600 -0.474 0.000 1.014 15 S CA 0.768 58.773 58.200 -0.325 0.000 0.957 15 S CB -0.533 62.498 63.200 -0.282 0.000 0.784 15 S HN 0.426 nan 8.310 nan 0.000 0.499 16 I N -1.843 118.406 120.570 -0.535 0.000 3.928 16 I HA 0.422 4.592 4.170 0.001 0.000 0.335 16 I C 0.972 176.944 176.117 -0.242 0.000 1.325 16 I CA -0.153 60.831 61.300 -0.526 0.000 1.107 16 I CB 0.248 37.881 38.000 -0.611 0.000 1.014 16 I HN 0.068 nan 8.210 nan 0.000 0.400 17 S N 1.069 116.679 115.700 -0.150 0.000 2.559 17 S HA 0.371 4.841 4.470 0.001 0.000 0.226 17 S C 1.445 176.140 174.600 0.159 0.000 1.000 17 S CA 0.466 58.720 58.200 0.091 0.000 0.948 17 S CB 0.552 63.780 63.200 0.047 0.000 0.870 17 S HN 0.808 nan 8.310 nan 0.000 0.497 18 G N 1.623 110.357 108.800 -0.110 0.000 2.143 18 G HA2 -0.250 3.710 3.960 0.001 0.000 0.248 18 G HA3 -0.250 3.710 3.960 0.001 0.000 0.248 18 G C 0.605 175.484 174.900 -0.035 0.000 0.991 18 G CA 0.542 45.553 45.100 -0.147 0.000 0.689 18 G HN 0.546 nan 8.290 nan 0.000 0.522 19 I N -0.742 119.804 120.570 -0.039 0.000 2.867 19 I HA 0.193 4.364 4.170 0.001 0.000 0.265 19 I C 1.419 177.508 176.117 -0.047 0.000 1.162 19 I CA 1.455 62.745 61.300 -0.017 0.000 1.471 19 I CB 0.536 38.532 38.000 -0.005 0.000 1.123 19 I HN 0.266 nan 8.210 nan 0.000 0.440 20 T N -0.644 113.855 114.554 -0.091 0.000 2.896 20 T HA 0.253 4.603 4.350 0.001 0.000 0.297 20 T C -1.157 173.451 174.700 -0.152 0.000 1.108 20 T CA -0.685 61.360 62.100 -0.091 0.000 1.004 20 T CB 1.477 70.303 68.868 -0.070 0.000 1.159 20 T HN -0.157 nan 8.240 nan 0.000 0.499 21 D N 2.127 122.445 120.400 -0.138 0.000 2.368 21 D HA 0.230 4.871 4.640 0.001 0.000 0.240 21 D C 0.342 176.480 176.300 -0.270 0.000 1.169 21 D CA 0.341 54.213 54.000 -0.212 0.000 0.906 21 D CB 0.553 41.234 40.800 -0.198 0.000 1.187 21 D HN 0.387 nan 8.370 nan 0.000 0.435 22 Q N 0.072 119.642 119.800 -0.383 0.000 2.227 22 Q HA 0.576 4.916 4.340 0.001 0.000 0.245 22 Q C -0.561 175.199 176.000 -0.400 0.000 0.926 22 Q CA -0.573 54.962 55.803 -0.447 0.000 0.895 22 Q CB 1.506 29.830 28.738 -0.690 0.000 1.230 22 Q HN 0.516 nan 8.270 nan 0.000 0.450 23 S N -0.296 115.220 115.700 -0.306 0.000 2.542 23 S HA 0.174 4.645 4.470 0.001 0.000 0.276 23 S C -0.115 174.432 174.600 -0.090 0.000 1.148 23 S CA -0.884 57.209 58.200 -0.178 0.000 0.886 23 S CB 1.196 64.359 63.200 -0.061 0.000 1.109 23 S HN 0.710 nan 8.310 nan 0.000 0.458 24 N N 1.336 120.034 118.700 -0.003 0.000 2.205 24 N HA -0.117 4.623 4.740 0.001 0.000 0.186 24 N C 1.012 176.628 175.510 0.176 0.000 1.015 24 N CA 2.021 55.133 53.050 0.102 0.000 0.862 24 N CB -0.175 38.463 38.487 0.252 0.000 0.986 24 N HN 0.656 nan 8.380 nan 0.000 0.429 25 D N -0.704 119.778 120.400 0.136 0.000 2.117 25 D HA -0.102 4.538 4.640 0.001 0.000 0.197 25 D C 1.917 178.262 176.300 0.075 0.000 0.987 25 D CA 0.845 54.911 54.000 0.109 0.000 0.829 25 D CB -0.240 40.619 40.800 0.098 0.000 0.961 25 D HN 0.113 nan 8.370 nan 0.000 0.460 26 V N 0.986 120.945 119.914 0.076 0.000 2.307 26 V HA -0.202 3.918 4.120 0.001 0.000 0.245 26 V C 2.172 178.293 176.094 0.045 0.000 1.045 26 V CA 1.106 63.445 62.300 0.065 0.000 1.024 26 V CB -0.564 31.314 31.823 0.093 0.000 0.651 26 V HN 0.049 nan 8.190 nan 0.000 0.449 27 F N 1.557 121.470 119.950 -0.061 0.000 2.043 27 F HA -0.228 4.299 4.527 0.001 0.000 0.297 27 F C 2.503 178.218 175.800 -0.142 0.000 1.121 27 F CA 2.286 60.204 58.000 -0.136 0.000 1.199 27 F CB -0.336 38.602 39.000 -0.103 0.000 0.968 27 F HN 0.209 nan 8.300 nan 0.000 0.478 28 E N -0.494 119.736 120.200 0.050 0.000 2.204 28 E HA -0.214 4.137 4.350 0.001 0.000 0.195 28 E C 1.801 178.314 176.600 -0.145 0.000 0.990 28 E CA 1.146 57.526 56.400 -0.033 0.000 0.821 28 E CB -0.308 29.475 29.700 0.138 0.000 0.750 28 E HN 0.542 nan 8.360 nan 0.000 0.477 29 D N 0.444 120.763 120.400 -0.135 0.000 2.149 29 D HA -0.052 4.588 4.640 0.001 0.000 0.201 29 D C 1.918 178.060 176.300 -0.263 0.000 0.972 29 D CA 0.871 54.773 54.000 -0.163 0.000 0.835 29 D CB 0.118 40.850 40.800 -0.115 0.000 0.966 29 D HN 0.114 nan 8.370 nan 0.000 0.476 30 A N 1.240 123.843 122.820 -0.362 0.000 1.898 30 A HA -0.016 4.304 4.320 0.001 0.000 0.216 30 A C 2.338 179.746 177.584 -0.294 0.000 1.181 30 A CA 1.854 53.622 52.037 -0.448 0.000 0.620 30 A CB -0.559 17.863 19.000 -0.964 0.000 0.819 30 A HN 0.218 nan 8.150 nan 0.000 0.442 31 A N -0.004 122.593 122.820 -0.372 0.000 1.883 31 A HA -0.227 4.093 4.320 0.001 0.000 0.217 31 A C 2.161 179.679 177.584 -0.110 0.000 1.186 31 A CA 2.116 54.028 52.037 -0.209 0.000 0.624 31 A CB -0.509 18.304 19.000 -0.312 0.000 0.822 31 A HN 0.540 nan 8.150 nan 0.000 0.444 32 K N -0.451 119.843 120.400 -0.177 0.000 2.097 32 K HA -0.072 4.248 4.320 0.001 0.000 0.206 32 K C 2.134 178.635 176.600 -0.165 0.000 1.049 32 K CA 1.143 57.314 56.287 -0.194 0.000 0.933 32 K CB -0.303 32.072 32.500 -0.208 0.000 0.717 32 K HN 0.386 nan 8.250 nan 0.000 0.442 33 A N 0.615 123.310 122.820 -0.208 0.000 1.898 33 A HA -0.117 4.203 4.320 0.001 0.000 0.216 33 A C 1.871 179.451 177.584 -0.008 0.000 1.181 33 A CA 1.123 53.002 52.037 -0.263 0.000 0.620 33 A CB -0.718 17.841 19.000 -0.735 0.000 0.819 33 A HN 0.315 nan 8.150 nan 0.000 0.442 34 F N 0.430 120.429 119.950 0.081 0.000 2.095 34 F HA -0.139 4.389 4.527 0.001 0.000 0.298 34 F C 2.898 178.676 175.800 -0.036 0.000 1.104 34 F CA 1.630 59.643 58.000 0.021 0.000 1.232 34 F CB -0.669 38.214 39.000 -0.194 0.000 0.987 34 F HN 0.160 nan 8.300 nan 0.000 0.475 35 S N -0.636 115.118 115.700 0.090 0.000 2.419 35 S HA -0.139 4.331 4.470 0.001 0.000 0.233 35 S C 1.801 176.397 174.600 -0.007 0.000 1.016 35 S CA 1.041 59.229 58.200 -0.020 0.000 0.974 35 S CB -0.272 62.851 63.200 -0.128 0.000 0.786 35 S HN 0.283 nan 8.310 nan 0.000 0.492 36 M N -0.487 119.118 119.600 0.009 0.000 2.428 36 M HA 0.230 4.710 4.480 0.001 0.000 0.239 36 M C -0.485 175.833 176.300 0.031 0.000 1.121 36 M CA -0.022 55.269 55.300 -0.015 0.000 1.019 36 M CB 0.175 32.726 32.600 -0.082 0.000 1.485 36 M HN 0.110 nan 8.290 nan 0.000 0.484 37 F N 2.242 122.175 119.950 -0.030 0.000 2.472 37 F HA 0.111 4.638 4.527 0.001 0.000 0.364 37 F C 1.333 177.133 175.800 -0.000 0.000 1.090 37 F CA -0.284 57.716 58.000 -0.001 0.000 1.188 37 F CB 0.712 39.745 39.000 0.055 0.000 1.105 37 F HN 0.009 nan 8.300 nan 0.000 0.536 38 T N 2.562 117.123 114.554 0.012 0.000 2.882 38 T HA 0.314 4.665 4.350 0.001 0.000 0.287 38 T C 1.489 176.265 174.700 0.126 0.000 1.014 38 T CA -0.720 61.406 62.100 0.043 0.000 1.049 38 T CB 1.180 70.039 68.868 -0.014 0.000 1.001 38 T HN 0.706 nan 8.240 nan 0.000 0.525 39 R N 1.072 121.644 120.500 0.120 0.000 2.097 39 R HA -0.113 4.227 4.340 0.001 0.000 0.236 39 R C 2.805 179.272 176.300 0.278 0.000 1.135 39 R CA 1.920 58.124 56.100 0.175 0.000 0.934 39 R CB -0.984 29.415 30.300 0.164 0.000 0.846 39 R HN 0.699 nan 8.270 nan 0.000 0.431 40 S N 0.840 116.697 115.700 0.263 0.000 2.440 40 S HA -0.124 4.346 4.470 0.001 0.000 0.238 40 S C 1.208 175.967 174.600 0.264 0.000 1.010 40 S CA 1.161 59.553 58.200 0.320 0.000 0.972 40 S CB -0.224 63.076 63.200 0.166 0.000 0.774 40 S HN 0.284 nan 8.310 nan 0.000 0.501 41 D N 0.898 121.394 120.400 0.161 0.000 2.178 41 D HA -0.020 4.620 4.640 0.001 0.000 0.202 41 D C 1.910 178.384 176.300 0.289 0.000 0.974 41 D CA 0.618 54.678 54.000 0.101 0.000 0.841 41 D CB -0.142 40.518 40.800 -0.233 0.000 0.953 41 D HN 0.232 nan 8.370 nan 0.000 0.478 42 V N 0.584 120.671 119.914 0.288 0.000 2.515 42 V HA -0.236 3.884 4.120 0.001 0.000 0.250 42 V C 1.906 178.012 176.094 0.021 0.000 1.058 42 V CA 1.267 63.649 62.300 0.137 0.000 1.064 42 V CB -0.620 31.157 31.823 -0.076 0.000 0.675 42 V HN 0.178 nan 8.190 nan 0.000 0.461 43 Y N 0.582 121.006 120.300 0.206 0.000 2.314 43 Y HA -0.091 4.460 4.550 0.001 0.000 0.293 43 Y C 2.414 178.406 175.900 0.153 0.000 1.129 43 Y CA 1.088 59.298 58.100 0.183 0.000 1.201 43 Y CB -0.362 38.181 38.460 0.138 0.000 0.999 43 Y HN 0.190 nan 8.280 nan 0.000 0.541 44 K N -0.112 120.448 120.400 0.266 0.000 2.057 44 K HA -0.116 4.204 4.320 0.001 0.000 0.206 44 K C 2.420 179.125 176.600 0.175 0.000 1.050 44 K CA 1.081 57.477 56.287 0.183 0.000 0.935 44 K CB -0.385 32.191 32.500 0.127 0.000 0.715 44 K HN 0.251 nan 8.250 nan 0.000 0.439 45 A N 1.749 124.690 122.820 0.201 0.000 1.908 45 A HA -0.152 4.169 4.320 0.001 0.000 0.218 45 A C 2.139 179.814 177.584 0.152 0.000 1.181 45 A CA 1.308 53.455 52.037 0.182 0.000 0.627 45 A CB -0.737 18.390 19.000 0.211 0.000 0.818 45 A HN 0.168 nan 8.150 nan 0.000 0.445 46 L N -0.491 120.838 121.223 0.177 0.000 2.131 46 L HA -0.197 4.143 4.340 0.001 0.000 0.210 46 L C 1.871 178.899 176.870 0.263 0.000 1.092 46 L CA 1.395 56.373 54.840 0.230 0.000 0.759 46 L CB -0.674 41.556 42.059 0.285 0.000 0.903 46 L HN 0.359 nan 8.230 nan 0.000 0.435 47 D N 0.086 120.617 120.400 0.219 0.000 2.219 47 D HA -0.154 4.486 4.640 0.001 0.000 0.205 47 D C 1.921 178.316 176.300 0.159 0.000 0.970 47 D CA 0.928 55.044 54.000 0.195 0.000 0.851 47 D CB 0.022 40.912 40.800 0.150 0.000 0.943 47 D HN 0.467 nan 8.370 nan 0.000 0.488 48 E N 0.190 120.464 120.200 0.123 0.000 2.409 48 E HA -0.026 4.324 4.350 0.001 0.000 0.198 48 E C 0.630 177.255 176.600 0.041 0.000 1.024 48 E CA 0.138 56.585 56.400 0.078 0.000 0.861 48 E CB 0.328 30.067 29.700 0.066 0.000 0.788 48 E HN 0.338 nan 8.360 nan 0.000 0.521 49 I N 3.844 124.432 120.570 0.030 0.000 2.452 49 I HA 0.033 4.203 4.170 0.001 0.000 0.287 49 I C -1.814 174.233 176.117 -0.117 0.000 1.079 49 I CA -1.701 59.513 61.300 -0.143 0.000 1.387 49 I CB 0.637 38.401 38.000 -0.393 0.000 1.404 49 I HN -0.197 nan 8.210 nan 0.000 0.522 50 P HA 0.096 nan 4.420 nan 0.000 0.226 50 P C -0.380 176.871 177.300 -0.081 0.000 1.783 50 P CA -0.238 62.832 63.100 -0.050 0.000 0.980 50 P CB -0.446 31.218 31.700 -0.061 0.000 1.967 51 F N 0.895 120.880 119.950 0.060 0.000 2.629 51 F HA -0.015 4.513 4.527 0.001 0.000 0.369 51 F C 1.794 177.557 175.800 -0.062 0.000 1.125 51 F CA 0.892 58.910 58.000 0.030 0.000 1.330 51 F CB 0.226 39.357 39.000 0.218 0.000 1.071 51 F HN 0.121 nan 8.300 nan 0.000 0.595 52 S N 1.594 117.318 115.700 0.040 0.000 2.652 52 S HA 0.128 4.598 4.470 0.001 0.000 0.270 52 S C 1.030 175.617 174.600 -0.023 0.000 1.243 52 S CA -0.874 57.318 58.200 -0.013 0.000 0.999 52 S CB 0.796 63.966 63.200 -0.051 0.000 0.973 52 S HN 0.645 nan 8.310 nan 0.000 0.544 53 D N 1.569 121.952 120.400 -0.028 0.000 2.178 53 D HA -0.134 4.506 4.640 0.001 0.000 0.201 53 D C 1.316 177.547 176.300 -0.115 0.000 0.980 53 D CA 1.749 55.691 54.000 -0.095 0.000 0.842 53 D CB -0.347 40.423 40.800 -0.049 0.000 0.948 53 D HN 0.864 nan 8.370 nan 0.000 0.472 54 D N 0.764 121.154 120.400 -0.017 0.000 2.263 54 D HA -0.096 4.544 4.640 0.001 0.000 0.208 54 D C 1.601 177.887 176.300 -0.024 0.000 0.971 54 D CA 0.978 54.979 54.000 0.001 0.000 0.867 54 D CB -0.249 40.594 40.800 0.072 0.000 0.929 54 D HN 0.095 nan 8.370 nan 0.000 0.492 55 A N -0.618 122.172 122.820 -0.051 0.000 2.251 55 A HA 0.287 4.607 4.320 0.001 0.000 0.209 55 A C 0.801 178.152 177.584 -0.389 0.000 1.187 55 A CA -0.088 51.909 52.037 -0.067 0.000 0.823 55 A CB -0.409 18.666 19.000 0.124 0.000 0.846 55 A HN 0.230 nan 8.150 nan 0.000 0.486 56 M N 0.398 119.636 119.600 -0.603 0.000 2.578 56 M HA 0.686 5.167 4.480 0.001 0.000 0.321 56 M C -0.703 175.319 176.300 -0.464 0.000 1.182 56 M CA -0.646 54.015 55.300 -1.065 0.000 0.965 56 M CB 2.045 33.834 32.600 -1.351 0.000 1.694 56 M HN 0.293 nan 8.290 nan 0.000 0.461 57 L N -0.532 120.511 121.223 -0.300 0.000 2.556 57 L HA 0.735 5.075 4.340 0.001 0.000 0.257 57 L C -2.911 174.018 176.870 0.099 0.000 0.955 57 L CA -2.126 52.690 54.840 -0.039 0.000 0.850 57 L CB 1.430 43.508 42.059 0.031 0.000 1.398 57 L HN 0.356 nan 8.230 nan 0.000 0.412 58 P HA 0.197 nan 4.420 nan 0.000 0.256 58 P C -0.725 176.642 177.300 0.111 0.000 1.173 58 P CA 0.592 63.753 63.100 0.101 0.000 0.768 58 P CB 0.240 31.977 31.700 0.061 0.000 0.758 59 I N 6.440 127.084 120.570 0.124 0.000 2.297 59 I HA 0.190 4.361 4.170 0.001 0.000 0.291 59 I C -1.840 174.263 176.117 -0.024 0.000 1.033 59 I CA -2.386 58.948 61.300 0.057 0.000 1.253 59 I CB 1.089 39.131 38.000 0.070 0.000 1.396 59 I HN 0.149 nan 8.210 nan 0.000 0.476 60 P HA 0.036 nan 4.420 nan 0.000 0.258 60 P C -2.078 175.126 177.300 -0.160 0.000 1.172 60 P CA -0.650 62.371 63.100 -0.130 0.000 0.762 60 P CB 0.111 31.692 31.700 -0.198 0.000 0.764 61 P HA -0.137 nan 4.420 nan 0.000 0.220 61 P C 1.150 178.434 177.300 -0.026 0.000 1.148 61 P CA 1.324 64.427 63.100 0.006 0.000 0.803 61 P CB -0.246 31.481 31.700 0.044 0.000 0.782 62 T N -3.478 111.029 114.554 -0.078 0.000 3.113 62 T HA 0.002 4.352 4.350 0.001 0.000 0.263 62 T C 1.645 176.269 174.700 -0.127 0.000 1.143 62 T CA 0.487 62.546 62.100 -0.069 0.000 1.090 62 T CB -1.052 67.776 68.868 -0.067 0.000 0.922 62 T HN 0.092 nan 8.240 nan 0.000 0.521 63 I N -0.430 119.969 120.570 -0.284 0.000 2.676 63 I HA -0.048 4.123 4.170 0.001 0.000 0.259 63 I C 1.490 177.390 176.117 -0.363 0.000 1.194 63 I CA 1.095 62.162 61.300 -0.388 0.000 1.473 63 I CB -0.121 37.516 38.000 -0.605 0.000 1.096 63 I HN 0.250 nan 8.210 nan 0.000 0.443 64 Y N -0.101 120.194 120.300 -0.008 0.000 2.509 64 Y HA 0.063 4.613 4.550 0.001 0.000 0.270 64 Y C 1.465 177.393 175.900 0.046 0.000 1.103 64 Y CA -0.158 57.962 58.100 0.034 0.000 1.278 64 Y CB -0.247 38.250 38.460 0.062 0.000 1.087 64 Y HN 0.014 nan 8.280 nan 0.000 0.542 65 T N -0.312 114.336 114.554 0.157 0.000 2.801 65 T HA 0.545 4.895 4.350 0.001 0.000 0.306 65 T C -0.501 174.238 174.700 0.065 0.000 1.020 65 T CA -0.807 61.357 62.100 0.107 0.000 0.948 65 T CB 1.140 70.062 68.868 0.089 0.000 0.962 65 T HN -0.236 nan 8.240 nan 0.000 0.465 66 K N 3.533 123.974 120.400 0.067 0.000 2.340 66 K HA 0.661 4.981 4.320 0.001 0.000 0.244 66 K C -2.519 174.116 176.600 0.059 0.000 0.973 66 K CA -2.306 54.015 56.287 0.057 0.000 0.828 66 K CB 1.627 34.161 32.500 0.056 0.000 1.226 66 K HN 0.353 nan 8.250 nan 0.000 0.437 67 P HA 0.090 nan 4.420 nan 0.000 0.288 67 P C -0.304 177.036 177.300 0.067 0.000 1.291 67 P CA -0.437 62.701 63.100 0.064 0.000 0.766 67 P CB 0.386 32.137 31.700 0.086 0.000 1.242 68 S N -0.862 114.856 115.700 0.030 0.000 2.601 68 S HA 0.086 4.556 4.470 0.001 0.000 0.271 68 S C 1.459 176.053 174.600 -0.011 0.000 1.305 68 S CA -0.317 57.883 58.200 -0.001 0.000 1.022 68 S CB -0.023 63.138 63.200 -0.066 0.000 0.940 68 S HN 0.592 nan 8.310 nan 0.000 0.525 69 H N 3.093 122.080 119.070 -0.137 0.000 2.423 69 H HA -0.081 4.476 4.556 0.001 0.000 0.297 69 H C 1.542 176.954 175.328 0.141 0.000 1.075 69 H CA 1.705 57.636 56.048 -0.195 0.000 1.342 69 H CB -1.026 28.180 29.762 -0.926 0.000 1.395 69 H HN 0.819 nan 8.280 nan 0.000 0.530 70 D N 2.346 122.167 120.400 -0.965 0.000 2.200 70 D HA -0.241 4.400 4.640 0.001 0.000 0.192 70 D C 1.932 178.173 176.300 -0.099 0.000 1.008 70 D CA 2.623 56.329 54.000 -0.490 0.000 0.872 70 D CB -0.925 39.621 40.800 -0.423 0.000 0.923 70 D HN 0.530 nan 8.370 nan 0.000 0.447 71 S N -1.505 114.110 115.700 -0.142 0.000 2.555 71 S HA -0.079 4.391 4.470 0.001 0.000 0.230 71 S C 1.411 175.921 174.600 -0.150 0.000 0.978 71 S CA -0.007 58.091 58.200 -0.170 0.000 0.934 71 S CB -0.744 62.260 63.200 -0.327 0.000 0.766 71 S HN 0.340 nan 8.310 nan 0.000 0.533 72 Y N 0.194 120.523 120.300 0.047 0.000 2.457 72 Y HA 0.459 5.009 4.550 0.001 0.000 0.263 72 Y C 0.150 175.873 175.900 -0.295 0.000 1.164 72 Y CA -0.695 57.387 58.100 -0.030 0.000 1.274 72 Y CB 0.017 38.366 38.460 -0.185 0.000 1.097 72 Y HN 0.244 nan 8.280 nan 0.000 0.523 73 Y N -1.105 119.333 120.300 0.229 0.000 2.698 73 Y HA 0.536 5.086 4.550 0.001 0.000 0.332 73 Y C -0.640 175.406 175.900 0.244 0.000 1.119 73 Y CA -2.061 56.160 58.100 0.201 0.000 1.109 73 Y CB 1.757 40.312 38.460 0.160 0.000 1.308 73 Y HN -0.091 nan 8.280 nan 0.000 0.499 74 Y N -1.705 118.731 120.300 0.225 0.000 2.774 74 Y HA 0.644 5.195 4.550 0.001 0.000 0.346 74 Y C -2.491 173.463 175.900 0.089 0.000 1.222 74 Y CA -1.713 56.450 58.100 0.105 0.000 1.088 74 Y CB 0.629 39.108 38.460 0.033 0.000 1.354 74 Y HN 0.323 nan 8.280 nan 0.000 0.455 75 I N 3.688 124.300 120.570 0.069 0.000 2.354 75 I HA 0.244 4.414 4.170 0.001 0.000 0.292 75 I C -0.483 175.661 176.117 0.045 0.000 0.989 75 I CA -0.499 60.768 61.300 -0.056 0.000 1.188 75 I CB 0.974 38.990 38.000 0.027 0.000 1.342 75 I HN 0.825 nan 8.210 nan 0.000 0.457 76 D N 5.080 125.420 120.400 -0.101 0.000 2.433 76 D HA 0.274 4.914 4.640 0.001 0.000 0.255 76 D C 1.115 177.446 176.300 0.051 0.000 1.226 76 D CA -0.524 53.525 54.000 0.082 0.000 1.015 76 D CB 0.752 41.555 40.800 0.004 0.000 1.091 76 D HN 0.482 nan 8.370 nan 0.000 0.527 77 A N -0.545 122.311 122.820 0.059 0.000 2.131 77 A HA -0.065 4.255 4.320 0.001 0.000 0.220 77 A C 1.938 179.522 177.584 0.001 0.000 1.158 77 A CA 0.895 52.950 52.037 0.030 0.000 0.665 77 A CB -0.781 18.237 19.000 0.029 0.000 0.795 77 A HN 0.552 nan 8.150 nan 0.000 0.460 78 L N -1.605 119.599 121.223 -0.032 0.000 2.700 78 L HA 0.133 4.474 4.340 0.001 0.000 0.234 78 L C 0.926 177.760 176.870 -0.060 0.000 1.156 78 L CA 0.269 55.074 54.840 -0.059 0.000 0.946 78 L CB -0.236 41.749 42.059 -0.123 0.000 1.216 78 L HN 0.496 nan 8.230 nan 0.000 0.493 79 N N 1.279 119.955 118.700 -0.040 0.000 2.863 79 N HA -0.205 4.536 4.740 0.001 0.000 0.245 79 N C 0.156 175.637 175.510 -0.048 0.000 1.001 79 N CA 0.928 53.961 53.050 -0.028 0.000 0.901 79 N CB -0.492 37.993 38.487 -0.004 0.000 1.124 79 N HN 0.464 nan 8.380 nan 0.000 0.582 80 R N -0.455 119.983 120.500 -0.104 0.000 2.357 80 R HA 0.538 4.879 4.340 0.001 0.000 0.296 80 R C 0.016 176.236 176.300 -0.132 0.000 1.052 80 R CA -0.794 55.242 56.100 -0.107 0.000 0.988 80 R CB 1.161 31.337 30.300 -0.206 0.000 1.025 80 R HN -0.076 nan 8.270 nan 0.000 0.469 81 V N 3.843 123.712 119.914 -0.075 0.000 2.673 81 V HA 0.077 4.197 4.120 0.001 0.000 0.303 81 V C 0.482 176.506 176.094 -0.116 0.000 1.046 81 V CA 0.385 62.631 62.300 -0.089 0.000 1.126 81 V CB 0.286 32.086 31.823 -0.039 0.000 0.934 81 V HN 0.663 nan 8.190 nan 0.000 0.487 82 R N 2.909 123.264 120.500 -0.241 0.000 2.795 82 R HA 0.515 4.855 4.340 0.001 0.000 0.275 82 R C -0.669 175.617 176.300 -0.023 0.000 0.981 82 R CA -1.344 54.598 56.100 -0.264 0.000 0.917 82 R CB 1.761 31.639 30.300 -0.704 0.000 1.202 82 R HN 0.596 nan 8.270 nan 0.000 0.469 83 R N 1.526 122.058 120.500 0.054 0.000 2.340 83 R HA 0.130 4.471 4.340 0.001 0.000 0.300 83 R C -0.361 175.981 176.300 0.071 0.000 1.069 83 R CA 0.039 56.122 56.100 -0.028 0.000 0.984 83 R CB 0.552 30.815 30.300 -0.062 0.000 1.003 83 R HN 0.224 nan 8.270 nan 0.000 0.459 84 K N 3.546 123.972 120.400 0.044 0.000 2.262 84 K HA 0.167 4.487 4.320 0.001 0.000 0.282 84 K C -0.868 175.530 176.600 -0.337 0.000 1.066 84 K CA -0.170 56.101 56.287 -0.028 0.000 0.901 84 K CB 1.010 33.479 32.500 -0.051 0.000 1.089 84 K HN 0.699 nan 8.250 nan 0.000 0.476 85 T N 4.282 118.628 114.554 -0.346 0.000 2.901 85 T HA 0.126 4.477 4.350 0.001 0.000 0.301 85 T C 0.255 174.596 174.700 -0.599 0.000 1.012 85 T CA 0.372 62.259 62.100 -0.356 0.000 1.135 85 T CB 0.196 68.948 68.868 -0.194 0.000 0.936 85 T HN 0.480 nan 8.240 nan 0.000 0.539 86 Y N 0.358 120.585 120.300 -0.121 0.000 2.731 86 Y HA 0.198 4.748 4.550 0.001 0.000 0.269 86 Y C 2.157 177.972 175.900 -0.143 0.000 1.156 86 Y CA -0.397 57.630 58.100 -0.121 0.000 1.191 86 Y CB 0.346 38.743 38.460 -0.104 0.000 1.382 86 Y HN 0.392 nan 8.280 nan 0.000 0.477 87 Q N 0.749 120.477 119.800 -0.120 0.000 2.320 87 Q HA 0.436 4.777 4.340 0.001 0.000 0.201 87 Q C 0.595 176.576 176.000 -0.031 0.000 0.910 87 Q CA 0.734 56.416 55.803 -0.200 0.000 0.946 87 Q CB 0.913 29.149 28.738 -0.837 0.000 1.062 87 Q HN 0.528 nan 8.270 nan 0.000 0.503 88 G N 0.455 109.238 108.800 -0.028 0.000 2.355 88 G HA2 -0.084 3.876 3.960 0.001 0.000 0.619 88 G HA3 -0.084 3.876 3.960 0.001 0.000 0.619 88 G C -2.527 172.404 174.900 0.052 0.000 1.337 88 G CA -0.856 44.284 45.100 0.066 0.000 0.993 88 G HN -0.168 nan 8.290 nan 0.000 0.599 89 P HA -0.059 nan 4.420 nan 0.000 0.217 89 P C 1.215 178.574 177.300 0.100 0.000 1.148 89 P CA 1.670 64.810 63.100 0.068 0.000 0.834 89 P CB 0.145 31.890 31.700 0.076 0.000 0.783 90 D N -0.860 119.669 120.400 0.215 0.000 2.117 90 D HA -0.122 4.518 4.640 0.001 0.000 0.198 90 D C 0.589 177.072 176.300 0.305 0.000 0.982 90 D CA 0.963 55.169 54.000 0.344 0.000 0.828 90 D CB -0.821 40.343 40.800 0.607 0.000 0.967 90 D HN 0.141 nan 8.370 nan 0.000 0.464 91 D N 0.543 120.976 120.400 0.056 0.000 2.641 91 D HA -0.063 4.577 4.640 0.001 0.000 0.241 91 D C 0.467 176.719 176.300 -0.080 0.000 1.182 91 D CA 0.198 54.065 54.000 -0.222 0.000 1.329 91 D CB -0.158 40.350 40.800 -0.487 0.000 1.139 91 D HN -0.146 nan 8.370 nan 0.000 0.492 92 V N 2.426 122.298 119.914 -0.069 0.000 3.398 92 V HA 0.103 4.223 4.120 0.001 0.000 0.298 92 V C 0.181 176.106 176.094 -0.282 0.000 1.496 92 V CA -0.287 61.891 62.300 -0.204 0.000 1.044 92 V CB -0.517 31.146 31.823 -0.267 0.000 0.880 92 V HN 0.289 nan 8.190 nan 0.000 0.443 93 Y N -0.309 120.053 120.300 0.103 0.000 2.370 93 Y HA 0.360 4.910 4.550 0.001 0.000 0.377 93 Y C 0.854 176.823 175.900 0.114 0.000 1.371 93 Y CA -0.378 57.796 58.100 0.123 0.000 1.756 93 Y CB 0.064 38.632 38.460 0.180 0.000 1.693 93 Y HN -0.203 nan 8.280 nan 0.000 0.595 94 V N 4.305 124.417 119.914 0.329 0.000 2.572 94 V HA 0.127 4.248 4.120 0.001 0.000 0.291 94 V C -2.016 174.202 176.094 0.207 0.000 1.039 94 V CA -1.454 61.005 62.300 0.265 0.000 1.055 94 V CB 0.328 32.283 31.823 0.221 0.000 0.969 94 V HN 0.474 nan 8.190 nan 0.000 0.482 95 P HA 0.262 nan 4.420 nan 0.000 0.279 95 P C -0.995 176.275 177.300 -0.051 0.000 1.252 95 P CA -0.854 62.153 63.100 -0.156 0.000 0.811 95 P CB 0.882 32.184 31.700 -0.663 0.000 1.035 96 N N 1.031 119.663 118.700 -0.113 0.000 2.415 96 N HA 0.224 4.965 4.740 0.001 0.000 0.250 96 N C -0.371 175.117 175.510 -0.037 0.000 1.127 96 N CA 0.140 53.190 53.050 -0.001 0.000 0.945 96 N CB -0.650 37.854 38.487 0.029 0.000 1.196 96 N HN 0.387 nan 8.380 nan 0.000 0.499 97 C N -0.392 118.938 119.300 0.051 0.000 3.259 97 C HA 0.608 5.068 4.460 0.001 0.000 0.328 97 C C 0.638 175.690 174.990 0.105 0.000 1.425 97 C CA -1.018 58.026 59.018 0.044 0.000 1.465 97 C CB 0.983 28.680 27.740 -0.072 0.000 1.890 97 C HN 0.662 nan 8.230 nan 0.000 0.450 98 S N -0.165 115.584 115.700 0.082 0.000 2.608 98 S HA 0.578 5.049 4.470 0.001 0.000 0.261 98 S C -0.001 174.651 174.600 0.086 0.000 1.314 98 S CA -0.075 58.172 58.200 0.077 0.000 0.992 98 S CB 0.601 63.841 63.200 0.066 0.000 0.935 98 S HN 0.881 nan 8.310 nan 0.000 0.564 99 I N -0.247 120.323 120.570 -0.001 0.000 5.157 99 I HA 0.087 4.258 4.170 0.001 0.000 0.350 99 I C 1.457 177.496 176.117 -0.131 0.000 1.233 99 I CA 0.151 61.386 61.300 -0.107 0.000 1.476 99 I CB 0.118 37.816 38.000 -0.503 0.000 1.619 99 I HN 0.569 nan 8.210 nan 0.000 0.557 100 V N 3.173 123.053 119.914 -0.057 0.000 2.380 100 V HA -0.264 3.856 4.120 0.001 0.000 0.251 100 V C 2.413 178.511 176.094 0.007 0.000 1.063 100 V CA 2.762 65.057 62.300 -0.009 0.000 1.055 100 V CB -0.579 31.261 31.823 0.027 0.000 0.657 100 V HN 0.672 nan 8.190 nan 0.000 0.455 101 E N 0.144 120.355 120.200 0.019 0.000 2.331 101 E HA -0.226 4.124 4.350 0.001 0.000 0.199 101 E C 1.462 178.082 176.600 0.034 0.000 1.008 101 E CA 1.601 58.022 56.400 0.034 0.000 0.843 101 E CB -0.434 29.296 29.700 0.051 0.000 0.761 101 E HN 0.680 nan 8.360 nan 0.000 0.507 102 L N 0.970 122.200 121.223 0.012 0.000 2.818 102 L HA 0.349 4.689 4.340 0.001 0.000 0.243 102 L C 0.351 177.223 176.870 0.003 0.000 1.185 102 L CA -0.213 54.629 54.840 0.003 0.000 0.988 102 L CB 0.105 42.145 42.059 -0.032 0.000 1.292 102 L HN -0.027 nan 8.230 nan 0.000 0.519 103 L N -0.708 120.530 121.223 0.026 0.000 2.303 103 L HA 0.540 4.880 4.340 0.001 0.000 0.266 103 L C -0.348 176.575 176.870 0.088 0.000 1.011 103 L CA -0.701 54.183 54.840 0.073 0.000 0.818 103 L CB 2.020 44.144 42.059 0.110 0.000 1.326 103 L HN 0.006 nan 8.230 nan 0.000 0.435 104 E N 1.385 121.658 120.200 0.122 0.000 2.191 104 E HA 0.355 4.706 4.350 0.001 0.000 0.263 104 E C -2.465 174.217 176.600 0.138 0.000 0.881 104 E CA -1.944 54.519 56.400 0.104 0.000 0.757 104 E CB 1.845 31.599 29.700 0.090 0.000 1.147 104 E HN 0.278 nan 8.360 nan 0.000 0.414 105 P HA -0.155 nan 4.420 nan 0.000 0.266 105 P C -0.644 176.729 177.300 0.122 0.000 1.186 105 P CA 0.414 63.583 63.100 0.116 0.000 0.767 105 P CB 0.376 32.116 31.700 0.067 0.000 0.820 106 H N 3.507 122.593 119.070 0.027 0.000 2.582 106 H HA 0.051 4.607 4.556 0.001 0.000 0.345 106 H C 0.097 175.394 175.328 -0.050 0.000 1.104 106 H CA -0.350 55.661 56.048 -0.060 0.000 1.390 106 H CB 0.890 30.472 29.762 -0.301 0.000 1.461 106 H HN 0.424 nan 8.280 nan 0.000 0.551 107 E N 4.403 124.241 120.200 -0.603 0.000 1.881 107 E HA 0.114 4.464 4.350 0.001 0.000 0.264 107 E C 0.003 176.514 176.600 -0.148 0.000 1.243 107 E CA -0.022 56.187 56.400 -0.319 0.000 0.965 107 E CB 0.446 29.963 29.700 -0.306 0.000 1.055 107 E HN 0.865 nan 8.360 nan 0.000 0.412 108 T N 0.855 115.464 114.554 0.092 0.000 7.778 108 T HA -0.158 4.193 4.350 0.001 0.000 0.300 108 T C 0.545 175.342 174.700 0.162 0.000 2.098 108 T CA -0.050 62.137 62.100 0.145 0.000 3.572 108 T CB -1.088 67.891 68.868 0.185 0.000 1.223 108 T HN 0.440 nan 8.240 nan 0.000 0.331 109 L N 3.940 125.320 121.223 0.262 0.000 2.873 109 L HA 0.241 4.582 4.340 0.001 0.000 0.236 109 L C 2.113 179.088 176.870 0.174 0.000 1.375 109 L CA 0.545 55.438 54.840 0.087 0.000 1.239 109 L CB -0.229 41.672 42.059 -0.263 0.000 1.603 109 L HN 0.667 nan 8.230 nan 0.000 0.430 110 T N -4.527 110.106 114.554 0.132 0.000 2.755 110 T HA -0.294 4.056 4.350 0.001 0.000 0.266 110 T C 1.746 176.477 174.700 0.051 0.000 1.041 110 T CA 2.049 64.200 62.100 0.085 0.000 1.147 110 T CB -0.271 68.625 68.868 0.047 0.000 0.847 110 T HN 0.381 nan 8.240 nan 0.000 0.478 111 S N 0.111 115.823 115.700 0.020 0.000 2.603 111 S HA 0.266 4.736 4.470 0.001 0.000 0.220 111 S C -0.237 174.146 174.600 -0.361 0.000 0.967 111 S CA -0.241 57.865 58.200 -0.157 0.000 0.920 111 S CB -0.227 62.835 63.200 -0.229 0.000 0.773 111 S HN 0.635 nan 8.310 nan 0.000 0.529 112 Y N 0.211 120.542 120.300 0.051 0.000 2.487 112 Y HA 0.679 5.230 4.550 0.001 0.000 0.337 112 Y C 0.662 176.672 175.900 0.183 0.000 1.076 112 Y CA -0.810 57.355 58.100 0.109 0.000 1.115 112 Y CB 1.682 40.144 38.460 0.003 0.000 1.235 112 Y HN 0.016 nan 8.280 nan 0.000 0.468 113 G N 1.382 110.477 108.800 0.492 0.000 2.690 113 G HA2 0.661 4.621 3.960 0.001 0.000 0.293 113 G HA3 0.661 4.621 3.960 0.001 0.000 0.293 113 G C -1.930 173.383 174.900 0.688 0.000 1.399 113 G CA -0.975 44.424 45.100 0.498 0.000 0.890 113 G HN 0.562 nan 8.290 nan 0.000 0.485 114 R N -0.251 120.591 120.500 0.570 0.000 2.893 114 R HA 0.683 5.023 4.340 0.001 0.000 0.245 114 R C -0.475 175.959 176.300 0.224 0.000 1.192 114 R CA -0.854 55.484 56.100 0.397 0.000 1.077 114 R CB 1.273 31.805 30.300 0.387 0.000 1.253 114 R HN 0.451 nan 8.270 nan 0.000 0.505 115 L N 1.362 122.662 121.223 0.129 0.000 2.499 115 L HA 0.104 4.445 4.340 0.001 0.000 0.273 115 L C -0.242 176.668 176.870 0.067 0.000 1.195 115 L CA 0.908 55.783 54.840 0.059 0.000 0.882 115 L CB 0.900 42.971 42.059 0.019 0.000 1.133 115 L HN 0.595 nan 8.230 nan 0.000 0.483 116 S N 3.531 119.262 115.700 0.052 0.000 2.596 116 S HA -0.068 4.402 4.470 0.001 0.000 0.298 116 S C 1.223 175.847 174.600 0.039 0.000 1.255 116 S CA 0.442 58.672 58.200 0.050 0.000 1.083 116 S CB -0.081 63.142 63.200 0.039 0.000 0.837 116 S HN 0.901 nan 8.310 nan 0.000 0.499 117 E N 3.906 124.131 120.200 0.042 0.000 2.265 117 E HA -0.132 4.219 4.350 0.001 0.000 0.196 117 E C 1.954 178.567 176.600 0.022 0.000 0.996 117 E CA 0.994 57.412 56.400 0.031 0.000 0.832 117 E CB -0.220 29.499 29.700 0.031 0.000 0.756 117 E HN 0.868 nan 8.360 nan 0.000 0.491 118 A N 1.016 123.850 122.820 0.024 0.000 1.898 118 A HA -0.142 4.178 4.320 0.001 0.000 0.216 118 A C 2.087 179.683 177.584 0.019 0.000 1.181 118 A CA 0.956 53.005 52.037 0.020 0.000 0.620 118 A CB -0.453 18.560 19.000 0.022 0.000 0.819 118 A HN 0.266 nan 8.150 nan 0.000 0.442 119 I N -0.383 120.200 120.570 0.021 0.000 2.226 119 I HA -0.240 3.931 4.170 0.001 0.000 0.245 119 I C 2.498 178.623 176.117 0.013 0.000 1.100 119 I CA 1.433 62.745 61.300 0.019 0.000 1.374 119 I CB -0.502 37.509 38.000 0.019 0.000 1.057 119 I HN 0.425 nan 8.210 nan 0.000 0.413 120 E N 0.925 121.131 120.200 0.009 0.000 2.077 120 E HA -0.211 4.140 4.350 0.001 0.000 0.193 120 E C 1.831 178.433 176.600 0.003 0.000 0.989 120 E CA 1.378 57.780 56.400 0.003 0.000 0.800 120 E CB -0.308 29.392 29.700 0.000 0.000 0.746 120 E HN 0.628 nan 8.360 nan 0.000 0.452 121 N N 0.473 119.177 118.700 0.006 0.000 2.142 121 N HA -0.118 4.622 4.740 0.001 0.000 0.186 121 N C 1.965 177.479 175.510 0.007 0.000 1.023 121 N CA 0.522 53.576 53.050 0.006 0.000 0.852 121 N CB -0.023 38.469 38.487 0.007 0.000 0.998 121 N HN 0.003 nan 8.380 nan 0.000 0.424 122 R N 0.586 121.093 120.500 0.011 0.000 2.096 122 R HA -0.019 4.322 4.340 0.001 0.000 0.235 122 R C 2.230 178.537 176.300 0.012 0.000 1.127 122 R CA 1.147 57.255 56.100 0.013 0.000 0.968 122 R CB -0.132 30.178 30.300 0.017 0.000 0.861 122 R HN 0.208 nan 8.270 nan 0.000 0.440 123 A N 1.236 124.062 122.820 0.010 0.000 1.873 123 A HA -0.167 4.153 4.320 0.001 0.000 0.215 123 A C 1.824 179.412 177.584 0.006 0.000 1.186 123 A CA 1.330 53.372 52.037 0.008 0.000 0.616 123 A CB -0.242 18.760 19.000 0.003 0.000 0.823 123 A HN 0.205 nan 8.150 nan 0.000 0.442 124 K N -0.408 119.994 120.400 0.003 0.000 2.280 124 K HA -0.140 4.180 4.320 0.001 0.000 0.202 124 K C 1.223 177.826 176.600 0.004 0.000 1.047 124 K CA 1.368 57.656 56.287 0.001 0.000 0.942 124 K CB -0.195 32.304 32.500 -0.003 0.000 0.739 124 K HN 0.429 nan 8.250 nan 0.000 0.457 125 D N -0.757 119.647 120.400 0.006 0.000 2.103 125 D HA -0.050 4.590 4.640 0.001 0.000 0.199 125 D C 1.261 177.567 176.300 0.010 0.000 0.978 125 D CA 1.696 55.701 54.000 0.008 0.000 0.829 125 D CB 0.246 41.052 40.800 0.009 0.000 0.981 125 D HN 0.382 nan 8.370 nan 0.000 0.464 126 G N 0.012 108.819 108.800 0.011 0.000 2.834 126 G HA2 -0.160 3.800 3.960 0.001 0.000 0.217 126 G HA3 -0.160 3.800 3.960 0.001 0.000 0.217 126 G C -0.460 174.450 174.900 0.015 0.000 0.974 126 G CA -0.234 44.874 45.100 0.013 0.000 0.826 126 G HN 0.263 nan 8.290 nan 0.000 0.584 127 D N 1.066 121.475 120.400 0.016 0.000 2.382 127 D HA 0.528 5.168 4.640 0.001 0.000 0.259 127 D C 1.677 177.990 176.300 0.023 0.000 1.224 127 D CA 0.780 54.791 54.000 0.019 0.000 0.894 127 D CB 0.834 41.646 40.800 0.021 0.000 1.127 127 D HN -0.003 nan 8.370 nan 0.000 0.487 128 S N 2.978 118.693 115.700 0.025 0.000 2.377 128 S HA -0.308 4.163 4.470 0.001 0.000 0.224 128 S C 1.701 176.323 174.600 0.038 0.000 1.042 128 S CA 1.380 59.597 58.200 0.030 0.000 1.086 128 S CB -0.369 62.852 63.200 0.035 0.000 0.995 128 S HN 0.763 nan 8.310 nan 0.000 0.428 129 Q N 0.565 120.391 119.800 0.043 0.000 2.152 129 Q HA -0.198 4.143 4.340 0.001 0.000 0.206 129 Q C 2.136 178.178 176.000 0.070 0.000 0.985 129 Q CA 1.588 57.426 55.803 0.058 0.000 0.863 129 Q CB -0.312 28.456 28.738 0.049 0.000 0.904 129 Q HN 0.578 nan 8.270 nan 0.000 0.422 130 A N 0.621 123.469 122.820 0.048 0.000 1.929 130 A HA -0.134 4.187 4.320 0.001 0.000 0.216 130 A C 1.990 179.588 177.584 0.023 0.000 1.176 130 A CA 1.115 53.175 52.037 0.040 0.000 0.628 130 A CB -0.305 18.711 19.000 0.027 0.000 0.816 130 A HN 0.359 nan 8.150 nan 0.000 0.444 131 R N -0.279 120.230 120.500 0.016 0.000 2.066 131 R HA -0.059 4.282 4.340 0.001 0.000 0.232 131 R C 1.925 178.206 176.300 -0.032 0.000 1.131 131 R CA 1.424 57.521 56.100 -0.004 0.000 0.955 131 R CB -0.495 29.805 30.300 -0.000 0.000 0.851 131 R HN 0.402 nan 8.270 nan 0.000 0.432 132 I N 1.277 121.838 120.570 -0.016 0.000 2.151 132 I HA -0.304 3.867 4.170 0.001 0.000 0.243 132 I C 2.575 178.645 176.117 -0.078 0.000 1.080 132 I CA 1.755 63.014 61.300 -0.069 0.000 1.339 132 I CB -1.413 36.632 38.000 0.074 0.000 1.039 132 I HN 0.204 nan 8.210 nan 0.000 0.409 133 A N 0.295 123.150 122.820 0.059 0.000 1.877 133 A HA -0.200 4.120 4.320 0.001 0.000 0.216 133 A C 2.443 179.964 177.584 -0.106 0.000 1.186 133 A CA 2.511 54.518 52.037 -0.051 0.000 0.620 133 A CB -1.104 17.923 19.000 0.044 0.000 0.822 133 A HN 0.438 nan 8.150 nan 0.000 0.443 134 T N -0.169 114.351 114.554 -0.057 0.000 2.708 134 T HA -0.118 4.232 4.350 0.001 0.000 0.266 134 T C 2.046 176.714 174.700 -0.054 0.000 1.037 134 T CA 1.921 63.991 62.100 -0.049 0.000 1.146 134 T CB -0.614 68.239 68.868 -0.026 0.000 0.865 134 T HN 0.578 nan 8.240 nan 0.000 0.435 135 T N 1.308 115.817 114.554 -0.075 0.000 2.607 135 T HA -0.179 4.171 4.350 0.001 0.000 0.267 135 T C 1.648 176.309 174.700 -0.065 0.000 1.049 135 T CA 1.727 63.789 62.100 -0.064 0.000 1.162 135 T CB -0.708 68.067 68.868 -0.156 0.000 0.863 135 T HN 0.482 nan 8.240 nan 0.000 0.424 136 Y N 2.120 122.234 120.300 -0.311 0.000 2.193 136 Y HA -0.113 4.438 4.550 0.001 0.000 0.285 136 Y C 2.436 178.274 175.900 -0.103 0.000 1.166 136 Y CA 1.250 59.249 58.100 -0.168 0.000 1.181 136 Y CB -0.930 37.407 38.460 -0.204 0.000 0.976 136 Y HN 0.173 nan 8.280 nan 0.000 0.520 137 G N 0.043 108.675 108.800 -0.280 0.000 2.404 137 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 137 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 137 G C 1.772 176.586 174.900 -0.142 0.000 1.174 137 G CA 0.825 45.740 45.100 -0.308 0.000 0.780 137 G HN 0.395 nan 8.290 nan 0.000 0.537 138 R N -0.674 119.813 120.500 -0.022 0.000 2.092 138 R HA 0.053 4.393 4.340 0.001 0.000 0.231 138 R C 2.400 178.833 176.300 0.222 0.000 1.119 138 R CA 0.920 57.098 56.100 0.129 0.000 0.970 138 R CB -0.336 30.071 30.300 0.178 0.000 0.864 138 R HN 0.380 nan 8.270 nan 0.000 0.440 139 I N 0.739 121.371 120.570 0.105 0.000 2.406 139 I HA -0.095 4.075 4.170 0.001 0.000 0.249 139 I C 2.108 178.221 176.117 -0.007 0.000 1.122 139 I CA 0.959 62.271 61.300 0.020 0.000 1.431 139 I CB -0.267 37.749 38.000 0.028 0.000 1.087 139 I HN 0.088 nan 8.210 nan 0.000 0.424 140 A N -0.157 122.595 122.820 -0.113 0.000 1.933 140 A HA -0.284 4.036 4.320 0.001 0.000 0.218 140 A C 2.365 180.044 177.584 0.158 0.000 1.175 140 A CA 2.010 53.993 52.037 -0.089 0.000 0.628 140 A CB -0.834 17.873 19.000 -0.488 0.000 0.814 140 A HN 0.615 nan 8.150 nan 0.000 0.444 141 E N -0.436 119.877 120.200 0.190 0.000 2.072 141 E HA -0.165 4.185 4.350 0.001 0.000 0.191 141 E C 2.136 178.802 176.600 0.109 0.000 0.985 141 E CA 1.300 57.827 56.400 0.212 0.000 0.801 141 E CB -0.242 29.567 29.700 0.180 0.000 0.750 141 E HN 0.516 nan 8.360 nan 0.000 0.452 142 S N 0.074 115.850 115.700 0.127 0.000 2.370 142 S HA -0.266 4.205 4.470 0.001 0.000 0.226 142 S C 2.078 176.707 174.600 0.047 0.000 1.033 142 S CA 1.744 60.007 58.200 0.105 0.000 1.011 142 S CB -0.287 62.916 63.200 0.004 0.000 0.852 142 S HN 0.435 nan 8.310 nan 0.000 0.457 143 Q N -0.177 119.645 119.800 0.036 0.000 2.170 143 Q HA -0.033 4.307 4.340 0.001 0.000 0.203 143 Q C 2.017 178.019 176.000 0.003 0.000 0.976 143 Q CA 1.347 57.172 55.803 0.035 0.000 0.858 143 Q CB -0.346 28.423 28.738 0.051 0.000 0.907 143 Q HN 0.699 nan 8.270 nan 0.000 0.433 144 A N 0.216 123.013 122.820 -0.037 0.000 2.123 144 A HA -0.030 4.290 4.320 0.001 0.000 0.214 144 A C 1.725 179.328 177.584 0.031 0.000 1.152 144 A CA 0.437 52.384 52.037 -0.149 0.000 0.728 144 A CB -0.079 18.668 19.000 -0.421 0.000 0.814 144 A HN 0.270 nan 8.150 nan 0.000 0.464 145 R N -0.286 120.276 120.500 0.103 0.000 2.275 145 R HA 0.023 4.363 4.340 0.001 0.000 0.199 145 R C 0.467 176.865 176.300 0.164 0.000 0.989 145 R CA 0.248 56.489 56.100 0.235 0.000 1.016 145 R CB 0.003 30.415 30.300 0.188 0.000 0.918 145 R HN 0.388 nan 8.270 nan 0.000 0.473 146 Q N 1.430 121.278 119.800 0.080 0.000 2.401 146 Q HA 0.014 4.354 4.340 0.001 0.000 0.202 146 Q C 0.405 176.426 176.000 0.035 0.000 0.914 146 Q CA 0.707 56.533 55.803 0.039 0.000 1.006 146 Q CB -0.876 27.927 28.738 0.109 0.000 1.041 146 Q HN 0.513 nan 8.270 nan 0.000 0.501 147 I N -4.662 115.890 120.570 -0.031 0.000 2.892 147 I HA 0.345 4.516 4.170 0.001 0.000 0.306 147 I C 0.783 176.780 176.117 -0.199 0.000 1.078 147 I CA -1.163 60.069 61.300 -0.114 0.000 1.032 147 I CB 1.769 39.678 38.000 -0.153 0.000 1.229 147 I HN -0.316 nan 8.210 nan 0.000 0.435 148 K N 2.186 122.521 120.400 -0.109 0.000 2.057 148 K HA 0.215 4.535 4.320 0.001 0.000 0.206 148 K C 0.641 177.213 176.600 -0.046 0.000 1.050 148 K CA 1.667 57.939 56.287 -0.025 0.000 0.935 148 K CB -0.078 32.486 32.500 0.108 0.000 0.715 148 K HN 0.809 nan 8.250 nan 0.000 0.439 149 A N 0.120 122.914 122.820 -0.042 0.000 2.493 149 A HA 0.451 4.772 4.320 0.001 0.000 0.300 149 A C -2.884 174.691 177.584 -0.014 0.000 1.152 149 A CA -1.251 50.802 52.037 0.027 0.000 0.643 149 A CB 0.589 19.811 19.000 0.371 0.000 1.316 149 A HN -0.201 nan 8.150 nan 0.000 0.469 150 P HA 0.248 nan 4.420 nan 0.000 0.266 150 P C 0.762 178.199 177.300 0.229 0.000 1.195 150 P CA -0.070 63.134 63.100 0.174 0.000 0.768 150 P CB 0.360 32.162 31.700 0.169 0.000 0.838 151 L N 1.806 123.138 121.223 0.180 0.000 2.131 151 L HA -0.214 4.127 4.340 0.001 0.000 0.210 151 L C 1.818 178.787 176.870 0.165 0.000 1.092 151 L CA 1.672 56.651 54.840 0.231 0.000 0.759 151 L CB -0.615 41.562 42.059 0.196 0.000 0.903 151 L HN 0.409 nan 8.230 nan 0.000 0.435 152 E N 0.064 120.313 120.200 0.083 0.000 2.209 152 E HA -0.191 4.159 4.350 0.001 0.000 0.196 152 E C 2.096 178.657 176.600 -0.066 0.000 0.993 152 E CA 0.884 57.270 56.400 -0.024 0.000 0.819 152 E CB -0.043 29.647 29.700 -0.016 0.000 0.745 152 E HN 0.311 nan 8.360 nan 0.000 0.477 153 K N -0.455 119.896 120.400 -0.082 0.000 2.062 153 K HA -0.044 4.276 4.320 0.001 0.000 0.205 153 K C 1.877 178.292 176.600 -0.308 0.000 1.051 153 K CA 0.854 56.956 56.287 -0.307 0.000 0.941 153 K CB -0.214 31.975 32.500 -0.519 0.000 0.719 153 K HN 0.193 nan 8.250 nan 0.000 0.440 154 F N 0.967 120.903 119.950 -0.024 0.000 2.186 154 F HA -0.173 4.354 4.527 0.001 0.000 0.299 154 F C 2.404 178.221 175.800 0.028 0.000 1.090 154 F CA 0.741 58.773 58.000 0.054 0.000 1.307 154 F CB -0.699 38.353 39.000 0.086 0.000 1.019 154 F HN -0.257 nan 8.300 nan 0.000 0.489 155 V N -0.170 119.793 119.914 0.083 0.000 2.307 155 V HA -0.266 3.854 4.120 0.001 0.000 0.245 155 V C 2.320 178.385 176.094 -0.049 0.000 1.045 155 V CA 1.487 63.755 62.300 -0.052 0.000 1.024 155 V CB -0.721 30.963 31.823 -0.232 0.000 0.651 155 V HN 0.249 nan 8.190 nan 0.000 0.449 156 L N 0.921 122.081 121.223 -0.104 0.000 2.012 156 L HA -0.126 4.214 4.340 0.001 0.000 0.210 156 L C 2.483 179.292 176.870 -0.102 0.000 1.073 156 L CA 2.436 57.184 54.840 -0.154 0.000 0.748 156 L CB -1.018 40.932 42.059 -0.183 0.000 0.891 156 L HN 0.242 nan 8.230 nan 0.000 0.431 157 A N -0.899 121.856 122.820 -0.107 0.000 1.940 157 A HA -0.218 4.102 4.320 0.001 0.000 0.219 157 A C 2.235 179.859 177.584 0.066 0.000 1.176 157 A CA 1.912 53.866 52.037 -0.138 0.000 0.631 157 A CB -1.006 17.723 19.000 -0.453 0.000 0.814 157 A HN 0.475 nan 8.150 nan 0.000 0.446 158 L N -0.276 121.105 121.223 0.263 0.000 2.046 158 L HA -0.108 4.233 4.340 0.001 0.000 0.208 158 L C 2.284 179.218 176.870 0.107 0.000 1.077 158 L CA 1.575 56.600 54.840 0.308 0.000 0.747 158 L CB -0.524 41.647 42.059 0.186 0.000 0.896 158 L HN 0.420 nan 8.230 nan 0.000 0.432 159 L N -1.938 119.294 121.223 0.014 0.000 1.994 159 L HA -0.226 4.114 4.340 0.001 0.000 0.208 159 L C 2.430 179.258 176.870 -0.070 0.000 1.071 159 L CA 1.324 56.140 54.840 -0.039 0.000 0.745 159 L CB -0.666 41.340 42.059 -0.089 0.000 0.892 159 L HN 0.104 nan 8.230 nan 0.000 0.431 160 V N 0.125 119.946 119.914 -0.154 0.000 2.255 160 V HA -0.345 3.775 4.120 0.001 0.000 0.247 160 V C 2.764 178.825 176.094 -0.056 0.000 1.051 160 V CA 1.972 64.155 62.300 -0.194 0.000 1.018 160 V CB -1.065 30.549 31.823 -0.348 0.000 0.641 160 V HN 0.512 nan 8.190 nan 0.000 0.445 161 A N -0.314 122.515 122.820 0.014 0.000 1.873 161 A HA -0.245 4.075 4.320 0.001 0.000 0.218 161 A C 2.152 179.764 177.584 0.047 0.000 1.193 161 A CA 1.933 54.003 52.037 0.054 0.000 0.629 161 A CB -0.543 18.575 19.000 0.196 0.000 0.826 161 A HN 0.546 nan 8.150 nan 0.000 0.447 162 E N -0.165 120.069 120.200 0.056 0.000 2.268 162 E HA -0.049 4.302 4.350 0.001 0.000 0.195 162 E C 2.084 178.688 176.600 0.006 0.000 0.995 162 E CA 0.913 57.332 56.400 0.032 0.000 0.836 162 E CB -0.518 29.200 29.700 0.029 0.000 0.763 162 E HN 0.605 nan 8.360 nan 0.000 0.491 163 A N 0.883 123.700 122.820 -0.005 0.000 2.178 163 A HA -0.039 4.281 4.320 0.001 0.000 0.218 163 A C 2.298 179.878 177.584 -0.007 0.000 1.157 163 A CA 1.376 53.408 52.037 -0.009 0.000 0.689 163 A CB -0.679 18.319 19.000 -0.004 0.000 0.787 163 A HN 0.294 nan 8.150 nan 0.000 0.465 164 G N -1.185 107.611 108.800 -0.006 0.000 2.572 164 G HA2 0.388 4.349 3.960 0.001 0.000 0.216 164 G HA3 0.388 4.349 3.960 0.001 0.000 0.216 164 G C 1.072 175.980 174.900 0.013 0.000 1.133 164 G CA 0.614 45.713 45.100 -0.000 0.000 0.791 164 G HN 1.615 nan 8.290 nan 0.000 0.538 165 G N -0.542 108.261 108.800 0.006 0.000 2.741 165 G HA2 -0.123 3.837 3.960 0.001 0.000 0.222 165 G HA3 -0.123 3.837 3.960 0.001 0.000 0.222 165 G C 0.123 175.034 174.900 0.020 0.000 1.364 165 G CA -0.259 44.839 45.100 -0.003 0.000 0.866 165 G HN 0.752 nan 8.290 nan 0.000 0.555 166 S N -0.319 115.387 115.700 0.008 0.000 2.563 166 S HA 0.389 4.859 4.470 0.001 0.000 0.284 166 S C 0.472 175.189 174.600 0.195 0.000 1.331 166 S CA -0.275 57.965 58.200 0.067 0.000 1.047 166 S CB 0.511 63.742 63.200 0.051 0.000 0.859 166 S HN 0.623 nan 8.310 nan 0.000 0.514 167 L N 2.927 124.219 121.223 0.115 0.000 2.309 167 L HA 0.377 4.718 4.340 0.001 0.000 0.282 167 L C -0.287 176.550 176.870 -0.056 0.000 1.036 167 L CA -0.587 54.265 54.840 0.020 0.000 0.806 167 L CB 0.524 42.405 42.059 -0.297 0.000 1.220 167 L HN 0.670 nan 8.230 nan 0.000 0.429 168 Y N 3.083 123.169 120.300 -0.355 0.000 2.436 168 Y HA 0.138 4.688 4.550 0.001 0.000 0.343 168 Y C 0.491 176.093 175.900 -0.498 0.000 1.008 168 Y CA -0.384 57.298 58.100 -0.696 0.000 1.241 168 Y CB 0.405 38.327 38.460 -0.897 0.000 1.153 168 Y HN 0.559 nan 8.280 nan 0.000 0.521 169 D N 8.493 128.385 120.400 -0.847 0.000 2.371 169 D HA 0.090 4.731 4.640 0.001 0.000 0.256 169 D C -1.909 173.969 176.300 -0.703 0.000 1.193 169 D CA -1.773 51.824 54.000 -0.672 0.000 0.881 169 D CB 1.928 42.457 40.800 -0.451 0.000 1.143 169 D HN 0.395 nan 8.370 nan 0.000 0.473 170 P HA -0.109 nan 4.420 nan 0.000 0.217 170 P C 1.440 178.683 177.300 -0.095 0.000 1.150 170 P CA 0.457 63.495 63.100 -0.104 0.000 0.832 170 P CB 0.422 32.203 31.700 0.134 0.000 0.787 171 V N -0.496 119.382 119.914 -0.059 0.000 2.300 171 V HA -0.119 4.001 4.120 0.001 0.000 0.241 171 V C 2.385 178.420 176.094 -0.098 0.000 1.034 171 V CA 1.401 63.672 62.300 -0.048 0.000 1.021 171 V CB -1.327 30.489 31.823 -0.011 0.000 0.662 171 V HN 0.001 nan 8.190 nan 0.000 0.458 172 L N -0.498 120.638 121.223 -0.145 0.000 2.376 172 L HA -0.043 4.297 4.340 0.001 0.000 0.219 172 L C 1.072 177.817 176.870 -0.208 0.000 1.133 172 L CA 0.683 55.430 54.840 -0.155 0.000 0.816 172 L CB -0.642 41.320 42.059 -0.161 0.000 0.933 172 L HN 0.483 nan 8.230 nan 0.000 0.449 173 Q N 0.884 120.462 119.800 -0.371 0.000 2.463 173 Q HA -0.216 4.124 4.340 0.001 0.000 0.299 173 Q C -0.441 175.379 176.000 -0.300 0.000 1.353 173 Q CA 0.896 56.442 55.803 -0.427 0.000 0.828 173 Q CB -1.463 27.239 28.738 -0.059 0.000 1.157 173 Q HN 0.683 nan 8.270 nan 0.000 0.436 174 K N -2.298 117.778 120.400 -0.540 0.000 2.597 174 K HA 0.508 4.828 4.320 0.001 0.000 0.282 174 K C -1.306 175.177 176.600 -0.194 0.000 0.975 174 K CA -1.036 55.182 56.287 -0.115 0.000 0.867 174 K CB 0.814 33.305 32.500 -0.014 0.000 1.465 174 K HN -0.046 nan 8.250 nan 0.000 0.417 175 Y N 1.585 121.945 120.300 0.099 0.000 2.336 175 Y HA 0.077 4.627 4.550 0.001 0.000 0.331 175 Y C 0.520 176.386 175.900 -0.056 0.000 1.211 175 Y CA 0.309 58.431 58.100 0.036 0.000 1.346 175 Y CB 0.718 39.220 38.460 0.069 0.000 1.271 175 Y HN 0.762 nan 8.280 nan 0.000 0.538 176 D N 0.006 120.437 120.400 0.053 0.000 2.371 176 D HA 0.076 4.716 4.640 0.001 0.000 0.242 176 D C -0.619 175.690 176.300 0.015 0.000 1.218 176 D CA -0.383 53.603 54.000 -0.023 0.000 0.945 176 D CB 0.618 41.363 40.800 -0.092 0.000 1.137 176 D HN 0.600 nan 8.370 nan 0.000 0.464 177 E N -0.536 119.655 120.200 -0.015 0.000 2.815 177 E HA 0.256 4.606 4.350 0.001 0.000 0.211 177 E C -0.390 176.196 176.600 -0.024 0.000 1.004 177 E CA -0.364 56.027 56.400 -0.014 0.000 1.173 177 E CB 0.189 29.878 29.700 -0.018 0.000 1.163 177 E HN 0.405 nan 8.360 nan 0.000 0.449 178 I N 2.945 123.500 120.570 -0.024 0.000 2.505 178 I HA 0.081 4.252 4.170 0.001 0.000 0.287 178 I C -1.951 174.165 176.117 -0.002 0.000 1.104 178 I CA -1.864 59.424 61.300 -0.020 0.000 1.387 178 I CB 0.226 38.212 38.000 -0.024 0.000 1.404 178 I HN -0.107 nan 8.210 nan 0.000 0.528 179 P HA -0.071 nan 4.420 nan 0.000 0.264 179 P C -0.830 176.527 177.300 0.096 0.000 1.179 179 P CA -0.089 63.036 63.100 0.041 0.000 0.763 179 P CB 0.256 31.963 31.700 0.012 0.000 0.806 180 D N 1.793 122.282 120.400 0.149 0.000 2.433 180 D HA 0.026 4.666 4.640 0.001 0.000 0.255 180 D C 1.249 177.582 176.300 0.054 0.000 1.226 180 D CA -0.361 53.682 54.000 0.072 0.000 1.015 180 D CB 0.083 40.899 40.800 0.027 0.000 1.091 180 D HN 0.173 nan 8.370 nan 0.000 0.527 181 L N -0.343 120.866 121.223 -0.022 0.000 2.187 181 L HA -0.175 4.166 4.340 0.001 0.000 0.213 181 L C 2.236 178.996 176.870 -0.183 0.000 1.100 181 L CA 1.569 56.375 54.840 -0.056 0.000 0.765 181 L CB -0.686 41.320 42.059 -0.088 0.000 0.904 181 L HN 0.524 nan 8.230 nan 0.000 0.437 182 S N -2.015 113.489 115.700 -0.327 0.000 2.595 182 S HA -0.130 4.340 4.470 0.001 0.000 0.235 182 S C 1.359 175.754 174.600 -0.343 0.000 0.974 182 S CA 0.534 58.436 58.200 -0.497 0.000 0.942 182 S CB -0.391 62.511 63.200 -0.496 0.000 0.766 182 S HN 0.499 nan 8.310 nan 0.000 0.536 183 H N 0.393 119.512 119.070 0.081 0.000 2.893 183 H HA 0.332 4.888 4.556 0.001 0.000 0.270 183 H C -0.011 175.408 175.328 0.152 0.000 1.095 183 H CA -0.400 55.713 56.048 0.108 0.000 1.186 183 H CB -0.108 29.680 29.762 0.044 0.000 1.562 183 H HN 0.396 nan 8.280 nan 0.000 0.536 184 N N 1.680 120.560 118.700 0.300 0.000 2.415 184 N HA -0.041 4.700 4.740 0.001 0.000 0.250 184 N C 1.183 176.898 175.510 0.342 0.000 1.127 184 N CA -0.020 53.198 53.050 0.280 0.000 0.945 184 N CB 0.682 39.321 38.487 0.253 0.000 1.196 184 N HN 0.213 nan 8.380 nan 0.000 0.499 185 C N 5.542 124.980 119.300 0.230 0.000 2.429 185 C HA 0.035 4.495 4.460 0.001 0.000 0.277 185 C C -0.599 174.538 174.990 0.245 0.000 1.262 185 C CA 0.478 59.623 59.018 0.212 0.000 1.733 185 C CB -0.844 26.976 27.740 0.133 0.000 2.010 185 C HN 0.627 nan 8.230 nan 0.000 0.483 186 P HA -0.104 nan 4.420 nan 0.000 0.215 186 P C 1.996 179.433 177.300 0.229 0.000 1.157 186 P CA 1.277 64.490 63.100 0.188 0.000 0.868 186 P CB -0.287 31.488 31.700 0.126 0.000 0.788 187 L N -2.043 119.328 121.223 0.246 0.000 2.043 187 L HA -0.198 4.142 4.340 0.001 0.000 0.212 187 L C 2.313 179.303 176.870 0.199 0.000 1.075 187 L CA 1.820 56.834 54.840 0.290 0.000 0.752 187 L CB -0.707 41.599 42.059 0.412 0.000 0.891 187 L HN 0.125 nan 8.230 nan 0.000 0.432 188 W N 0.018 121.188 121.300 -0.217 0.000 2.355 188 W HA -0.253 4.407 4.660 0.001 0.000 0.309 188 W C 2.646 179.024 176.519 -0.235 0.000 1.206 188 W CA 1.816 58.726 57.345 -0.724 0.000 1.284 188 W CB -0.530 28.464 29.460 -0.777 0.000 1.145 188 W HN 0.164 nan 8.180 nan 0.000 0.502 189 C N -0.305 119.013 119.300 0.030 0.000 2.432 189 C HA -0.193 4.267 4.460 0.001 0.000 0.277 189 C C 2.562 177.509 174.990 -0.071 0.000 1.249 189 C CA 1.102 60.087 59.018 -0.055 0.000 1.725 189 C CB -1.926 25.913 27.740 0.165 0.000 2.028 189 C HN 0.472 nan 8.230 nan 0.000 0.477 190 F N 1.735 121.661 119.950 -0.041 0.000 2.126 190 F HA -0.178 4.349 4.527 0.001 0.000 0.299 190 F C 2.690 178.497 175.800 0.011 0.000 1.096 190 F CA 2.063 60.081 58.000 0.029 0.000 1.255 190 F CB -0.414 38.637 39.000 0.084 0.000 0.997 190 F HN 0.077 nan 8.300 nan 0.000 0.479 191 R N 0.193 120.738 120.500 0.074 0.000 2.066 191 R HA -0.135 4.206 4.340 0.001 0.000 0.232 191 R C 2.241 178.407 176.300 -0.223 0.000 1.131 191 R CA 1.651 57.749 56.100 -0.002 0.000 0.955 191 R CB -0.288 30.021 30.300 0.014 0.000 0.851 191 R HN 0.245 nan 8.270 nan 0.000 0.432 192 E N 0.611 120.520 120.200 -0.485 0.000 2.072 192 E HA -0.178 4.172 4.350 0.001 0.000 0.191 192 E C 2.099 178.564 176.600 -0.225 0.000 0.985 192 E CA 1.112 57.222 56.400 -0.485 0.000 0.801 192 E CB -0.171 28.950 29.700 -0.965 0.000 0.750 192 E HN 0.442 nan 8.360 nan 0.000 0.452 193 I N 0.500 120.961 120.570 -0.181 0.000 2.226 193 I HA -0.311 3.859 4.170 0.001 0.000 0.245 193 I C 2.537 178.653 176.117 -0.002 0.000 1.100 193 I CA 0.850 62.159 61.300 0.014 0.000 1.374 193 I CB -0.220 37.769 38.000 -0.018 0.000 1.057 193 I HN 0.123 nan 8.210 nan 0.000 0.413 194 C N 0.034 119.228 119.300 -0.177 0.000 2.453 194 C HA -0.117 4.343 4.460 0.001 0.000 0.277 194 C C 2.953 177.826 174.990 -0.194 0.000 1.262 194 C CA 0.609 59.489 59.018 -0.230 0.000 1.718 194 C CB -1.052 26.443 27.740 -0.409 0.000 2.031 194 C HN 0.443 nan 8.230 nan 0.000 0.480 195 R N 0.089 120.491 120.500 -0.163 0.000 2.091 195 R HA -0.203 4.138 4.340 0.001 0.000 0.238 195 R C 2.119 178.339 176.300 -0.134 0.000 1.136 195 R CA 2.065 58.083 56.100 -0.136 0.000 0.959 195 R CB -0.587 29.656 30.300 -0.096 0.000 0.856 195 R HN 0.739 nan 8.270 nan 0.000 0.437 196 H N -0.207 118.732 119.070 -0.217 0.000 2.457 196 H HA -0.005 4.552 4.556 0.001 0.000 0.294 196 H C 1.819 176.940 175.328 -0.345 0.000 1.064 196 H CA 1.829 57.693 56.048 -0.307 0.000 1.330 196 H CB 0.098 29.596 29.762 -0.440 0.000 1.395 196 H HN 0.223 nan 8.280 nan 0.000 0.541 197 I N -0.451 120.029 120.570 -0.150 0.000 2.296 197 I HA -0.188 3.982 4.170 0.001 0.000 0.242 197 I C 2.508 178.533 176.117 -0.153 0.000 1.087 197 I CA 1.007 62.235 61.300 -0.119 0.000 1.393 197 I CB -0.279 37.731 38.000 0.016 0.000 1.093 197 I HN 0.352 nan 8.210 nan 0.000 0.421 198 S N 0.768 116.372 115.700 -0.159 0.000 2.399 198 S HA -0.044 4.426 4.470 0.001 0.000 0.231 198 S C 1.749 176.252 174.600 -0.162 0.000 1.022 198 S CA 0.607 58.712 58.200 -0.159 0.000 0.983 198 S CB -1.130 61.962 63.200 -0.180 0.000 0.803 198 S HN 0.628 nan 8.310 nan 0.000 0.480 199 G N 3.205 111.886 108.800 -0.197 0.000 2.651 199 G HA2 -0.330 3.630 3.960 0.001 0.000 0.315 199 G HA3 -0.330 3.630 3.960 0.001 0.000 0.315 199 G C -1.135 173.685 174.900 -0.135 0.000 1.258 199 G CA 0.463 45.443 45.100 -0.199 0.000 1.002 199 G HN 0.539 nan 8.290 nan 0.000 0.551 200 P HA 0.159 nan 4.420 nan 0.000 0.242 200 P C 0.725 177.983 177.300 -0.071 0.000 1.197 200 P CA 0.397 63.448 63.100 -0.081 0.000 0.765 200 P CB -0.102 31.555 31.700 -0.072 0.000 0.936 201 L N 0.782 121.954 121.223 -0.086 0.000 2.380 201 L HA 0.168 4.508 4.340 0.001 0.000 0.273 201 L C -0.951 175.883 176.870 -0.059 0.000 1.138 201 L CA -1.806 52.987 54.840 -0.077 0.000 0.832 201 L CB 0.375 42.371 42.059 -0.104 0.000 1.124 201 L HN -0.219 nan 8.230 nan 0.000 0.454 202 P HA -0.096 nan 4.420 nan 0.000 0.218 202 P C -0.373 176.929 177.300 0.003 0.000 1.149 202 P CA 1.022 64.114 63.100 -0.012 0.000 0.817 202 P CB 0.174 31.872 31.700 -0.003 0.000 0.785 203 D N 0.185 120.588 120.400 0.006 0.000 2.312 203 D HA 0.066 4.706 4.640 0.001 0.000 0.252 203 D C 1.067 177.351 176.300 -0.027 0.000 1.150 203 D CA -0.016 54.019 54.000 0.059 0.000 0.870 203 D CB 1.088 41.972 40.800 0.140 0.000 1.153 203 D HN 0.048 nan 8.370 nan 0.000 0.457 204 R N 1.000 121.457 120.500 -0.072 0.000 2.290 204 R HA 0.144 4.485 4.340 0.001 0.000 0.197 204 R C 0.442 176.299 176.300 -0.738 0.000 0.913 204 R CA -0.110 55.765 56.100 -0.375 0.000 1.040 204 R CB 0.251 30.331 30.300 -0.368 0.000 0.992 204 R HN 0.346 nan 8.270 nan 0.000 0.500 205 A N 2.521 125.167 122.820 -0.291 0.000 2.362 205 A HA 0.387 4.707 4.320 0.001 0.000 0.276 205 A C -1.723 175.900 177.584 0.065 0.000 1.153 205 A CA -1.248 50.723 52.037 -0.109 0.000 0.813 205 A CB 0.709 19.807 19.000 0.164 0.000 1.081 205 A HN -0.103 nan 8.150 nan 0.000 0.507 206 P HA 0.003 nan 4.420 nan 0.000 0.223 206 P C -0.455 177.072 177.300 0.379 0.000 1.151 206 P CA 1.450 64.657 63.100 0.178 0.000 0.787 206 P CB -0.127 31.682 31.700 0.182 0.000 0.788 207 Y N -4.193 116.217 120.300 0.184 0.000 2.702 207 Y HA 0.548 5.098 4.550 0.001 0.000 0.336 207 Y C -2.089 173.842 175.900 0.053 0.000 1.203 207 Y CA -1.705 56.451 58.100 0.094 0.000 1.072 207 Y CB 0.529 38.842 38.460 -0.245 0.000 1.327 207 Y HN -0.404 nan 8.280 nan 0.000 0.456 208 L N 3.425 124.650 121.223 0.003 0.000 2.325 208 L HA 0.373 4.713 4.340 0.001 0.000 0.281 208 L C -1.309 175.608 176.870 0.078 0.000 1.004 208 L CA -0.985 53.794 54.840 -0.102 0.000 0.823 208 L CB 1.728 43.658 42.059 -0.214 0.000 1.236 208 L HN 0.779 nan 8.230 nan 0.000 0.415 209 Y N 5.091 125.381 120.300 -0.017 0.000 2.504 209 Y HA 0.433 4.984 4.550 0.001 0.000 0.351 209 Y C -0.873 175.062 175.900 0.057 0.000 0.988 209 Y CA -0.198 57.952 58.100 0.083 0.000 1.239 209 Y CB 0.317 38.856 38.460 0.131 0.000 1.128 209 Y HN 0.364 nan 8.280 nan 0.000 0.525 210 L N 3.481 124.468 121.223 -0.392 0.000 2.305 210 L HA 0.427 4.767 4.340 0.001 0.000 0.261 210 L C 1.202 177.843 176.870 -0.381 0.000 1.100 210 L CA -0.154 54.521 54.840 -0.275 0.000 1.073 210 L CB 0.892 42.932 42.059 -0.031 0.000 1.656 210 L HN 0.644 nan 8.230 nan 0.000 0.536 211 S N -0.760 114.847 115.700 -0.156 0.000 2.506 211 S HA 0.077 4.548 4.470 0.001 0.000 0.230 211 S C 1.488 176.045 174.600 -0.072 0.000 1.066 211 S CA 0.508 58.644 58.200 -0.106 0.000 0.940 211 S CB -0.262 62.925 63.200 -0.023 0.000 0.818 211 S HN 0.560 nan 8.310 nan 0.000 0.518 212 A N 1.751 124.569 122.820 -0.004 0.000 2.248 212 A HA 0.525 4.845 4.320 0.001 0.000 0.210 212 A C 1.367 178.899 177.584 -0.087 0.000 1.174 212 A CA 0.848 52.910 52.037 0.042 0.000 0.750 212 A CB -1.234 17.899 19.000 0.221 0.000 0.780 212 A HN 1.411 nan 8.150 nan 0.000 0.478 213 G N -2.576 106.110 108.800 -0.189 0.000 2.352 213 G HA2 0.127 4.088 3.960 0.001 0.000 0.324 213 G HA3 0.127 4.088 3.960 0.001 0.000 0.324 213 G C -0.734 173.919 174.900 -0.411 0.000 1.249 213 G CA -0.435 44.487 45.100 -0.297 0.000 1.053 213 G HN 0.737 nan 8.290 nan 0.000 0.492 214 V N 0.432 120.090 119.914 -0.427 0.000 2.472 214 V HA 0.766 4.886 4.120 0.001 0.000 0.290 214 V C -0.558 175.197 176.094 -0.566 0.000 1.037 214 V CA -0.364 61.712 62.300 -0.373 0.000 0.908 214 V CB 1.291 32.953 31.823 -0.268 0.000 0.985 214 V HN 0.607 nan 8.190 nan 0.000 0.454 215 F N 2.190 122.096 119.950 -0.073 0.000 2.520 215 F HA 0.621 5.148 4.527 0.001 0.000 0.322 215 F C -0.559 175.300 175.800 0.098 0.000 1.103 215 F CA -0.852 57.202 58.000 0.089 0.000 0.926 215 F CB 1.643 40.700 39.000 0.096 0.000 1.154 215 F HN 0.418 nan 8.300 nan 0.000 0.453 216 W N 4.282 125.868 121.300 0.476 0.000 2.496 216 W HA 0.600 5.261 4.660 0.001 0.000 0.327 216 W C -0.592 176.100 176.519 0.289 0.000 1.086 216 W CA -0.990 56.578 57.345 0.373 0.000 1.222 216 W CB 0.762 30.343 29.460 0.202 0.000 1.304 216 W HN 0.233 nan 8.180 nan 0.000 0.547 217 L N 4.622 126.042 121.223 0.328 0.000 2.462 217 L HA 0.149 4.489 4.340 0.001 0.000 0.272 217 L C 0.596 177.444 176.870 -0.036 0.000 1.166 217 L CA 0.165 54.863 54.840 -0.238 0.000 0.880 217 L CB 0.341 42.301 42.059 -0.165 0.000 1.142 217 L HN 0.372 nan 8.230 nan 0.000 0.473 218 M N 4.452 123.976 119.600 -0.126 0.000 3.731 218 M HA 0.043 4.523 4.480 0.001 0.000 0.176 218 M C 0.329 176.612 176.300 -0.028 0.000 1.554 218 M CA 0.512 55.797 55.300 -0.024 0.000 1.718 218 M CB -1.822 30.758 32.600 -0.032 0.000 1.246 218 M HN 0.708 nan 8.290 nan 0.000 0.486 219 S N 1.790 117.489 115.700 -0.002 0.000 2.475 219 S HA 0.540 5.011 4.470 0.001 0.000 0.298 219 S C -1.463 173.152 174.600 0.024 0.000 1.119 219 S CA -1.360 56.834 58.200 -0.010 0.000 1.085 219 S CB 1.581 64.766 63.200 -0.026 0.000 1.028 219 S HN 0.298 nan 8.310 nan 0.000 0.489 220 P HA 0.063 nan 4.420 nan 0.000 0.242 220 P C 0.557 177.891 177.300 0.057 0.000 1.197 220 P CA 0.400 63.517 63.100 0.028 0.000 0.765 220 P CB 0.123 31.829 31.700 0.011 0.000 0.936 221 R N -1.863 118.672 120.500 0.059 0.000 2.290 221 R HA 0.233 4.573 4.340 0.001 0.000 0.197 221 R C 1.047 177.470 176.300 0.206 0.000 0.913 221 R CA -0.288 55.885 56.100 0.122 0.000 1.040 221 R CB -0.194 30.119 30.300 0.022 0.000 0.992 221 R HN 0.134 nan 8.270 nan 0.000 0.500 222 M N 0.277 119.977 119.600 0.166 0.000 2.240 222 M HA 0.113 4.593 4.480 0.001 0.000 0.333 222 M C -0.468 175.946 176.300 0.190 0.000 1.110 222 M CA 0.954 56.385 55.300 0.218 0.000 1.173 222 M CB 1.271 34.028 32.600 0.261 0.000 1.458 222 M HN -0.159 nan 8.290 nan 0.000 0.458 223 T N 1.445 116.127 114.554 0.214 0.000 2.883 223 T HA 0.332 4.683 4.350 0.001 0.000 0.301 223 T C 0.640 175.458 174.700 0.196 0.000 1.158 223 T CA -0.130 62.062 62.100 0.155 0.000 1.007 223 T CB 1.547 70.488 68.868 0.122 0.000 1.186 223 T HN 0.725 nan 8.240 nan 0.000 0.499 224 S N 0.378 116.156 115.700 0.130 0.000 2.507 224 S HA 0.013 4.484 4.470 0.001 0.000 0.235 224 S C 1.774 176.464 174.600 0.150 0.000 0.988 224 S CA 0.579 58.869 58.200 0.150 0.000 0.944 224 S CB -0.257 63.013 63.200 0.116 0.000 0.762 224 S HN 0.758 nan 8.310 nan 0.000 0.526 225 A N 0.952 123.831 122.820 0.099 0.000 2.238 225 A HA 0.378 4.698 4.320 0.001 0.000 0.210 225 A C 1.835 179.357 177.584 -0.104 0.000 1.179 225 A CA -0.053 51.978 52.037 -0.009 0.000 0.827 225 A CB -0.307 18.737 19.000 0.074 0.000 0.856 225 A HN 0.458 nan 8.150 nan 0.000 0.488 226 I N 0.685 121.266 120.570 0.018 0.000 2.202 226 I HA -0.103 4.068 4.170 0.001 0.000 0.242 226 I C -0.462 175.622 176.117 -0.055 0.000 1.091 226 I CA 1.042 62.351 61.300 0.015 0.000 1.368 226 I CB -2.310 35.770 38.000 0.135 0.000 1.058 226 I HN 0.107 nan 8.210 nan 0.000 0.410 227 P HA -0.130 nan 4.420 nan 0.000 0.214 227 P C -1.200 176.003 177.300 -0.162 0.000 1.169 227 P CA 2.299 65.205 63.100 -0.323 0.000 0.908 227 P CB -1.303 29.972 31.700 -0.709 0.000 0.791 228 P HA -0.180 nan 4.420 nan 0.000 0.214 228 P C 1.690 178.762 177.300 -0.379 0.000 1.163 228 P CA 1.017 63.888 63.100 -0.380 0.000 0.889 228 P CB -0.543 30.714 31.700 -0.739 0.000 0.790 229 L N -0.749 120.173 121.223 -0.502 0.000 1.990 229 L HA -0.197 4.144 4.340 0.001 0.000 0.213 229 L C 2.217 179.121 176.870 0.058 0.000 1.072 229 L CA 1.966 56.714 54.840 -0.154 0.000 0.755 229 L CB -1.430 40.586 42.059 -0.072 0.000 0.889 229 L HN -0.125 nan 8.230 nan 0.000 0.432 230 L N -0.572 120.718 121.223 0.112 0.000 2.046 230 L HA -0.194 4.146 4.340 0.001 0.000 0.208 230 L C 2.769 179.811 176.870 0.286 0.000 1.077 230 L CA 1.476 56.499 54.840 0.306 0.000 0.747 230 L CB -1.129 41.168 42.059 0.398 0.000 0.896 230 L HN 0.574 nan 8.230 nan 0.000 0.432 231 S N -0.620 115.186 115.700 0.175 0.000 2.370 231 S HA -0.247 4.224 4.470 0.001 0.000 0.226 231 S C 1.671 176.303 174.600 0.053 0.000 1.033 231 S CA 1.625 59.882 58.200 0.094 0.000 1.011 231 S CB -0.440 62.792 63.200 0.053 0.000 0.852 231 S HN 0.365 nan 8.310 nan 0.000 0.457 232 D N 1.586 122.032 120.400 0.076 0.000 2.117 232 D HA 0.044 4.685 4.640 0.001 0.000 0.198 232 D C 1.977 178.323 176.300 0.076 0.000 0.982 232 D CA 1.014 55.062 54.000 0.079 0.000 0.828 232 D CB -0.372 40.519 40.800 0.151 0.000 0.967 232 D HN 0.426 nan 8.370 nan 0.000 0.464 233 L N 0.047 121.346 121.223 0.128 0.000 2.093 233 L HA -0.122 4.218 4.340 0.001 0.000 0.208 233 L C 2.482 179.393 176.870 0.068 0.000 1.085 233 L CA 0.482 55.406 54.840 0.139 0.000 0.755 233 L CB -0.319 41.888 42.059 0.247 0.000 0.904 233 L HN -0.052 nan 8.230 nan 0.000 0.435 234 V N -0.020 119.908 119.914 0.023 0.000 2.407 234 V HA -0.246 3.874 4.120 0.001 0.000 0.248 234 V C 2.228 178.277 176.094 -0.074 0.000 1.055 234 V CA 1.671 63.917 62.300 -0.090 0.000 1.049 234 V CB -0.676 31.064 31.823 -0.139 0.000 0.662 234 V HN 0.481 nan 8.190 nan 0.000 0.455 235 N N 0.257 118.917 118.700 -0.067 0.000 2.142 235 N HA -0.066 4.675 4.740 0.001 0.000 0.186 235 N C 1.809 177.277 175.510 -0.071 0.000 1.023 235 N CA 1.312 54.313 53.050 -0.080 0.000 0.852 235 N CB -0.336 38.103 38.487 -0.081 0.000 0.998 235 N HN 0.394 nan 8.380 nan 0.000 0.424 236 L N 0.650 121.846 121.223 -0.044 0.000 2.093 236 L HA -0.067 4.273 4.340 0.001 0.000 0.208 236 L C 2.434 179.285 176.870 -0.032 0.000 1.085 236 L CA 0.911 55.724 54.840 -0.045 0.000 0.755 236 L CB -0.480 41.572 42.059 -0.012 0.000 0.904 236 L HN 0.091 nan 8.230 nan 0.000 0.435 237 A N 0.578 123.392 122.820 -0.010 0.000 1.883 237 A HA -0.211 4.110 4.320 0.001 0.000 0.217 237 A C 2.195 179.755 177.584 -0.040 0.000 1.186 237 A CA 1.757 53.796 52.037 0.004 0.000 0.624 237 A CB -0.695 18.309 19.000 0.006 0.000 0.822 237 A HN 0.370 nan 8.150 nan 0.000 0.444 238 I N -0.507 120.011 120.570 -0.086 0.000 2.315 238 I HA -0.209 3.961 4.170 0.001 0.000 0.248 238 I C 2.279 178.312 176.117 -0.139 0.000 1.117 238 I CA 0.897 62.095 61.300 -0.169 0.000 1.404 238 I CB -0.284 37.585 38.000 -0.218 0.000 1.071 238 I HN 0.278 nan 8.210 nan 0.000 0.419 239 L N 0.103 121.258 121.223 -0.114 0.000 2.109 239 L HA -0.194 4.146 4.340 0.001 0.000 0.207 239 L C 2.631 179.442 176.870 -0.099 0.000 1.086 239 L CA 1.126 55.889 54.840 -0.128 0.000 0.760 239 L CB -0.563 41.407 42.059 -0.149 0.000 0.910 239 L HN 0.336 nan 8.230 nan 0.000 0.437 240 Q N -0.310 119.448 119.800 -0.070 0.000 2.226 240 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 240 Q C 2.009 177.990 176.000 -0.031 0.000 0.975 240 Q CA 1.226 57.002 55.803 -0.044 0.000 0.866 240 Q CB 0.267 29.002 28.738 -0.006 0.000 0.915 240 Q HN 0.481 nan 8.270 nan 0.000 0.440 241 Q N -1.136 118.643 119.800 -0.035 0.000 2.349 241 Q HA 0.003 4.343 4.340 0.001 0.000 0.209 241 Q C 1.892 177.885 176.000 -0.012 0.000 0.920 241 Q CA 1.605 57.396 55.803 -0.020 0.000 0.901 241 Q CB 0.580 29.306 28.738 -0.020 0.000 1.021 241 Q HN 0.527 nan 8.270 nan 0.000 0.519 242 T N -2.894 111.647 114.554 -0.022 0.000 3.023 242 T HA 0.352 4.703 4.350 0.001 0.000 0.249 242 T C 1.568 176.244 174.700 -0.039 0.000 1.050 242 T CA 0.532 62.654 62.100 0.037 0.000 1.088 242 T CB 0.221 69.185 68.868 0.160 0.000 0.946 242 T HN 0.108 nan 8.240 nan 0.000 0.480 243 A N 0.842 123.602 122.820 -0.101 0.000 2.348 243 A HA 0.671 4.991 4.320 0.001 0.000 0.224 243 A C 1.818 179.348 177.584 -0.089 0.000 1.227 243 A CA 0.284 52.246 52.037 -0.125 0.000 0.885 243 A CB -0.872 18.024 19.000 -0.174 0.000 0.933 243 A HN 1.212 nan 8.150 nan 0.000 0.506 244 G N 0.142 108.901 108.800 -0.068 0.000 2.283 244 G HA2 -0.244 3.717 3.960 0.001 0.000 0.280 244 G HA3 -0.244 3.717 3.960 0.001 0.000 0.280 244 G C 0.166 175.029 174.900 -0.061 0.000 1.029 244 G CA 0.465 45.531 45.100 -0.057 0.000 0.840 244 G HN 0.492 nan 8.290 nan 0.000 0.505 245 L N -0.111 121.067 121.223 -0.075 0.000 2.499 245 L HA 0.168 4.509 4.340 0.001 0.000 0.281 245 L C 0.987 177.826 176.870 -0.053 0.000 1.234 245 L CA -0.292 54.498 54.840 -0.084 0.000 0.839 245 L CB 0.356 42.347 42.059 -0.113 0.000 1.104 245 L HN 0.232 nan 8.230 nan 0.000 0.500 246 D N 2.852 123.226 120.400 -0.045 0.000 2.371 246 D HA 0.087 4.728 4.640 0.001 0.000 0.256 246 D C -1.757 174.536 176.300 -0.012 0.000 1.193 246 D CA -1.842 52.151 54.000 -0.012 0.000 0.881 246 D CB 1.630 42.445 40.800 0.025 0.000 1.143 246 D HN 0.164 nan 8.370 nan 0.000 0.473 247 P HA -0.152 nan 4.420 nan 0.000 0.216 247 P C 1.399 178.713 177.300 0.023 0.000 1.150 247 P CA 1.375 64.484 63.100 0.015 0.000 0.837 247 P CB 0.121 31.834 31.700 0.022 0.000 0.786 248 S N -0.934 114.780 115.700 0.024 0.000 2.382 248 S HA -0.131 4.339 4.470 0.001 0.000 0.228 248 S C 1.962 176.593 174.600 0.052 0.000 1.027 248 S CA 1.074 59.297 58.200 0.038 0.000 0.991 248 S CB -1.601 61.623 63.200 0.041 0.000 0.823 248 S HN 0.068 nan 8.310 nan 0.000 0.469 249 L N 1.057 122.305 121.223 0.041 0.000 2.072 249 L HA -0.029 4.312 4.340 0.001 0.000 0.205 249 L C 2.721 179.584 176.870 -0.012 0.000 1.079 249 L CA 0.928 55.784 54.840 0.026 0.000 0.752 249 L CB -0.616 41.414 42.059 -0.048 0.000 0.906 249 L HN 0.235 nan 8.230 nan 0.000 0.436 250 V N 0.072 119.964 119.914 -0.037 0.000 2.324 250 V HA -0.350 3.770 4.120 0.001 0.000 0.250 250 V C 2.413 178.526 176.094 0.030 0.000 1.060 250 V CA 1.856 64.134 62.300 -0.037 0.000 1.042 250 V CB -0.681 31.132 31.823 -0.018 0.000 0.650 250 V HN 0.449 nan 8.190 nan 0.000 0.450 251 K N -0.256 120.177 120.400 0.055 0.000 2.147 251 K HA -0.091 4.230 4.320 0.001 0.000 0.205 251 K C 2.092 178.754 176.600 0.104 0.000 1.049 251 K CA 1.199 57.533 56.287 0.079 0.000 0.936 251 K CB -0.306 32.232 32.500 0.063 0.000 0.722 251 K HN 0.399 nan 8.250 nan 0.000 0.446 252 L N 0.016 121.316 121.223 0.128 0.000 2.046 252 L HA -0.146 4.195 4.340 0.001 0.000 0.208 252 L C 2.524 179.558 176.870 0.273 0.000 1.077 252 L CA 1.460 56.412 54.840 0.187 0.000 0.747 252 L CB -0.803 41.421 42.059 0.276 0.000 0.896 252 L HN 0.345 nan 8.230 nan 0.000 0.432 253 G N -0.785 108.198 108.800 0.305 0.000 2.421 253 G HA2 -0.131 3.829 3.960 0.001 0.000 0.217 253 G HA3 -0.131 3.829 3.960 0.001 0.000 0.217 253 G C 1.581 176.583 174.900 0.169 0.000 1.143 253 G CA 0.569 45.841 45.100 0.287 0.000 0.784 253 G HN 0.186 nan 8.290 nan 0.000 0.541 254 V N 0.308 120.303 119.914 0.134 0.000 2.427 254 V HA -0.199 3.921 4.120 0.001 0.000 0.248 254 V C 2.841 179.021 176.094 0.143 0.000 1.051 254 V CA 1.884 64.265 62.300 0.134 0.000 1.048 254 V CB -0.395 31.510 31.823 0.136 0.000 0.666 254 V HN 0.406 nan 8.190 nan 0.000 0.456 255 Q N -0.418 119.463 119.800 0.134 0.000 2.050 255 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 255 Q C 2.290 178.372 176.000 0.136 0.000 0.980 255 Q CA 1.821 57.711 55.803 0.145 0.000 0.840 255 Q CB -0.222 28.562 28.738 0.077 0.000 0.898 255 Q HN 0.585 nan 8.270 nan 0.000 0.424 256 I N 0.068 120.674 120.570 0.060 0.000 2.163 256 I HA -0.364 3.807 4.170 0.001 0.000 0.243 256 I C 2.451 178.625 176.117 0.096 0.000 1.085 256 I CA 0.839 62.172 61.300 0.055 0.000 1.347 256 I CB -0.453 37.568 38.000 0.034 0.000 1.044 256 I HN 0.324 nan 8.210 nan 0.000 0.408 257 C N 0.750 120.111 119.300 0.103 0.000 2.413 257 C HA -0.158 4.302 4.460 0.001 0.000 0.276 257 C C 2.765 177.827 174.990 0.119 0.000 1.236 257 C CA 0.672 59.760 59.018 0.118 0.000 1.735 257 C CB -1.068 26.792 27.740 0.200 0.000 2.031 257 C HN 0.463 nan 8.230 nan 0.000 0.474 258 L N -0.449 120.845 121.223 0.117 0.000 2.083 258 L HA -0.169 4.171 4.340 0.001 0.000 0.209 258 L C 2.462 179.300 176.870 -0.054 0.000 1.083 258 L CA 1.563 56.434 54.840 0.053 0.000 0.752 258 L CB -0.776 41.324 42.059 0.070 0.000 0.899 258 L HN 0.444 nan 8.230 nan 0.000 0.433 259 H N -0.581 118.376 119.070 -0.187 0.000 2.423 259 H HA -0.036 4.521 4.556 0.001 0.000 0.297 259 H C 2.216 177.047 175.328 -0.828 0.000 1.075 259 H CA 1.159 56.972 56.048 -0.392 0.000 1.342 259 H CB -0.027 29.560 29.762 -0.293 0.000 1.395 259 H HN 0.312 nan 8.280 nan 0.000 0.530 260 A N 0.581 123.033 122.820 -0.615 0.000 1.873 260 A HA -0.069 4.251 4.320 0.001 0.000 0.215 260 A C 2.491 179.926 177.584 -0.248 0.000 1.186 260 A CA 1.583 53.184 52.037 -0.727 0.000 0.616 260 A CB -1.047 17.456 19.000 -0.828 0.000 0.823 260 A HN 0.449 nan 8.150 nan 0.000 0.442 261 A N -0.444 122.414 122.820 0.065 0.000 2.015 261 A HA 0.261 4.581 4.320 0.001 0.000 0.219 261 A C 2.359 179.917 177.584 -0.044 0.000 1.163 261 A CA 1.730 53.864 52.037 0.161 0.000 0.646 261 A CB -0.725 18.342 19.000 0.111 0.000 0.806 261 A HN 0.971 nan 8.150 nan 0.000 0.448 262 A N 0.272 122.992 122.820 -0.168 0.000 1.968 262 A HA 0.137 4.457 4.320 0.001 0.000 0.217 262 A C 1.972 179.463 177.584 -0.155 0.000 1.169 262 A CA 1.320 53.237 52.037 -0.201 0.000 0.638 262 A CB -0.862 17.955 19.000 -0.305 0.000 0.812 262 A HN 0.815 nan 8.150 nan 0.000 0.446 263 S N -0.019 115.561 115.700 -0.200 0.000 2.587 263 S HA 0.150 4.620 4.470 0.001 0.000 0.252 263 S C 1.238 175.862 174.600 0.040 0.000 1.282 263 S CA 0.600 58.770 58.200 -0.050 0.000 0.977 263 S CB 0.111 63.315 63.200 0.006 0.000 1.015 263 S HN 0.851 nan 8.310 nan 0.000 0.557 264 S N -1.193 114.577 115.700 0.118 0.000 2.535 264 S HA 0.325 4.795 4.470 0.001 0.000 0.214 264 S C 0.453 175.072 174.600 0.031 0.000 0.980 264 S CA 0.142 58.375 58.200 0.055 0.000 0.907 264 S CB -0.119 63.126 63.200 0.074 0.000 0.790 264 S HN 0.862 nan 8.310 nan 0.000 0.510 265 S N 0.060 115.872 115.700 0.186 0.000 2.382 265 S HA 0.325 4.795 4.470 0.001 0.000 0.228 265 S C -0.095 174.716 174.600 0.352 0.000 0.996 265 S CA -0.761 57.590 58.200 0.250 0.000 1.094 265 S CB 0.021 63.387 63.200 0.276 0.000 1.209 265 S HN 0.321 nan 8.310 nan 0.000 0.420 266 Y N 3.989 124.383 120.300 0.157 0.000 2.030 266 Y HA -0.254 4.296 4.550 0.001 0.000 0.272 266 Y C 2.391 178.367 175.900 0.126 0.000 1.185 266 Y CA 2.921 61.094 58.100 0.122 0.000 1.120 266 Y CB -0.368 38.134 38.460 0.070 0.000 0.955 266 Y HN 0.656 nan 8.280 nan 0.000 0.495 267 S N -0.681 115.186 115.700 0.279 0.000 2.356 267 S HA -0.267 4.203 4.470 0.001 0.000 0.223 267 S C 1.527 176.023 174.600 -0.175 0.000 1.032 267 S CA 1.309 59.517 58.200 0.014 0.000 1.005 267 S CB -0.948 62.206 63.200 -0.076 0.000 0.867 267 S HN 0.751 nan 8.310 nan 0.000 0.449 268 W N 1.625 122.823 121.300 -0.171 0.000 2.317 268 W HA -0.249 4.411 4.660 0.001 0.000 0.318 268 W C 1.893 178.338 176.519 -0.123 0.000 1.227 268 W CA 1.600 58.888 57.345 -0.096 0.000 1.269 268 W CB -0.890 28.669 29.460 0.166 0.000 1.155 268 W HN 0.282 nan 8.180 nan 0.000 0.484 269 F N 0.808 120.620 119.950 -0.229 0.000 2.046 269 F HA -0.298 4.229 4.527 0.001 0.000 0.297 269 F C 2.310 177.732 175.800 -0.630 0.000 1.123 269 F CA 2.465 60.146 58.000 -0.532 0.000 1.199 269 F CB -0.866 38.010 39.000 -0.206 0.000 0.972 269 F HN -0.204 nan 8.300 nan 0.000 0.474 270 I N 0.128 120.526 120.570 -0.286 0.000 2.185 270 I HA -0.305 3.865 4.170 0.001 0.000 0.246 270 I C 2.456 178.315 176.117 -0.429 0.000 1.088 270 I CA 1.438 62.534 61.300 -0.339 0.000 1.347 270 I CB -1.444 36.382 38.000 -0.289 0.000 1.041 270 I HN 0.301 nan 8.210 nan 0.000 0.415 271 L N 1.178 122.117 121.223 -0.473 0.000 2.027 271 L HA -0.160 4.180 4.340 0.001 0.000 0.206 271 L C 2.388 178.931 176.870 -0.545 0.000 1.074 271 L CA 1.853 56.424 54.840 -0.450 0.000 0.745 271 L CB -0.608 41.189 42.059 -0.437 0.000 0.898 271 L HN 0.101 nan 8.230 nan 0.000 0.433 272 K N -0.982 118.909 120.400 -0.847 0.000 2.442 272 K HA -0.012 4.308 4.320 0.001 0.000 0.198 272 K C 1.392 177.422 176.600 -0.951 0.000 1.042 272 K CA 1.359 57.073 56.287 -0.956 0.000 0.958 272 K CB -0.383 31.212 32.500 -1.510 0.000 0.766 272 K HN 0.629 nan 8.250 nan 0.000 0.474 273 T N -2.405 111.616 114.554 -0.888 0.000 3.043 273 T HA 0.084 4.434 4.350 0.001 0.000 0.272 273 T C 1.383 175.831 174.700 -0.421 0.000 0.990 273 T CA -0.437 61.249 62.100 -0.690 0.000 0.897 273 T CB 0.147 68.508 68.868 -0.845 0.000 1.111 273 T HN 0.211 nan 8.240 nan 0.000 0.529 274 K N 2.265 122.451 120.400 -0.357 0.000 2.444 274 K HA -0.106 4.214 4.320 0.001 0.000 0.200 274 K C 1.870 178.370 176.600 -0.167 0.000 1.045 274 K CA 1.740 57.890 56.287 -0.228 0.000 0.934 274 K CB -0.472 31.905 32.500 -0.205 0.000 0.756 274 K HN 0.461 nan 8.250 nan 0.000 0.477 275 S N -0.218 115.375 115.700 -0.178 0.000 2.557 275 S HA 0.181 4.651 4.470 0.001 0.000 0.223 275 S C 1.581 176.096 174.600 -0.141 0.000 0.969 275 S CA -0.560 57.570 58.200 -0.117 0.000 0.927 275 S CB -0.325 62.830 63.200 -0.075 0.000 0.806 275 S HN 0.312 nan 8.310 nan 0.000 0.489 276 I N 0.546 120.978 120.570 -0.231 0.000 2.127 276 I HA -0.156 4.014 4.170 0.001 0.000 0.241 276 I C 1.983 177.898 176.117 -0.338 0.000 1.075 276 I CA 1.648 62.753 61.300 -0.325 0.000 1.334 276 I CB -0.382 37.319 38.000 -0.497 0.000 1.040 276 I HN 0.277 nan 8.210 nan 0.000 0.405 277 F N 0.540 120.381 119.950 -0.181 0.000 2.113 277 F HA -0.075 4.452 4.527 0.001 0.000 0.297 277 F C -0.254 175.389 175.800 -0.262 0.000 1.103 277 F CA 1.327 59.194 58.000 -0.220 0.000 1.248 277 F CB -2.309 36.544 39.000 -0.245 0.000 0.999 277 F HN 0.045 nan 8.300 nan 0.000 0.475 278 P HA -0.173 nan 4.420 nan 0.000 0.215 278 P C 1.647 178.807 177.300 -0.235 0.000 1.157 278 P CA 1.566 64.504 63.100 -0.270 0.000 0.868 278 P CB -0.050 31.515 31.700 -0.225 0.000 0.788 279 Q N -0.943 118.827 119.800 -0.050 0.000 2.079 279 Q HA -0.056 4.284 4.340 0.001 0.000 0.200 279 Q C 1.242 177.227 176.000 -0.024 0.000 0.974 279 Q CA 1.148 56.974 55.803 0.039 0.000 0.840 279 Q CB -0.802 27.945 28.738 0.013 0.000 0.898 279 Q HN 0.410 nan 8.270 nan 0.000 0.430 280 N N 0.378 119.035 118.700 -0.072 0.000 2.313 280 N HA -0.000 4.740 4.740 0.001 0.000 0.207 280 N C 0.906 176.391 175.510 -0.042 0.000 1.141 280 N CA 0.731 53.747 53.050 -0.056 0.000 0.830 280 N CB 0.764 39.206 38.487 -0.076 0.000 1.008 280 N HN 0.379 nan 8.380 nan 0.000 0.481 281 T N -3.091 111.403 114.554 -0.099 0.000 3.384 281 T HA 0.033 4.383 4.350 0.001 0.000 0.151 281 T C 1.468 176.040 174.700 -0.212 0.000 0.896 281 T CA -0.287 61.732 62.100 -0.134 0.000 0.896 281 T CB -0.067 68.641 68.868 -0.267 0.000 1.319 281 T HN -0.089 nan 8.240 nan 0.000 0.293 282 L N 2.317 123.352 121.223 -0.313 0.000 1.991 282 L HA -0.129 4.211 4.340 0.001 0.000 0.221 282 L C 2.129 178.845 176.870 -0.256 0.000 1.079 282 L CA 2.268 56.893 54.840 -0.359 0.000 0.778 282 L CB -1.311 40.425 42.059 -0.539 0.000 0.893 282 L HN 0.540 nan 8.230 nan 0.000 0.437 283 H N -1.012 118.001 119.070 -0.095 0.000 2.556 283 H HA 0.240 4.796 4.556 0.001 0.000 0.273 283 H C 1.015 176.293 175.328 -0.083 0.000 1.030 283 H CA 0.791 56.797 56.048 -0.069 0.000 1.156 283 H CB -0.138 29.597 29.762 -0.045 0.000 1.326 283 H HN 0.421 nan 8.280 nan 0.000 0.609 284 S N -0.074 115.606 115.700 -0.032 0.000 2.993 284 S HA 0.152 4.623 4.470 0.001 0.000 0.257 284 S C 0.444 174.967 174.600 -0.129 0.000 0.997 284 S CA -0.449 57.719 58.200 -0.053 0.000 1.191 284 S CB 0.932 64.112 63.200 -0.033 0.000 1.143 284 S HN 0.074 nan 8.310 nan 0.000 0.655 285 M N 1.804 121.249 119.600 -0.259 0.000 2.243 285 M HA 0.233 4.713 4.480 0.001 0.000 0.341 285 M C 0.005 176.039 176.300 -0.444 0.000 1.130 285 M CA 0.340 55.298 55.300 -0.570 0.000 1.162 285 M CB -0.953 31.010 32.600 -1.060 0.000 1.497 285 M HN 0.382 nan 8.290 nan 0.000 0.456 286 Y N -0.947 119.325 120.300 -0.046 0.000 3.589 286 Y HA -0.230 4.320 4.550 0.001 0.000 0.218 286 Y C 1.105 177.015 175.900 0.018 0.000 1.234 286 Y CA 0.583 58.671 58.100 -0.020 0.000 1.576 286 Y CB -2.850 35.559 38.460 -0.084 0.000 1.487 286 Y HN 0.717 nan 8.280 nan 0.000 0.616 287 E N -0.205 120.056 120.200 0.101 0.000 2.267 287 E HA -0.106 4.245 4.350 0.001 0.000 0.197 287 E C 0.945 177.602 176.600 0.095 0.000 0.998 287 E CA 1.142 57.588 56.400 0.077 0.000 0.830 287 E CB 0.122 29.844 29.700 0.037 0.000 0.751 287 E HN 0.317 nan 8.360 nan 0.000 0.491 288 S N 0.005 115.777 115.700 0.121 0.000 2.538 288 S HA 0.520 4.990 4.470 0.001 0.000 0.288 288 S C -1.518 173.171 174.600 0.148 0.000 1.108 288 S CA -0.873 57.389 58.200 0.104 0.000 0.971 288 S CB 1.282 64.523 63.200 0.069 0.000 1.041 288 S HN 0.071 nan 8.310 nan 0.000 0.483 289 L N 3.984 125.274 121.223 0.111 0.000 2.470 289 L HA 0.620 4.960 4.340 0.001 0.000 0.268 289 L C 0.031 176.927 176.870 0.043 0.000 0.964 289 L CA 0.051 54.947 54.840 0.093 0.000 0.839 289 L CB 1.796 43.926 42.059 0.119 0.000 1.276 289 L HN 0.893 nan 8.230 nan 0.000 0.403 290 E N 2.545 122.757 120.200 0.020 0.000 2.306 290 E HA 0.432 4.783 4.350 0.001 0.000 0.201 290 E C 0.384 176.962 176.600 -0.036 0.000 0.874 290 E CA 0.430 56.827 56.400 -0.005 0.000 0.972 290 E CB 1.125 30.823 29.700 -0.003 0.000 0.957 290 E HN 0.800 nan 8.360 nan 0.000 0.492 291 G N -0.275 108.492 108.800 -0.056 0.000 2.846 291 G HA2 0.553 4.513 3.960 0.001 0.000 0.299 291 G HA3 0.553 4.513 3.960 0.001 0.000 0.299 291 G C -0.481 174.316 174.900 -0.171 0.000 1.242 291 G CA -0.158 44.864 45.100 -0.130 0.000 0.800 291 G HN 0.372 nan 8.290 nan 0.000 0.538 292 G N -2.335 106.269 108.800 -0.326 0.000 2.612 292 G HA2 0.365 4.326 3.960 0.001 0.000 0.686 292 G HA3 0.365 4.326 3.960 0.001 0.000 0.686 292 G C -1.472 173.097 174.900 -0.553 0.000 1.274 292 G CA -0.435 44.497 45.100 -0.281 0.000 0.849 292 G HN 1.190 nan 8.290 nan 0.000 0.595 293 Y N -0.632 119.712 120.300 0.074 0.000 2.425 293 Y HA 0.659 5.209 4.550 0.001 0.000 0.344 293 Y C 1.124 177.079 175.900 0.091 0.000 0.969 293 Y CA -0.266 57.863 58.100 0.048 0.000 1.052 293 Y CB 1.883 40.359 38.460 0.026 0.000 1.215 293 Y HN 1.178 nan 8.280 nan 0.000 0.451 294 C N 1.341 120.706 119.300 0.109 0.000 2.771 294 C HA 0.848 5.308 4.460 0.001 0.000 0.333 294 C C -2.747 172.277 174.990 0.058 0.000 1.267 294 C CA -3.065 55.972 59.018 0.032 0.000 1.721 294 C CB 2.091 29.683 27.740 -0.247 0.000 2.222 294 C HN 0.525 nan 8.230 nan 0.000 0.485 295 P HA 0.264 nan 4.420 nan 0.000 0.272 295 P C -1.137 176.174 177.300 0.018 0.000 1.240 295 P CA 0.215 63.383 63.100 0.114 0.000 0.791 295 P CB 0.355 32.133 31.700 0.129 0.000 0.978 296 N N 1.270 119.978 118.700 0.013 0.000 2.576 296 N HA 0.387 5.128 4.740 0.001 0.000 0.269 296 N C -1.859 173.645 175.510 -0.009 0.000 1.058 296 N CA -0.292 52.730 53.050 -0.047 0.000 0.860 296 N CB -0.132 38.289 38.487 -0.110 0.000 1.249 296 N HN 0.056 nan 8.380 nan 0.000 0.525 297 L N 1.369 122.654 121.223 0.104 0.000 2.333 297 L HA 0.576 4.917 4.340 0.001 0.000 0.269 297 L C 0.138 177.193 176.870 0.309 0.000 1.010 297 L CA -0.714 54.250 54.840 0.207 0.000 0.818 297 L CB 1.747 43.953 42.059 0.245 0.000 1.306 297 L HN 0.539 nan 8.230 nan 0.000 0.430 298 E N 1.100 121.449 120.200 0.248 0.000 2.183 298 E HA 0.213 4.563 4.350 0.001 0.000 0.271 298 E C -1.668 175.030 176.600 0.163 0.000 0.919 298 E CA -0.690 55.833 56.400 0.205 0.000 0.781 298 E CB 1.097 30.860 29.700 0.105 0.000 1.140 298 E HN 0.481 nan 8.360 nan 0.000 0.402 299 W N 7.303 128.455 121.300 -0.245 0.000 2.342 299 W HA 0.268 4.928 4.660 0.001 0.000 0.310 299 W C -1.204 175.049 176.519 -0.444 0.000 1.128 299 W CA -1.029 55.942 57.345 -0.622 0.000 1.322 299 W CB 0.170 29.116 29.460 -0.857 0.000 1.251 299 W HN 0.486 nan 8.180 nan 0.000 0.439 300 L N 4.754 125.933 121.223 -0.073 0.000 2.476 300 L HA 0.053 4.393 4.340 0.001 0.000 0.264 300 L C 0.925 177.670 176.870 -0.209 0.000 1.224 300 L CA 0.417 55.190 54.840 -0.111 0.000 0.821 300 L CB 0.190 42.197 42.059 -0.086 0.000 1.101 300 L HN 0.290 nan 8.230 nan 0.000 0.488 301 E N 2.086 122.172 120.200 -0.190 0.000 2.204 301 E HA 0.402 4.752 4.350 0.001 0.000 0.276 301 E C -2.116 174.377 176.600 -0.179 0.000 0.974 301 E CA -1.637 54.624 56.400 -0.231 0.000 0.815 301 E CB 0.832 30.420 29.700 -0.186 0.000 1.119 301 E HN 0.379 nan 8.360 nan 0.000 0.393 302 P HA 0.337 nan 4.420 nan 0.000 0.284 302 P C 0.288 177.362 177.300 -0.377 0.000 1.253 302 P CA -0.424 62.510 63.100 -0.276 0.000 0.800 302 P CB 1.377 32.942 31.700 -0.226 0.000 0.961 303 R N 0.971 121.120 120.500 -0.586 0.000 2.185 303 R HA -0.147 4.193 4.340 0.001 0.000 0.247 303 R C 2.206 178.184 176.300 -0.537 0.000 1.159 303 R CA 2.036 57.623 56.100 -0.855 0.000 0.988 303 R CB -0.512 28.909 30.300 -1.464 0.000 0.871 303 R HN 0.674 nan 8.270 nan 0.000 0.458 304 S N 0.487 115.889 115.700 -0.497 0.000 2.465 304 S HA -0.143 4.327 4.470 0.001 0.000 0.241 304 S C 1.004 175.292 174.600 -0.519 0.000 1.000 304 S CA 1.568 59.446 58.200 -0.536 0.000 0.964 304 S CB -0.064 62.938 63.200 -0.330 0.000 0.763 304 S HN 0.242 nan 8.310 nan 0.000 0.512 305 D N 0.170 120.379 120.400 -0.317 0.000 2.317 305 D HA 0.083 4.723 4.640 0.001 0.000 0.211 305 D C -0.334 175.991 176.300 0.041 0.000 0.966 305 D CA 0.421 54.364 54.000 -0.096 0.000 0.876 305 D CB -0.512 40.248 40.800 -0.067 0.000 0.927 305 D HN 0.461 nan 8.370 nan 0.000 0.519 306 Y N -0.650 119.717 120.300 0.112 0.000 3.389 306 Y HA -0.287 4.263 4.550 0.001 0.000 0.213 306 Y C 0.390 176.267 175.900 -0.039 0.000 1.272 306 Y CA 0.306 58.442 58.100 0.060 0.000 1.444 306 Y CB -2.079 36.475 38.460 0.157 0.000 1.445 306 Y HN -0.055 nan 8.280 nan 0.000 0.583 307 K N 0.806 121.102 120.400 -0.173 0.000 2.274 307 K HA 0.704 5.024 4.320 0.001 0.000 0.262 307 K C -0.752 175.648 176.600 -0.333 0.000 0.961 307 K CA -0.429 55.808 56.287 -0.082 0.000 0.833 307 K CB 0.825 33.311 32.500 -0.022 0.000 1.102 307 K HN 0.038 nan 8.250 nan 0.000 0.436 308 F N 2.823 122.755 119.950 -0.031 0.000 2.611 308 F HA 0.543 5.071 4.527 0.001 0.000 0.324 308 F C 0.015 175.815 175.800 -0.000 0.000 1.061 308 F CA -1.219 56.754 58.000 -0.046 0.000 0.954 308 F CB 1.995 40.920 39.000 -0.124 0.000 1.301 308 F HN 0.119 nan 8.300 nan 0.000 0.482 309 M N 1.810 121.544 119.600 0.224 0.000 2.259 309 M HA 0.246 4.727 4.480 0.001 0.000 0.304 309 M C -1.455 174.947 176.300 0.169 0.000 1.019 309 M CA -0.871 54.523 55.300 0.157 0.000 0.922 309 M CB 2.254 34.907 32.600 0.089 0.000 1.600 309 M HN 0.599 nan 8.290 nan 0.000 0.433 310 Y N 4.150 124.479 120.300 0.048 0.000 2.544 310 Y HA 0.188 4.739 4.550 0.001 0.000 0.330 310 Y C 0.016 175.932 175.900 0.026 0.000 1.136 310 Y CA 0.738 58.856 58.100 0.030 0.000 1.417 310 Y CB 0.542 39.003 38.460 0.002 0.000 1.229 310 Y HN 0.714 nan 8.280 nan 0.000 0.532 311 M N 6.481 125.717 119.600 -0.607 0.000 2.809 311 M HA 0.321 4.801 4.480 0.001 0.000 0.388 311 M C 0.491 176.407 176.300 -0.640 0.000 1.248 311 M CA 0.310 55.315 55.300 -0.491 0.000 0.885 311 M CB 0.321 32.802 32.600 -0.198 0.000 1.386 311 M HN 0.973 nan 8.290 nan 0.000 0.509 312 G N 1.130 109.138 108.800 -1.319 0.000 2.582 312 G HA2 -0.118 3.843 3.960 0.001 0.000 0.222 312 G HA3 -0.118 3.843 3.960 0.001 0.000 0.222 312 G C -0.858 173.859 174.900 -0.305 0.000 1.311 312 G CA -0.550 44.165 45.100 -0.641 0.000 0.915 312 G HN 0.535 nan 8.290 nan 0.000 0.528 313 V N -2.871 117.008 119.914 -0.058 0.000 2.732 313 V HA 0.893 5.013 4.120 0.001 0.000 0.310 313 V C 0.339 176.472 176.094 0.065 0.000 1.053 313 V CA -0.222 62.114 62.300 0.060 0.000 0.957 313 V CB 1.852 33.740 31.823 0.108 0.000 1.018 313 V HN 1.709 nan 8.190 nan 0.000 0.452 314 M N 5.633 125.274 119.600 0.068 0.000 2.047 314 M HA 0.641 5.121 4.480 0.001 0.000 0.342 314 M C -2.743 173.579 176.300 0.036 0.000 1.058 314 M CA -1.976 53.327 55.300 0.005 0.000 0.991 314 M CB 1.104 33.627 32.600 -0.128 0.000 1.474 314 M HN 0.492 nan 8.290 nan 0.000 0.419 315 P HA 0.163 nan 4.420 nan 0.000 0.268 315 P C -1.181 176.075 177.300 -0.073 0.000 1.204 315 P CA 0.109 63.186 63.100 -0.038 0.000 0.768 315 P CB 0.481 32.206 31.700 0.042 0.000 0.842 316 L N 2.126 123.247 121.223 -0.169 0.000 2.334 316 L HA 0.736 5.077 4.340 0.001 0.000 0.270 316 L C 0.694 177.568 176.870 0.005 0.000 1.018 316 L CA -0.245 54.578 54.840 -0.027 0.000 0.811 316 L CB 1.634 43.636 42.059 -0.096 0.000 1.271 316 L HN 0.510 nan 8.230 nan 0.000 0.443 317 S N -0.293 115.462 115.700 0.092 0.000 2.661 317 S HA 0.498 4.969 4.470 0.001 0.000 0.268 317 S C 0.367 174.961 174.600 -0.011 0.000 1.162 317 S CA -0.160 58.037 58.200 -0.004 0.000 0.817 317 S CB 1.022 64.190 63.200 -0.055 0.000 1.141 317 S HN 0.665 nan 8.310 nan 0.000 0.477 318 A N 1.116 123.914 122.820 -0.036 0.000 2.042 318 A HA -0.148 4.173 4.320 0.001 0.000 0.222 318 A C 1.940 179.475 177.584 -0.081 0.000 1.167 318 A CA 2.227 54.248 52.037 -0.028 0.000 0.649 318 A CB -1.123 17.858 19.000 -0.032 0.000 0.809 318 A HN 0.875 nan 8.150 nan 0.000 0.457 319 K N -1.942 118.330 120.400 -0.213 0.000 2.360 319 K HA -0.179 4.142 4.320 0.001 0.000 0.201 319 K C 0.403 176.706 176.600 -0.496 0.000 1.046 319 K CA 1.504 57.545 56.287 -0.411 0.000 0.940 319 K CB -0.201 31.915 32.500 -0.640 0.000 0.748 319 K HN 0.591 nan 8.250 nan 0.000 0.465 320 Y N -0.477 119.811 120.300 -0.020 0.000 2.557 320 Y HA 0.382 4.932 4.550 0.001 0.000 0.247 320 Y C 0.578 176.536 175.900 0.097 0.000 1.164 320 Y CA -0.582 57.508 58.100 -0.015 0.000 1.218 320 Y CB 0.098 38.475 38.460 -0.138 0.000 1.210 320 Y HN 0.017 nan 8.280 nan 0.000 0.529 321 A N 1.173 124.114 122.820 0.201 0.000 2.521 321 A HA 0.019 4.339 4.320 0.001 0.000 0.237 321 A C 0.803 178.515 177.584 0.214 0.000 1.087 321 A CA -0.390 51.773 52.037 0.210 0.000 0.777 321 A CB -0.003 19.072 19.000 0.124 0.000 1.035 321 A HN 0.477 nan 8.150 nan 0.000 0.510 322 R N 0.574 121.198 120.500 0.207 0.000 2.488 322 R HA 0.041 4.381 4.340 0.001 0.000 0.317 322 R C 1.091 177.438 176.300 0.079 0.000 0.941 322 R CA 0.789 56.975 56.100 0.144 0.000 1.076 322 R CB 0.133 30.489 30.300 0.092 0.000 0.917 322 R HN 0.875 nan 8.270 nan 0.000 0.407 323 S N 2.918 118.655 115.700 0.061 0.000 2.502 323 S HA 0.166 4.636 4.470 0.001 0.000 0.215 323 S C 0.777 175.352 174.600 -0.041 0.000 1.009 323 S CA -0.028 58.196 58.200 0.040 0.000 0.908 323 S CB 0.484 63.740 63.200 0.093 0.000 0.801 323 S HN 0.661 nan 8.310 nan 0.000 0.505 324 A N 3.012 125.714 122.820 -0.197 0.000 2.425 324 A HA 0.551 4.871 4.320 0.001 0.000 0.242 324 A C -2.366 175.094 177.584 -0.208 0.000 1.077 324 A CA -1.135 50.616 52.037 -0.476 0.000 0.781 324 A CB -0.784 17.773 19.000 -0.739 0.000 1.020 324 A HN 0.320 nan 8.150 nan 0.000 0.494 325 P HA 0.037 nan 4.420 nan 0.000 0.265 325 P C -0.129 177.140 177.300 -0.051 0.000 1.187 325 P CA 0.313 63.385 63.100 -0.047 0.000 0.766 325 P CB 0.492 32.192 31.700 0.001 0.000 0.820 326 S N 2.354 118.040 115.700 -0.023 0.000 2.499 326 S HA 0.090 4.561 4.470 0.001 0.000 0.275 326 S C 1.193 175.784 174.600 -0.016 0.000 1.257 326 S CA -0.620 57.569 58.200 -0.019 0.000 1.050 326 S CB -0.230 62.965 63.200 -0.008 0.000 0.937 326 S HN 0.447 nan 8.310 nan 0.000 0.490 327 N N 3.732 122.422 118.700 -0.017 0.000 2.322 327 N HA -0.038 4.702 4.740 0.001 0.000 0.194 327 N C 0.784 176.285 175.510 -0.014 0.000 1.126 327 N CA 0.312 53.353 53.050 -0.016 0.000 0.845 327 N CB -0.369 38.108 38.487 -0.016 0.000 0.976 327 N HN 0.777 nan 8.380 nan 0.000 0.475 328 D N 1.786 122.178 120.400 -0.013 0.000 2.160 328 D HA -0.282 4.358 4.640 0.001 0.000 0.189 328 D C 1.834 178.125 176.300 -0.016 0.000 1.003 328 D CA 2.022 56.014 54.000 -0.014 0.000 0.846 328 D CB 0.115 40.909 40.800 -0.010 0.000 0.949 328 D HN 0.315 nan 8.370 nan 0.000 0.446 329 K N 0.099 120.492 120.400 -0.012 0.000 2.001 329 K HA -0.253 4.068 4.320 0.001 0.000 0.214 329 K C 2.142 178.732 176.600 -0.017 0.000 1.050 329 K CA 1.742 58.022 56.287 -0.013 0.000 0.934 329 K CB -0.024 32.471 32.500 -0.008 0.000 0.718 329 K HN 0.060 nan 8.250 nan 0.000 0.443 330 K N -0.144 120.246 120.400 -0.016 0.000 2.097 330 K HA -0.118 4.202 4.320 0.001 0.000 0.206 330 K C 2.152 178.736 176.600 -0.027 0.000 1.049 330 K CA 1.172 57.447 56.287 -0.020 0.000 0.933 330 K CB -0.170 32.320 32.500 -0.017 0.000 0.717 330 K HN 0.268 nan 8.250 nan 0.000 0.442 331 A N 1.699 124.502 122.820 -0.028 0.000 1.883 331 A HA -0.209 4.111 4.320 0.001 0.000 0.217 331 A C 2.052 179.610 177.584 -0.044 0.000 1.186 331 A CA 1.548 53.562 52.037 -0.039 0.000 0.624 331 A CB -0.429 18.550 19.000 -0.036 0.000 0.822 331 A HN 0.224 nan 8.150 nan 0.000 0.444 332 R N -0.553 119.925 120.500 -0.036 0.000 2.115 332 R HA -0.065 4.276 4.340 0.001 0.000 0.230 332 R C 2.120 178.398 176.300 -0.037 0.000 1.111 332 R CA 1.275 57.354 56.100 -0.036 0.000 0.976 332 R CB -0.243 30.041 30.300 -0.027 0.000 0.870 332 R HN 0.681 nan 8.270 nan 0.000 0.445 333 E N 0.949 121.128 120.200 -0.036 0.000 2.051 333 E HA -0.196 4.154 4.350 0.001 0.000 0.192 333 E C 2.054 178.621 176.600 -0.056 0.000 0.991 333 E CA 0.918 57.292 56.400 -0.043 0.000 0.799 333 E CB -0.115 29.563 29.700 -0.037 0.000 0.748 333 E HN 0.231 nan 8.360 nan 0.000 0.449 334 L N 0.589 121.788 121.223 -0.040 0.000 2.012 334 L HA -0.162 4.178 4.340 0.001 0.000 0.210 334 L C 2.359 179.232 176.870 0.004 0.000 1.073 334 L CA 1.819 56.653 54.840 -0.011 0.000 0.748 334 L CB -0.528 41.525 42.059 -0.010 0.000 0.891 334 L HN 0.183 nan 8.230 nan 0.000 0.431 335 G N -1.107 107.675 108.800 -0.031 0.000 2.418 335 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 335 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 335 G C 1.379 176.267 174.900 -0.020 0.000 1.158 335 G CA 0.582 45.661 45.100 -0.033 0.000 0.771 335 G HN 0.369 nan 8.290 nan 0.000 0.545 336 E N 0.392 120.568 120.200 -0.040 0.000 2.072 336 E HA -0.101 4.249 4.350 0.001 0.000 0.191 336 E C 2.280 178.835 176.600 -0.076 0.000 0.985 336 E CA 0.821 57.196 56.400 -0.042 0.000 0.801 336 E CB -0.220 29.454 29.700 -0.043 0.000 0.750 336 E HN 0.498 nan 8.360 nan 0.000 0.452 337 K N -0.198 120.099 120.400 -0.172 0.000 2.283 337 K HA -0.118 4.203 4.320 0.001 0.000 0.202 337 K C 0.468 176.760 176.600 -0.512 0.000 1.048 337 K CA 0.798 56.865 56.287 -0.366 0.000 0.948 337 K CB 0.123 32.294 32.500 -0.549 0.000 0.742 337 K HN 0.080 nan 8.250 nan 0.000 0.458 338 Y N -0.367 119.930 120.300 -0.005 0.000 2.720 338 Y HA 0.278 4.828 4.550 0.001 0.000 0.268 338 Y C 0.754 176.775 175.900 0.201 0.000 1.142 338 Y CA -0.272 57.864 58.100 0.059 0.000 1.193 338 Y CB 0.949 39.266 38.460 -0.238 0.000 1.176 338 Y HN 0.162 nan 8.280 nan 0.000 0.542 339 G N 1.144 110.072 108.800 0.214 0.000 2.283 339 G HA2 -0.295 3.666 3.960 0.001 0.000 0.280 339 G HA3 -0.295 3.666 3.960 0.001 0.000 0.280 339 G C 0.368 175.357 174.900 0.149 0.000 1.029 339 G CA 0.893 46.121 45.100 0.213 0.000 0.840 339 G HN 0.521 nan 8.290 nan 0.000 0.505 340 L N 0.442 121.698 121.223 0.055 0.000 3.122 340 L HA 0.168 4.509 4.340 0.001 0.000 0.274 340 L C 2.335 179.160 176.870 -0.076 0.000 1.222 340 L CA 0.625 55.416 54.840 -0.082 0.000 1.028 340 L CB 0.346 42.340 42.059 -0.107 0.000 1.386 340 L HN 0.352 nan 8.230 nan 0.000 0.578 341 S N -1.395 114.286 115.700 -0.031 0.000 2.465 341 S HA -0.202 4.269 4.470 0.001 0.000 0.241 341 S C 2.082 176.661 174.600 -0.037 0.000 1.000 341 S CA 1.482 59.661 58.200 -0.034 0.000 0.964 341 S CB -0.105 63.086 63.200 -0.016 0.000 0.763 341 S HN 0.419 nan 8.310 nan 0.000 0.512 342 S N 0.925 116.606 115.700 -0.033 0.000 2.355 342 S HA -0.050 4.421 4.470 0.001 0.000 0.222 342 S C 1.805 176.380 174.600 -0.042 0.000 1.031 342 S CA 1.304 59.490 58.200 -0.024 0.000 0.993 342 S CB -0.578 62.617 63.200 -0.007 0.000 0.859 342 S HN 0.463 nan 8.310 nan 0.000 0.453 343 V N 1.376 121.241 119.914 -0.081 0.000 2.283 343 V HA -0.076 4.044 4.120 0.001 0.000 0.243 343 V C 2.515 178.540 176.094 -0.115 0.000 1.039 343 V CA 1.621 63.857 62.300 -0.106 0.000 1.016 343 V CB -0.873 30.837 31.823 -0.188 0.000 0.650 343 V HN 0.395 nan 8.190 nan 0.000 0.449 344 V N 1.246 121.081 119.914 -0.132 0.000 2.282 344 V HA -0.259 3.861 4.120 0.001 0.000 0.249 344 V C 2.650 178.706 176.094 -0.064 0.000 1.057 344 V CA 2.455 64.685 62.300 -0.118 0.000 1.032 344 V CB -1.425 30.336 31.823 -0.104 0.000 0.645 344 V HN 0.631 nan 8.190 nan 0.000 0.447 345 G N -0.669 108.104 108.800 -0.045 0.000 2.418 345 G HA2 -0.304 3.656 3.960 0.001 0.000 0.217 345 G HA3 -0.304 3.656 3.960 0.001 0.000 0.217 345 G C 1.496 176.392 174.900 -0.007 0.000 1.158 345 G CA 1.000 46.087 45.100 -0.023 0.000 0.771 345 G HN 0.538 nan 8.290 nan 0.000 0.545 346 E N 0.511 120.708 120.200 -0.004 0.000 2.110 346 E HA -0.016 4.334 4.350 0.001 0.000 0.193 346 E C 2.465 179.095 176.600 0.049 0.000 0.988 346 E CA 0.662 57.074 56.400 0.020 0.000 0.804 346 E CB -0.412 29.302 29.700 0.025 0.000 0.745 346 E HN 0.458 nan 8.360 nan 0.000 0.458 347 L N -0.135 121.113 121.223 0.042 0.000 2.109 347 L HA -0.059 4.281 4.340 0.001 0.000 0.207 347 L C 2.672 179.595 176.870 0.088 0.000 1.086 347 L CA 0.909 55.803 54.840 0.089 0.000 0.760 347 L CB -0.361 41.712 42.059 0.023 0.000 0.910 347 L HN 0.074 nan 8.230 nan 0.000 0.437 348 R N 0.281 120.801 120.500 0.033 0.000 2.075 348 R HA -0.155 4.185 4.340 0.001 0.000 0.232 348 R C 2.242 178.557 176.300 0.026 0.000 1.126 348 R CA 0.996 57.110 56.100 0.022 0.000 0.963 348 R CB -0.361 29.939 30.300 -0.001 0.000 0.858 348 R HN 0.311 nan 8.270 nan 0.000 0.435 349 K N 1.288 121.700 120.400 0.020 0.000 2.032 349 K HA -0.169 4.152 4.320 0.001 0.000 0.209 349 K C 2.061 178.660 176.600 -0.001 0.000 1.048 349 K CA 1.466 57.756 56.287 0.005 0.000 0.927 349 K CB 0.018 32.519 32.500 0.002 0.000 0.712 349 K HN 0.118 nan 8.250 nan 0.000 0.441 350 R N -0.315 120.200 120.500 0.026 0.000 2.075 350 R HA -0.042 4.299 4.340 0.001 0.000 0.232 350 R C 2.394 178.692 176.300 -0.003 0.000 1.126 350 R CA 1.681 57.773 56.100 -0.012 0.000 0.963 350 R CB -0.498 29.837 30.300 0.057 0.000 0.858 350 R HN 0.214 nan 8.270 nan 0.000 0.435 351 T N 1.439 116.050 114.554 0.095 0.000 2.803 351 T HA -0.139 4.212 4.350 0.001 0.000 0.269 351 T C 1.511 176.258 174.700 0.078 0.000 1.052 351 T CA 1.381 63.555 62.100 0.123 0.000 1.136 351 T CB -0.051 68.882 68.868 0.108 0.000 0.864 351 T HN 0.278 nan 8.240 nan 0.000 0.467 352 K N 0.813 121.230 120.400 0.028 0.000 2.365 352 K HA -0.014 4.306 4.320 0.001 0.000 0.199 352 K C 2.486 179.073 176.600 -0.021 0.000 1.045 352 K CA 1.229 57.521 56.287 0.009 0.000 0.962 352 K CB -0.061 32.438 32.500 -0.003 0.000 0.759 352 K HN 0.488 nan 8.250 nan 0.000 0.469 353 T N -1.980 112.519 114.554 -0.091 0.000 3.055 353 T HA -0.076 4.274 4.350 0.001 0.000 0.265 353 T C 0.487 175.019 174.700 -0.279 0.000 1.111 353 T CA 0.296 62.266 62.100 -0.217 0.000 1.118 353 T CB -0.238 68.418 68.868 -0.354 0.000 0.909 353 T HN -0.006 nan 8.240 nan 0.000 0.501 354 Y N 2.671 122.906 120.300 -0.109 0.000 2.556 354 Y HA 0.421 4.972 4.550 0.001 0.000 0.352 354 Y C 1.201 177.149 175.900 0.080 0.000 1.006 354 Y CA -1.072 57.002 58.100 -0.043 0.000 1.277 354 Y CB 0.807 39.212 38.460 -0.091 0.000 1.136 354 Y HN 0.097 nan 8.280 nan 0.000 0.523 355 V N -0.630 119.385 119.914 0.169 0.000 3.427 355 V HA 0.394 4.514 4.120 0.001 0.000 0.305 355 V C 0.124 176.299 176.094 0.136 0.000 1.412 355 V CA -0.223 62.175 62.300 0.164 0.000 1.086 355 V CB -0.093 31.770 31.823 0.067 0.000 0.964 355 V HN 0.473 nan 8.190 nan 0.000 0.439 356 K N 0.779 121.271 120.400 0.154 0.000 2.378 356 K HA 0.481 4.802 4.320 0.001 0.000 0.252 356 K C -1.264 175.382 176.600 0.076 0.000 0.931 356 K CA -0.794 55.529 56.287 0.059 0.000 0.794 356 K CB 2.100 34.618 32.500 0.031 0.000 1.181 356 K HN 0.466 nan 8.250 nan 0.000 0.425 357 H N 2.598 121.552 119.070 -0.192 0.000 2.723 357 H HA 0.205 4.761 4.556 0.001 0.000 0.294 357 H C -1.058 174.232 175.328 -0.062 0.000 1.079 357 H CA 0.351 56.276 56.048 -0.205 0.000 1.411 357 H CB 0.399 29.963 29.762 -0.329 0.000 1.439 357 H HN 0.686 nan 8.280 nan 0.000 0.474 358 D N 2.561 122.691 120.400 -0.450 0.000 2.851 358 D HA 0.003 4.644 4.640 0.001 0.000 0.339 358 D C 0.109 176.212 176.300 -0.329 0.000 1.347 358 D CA -0.701 53.042 54.000 -0.428 0.000 0.888 358 D CB -0.169 40.513 40.800 -0.197 0.000 1.431 358 D HN 0.306 nan 8.370 nan 0.000 0.509 359 F N 0.525 120.427 119.950 -0.080 0.000 2.095 359 F HA 0.055 4.582 4.527 0.001 0.000 0.298 359 F C 2.782 178.551 175.800 -0.052 0.000 1.104 359 F CA 1.739 59.695 58.000 -0.073 0.000 1.232 359 F CB -1.227 37.717 39.000 -0.092 0.000 0.987 359 F HN 0.546 nan 8.300 nan 0.000 0.475 360 A N 0.244 123.166 122.820 0.170 0.000 1.873 360 A HA -0.249 4.072 4.320 0.001 0.000 0.218 360 A C 2.425 180.081 177.584 0.121 0.000 1.193 360 A CA 2.748 54.877 52.037 0.153 0.000 0.629 360 A CB -1.349 17.756 19.000 0.176 0.000 0.826 360 A HN 0.438 nan 8.150 nan 0.000 0.447 361 S N -0.039 115.703 115.700 0.071 0.000 2.402 361 S HA -0.113 4.357 4.470 0.001 0.000 0.229 361 S C 1.775 176.277 174.600 -0.163 0.000 1.021 361 S CA 1.502 59.599 58.200 -0.171 0.000 0.974 361 S CB -1.206 62.013 63.200 0.032 0.000 0.800 361 S HN 1.025 nan 8.310 nan 0.000 0.484 362 V N 0.151 120.022 119.914 -0.072 0.000 2.719 362 V HA 0.144 4.265 4.120 0.001 0.000 0.252 362 V C 2.607 178.663 176.094 -0.064 0.000 1.065 362 V CA 1.427 63.694 62.300 -0.055 0.000 1.086 362 V CB -1.137 30.686 31.823 -0.000 0.000 0.700 362 V HN 0.477 nan 8.190 nan 0.000 0.467 363 R N -0.674 119.811 120.500 -0.024 0.000 2.115 363 R HA -0.150 4.190 4.340 0.001 0.000 0.226 363 R C 2.290 178.550 176.300 -0.067 0.000 1.100 363 R CA 1.644 57.725 56.100 -0.032 0.000 0.980 363 R CB -0.496 29.811 30.300 0.011 0.000 0.875 363 R HN 0.664 nan 8.270 nan 0.000 0.445 364 Y N 0.980 121.152 120.300 -0.212 0.000 2.200 364 Y HA -0.118 4.433 4.550 0.001 0.000 0.290 364 Y C 1.722 177.458 175.900 -0.273 0.000 1.137 364 Y CA 1.525 59.467 58.100 -0.263 0.000 1.163 364 Y CB -0.181 37.968 38.460 -0.518 0.000 0.988 364 Y HN -0.011 nan 8.280 nan 0.000 0.518 365 I N 0.245 120.552 120.570 -0.438 0.000 2.142 365 I HA -0.311 3.859 4.170 0.001 0.000 0.240 365 I C 2.783 178.640 176.117 -0.434 0.000 1.078 365 I CA 1.485 62.487 61.300 -0.496 0.000 1.343 365 I CB -0.566 37.243 38.000 -0.318 0.000 1.046 365 I HN 0.160 nan 8.210 nan 0.000 0.405 366 R N 1.510 121.824 120.500 -0.310 0.000 2.097 366 R HA -0.243 4.097 4.340 0.001 0.000 0.236 366 R C 1.757 177.863 176.300 -0.324 0.000 1.135 366 R CA 2.597 58.529 56.100 -0.279 0.000 0.934 366 R CB -0.851 29.337 30.300 -0.186 0.000 0.846 366 R HN 0.300 nan 8.270 nan 0.000 0.431 367 D N 0.187 120.406 120.400 -0.301 0.000 2.116 367 D HA -0.154 4.486 4.640 0.001 0.000 0.193 367 D C 1.824 177.862 176.300 -0.437 0.000 0.998 367 D CA 2.084 55.901 54.000 -0.305 0.000 0.836 367 D CB -0.326 40.345 40.800 -0.216 0.000 0.951 367 D HN 0.441 nan 8.370 nan 0.000 0.449 368 A N 0.275 122.769 122.820 -0.544 0.000 1.908 368 A HA -0.195 4.125 4.320 0.001 0.000 0.218 368 A C 2.119 179.262 177.584 -0.734 0.000 1.181 368 A CA 1.572 53.227 52.037 -0.636 0.000 0.627 368 A CB -0.589 18.051 19.000 -0.600 0.000 0.818 368 A HN 0.213 nan 8.150 nan 0.000 0.445 369 M N -0.674 118.610 119.600 -0.527 0.000 2.619 369 M HA 0.049 4.529 4.480 0.001 0.000 0.251 369 M C 1.995 178.028 176.300 -0.446 0.000 1.106 369 M CA 0.752 55.775 55.300 -0.461 0.000 1.086 369 M CB -0.054 32.279 32.600 -0.444 0.000 1.465 369 M HN 0.462 nan 8.290 nan 0.000 0.506 370 A N -0.945 121.605 122.820 -0.449 0.000 2.169 370 A HA -0.029 4.292 4.320 0.001 0.000 0.212 370 A C 1.908 179.268 177.584 -0.373 0.000 1.153 370 A CA 0.500 52.320 52.037 -0.361 0.000 0.756 370 A CB -0.667 18.149 19.000 -0.305 0.000 0.813 370 A HN 0.580 nan 8.150 nan 0.000 0.471 371 C N 0.340 119.298 119.300 -0.571 0.000 2.562 371 C HA 0.101 4.561 4.460 0.001 0.000 0.266 371 C C 1.067 175.870 174.990 -0.312 0.000 1.382 371 C CA 0.079 58.752 59.018 -0.575 0.000 1.742 371 C CB -1.583 25.512 27.740 -1.075 0.000 1.812 371 C HN 0.496 nan 8.230 nan 0.000 0.559 372 T N 1.411 115.829 114.554 -0.227 0.000 2.907 372 T HA 0.167 4.517 4.350 0.001 0.000 0.298 372 T C 0.370 175.034 174.700 -0.060 0.000 1.017 372 T CA 0.233 62.325 62.100 -0.013 0.000 1.118 372 T CB 0.904 69.749 68.868 -0.039 0.000 0.948 372 T HN 0.412 nan 8.240 nan 0.000 0.531 373 S N 1.358 117.046 115.700 -0.020 0.000 2.561 373 S HA 0.157 4.627 4.470 0.001 0.000 0.294 373 S C 1.363 175.916 174.600 -0.078 0.000 1.294 373 S CA -0.031 58.159 58.200 -0.016 0.000 1.055 373 S CB -0.028 63.180 63.200 0.014 0.000 0.819 373 S HN 0.938 nan 8.310 nan 0.000 0.503 374 G N 3.698 112.451 108.800 -0.078 0.000 3.453 374 G HA2 0.261 4.221 3.960 0.001 0.000 0.263 374 G HA3 0.261 4.221 3.960 0.001 0.000 0.263 374 G C 0.441 175.222 174.900 -0.198 0.000 1.060 374 G CA -0.253 44.751 45.100 -0.160 0.000 0.793 374 G HN 0.924 nan 8.290 nan 0.000 0.532 375 I N -2.292 118.230 120.570 -0.080 0.000 2.754 375 I HA 0.459 4.629 4.170 0.001 0.000 0.285 375 I C -0.593 175.459 176.117 -0.108 0.000 1.166 375 I CA -0.512 60.777 61.300 -0.019 0.000 1.417 375 I CB 0.550 38.617 38.000 0.111 0.000 1.382 375 I HN -0.149 nan 8.210 nan 0.000 0.588 376 F N 6.001 125.959 119.950 0.014 0.000 2.405 376 F HA 0.362 4.889 4.527 0.001 0.000 0.358 376 F C 0.097 175.908 175.800 0.018 0.000 1.151 376 F CA -0.417 57.590 58.000 0.012 0.000 1.161 376 F CB 0.558 39.566 39.000 0.013 0.000 1.245 376 F HN 0.346 nan 8.300 nan 0.000 0.545 377 L N 3.678 124.974 121.223 0.122 0.000 2.529 377 L HA 0.100 4.441 4.340 0.001 0.000 0.287 377 L C 0.085 177.053 176.870 0.163 0.000 1.241 377 L CA 0.506 55.392 54.840 0.076 0.000 0.857 377 L CB -0.014 42.009 42.059 -0.060 0.000 1.113 377 L HN 0.295 nan 8.230 nan 0.000 0.504 378 V N 3.038 123.071 119.914 0.198 0.000 2.888 378 V HA 0.786 4.906 4.120 0.001 0.000 0.309 378 V C -0.449 175.804 176.094 0.266 0.000 1.114 378 V CA -0.760 61.645 62.300 0.176 0.000 0.940 378 V CB 2.395 34.264 31.823 0.077 0.000 1.021 378 V HN 0.947 nan 8.190 nan 0.000 0.426 379 R N 0.745 121.310 120.500 0.109 0.000 2.716 379 R HA 0.630 4.970 4.340 0.001 0.000 0.271 379 R C -0.659 175.585 176.300 -0.094 0.000 1.028 379 R CA -0.586 55.528 56.100 0.023 0.000 0.883 379 R CB 1.581 31.802 30.300 -0.132 0.000 1.250 379 R HN 0.661 nan 8.270 nan 0.000 0.465 380 T N -1.008 113.506 114.554 -0.067 0.000 2.926 380 T HA 0.178 4.529 4.350 0.001 0.000 0.307 380 T C -1.764 172.926 174.700 -0.017 0.000 1.059 380 T CA -1.126 60.934 62.100 -0.066 0.000 1.122 380 T CB 0.953 69.858 68.868 0.060 0.000 0.972 380 T HN 0.369 nan 8.240 nan 0.000 0.545 381 P HA -0.135 nan 4.420 nan 0.000 0.215 381 P C 1.804 179.159 177.300 0.092 0.000 1.163 381 P CA 1.515 64.658 63.100 0.073 0.000 0.894 381 P CB -0.314 31.473 31.700 0.146 0.000 0.791 382 T N -0.103 114.548 114.554 0.162 0.000 2.620 382 T HA -0.229 4.122 4.350 0.001 0.000 0.267 382 T C 1.585 176.365 174.700 0.132 0.000 1.044 382 T CA 1.593 63.844 62.100 0.250 0.000 1.161 382 T CB -0.818 68.198 68.868 0.246 0.000 0.862 382 T HN 0.233 nan 8.240 nan 0.000 0.438 383 E N 0.570 120.800 120.200 0.049 0.000 2.077 383 E HA -0.080 4.270 4.350 0.001 0.000 0.193 383 E C 2.564 179.123 176.600 -0.068 0.000 0.989 383 E CA 1.235 57.622 56.400 -0.022 0.000 0.800 383 E CB -0.775 28.884 29.700 -0.068 0.000 0.746 383 E HN 0.480 nan 8.360 nan 0.000 0.452 384 T N 1.557 116.064 114.554 -0.078 0.000 2.652 384 T HA -0.119 4.231 4.350 0.001 0.000 0.267 384 T C 2.190 176.766 174.700 -0.207 0.000 1.039 384 T CA 1.464 63.491 62.100 -0.123 0.000 1.153 384 T CB -0.348 68.460 68.868 -0.101 0.000 0.863 384 T HN -0.034 nan 8.240 nan 0.000 0.428 385 V N 1.498 121.295 119.914 -0.194 0.000 2.332 385 V HA -0.107 4.013 4.120 0.001 0.000 0.248 385 V C 2.425 178.360 176.094 -0.264 0.000 1.055 385 V CA 1.482 63.583 62.300 -0.331 0.000 1.038 385 V CB -0.615 31.152 31.823 -0.092 0.000 0.651 385 V HN 0.459 nan 8.190 nan 0.000 0.450 386 L N -0.805 120.360 121.223 -0.098 0.000 2.395 386 L HA -0.088 4.252 4.340 0.001 0.000 0.218 386 L C 2.425 179.281 176.870 -0.023 0.000 1.130 386 L CA 1.101 55.916 54.840 -0.041 0.000 0.826 386 L CB -0.377 41.701 42.059 0.031 0.000 0.941 386 L HN 0.383 nan 8.230 nan 0.000 0.451 387 Q N -0.609 119.153 119.800 -0.063 0.000 2.402 387 Q HA -0.051 4.289 4.340 0.001 0.000 0.206 387 Q C 1.361 177.335 176.000 -0.043 0.000 0.919 387 Q CA 0.567 56.349 55.803 -0.036 0.000 0.923 387 Q CB 0.715 29.425 28.738 -0.047 0.000 1.048 387 Q HN 0.425 nan 8.270 nan 0.000 0.515 388 E N -0.810 119.313 120.200 -0.128 0.000 2.372 388 E HA 0.012 4.362 4.350 0.001 0.000 0.201 388 E C 0.122 176.739 176.600 0.027 0.000 0.938 388 E CA 0.412 56.733 56.400 -0.132 0.000 0.944 388 E CB 0.429 29.942 29.700 -0.313 0.000 0.937 388 E HN 0.226 nan 8.360 nan 0.000 0.495 389 Y N 0.468 120.727 120.300 -0.068 0.000 2.801 389 Y HA 0.317 4.868 4.550 0.001 0.000 0.318 389 Y C 1.332 177.297 175.900 0.109 0.000 1.073 389 Y CA -0.375 57.715 58.100 -0.017 0.000 1.360 389 Y CB 0.382 38.770 38.460 -0.120 0.000 1.220 389 Y HN -0.140 nan 8.280 nan 0.000 0.536 390 T N -1.639 113.052 114.554 0.228 0.000 3.182 390 T HA 0.071 4.422 4.350 0.001 0.000 0.244 390 T C 0.569 175.365 174.700 0.160 0.000 0.981 390 T CA 0.046 62.269 62.100 0.205 0.000 1.182 390 T CB 0.324 69.282 68.868 0.150 0.000 1.043 390 T HN 0.136 nan 8.240 nan 0.000 0.424 391 Q N 2.038 121.914 119.800 0.127 0.000 2.330 391 Q HA 0.355 4.695 4.340 0.001 0.000 0.279 391 Q C -0.795 175.276 176.000 0.118 0.000 1.024 391 Q CA 0.185 56.052 55.803 0.106 0.000 0.900 391 Q CB 0.679 29.465 28.738 0.081 0.000 1.221 391 Q HN 0.205 nan 8.270 nan 0.000 0.396 392 S N 2.679 118.445 115.700 0.110 0.000 2.503 392 S HA 0.500 4.970 4.470 0.001 0.000 0.301 392 S C -2.239 172.426 174.600 0.108 0.000 1.087 392 S CA -1.285 56.987 58.200 0.122 0.000 1.042 392 S CB 1.315 64.588 63.200 0.122 0.000 1.043 392 S HN 0.437 nan 8.310 nan 0.000 0.489 393 P HA 0.143 nan 4.420 nan 0.000 0.269 393 P C -0.689 176.664 177.300 0.087 0.000 1.209 393 P CA -0.234 62.937 63.100 0.118 0.000 0.776 393 P CB 0.387 32.196 31.700 0.181 0.000 0.876 394 E N 2.655 122.885 120.200 0.049 0.000 2.070 394 E HA 0.158 4.508 4.350 0.001 0.000 0.261 394 E C -0.522 176.071 176.600 -0.012 0.000 0.926 394 E CA -0.584 55.832 56.400 0.026 0.000 0.760 394 E CB 0.208 29.917 29.700 0.014 0.000 1.133 394 E HN 0.242 nan 8.360 nan 0.000 0.420 395 I N 5.282 125.853 120.570 0.003 0.000 2.357 395 I HA -0.007 4.163 4.170 0.001 0.000 0.300 395 I C 1.308 177.404 176.117 -0.036 0.000 1.159 395 I CA 0.405 61.677 61.300 -0.047 0.000 1.339 395 I CB 0.016 38.027 38.000 0.018 0.000 1.458 395 I HN 0.497 nan 8.210 nan 0.000 0.577 396 K N 3.570 123.923 120.400 -0.078 0.000 2.280 396 K HA 0.003 4.323 4.320 0.001 0.000 0.202 396 K C 0.246 176.845 176.600 -0.003 0.000 1.047 396 K CA 0.926 57.191 56.287 -0.037 0.000 0.942 396 K CB 0.312 32.778 32.500 -0.057 0.000 0.739 396 K HN 0.394 nan 8.250 nan 0.000 0.457 397 V N 2.758 122.665 119.914 -0.011 0.000 2.383 397 V HA 0.182 4.302 4.120 0.001 0.000 0.264 397 V C -2.512 173.641 176.094 0.098 0.000 1.001 397 V CA -1.782 60.550 62.300 0.054 0.000 0.828 397 V CB 0.724 32.596 31.823 0.083 0.000 1.069 397 V HN 0.015 nan 8.190 nan 0.000 0.451 398 P HA 0.179 nan 4.420 nan 0.000 0.269 398 P C -0.047 177.375 177.300 0.203 0.000 1.217 398 P CA 0.008 63.215 63.100 0.178 0.000 0.783 398 P CB 0.739 32.525 31.700 0.143 0.000 0.898 399 I N 3.213 123.931 120.570 0.247 0.000 2.396 399 I HA 0.144 4.314 4.170 0.001 0.000 0.289 399 I C -1.826 174.393 176.117 0.170 0.000 1.056 399 I CA -1.989 59.407 61.300 0.159 0.000 1.365 399 I CB 0.231 38.306 38.000 0.124 0.000 1.407 399 I HN 0.205 nan 8.210 nan 0.000 0.509 400 P HA -0.087 nan 4.420 nan 0.000 0.264 400 P C 0.423 177.817 177.300 0.156 0.000 1.183 400 P CA 0.087 63.239 63.100 0.086 0.000 0.763 400 P CB 0.523 32.235 31.700 0.020 0.000 0.807 401 Q N 3.843 123.755 119.800 0.187 0.000 2.181 401 Q HA -0.238 4.103 4.340 0.001 0.000 0.205 401 Q C 1.539 177.672 176.000 0.221 0.000 0.980 401 Q CA 1.681 57.638 55.803 0.255 0.000 0.862 401 Q CB -0.067 28.762 28.738 0.152 0.000 0.905 401 Q HN 0.459 nan 8.270 nan 0.000 0.429 402 K N -0.717 119.746 120.400 0.105 0.000 2.442 402 K HA -0.106 4.215 4.320 0.001 0.000 0.198 402 K C 0.455 177.053 176.600 -0.003 0.000 1.042 402 K CA 1.321 57.640 56.287 0.053 0.000 0.958 402 K CB 0.189 32.701 32.500 0.019 0.000 0.766 402 K HN 0.106 nan 8.250 nan 0.000 0.474 403 D N 0.103 120.458 120.400 -0.075 0.000 2.328 403 D HA 0.041 4.681 4.640 0.001 0.000 0.226 403 D C -0.622 175.405 176.300 -0.456 0.000 1.066 403 D CA 0.341 54.164 54.000 -0.295 0.000 0.861 403 D CB 0.053 40.597 40.800 -0.427 0.000 0.912 403 D HN 0.237 nan 8.370 nan 0.000 0.521 404 W N 0.886 122.147 121.300 -0.065 0.000 2.639 404 W HA 0.280 4.940 4.660 0.001 0.000 0.347 404 W C 1.150 177.643 176.519 -0.044 0.000 1.067 404 W CA -0.831 56.476 57.345 -0.063 0.000 1.218 404 W CB 0.697 30.134 29.460 -0.038 0.000 1.393 404 W HN -0.313 nan 8.180 nan 0.000 0.557 405 T N -0.781 113.898 114.554 0.207 0.000 2.833 405 T HA 0.677 5.027 4.350 0.001 0.000 0.292 405 T C 0.664 175.440 174.700 0.127 0.000 1.031 405 T CA -0.349 61.818 62.100 0.113 0.000 0.937 405 T CB 0.309 69.223 68.868 0.076 0.000 1.256 405 T HN 0.557 nan 8.240 nan 0.000 0.551 406 G N 0.361 109.209 108.800 0.079 0.000 2.616 406 G HA2 0.529 4.489 3.960 0.001 0.000 0.268 406 G HA3 0.529 4.489 3.960 0.001 0.000 0.268 406 G C -2.738 172.198 174.900 0.060 0.000 1.213 406 G CA -1.462 43.675 45.100 0.062 0.000 0.926 406 G HN 0.620 nan 8.290 nan 0.000 0.523 407 P HA 0.268 nan 4.420 nan 0.000 0.272 407 P C -0.380 176.931 177.300 0.019 0.000 1.223 407 P CA 0.040 63.155 63.100 0.025 0.000 0.784 407 P CB 0.835 32.540 31.700 0.008 0.000 0.923 408 I N 1.568 122.138 120.570 0.000 0.000 2.714 408 I HA 0.331 4.501 4.170 0.001 0.000 0.276 408 I C 0.979 177.078 176.117 -0.029 0.000 1.196 408 I CA -0.226 61.069 61.300 -0.008 0.000 1.068 408 I CB 0.507 38.488 38.000 -0.032 0.000 1.291 408 I HN 0.636 nan 8.210 nan 0.000 0.530 409 G N 4.101 112.899 108.800 -0.003 0.000 2.609 409 G HA2 -0.250 3.710 3.960 0.001 0.000 0.288 409 G HA3 -0.250 3.710 3.960 0.001 0.000 0.288 409 G C 0.691 175.577 174.900 -0.025 0.000 1.211 409 G CA 0.205 45.302 45.100 -0.006 0.000 0.963 409 G HN 0.468 nan 8.290 nan 0.000 0.541 410 E N 0.517 120.702 120.200 -0.025 0.000 2.431 410 E HA 0.213 4.564 4.350 0.001 0.000 0.200 410 E C 1.244 177.871 176.600 0.046 0.000 0.995 410 E CA 0.760 57.146 56.400 -0.023 0.000 0.915 410 E CB 0.475 30.147 29.700 -0.046 0.000 0.930 410 E HN 0.716 nan 8.360 nan 0.000 0.496 411 I N -1.593 118.990 120.570 0.022 0.000 2.783 411 I HA 0.442 4.612 4.170 0.001 0.000 0.312 411 I C -0.221 175.920 176.117 0.041 0.000 0.988 411 I CA -1.013 60.321 61.300 0.056 0.000 1.182 411 I CB 1.211 39.186 38.000 -0.041 0.000 1.368 411 I HN -0.305 nan 8.210 nan 0.000 0.511 412 R N 3.783 124.343 120.500 0.101 0.000 2.628 412 R HA 0.664 5.004 4.340 0.001 0.000 0.288 412 R C -1.183 175.362 176.300 0.408 0.000 0.980 412 R CA -0.761 55.460 56.100 0.202 0.000 0.891 412 R CB 2.032 32.426 30.300 0.157 0.000 1.188 412 R HN 0.632 nan 8.270 nan 0.000 0.450 413 I N 3.153 123.898 120.570 0.292 0.000 2.474 413 I HA 0.127 4.297 4.170 0.001 0.000 0.287 413 I C 0.400 176.521 176.117 0.007 0.000 1.048 413 I CA -0.446 60.977 61.300 0.206 0.000 1.383 413 I CB 0.876 38.942 38.000 0.110 0.000 1.412 413 I HN 0.367 nan 8.210 nan 0.000 0.531 414 L N 7.175 128.190 121.223 -0.347 0.000 2.433 414 L HA 0.165 4.505 4.340 0.001 0.000 0.284 414 L C 0.225 176.694 176.870 -0.669 0.000 1.120 414 L CA -0.313 54.025 54.840 -0.837 0.000 0.879 414 L CB -0.129 41.284 42.059 -1.076 0.000 1.232 414 L HN 0.635 nan 8.230 nan 0.000 0.454 415 K N 2.883 122.996 120.400 -0.478 0.000 2.550 415 K HA -0.105 4.215 4.320 0.001 0.000 0.280 415 K C 0.803 177.169 176.600 -0.389 0.000 0.987 415 K CA 0.216 56.300 56.287 -0.338 0.000 1.048 415 K CB 0.533 32.888 32.500 -0.242 0.000 0.879 415 K HN 0.581 nan 8.250 nan 0.000 0.491 416 D N 0.610 120.816 120.400 -0.324 0.000 2.392 416 D HA -0.132 4.509 4.640 0.001 0.000 0.228 416 D C 1.219 177.373 176.300 -0.243 0.000 1.003 416 D CA 0.840 54.655 54.000 -0.309 0.000 0.917 416 D CB -0.103 40.551 40.800 -0.243 0.000 0.890 416 D HN 0.604 nan 8.370 nan 0.000 0.532 417 T N -4.283 110.140 114.554 -0.218 0.000 3.065 417 T HA 0.009 4.359 4.350 0.001 0.000 0.252 417 T C 1.058 175.652 174.700 -0.176 0.000 1.099 417 T CA -0.085 61.915 62.100 -0.166 0.000 1.063 417 T CB -0.515 68.275 68.868 -0.130 0.000 0.948 417 T HN 0.081 nan 8.240 nan 0.000 0.506 418 T N 2.405 116.815 114.554 -0.241 0.000 2.937 418 T HA 0.167 4.518 4.350 0.001 0.000 0.316 418 T C 1.165 175.758 174.700 -0.179 0.000 1.079 418 T CA 0.440 62.398 62.100 -0.237 0.000 1.131 418 T CB 0.448 69.105 68.868 -0.352 0.000 1.000 418 T HN 0.498 nan 8.240 nan 0.000 0.549 419 S N 2.383 118.016 115.700 -0.112 0.000 2.554 419 S HA 0.247 4.718 4.470 0.001 0.000 0.226 419 S C 0.820 175.424 174.600 0.006 0.000 0.980 419 S CA -0.495 57.677 58.200 -0.048 0.000 0.939 419 S CB 0.205 63.396 63.200 -0.016 0.000 0.832 419 S HN 0.621 nan 8.310 nan 0.000 0.486 420 S N 1.070 116.748 115.700 -0.038 0.000 2.576 420 S HA 0.308 4.779 4.470 0.001 0.000 0.276 420 S C 1.038 175.692 174.600 0.091 0.000 1.339 420 S CA -0.612 57.608 58.200 0.034 0.000 1.039 420 S CB 0.269 63.443 63.200 -0.044 0.000 0.902 420 S HN 0.306 nan 8.310 nan 0.000 0.516 421 I N 4.611 125.331 120.570 0.249 0.000 2.850 421 I HA -0.005 4.165 4.170 0.001 0.000 0.266 421 I C 2.101 178.365 176.117 0.245 0.000 1.257 421 I CA 1.335 62.860 61.300 0.375 0.000 1.465 421 I CB -0.892 37.376 38.000 0.446 0.000 1.091 421 I HN 0.786 nan 8.210 nan 0.000 0.467 422 A N 0.134 122.973 122.820 0.032 0.000 2.067 422 A HA -0.215 4.105 4.320 0.001 0.000 0.219 422 A C 2.450 179.917 177.584 -0.195 0.000 1.158 422 A CA 1.376 53.246 52.037 -0.278 0.000 0.661 422 A CB -0.692 17.924 19.000 -0.641 0.000 0.801 422 A HN 0.494 nan 8.150 nan 0.000 0.452 423 R N -1.217 119.149 120.500 -0.224 0.000 2.113 423 R HA -0.244 4.096 4.340 0.001 0.000 0.244 423 R C 1.672 177.788 176.300 -0.308 0.000 1.142 423 R CA 2.460 58.332 56.100 -0.380 0.000 0.953 423 R CB -0.496 29.460 30.300 -0.573 0.000 0.860 423 R HN 0.583 nan 8.270 nan 0.000 0.438 424 Y N 0.013 120.343 120.300 0.050 0.000 2.373 424 Y HA -0.095 4.455 4.550 0.001 0.000 0.293 424 Y C 1.951 177.938 175.900 0.144 0.000 1.129 424 Y CA 0.628 58.788 58.100 0.100 0.000 1.226 424 Y CB -0.264 38.264 38.460 0.114 0.000 1.000 424 Y HN 0.161 nan 8.280 nan 0.000 0.549 425 L N -0.983 120.383 121.223 0.238 0.000 2.056 425 L HA -0.190 4.150 4.340 0.001 0.000 0.207 425 L C 2.161 179.228 176.870 0.328 0.000 1.078 425 L CA 1.694 56.688 54.840 0.257 0.000 0.749 425 L CB -1.005 41.082 42.059 0.048 0.000 0.901 425 L HN 0.288 nan 8.230 nan 0.000 0.433 426 Y N 0.275 120.607 120.300 0.053 0.000 2.242 426 Y HA -0.159 4.392 4.550 0.001 0.000 0.291 426 Y C 2.578 178.570 175.900 0.154 0.000 1.137 426 Y CA 1.574 59.711 58.100 0.062 0.000 1.181 426 Y CB -0.086 38.313 38.460 -0.101 0.000 0.989 426 Y HN 0.157 nan 8.280 nan 0.000 0.527 427 R N -0.998 119.694 120.500 0.319 0.000 2.062 427 R HA -0.122 4.219 4.340 0.001 0.000 0.231 427 R C 2.180 178.620 176.300 0.233 0.000 1.136 427 R CA 1.948 58.191 56.100 0.237 0.000 0.948 427 R CB -0.895 29.500 30.300 0.159 0.000 0.845 427 R HN 0.230 nan 8.270 nan 0.000 0.430 428 T N 0.136 114.831 114.554 0.235 0.000 2.665 428 T HA -0.191 4.159 4.350 0.001 0.000 0.268 428 T C 1.347 176.107 174.700 0.101 0.000 1.035 428 T CA 1.561 63.752 62.100 0.151 0.000 1.151 428 T CB -0.269 68.665 68.868 0.110 0.000 0.862 428 T HN 0.408 nan 8.240 nan 0.000 0.438 429 W N -0.027 121.332 121.300 0.098 0.000 2.467 429 W HA 0.099 4.759 4.660 0.001 0.000 0.275 429 W C 2.120 178.644 176.519 0.007 0.000 1.239 429 W CA -0.033 57.344 57.345 0.054 0.000 1.266 429 W CB -0.513 28.952 29.460 0.009 0.000 1.112 429 W HN 0.329 nan 8.180 nan 0.000 0.576 430 Y N -0.279 120.048 120.300 0.045 0.000 2.184 430 Y HA -0.204 4.346 4.550 0.001 0.000 0.290 430 Y C 2.291 178.190 175.900 -0.001 0.000 1.129 430 Y CA 1.361 59.434 58.100 -0.044 0.000 1.144 430 Y CB -0.538 37.867 38.460 -0.091 0.000 0.995 430 Y HN -0.244 nan 8.280 nan 0.000 0.513 431 L N 0.391 121.794 121.223 0.299 0.000 1.989 431 L HA -0.222 4.119 4.340 0.001 0.000 0.211 431 L C 2.625 179.489 176.870 -0.010 0.000 1.071 431 L CA 2.198 57.141 54.840 0.171 0.000 0.749 431 L CB -1.831 40.325 42.059 0.162 0.000 0.890 431 L HN 0.462 nan 8.230 nan 0.000 0.431 432 A N -0.524 122.293 122.820 -0.006 0.000 1.877 432 A HA -0.181 4.139 4.320 0.001 0.000 0.216 432 A C 2.487 179.912 177.584 -0.265 0.000 1.186 432 A CA 2.066 54.045 52.037 -0.096 0.000 0.620 432 A CB -0.821 18.184 19.000 0.009 0.000 0.822 432 A HN 0.478 nan 8.150 nan 0.000 0.443 433 A N -0.138 122.611 122.820 -0.118 0.000 1.908 433 A HA 0.079 4.399 4.320 0.001 0.000 0.218 433 A C 2.529 179.968 177.584 -0.241 0.000 1.181 433 A CA 2.431 54.386 52.037 -0.135 0.000 0.627 433 A CB -1.112 17.837 19.000 -0.085 0.000 0.818 433 A HN 1.147 nan 8.150 nan 0.000 0.445 434 A N -0.308 122.343 122.820 -0.283 0.000 1.902 434 A HA -0.183 4.138 4.320 0.001 0.000 0.217 434 A C 2.267 179.703 177.584 -0.246 0.000 1.181 434 A CA 1.617 53.500 52.037 -0.257 0.000 0.623 434 A CB -0.457 18.410 19.000 -0.221 0.000 0.818 434 A HN 0.574 nan 8.150 nan 0.000 0.443 435 R N -1.319 118.956 120.500 -0.375 0.000 2.090 435 R HA -0.019 4.321 4.340 0.001 0.000 0.228 435 R C 2.346 178.294 176.300 -0.587 0.000 1.110 435 R CA 1.251 57.054 56.100 -0.494 0.000 0.973 435 R CB -0.384 29.497 30.300 -0.697 0.000 0.869 435 R HN 0.631 nan 8.270 nan 0.000 0.440 436 M N 0.819 119.991 119.600 -0.713 0.000 2.067 436 M HA -0.083 4.398 4.480 0.001 0.000 0.260 436 M C 1.995 178.170 176.300 -0.209 0.000 1.069 436 M CA 2.107 57.173 55.300 -0.390 0.000 1.117 436 M CB -0.351 32.117 32.600 -0.220 0.000 1.334 436 M HN 0.156 nan 8.290 nan 0.000 0.407 437 A N -0.149 122.572 122.820 -0.164 0.000 2.172 437 A HA 0.169 4.490 4.320 0.001 0.000 0.216 437 A C 2.148 179.840 177.584 0.180 0.000 1.154 437 A CA 1.388 53.416 52.037 -0.015 0.000 0.701 437 A CB -0.835 18.188 19.000 0.038 0.000 0.789 437 A HN 0.690 nan 8.150 nan 0.000 0.465 438 A N -0.722 122.114 122.820 0.026 0.000 2.072 438 A HA 0.080 4.400 4.320 0.001 0.000 0.216 438 A C 1.157 178.798 177.584 0.095 0.000 1.156 438 A CA 0.038 52.113 52.037 0.062 0.000 0.701 438 A CB -0.190 18.793 19.000 -0.028 0.000 0.816 438 A HN 0.638 nan 8.150 nan 0.000 0.458 439 Q N 0.023 119.838 119.800 0.024 0.000 2.330 439 Q HA 0.094 4.434 4.340 0.001 0.000 0.279 439 Q C -1.722 174.312 176.000 0.058 0.000 1.024 439 Q CA -1.403 54.399 55.803 -0.002 0.000 0.900 439 Q CB 0.428 29.112 28.738 -0.090 0.000 1.221 439 Q HN 0.197 nan 8.270 nan 0.000 0.396 440 P HA -0.192 nan 4.420 nan 0.000 0.216 440 P C 1.045 178.373 177.300 0.047 0.000 1.153 440 P CA 1.084 64.266 63.100 0.136 0.000 0.848 440 P CB 0.120 31.866 31.700 0.076 0.000 0.787 441 R N -0.339 120.102 120.500 -0.099 0.000 2.133 441 R HA -0.154 4.186 4.340 0.001 0.000 0.247 441 R C 1.718 177.759 176.300 -0.431 0.000 1.151 441 R CA 2.214 58.175 56.100 -0.233 0.000 0.971 441 R CB -1.173 28.928 30.300 -0.332 0.000 0.866 441 R HN 0.078 nan 8.270 nan 0.000 0.447 442 T N -0.326 113.872 114.554 -0.593 0.000 2.778 442 T HA -0.178 4.173 4.350 0.001 0.000 0.269 442 T C 0.617 174.990 174.700 -0.545 0.000 1.050 442 T CA 1.770 63.433 62.100 -0.729 0.000 1.137 442 T CB -0.241 68.108 68.868 -0.865 0.000 0.860 442 T HN 0.543 nan 8.240 nan 0.000 0.468 443 W N 1.418 122.784 121.300 0.110 0.000 3.353 443 W HA 0.294 4.955 4.660 0.001 0.000 0.304 443 W C 0.628 177.224 176.519 0.130 0.000 1.273 443 W CA -0.945 56.493 57.345 0.155 0.000 1.773 443 W CB 0.124 29.633 29.460 0.081 0.000 1.095 443 W HN 0.082 nan 8.180 nan 0.000 0.676 444 D N 1.308 121.823 120.400 0.192 0.000 2.348 444 D HA 0.024 4.665 4.640 0.001 0.000 0.253 444 D C -1.507 174.889 176.300 0.160 0.000 1.161 444 D CA -1.537 52.558 54.000 0.160 0.000 0.876 444 D CB 1.936 42.802 40.800 0.109 0.000 1.160 444 D HN -0.140 nan 8.370 nan 0.000 0.459 445 P HA -0.168 nan 4.420 nan 0.000 0.217 445 P C 1.409 178.729 177.300 0.034 0.000 1.148 445 P CA 0.547 63.685 63.100 0.063 0.000 0.834 445 P CB 0.238 31.967 31.700 0.049 0.000 0.783 446 L N -1.729 119.528 121.223 0.057 0.000 2.044 446 L HA -0.042 4.298 4.340 0.001 0.000 0.205 446 L C 2.179 179.079 176.870 0.050 0.000 1.075 446 L CA 1.596 56.458 54.840 0.037 0.000 0.747 446 L CB -1.482 40.603 42.059 0.044 0.000 0.903 446 L HN -0.128 nan 8.230 nan 0.000 0.435 447 F N 0.521 120.448 119.950 -0.040 0.000 2.095 447 F HA -0.269 4.258 4.527 0.000 0.000 0.298 447 F C 2.400 178.152 175.800 -0.081 0.000 1.104 447 F CA 2.034 60.006 58.000 -0.046 0.000 1.232 447 F CB -0.374 38.602 39.000 -0.039 0.000 0.987 447 F HN 0.258 nan 8.300 nan 0.000 0.475 448 Q N -0.221 119.509 119.800 -0.116 0.000 2.364 448 Q HA -0.069 4.272 4.340 0.001 0.000 0.207 448 Q C 2.326 178.148 176.000 -0.296 0.000 0.970 448 Q CA 0.910 56.522 55.803 -0.319 0.000 0.888 448 Q CB -0.318 28.270 28.738 -0.250 0.000 0.951 448 Q HN 0.564 nan 8.270 nan 0.000 0.469 449 A N 0.969 123.678 122.820 -0.185 0.000 1.874 449 A HA -0.074 4.246 4.320 0.001 0.000 0.214 449 A C 2.007 179.502 177.584 -0.148 0.000 1.189 449 A CA 0.539 52.490 52.037 -0.144 0.000 0.615 449 A CB -0.376 18.577 19.000 -0.079 0.000 0.830 449 A HN 0.225 nan 8.150 nan 0.000 0.443 450 I N -0.358 120.109 120.570 -0.171 0.000 2.118 450 I HA -0.327 3.844 4.170 0.001 0.000 0.241 450 I C 2.696 178.674 176.117 -0.232 0.000 1.070 450 I CA 1.435 62.637 61.300 -0.164 0.000 1.327 450 I CB -0.378 37.526 38.000 -0.161 0.000 1.034 450 I HN 0.283 nan 8.210 nan 0.000 0.405 451 M N 0.128 119.500 119.600 -0.380 0.000 2.073 451 M HA -0.240 4.240 4.480 0.001 0.000 0.258 451 M C 2.350 178.468 176.300 -0.303 0.000 1.070 451 M CA 1.857 56.958 55.300 -0.332 0.000 1.103 451 M CB -1.353 30.994 32.600 -0.422 0.000 1.321 451 M HN 0.194 nan 8.290 nan 0.000 0.405 452 R N -0.042 120.274 120.500 -0.306 0.000 2.241 452 R HA -0.089 4.251 4.340 0.001 0.000 0.224 452 R C 2.234 178.308 176.300 -0.377 0.000 1.101 452 R CA 1.507 57.401 56.100 -0.343 0.000 0.995 452 R CB -0.246 29.892 30.300 -0.269 0.000 0.870 452 R HN 0.520 nan 8.270 nan 0.000 0.463 453 S N -0.776 114.801 115.700 -0.204 0.000 2.503 453 S HA -0.081 4.390 4.470 0.001 0.000 0.215 453 S C 1.880 176.382 174.600 -0.163 0.000 1.003 453 S CA -0.061 58.140 58.200 0.001 0.000 0.910 453 S CB 0.321 63.674 63.200 0.254 0.000 0.790 453 S HN 0.316 nan 8.310 nan 0.000 0.514 454 Q N 1.285 120.923 119.800 -0.270 0.000 2.045 454 Q HA -0.232 4.108 4.340 0.001 0.000 0.206 454 Q C 1.667 177.612 176.000 -0.092 0.000 0.991 454 Q CA 2.267 57.989 55.803 -0.135 0.000 0.851 454 Q CB -0.493 28.212 28.738 -0.055 0.000 0.911 454 Q HN 0.946 nan 8.270 nan 0.000 0.418 455 Y N -1.788 118.512 120.300 -0.000 0.000 2.490 455 Y HA 0.394 4.944 4.550 0.000 0.000 0.281 455 Y C 0.110 175.937 175.900 -0.122 0.000 1.174 455 Y CA -0.539 57.540 58.100 -0.035 0.000 1.295 455 Y CB -0.007 38.450 38.460 -0.006 0.000 1.062 455 Y HN -0.178 nan 8.280 nan 0.000 0.522 456 V N 3.546 123.298 119.914 -0.270 0.000 2.223 456 V HA 0.213 4.333 4.120 0.001 0.000 0.249 456 V C 0.361 176.170 176.094 -0.474 0.000 1.233 456 V CA 0.240 62.241 62.300 -0.499 0.000 1.131 456 V CB -0.834 30.395 31.823 -0.989 0.000 1.298 456 V HN 0.597 nan 8.190 nan 0.000 0.498 457 T N 0.740 115.139 114.554 -0.259 0.000 2.907 457 T HA 0.683 5.033 4.350 0.001 0.000 0.290 457 T C 0.733 175.354 174.700 -0.131 0.000 1.066 457 T CA -0.145 61.855 62.100 -0.167 0.000 1.012 457 T CB 2.189 71.022 68.868 -0.058 0.000 1.184 457 T HN 0.363 nan 8.240 nan 0.000 0.522 458 A N 0.632 123.407 122.820 -0.075 0.000 2.265 458 A HA 0.290 4.610 4.320 0.001 0.000 0.213 458 A C 0.940 178.502 177.584 -0.036 0.000 1.255 458 A CA -0.220 51.787 52.037 -0.049 0.000 0.862 458 A CB -0.545 18.439 19.000 -0.027 0.000 0.852 458 A HN 0.551 nan 8.150 nan 0.000 0.484 459 R N -0.897 119.584 120.500 -0.032 0.000 2.700 459 R HA 0.519 4.859 4.340 0.001 0.000 0.253 459 R C 0.676 176.967 176.300 -0.015 0.000 1.091 459 R CA -0.061 56.028 56.100 -0.018 0.000 1.104 459 R CB 0.120 30.417 30.300 -0.006 0.000 1.202 459 R HN 0.198 nan 8.270 nan 0.000 0.532 460 G N -1.419 107.376 108.800 -0.009 0.000 2.572 460 G HA2 0.406 4.366 3.960 0.001 0.000 0.261 460 G HA3 0.406 4.366 3.960 0.001 0.000 0.261 460 G C 0.053 174.955 174.900 0.004 0.000 1.197 460 G CA -0.065 45.031 45.100 -0.006 0.000 0.870 460 G HN 0.542 nan 8.290 nan 0.000 0.548 461 G N -1.620 107.184 108.800 0.006 0.000 5.482 461 G HA2 0.379 4.339 3.960 0.001 0.000 0.208 461 G HA3 0.379 4.339 3.960 0.001 0.000 0.208 461 G C 0.260 175.166 174.900 0.010 0.000 0.756 461 G CA 0.654 45.760 45.100 0.011 0.000 0.682 461 G HN 1.294 nan 8.290 nan 0.000 0.405 462 S N -0.656 115.044 115.700 -0.000 0.000 3.631 462 S HA -0.230 4.240 4.470 0.001 0.000 0.366 462 S C 2.089 176.691 174.600 0.002 0.000 0.993 462 S CA 0.958 59.152 58.200 -0.010 0.000 1.167 462 S CB -1.350 61.847 63.200 -0.006 0.000 0.909 462 S HN 1.349 nan 8.310 nan 0.000 0.478 463 G N 1.331 110.138 108.800 0.012 0.000 2.505 463 G HA2 -0.111 3.849 3.960 0.001 0.000 0.220 463 G HA3 -0.111 3.849 3.960 0.001 0.000 0.220 463 G C 1.507 176.425 174.900 0.030 0.000 1.145 463 G CA 1.196 46.319 45.100 0.038 0.000 0.761 463 G HN 1.010 nan 8.290 nan 0.000 0.571 464 A N 1.190 124.011 122.820 0.001 0.000 1.858 464 A HA 0.262 4.583 4.320 0.001 0.000 0.216 464 A C 2.876 180.455 177.584 -0.008 0.000 1.190 464 A CA 2.447 54.478 52.037 -0.010 0.000 0.617 464 A CB -0.974 18.006 19.000 -0.033 0.000 0.827 464 A HN 0.934 nan 8.150 nan 0.000 0.443 465 A N -0.471 122.342 122.820 -0.013 0.000 1.940 465 A HA -0.097 4.223 4.320 0.001 0.000 0.219 465 A C 2.217 179.807 177.584 0.010 0.000 1.176 465 A CA 1.713 53.745 52.037 -0.007 0.000 0.631 465 A CB -0.665 18.326 19.000 -0.014 0.000 0.814 465 A HN 0.743 nan 8.150 nan 0.000 0.446 466 L N -0.576 120.657 121.223 0.016 0.000 2.017 466 L HA -0.138 4.202 4.340 0.001 0.000 0.208 466 L C 2.561 179.453 176.870 0.037 0.000 1.073 466 L CA 2.285 57.140 54.840 0.025 0.000 0.745 466 L CB -0.314 41.763 42.059 0.030 0.000 0.894 466 L HN 0.444 nan 8.230 nan 0.000 0.432 467 R N -0.164 120.362 120.500 0.044 0.000 2.120 467 R HA -0.193 4.147 4.340 0.001 0.000 0.234 467 R C 2.079 178.420 176.300 0.067 0.000 1.123 467 R CA 1.817 57.950 56.100 0.055 0.000 0.975 467 R CB -0.240 30.091 30.300 0.052 0.000 0.866 467 R HN 0.737 nan 8.270 nan 0.000 0.446 468 E N -0.496 119.733 120.200 0.047 0.000 2.250 468 E HA -0.070 4.280 4.350 0.001 0.000 0.192 468 E C 1.669 178.350 176.600 0.135 0.000 0.986 468 E CA 0.922 57.369 56.400 0.077 0.000 0.849 468 E CB 0.024 29.724 29.700 -0.001 0.000 0.797 468 E HN 0.363 nan 8.360 nan 0.000 0.482 469 S N 1.096 116.841 115.700 0.075 0.000 2.383 469 S HA -0.112 4.358 4.470 0.001 0.000 0.227 469 S C 1.999 176.632 174.600 0.055 0.000 1.026 469 S CA 0.477 58.709 58.200 0.054 0.000 0.981 469 S CB -0.262 62.950 63.200 0.019 0.000 0.818 469 S HN 0.117 nan 8.310 nan 0.000 0.472 470 L N 0.648 121.910 121.223 0.064 0.000 2.109 470 L HA 0.146 4.486 4.340 0.001 0.000 0.207 470 L C 2.372 179.282 176.870 0.067 0.000 1.086 470 L CA 1.497 56.366 54.840 0.048 0.000 0.760 470 L CB -1.318 40.768 42.059 0.045 0.000 0.910 470 L HN 0.543 nan 8.230 nan 0.000 0.437 471 Y N 0.102 120.395 120.300 -0.012 0.000 2.333 471 Y HA -0.214 4.337 4.550 0.001 0.000 0.290 471 Y C 2.219 178.113 175.900 -0.011 0.000 1.144 471 Y CA 1.281 59.374 58.100 -0.012 0.000 1.228 471 Y CB -0.263 38.192 38.460 -0.009 0.000 0.985 471 Y HN 0.140 nan 8.280 nan 0.000 0.542 472 A N 0.938 123.749 122.820 -0.016 0.000 2.121 472 A HA -0.062 4.258 4.320 0.001 0.000 0.218 472 A C 1.853 179.353 177.584 -0.140 0.000 1.154 472 A CA 1.485 53.466 52.037 -0.092 0.000 0.679 472 A CB -1.241 17.771 19.000 0.020 0.000 0.795 472 A HN 0.750 nan 8.150 nan 0.000 0.458 473 I N -5.927 114.576 120.570 -0.112 0.000 3.936 473 I HA 0.296 4.466 4.170 0.001 0.000 0.330 473 I C 0.168 176.224 176.117 -0.102 0.000 1.509 473 I CA -0.349 60.900 61.300 -0.086 0.000 1.126 473 I CB 0.008 37.986 38.000 -0.036 0.000 1.115 473 I HN 0.127 nan 8.210 nan 0.000 0.424 474 N N 1.941 120.529 118.700 -0.186 0.000 2.708 474 N HA -0.138 4.603 4.740 0.001 0.000 0.255 474 N C -1.213 174.241 175.510 -0.093 0.000 1.046 474 N CA 0.585 53.530 53.050 -0.175 0.000 0.715 474 N CB -0.559 37.843 38.487 -0.142 0.000 0.895 474 N HN 0.356 nan 8.380 nan 0.000 0.545 475 V N 1.799 121.676 119.914 -0.061 0.000 2.419 475 V HA 0.337 4.458 4.120 0.001 0.000 0.287 475 V C -0.082 176.008 176.094 -0.007 0.000 1.017 475 V CA -0.668 61.604 62.300 -0.048 0.000 0.844 475 V CB 1.778 33.580 31.823 -0.035 0.000 1.011 475 V HN 0.384 nan 8.190 nan 0.000 0.429 476 S N 6.014 121.704 115.700 -0.015 0.000 2.462 476 S HA 0.799 5.270 4.470 0.001 0.000 0.294 476 S C -0.459 174.123 174.600 -0.029 0.000 1.144 476 S CA -0.727 57.479 58.200 0.010 0.000 1.088 476 S CB 1.505 64.716 63.200 0.019 0.000 1.009 476 S HN 0.479 nan 8.310 nan 0.000 0.484 477 L N 2.413 123.626 121.223 -0.017 0.000 2.379 477 L HA 0.467 4.807 4.340 0.001 0.000 0.269 477 L C -2.300 174.501 176.870 -0.116 0.000 1.084 477 L CA -2.433 52.374 54.840 -0.054 0.000 0.802 477 L CB 0.150 42.202 42.059 -0.012 0.000 1.175 477 L HN 0.362 nan 8.230 nan 0.000 0.448 478 P HA -0.011 nan 4.420 nan 0.000 0.265 478 P C -0.466 176.563 177.300 -0.451 0.000 1.193 478 P CA -0.042 62.768 63.100 -0.484 0.000 0.765 478 P CB 0.459 31.644 31.700 -0.859 0.000 0.823 479 D N 2.337 122.563 120.400 -0.289 0.000 2.379 479 D HA -0.032 4.608 4.640 0.001 0.000 0.208 479 D C 0.250 176.687 176.300 0.228 0.000 1.065 479 D CA -0.191 53.838 54.000 0.048 0.000 0.848 479 D CB -0.547 40.297 40.800 0.073 0.000 0.949 479 D HN 0.229 nan 8.370 nan 0.000 0.509 480 F N 0.873 120.918 119.950 0.160 0.000 2.970 480 F HA -0.252 4.275 4.527 0.001 0.000 0.251 480 F C 0.636 176.531 175.800 0.159 0.000 0.993 480 F CA 0.265 58.370 58.000 0.176 0.000 0.869 480 F CB -2.154 37.004 39.000 0.264 0.000 0.762 480 F HN 0.028 nan 8.300 nan 0.000 0.817 481 K N 1.105 121.623 120.400 0.196 0.000 2.430 481 K HA 0.330 4.651 4.320 0.001 0.000 0.280 481 K C 1.307 177.980 176.600 0.122 0.000 1.063 481 K CA 1.035 57.404 56.287 0.137 0.000 1.071 481 K CB -0.097 32.448 32.500 0.074 0.000 0.899 481 K HN 0.756 nan 8.250 nan 0.000 0.473 482 G N 3.399 112.259 108.800 0.101 0.000 2.192 482 G HA2 -0.184 3.776 3.960 0.001 0.000 0.193 482 G HA3 -0.184 3.776 3.960 0.001 0.000 0.193 482 G C -0.184 174.755 174.900 0.065 0.000 0.999 482 G CA -0.425 44.718 45.100 0.071 0.000 0.659 482 G HN 0.531 nan 8.290 nan 0.000 0.503 483 L N 1.215 122.484 121.223 0.078 0.000 2.312 483 L HA 0.421 4.761 4.340 0.001 0.000 0.281 483 L C -1.446 175.406 176.870 -0.030 0.000 1.070 483 L CA -1.802 53.053 54.840 0.024 0.000 0.805 483 L CB 1.716 43.749 42.059 -0.043 0.000 1.174 483 L HN -0.126 nan 8.230 nan 0.000 0.434 484 P HA 0.022 nan 4.420 nan 0.000 0.258 484 P C -0.630 176.566 177.300 -0.173 0.000 1.559 484 P CA 0.112 63.166 63.100 -0.078 0.000 0.855 484 P CB -0.143 31.539 31.700 -0.031 0.000 1.594 485 V N -3.480 116.298 119.914 -0.228 0.000 2.769 485 V HA 0.476 4.596 4.120 0.001 0.000 0.312 485 V C 0.120 176.070 176.094 -0.240 0.000 1.058 485 V CA -1.707 60.419 62.300 -0.291 0.000 0.952 485 V CB 2.153 33.727 31.823 -0.415 0.000 1.019 485 V HN -0.165 nan 8.190 nan 0.000 0.445 486 K N 2.218 122.491 120.400 -0.211 0.000 2.383 486 K HA 0.508 4.828 4.320 0.001 0.000 0.286 486 K C 1.105 177.511 176.600 -0.323 0.000 1.051 486 K CA 0.400 56.556 56.287 -0.219 0.000 0.974 486 K CB 1.229 33.640 32.500 -0.149 0.000 0.968 486 K HN 0.989 nan 8.250 nan 0.000 0.475 487 A N 4.150 126.646 122.820 -0.540 0.000 2.014 487 A HA 0.002 4.323 4.320 0.001 0.000 0.218 487 A C 1.323 178.644 177.584 -0.440 0.000 1.163 487 A CA 1.314 52.725 52.037 -1.043 0.000 0.652 487 A CB -0.173 18.175 19.000 -1.086 0.000 0.808 487 A HN 0.749 nan 8.150 nan 0.000 0.449 488 A N 1.124 123.808 122.820 -0.226 0.000 3.117 488 A HA 0.476 4.796 4.320 0.001 0.000 0.255 488 A C 0.605 178.165 177.584 -0.040 0.000 1.583 488 A CA 0.485 52.467 52.037 -0.092 0.000 1.234 488 A CB -1.370 17.578 19.000 -0.086 0.000 1.076 488 A HN 0.553 nan 8.150 nan 0.000 0.653 489 T N -3.586 110.976 114.554 0.013 0.000 2.876 489 T HA 0.421 4.771 4.350 0.001 0.000 0.289 489 T C 0.509 175.239 174.700 0.049 0.000 1.014 489 T CA -0.790 61.321 62.100 0.020 0.000 0.986 489 T CB 1.607 70.486 68.868 0.018 0.000 1.021 489 T HN 0.245 nan 8.240 nan 0.000 0.458 490 K N 1.151 121.543 120.400 -0.014 0.000 2.360 490 K HA 0.048 4.368 4.320 0.001 0.000 0.201 490 K C 1.640 178.152 176.600 -0.146 0.000 1.046 490 K CA 0.832 57.091 56.287 -0.046 0.000 0.945 490 K CB -0.336 32.137 32.500 -0.045 0.000 0.750 490 K HN 0.637 nan 8.250 nan 0.000 0.464 491 I N -0.099 120.377 120.570 -0.156 0.000 2.252 491 I HA -0.262 3.908 4.170 0.001 0.000 0.245 491 I C 2.090 178.163 176.117 -0.073 0.000 1.102 491 I CA 1.052 62.199 61.300 -0.254 0.000 1.385 491 I CB -0.191 37.716 38.000 -0.154 0.000 1.064 491 I HN 0.063 nan 8.210 nan 0.000 0.414 492 F N 1.559 121.509 119.950 0.000 0.000 2.134 492 F HA -0.245 4.282 4.527 0.001 0.000 0.299 492 F C 2.654 178.485 175.800 0.052 0.000 1.097 492 F CA 1.713 59.802 58.000 0.149 0.000 1.264 492 F CB -0.323 38.768 39.000 0.152 0.000 1.001 492 F HN 0.021 nan 8.300 nan 0.000 0.479 493 Q N -0.190 119.682 119.800 0.120 0.000 2.061 493 Q HA -0.245 4.096 4.340 0.001 0.000 0.204 493 Q C 2.459 178.388 176.000 -0.119 0.000 0.984 493 Q CA 1.715 57.532 55.803 0.023 0.000 0.846 493 Q CB -0.529 28.225 28.738 0.026 0.000 0.902 493 Q HN 0.523 nan 8.270 nan 0.000 0.421 494 A N 0.911 123.571 122.820 -0.268 0.000 1.873 494 A HA -0.248 4.072 4.320 0.001 0.000 0.218 494 A C 2.274 179.656 177.584 -0.337 0.000 1.193 494 A CA 2.004 53.752 52.037 -0.481 0.000 0.629 494 A CB -1.049 17.402 19.000 -0.916 0.000 0.826 494 A HN 0.487 nan 8.150 nan 0.000 0.447 495 A N -0.768 121.798 122.820 -0.424 0.000 1.940 495 A HA -0.237 4.084 4.320 0.001 0.000 0.219 495 A C 2.092 179.631 177.584 -0.074 0.000 1.176 495 A CA 1.722 53.485 52.037 -0.456 0.000 0.631 495 A CB -0.618 17.648 19.000 -1.225 0.000 0.814 495 A HN 0.703 nan 8.150 nan 0.000 0.446 496 Q N -0.691 119.079 119.800 -0.051 0.000 2.291 496 Q HA 0.026 4.367 4.340 0.001 0.000 0.205 496 Q C 1.668 177.666 176.000 -0.003 0.000 0.970 496 Q CA 1.078 56.881 55.803 -0.000 0.000 0.876 496 Q CB -0.187 28.526 28.738 -0.040 0.000 0.935 496 Q HN 0.697 nan 8.270 nan 0.000 0.455 497 L N -0.649 120.580 121.223 0.010 0.000 2.513 497 L HA 0.196 4.536 4.340 0.001 0.000 0.222 497 L C 2.345 179.279 176.870 0.107 0.000 1.096 497 L CA 0.178 55.054 54.840 0.060 0.000 0.857 497 L CB -0.396 41.717 42.059 0.090 0.000 1.026 497 L HN 0.087 nan 8.230 nan 0.000 0.469 498 A N 1.097 123.986 122.820 0.114 0.000 2.001 498 A HA -0.251 4.069 4.320 0.001 0.000 0.224 498 A C 1.334 178.983 177.584 0.108 0.000 1.203 498 A CA 2.106 54.238 52.037 0.158 0.000 0.667 498 A CB -0.530 18.529 19.000 0.098 0.000 0.823 498 A HN 0.560 nan 8.150 nan 0.000 0.473 499 N N -0.551 118.190 118.700 0.069 0.000 2.598 499 N HA 0.426 5.166 4.740 0.001 0.000 0.309 499 N C -1.270 174.265 175.510 0.041 0.000 1.645 499 N CA 0.079 53.159 53.050 0.049 0.000 0.936 499 N CB 0.747 39.252 38.487 0.030 0.000 1.323 499 N HN 0.358 nan 8.380 nan 0.000 0.497 500 L N 0.904 122.166 121.223 0.066 0.000 2.410 500 L HA 0.520 4.861 4.340 0.001 0.000 0.270 500 L C -2.398 174.551 176.870 0.131 0.000 0.983 500 L CA -1.780 53.105 54.840 0.076 0.000 0.822 500 L CB 2.413 44.503 42.059 0.051 0.000 1.285 500 L HN -0.172 nan 8.230 nan 0.000 0.409 501 P HA 0.036 nan 4.420 nan 0.000 0.268 501 P C 0.439 177.829 177.300 0.150 0.000 1.205 501 P CA -0.278 62.933 63.100 0.184 0.000 0.771 501 P CB 0.499 32.323 31.700 0.208 0.000 0.858 502 F N 2.846 122.806 119.950 0.016 0.000 2.192 502 F HA -0.265 4.262 4.527 0.000 0.000 0.301 502 F C 2.070 177.837 175.800 -0.055 0.000 1.079 502 F CA 2.294 60.280 58.000 -0.023 0.000 1.303 502 F CB -0.525 38.446 39.000 -0.048 0.000 1.024 502 F HN 0.312 nan 8.300 nan 0.000 0.494 503 S N -1.478 114.140 115.700 -0.136 0.000 2.442 503 S HA -0.211 4.260 4.470 0.001 0.000 0.236 503 S C 1.832 176.224 174.600 -0.347 0.000 1.007 503 S CA 1.312 59.349 58.200 -0.272 0.000 0.965 503 S CB -0.859 62.212 63.200 -0.214 0.000 0.773 503 S HN 0.557 nan 8.310 nan 0.000 0.504 504 H N 1.520 120.507 119.070 -0.138 0.000 2.525 504 H HA 0.138 4.694 4.556 0.000 0.000 0.275 504 H C 2.182 177.422 175.328 -0.146 0.000 0.984 504 H CA 1.674 57.656 56.048 -0.110 0.000 1.264 504 H CB -0.085 29.641 29.762 -0.059 0.000 1.432 504 H HN 0.738 nan 8.280 nan 0.000 0.549 505 T N -2.415 112.070 114.554 -0.116 0.000 3.069 505 T HA 0.090 4.440 4.350 0.001 0.000 0.252 505 T C 1.863 176.384 174.700 -0.297 0.000 1.053 505 T CA 0.253 62.265 62.100 -0.147 0.000 0.964 505 T CB 0.029 68.848 68.868 -0.082 0.000 1.005 505 T HN 0.020 nan 8.240 nan 0.000 0.532 506 S N 2.429 117.822 115.700 -0.512 0.000 2.374 506 S HA -0.149 4.321 4.470 0.001 0.000 0.227 506 S C 2.323 176.807 174.600 -0.193 0.000 1.037 506 S CA 1.472 59.334 58.200 -0.563 0.000 1.024 506 S CB -0.927 61.958 63.200 -0.526 0.000 0.861 506 S HN 0.717 nan 8.310 nan 0.000 0.456 507 V N 0.871 120.710 119.914 -0.126 0.000 2.568 507 V HA -0.090 4.030 4.120 0.001 0.000 0.253 507 V C 2.246 178.309 176.094 -0.053 0.000 1.072 507 V CA 1.519 63.782 62.300 -0.063 0.000 1.084 507 V CB -1.500 30.295 31.823 -0.047 0.000 0.676 507 V HN 0.432 nan 8.190 nan 0.000 0.469 508 A N 0.537 123.320 122.820 -0.062 0.000 2.070 508 A HA 0.017 4.337 4.320 0.001 0.000 0.220 508 A C 2.119 179.681 177.584 -0.036 0.000 1.159 508 A CA 1.806 53.821 52.037 -0.037 0.000 0.656 508 A CB -0.753 18.229 19.000 -0.030 0.000 0.800 508 A HN 0.625 nan 8.150 nan 0.000 0.453 509 I N -0.680 119.863 120.570 -0.044 0.000 2.567 509 I HA -0.185 3.985 4.170 0.001 0.000 0.257 509 I C 1.240 177.317 176.117 -0.066 0.000 1.184 509 I CA 0.996 62.276 61.300 -0.033 0.000 1.451 509 I CB -0.075 37.932 38.000 0.011 0.000 1.089 509 I HN 0.269 nan 8.210 nan 0.000 0.441 510 L N 0.134 121.316 121.223 -0.068 0.000 2.769 510 L HA 0.357 4.697 4.340 0.001 0.000 0.240 510 L C 1.111 177.940 176.870 -0.069 0.000 1.163 510 L CA -0.557 54.223 54.840 -0.100 0.000 0.962 510 L CB -0.152 41.848 42.059 -0.098 0.000 1.258 510 L HN 0.050 nan 8.230 nan 0.000 0.513 511 A N -0.151 122.646 122.820 -0.038 0.000 2.366 511 A HA 0.155 4.475 4.320 0.001 0.000 0.250 511 A C 0.155 177.738 177.584 -0.003 0.000 1.099 511 A CA -0.238 51.790 52.037 -0.014 0.000 0.794 511 A CB 0.244 19.243 19.000 -0.002 0.000 1.056 511 A HN 0.150 nan 8.150 nan 0.000 0.499 512 D N -0.388 120.016 120.400 0.006 0.000 2.393 512 D HA 0.387 5.027 4.640 0.001 0.000 0.246 512 D C -0.168 176.154 176.300 0.038 0.000 1.275 512 D CA 0.773 54.786 54.000 0.022 0.000 0.979 512 D CB 0.415 41.215 40.800 0.001 0.000 1.101 512 D HN 0.424 nan 8.370 nan 0.000 0.505 513 T N 0.303 114.882 114.554 0.042 0.000 2.848 513 T HA 0.332 4.682 4.350 0.001 0.000 0.285 513 T C -0.050 174.553 174.700 -0.161 0.000 0.995 513 T CA -0.620 61.497 62.100 0.028 0.000 0.970 513 T CB 1.369 70.350 68.868 0.188 0.000 0.976 513 T HN 0.098 nan 8.240 nan 0.000 0.441 514 S N 2.759 118.367 115.700 -0.154 0.000 2.603 514 S HA 0.385 4.855 4.470 0.001 0.000 0.268 514 S C 0.258 174.624 174.600 -0.390 0.000 1.317 514 S CA -0.701 57.356 58.200 -0.239 0.000 1.012 514 S CB 0.514 63.641 63.200 -0.122 0.000 0.926 514 S HN 0.721 nan 8.310 nan 0.000 0.539 515 M N 2.066 121.422 119.600 -0.406 0.000 2.235 515 M HA 0.504 4.985 4.480 0.001 0.000 0.351 515 M C -0.012 176.272 176.300 -0.026 0.000 1.178 515 M CA 0.077 55.186 55.300 -0.318 0.000 1.143 515 M CB 0.273 32.749 32.600 -0.207 0.000 1.530 515 M HN 0.698 nan 8.290 nan 0.000 0.461 516 G N 5.769 114.654 108.800 0.141 0.000 2.739 516 G HA2 0.623 4.583 3.960 0.001 0.000 0.292 516 G HA3 0.623 4.583 3.960 0.001 0.000 0.292 516 G C -1.824 173.159 174.900 0.140 0.000 1.444 516 G CA -0.665 44.504 45.100 0.115 0.000 1.144 516 G HN 0.758 nan 8.290 nan 0.000 0.550 517 L N 1.003 122.282 121.223 0.093 0.000 2.309 517 L HA 0.754 5.095 4.340 0.001 0.000 0.261 517 L C -0.040 176.860 176.870 0.051 0.000 1.021 517 L CA -1.173 53.710 54.840 0.072 0.000 0.823 517 L CB 2.848 44.947 42.059 0.066 0.000 1.366 517 L HN 0.376 nan 8.230 nan 0.000 0.423 518 R N 1.225 121.751 120.500 0.043 0.000 2.515 518 R HA 0.379 4.720 4.340 0.001 0.000 0.291 518 R C -1.396 174.941 176.300 0.061 0.000 1.046 518 R CA -0.809 55.317 56.100 0.043 0.000 0.914 518 R CB 2.013 32.342 30.300 0.048 0.000 1.191 518 R HN 0.567 nan 8.270 nan 0.000 0.435 519 N N 2.651 121.390 118.700 0.066 0.000 2.473 519 N HA 0.295 5.035 4.740 0.001 0.000 0.291 519 N C -0.672 175.011 175.510 0.290 0.000 1.083 519 N CA -0.381 52.754 53.050 0.140 0.000 0.951 519 N CB 1.797 40.350 38.487 0.110 0.000 1.164 519 N HN 0.451 nan 8.380 nan 0.000 0.480 520 Q N -0.099 119.895 119.800 0.324 0.000 2.484 520 Q HA 0.541 4.882 4.340 0.001 0.000 0.285 520 Q C -0.763 175.283 176.000 0.077 0.000 1.097 520 Q CA -1.035 54.953 55.803 0.308 0.000 0.802 520 Q CB 2.123 30.938 28.738 0.128 0.000 1.444 520 Q HN 0.201 nan 8.270 nan 0.000 0.429 521 V N 1.845 121.599 119.914 -0.266 0.000 2.649 521 V HA -0.013 4.107 4.120 0.001 0.000 0.292 521 V C 0.492 176.461 176.094 -0.208 0.000 1.055 521 V CA 0.273 62.294 62.300 -0.464 0.000 1.023 521 V CB 0.918 32.368 31.823 -0.622 0.000 0.992 521 V HN 0.842 nan 8.190 nan 0.000 0.480 522 Q N 0.991 120.681 119.800 -0.183 0.000 2.450 522 Q HA -0.256 4.085 4.340 0.001 0.000 0.255 522 Q C 0.318 176.255 176.000 -0.105 0.000 1.003 522 Q CA 1.374 57.092 55.803 -0.141 0.000 1.097 522 Q CB -0.652 28.006 28.738 -0.132 0.000 1.544 522 Q HN 0.739 nan 8.270 nan 0.000 0.531 523 R N -0.070 120.384 120.500 -0.076 0.000 2.781 523 R HA 0.472 4.812 4.340 0.001 0.000 0.269 523 R C -0.947 175.358 176.300 0.008 0.000 1.025 523 R CA -0.912 55.168 56.100 -0.033 0.000 0.914 523 R CB 1.337 31.633 30.300 -0.007 0.000 1.236 523 R HN 0.191 nan 8.270 nan 0.000 0.465 524 R N 1.132 121.665 120.500 0.054 0.000 2.560 524 R HA 0.452 4.792 4.340 0.001 0.000 0.270 524 R C -2.465 173.910 176.300 0.125 0.000 1.074 524 R CA -1.649 54.544 56.100 0.154 0.000 1.140 524 R CB 0.379 30.803 30.300 0.207 0.000 1.073 524 R HN 0.240 nan 8.270 nan 0.000 0.527 525 P HA 0.060 nan 4.420 nan 0.000 0.272 525 P C -1.159 176.162 177.300 0.034 0.000 1.223 525 P CA -0.251 62.903 63.100 0.090 0.000 0.784 525 P CB 0.616 32.367 31.700 0.085 0.000 0.923 526 R N 0.093 120.603 120.500 0.016 0.000 2.686 526 R HA 0.723 5.064 4.340 0.001 0.000 0.286 526 R C -0.636 175.640 176.300 -0.041 0.000 0.969 526 R CA -0.728 55.357 56.100 -0.025 0.000 0.898 526 R CB 1.149 31.451 30.300 0.003 0.000 1.183 526 R HN 0.400 nan 8.270 nan 0.000 0.456 527 S N 2.280 117.900 115.700 -0.133 0.000 2.617 527 S HA 0.569 5.039 4.470 0.001 0.000 0.269 527 S C -0.033 174.580 174.600 0.022 0.000 1.292 527 S CA -0.677 57.458 58.200 -0.109 0.000 1.010 527 S CB 0.866 63.799 63.200 -0.446 0.000 0.944 527 S HN 0.521 nan 8.310 nan 0.000 0.536 528 I N 0.324 120.983 120.570 0.149 0.000 2.828 528 I HA 0.479 4.650 4.170 0.001 0.000 0.302 528 I C -0.918 175.364 176.117 0.275 0.000 1.101 528 I CA -1.146 60.254 61.300 0.167 0.000 1.031 528 I CB 2.246 40.316 38.000 0.116 0.000 1.231 528 I HN 0.770 nan 8.210 nan 0.000 0.427 529 M N 7.168 126.877 119.600 0.180 0.000 2.044 529 M HA 0.389 4.869 4.480 0.001 0.000 0.333 529 M C -2.434 173.920 176.300 0.090 0.000 1.004 529 M CA -1.462 53.944 55.300 0.178 0.000 0.954 529 M CB 1.618 34.228 32.600 0.017 0.000 1.468 529 M HN 0.170 nan 8.290 nan 0.000 0.414 530 P HA 0.233 nan 4.420 nan 0.000 0.256 530 P C -0.716 176.608 177.300 0.041 0.000 1.689 530 P CA -0.091 63.039 63.100 0.049 0.000 1.124 530 P CB -0.150 31.570 31.700 0.033 0.000 1.766 531 L N 2.510 123.754 121.223 0.034 0.000 2.467 531 L HA 0.132 4.472 4.340 0.001 0.000 0.270 531 L C 1.262 178.135 176.870 0.005 0.000 1.205 531 L CA -0.294 54.566 54.840 0.033 0.000 0.828 531 L CB 0.026 42.096 42.059 0.020 0.000 1.101 531 L HN 0.316 nan 8.230 nan 0.000 0.479 532 N N 0.370 119.070 118.700 -0.001 0.000 2.434 532 N HA 0.190 4.931 4.740 0.001 0.000 0.266 532 N C 0.644 176.114 175.510 -0.067 0.000 1.223 532 N CA -0.871 52.170 53.050 -0.015 0.000 0.972 532 N CB 0.703 39.191 38.487 0.001 0.000 1.207 532 N HN 0.263 nan 8.380 nan 0.000 0.525 533 V N 0.191 120.078 119.914 -0.046 0.000 2.278 533 V HA -0.180 3.940 4.120 0.001 0.000 0.251 533 V C -0.881 175.124 176.094 -0.148 0.000 1.062 533 V CA 2.048 64.300 62.300 -0.079 0.000 1.038 533 V CB -1.594 30.271 31.823 0.070 0.000 0.646 533 V HN 0.712 nan 8.190 nan 0.000 0.447 534 P HA -0.172 nan 4.420 nan 0.000 0.215 534 P C 1.796 179.069 177.300 -0.046 0.000 1.153 534 P CA 1.433 64.531 63.100 -0.004 0.000 0.853 534 P CB -0.089 31.611 31.700 0.001 0.000 0.788 535 Q N -0.867 118.893 119.800 -0.067 0.000 2.124 535 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 535 Q C 2.267 178.196 176.000 -0.118 0.000 0.977 535 Q CA 1.017 56.787 55.803 -0.055 0.000 0.850 535 Q CB -0.456 28.278 28.738 -0.007 0.000 0.901 535 Q HN 0.352 nan 8.270 nan 0.000 0.429 536 Q N 0.530 120.163 119.800 -0.278 0.000 2.123 536 Q HA -0.168 4.173 4.340 0.001 0.000 0.199 536 Q C 1.954 177.641 176.000 -0.522 0.000 0.966 536 Q CA 1.147 56.677 55.803 -0.454 0.000 0.845 536 Q CB -0.104 28.149 28.738 -0.809 0.000 0.907 536 Q HN 0.482 nan 8.270 nan 0.000 0.439 537 Q N 0.312 119.791 119.800 -0.535 0.000 2.020 537 Q HA -0.118 4.222 4.340 0.001 0.000 0.202 537 Q C 2.013 178.023 176.000 0.018 0.000 0.982 537 Q CA 1.413 57.126 55.803 -0.150 0.000 0.838 537 Q CB -0.018 28.741 28.738 0.036 0.000 0.899 537 Q HN 0.151 nan 8.270 nan 0.000 0.423 538 V N 0.661 120.592 119.914 0.028 0.000 2.867 538 V HA -0.166 3.954 4.120 0.001 0.000 0.260 538 V C 1.817 177.976 176.094 0.109 0.000 1.099 538 V CA 1.776 64.126 62.300 0.083 0.000 1.122 538 V CB -0.124 31.760 31.823 0.103 0.000 0.708 538 V HN 0.359 nan 8.190 nan 0.000 0.490 539 S N -0.598 115.157 115.700 0.092 0.000 2.562 539 S HA 0.121 4.592 4.470 0.001 0.000 0.221 539 S C 2.053 176.806 174.600 0.254 0.000 0.975 539 S CA 0.643 58.949 58.200 0.178 0.000 0.918 539 S CB 0.031 63.313 63.200 0.137 0.000 0.772 539 S HN 0.696 nan 8.310 nan 0.000 0.531 540 A N 3.068 126.030 122.820 0.236 0.000 1.849 540 A HA -0.098 4.223 4.320 0.001 0.000 0.217 540 A C -0.123 177.657 177.584 0.327 0.000 1.202 540 A CA 1.681 53.892 52.037 0.289 0.000 0.629 540 A CB -1.984 17.213 19.000 0.328 0.000 0.834 540 A HN 0.353 nan 8.150 nan 0.000 0.447 541 P HA -0.221 nan 4.420 nan 0.000 0.216 541 P C 1.407 178.915 177.300 0.347 0.000 1.154 541 P CA 1.829 65.073 63.100 0.240 0.000 0.865 541 P CB -0.264 31.534 31.700 0.163 0.000 0.789 542 H N -1.276 117.968 119.070 0.290 0.000 2.293 542 H HA -0.097 4.460 4.556 0.001 0.000 0.300 542 H C 1.623 177.192 175.328 0.400 0.000 1.082 542 H CA 1.765 58.032 56.048 0.365 0.000 1.308 542 H CB -0.099 29.896 29.762 0.388 0.000 1.375 542 H HN -0.004 nan 8.280 nan 0.000 0.495 543 T N 1.157 115.969 114.554 0.430 0.000 2.684 543 T HA -0.158 4.193 4.350 0.001 0.000 0.267 543 T C 2.186 177.067 174.700 0.302 0.000 1.036 543 T CA 1.398 63.676 62.100 0.296 0.000 1.148 543 T CB -0.290 68.712 68.868 0.224 0.000 0.863 543 T HN 0.233 nan 8.240 nan 0.000 0.436 544 L N 0.630 122.038 121.223 0.308 0.000 2.056 544 L HA -0.092 4.248 4.340 0.001 0.000 0.207 544 L C 2.933 179.980 176.870 0.295 0.000 1.078 544 L CA 1.172 56.188 54.840 0.293 0.000 0.749 544 L CB -1.021 41.211 42.059 0.289 0.000 0.901 544 L HN 0.267 nan 8.230 nan 0.000 0.433 545 T N -0.194 114.553 114.554 0.321 0.000 2.867 545 T HA -0.120 4.230 4.350 0.001 0.000 0.268 545 T C 1.977 176.795 174.700 0.197 0.000 1.057 545 T CA 1.192 63.467 62.100 0.291 0.000 1.136 545 T CB -0.145 68.970 68.868 0.411 0.000 0.874 545 T HN 0.436 nan 8.240 nan 0.000 0.466 546 A N 1.848 124.840 122.820 0.287 0.000 1.897 546 A HA -0.100 4.220 4.320 0.001 0.000 0.215 546 A C 2.113 179.775 177.584 0.130 0.000 1.181 546 A CA 1.386 53.501 52.037 0.131 0.000 0.620 546 A CB -0.473 18.739 19.000 0.354 0.000 0.821 546 A HN 0.312 nan 8.150 nan 0.000 0.443 547 D N -1.472 119.047 120.400 0.198 0.000 2.117 547 D HA -0.162 4.478 4.640 0.001 0.000 0.197 547 D C 1.666 178.086 176.300 0.199 0.000 0.987 547 D CA 1.472 55.581 54.000 0.183 0.000 0.829 547 D CB -0.467 40.445 40.800 0.186 0.000 0.961 547 D HN 0.596 nan 8.370 nan 0.000 0.460 548 Y N 1.369 121.768 120.300 0.165 0.000 2.165 548 Y HA -0.181 4.369 4.550 0.001 0.000 0.286 548 Y C 2.246 178.297 175.900 0.251 0.000 1.155 548 Y CA 1.266 59.518 58.100 0.254 0.000 1.164 548 Y CB -0.221 38.317 38.460 0.131 0.000 0.978 548 Y HN -0.088 nan 8.280 nan 0.000 0.513 549 I N 0.085 120.765 120.570 0.184 0.000 2.202 549 I HA -0.340 3.830 4.170 0.001 0.000 0.242 549 I C 1.871 178.012 176.117 0.040 0.000 1.091 549 I CA 1.392 62.728 61.300 0.061 0.000 1.368 549 I CB -0.498 37.416 38.000 -0.144 0.000 1.058 549 I HN 0.268 nan 8.210 nan 0.000 0.410 550 N N 0.060 118.796 118.700 0.059 0.000 2.309 550 N HA -0.222 4.519 4.740 0.001 0.000 0.182 550 N C 1.742 177.273 175.510 0.036 0.000 1.018 550 N CA 1.315 54.407 53.050 0.070 0.000 0.876 550 N CB -0.292 38.258 38.487 0.105 0.000 0.972 550 N HN 0.415 nan 8.380 nan 0.000 0.434 551 Y N 0.511 120.721 120.300 -0.150 0.000 2.365 551 Y HA 0.006 4.556 4.550 0.001 0.000 0.293 551 Y C 1.909 177.489 175.900 -0.532 0.000 1.119 551 Y CA 1.339 59.232 58.100 -0.346 0.000 1.203 551 Y CB 0.165 38.336 38.460 -0.481 0.000 1.026 551 Y HN 0.179 nan 8.280 nan 0.000 0.549 552 H N -2.328 116.615 119.070 -0.212 0.000 2.927 552 H HA 0.235 4.791 4.556 0.001 0.000 0.255 552 H C 1.405 176.654 175.328 -0.132 0.000 0.974 552 H CA 0.765 56.663 56.048 -0.248 0.000 1.199 552 H CB 0.366 29.894 29.762 -0.391 0.000 1.447 552 H HN 0.369 nan 8.280 nan 0.000 0.467 553 M N 1.096 120.720 119.600 0.040 0.000 2.337 553 M HA 0.097 4.577 4.480 0.001 0.000 0.256 553 M C -0.083 176.241 176.300 0.040 0.000 1.075 553 M CA 0.053 55.384 55.300 0.052 0.000 1.024 553 M CB 0.316 32.963 32.600 0.079 0.000 1.429 553 M HN 0.140 nan 8.290 nan 0.000 0.497 554 N N 0.085 118.802 118.700 0.028 0.000 2.902 554 N HA 0.480 5.221 4.740 0.001 0.000 0.268 554 N C -1.523 174.008 175.510 0.035 0.000 1.450 554 N CA -0.912 52.174 53.050 0.061 0.000 0.819 554 N CB 1.167 39.726 38.487 0.120 0.000 1.540 554 N HN -0.060 nan 8.380 nan 0.000 0.545 555 L N 1.178 122.446 121.223 0.076 0.000 2.287 555 L HA 0.648 4.988 4.340 0.001 0.000 0.280 555 L C -0.794 176.186 176.870 0.183 0.000 1.055 555 L CA 0.106 54.999 54.840 0.087 0.000 0.863 555 L CB -0.527 41.574 42.059 0.070 0.000 1.245 555 L HN 0.863 nan 8.230 nan 0.000 0.432 556 S N 4.264 120.096 115.700 0.221 0.000 2.595 556 S HA 0.954 5.425 4.470 0.001 0.000 0.281 556 S C -3.090 171.655 174.600 0.243 0.000 1.117 556 S CA -1.229 57.104 58.200 0.221 0.000 0.873 556 S CB 2.144 65.437 63.200 0.155 0.000 1.108 556 S HN 0.318 nan 8.310 nan 0.000 0.477 557 P HA 0.596 nan 4.420 nan 0.000 0.301 557 P C -1.291 176.048 177.300 0.065 0.000 1.361 557 P CA -0.592 62.541 63.100 0.055 0.000 0.994 557 P CB 1.793 33.461 31.700 -0.053 0.000 1.234 558 T N 0.197 114.784 114.554 0.055 0.000 3.253 558 T HA 0.387 4.737 4.350 0.001 0.000 0.391 558 T C 0.025 174.738 174.700 0.022 0.000 1.527 558 T CA -0.191 61.939 62.100 0.050 0.000 1.268 558 T CB -0.161 68.752 68.868 0.076 0.000 1.126 558 T HN 0.336 nan 8.240 nan 0.000 0.620 559 S N 1.718 117.411 115.700 -0.012 0.000 2.713 559 S HA 0.831 5.302 4.470 0.001 0.000 0.283 559 S C 1.055 175.636 174.600 -0.032 0.000 1.161 559 S CA -0.265 57.916 58.200 -0.032 0.000 0.999 559 S CB 1.222 64.378 63.200 -0.075 0.000 1.039 559 S HN 0.600 nan 8.310 nan 0.000 0.548 560 G N 0.460 109.238 108.800 -0.036 0.000 3.434 560 G HA2 0.337 4.298 3.960 0.001 0.000 0.192 560 G HA3 0.337 4.298 3.960 0.001 0.000 0.192 560 G C 0.626 175.498 174.900 -0.046 0.000 1.704 560 G CA 0.455 45.534 45.100 -0.035 0.000 0.936 560 G HN 0.785 nan 8.290 nan 0.000 0.623 561 S N -1.429 114.243 115.700 -0.046 0.000 2.651 561 S HA 0.511 4.981 4.470 0.001 0.000 0.259 561 S C 0.809 175.375 174.600 -0.057 0.000 1.073 561 S CA 0.708 58.881 58.200 -0.044 0.000 1.090 561 S CB -0.126 63.057 63.200 -0.028 0.000 1.042 561 S HN 0.852 nan 8.310 nan 0.000 0.581 562 A N 1.231 124.008 122.820 -0.073 0.000 2.363 562 A HA 0.541 4.861 4.320 0.001 0.000 0.270 562 A C 1.347 178.864 177.584 -0.112 0.000 1.121 562 A CA -0.258 51.715 52.037 -0.106 0.000 0.800 562 A CB 0.483 19.411 19.000 -0.120 0.000 1.052 562 A HN 0.263 nan 8.150 nan 0.000 0.493 563 V N 3.283 123.107 119.914 -0.149 0.000 2.469 563 V HA -0.278 3.843 4.120 0.001 0.000 0.251 563 V C 2.217 178.238 176.094 -0.122 0.000 1.064 563 V CA 2.414 64.638 62.300 -0.127 0.000 1.066 563 V CB -1.213 30.522 31.823 -0.147 0.000 0.667 563 V HN 0.911 nan 8.190 nan 0.000 0.461 564 I N -0.575 119.887 120.570 -0.181 0.000 2.756 564 I HA -0.131 4.039 4.170 0.001 0.000 0.262 564 I C 1.516 177.629 176.117 -0.007 0.000 1.225 564 I CA 1.623 62.867 61.300 -0.094 0.000 1.472 564 I CB -0.454 37.477 38.000 -0.115 0.000 1.094 564 I HN 0.411 nan 8.210 nan 0.000 0.454 565 E N 1.218 121.402 120.200 -0.026 0.000 2.624 565 E HA 0.179 4.529 4.350 0.001 0.000 0.210 565 E C 0.395 176.988 176.600 -0.013 0.000 0.997 565 E CA -0.135 56.266 56.400 0.003 0.000 0.999 565 E CB 0.380 30.073 29.700 -0.011 0.000 1.040 565 E HN 0.473 nan 8.360 nan 0.000 0.469 566 K N 1.204 121.594 120.400 -0.016 0.000 2.493 566 K HA 0.146 4.467 4.320 0.001 0.000 0.207 566 K C -0.320 176.293 176.600 0.022 0.000 1.033 566 K CA -0.141 56.131 56.287 -0.024 0.000 1.161 566 K CB 0.926 33.403 32.500 -0.038 0.000 0.873 566 K HN -0.101 nan 8.250 nan 0.000 0.491 567 V N 1.883 121.804 119.914 0.011 0.000 5.953 567 V HA -0.279 3.842 4.120 0.001 0.000 0.213 567 V C 1.202 177.301 176.094 0.009 0.000 0.673 567 V CA 0.508 62.807 62.300 -0.002 0.000 0.618 567 V CB -2.042 29.718 31.823 -0.105 0.000 0.533 567 V HN 0.486 nan 8.190 nan 0.000 0.447 568 I N 1.959 122.558 120.570 0.050 0.000 2.226 568 I HA -0.137 4.033 4.170 0.001 0.000 0.245 568 I C 0.265 176.275 176.117 -0.179 0.000 1.100 568 I CA 1.932 63.296 61.300 0.106 0.000 1.374 568 I CB -1.014 37.085 38.000 0.165 0.000 1.057 568 I HN 0.489 nan 8.210 nan 0.000 0.413 569 P HA -0.222 nan 4.420 nan 0.000 0.217 569 P C 1.843 178.467 177.300 -1.127 0.000 1.151 569 P CA 1.287 64.018 63.100 -0.616 0.000 0.849 569 P CB 0.003 31.431 31.700 -0.455 0.000 0.787 570 L N -0.626 120.113 121.223 -0.807 0.000 2.131 570 L HA -0.016 4.324 4.340 0.001 0.000 0.210 570 L C 2.191 178.673 176.870 -0.647 0.000 1.092 570 L CA 2.200 56.638 54.840 -0.671 0.000 0.759 570 L CB -1.470 40.427 42.059 -0.271 0.000 0.903 570 L HN -0.054 nan 8.230 nan 0.000 0.435 571 G N -1.518 106.712 108.800 -0.950 0.000 2.403 571 G HA2 -0.121 3.840 3.960 0.001 0.000 0.216 571 G HA3 -0.121 3.840 3.960 0.001 0.000 0.216 571 G C 1.456 175.651 174.900 -1.175 0.000 1.154 571 G CA 0.847 44.974 45.100 -1.622 0.000 0.784 571 G HN 0.316 nan 8.290 nan 0.000 0.538 572 V N 0.032 119.432 119.914 -0.855 0.000 2.295 572 V HA -0.214 3.906 4.120 0.001 0.000 0.246 572 V C 2.279 178.210 176.094 -0.272 0.000 1.049 572 V CA 1.768 63.857 62.300 -0.351 0.000 1.024 572 V CB -0.849 30.837 31.823 -0.228 0.000 0.648 572 V HN 0.440 nan 8.190 nan 0.000 0.447 573 Y N 1.656 121.659 120.300 -0.496 0.000 2.089 573 Y HA -0.196 4.355 4.550 0.001 0.000 0.282 573 Y C 2.490 178.273 175.900 -0.195 0.000 1.139 573 Y CA 1.681 59.590 58.100 -0.319 0.000 1.123 573 Y CB -0.756 37.486 38.460 -0.362 0.000 0.980 573 Y HN 0.122 nan 8.280 nan 0.000 0.493 574 A N -0.392 122.299 122.820 -0.215 0.000 1.940 574 A HA -0.210 4.110 4.320 0.001 0.000 0.219 574 A C 2.300 179.779 177.584 -0.175 0.000 1.176 574 A CA 2.323 54.246 52.037 -0.190 0.000 0.631 574 A CB -1.277 17.669 19.000 -0.090 0.000 0.814 574 A HN 0.598 nan 8.150 nan 0.000 0.446 575 S N -1.306 114.310 115.700 -0.141 0.000 2.593 575 S HA 0.217 4.688 4.470 0.001 0.000 0.217 575 S C 0.589 175.134 174.600 -0.092 0.000 0.966 575 S CA 0.238 58.426 58.200 -0.020 0.000 0.914 575 S CB -0.163 63.117 63.200 0.134 0.000 0.776 575 S HN 0.201 nan 8.310 nan 0.000 0.523 576 S N 4.226 119.793 115.700 -0.223 0.000 2.465 576 S HA 0.435 4.906 4.470 0.001 0.000 0.279 576 S C -2.524 171.817 174.600 -0.431 0.000 1.201 576 S CA -1.072 56.939 58.200 -0.315 0.000 1.053 576 S CB 0.860 63.907 63.200 -0.255 0.000 0.953 576 S HN 0.253 nan 8.310 nan 0.000 0.488 577 P HA 0.119 nan 4.420 nan 0.000 0.267 577 P C -2.098 174.835 177.300 -0.612 0.000 1.200 577 P CA -1.007 61.639 63.100 -0.757 0.000 0.772 577 P CB 0.116 31.005 31.700 -1.352 0.000 0.855 578 P HA 0.039 nan 4.420 nan 0.000 0.253 578 P C -0.270 176.943 177.300 -0.145 0.000 1.260 578 P CA 0.576 63.552 63.100 -0.207 0.000 0.800 578 P CB 0.015 31.716 31.700 0.003 0.000 1.162 579 N N 0.904 119.465 118.700 -0.232 0.000 2.467 579 N HA 0.203 4.944 4.740 0.001 0.000 0.262 579 N C 0.198 175.639 175.510 -0.115 0.000 1.234 579 N CA 0.180 53.109 53.050 -0.202 0.000 0.952 579 N CB 0.682 38.924 38.487 -0.408 0.000 1.158 579 N HN 0.157 nan 8.380 nan 0.000 0.463 580 Q N -0.371 119.409 119.800 -0.032 0.000 2.456 580 Q HA 0.583 4.923 4.340 0.001 0.000 0.284 580 Q C -1.166 174.878 176.000 0.075 0.000 1.061 580 Q CA -0.896 54.945 55.803 0.064 0.000 0.799 580 Q CB 2.214 31.038 28.738 0.143 0.000 1.445 580 Q HN 0.740 nan 8.270 nan 0.000 0.411 581 S N 0.224 116.003 115.700 0.133 0.000 2.541 581 S HA 0.670 5.140 4.470 0.001 0.000 0.271 581 S C -0.993 173.706 174.600 0.165 0.000 1.133 581 S CA -0.802 57.470 58.200 0.120 0.000 0.876 581 S CB 1.151 64.406 63.200 0.092 0.000 1.105 581 S HN 0.441 nan 8.310 nan 0.000 0.470 582 I N 2.798 123.440 120.570 0.119 0.000 2.339 582 I HA 0.357 4.528 4.170 0.001 0.000 0.290 582 I C -0.647 175.551 176.117 0.135 0.000 0.994 582 I CA -0.867 60.505 61.300 0.120 0.000 1.191 582 I CB 0.998 39.015 38.000 0.029 0.000 1.343 582 I HN 0.664 nan 8.210 nan 0.000 0.458 583 N N 7.691 126.477 118.700 0.143 0.000 2.439 583 N HA 0.379 5.120 4.740 0.001 0.000 0.243 583 N C -0.167 175.427 175.510 0.140 0.000 1.088 583 N CA -0.111 53.025 53.050 0.142 0.000 0.940 583 N CB 1.432 40.000 38.487 0.135 0.000 1.180 583 N HN 0.500 nan 8.380 nan 0.000 0.505 584 I N 0.825 121.502 120.570 0.178 0.000 2.428 584 I HA 0.257 4.428 4.170 0.001 0.000 0.296 584 I C 0.065 176.301 176.117 0.198 0.000 0.985 584 I CA -0.458 60.965 61.300 0.205 0.000 1.260 584 I CB 1.322 39.492 38.000 0.282 0.000 1.389 584 I HN 0.352 nan 8.210 nan 0.000 0.484 585 D N 4.994 125.497 120.400 0.172 0.000 2.837 585 D HA 0.477 5.117 4.640 0.001 0.000 0.220 585 D C -1.332 174.972 176.300 0.008 0.000 1.236 585 D CA -0.425 53.620 54.000 0.076 0.000 0.838 585 D CB 1.779 42.601 40.800 0.037 0.000 1.647 585 D HN 0.277 nan 8.370 nan 0.000 0.486 586 I N 2.643 123.116 120.570 -0.161 0.000 2.321 586 I HA 0.292 4.462 4.170 0.001 0.000 0.291 586 I C 0.150 176.090 176.117 -0.295 0.000 0.998 586 I CA -0.544 60.535 61.300 -0.368 0.000 1.227 586 I CB 1.634 39.151 38.000 -0.805 0.000 1.368 586 I HN 0.362 nan 8.210 nan 0.000 0.466 587 S N 5.037 120.610 115.700 -0.211 0.000 2.545 587 S HA 0.643 5.113 4.470 0.001 0.000 0.275 587 S C 0.790 175.294 174.600 -0.160 0.000 1.299 587 S CA -0.134 57.979 58.200 -0.145 0.000 1.048 587 S CB 1.508 64.662 63.200 -0.076 0.000 0.938 587 S HN 1.283 nan 8.310 nan 0.000 0.496 588 A N 0.954 123.701 122.820 -0.122 0.000 2.914 588 A HA -0.193 4.128 4.320 0.001 0.000 0.280 588 A C 1.505 178.997 177.584 -0.155 0.000 1.447 588 A CA 0.348 52.332 52.037 -0.089 0.000 0.759 588 A CB -2.669 16.306 19.000 -0.042 0.000 1.034 588 A HN 1.418 nan 8.150 nan 0.000 0.529 589 C N -0.368 118.781 119.300 -0.252 0.000 2.359 589 C HA -0.212 4.248 4.460 0.001 0.000 0.277 589 C C 2.291 177.086 174.990 -0.326 0.000 1.192 589 C CA 2.048 60.812 59.018 -0.425 0.000 1.759 589 C CB -1.057 26.389 27.740 -0.490 0.000 2.038 589 C HN 0.763 nan 8.230 nan 0.000 0.448 590 D N 0.029 120.342 120.400 -0.145 0.000 2.158 590 D HA -0.124 4.517 4.640 0.001 0.000 0.197 590 D C 2.220 178.591 176.300 0.118 0.000 0.995 590 D CA 1.739 55.775 54.000 0.059 0.000 0.846 590 D CB -0.412 40.495 40.800 0.178 0.000 0.941 590 D HN 0.670 nan 8.370 nan 0.000 0.456 591 A N 0.260 123.127 122.820 0.078 0.000 2.067 591 A HA -0.017 4.303 4.320 0.001 0.000 0.217 591 A C 2.368 180.031 177.584 0.132 0.000 1.156 591 A CA 0.788 52.899 52.037 0.123 0.000 0.683 591 A CB -0.005 19.059 19.000 0.107 0.000 0.808 591 A HN 0.057 nan 8.150 nan 0.000 0.455 592 S N -0.277 115.465 115.700 0.071 0.000 2.470 592 S HA 0.155 4.626 4.470 0.001 0.000 0.225 592 S C 0.565 175.346 174.600 0.301 0.000 1.006 592 S CA 0.205 58.508 58.200 0.171 0.000 0.934 592 S CB -0.054 63.158 63.200 0.021 0.000 0.778 592 S HN 0.394 nan 8.310 nan 0.000 0.517 593 I N 3.929 124.599 120.570 0.167 0.000 2.269 593 I HA 0.247 4.417 4.170 0.001 0.000 0.293 593 I C 0.665 176.996 176.117 0.357 0.000 1.106 593 I CA 0.188 61.610 61.300 0.204 0.000 1.248 593 I CB -0.583 37.389 38.000 -0.047 0.000 1.444 593 I HN 0.153 nan 8.210 nan 0.000 0.497 594 T N 1.928 116.728 114.554 0.410 0.000 2.864 594 T HA 0.283 4.634 4.350 0.001 0.000 0.289 594 T C 0.954 175.889 174.700 0.392 0.000 1.082 594 T CA -0.642 61.691 62.100 0.389 0.000 1.009 594 T CB 2.036 71.110 68.868 0.343 0.000 1.234 594 T HN 0.552 nan 8.240 nan 0.000 0.526 595 W N 1.106 122.516 121.300 0.183 0.000 2.333 595 W HA -0.158 4.503 4.660 0.001 0.000 0.316 595 W C 1.265 177.851 176.519 0.112 0.000 1.215 595 W CA 2.092 59.510 57.345 0.122 0.000 1.278 595 W CB -0.514 28.994 29.460 0.081 0.000 1.154 595 W HN 0.791 nan 8.180 nan 0.000 0.486 596 D N -0.615 119.930 120.400 0.241 0.000 2.244 596 D HA -0.247 4.393 4.640 0.001 0.000 0.197 596 D C 1.518 177.897 176.300 0.132 0.000 1.006 596 D CA 2.180 56.273 54.000 0.155 0.000 0.888 596 D CB -0.568 40.368 40.800 0.227 0.000 0.912 596 D HN 0.219 nan 8.370 nan 0.000 0.452 597 F N -1.570 118.363 119.950 -0.028 0.000 2.102 597 F HA 0.113 4.640 4.527 0.001 0.000 0.245 597 F C 1.664 177.321 175.800 -0.238 0.000 1.049 597 F CA -0.284 57.636 58.000 -0.135 0.000 1.227 597 F CB -0.402 38.476 39.000 -0.204 0.000 1.527 597 F HN -0.311 nan 8.300 nan 0.000 0.624 598 F N 1.500 121.526 119.950 0.125 0.000 2.009 598 F HA -0.139 4.388 4.527 0.000 0.000 0.293 598 F C 2.291 177.953 175.800 -0.230 0.000 1.156 598 F CA 2.133 60.108 58.000 -0.042 0.000 1.168 598 F CB -1.139 37.929 39.000 0.113 0.000 0.981 598 F HN -0.101 nan 8.300 nan 0.000 0.475 599 L N -0.048 121.202 121.223 0.046 0.000 2.043 599 L HA -0.275 4.066 4.340 0.001 0.000 0.212 599 L C 2.579 179.130 176.870 -0.532 0.000 1.075 599 L CA 1.811 56.567 54.840 -0.140 0.000 0.752 599 L CB -1.246 40.866 42.059 0.089 0.000 0.891 599 L HN 0.316 nan 8.230 nan 0.000 0.432 600 S N -1.110 113.909 115.700 -1.134 0.000 2.442 600 S HA -0.098 4.373 4.470 0.001 0.000 0.236 600 S C 1.783 176.028 174.600 -0.592 0.000 1.007 600 S CA 1.060 58.187 58.200 -1.788 0.000 0.965 600 S CB -0.418 61.484 63.200 -2.164 0.000 0.773 600 S HN 0.205 nan 8.310 nan 0.000 0.504 601 V N 1.251 120.978 119.914 -0.311 0.000 2.575 601 V HA 0.146 4.266 4.120 0.001 0.000 0.242 601 V C 2.335 178.335 176.094 -0.156 0.000 1.045 601 V CA 0.951 63.222 62.300 -0.048 0.000 1.065 601 V CB -0.433 31.283 31.823 -0.179 0.000 0.717 601 V HN 0.454 nan 8.190 nan 0.000 0.467 602 I N -0.489 119.873 120.570 -0.346 0.000 2.179 602 I HA -0.248 3.922 4.170 0.001 0.000 0.242 602 I C 2.583 178.500 176.117 -0.334 0.000 1.088 602 I CA 1.301 62.264 61.300 -0.561 0.000 1.357 602 I CB -0.329 37.111 38.000 -0.933 0.000 1.051 602 I HN 0.250 nan 8.210 nan 0.000 0.409 603 M N 0.627 120.104 119.600 -0.206 0.000 2.065 603 M HA -0.214 4.266 4.480 0.001 0.000 0.259 603 M C 2.655 178.991 176.300 0.059 0.000 1.069 603 M CA 2.233 57.531 55.300 -0.003 0.000 1.110 603 M CB -1.658 31.039 32.600 0.161 0.000 1.328 603 M HN 0.313 nan 8.290 nan 0.000 0.405 604 A N 0.294 123.150 122.820 0.060 0.000 1.883 604 A HA -0.080 4.240 4.320 0.001 0.000 0.217 604 A C 2.489 180.124 177.584 0.086 0.000 1.186 604 A CA 2.742 54.880 52.037 0.168 0.000 0.624 604 A CB -1.169 18.050 19.000 0.366 0.000 0.822 604 A HN 0.512 nan 8.150 nan 0.000 0.444 605 A N -0.027 122.653 122.820 -0.233 0.000 1.873 605 A HA -0.160 4.160 4.320 0.001 0.000 0.218 605 A C 2.170 179.685 177.584 -0.115 0.000 1.193 605 A CA 1.744 53.462 52.037 -0.531 0.000 0.629 605 A CB -0.707 17.957 19.000 -0.560 0.000 0.826 605 A HN 0.533 nan 8.150 nan 0.000 0.447 606 I N -1.560 119.000 120.570 -0.018 0.000 2.113 606 I HA -0.280 3.890 4.170 0.001 0.000 0.238 606 I C 2.615 178.746 176.117 0.023 0.000 1.070 606 I CA 1.734 63.054 61.300 0.032 0.000 1.332 606 I CB -0.768 37.285 38.000 0.087 0.000 1.044 606 I HN 0.531 nan 8.210 nan 0.000 0.402 607 H N 1.456 120.528 119.070 0.003 0.000 2.394 607 H HA -0.198 4.358 4.556 0.001 0.000 0.297 607 H C 1.911 177.250 175.328 0.018 0.000 1.113 607 H CA 1.838 57.904 56.048 0.031 0.000 1.277 607 H CB 0.216 30.025 29.762 0.078 0.000 1.370 607 H HN 0.381 nan 8.280 nan 0.000 0.506 608 E N -0.828 119.502 120.200 0.217 0.000 2.166 608 E HA 0.015 4.365 4.350 0.001 0.000 0.192 608 E C 2.422 178.922 176.600 -0.167 0.000 0.967 608 E CA 0.701 57.218 56.400 0.193 0.000 0.840 608 E CB -0.405 29.558 29.700 0.437 0.000 0.795 608 E HN 0.551 nan 8.360 nan 0.000 0.470 609 G N 0.779 109.230 108.800 -0.582 0.000 2.598 609 G HA2 -0.076 3.884 3.960 0.001 0.000 0.215 609 G HA3 -0.076 3.884 3.960 0.001 0.000 0.215 609 G C 1.501 176.111 174.900 -0.483 0.000 1.131 609 G CA 0.179 44.599 45.100 -1.134 0.000 0.785 609 G HN 0.121 nan 8.290 nan 0.000 0.539 610 V N 0.405 120.155 119.914 -0.273 0.000 3.650 610 V HA 0.217 4.337 4.120 0.001 0.000 0.271 610 V C 2.798 178.817 176.094 -0.126 0.000 1.281 610 V CA 0.821 63.020 62.300 -0.168 0.000 1.120 610 V CB 0.314 32.055 31.823 -0.137 0.000 0.856 610 V HN 0.415 nan 8.190 nan 0.000 0.443 611 A N 1.337 124.080 122.820 -0.128 0.000 1.849 611 A HA -0.278 4.042 4.320 0.001 0.000 0.217 611 A C 2.553 180.094 177.584 -0.072 0.000 1.202 611 A CA 2.772 54.757 52.037 -0.086 0.000 0.629 611 A CB -0.996 17.988 19.000 -0.027 0.000 0.834 611 A HN 0.699 nan 8.150 nan 0.000 0.447 612 S N -1.167 114.496 115.700 -0.061 0.000 2.402 612 S HA -0.069 4.401 4.470 0.001 0.000 0.229 612 S C 1.866 176.413 174.600 -0.089 0.000 1.021 612 S CA 1.636 59.800 58.200 -0.060 0.000 0.974 612 S CB -0.457 62.721 63.200 -0.036 0.000 0.800 612 S HN 0.415 nan 8.310 nan 0.000 0.484 613 S N 1.478 117.130 115.700 -0.079 0.000 2.478 613 S HA 0.105 4.575 4.470 0.001 0.000 0.222 613 S C 1.998 176.467 174.600 -0.219 0.000 1.008 613 S CA 0.660 58.803 58.200 -0.094 0.000 0.928 613 S CB -0.042 63.179 63.200 0.035 0.000 0.781 613 S HN 0.848 nan 8.310 nan 0.000 0.518 614 S N 0.696 116.319 115.700 -0.127 0.000 2.517 614 S HA 0.273 4.743 4.470 0.001 0.000 0.214 614 S C 0.578 175.035 174.600 -0.238 0.000 0.991 614 S CA -0.462 57.625 58.200 -0.189 0.000 0.906 614 S CB -0.522 62.742 63.200 0.106 0.000 0.789 614 S HN 0.441 nan 8.310 nan 0.000 0.513 615 I N 3.049 123.508 120.570 -0.183 0.000 3.075 615 I HA 0.124 4.295 4.170 0.001 0.000 0.320 615 I C 1.147 177.171 176.117 -0.154 0.000 1.211 615 I CA 1.600 62.818 61.300 -0.137 0.000 1.463 615 I CB 0.004 37.938 38.000 -0.110 0.000 1.308 615 I HN 0.601 nan 8.210 nan 0.000 0.553 616 G N 6.255 114.998 108.800 -0.095 0.000 2.386 616 G HA2 -0.287 3.673 3.960 0.001 0.000 0.295 616 G HA3 -0.287 3.673 3.960 0.001 0.000 0.295 616 G C -0.232 174.611 174.900 -0.094 0.000 0.979 616 G CA 0.447 45.500 45.100 -0.078 0.000 1.193 616 G HN 0.744 nan 8.290 nan 0.000 0.508 617 K N -0.028 120.331 120.400 -0.070 0.000 2.578 617 K HA 0.398 4.718 4.320 0.001 0.000 0.269 617 K C -2.787 173.862 176.600 0.081 0.000 0.941 617 K CA -1.594 54.674 56.287 -0.032 0.000 0.847 617 K CB 3.239 35.639 32.500 -0.168 0.000 1.397 617 K HN 0.093 nan 8.250 nan 0.000 0.422 618 P HA 0.449 nan 4.420 nan 0.000 0.297 618 P C -1.262 176.250 177.300 0.353 0.000 1.307 618 P CA -0.469 62.727 63.100 0.160 0.000 0.773 618 P CB 0.877 32.630 31.700 0.090 0.000 1.265 619 F N 0.168 120.153 119.950 0.059 0.000 2.651 619 F HA 0.332 4.859 4.527 0.000 0.000 0.329 619 F C 0.316 176.108 175.800 -0.013 0.000 1.186 619 F CA -0.628 57.416 58.000 0.075 0.000 1.046 619 F CB 0.844 39.898 39.000 0.089 0.000 1.296 619 F HN 0.307 nan 8.300 nan 0.000 0.497 620 M N 5.086 124.355 119.600 -0.551 0.000 2.436 620 M HA -0.270 4.210 4.480 0.001 0.000 0.197 620 M C 1.088 177.249 176.300 -0.232 0.000 0.442 620 M CA 1.630 56.645 55.300 -0.475 0.000 0.473 620 M CB -1.821 30.404 32.600 -0.626 0.000 1.685 620 M HN 1.357 nan 8.290 nan 0.000 0.835 621 G N -1.946 106.765 108.800 -0.149 0.000 2.284 621 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 621 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 621 G C -0.066 174.772 174.900 -0.103 0.000 1.009 621 G CA -0.228 44.817 45.100 -0.092 0.000 0.625 621 G HN 0.488 nan 8.290 nan 0.000 0.501 622 V N 4.409 124.190 119.914 -0.221 0.000 2.572 622 V HA 0.446 4.566 4.120 0.001 0.000 0.291 622 V C -0.991 174.970 176.094 -0.221 0.000 1.039 622 V CA -0.562 61.445 62.300 -0.488 0.000 1.055 622 V CB 1.166 32.616 31.823 -0.622 0.000 0.969 622 V HN 0.385 nan 8.190 nan 0.000 0.482 623 P HA 0.452 nan 4.420 nan 0.000 0.281 623 P C -0.605 176.686 177.300 -0.015 0.000 1.264 623 P CA -0.512 62.569 63.100 -0.031 0.000 0.824 623 P CB 1.515 33.237 31.700 0.036 0.000 1.092 624 A N 1.378 124.210 122.820 0.020 0.000 2.296 624 A HA 0.613 4.934 4.320 0.001 0.000 0.264 624 A C 0.561 178.174 177.584 0.048 0.000 1.097 624 A CA 0.333 52.387 52.037 0.028 0.000 0.811 624 A CB -0.350 18.662 19.000 0.020 0.000 1.072 624 A HN 0.773 nan 8.150 nan 0.000 0.495 625 S N -1.255 114.479 115.700 0.057 0.000 2.815 625 S HA 0.708 5.179 4.470 0.001 0.000 0.296 625 S C -1.030 173.608 174.600 0.063 0.000 1.224 625 S CA -0.568 57.674 58.200 0.071 0.000 0.938 625 S CB 0.187 63.452 63.200 0.109 0.000 1.285 625 S HN 0.739 nan 8.310 nan 0.000 0.549 626 I N 0.705 121.314 120.570 0.065 0.000 2.545 626 I HA 0.789 4.959 4.170 0.001 0.000 0.292 626 I C -0.972 175.182 176.117 0.061 0.000 1.040 626 I CA -0.933 60.401 61.300 0.057 0.000 1.068 626 I CB 1.961 39.986 38.000 0.042 0.000 1.251 626 I HN 0.549 nan 8.210 nan 0.000 0.424 627 V N 5.263 125.216 119.914 0.064 0.000 3.001 627 V HA 0.458 4.578 4.120 0.001 0.000 0.314 627 V C -0.675 175.445 176.094 0.044 0.000 1.099 627 V CA -0.691 61.644 62.300 0.058 0.000 0.989 627 V CB 2.444 34.316 31.823 0.081 0.000 1.040 627 V HN 0.852 nan 8.190 nan 0.000 0.434 628 N N 2.858 121.576 118.700 0.029 0.000 2.513 628 N HA 0.087 4.827 4.740 0.001 0.000 0.268 628 N C -1.248 174.279 175.510 0.027 0.000 1.180 628 N CA 0.104 53.168 53.050 0.023 0.000 0.948 628 N CB 1.202 39.696 38.487 0.011 0.000 1.083 628 N HN 0.756 nan 8.380 nan 0.000 0.455 629 D N 2.333 122.750 120.400 0.029 0.000 2.375 629 D HA 0.286 4.926 4.640 0.001 0.000 0.247 629 D C -0.736 175.580 176.300 0.027 0.000 1.061 629 D CA -0.121 53.898 54.000 0.033 0.000 0.834 629 D CB 0.819 41.643 40.800 0.040 0.000 1.247 629 D HN 0.593 nan 8.370 nan 0.000 0.489 630 E N 1.545 121.762 120.200 0.028 0.000 3.067 630 E HA 0.114 4.464 4.350 0.001 0.000 0.188 630 E C 0.872 177.491 176.600 0.033 0.000 0.964 630 E CA -0.070 56.346 56.400 0.026 0.000 1.286 630 E CB 0.666 30.379 29.700 0.022 0.000 1.051 630 E HN 0.300 nan 8.360 nan 0.000 0.465 631 S N 0.085 115.807 115.700 0.037 0.000 2.398 631 S HA -0.123 4.347 4.470 0.001 0.000 0.220 631 S C 1.281 175.900 174.600 0.032 0.000 1.038 631 S CA 0.803 59.028 58.200 0.041 0.000 1.080 631 S CB -0.160 63.066 63.200 0.044 0.000 1.039 631 S HN 0.098 nan 8.310 nan 0.000 0.419 632 V N 2.566 122.496 119.914 0.026 0.000 3.139 632 V HA 0.086 4.206 4.120 0.001 0.000 0.307 632 V C 0.400 176.505 176.094 0.018 0.000 1.095 632 V CA -0.415 61.896 62.300 0.019 0.000 1.160 632 V CB 0.398 32.231 31.823 0.016 0.000 1.003 632 V HN 0.262 nan 8.190 nan 0.000 0.489 633 V N 3.679 123.601 119.914 0.014 0.000 2.555 633 V HA 0.531 4.651 4.120 0.001 0.000 0.286 633 V C 1.371 177.473 176.094 0.012 0.000 1.044 633 V CA 1.196 63.504 62.300 0.014 0.000 1.026 633 V CB -0.164 31.666 31.823 0.011 0.000 0.981 633 V HN 1.303 nan 8.190 nan 0.000 0.480 634 G N 4.291 113.099 108.800 0.012 0.000 5.155 634 G HA2 -0.279 3.682 3.960 0.001 0.000 0.239 634 G HA3 -0.279 3.682 3.960 0.001 0.000 0.239 634 G C 0.368 175.275 174.900 0.012 0.000 1.409 634 G CA -0.012 45.094 45.100 0.011 0.000 0.927 634 G HN 1.008 nan 8.290 nan 0.000 0.710 635 V N 2.571 122.492 119.914 0.012 0.000 2.611 635 V HA 0.251 4.372 4.120 0.001 0.000 0.296 635 V C 0.963 177.066 176.094 0.016 0.000 1.006 635 V CA 1.800 64.108 62.300 0.014 0.000 1.194 635 V CB 0.275 32.107 31.823 0.015 0.000 0.871 635 V HN 0.735 nan 8.190 nan 0.000 0.470 636 R N 4.414 124.923 120.500 0.015 0.000 2.472 636 R HA 0.657 4.997 4.340 0.001 0.000 0.294 636 R C -0.388 175.922 176.300 0.016 0.000 1.243 636 R CA -0.038 56.072 56.100 0.016 0.000 1.023 636 R CB 1.160 31.468 30.300 0.013 0.000 1.157 636 R HN 0.768 nan 8.270 nan 0.000 0.530 637 A N 2.430 125.261 122.820 0.020 0.000 2.414 637 A HA 0.910 5.230 4.320 0.001 0.000 0.278 637 A C -1.044 176.554 177.584 0.024 0.000 1.228 637 A CA -0.568 51.481 52.037 0.020 0.000 0.857 637 A CB 1.380 20.393 19.000 0.021 0.000 1.389 637 A HN 0.709 nan 8.150 nan 0.000 0.452 638 A N -0.308 122.526 122.820 0.025 0.000 2.306 638 A HA 0.746 5.066 4.320 0.001 0.000 0.330 638 A C 0.021 177.627 177.584 0.036 0.000 1.146 638 A CA -0.529 51.525 52.037 0.029 0.000 0.827 638 A CB 0.627 19.643 19.000 0.026 0.000 1.178 638 A HN 0.857 nan 8.150 nan 0.000 0.490 639 R N 1.804 122.331 120.500 0.046 0.000 2.513 639 R HA 0.504 4.844 4.340 0.001 0.000 0.301 639 R C -3.103 173.230 176.300 0.056 0.000 0.968 639 R CA -1.753 54.379 56.100 0.054 0.000 0.872 639 R CB 1.883 32.227 30.300 0.073 0.000 1.177 639 R HN 0.390 nan 8.270 nan 0.000 0.444 640 P HA 0.143 nan 4.420 nan 0.000 0.280 640 P C -0.734 176.587 177.300 0.035 0.000 1.300 640 P CA -0.100 63.021 63.100 0.035 0.000 0.785 640 P CB 0.352 32.064 31.700 0.020 0.000 0.874 641 I N 0.104 120.700 120.570 0.044 0.000 2.607 641 I HA 0.641 4.811 4.170 0.001 0.000 0.305 641 I C 0.272 176.392 176.117 0.005 0.000 0.995 641 I CA -1.003 60.312 61.300 0.025 0.000 1.148 641 I CB 2.109 40.150 38.000 0.068 0.000 1.323 641 I HN 0.174 nan 8.210 nan 0.000 0.461 642 S N 3.136 118.817 115.700 -0.031 0.000 2.614 642 S HA 0.351 4.821 4.470 0.001 0.000 0.265 642 S C 1.270 175.874 174.600 0.006 0.000 1.303 642 S CA -0.143 58.047 58.200 -0.017 0.000 1.000 642 S CB 1.231 64.411 63.200 -0.034 0.000 0.935 642 S HN 0.995 nan 8.310 nan 0.000 0.551 643 G N 0.754 109.577 108.800 0.038 0.000 2.469 643 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 643 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 643 G C 1.263 176.192 174.900 0.049 0.000 1.150 643 G CA 1.136 46.255 45.100 0.033 0.000 0.763 643 G HN 0.761 nan 8.290 nan 0.000 0.561 644 M N -0.092 119.550 119.600 0.070 0.000 2.108 644 M HA -0.117 4.364 4.480 0.001 0.000 0.261 644 M C 2.728 179.010 176.300 -0.030 0.000 1.066 644 M CA 1.652 56.941 55.300 -0.018 0.000 1.107 644 M CB -0.110 32.382 32.600 -0.181 0.000 1.356 644 M HN 0.287 nan 8.290 nan 0.000 0.406 645 Q N -0.507 119.248 119.800 -0.075 0.000 2.172 645 Q HA -0.160 4.180 4.340 0.001 0.000 0.200 645 Q C 1.747 177.768 176.000 0.035 0.000 0.964 645 Q CA 1.232 56.944 55.803 -0.151 0.000 0.855 645 Q CB -0.298 28.231 28.738 -0.347 0.000 0.918 645 Q HN 0.537 nan 8.270 nan 0.000 0.444 646 N N 0.802 119.539 118.700 0.061 0.000 2.223 646 N HA -0.120 4.620 4.740 0.001 0.000 0.185 646 N C 1.545 177.184 175.510 0.213 0.000 1.016 646 N CA 1.215 54.357 53.050 0.152 0.000 0.863 646 N CB 0.038 38.567 38.487 0.070 0.000 0.983 646 N HN 0.228 nan 8.380 nan 0.000 0.429 647 M N -0.343 119.318 119.600 0.101 0.000 2.077 647 M HA -0.120 4.360 4.480 0.001 0.000 0.261 647 M C 1.804 178.219 176.300 0.193 0.000 1.070 647 M CA 1.073 56.446 55.300 0.123 0.000 1.125 647 M CB -0.261 32.405 32.600 0.110 0.000 1.339 647 M HN 0.056 nan 8.290 nan 0.000 0.409 648 I N 0.414 121.094 120.570 0.182 0.000 2.194 648 I HA -0.287 3.884 4.170 0.001 0.000 0.246 648 I C 2.479 178.735 176.117 0.231 0.000 1.093 648 I CA 1.692 63.121 61.300 0.215 0.000 1.355 648 I CB -1.301 36.847 38.000 0.246 0.000 1.046 648 I HN 0.383 nan 8.210 nan 0.000 0.413 649 Q N 0.633 120.586 119.800 0.256 0.000 2.045 649 Q HA -0.241 4.099 4.340 0.001 0.000 0.206 649 Q C 2.274 178.320 176.000 0.077 0.000 0.991 649 Q CA 2.064 57.976 55.803 0.182 0.000 0.851 649 Q CB -0.327 28.527 28.738 0.194 0.000 0.911 649 Q HN 0.565 nan 8.270 nan 0.000 0.418 650 H N -1.298 117.831 119.070 0.099 0.000 2.395 650 H HA -0.032 4.524 4.556 0.000 0.000 0.299 650 H C 1.530 176.839 175.328 -0.031 0.000 1.070 650 H CA 1.218 57.301 56.048 0.058 0.000 1.356 650 H CB -0.092 29.763 29.762 0.155 0.000 1.401 650 H HN 0.215 nan 8.280 nan 0.000 0.524 651 L N -0.050 121.223 121.223 0.083 0.000 2.093 651 L HA -0.120 4.220 4.340 0.001 0.000 0.208 651 L C 2.058 178.809 176.870 -0.198 0.000 1.085 651 L CA 1.423 56.181 54.840 -0.136 0.000 0.755 651 L CB -0.535 41.471 42.059 -0.088 0.000 0.904 651 L HN 0.060 nan 8.230 nan 0.000 0.435 652 S N -0.546 115.173 115.700 0.032 0.000 2.399 652 S HA -0.228 4.243 4.470 0.001 0.000 0.231 652 S C 1.945 176.440 174.600 -0.175 0.000 1.022 652 S CA 1.528 59.804 58.200 0.126 0.000 0.983 652 S CB -0.298 63.042 63.200 0.233 0.000 0.803 652 S HN 0.471 nan 8.310 nan 0.000 0.480 653 K N 0.749 121.042 120.400 -0.178 0.000 2.057 653 K HA -0.042 4.278 4.320 0.001 0.000 0.206 653 K C 2.116 178.543 176.600 -0.288 0.000 1.050 653 K CA 0.941 57.078 56.287 -0.250 0.000 0.935 653 K CB -0.211 32.166 32.500 -0.205 0.000 0.715 653 K HN 0.243 nan 8.250 nan 0.000 0.439 654 L N 0.375 121.429 121.223 -0.283 0.000 2.072 654 L HA -0.107 4.233 4.340 0.001 0.000 0.205 654 L C 1.820 178.474 176.870 -0.361 0.000 1.079 654 L CA 1.659 56.266 54.840 -0.387 0.000 0.752 654 L CB -0.730 41.069 42.059 -0.432 0.000 0.906 654 L HN 0.171 nan 8.230 nan 0.000 0.436 655 Y N 0.495 120.687 120.300 -0.181 0.000 2.274 655 Y HA -0.192 4.358 4.550 0.001 0.000 0.290 655 Y C 2.508 178.288 175.900 -0.201 0.000 1.145 655 Y CA 1.223 59.313 58.100 -0.018 0.000 1.203 655 Y CB -0.704 37.932 38.460 0.293 0.000 0.984 655 Y HN 0.294 nan 8.280 nan 0.000 0.533 656 K N -0.409 119.732 120.400 -0.432 0.000 2.044 656 K HA -0.104 4.216 4.320 0.001 0.000 0.204 656 K C 2.358 178.732 176.600 -0.376 0.000 1.049 656 K CA 0.926 56.768 56.287 -0.742 0.000 0.945 656 K CB -0.134 31.755 32.500 -1.018 0.000 0.724 656 K HN 0.083 nan 8.250 nan 0.000 0.440 657 R N 0.402 120.713 120.500 -0.314 0.000 2.066 657 R HA -0.074 4.266 4.340 0.001 0.000 0.232 657 R C 0.524 176.719 176.300 -0.174 0.000 1.131 657 R CA 1.592 57.555 56.100 -0.228 0.000 0.955 657 R CB 0.016 30.180 30.300 -0.227 0.000 0.851 657 R HN 0.355 nan 8.270 nan 0.000 0.432 658 G N -1.519 107.140 108.800 -0.234 0.000 2.422 658 G HA2 -0.123 3.837 3.960 0.001 0.000 0.607 658 G HA3 -0.123 3.837 3.960 0.001 0.000 0.607 658 G C -1.130 173.547 174.900 -0.371 0.000 1.270 658 G CA -0.576 44.445 45.100 -0.132 0.000 0.992 658 G HN 0.138 nan 8.290 nan 0.000 0.499 659 F N 0.606 120.549 119.950 -0.011 0.000 2.482 659 F HA 0.620 5.148 4.527 0.001 0.000 0.331 659 F C 0.807 176.636 175.800 0.048 0.000 1.115 659 F CA -0.602 57.398 58.000 0.002 0.000 0.955 659 F CB 2.614 41.600 39.000 -0.024 0.000 1.136 659 F HN 0.312 nan 8.300 nan 0.000 0.452 660 S N 3.123 118.925 115.700 0.170 0.000 2.642 660 S HA 0.129 4.599 4.470 0.001 0.000 0.309 660 S C -0.872 173.860 174.600 0.221 0.000 1.125 660 S CA -0.337 57.958 58.200 0.158 0.000 1.055 660 S CB -0.588 62.653 63.200 0.069 0.000 1.157 660 S HN 0.417 nan 8.310 nan 0.000 0.513 661 Y N 3.769 124.157 120.300 0.147 0.000 2.486 661 Y HA 0.225 4.775 4.550 0.001 0.000 0.348 661 Y C 0.704 176.644 175.900 0.066 0.000 1.000 661 Y CA -0.620 57.562 58.100 0.135 0.000 1.253 661 Y CB 0.268 38.861 38.460 0.221 0.000 1.140 661 Y HN 0.458 nan 8.280 nan 0.000 0.526 662 R N 5.074 125.423 120.500 -0.252 0.000 2.216 662 R HA 0.451 4.791 4.340 0.001 0.000 0.332 662 R C -1.632 174.433 176.300 -0.391 0.000 1.056 662 R CA -0.349 55.606 56.100 -0.242 0.000 0.901 662 R CB 0.316 30.506 30.300 -0.183 0.000 1.039 662 R HN 0.527 nan 8.270 nan 0.000 0.456 663 V N 5.796 125.451 119.914 -0.432 0.000 2.311 663 V HA 0.198 4.319 4.120 0.001 0.000 0.275 663 V C -0.245 175.638 176.094 -0.352 0.000 1.022 663 V CA -0.740 61.275 62.300 -0.474 0.000 0.830 663 V CB 1.155 32.474 31.823 -0.840 0.000 1.012 663 V HN 0.739 nan 8.190 nan 0.000 0.452 664 N N 3.438 122.027 118.700 -0.185 0.000 2.699 664 N HA 0.160 4.900 4.740 0.001 0.000 0.232 664 N C -0.562 174.932 175.510 -0.027 0.000 1.027 664 N CA -0.301 52.694 53.050 -0.092 0.000 0.920 664 N CB 1.178 39.615 38.487 -0.083 0.000 1.148 664 N HN 0.592 nan 8.380 nan 0.000 0.509 665 D N 1.119 121.536 120.400 0.028 0.000 2.416 665 D HA 0.009 4.650 4.640 0.001 0.000 0.240 665 D C 1.129 177.477 176.300 0.080 0.000 1.250 665 D CA 0.028 54.098 54.000 0.116 0.000 0.967 665 D CB 0.479 41.389 40.800 0.183 0.000 1.059 665 D HN 0.380 nan 8.370 nan 0.000 0.512 666 S N 2.224 117.921 115.700 -0.006 0.000 2.500 666 S HA -0.132 4.339 4.470 0.001 0.000 0.239 666 S C 1.584 176.011 174.600 -0.288 0.000 0.989 666 S CA 0.388 58.475 58.200 -0.189 0.000 0.951 666 S CB -0.315 62.686 63.200 -0.332 0.000 0.759 666 S HN 0.407 nan 8.310 nan 0.000 0.523 667 F N 1.778 121.734 119.950 0.010 0.000 2.446 667 F HA 0.307 4.834 4.527 0.001 0.000 0.292 667 F C 1.191 176.991 175.800 -0.000 0.000 1.096 667 F CA 0.045 58.049 58.000 0.005 0.000 1.438 667 F CB -0.053 38.958 39.000 0.019 0.000 1.107 667 F HN 0.039 nan 8.300 nan 0.000 0.546 668 S N 1.899 117.710 115.700 0.186 0.000 2.488 668 S HA 0.313 4.784 4.470 0.001 0.000 0.310 668 S C -2.504 172.136 174.600 0.066 0.000 1.093 668 S CA -1.322 56.941 58.200 0.104 0.000 1.129 668 S CB 0.517 63.789 63.200 0.120 0.000 0.989 668 S HN -0.208 nan 8.310 nan 0.000 0.479 669 P HA 0.107 nan 4.420 nan 0.000 0.261 669 P C 1.044 178.363 177.300 0.032 0.000 1.173 669 P CA 1.058 64.169 63.100 0.018 0.000 0.760 669 P CB 0.218 31.920 31.700 0.003 0.000 0.783 670 G N 2.646 111.469 108.800 0.038 0.000 2.179 670 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 670 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 670 G C 0.210 175.164 174.900 0.091 0.000 0.977 670 G CA -0.305 44.826 45.100 0.051 0.000 0.641 670 G HN 0.636 nan 8.290 nan 0.000 0.533 671 N N 2.019 120.794 118.700 0.125 0.000 3.188 671 N HA 0.268 5.008 4.740 0.001 0.000 0.279 671 N C -1.249 174.450 175.510 0.314 0.000 1.213 671 N CA -0.274 52.921 53.050 0.241 0.000 1.138 671 N CB 0.346 38.984 38.487 0.252 0.000 1.417 671 N HN 0.266 nan 8.380 nan 0.000 0.526 672 D N 2.424 122.998 120.400 0.290 0.000 2.391 672 D HA 0.365 5.005 4.640 0.001 0.000 0.245 672 D C -0.454 176.046 176.300 0.334 0.000 1.069 672 D CA -0.124 53.985 54.000 0.182 0.000 0.831 672 D CB 1.471 42.323 40.800 0.086 0.000 1.204 672 D HN 0.297 nan 8.370 nan 0.000 0.503 673 F N -1.907 118.079 119.950 0.060 0.000 2.746 673 F HA 0.350 4.878 4.527 0.001 0.000 0.311 673 F C -1.340 174.526 175.800 0.110 0.000 1.135 673 F CA -0.982 57.066 58.000 0.080 0.000 0.954 673 F CB 1.035 40.093 39.000 0.097 0.000 1.276 673 F HN -0.085 nan 8.300 nan 0.000 0.440 674 T N 2.352 117.025 114.554 0.198 0.000 2.767 674 T HA 0.281 4.631 4.350 0.001 0.000 0.284 674 T C -1.318 173.578 174.700 0.327 0.000 0.973 674 T CA -0.283 61.904 62.100 0.144 0.000 0.996 674 T CB 0.388 69.314 68.868 0.096 0.000 0.927 674 T HN 0.733 nan 8.240 nan 0.000 0.456 675 H N 3.455 122.677 119.070 0.253 0.000 2.489 675 H HA 0.538 5.094 4.556 0.001 0.000 0.343 675 H C -0.971 174.503 175.328 0.243 0.000 1.086 675 H CA -0.933 55.311 56.048 0.327 0.000 1.198 675 H CB 1.489 31.528 29.762 0.462 0.000 1.490 675 H HN 0.454 nan 8.280 nan 0.000 0.504 676 M N 3.798 123.416 119.600 0.030 0.000 2.209 676 M HA 0.247 4.727 4.480 0.001 0.000 0.355 676 M C -0.691 175.684 176.300 0.126 0.000 1.171 676 M CA -0.019 55.334 55.300 0.087 0.000 1.069 676 M CB 1.036 33.640 32.600 0.006 0.000 1.622 676 M HN 0.587 nan 8.290 nan 0.000 0.459 677 T N 1.537 116.195 114.554 0.173 0.000 2.916 677 T HA 0.529 4.879 4.350 0.001 0.000 0.305 677 T C 0.429 175.208 174.700 0.132 0.000 1.119 677 T CA -0.117 62.068 62.100 0.142 0.000 1.008 677 T CB 1.096 69.956 68.868 -0.014 0.000 1.129 677 T HN 0.800 nan 8.240 nan 0.000 0.480 678 T N 0.463 115.103 114.554 0.143 0.000 3.122 678 T HA 0.251 4.601 4.350 0.001 0.000 0.250 678 T C 0.706 175.528 174.700 0.203 0.000 1.067 678 T CA -0.199 62.017 62.100 0.192 0.000 0.966 678 T CB -0.387 68.591 68.868 0.185 0.000 1.002 678 T HN 0.563 nan 8.240 nan 0.000 0.542 679 T N 2.549 117.165 114.554 0.103 0.000 2.898 679 T HA 0.358 4.708 4.350 0.001 0.000 0.301 679 T C -0.370 174.376 174.700 0.075 0.000 1.049 679 T CA -0.479 61.677 62.100 0.093 0.000 1.095 679 T CB 0.293 69.165 68.868 0.005 0.000 0.976 679 T HN 0.351 nan 8.240 nan 0.000 0.539 680 F N 3.719 123.687 119.950 0.029 0.000 2.459 680 F HA 0.344 4.871 4.527 0.001 0.000 0.346 680 F C -2.034 173.681 175.800 -0.142 0.000 1.128 680 F CA -2.095 55.910 58.000 0.010 0.000 1.268 680 F CB 0.609 39.680 39.000 0.119 0.000 1.161 680 F HN 0.321 nan 8.300 nan 0.000 0.583 681 P HA 0.180 nan 4.420 nan 0.000 0.280 681 P C -0.617 176.662 177.300 -0.034 0.000 1.244 681 P CA 0.020 62.800 63.100 -0.534 0.000 0.784 681 P CB 1.390 32.586 31.700 -0.840 0.000 0.913 682 S N 1.825 117.544 115.700 0.033 0.000 2.441 682 S HA 0.036 4.507 4.470 0.001 0.000 0.224 682 S C 1.924 176.565 174.600 0.069 0.000 1.043 682 S CA 0.709 58.977 58.200 0.113 0.000 0.948 682 S CB -0.429 62.840 63.200 0.114 0.000 0.810 682 S HN 0.658 nan 8.310 nan 0.000 0.504 683 G N 1.594 110.416 108.800 0.038 0.000 2.990 683 G HA2 0.084 4.045 3.960 0.001 0.000 0.206 683 G HA3 0.084 4.045 3.960 0.001 0.000 0.206 683 G C 0.317 175.237 174.900 0.033 0.000 1.169 683 G CA 0.020 45.144 45.100 0.040 0.000 0.819 683 G HN 0.431 nan 8.290 nan 0.000 0.517 684 S N -0.200 115.520 115.700 0.033 0.000 2.565 684 S HA 0.275 4.745 4.470 0.001 0.000 0.274 684 S C 1.940 176.588 174.600 0.079 0.000 1.309 684 S CA 0.345 58.574 58.200 0.048 0.000 1.043 684 S CB 1.057 64.285 63.200 0.048 0.000 0.939 684 S HN 0.339 nan 8.310 nan 0.000 0.504 685 T N 2.203 116.809 114.554 0.087 0.000 3.098 685 T HA 0.053 4.403 4.350 0.001 0.000 0.266 685 T C 1.511 176.269 174.700 0.097 0.000 1.145 685 T CA 0.819 62.983 62.100 0.105 0.000 1.092 685 T CB -0.327 68.631 68.868 0.151 0.000 0.908 685 T HN 0.662 nan 8.240 nan 0.000 0.526 686 A N 1.523 124.400 122.820 0.095 0.000 1.956 686 A HA 0.182 4.503 4.320 0.001 0.000 0.212 686 A C 2.400 179.962 177.584 -0.036 0.000 1.188 686 A CA 1.206 53.263 52.037 0.033 0.000 0.675 686 A CB -1.140 17.825 19.000 -0.057 0.000 0.845 686 A HN 0.495 nan 8.150 nan 0.000 0.455 687 T N 0.349 114.927 114.554 0.040 0.000 2.270 687 T HA -0.337 4.013 4.350 0.001 0.000 0.212 687 T C 2.122 176.576 174.700 -0.410 0.000 1.575 687 T CA 2.557 64.553 62.100 -0.174 0.000 1.106 687 T CB -1.020 67.852 68.868 0.007 0.000 0.844 687 T HN 0.517 nan 8.240 nan 0.000 0.414 688 S N -0.161 115.450 115.700 -0.149 0.000 2.365 688 S HA -0.223 4.247 4.470 0.001 0.000 0.221 688 S C 2.328 176.909 174.600 -0.032 0.000 1.037 688 S CA 2.585 60.742 58.200 -0.072 0.000 1.060 688 S CB -1.096 62.104 63.200 -0.000 0.000 0.974 688 S HN 0.664 nan 8.310 nan 0.000 0.427 689 T N 0.942 115.502 114.554 0.010 0.000 2.759 689 T HA -0.138 4.213 4.350 0.001 0.000 0.269 689 T C 1.861 176.626 174.700 0.109 0.000 1.042 689 T CA 1.844 63.988 62.100 0.074 0.000 1.140 689 T CB -0.563 68.367 68.868 0.104 0.000 0.864 689 T HN 0.489 nan 8.240 nan 0.000 0.455 690 E N -0.444 119.781 120.200 0.043 0.000 2.150 690 E HA -0.140 4.210 4.350 0.001 0.000 0.193 690 E C 1.870 178.595 176.600 0.207 0.000 0.985 690 E CA 1.017 57.512 56.400 0.158 0.000 0.814 690 E CB -0.175 29.453 29.700 -0.120 0.000 0.752 690 E HN 0.627 nan 8.360 nan 0.000 0.466 691 H N -0.289 118.778 119.070 -0.005 0.000 2.436 691 H HA 0.040 4.596 4.556 0.001 0.000 0.294 691 H C 2.040 177.414 175.328 0.076 0.000 1.048 691 H CA 1.572 57.599 56.048 -0.036 0.000 1.353 691 H CB -0.439 29.246 29.762 -0.128 0.000 1.414 691 H HN 0.126 nan 8.280 nan 0.000 0.536 692 T N 0.568 115.251 114.554 0.215 0.000 2.821 692 T HA -0.067 4.283 4.350 0.001 0.000 0.267 692 T C 2.312 177.152 174.700 0.234 0.000 1.046 692 T CA 1.171 63.391 62.100 0.199 0.000 1.139 692 T CB -0.280 68.680 68.868 0.153 0.000 0.871 692 T HN 0.427 nan 8.240 nan 0.000 0.454 693 A N 2.467 125.427 122.820 0.234 0.000 1.873 693 A HA -0.114 4.206 4.320 0.001 0.000 0.215 693 A C 2.297 180.076 177.584 0.326 0.000 1.186 693 A CA 1.259 53.414 52.037 0.197 0.000 0.616 693 A CB -0.553 18.478 19.000 0.052 0.000 0.823 693 A HN 0.366 nan 8.150 nan 0.000 0.442 694 N N 0.504 119.491 118.700 0.478 0.000 2.188 694 N HA -0.165 4.576 4.740 0.001 0.000 0.184 694 N C 1.670 177.514 175.510 0.558 0.000 1.018 694 N CA 1.241 54.617 53.050 0.542 0.000 0.858 694 N CB -0.597 38.140 38.487 0.417 0.000 0.989 694 N HN 0.551 nan 8.380 nan 0.000 0.426 695 N N 1.589 120.612 118.700 0.538 0.000 2.005 695 N HA -0.171 4.569 4.740 0.001 0.000 0.199 695 N C 1.683 177.518 175.510 0.542 0.000 1.054 695 N CA 2.362 55.758 53.050 0.577 0.000 0.864 695 N CB -0.565 38.164 38.487 0.403 0.000 1.063 695 N HN 0.292 nan 8.380 nan 0.000 0.428 696 S N -1.387 114.590 115.700 0.462 0.000 2.399 696 S HA -0.087 4.383 4.470 0.001 0.000 0.231 696 S C 2.050 176.823 174.600 0.288 0.000 1.022 696 S CA 1.714 60.159 58.200 0.409 0.000 0.983 696 S CB -0.962 62.444 63.200 0.343 0.000 0.803 696 S HN 0.387 nan 8.310 nan 0.000 0.480 697 T N 2.813 117.539 114.554 0.288 0.000 2.737 697 T HA 0.060 4.411 4.350 0.001 0.000 0.265 697 T C 1.909 176.762 174.700 0.254 0.000 1.038 697 T CA 1.505 63.755 62.100 0.250 0.000 1.144 697 T CB -0.326 68.716 68.868 0.291 0.000 0.866 697 T HN 0.268 nan 8.240 nan 0.000 0.434 698 M N 0.452 120.225 119.600 0.288 0.000 2.159 698 M HA 0.073 4.553 4.480 0.001 0.000 0.263 698 M C 2.314 178.831 176.300 0.361 0.000 1.063 698 M CA 1.257 56.724 55.300 0.279 0.000 1.110 698 M CB -1.122 31.564 32.600 0.144 0.000 1.374 698 M HN 0.246 nan 8.290 nan 0.000 0.411 699 M N 0.535 120.293 119.600 0.263 0.000 2.229 699 M HA -0.118 4.363 4.480 0.001 0.000 0.264 699 M C 1.942 178.281 176.300 0.065 0.000 1.063 699 M CA 1.608 56.939 55.300 0.052 0.000 1.114 699 M CB -0.544 31.871 32.600 -0.308 0.000 1.387 699 M HN 0.147 nan 8.290 nan 0.000 0.420 700 E N -0.770 119.489 120.200 0.099 0.000 2.028 700 E HA -0.145 4.205 4.350 0.001 0.000 0.191 700 E C 1.784 178.409 176.600 0.041 0.000 0.988 700 E CA 1.933 58.377 56.400 0.073 0.000 0.799 700 E CB -0.352 29.408 29.700 0.100 0.000 0.755 700 E HN 0.480 nan 8.360 nan 0.000 0.447 701 T N 1.210 115.811 114.554 0.078 0.000 2.759 701 T HA -0.167 4.183 4.350 0.001 0.000 0.269 701 T C 1.562 176.240 174.700 -0.037 0.000 1.042 701 T CA 1.429 63.534 62.100 0.009 0.000 1.140 701 T CB -0.466 68.494 68.868 0.154 0.000 0.864 701 T HN 0.220 nan 8.240 nan 0.000 0.455 702 F N 1.749 121.553 119.950 -0.244 0.000 2.014 702 F HA -0.010 4.518 4.527 0.001 0.000 0.295 702 F C 1.998 177.664 175.800 -0.223 0.000 1.145 702 F CA 1.209 58.891 58.000 -0.530 0.000 1.178 702 F CB -0.654 37.853 39.000 -0.822 0.000 0.972 702 F HN -0.008 nan 8.300 nan 0.000 0.476 703 L N -0.196 120.966 121.223 -0.102 0.000 2.081 703 L HA -0.274 4.066 4.340 0.001 0.000 0.212 703 L C 2.251 178.998 176.870 -0.205 0.000 1.080 703 L CA 1.977 56.720 54.840 -0.162 0.000 0.754 703 L CB -1.034 41.036 42.059 0.019 0.000 0.893 703 L HN 0.315 nan 8.230 nan 0.000 0.433 704 T N -1.799 112.658 114.554 -0.161 0.000 2.976 704 T HA 0.017 4.367 4.350 0.001 0.000 0.257 704 T C 1.629 176.214 174.700 -0.191 0.000 1.051 704 T CA 0.778 62.787 62.100 -0.150 0.000 1.141 704 T CB 0.448 69.247 68.868 -0.115 0.000 0.881 704 T HN 0.024 nan 8.240 nan 0.000 0.461 705 V N -1.231 118.546 119.914 -0.229 0.000 3.430 705 V HA 0.205 4.326 4.120 0.001 0.000 0.211 705 V C 1.670 177.697 176.094 -0.110 0.000 1.173 705 V CA -0.294 61.880 62.300 -0.209 0.000 1.310 705 V CB -0.750 30.839 31.823 -0.390 0.000 1.361 705 V HN 0.453 nan 8.190 nan 0.000 0.512 706 W N 1.576 122.759 121.300 -0.195 0.000 2.289 706 W HA -0.220 4.440 4.660 0.001 0.000 0.331 706 W C 2.347 178.773 176.519 -0.155 0.000 1.283 706 W CA 3.266 60.594 57.345 -0.027 0.000 1.252 706 W CB -1.001 28.490 29.460 0.051 0.000 1.153 706 W HN 0.392 nan 8.180 nan 0.000 0.467 707 G N 0.239 108.855 108.800 -0.306 0.000 2.721 707 G HA2 -0.334 3.626 3.960 0.001 0.000 0.218 707 G HA3 -0.334 3.626 3.960 0.001 0.000 0.218 707 G C -0.681 174.029 174.900 -0.315 0.000 1.265 707 G CA 2.038 46.773 45.100 -0.609 0.000 0.796 707 G HN 0.235 nan 8.290 nan 0.000 0.620 708 P HA -0.093 nan 4.420 nan 0.000 0.217 708 P C 1.561 178.732 177.300 -0.215 0.000 1.151 708 P CA 1.644 64.618 63.100 -0.210 0.000 0.849 708 P CB -0.057 31.533 31.700 -0.184 0.000 0.787 709 E N -2.263 117.775 120.200 -0.271 0.000 2.358 709 E HA -0.122 4.228 4.350 0.001 0.000 0.195 709 E C 1.098 177.350 176.600 -0.579 0.000 1.010 709 E CA 0.519 56.689 56.400 -0.384 0.000 0.856 709 E CB -0.176 29.274 29.700 -0.417 0.000 0.795 709 E HN 0.489 nan 8.360 nan 0.000 0.504 710 H N -0.961 117.846 119.070 -0.439 0.000 2.505 710 H HA 0.203 4.759 4.556 0.001 0.000 0.286 710 H C -0.146 175.048 175.328 -0.223 0.000 1.072 710 H CA 0.380 56.170 56.048 -0.430 0.000 1.141 710 H CB 0.985 30.278 29.762 -0.782 0.000 1.550 710 H HN -0.063 nan 8.280 nan 0.000 0.547 711 T N -0.385 114.101 114.554 -0.113 0.000 3.087 711 T HA 0.101 4.452 4.350 0.001 0.000 0.351 711 T C -0.795 173.861 174.700 -0.073 0.000 1.520 711 T CA -0.556 61.509 62.100 -0.059 0.000 1.111 711 T CB 1.620 70.480 68.868 -0.014 0.000 1.353 711 T HN -0.011 nan 8.240 nan 0.000 0.481 712 D N 1.437 121.805 120.400 -0.053 0.000 2.431 712 D HA 0.200 4.840 4.640 0.001 0.000 0.213 712 D C -0.086 176.193 176.300 -0.034 0.000 1.130 712 D CA -0.166 53.803 54.000 -0.051 0.000 0.834 712 D CB 0.407 41.177 40.800 -0.050 0.000 0.985 712 D HN 0.513 nan 8.370 nan 0.000 0.504 713 D N 0.928 121.314 120.400 -0.024 0.000 2.368 713 D HA -0.025 4.615 4.640 0.001 0.000 0.268 713 D C -1.520 174.770 176.300 -0.017 0.000 1.298 713 D CA -1.419 52.574 54.000 -0.012 0.000 0.938 713 D CB 1.564 42.364 40.800 0.000 0.000 1.101 713 D HN 0.015 nan 8.370 nan 0.000 0.509 714 P HA -0.160 nan 4.420 nan 0.000 0.216 714 P C 0.776 178.067 177.300 -0.015 0.000 1.154 714 P CA 1.047 64.136 63.100 -0.018 0.000 0.865 714 P CB 0.352 32.043 31.700 -0.015 0.000 0.789 715 D N -1.024 119.372 120.400 -0.008 0.000 2.103 715 D HA -0.085 4.555 4.640 0.001 0.000 0.199 715 D C 2.040 178.338 176.300 -0.004 0.000 0.978 715 D CA 1.074 55.072 54.000 -0.003 0.000 0.829 715 D CB -0.783 40.020 40.800 0.003 0.000 0.981 715 D HN 0.007 nan 8.370 nan 0.000 0.464 716 V N 1.559 121.472 119.914 -0.001 0.000 2.392 716 V HA -0.218 3.902 4.120 0.001 0.000 0.249 716 V C 2.686 178.771 176.094 -0.015 0.000 1.059 716 V CA 1.140 63.441 62.300 0.002 0.000 1.051 716 V CB -0.557 31.274 31.823 0.013 0.000 0.658 716 V HN 0.159 nan 8.190 nan 0.000 0.455 717 L N -0.579 120.627 121.223 -0.029 0.000 2.093 717 L HA -0.150 4.190 4.340 0.001 0.000 0.208 717 L C 2.751 179.597 176.870 -0.039 0.000 1.085 717 L CA 1.674 56.486 54.840 -0.048 0.000 0.755 717 L CB -0.460 41.568 42.059 -0.052 0.000 0.904 717 L HN 0.251 nan 8.230 nan 0.000 0.435 718 R N 0.106 120.591 120.500 -0.026 0.000 2.062 718 R HA -0.182 4.159 4.340 0.001 0.000 0.229 718 R C 2.331 178.623 176.300 -0.014 0.000 1.128 718 R CA 1.300 57.389 56.100 -0.020 0.000 0.960 718 R CB -0.275 30.017 30.300 -0.013 0.000 0.855 718 R HN 0.158 nan 8.270 nan 0.000 0.432 719 L N 0.899 122.118 121.223 -0.007 0.000 2.013 719 L HA -0.183 4.158 4.340 0.001 0.000 0.212 719 L C 2.225 179.096 176.870 0.002 0.000 1.073 719 L CA 1.910 56.750 54.840 0.000 0.000 0.753 719 L CB -0.430 41.630 42.059 0.002 0.000 0.890 719 L HN 0.300 nan 8.230 nan 0.000 0.432 720 M N -0.853 118.743 119.600 -0.006 0.000 2.086 720 M HA -0.263 4.218 4.480 0.001 0.000 0.261 720 M C 2.384 178.668 176.300 -0.027 0.000 1.067 720 M CA 1.952 57.244 55.300 -0.013 0.000 1.116 720 M CB -0.205 32.358 32.600 -0.061 0.000 1.348 720 M HN 0.207 nan 8.290 nan 0.000 0.407 721 K N -0.320 120.058 120.400 -0.037 0.000 2.211 721 K HA -0.142 4.178 4.320 0.001 0.000 0.204 721 K C 1.622 178.208 176.600 -0.022 0.000 1.047 721 K CA 1.659 57.924 56.287 -0.036 0.000 0.935 721 K CB -0.049 32.428 32.500 -0.038 0.000 0.728 721 K HN 0.436 nan 8.250 nan 0.000 0.452 722 S N -0.147 115.546 115.700 -0.012 0.000 2.603 722 S HA 0.096 4.567 4.470 0.001 0.000 0.220 722 S C 0.477 175.080 174.600 0.006 0.000 0.967 722 S CA -0.240 57.958 58.200 -0.004 0.000 0.920 722 S CB -0.113 63.088 63.200 0.002 0.000 0.773 722 S HN 0.102 nan 8.310 nan 0.000 0.529 723 L N 1.895 123.124 121.223 0.010 0.000 2.287 723 L HA 0.534 4.874 4.340 0.001 0.000 0.287 723 L C -0.421 176.463 176.870 0.023 0.000 1.022 723 L CA -0.335 54.522 54.840 0.029 0.000 0.814 723 L CB 1.852 43.937 42.059 0.044 0.000 1.217 723 L HN 0.028 nan 8.230 nan 0.000 0.420 724 T N 2.741 117.313 114.554 0.029 0.000 2.863 724 T HA 0.333 4.684 4.350 0.001 0.000 0.285 724 T C 1.198 175.938 174.700 0.067 0.000 1.009 724 T CA -0.509 61.606 62.100 0.025 0.000 0.989 724 T CB 1.971 70.834 68.868 -0.007 0.000 1.004 724 T HN 0.599 nan 8.240 nan 0.000 0.455 725 I N 0.425 121.046 120.570 0.086 0.000 3.001 725 I HA -0.021 4.149 4.170 0.001 0.000 0.268 725 I C 1.554 177.746 176.117 0.126 0.000 1.267 725 I CA 1.041 62.443 61.300 0.170 0.000 1.472 725 I CB -0.205 37.905 38.000 0.182 0.000 1.089 725 I HN 0.451 nan 8.210 nan 0.000 0.468 726 Q N 0.901 120.725 119.800 0.040 0.000 2.424 726 Q HA 0.149 4.489 4.340 0.001 0.000 0.204 726 Q C 1.781 177.714 176.000 -0.112 0.000 0.933 726 Q CA 0.727 56.512 55.803 -0.029 0.000 0.929 726 Q CB 0.280 28.986 28.738 -0.053 0.000 1.037 726 Q HN 0.562 nan 8.270 nan 0.000 0.511 727 R N -1.411 119.031 120.500 -0.097 0.000 2.551 727 R HA 0.257 4.597 4.340 0.001 0.000 0.202 727 R C 0.818 177.039 176.300 -0.132 0.000 0.861 727 R CA 0.236 56.202 56.100 -0.223 0.000 1.018 727 R CB 0.522 30.697 30.300 -0.208 0.000 1.435 727 R HN 0.118 nan 8.270 nan 0.000 0.659 728 N N -0.188 118.537 118.700 0.042 0.000 2.205 728 N HA 0.013 4.753 4.740 0.001 0.000 0.201 728 N C -0.923 174.750 175.510 0.271 0.000 1.128 728 N CA 0.251 53.399 53.050 0.163 0.000 0.867 728 N CB 0.961 39.528 38.487 0.133 0.000 0.996 728 N HN 0.032 nan 8.380 nan 0.000 0.503 729 Y N 1.792 122.150 120.300 0.097 0.000 2.363 729 Y HA 0.337 4.887 4.550 0.001 0.000 0.325 729 Y C -0.855 175.117 175.900 0.119 0.000 0.984 729 Y CA -0.779 57.382 58.100 0.102 0.000 1.248 729 Y CB 0.768 39.285 38.460 0.095 0.000 1.116 729 Y HN -0.339 nan 8.280 nan 0.000 0.470 730 V N 5.629 125.353 119.914 -0.316 0.000 2.539 730 V HA 0.618 4.738 4.120 0.001 0.000 0.292 730 V C -0.137 175.638 176.094 -0.531 0.000 1.045 730 V CA -0.543 61.599 62.300 -0.265 0.000 0.945 730 V CB 0.954 32.660 31.823 -0.195 0.000 0.993 730 V HN 0.965 nan 8.190 nan 0.000 0.464 731 C N 3.122 122.314 119.300 -0.180 0.000 3.239 731 C HA 0.811 5.271 4.460 0.001 0.000 0.329 731 C C -1.087 174.019 174.990 0.193 0.000 1.252 731 C CA -0.782 58.233 59.018 -0.005 0.000 1.323 731 C CB 1.334 29.013 27.740 -0.102 0.000 1.663 731 C HN 0.948 nan 8.230 nan 0.000 0.487 732 Q N 1.504 121.437 119.800 0.220 0.000 2.275 732 Q HA 0.518 4.859 4.340 0.001 0.000 0.258 732 Q C 0.513 176.559 176.000 0.077 0.000 0.960 732 Q CA 0.750 56.625 55.803 0.120 0.000 0.801 732 Q CB 1.640 30.402 28.738 0.039 0.000 1.302 732 Q HN 2.469 nan 8.270 nan 0.000 0.433 733 G N 3.955 112.812 108.800 0.094 0.000 2.556 733 G HA2 -0.352 3.608 3.960 0.001 0.000 0.283 733 G HA3 -0.352 3.608 3.960 0.001 0.000 0.283 733 G C 0.129 175.068 174.900 0.065 0.000 1.177 733 G CA 0.485 45.642 45.100 0.095 0.000 0.978 733 G HN 0.876 nan 8.290 nan 0.000 0.554 734 D N 1.304 121.692 120.400 -0.020 0.000 2.342 734 D HA 0.281 4.921 4.640 0.001 0.000 0.221 734 D C 0.144 176.436 176.300 -0.014 0.000 1.101 734 D CA 0.476 54.407 54.000 -0.115 0.000 0.837 734 D CB 0.061 40.699 40.800 -0.270 0.000 0.938 734 D HN 0.356 nan 8.370 nan 0.000 0.508 735 D N -0.345 120.088 120.400 0.055 0.000 2.198 735 D HA 0.602 5.243 4.640 0.001 0.000 0.245 735 D C -0.138 176.299 176.300 0.228 0.000 1.079 735 D CA -0.191 53.885 54.000 0.126 0.000 0.854 735 D CB 1.538 42.372 40.800 0.057 0.000 1.148 735 D HN 0.191 nan 8.370 nan 0.000 0.456 736 G N 1.422 110.357 108.800 0.226 0.000 2.591 736 G HA2 0.534 4.494 3.960 0.001 0.000 0.306 736 G HA3 0.534 4.494 3.960 0.001 0.000 0.306 736 G C -1.747 173.174 174.900 0.035 0.000 1.334 736 G CA -0.565 44.575 45.100 0.068 0.000 0.981 736 G HN 0.406 nan 8.290 nan 0.000 0.491 737 L N 2.398 123.457 121.223 -0.274 0.000 2.377 737 L HA 0.674 5.014 4.340 0.001 0.000 0.270 737 L C -0.352 176.508 176.870 -0.016 0.000 0.991 737 L CA -0.939 53.806 54.840 -0.158 0.000 0.851 737 L CB 1.682 43.475 42.059 -0.443 0.000 1.218 737 L HN 0.513 nan 8.230 nan 0.000 0.420 738 M N 6.431 126.141 119.600 0.183 0.000 2.135 738 M HA 0.454 4.934 4.480 0.001 0.000 0.345 738 M C -1.160 175.234 176.300 0.158 0.000 1.340 738 M CA 0.076 55.531 55.300 0.259 0.000 1.162 738 M CB 0.106 32.835 32.600 0.215 0.000 1.570 738 M HN 0.443 nan 8.290 nan 0.000 0.454 739 I N 6.797 127.478 120.570 0.185 0.000 2.291 739 I HA 0.248 4.418 4.170 0.001 0.000 0.290 739 I C -0.768 175.447 176.117 0.164 0.000 1.050 739 I CA -0.515 60.895 61.300 0.183 0.000 1.245 739 I CB 0.380 38.567 38.000 0.312 0.000 1.405 739 I HN 0.532 nan 8.210 nan 0.000 0.478 740 I N 6.001 126.629 120.570 0.096 0.000 2.281 740 I HA 0.140 4.311 4.170 0.001 0.000 0.293 740 I C 0.158 176.308 176.117 0.055 0.000 1.085 740 I CA -0.212 61.130 61.300 0.070 0.000 1.257 740 I CB -0.157 37.863 38.000 0.033 0.000 1.430 740 I HN 0.392 nan 8.210 nan 0.000 0.489 741 D N 4.488 124.941 120.400 0.088 0.000 2.423 741 D HA 0.279 4.919 4.640 0.001 0.000 0.238 741 D C 0.641 176.959 176.300 0.029 0.000 1.142 741 D CA 0.359 54.401 54.000 0.070 0.000 0.884 741 D CB 0.876 41.762 40.800 0.142 0.000 1.199 741 D HN 0.616 nan 8.370 nan 0.000 0.438 742 G N 0.306 109.105 108.800 -0.003 0.000 2.522 742 G HA2 0.545 4.505 3.960 0.001 0.000 0.304 742 G HA3 0.545 4.505 3.960 0.001 0.000 0.304 742 G C -0.097 174.818 174.900 0.026 0.000 1.210 742 G CA -0.343 44.762 45.100 0.009 0.000 0.960 742 G HN 0.386 nan 8.290 nan 0.000 0.497 743 T N -1.459 113.116 114.554 0.035 0.000 2.718 743 T HA 0.417 4.767 4.350 0.001 0.000 0.267 743 T C 1.516 176.238 174.700 0.037 0.000 0.957 743 T CA -0.185 61.934 62.100 0.032 0.000 1.025 743 T CB 1.167 70.051 68.868 0.026 0.000 1.355 743 T HN 0.315 nan 8.240 nan 0.000 0.572 744 T N 1.415 115.986 114.554 0.028 0.000 3.014 744 T HA 0.140 4.490 4.350 0.001 0.000 0.263 744 T C 1.967 176.680 174.700 0.022 0.000 1.078 744 T CA 0.740 62.856 62.100 0.027 0.000 1.135 744 T CB -0.353 68.525 68.868 0.016 0.000 0.895 744 T HN 0.592 nan 8.240 nan 0.000 0.480 745 A N 0.788 123.618 122.820 0.017 0.000 2.239 745 A HA 0.532 4.852 4.320 0.001 0.000 0.209 745 A C 1.442 179.030 177.584 0.007 0.000 1.171 745 A CA 0.879 52.919 52.037 0.005 0.000 0.768 745 A CB -0.824 18.179 19.000 0.005 0.000 0.790 745 A HN 0.722 nan 8.150 nan 0.000 0.478 746 G N -0.234 108.590 108.800 0.040 0.000 2.428 746 G HA2 -0.091 3.869 3.960 0.001 0.000 0.202 746 G HA3 -0.091 3.869 3.960 0.001 0.000 0.202 746 G C -0.274 174.689 174.900 0.105 0.000 1.247 746 G CA -0.331 44.820 45.100 0.085 0.000 1.020 746 G HN 0.922 nan 8.290 nan 0.000 0.529 747 K N -0.526 119.957 120.400 0.138 0.000 2.090 747 K HA 0.725 5.046 4.320 0.001 0.000 0.250 747 K C 0.255 176.901 176.600 0.076 0.000 1.004 747 K CA -0.841 55.511 56.287 0.107 0.000 0.919 747 K CB 1.623 34.208 32.500 0.141 0.000 1.045 747 K HN 0.506 nan 8.250 nan 0.000 0.471 748 V N 1.920 121.872 119.914 0.065 0.000 2.740 748 V HA -0.099 4.022 4.120 0.001 0.000 0.303 748 V C 0.524 176.658 176.094 0.066 0.000 1.054 748 V CA -0.328 62.002 62.300 0.050 0.000 1.106 748 V CB 0.291 32.133 31.823 0.032 0.000 0.957 748 V HN 0.894 nan 8.190 nan 0.000 0.486 749 N N 3.393 122.125 118.700 0.053 0.000 2.294 749 N HA -0.100 4.640 4.740 0.001 0.000 0.263 749 N C 1.394 176.957 175.510 0.089 0.000 1.281 749 N CA 1.215 54.303 53.050 0.064 0.000 0.846 749 N CB 0.857 39.370 38.487 0.043 0.000 1.061 749 N HN 0.725 nan 8.380 nan 0.000 0.478 750 S N 2.748 118.532 115.700 0.139 0.000 2.383 750 S HA -0.224 4.246 4.470 0.001 0.000 0.229 750 S C 1.520 176.229 174.600 0.181 0.000 1.030 750 S CA 1.676 60.017 58.200 0.235 0.000 1.002 750 S CB -0.360 62.977 63.200 0.228 0.000 0.829 750 S HN 0.788 nan 8.310 nan 0.000 0.467 751 E N -0.577 119.691 120.200 0.112 0.000 2.150 751 E HA -0.096 4.254 4.350 0.001 0.000 0.193 751 E C 1.755 178.388 176.600 0.056 0.000 0.985 751 E CA 1.480 57.930 56.400 0.084 0.000 0.814 751 E CB -0.184 29.552 29.700 0.061 0.000 0.752 751 E HN 0.585 nan 8.360 nan 0.000 0.466 752 T N 0.871 115.449 114.554 0.040 0.000 2.857 752 T HA -0.052 4.298 4.350 0.001 0.000 0.266 752 T C 1.843 176.539 174.700 -0.007 0.000 1.048 752 T CA 0.875 62.987 62.100 0.019 0.000 1.139 752 T CB -0.076 68.800 68.868 0.015 0.000 0.874 752 T HN 0.161 nan 8.240 nan 0.000 0.455 753 I N 0.853 121.397 120.570 -0.044 0.000 2.202 753 I HA -0.170 4.000 4.170 0.001 0.000 0.242 753 I C 2.915 178.950 176.117 -0.138 0.000 1.091 753 I CA 0.996 62.196 61.300 -0.167 0.000 1.368 753 I CB -0.278 37.470 38.000 -0.420 0.000 1.058 753 I HN 0.104 nan 8.210 nan 0.000 0.410 754 Q N 0.735 120.516 119.800 -0.033 0.000 2.112 754 Q HA -0.214 4.127 4.340 0.001 0.000 0.206 754 Q C 1.979 177.999 176.000 0.033 0.000 0.987 754 Q CA 1.603 57.433 55.803 0.045 0.000 0.858 754 Q CB -0.594 28.215 28.738 0.119 0.000 0.905 754 Q HN 0.516 nan 8.270 nan 0.000 0.420 755 N N 0.971 119.692 118.700 0.036 0.000 2.084 755 N HA -0.153 4.588 4.740 0.001 0.000 0.190 755 N C 1.436 176.985 175.510 0.065 0.000 1.030 755 N CA 1.261 54.342 53.050 0.051 0.000 0.849 755 N CB -0.501 38.015 38.487 0.048 0.000 1.012 755 N HN 0.286 nan 8.380 nan 0.000 0.423 756 D N 1.317 121.746 120.400 0.049 0.000 2.103 756 D HA -0.131 4.509 4.640 0.001 0.000 0.190 756 D C 2.196 178.528 176.300 0.054 0.000 0.997 756 D CA 0.880 54.933 54.000 0.090 0.000 0.833 756 D CB -0.324 40.501 40.800 0.042 0.000 0.961 756 D HN 0.164 nan 8.370 nan 0.000 0.447 757 L N 0.381 121.583 121.223 -0.036 0.000 1.990 757 L HA -0.211 4.129 4.340 0.001 0.000 0.213 757 L C 2.573 179.409 176.870 -0.055 0.000 1.072 757 L CA 1.717 56.505 54.840 -0.088 0.000 0.755 757 L CB -0.694 41.325 42.059 -0.066 0.000 0.889 757 L HN 0.139 nan 8.230 nan 0.000 0.432 758 E N 0.086 120.295 120.200 0.015 0.000 2.209 758 E HA -0.223 4.127 4.350 0.001 0.000 0.196 758 E C 2.307 178.957 176.600 0.082 0.000 0.993 758 E CA 1.001 57.427 56.400 0.044 0.000 0.819 758 E CB -0.166 29.573 29.700 0.065 0.000 0.745 758 E HN 0.512 nan 8.360 nan 0.000 0.477 759 L N 0.421 121.733 121.223 0.149 0.000 2.109 759 L HA -0.116 4.224 4.340 0.001 0.000 0.207 759 L C 2.396 179.380 176.870 0.190 0.000 1.086 759 L CA 0.695 55.733 54.840 0.331 0.000 0.760 759 L CB -0.249 42.135 42.059 0.540 0.000 0.910 759 L HN 0.162 nan 8.230 nan 0.000 0.437 760 I N -1.034 119.421 120.570 -0.193 0.000 2.226 760 I HA -0.289 3.881 4.170 0.001 0.000 0.245 760 I C 2.785 178.703 176.117 -0.331 0.000 1.100 760 I CA 1.043 61.942 61.300 -0.669 0.000 1.374 760 I CB -0.211 37.219 38.000 -0.950 0.000 1.057 760 I HN 0.178 nan 8.210 nan 0.000 0.413 761 S N 0.714 116.315 115.700 -0.165 0.000 2.353 761 S HA -0.213 4.257 4.470 0.001 0.000 0.222 761 S C 2.004 176.591 174.600 -0.022 0.000 1.035 761 S CA 1.606 59.793 58.200 -0.021 0.000 1.025 761 S CB -0.071 63.132 63.200 0.005 0.000 0.902 761 S HN 0.317 nan 8.310 nan 0.000 0.440 762 K N -0.507 119.886 120.400 -0.012 0.000 2.097 762 K HA -0.139 4.182 4.320 0.001 0.000 0.206 762 K C 2.020 178.498 176.600 -0.203 0.000 1.049 762 K CA 1.583 57.860 56.287 -0.017 0.000 0.933 762 K CB -0.393 32.187 32.500 0.133 0.000 0.717 762 K HN 0.527 nan 8.250 nan 0.000 0.442 763 Y N 1.363 121.324 120.300 -0.566 0.000 2.165 763 Y HA -0.186 4.364 4.550 0.001 0.000 0.286 763 Y C 2.155 177.562 175.900 -0.821 0.000 1.155 763 Y CA 1.746 59.181 58.100 -1.109 0.000 1.164 763 Y CB -0.723 37.149 38.460 -0.980 0.000 0.978 763 Y HN 0.018 nan 8.280 nan 0.000 0.513 764 G N -0.311 108.113 108.800 -0.626 0.000 2.408 764 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 764 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 764 G C 1.428 175.701 174.900 -1.045 0.000 1.150 764 G CA 0.823 45.334 45.100 -0.982 0.000 0.776 764 G HN 0.529 nan 8.290 nan 0.000 0.542 765 E N 0.589 120.465 120.200 -0.541 0.000 2.219 765 E HA -0.133 4.217 4.350 0.001 0.000 0.198 765 E C 2.324 178.654 176.600 -0.451 0.000 0.998 765 E CA 0.985 57.165 56.400 -0.365 0.000 0.818 765 E CB -0.046 29.540 29.700 -0.190 0.000 0.741 765 E HN 0.546 nan 8.360 nan 0.000 0.477 766 E N -0.050 119.777 120.200 -0.621 0.000 2.153 766 E HA -0.168 4.183 4.350 0.001 0.000 0.194 766 E C 1.029 177.314 176.600 -0.526 0.000 0.988 766 E CA 0.987 57.107 56.400 -0.467 0.000 0.811 766 E CB -0.039 29.429 29.700 -0.386 0.000 0.746 766 E HN 0.473 nan 8.360 nan 0.000 0.466 767 F N -2.312 117.240 119.950 -0.663 0.000 2.791 767 F HA 0.579 5.107 4.527 0.001 0.000 0.316 767 F C 0.853 176.297 175.800 -0.594 0.000 1.134 767 F CA -0.369 56.999 58.000 -1.053 0.000 1.222 767 F CB 0.253 38.145 39.000 -1.845 0.000 1.034 767 F HN -0.071 nan 8.300 nan 0.000 0.516 768 G N -0.028 108.582 108.800 -0.316 0.000 2.212 768 G HA2 -0.292 3.668 3.960 0.001 0.000 0.255 768 G HA3 -0.292 3.668 3.960 0.001 0.000 0.255 768 G C -0.777 174.245 174.900 0.204 0.000 1.062 768 G CA -0.244 44.838 45.100 -0.029 0.000 0.815 768 G HN 0.330 nan 8.290 nan 0.000 0.497 769 W N 0.367 121.481 121.300 -0.311 0.000 2.475 769 W HA 0.586 5.246 4.660 0.000 0.000 0.320 769 W C 0.261 176.567 176.519 -0.355 0.000 1.022 769 W CA -1.876 55.286 57.345 -0.304 0.000 1.240 769 W CB 1.341 30.611 29.460 -0.315 0.000 1.328 769 W HN 0.122 nan 8.180 nan 0.000 0.439 770 K N 4.590 124.940 120.400 -0.084 0.000 2.231 770 K HA 0.220 4.540 4.320 0.001 0.000 0.275 770 K C -0.900 175.650 176.600 -0.082 0.000 1.105 770 K CA -0.440 55.808 56.287 -0.065 0.000 0.931 770 K CB 0.107 32.580 32.500 -0.044 0.000 1.296 770 K HN 0.338 nan 8.250 nan 0.000 0.446 771 Y N 2.114 122.411 120.300 -0.004 0.000 2.442 771 Y HA -0.030 4.520 4.550 0.001 0.000 0.330 771 Y C 0.716 176.607 175.900 -0.015 0.000 1.129 771 Y CA 0.136 58.235 58.100 -0.001 0.000 1.365 771 Y CB 0.703 39.172 38.460 0.015 0.000 1.233 771 Y HN 0.521 nan 8.280 nan 0.000 0.529 772 D N 5.445 125.935 120.400 0.151 0.000 2.499 772 D HA 0.201 4.842 4.640 0.001 0.000 0.225 772 D C -0.637 175.725 176.300 0.102 0.000 1.124 772 D CA -0.102 53.948 54.000 0.083 0.000 0.938 772 D CB -0.047 40.774 40.800 0.035 0.000 1.014 772 D HN 0.467 nan 8.370 nan 0.000 0.517 773 I N 1.999 122.623 120.570 0.091 0.000 2.365 773 I HA 0.384 4.554 4.170 0.001 0.000 0.291 773 I C 0.342 176.495 176.117 0.061 0.000 1.004 773 I CA -0.636 60.705 61.300 0.069 0.000 1.311 773 I CB 1.661 39.674 38.000 0.021 0.000 1.401 773 I HN 0.312 nan 8.210 nan 0.000 0.491 774 A N 6.618 129.482 122.820 0.074 0.000 2.335 774 A HA 0.528 4.848 4.320 0.001 0.000 0.304 774 A C -1.420 176.255 177.584 0.152 0.000 1.118 774 A CA -0.342 51.731 52.037 0.060 0.000 0.757 774 A CB 0.763 19.759 19.000 -0.006 0.000 1.188 774 A HN 0.591 nan 8.150 nan 0.000 0.460 775 Y N 3.202 123.495 120.300 -0.012 0.000 2.646 775 Y HA 0.454 5.004 4.550 0.001 0.000 0.334 775 Y C -0.453 175.456 175.900 0.015 0.000 1.004 775 Y CA -1.752 56.358 58.100 0.017 0.000 1.301 775 Y CB 1.158 39.631 38.460 0.023 0.000 1.093 775 Y HN 0.739 nan 8.280 nan 0.000 0.530 776 D N 1.221 121.569 120.400 -0.086 0.000 2.540 776 D HA 0.305 4.945 4.640 0.001 0.000 0.229 776 D C 1.476 177.752 176.300 -0.041 0.000 1.250 776 D CA 0.248 54.171 54.000 -0.127 0.000 0.817 776 D CB 0.440 41.185 40.800 -0.092 0.000 1.060 776 D HN 0.667 nan 8.370 nan 0.000 0.508 777 G N -0.700 108.090 108.800 -0.018 0.000 2.176 777 G HA2 -0.256 3.705 3.960 0.001 0.000 0.253 777 G HA3 -0.256 3.705 3.960 0.001 0.000 0.253 777 G C 0.384 175.401 174.900 0.195 0.000 0.979 777 G CA 0.476 45.640 45.100 0.107 0.000 0.641 777 G HN 0.492 nan 8.290 nan 0.000 0.530 778 T N 0.319 114.994 114.554 0.202 0.000 2.940 778 T HA 0.753 5.103 4.350 0.001 0.000 0.288 778 T C 0.063 174.913 174.700 0.251 0.000 1.033 778 T CA 0.455 62.706 62.100 0.251 0.000 1.033 778 T CB 1.768 70.833 68.868 0.328 0.000 1.079 778 T HN 1.353 nan 8.240 nan 0.000 0.496 779 A N 2.110 125.101 122.820 0.286 0.000 2.287 779 A HA 0.681 5.001 4.320 0.001 0.000 0.317 779 A C -0.410 177.376 177.584 0.338 0.000 1.220 779 A CA -0.535 51.667 52.037 0.275 0.000 0.835 779 A CB 0.620 19.759 19.000 0.232 0.000 1.180 779 A HN 0.784 nan 8.150 nan 0.000 0.500 780 E N 2.024 122.373 120.200 0.248 0.000 2.283 780 E HA 0.446 4.796 4.350 0.001 0.000 0.258 780 E C -2.317 174.389 176.600 0.178 0.000 0.893 780 E CA -0.372 56.114 56.400 0.143 0.000 0.798 780 E CB 1.311 31.070 29.700 0.098 0.000 1.242 780 E HN 0.626 nan 8.360 nan 0.000 0.414 781 Y N 5.059 125.356 120.300 -0.004 0.000 2.386 781 Y HA 0.290 4.841 4.550 0.001 0.000 0.334 781 Y C -0.115 175.748 175.900 -0.061 0.000 1.002 781 Y CA -0.992 57.097 58.100 -0.018 0.000 1.068 781 Y CB 0.819 39.287 38.460 0.013 0.000 1.203 781 Y HN 0.670 nan 8.280 nan 0.000 0.443 782 L N 6.352 127.301 121.223 -0.457 0.000 3.717 782 L HA -0.387 3.954 4.340 0.001 0.000 0.414 782 L C 0.334 177.037 176.870 -0.277 0.000 1.228 782 L CA 0.812 55.392 54.840 -0.432 0.000 0.918 782 L CB -1.037 40.678 42.059 -0.573 0.000 1.865 782 L HN 0.745 nan 8.230 nan 0.000 0.922 783 K N -1.480 118.736 120.400 -0.307 0.000 3.129 783 K HA -0.126 4.194 4.320 0.001 0.000 0.273 783 K C -0.220 176.073 176.600 -0.512 0.000 1.123 783 K CA 0.756 56.800 56.287 -0.406 0.000 0.800 783 K CB -0.937 31.457 32.500 -0.178 0.000 1.238 783 K HN 0.381 nan 8.250 nan 0.000 0.492 784 L N 1.185 122.109 121.223 -0.498 0.000 2.313 784 L HA 0.401 4.741 4.340 0.001 0.000 0.283 784 L C -0.189 176.299 176.870 -0.637 0.000 1.013 784 L CA -0.568 54.021 54.840 -0.418 0.000 0.816 784 L CB 1.017 43.024 42.059 -0.086 0.000 1.236 784 L HN 0.034 nan 8.230 nan 0.000 0.419 785 Y N 3.985 124.011 120.300 -0.457 0.000 2.331 785 Y HA 0.524 5.074 4.550 0.001 0.000 0.338 785 Y C -0.277 175.263 175.900 -0.600 0.000 0.992 785 Y CA -0.442 57.451 58.100 -0.344 0.000 1.121 785 Y CB 1.487 39.809 38.460 -0.230 0.000 1.184 785 Y HN 0.313 nan 8.280 nan 0.000 0.469 786 F N 3.538 123.584 119.950 0.160 0.000 2.577 786 F HA 0.713 5.241 4.527 0.001 0.000 0.318 786 F C -0.587 175.298 175.800 0.142 0.000 1.065 786 F CA -1.236 56.839 58.000 0.124 0.000 0.929 786 F CB 2.215 41.263 39.000 0.078 0.000 1.237 786 F HN 0.290 nan 8.300 nan 0.000 0.468 787 I N 2.065 122.849 120.570 0.358 0.000 2.702 787 I HA 0.315 4.485 4.170 0.001 0.000 0.287 787 I C -1.154 175.199 176.117 0.394 0.000 1.342 787 I CA -0.450 61.038 61.300 0.314 0.000 1.063 787 I CB 0.724 38.832 38.000 0.180 0.000 1.331 787 I HN 0.572 nan 8.210 nan 0.000 0.427 788 F N 6.356 126.306 119.950 -0.000 0.000 3.100 788 F HA -0.186 4.341 4.527 0.001 0.000 0.283 788 F C 1.400 177.138 175.800 -0.102 0.000 0.900 788 F CA 1.627 59.493 58.000 -0.222 0.000 1.010 788 F CB -1.773 36.764 39.000 -0.772 0.000 1.029 788 F HN 0.933 nan 8.300 nan 0.000 0.637 789 G N -1.595 107.298 108.800 0.156 0.000 2.199 789 G HA2 -0.327 3.634 3.960 0.001 0.000 0.254 789 G HA3 -0.327 3.634 3.960 0.001 0.000 0.254 789 G C 0.359 175.409 174.900 0.251 0.000 0.982 789 G CA 0.037 45.213 45.100 0.127 0.000 0.632 789 G HN 0.990 nan 8.290 nan 0.000 0.529 790 C N 1.847 121.350 119.300 0.338 0.000 2.285 790 C HA 0.747 5.207 4.460 0.001 0.000 0.335 790 C C 1.107 176.276 174.990 0.298 0.000 1.267 790 C CA -0.968 58.248 59.018 0.329 0.000 1.762 790 C CB 0.189 28.141 27.740 0.353 0.000 2.365 790 C HN 0.572 nan 8.230 nan 0.000 0.527 791 R N 5.751 126.392 120.500 0.235 0.000 2.340 791 R HA 0.435 4.776 4.340 0.001 0.000 0.300 791 R C -0.634 175.620 176.300 -0.078 0.000 1.069 791 R CA -0.287 55.786 56.100 -0.046 0.000 0.984 791 R CB 0.371 30.643 30.300 -0.047 0.000 1.003 791 R HN 0.702 nan 8.270 nan 0.000 0.459 792 I N 7.267 127.738 120.570 -0.165 0.000 2.337 792 I HA 0.312 4.483 4.170 0.001 0.000 0.285 792 I C -2.183 173.853 176.117 -0.135 0.000 1.041 792 I CA -3.172 58.056 61.300 -0.120 0.000 1.199 792 I CB 0.839 38.762 38.000 -0.129 0.000 1.370 792 I HN 0.483 nan 8.210 nan 0.000 0.470 793 P HA 0.084 nan 4.420 nan 0.000 0.268 793 P C -0.061 177.124 177.300 -0.191 0.000 1.205 793 P CA -0.055 62.970 63.100 -0.124 0.000 0.771 793 P CB 0.599 32.240 31.700 -0.097 0.000 0.858 794 N N 3.070 121.644 118.700 -0.210 0.000 2.609 794 N HA 0.105 4.845 4.740 0.001 0.000 0.234 794 N C 0.472 175.758 175.510 -0.373 0.000 1.001 794 N CA -0.178 52.686 53.050 -0.310 0.000 0.926 794 N CB -0.009 38.316 38.487 -0.270 0.000 1.130 794 N HN 0.078 nan 8.380 nan 0.000 0.510 795 L N 2.089 123.115 121.223 -0.329 0.000 2.141 795 L HA -0.105 4.235 4.340 0.001 0.000 0.209 795 L C 2.430 179.125 176.870 -0.291 0.000 1.094 795 L CA 1.280 55.936 54.840 -0.307 0.000 0.763 795 L CB -1.092 40.814 42.059 -0.255 0.000 0.908 795 L HN 0.641 nan 8.230 nan 0.000 0.437 796 S N -0.652 114.877 115.700 -0.285 0.000 2.440 796 S HA -0.211 4.260 4.470 0.001 0.000 0.238 796 S C 1.998 176.458 174.600 -0.234 0.000 1.010 796 S CA 0.841 58.899 58.200 -0.237 0.000 0.972 796 S CB -0.479 62.584 63.200 -0.228 0.000 0.774 796 S HN 0.448 nan 8.310 nan 0.000 0.501 797 R N 0.366 120.688 120.500 -0.298 0.000 2.313 797 R HA 0.146 4.487 4.340 0.001 0.000 0.199 797 R C 0.019 176.261 176.300 -0.098 0.000 0.958 797 R CA 0.484 56.431 56.100 -0.256 0.000 1.047 797 R CB -0.100 30.040 30.300 -0.266 0.000 0.955 797 R HN 0.700 nan 8.270 nan 0.000 0.481 798 H N 0.020 119.020 119.070 -0.117 0.000 2.386 798 H HA 0.231 4.787 4.556 0.001 0.000 0.232 798 H C -2.396 172.890 175.328 -0.070 0.000 1.416 798 H CA -2.209 53.796 56.048 -0.072 0.000 1.285 798 H CB 0.693 30.421 29.762 -0.056 0.000 1.625 798 H HN -0.084 nan 8.280 nan 0.000 0.521 799 P HA -0.069 nan 4.420 nan 0.000 0.261 799 P C 0.843 178.149 177.300 0.010 0.000 1.173 799 P CA 0.528 63.612 63.100 -0.025 0.000 0.760 799 P CB 0.937 32.606 31.700 -0.051 0.000 0.783 800 I N 2.995 123.547 120.570 -0.030 0.000 2.546 800 I HA -0.141 4.029 4.170 0.001 0.000 0.255 800 I C 1.733 177.719 176.117 -0.218 0.000 1.163 800 I CA 1.184 62.483 61.300 -0.001 0.000 1.457 800 I CB -0.117 37.928 38.000 0.075 0.000 1.092 800 I HN 0.250 nan 8.210 nan 0.000 0.434 801 V N -2.294 117.386 119.914 -0.389 0.000 3.621 801 V HA 0.412 4.532 4.120 0.001 0.000 0.263 801 V C 1.162 177.123 176.094 -0.221 0.000 1.272 801 V CA 0.013 61.921 62.300 -0.654 0.000 1.080 801 V CB -0.797 30.546 31.823 -0.799 0.000 0.816 801 V HN 0.161 nan 8.190 nan 0.000 0.451 802 G N 0.500 109.278 108.800 -0.038 0.000 2.569 802 G HA2 0.481 4.441 3.960 0.001 0.000 0.249 802 G HA3 0.481 4.441 3.960 0.001 0.000 0.249 802 G C -0.624 174.412 174.900 0.228 0.000 1.216 802 G CA -0.319 44.888 45.100 0.179 0.000 0.845 802 G HN 0.485 nan 8.290 nan 0.000 0.568 803 K N 0.115 120.577 120.400 0.104 0.000 2.570 803 K HA 0.132 4.453 4.320 0.001 0.000 0.256 803 K C -0.822 175.354 176.600 -0.707 0.000 0.939 803 K CA -0.603 55.541 56.287 -0.239 0.000 0.833 803 K CB 1.974 34.406 32.500 -0.115 0.000 1.318 803 K HN 0.720 nan 8.250 nan 0.000 0.433 804 E N 4.269 123.788 120.200 -1.134 0.000 2.344 804 E HA 0.107 4.457 4.350 0.001 0.000 0.270 804 E C -1.004 175.374 176.600 -0.371 0.000 1.021 804 E CA -0.010 55.816 56.400 -0.957 0.000 0.887 804 E CB 0.728 29.970 29.700 -0.764 0.000 0.997 804 E HN 0.392 nan 8.360 nan 0.000 0.429 805 R N 3.654 124.022 120.500 -0.219 0.000 2.680 805 R HA 0.270 4.610 4.340 0.001 0.000 0.278 805 R C -0.013 176.282 176.300 -0.008 0.000 1.582 805 R CA -0.150 55.908 56.100 -0.069 0.000 1.177 805 R CB 1.513 31.811 30.300 -0.003 0.000 1.232 805 R HN 0.658 nan 8.270 nan 0.000 0.528 806 A N 2.861 125.685 122.820 0.007 0.000 1.843 806 A HA -0.090 4.230 4.320 0.001 0.000 0.213 806 A C 0.796 178.483 177.584 0.172 0.000 1.202 806 A CA 0.924 52.996 52.037 0.058 0.000 0.607 806 A CB -0.413 18.616 19.000 0.047 0.000 0.847 806 A HN 0.725 nan 8.150 nan 0.000 0.445 807 N N -0.227 118.551 118.700 0.131 0.000 2.399 807 N HA 0.202 4.943 4.740 0.001 0.000 0.250 807 N C 0.373 175.964 175.510 0.135 0.000 1.272 807 N CA 0.531 53.662 53.050 0.134 0.000 0.928 807 N CB 0.395 38.912 38.487 0.050 0.000 1.158 807 N HN 0.023 nan 8.380 nan 0.000 0.463 808 S N -1.037 114.683 115.700 0.032 0.000 2.461 808 S HA -0.036 4.435 4.470 0.001 0.000 0.228 808 S C 0.274 174.861 174.600 -0.023 0.000 1.005 808 S CA 0.155 58.335 58.200 -0.033 0.000 0.942 808 S CB -0.661 62.413 63.200 -0.210 0.000 0.776 808 S HN 0.787 nan 8.310 nan 0.000 0.514 809 S N 2.166 117.855 115.700 -0.019 0.000 2.553 809 S HA 0.335 4.806 4.470 0.001 0.000 0.293 809 S C 0.326 174.923 174.600 -0.005 0.000 1.296 809 S CA -0.346 57.843 58.200 -0.018 0.000 1.046 809 S CB 0.251 63.442 63.200 -0.015 0.000 0.810 809 S HN 0.448 nan 8.310 nan 0.000 0.505 810 A N 1.841 124.655 122.820 -0.010 0.000 2.313 810 A HA 0.432 4.753 4.320 0.001 0.000 0.261 810 A C 0.726 178.320 177.584 0.017 0.000 1.090 810 A CA -0.582 51.452 52.037 -0.005 0.000 0.807 810 A CB -0.114 18.879 19.000 -0.011 0.000 1.055 810 A HN 0.965 nan 8.150 nan 0.000 0.492 811 E N 1.029 121.251 120.200 0.038 0.000 2.408 811 E HA 0.145 4.495 4.350 0.001 0.000 0.259 811 E C -0.673 175.957 176.600 0.051 0.000 1.110 811 E CA -0.233 56.205 56.400 0.065 0.000 0.929 811 E CB 0.364 30.143 29.700 0.132 0.000 0.971 811 E HN 0.587 nan 8.360 nan 0.000 0.438 812 E N 1.940 122.164 120.200 0.040 0.000 2.398 812 E HA 0.109 4.459 4.350 0.001 0.000 0.263 812 E C -2.070 174.567 176.600 0.062 0.000 1.046 812 E CA -1.459 54.959 56.400 0.030 0.000 0.908 812 E CB 0.155 29.855 29.700 -0.001 0.000 0.963 812 E HN 0.422 nan 8.360 nan 0.000 0.431 813 P HA -0.174 nan 4.420 nan 0.000 0.269 813 P C 0.002 177.408 177.300 0.176 0.000 1.211 813 P CA -0.113 63.067 63.100 0.134 0.000 0.781 813 P CB 0.364 32.135 31.700 0.118 0.000 0.877 814 W N 5.588 126.936 121.300 0.080 0.000 2.308 814 W HA -0.302 4.359 4.660 0.001 0.000 0.343 814 W C -1.091 175.485 176.519 0.096 0.000 1.408 814 W CA 2.665 60.074 57.345 0.106 0.000 1.237 814 W CB -2.681 26.862 29.460 0.137 0.000 1.057 814 W HN 0.504 nan 8.180 nan 0.000 0.487 815 P HA -0.392 nan 4.420 nan 0.000 0.230 815 P C 1.603 178.568 177.300 -0.558 0.000 1.150 815 P CA 3.758 66.291 63.100 -0.945 0.000 0.933 815 P CB -0.931 30.510 31.700 -0.433 0.000 0.785 816 A N -1.152 121.490 122.820 -0.297 0.000 1.971 816 A HA -0.271 4.050 4.320 0.001 0.000 0.222 816 A C 2.166 179.603 177.584 -0.245 0.000 1.182 816 A CA 2.228 54.135 52.037 -0.217 0.000 0.649 816 A CB -1.731 17.205 19.000 -0.107 0.000 0.818 816 A HN 0.265 nan 8.150 nan 0.000 0.458 817 I N -0.379 120.049 120.570 -0.237 0.000 2.567 817 I HA -0.164 4.006 4.170 0.001 0.000 0.257 817 I C 2.018 177.919 176.117 -0.359 0.000 1.184 817 I CA 0.974 62.116 61.300 -0.263 0.000 1.451 817 I CB -0.215 37.651 38.000 -0.224 0.000 1.089 817 I HN 0.362 nan 8.210 nan 0.000 0.441 818 L N -0.174 120.805 121.223 -0.406 0.000 2.093 818 L HA -0.183 4.157 4.340 0.001 0.000 0.208 818 L C 2.048 178.620 176.870 -0.497 0.000 1.085 818 L CA 1.216 55.791 54.840 -0.442 0.000 0.755 818 L CB -0.863 40.824 42.059 -0.620 0.000 0.904 818 L HN 0.237 nan 8.230 nan 0.000 0.435 819 D N -0.207 119.907 120.400 -0.477 0.000 2.144 819 D HA -0.184 4.456 4.640 0.001 0.000 0.200 819 D C 2.242 178.400 176.300 -0.236 0.000 0.978 819 D CA 1.081 54.846 54.000 -0.391 0.000 0.833 819 D CB -0.051 40.560 40.800 -0.315 0.000 0.961 819 D HN 0.404 nan 8.370 nan 0.000 0.470 820 Q N -0.136 119.536 119.800 -0.214 0.000 2.119 820 Q HA -0.088 4.252 4.340 0.001 0.000 0.201 820 Q C 2.186 178.111 176.000 -0.124 0.000 0.972 820 Q CA 0.589 56.308 55.803 -0.140 0.000 0.847 820 Q CB 0.188 28.843 28.738 -0.138 0.000 0.903 820 Q HN 0.247 nan 8.270 nan 0.000 0.433 821 I N 0.175 120.621 120.570 -0.206 0.000 2.252 821 I HA -0.226 3.944 4.170 0.001 0.000 0.245 821 I C 2.115 178.151 176.117 -0.135 0.000 1.102 821 I CA 1.250 62.442 61.300 -0.181 0.000 1.385 821 I CB -0.824 37.017 38.000 -0.264 0.000 1.064 821 I HN 0.353 nan 8.210 nan 0.000 0.414 822 M N 0.502 120.001 119.600 -0.169 0.000 2.159 822 M HA -0.101 4.379 4.480 0.001 0.000 0.263 822 M C 2.364 178.626 176.300 -0.064 0.000 1.063 822 M CA 1.633 56.831 55.300 -0.170 0.000 1.110 822 M CB -1.953 30.574 32.600 -0.121 0.000 1.374 822 M HN 0.270 nan 8.290 nan 0.000 0.411 823 G N -0.694 108.150 108.800 0.073 0.000 2.432 823 G HA2 -0.087 3.874 3.960 0.001 0.000 0.219 823 G HA3 -0.087 3.874 3.960 0.001 0.000 0.219 823 G C 1.685 176.664 174.900 0.131 0.000 1.135 823 G CA 0.768 45.978 45.100 0.184 0.000 0.767 823 G HN 0.357 nan 8.290 nan 0.000 0.550 824 V N 0.347 120.321 119.914 0.099 0.000 2.343 824 V HA -0.124 3.996 4.120 0.001 0.000 0.247 824 V C 2.287 178.583 176.094 0.337 0.000 1.051 824 V CA 1.752 64.174 62.300 0.202 0.000 1.036 824 V CB -0.560 31.395 31.823 0.219 0.000 0.654 824 V HN 0.400 nan 8.190 nan 0.000 0.451 825 F N 0.897 120.814 119.950 -0.056 0.000 2.075 825 F HA -0.178 4.350 4.527 0.001 0.000 0.297 825 F C 2.051 177.819 175.800 -0.054 0.000 1.113 825 F CA 1.637 59.544 58.000 -0.155 0.000 1.218 825 F CB -0.683 37.934 39.000 -0.639 0.000 0.984 825 F HN 0.175 nan 8.300 nan 0.000 0.472 826 F N 0.998 120.834 119.950 -0.190 0.000 2.161 826 F HA -0.212 4.316 4.527 0.001 0.000 0.300 826 F C 2.286 177.829 175.800 -0.429 0.000 1.089 826 F CA 1.419 59.128 58.000 -0.486 0.000 1.282 826 F CB -1.574 37.282 39.000 -0.240 0.000 1.010 826 F HN 0.041 nan 8.300 nan 0.000 0.485 827 N N 0.354 119.060 118.700 0.009 0.000 2.069 827 N HA -0.127 4.613 4.740 0.001 0.000 0.191 827 N C 2.302 177.727 175.510 -0.141 0.000 1.031 827 N CA 1.463 54.510 53.050 -0.005 0.000 0.852 827 N CB -1.164 37.325 38.487 0.002 0.000 1.018 827 N HN 0.333 nan 8.380 nan 0.000 0.423 828 G N 0.278 108.973 108.800 -0.175 0.000 2.448 828 G HA2 -0.152 3.808 3.960 0.001 0.000 0.219 828 G HA3 -0.152 3.808 3.960 0.001 0.000 0.219 828 G C 1.622 176.089 174.900 -0.721 0.000 1.127 828 G CA 0.795 45.501 45.100 -0.658 0.000 0.766 828 G HN 0.205 nan 8.290 nan 0.000 0.552 829 V N 0.346 119.725 119.914 -0.892 0.000 2.302 829 V HA -0.091 4.030 4.120 0.001 0.000 0.243 829 V C 2.456 178.093 176.094 -0.761 0.000 1.036 829 V CA 1.466 62.815 62.300 -1.584 0.000 1.020 829 V CB -0.651 30.040 31.823 -1.886 0.000 0.657 829 V HN 0.402 nan 8.190 nan 0.000 0.453 830 H N 0.098 118.950 119.070 -0.363 0.000 2.489 830 H HA -0.086 4.470 4.556 0.001 0.000 0.293 830 H C 1.597 176.872 175.328 -0.088 0.000 1.066 830 H CA 1.398 57.360 56.048 -0.143 0.000 1.305 830 H CB -0.144 29.570 29.762 -0.080 0.000 1.386 830 H HN 0.454 nan 8.280 nan 0.000 0.551 831 D N -0.464 119.911 120.400 -0.042 0.000 2.339 831 D HA 0.083 4.723 4.640 0.001 0.000 0.217 831 D C 1.346 177.613 176.300 -0.056 0.000 1.050 831 D CA 0.695 54.666 54.000 -0.047 0.000 0.856 831 D CB 0.265 41.011 40.800 -0.089 0.000 0.922 831 D HN 0.485 nan 8.370 nan 0.000 0.518 832 G N 1.431 110.228 108.800 -0.004 0.000 2.198 832 G HA2 -0.281 3.679 3.960 0.001 0.000 0.257 832 G HA3 -0.281 3.679 3.960 0.001 0.000 0.257 832 G C 0.403 175.380 174.900 0.129 0.000 1.042 832 G CA -0.003 45.188 45.100 0.150 0.000 0.791 832 G HN 0.298 nan 8.290 nan 0.000 0.502 833 L N -0.578 120.661 121.223 0.027 0.000 2.479 833 L HA 0.215 4.555 4.340 0.001 0.000 0.270 833 L C 1.057 178.030 176.870 0.171 0.000 1.236 833 L CA -0.540 54.267 54.840 -0.054 0.000 0.823 833 L CB 0.196 41.982 42.059 -0.455 0.000 1.098 833 L HN 0.132 nan 8.230 nan 0.000 0.500 834 Q N 2.236 122.086 119.800 0.084 0.000 2.244 834 Q HA -0.105 4.235 4.340 0.001 0.000 0.278 834 Q C 0.815 176.888 176.000 0.121 0.000 1.093 834 Q CA 0.184 56.023 55.803 0.059 0.000 0.916 834 Q CB 0.439 29.156 28.738 -0.035 0.000 1.159 834 Q HN 0.731 nan 8.270 nan 0.000 0.384 835 W N 4.817 125.976 121.300 -0.235 0.000 2.301 835 W HA -0.303 4.358 4.660 0.001 0.000 0.325 835 W C 0.831 177.334 176.519 -0.027 0.000 1.250 835 W CA 1.457 58.587 57.345 -0.360 0.000 1.261 835 W CB -0.785 28.115 29.460 -0.933 0.000 1.157 835 W HN 0.607 nan 8.180 nan 0.000 0.473 836 Q N 0.277 119.496 119.800 -0.969 0.000 2.061 836 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 836 Q C 2.460 178.283 176.000 -0.294 0.000 0.984 836 Q CA 2.099 57.242 55.803 -1.100 0.000 0.846 836 Q CB -0.313 27.241 28.738 -1.974 0.000 0.902 836 Q HN 0.190 nan 8.270 nan 0.000 0.421 837 R N 0.014 120.416 120.500 -0.165 0.000 2.096 837 R HA -0.148 4.192 4.340 0.001 0.000 0.235 837 R C 1.799 178.305 176.300 0.342 0.000 1.127 837 R CA 1.064 57.210 56.100 0.076 0.000 0.968 837 R CB -0.817 29.516 30.300 0.054 0.000 0.861 837 R HN 0.562 nan 8.270 nan 0.000 0.440 838 W N 1.319 122.730 121.300 0.185 0.000 2.407 838 W HA -0.071 4.589 4.660 0.001 0.000 0.305 838 W C 1.787 178.571 176.519 0.441 0.000 1.196 838 W CA 0.690 58.237 57.345 0.337 0.000 1.311 838 W CB -0.049 29.670 29.460 0.432 0.000 1.135 838 W HN -0.046 nan 8.180 nan 0.000 0.514 839 I N 0.476 121.355 120.570 0.515 0.000 2.226 839 I HA -0.336 3.835 4.170 0.001 0.000 0.245 839 I C 2.684 178.979 176.117 0.296 0.000 1.100 839 I CA 1.490 63.026 61.300 0.393 0.000 1.374 839 I CB -0.723 37.668 38.000 0.650 0.000 1.057 839 I HN -0.021 nan 8.210 nan 0.000 0.413 840 R N 0.344 121.081 120.500 0.395 0.000 2.081 840 R HA -0.252 4.088 4.340 0.001 0.000 0.235 840 R C 2.582 178.991 176.300 0.181 0.000 1.131 840 R CA 1.760 58.045 56.100 0.309 0.000 0.960 840 R CB -0.505 29.976 30.300 0.301 0.000 0.856 840 R HN 0.301 nan 8.270 nan 0.000 0.436 841 Y N 1.044 121.369 120.300 0.043 0.000 2.224 841 Y HA -0.132 4.419 4.550 0.001 0.000 0.289 841 Y C 2.237 178.030 175.900 -0.178 0.000 1.146 841 Y CA 1.941 60.020 58.100 -0.037 0.000 1.182 841 Y CB -0.202 38.266 38.460 0.013 0.000 0.983 841 Y HN 0.065 nan 8.280 nan 0.000 0.524 842 S N -0.689 114.777 115.700 -0.390 0.000 2.399 842 S HA -0.222 4.249 4.470 0.001 0.000 0.231 842 S C 1.581 175.849 174.600 -0.552 0.000 1.022 842 S CA 1.411 59.229 58.200 -0.637 0.000 0.983 842 S CB -0.669 62.037 63.200 -0.824 0.000 0.803 842 S HN 0.689 nan 8.310 nan 0.000 0.480 843 W N 1.599 122.683 121.300 -0.360 0.000 2.402 843 W HA 0.017 4.678 4.660 0.001 0.000 0.286 843 W C 2.622 179.070 176.519 -0.118 0.000 1.221 843 W CA 0.623 57.821 57.345 -0.246 0.000 1.257 843 W CB -0.279 29.073 29.460 -0.180 0.000 1.120 843 W HN 0.283 nan 8.180 nan 0.000 0.551 844 A N -0.183 122.661 122.820 0.040 0.000 1.855 844 A HA -0.175 4.146 4.320 0.001 0.000 0.215 844 A C 1.947 179.284 177.584 -0.413 0.000 1.191 844 A CA 1.212 53.242 52.037 -0.011 0.000 0.613 844 A CB -1.095 17.828 19.000 -0.129 0.000 0.829 844 A HN 0.242 nan 8.150 nan 0.000 0.442 845 L N -0.389 120.464 121.223 -0.617 0.000 2.012 845 L HA -0.262 4.078 4.340 0.001 0.000 0.210 845 L C 2.720 179.359 176.870 -0.386 0.000 1.073 845 L CA 2.010 56.493 54.840 -0.596 0.000 0.748 845 L CB -0.582 41.110 42.059 -0.612 0.000 0.891 845 L HN 0.557 nan 8.230 nan 0.000 0.431 846 C N -1.084 117.975 119.300 -0.403 0.000 2.442 846 C HA -0.232 4.228 4.460 0.001 0.000 0.279 846 C C 3.100 177.878 174.990 -0.354 0.000 1.237 846 C CA 0.895 59.649 59.018 -0.440 0.000 1.722 846 C CB -1.126 26.025 27.740 -0.982 0.000 2.056 846 C HN 0.802 nan 8.230 nan 0.000 0.469 847 C N 1.626 120.747 119.300 -0.297 0.000 2.391 847 C HA -0.154 4.306 4.460 0.001 0.000 0.276 847 C C 2.942 177.600 174.990 -0.552 0.000 1.217 847 C CA 1.529 60.251 59.018 -0.494 0.000 1.766 847 C CB -1.457 25.924 27.740 -0.598 0.000 2.046 847 C HN 0.632 nan 8.230 nan 0.000 0.475 848 A N -2.134 120.119 122.820 -0.946 0.000 2.248 848 A HA 0.122 4.442 4.320 0.001 0.000 0.210 848 A C 1.363 178.440 177.584 -0.845 0.000 1.174 848 A CA 1.088 52.311 52.037 -1.356 0.000 0.750 848 A CB -0.576 17.236 19.000 -1.980 0.000 0.780 848 A HN 0.679 nan 8.150 nan 0.000 0.478 849 F N -1.371 118.431 119.950 -0.247 0.000 2.798 849 F HA 0.092 4.620 4.527 0.001 0.000 0.328 849 F C 1.970 178.011 175.800 0.401 0.000 1.098 849 F CA 0.390 58.419 58.000 0.047 0.000 1.172 849 F CB 0.353 39.359 39.000 0.011 0.000 1.072 849 F HN 0.184 nan 8.300 nan 0.000 0.555 850 S N -0.449 115.543 115.700 0.487 0.000 2.562 850 S HA 0.072 4.542 4.470 0.001 0.000 0.221 850 S C 0.923 175.916 174.600 0.656 0.000 0.975 850 S CA -0.072 58.596 58.200 0.780 0.000 0.918 850 S CB 0.002 63.674 63.200 0.787 0.000 0.772 850 S HN 0.303 nan 8.310 nan 0.000 0.531 851 R N 0.730 121.384 120.500 0.256 0.000 2.534 851 R HA 0.535 4.875 4.340 0.001 0.000 0.301 851 R C -1.540 174.532 176.300 -0.380 0.000 0.961 851 R CA -0.466 55.624 56.100 -0.018 0.000 0.871 851 R CB 1.278 31.545 30.300 -0.055 0.000 1.170 851 R HN 0.232 nan 8.270 nan 0.000 0.446 852 Q N 2.582 121.991 119.800 -0.652 0.000 2.359 852 Q HA 0.294 4.634 4.340 0.001 0.000 0.274 852 Q C -1.557 174.294 176.000 -0.249 0.000 1.074 852 Q CA -0.810 54.524 55.803 -0.781 0.000 0.810 852 Q CB 1.628 29.270 28.738 -1.828 0.000 1.342 852 Q HN 0.589 nan 8.270 nan 0.000 0.427 853 R N 1.748 122.197 120.500 -0.085 0.000 2.389 853 R HA 0.474 4.814 4.340 0.001 0.000 0.295 853 R C -0.868 175.346 176.300 -0.143 0.000 1.075 853 R CA 0.338 56.424 56.100 -0.024 0.000 1.005 853 R CB 0.348 30.681 30.300 0.055 0.000 0.987 853 R HN 0.846 nan 8.270 nan 0.000 0.452 854 T N 1.903 116.321 114.554 -0.227 0.000 2.885 854 T HA 0.531 4.881 4.350 0.001 0.000 0.285 854 T C -0.118 174.496 174.700 -0.142 0.000 1.019 854 T CA -1.055 60.964 62.100 -0.136 0.000 1.010 854 T CB 1.731 70.544 68.868 -0.092 0.000 1.022 854 T HN 0.331 nan 8.240 nan 0.000 0.466 855 M N 2.789 122.346 119.600 -0.072 0.000 2.465 855 M HA 0.507 4.987 4.480 0.001 0.000 0.316 855 M C -0.559 175.720 176.300 -0.035 0.000 1.121 855 M CA -1.390 53.874 55.300 -0.060 0.000 0.934 855 M CB 1.794 34.371 32.600 -0.039 0.000 1.692 855 M HN 0.669 nan 8.290 nan 0.000 0.444 856 I N 0.770 121.318 120.570 -0.036 0.000 4.453 856 I HA 0.255 4.426 4.170 0.001 0.000 0.342 856 I C 0.581 176.687 176.117 -0.018 0.000 1.341 856 I CA 0.127 61.414 61.300 -0.021 0.000 1.217 856 I CB 0.550 38.538 38.000 -0.021 0.000 1.545 856 I HN 0.919 nan 8.210 nan 0.000 0.557 857 G N 2.498 111.284 108.800 -0.022 0.000 3.002 857 G HA2 -0.131 3.830 3.960 0.001 0.000 0.224 857 G HA3 -0.131 3.830 3.960 0.001 0.000 0.224 857 G C 0.391 175.278 174.900 -0.022 0.000 1.013 857 G CA 0.271 45.360 45.100 -0.018 0.000 1.200 857 G HN 0.438 nan 8.290 nan 0.000 0.589 858 E N -1.473 118.710 120.200 -0.028 0.000 3.916 858 E HA -0.221 4.129 4.350 0.001 0.000 0.331 858 E C 0.779 177.354 176.600 -0.040 0.000 0.729 858 E CA 1.327 57.708 56.400 -0.030 0.000 1.222 858 E CB -1.437 28.251 29.700 -0.021 0.000 1.633 858 E HN 0.906 nan 8.360 nan 0.000 0.437 859 S N 0.918 116.590 115.700 -0.047 0.000 3.812 859 S HA 0.251 4.722 4.470 0.001 0.000 0.195 859 S C -0.086 174.456 174.600 -0.097 0.000 1.460 859 S CA -0.095 58.071 58.200 -0.056 0.000 1.052 859 S CB 0.986 64.162 63.200 -0.041 0.000 1.385 859 S HN 0.227 nan 8.310 nan 0.000 0.490 860 V N 3.065 122.907 119.914 -0.120 0.000 2.377 860 V HA 0.302 4.422 4.120 0.001 0.000 0.254 860 V C 1.175 177.072 176.094 -0.328 0.000 1.060 860 V CA 0.060 62.230 62.300 -0.218 0.000 1.068 860 V CB -0.423 31.292 31.823 -0.180 0.000 1.113 860 V HN 0.693 nan 8.190 nan 0.000 0.484 861 G N 3.610 112.173 108.800 -0.394 0.000 2.990 861 G HA2 0.683 4.643 3.960 0.001 0.000 0.208 861 G HA3 0.683 4.643 3.960 0.001 0.000 0.208 861 G C -1.661 172.763 174.900 -0.794 0.000 1.334 861 G CA -0.507 44.357 45.100 -0.393 0.000 1.024 861 G HN 0.397 nan 8.290 nan 0.000 0.574 862 Y N -1.298 118.988 120.300 -0.023 0.000 2.441 862 Y HA 0.432 4.983 4.550 0.001 0.000 0.334 862 Y C -0.274 175.607 175.900 -0.033 0.000 1.061 862 Y CA -0.644 57.426 58.100 -0.050 0.000 1.032 862 Y CB 2.110 40.541 38.460 -0.048 0.000 1.266 862 Y HN 0.276 nan 8.280 nan 0.000 0.441 863 L N 3.626 124.894 121.223 0.074 0.000 2.276 863 L HA 0.521 4.861 4.340 0.001 0.000 0.286 863 L C -0.582 176.365 176.870 0.128 0.000 1.061 863 L CA -0.483 54.407 54.840 0.083 0.000 0.807 863 L CB 1.358 43.480 42.059 0.105 0.000 1.177 863 L HN 0.588 nan 8.230 nan 0.000 0.429 864 Q N 3.049 122.959 119.800 0.184 0.000 2.285 864 Q HA 0.346 4.686 4.340 0.001 0.000 0.269 864 Q C -1.753 174.427 176.000 0.300 0.000 1.030 864 Q CA -0.444 55.521 55.803 0.270 0.000 0.788 864 Q CB 1.444 30.308 28.738 0.211 0.000 1.266 864 Q HN 0.337 nan 8.270 nan 0.000 0.438 865 Y N 4.783 125.364 120.300 0.468 0.000 2.313 865 Y HA 0.445 4.996 4.550 0.001 0.000 0.332 865 Y C -1.891 174.283 175.900 0.457 0.000 1.071 865 Y CA -1.835 56.505 58.100 0.399 0.000 1.169 865 Y CB 1.309 39.993 38.460 0.372 0.000 1.192 865 Y HN 0.575 nan 8.280 nan 0.000 0.487 866 P HA 0.036 nan 4.420 nan 0.000 0.272 866 P C 0.661 178.050 177.300 0.148 0.000 1.230 866 P CA -0.217 63.102 63.100 0.364 0.000 0.788 866 P CB 0.611 32.546 31.700 0.392 0.000 0.949 867 M N -1.064 118.269 119.600 -0.444 0.000 2.202 867 M HA -0.144 4.336 4.480 0.001 0.000 0.262 867 M C 1.058 177.162 176.300 -0.326 0.000 1.063 867 M CA 1.946 56.666 55.300 -0.966 0.000 1.097 867 M CB -1.037 30.655 32.600 -1.514 0.000 1.382 867 M HN 0.235 nan 8.290 nan 0.000 0.413 868 W N 1.255 122.540 121.300 -0.026 0.000 2.392 868 W HA -0.063 4.597 4.660 0.001 0.000 0.279 868 W C 2.550 179.037 176.519 -0.053 0.000 1.225 868 W CA 0.915 58.267 57.345 0.012 0.000 1.233 868 W CB -0.695 28.788 29.460 0.038 0.000 1.122 868 W HN 0.272 nan 8.180 nan 0.000 0.561 869 S N 0.058 115.730 115.700 -0.045 0.000 2.402 869 S HA -0.142 4.328 4.470 0.001 0.000 0.229 869 S C 1.401 175.416 174.600 -0.976 0.000 1.021 869 S CA 1.118 58.940 58.200 -0.630 0.000 0.974 869 S CB -0.547 62.139 63.200 -0.856 0.000 0.800 869 S HN 0.199 nan 8.310 nan 0.000 0.484 870 F N 0.985 120.718 119.950 -0.363 0.000 2.259 870 F HA -0.027 4.501 4.527 0.001 0.000 0.298 870 F C 2.294 178.004 175.800 -0.150 0.000 1.088 870 F CA 0.377 58.273 58.000 -0.173 0.000 1.358 870 F CB -0.770 38.022 39.000 -0.348 0.000 1.040 870 F HN 0.003 nan 8.300 nan 0.000 0.505 871 V N -0.714 119.245 119.914 0.075 0.000 2.295 871 V HA -0.343 3.777 4.120 0.001 0.000 0.246 871 V C 2.101 178.297 176.094 0.171 0.000 1.049 871 V CA 1.939 64.306 62.300 0.111 0.000 1.024 871 V CB -0.914 31.016 31.823 0.179 0.000 0.648 871 V HN 0.366 nan 8.190 nan 0.000 0.447 872 Y N -0.341 119.966 120.300 0.012 0.000 2.151 872 Y HA -0.265 4.285 4.550 0.001 0.000 0.284 872 Y C 2.234 178.161 175.900 0.045 0.000 1.166 872 Y CA 1.957 60.048 58.100 -0.015 0.000 1.163 872 Y CB -0.204 38.114 38.460 -0.237 0.000 0.974 872 Y HN 0.277 nan 8.280 nan 0.000 0.511 873 W N -0.443 120.939 121.300 0.137 0.000 2.699 873 W HA 0.190 4.851 4.660 0.001 0.000 0.249 873 W C 1.864 178.470 176.519 0.144 0.000 1.280 873 W CA 1.505 58.895 57.345 0.075 0.000 1.345 873 W CB -0.675 28.779 29.460 -0.009 0.000 1.128 873 W HN 0.395 nan 8.180 nan 0.000 0.642 874 G N -1.012 107.965 108.800 0.296 0.000 2.551 874 G HA2 -0.193 3.767 3.960 0.001 0.000 0.186 874 G HA3 -0.193 3.767 3.960 0.001 0.000 0.186 874 G C -0.376 174.631 174.900 0.178 0.000 1.002 874 G CA -0.470 44.832 45.100 0.337 0.000 0.723 874 G HN 0.009 nan 8.290 nan 0.000 0.481 875 L N 4.386 125.522 121.223 -0.144 0.000 2.418 875 L HA 0.485 4.825 4.340 0.001 0.000 0.274 875 L C -1.507 175.257 176.870 -0.178 0.000 1.135 875 L CA -2.020 52.495 54.840 -0.542 0.000 0.870 875 L CB 0.188 41.623 42.059 -1.041 0.000 1.154 875 L HN 0.065 nan 8.230 nan 0.000 0.462 876 P HA 0.094 nan 4.420 nan 0.000 0.275 876 P C -0.589 176.872 177.300 0.268 0.000 1.228 876 P CA -0.410 62.800 63.100 0.183 0.000 0.786 876 P CB 0.820 32.756 31.700 0.394 0.000 0.927 877 L N 2.474 123.728 121.223 0.051 0.000 2.439 877 L HA 0.059 4.399 4.340 0.001 0.000 0.269 877 L C 1.983 178.897 176.870 0.074 0.000 1.179 877 L CA -0.362 54.463 54.840 -0.025 0.000 0.828 877 L CB 0.611 42.475 42.059 -0.325 0.000 1.106 877 L HN 0.200 nan 8.230 nan 0.000 0.467 878 V N 1.266 120.994 119.914 -0.310 0.000 2.599 878 V HA 0.036 4.157 4.120 0.001 0.000 0.245 878 V C 0.463 176.229 176.094 -0.548 0.000 1.046 878 V CA 0.964 62.869 62.300 -0.658 0.000 1.065 878 V CB -0.241 30.989 31.823 -0.989 0.000 0.703 878 V HN 0.792 nan 8.190 nan 0.000 0.464 879 K N -0.545 119.623 120.400 -0.387 0.000 2.578 879 K HA 0.574 4.894 4.320 0.001 0.000 0.263 879 K C -1.565 174.892 176.600 -0.238 0.000 0.973 879 K CA 0.132 56.260 56.287 -0.264 0.000 0.909 879 K CB 1.630 33.948 32.500 -0.303 0.000 1.326 879 K HN 0.183 nan 8.250 nan 0.000 0.440 880 A N 2.261 125.019 122.820 -0.103 0.000 2.594 880 A HA 0.739 5.059 4.320 0.001 0.000 0.291 880 A C -0.584 176.967 177.584 -0.055 0.000 1.105 880 A CA -0.548 51.364 52.037 -0.208 0.000 0.694 880 A CB 0.234 19.120 19.000 -0.190 0.000 1.291 880 A HN 0.805 nan 8.150 nan 0.000 0.410 881 F N -0.167 119.624 119.950 -0.264 0.000 3.106 881 F HA -0.217 4.311 4.527 0.001 0.000 0.281 881 F C 1.676 177.451 175.800 -0.041 0.000 0.869 881 F CA 2.022 59.799 58.000 -0.371 0.000 1.014 881 F CB -1.380 37.553 39.000 -0.113 0.000 1.131 881 F HN 2.149 nan 8.300 nan 0.000 0.546 882 G N -0.661 108.193 108.800 0.090 0.000 2.143 882 G HA2 -0.177 3.783 3.960 0.001 0.000 0.249 882 G HA3 -0.177 3.783 3.960 0.001 0.000 0.249 882 G C 0.517 175.499 174.900 0.136 0.000 0.981 882 G CA 0.560 45.760 45.100 0.166 0.000 0.665 882 G HN 1.292 nan 8.290 nan 0.000 0.528 883 S N -0.306 115.463 115.700 0.114 0.000 2.641 883 S HA 0.569 5.039 4.470 0.001 0.000 0.261 883 S C 0.122 174.732 174.600 0.016 0.000 1.257 883 S CA -0.198 58.049 58.200 0.078 0.000 0.983 883 S CB 1.403 64.645 63.200 0.070 0.000 0.990 883 S HN 0.197 nan 8.310 nan 0.000 0.572 884 D N 2.101 122.497 120.400 -0.006 0.000 2.354 884 D HA 0.422 5.062 4.640 0.001 0.000 0.247 884 D C -2.147 174.122 176.300 -0.051 0.000 1.138 884 D CA -1.152 52.847 54.000 -0.001 0.000 0.958 884 D CB 0.315 41.129 40.800 0.025 0.000 1.144 884 D HN 0.422 nan 8.370 nan 0.000 0.458 885 P HA 0.065 nan 4.420 nan 0.000 0.281 885 P C -0.507 176.824 177.300 0.052 0.000 1.249 885 P CA -0.382 62.657 63.100 -0.103 0.000 0.810 885 P CB 0.419 32.111 31.700 -0.014 0.000 1.008 886 W N 0.797 122.086 121.300 -0.018 0.000 5.770 886 W HA -0.190 4.471 4.660 0.001 0.000 0.389 886 W C 1.304 177.894 176.519 0.118 0.000 1.469 886 W CA 0.204 57.598 57.345 0.082 0.000 0.975 886 W CB -2.596 26.870 29.460 0.011 0.000 2.622 886 W HN 0.358 nan 8.180 nan 0.000 1.500 887 I N -4.415 116.136 120.570 -0.032 0.000 3.226 887 I HA 0.137 4.308 4.170 0.001 0.000 0.277 887 I C 0.889 176.892 176.117 -0.190 0.000 1.243 887 I CA 0.227 61.414 61.300 -0.187 0.000 1.459 887 I CB -0.236 37.489 38.000 -0.458 0.000 1.093 887 I HN -0.186 nan 8.210 nan 0.000 0.453 888 F N 2.048 122.144 119.950 0.244 0.000 2.410 888 F HA 0.489 5.017 4.527 0.001 0.000 0.349 888 F C 0.863 176.845 175.800 0.304 0.000 1.117 888 F CA -1.050 57.094 58.000 0.241 0.000 1.104 888 F CB 1.222 40.340 39.000 0.196 0.000 1.122 888 F HN -0.123 nan 8.300 nan 0.000 0.483 889 S N 3.253 119.193 115.700 0.400 0.000 2.632 889 S HA 0.210 4.681 4.470 0.001 0.000 0.271 889 S C 0.559 175.411 174.600 0.419 0.000 1.260 889 S CA -0.715 57.618 58.200 0.222 0.000 1.010 889 S CB 0.478 63.750 63.200 0.121 0.000 0.965 889 S HN 0.657 nan 8.310 nan 0.000 0.534 890 W N 2.921 124.323 121.300 0.171 0.000 3.077 890 W HA 0.221 4.882 4.660 0.001 0.000 0.245 890 W C -0.076 176.499 176.519 0.093 0.000 1.316 890 W CA -0.433 57.027 57.345 0.193 0.000 1.537 890 W CB -1.620 27.929 29.460 0.150 0.000 1.131 890 W HN 0.675 nan 8.180 nan 0.000 0.695 891 Y N 1.408 122.127 120.300 0.698 0.000 2.470 891 Y HA 0.218 4.769 4.550 0.001 0.000 0.284 891 Y C 1.615 177.872 175.900 0.594 0.000 1.188 891 Y CA -0.759 57.682 58.100 0.568 0.000 1.269 891 Y CB -0.962 37.715 38.460 0.362 0.000 1.094 891 Y HN -0.068 nan 8.280 nan 0.000 0.518 892 M N 2.316 122.271 119.600 0.592 0.000 2.252 892 M HA 0.165 4.645 4.480 0.001 0.000 0.348 892 M C -2.367 174.182 176.300 0.414 0.000 1.334 892 M CA -1.496 54.095 55.300 0.486 0.000 1.071 892 M CB 0.769 33.603 32.600 0.390 0.000 1.763 892 M HN -0.081 nan 8.290 nan 0.000 0.452 893 P HA 0.090 nan 4.420 nan 0.000 0.273 893 P C -0.783 176.563 177.300 0.078 0.000 1.258 893 P CA -0.220 62.932 63.100 0.085 0.000 0.802 893 P CB 0.446 32.166 31.700 0.032 0.000 1.040 894 T N -1.529 113.001 114.554 -0.040 0.000 2.948 894 T HA 0.563 4.913 4.350 0.001 0.000 0.285 894 T C 0.427 175.005 174.700 -0.202 0.000 1.019 894 T CA 0.394 62.455 62.100 -0.065 0.000 1.013 894 T CB 0.201 69.024 68.868 -0.075 0.000 1.117 894 T HN 0.716 nan 8.240 nan 0.000 0.533 895 G N 2.333 110.836 108.800 -0.496 0.000 2.574 895 G HA2 -0.291 3.669 3.960 0.001 0.000 0.295 895 G HA3 -0.291 3.669 3.960 0.001 0.000 0.295 895 G C 0.641 175.336 174.900 -0.341 0.000 1.300 895 G CA 0.753 45.333 45.100 -0.867 0.000 0.944 895 G HN 0.756 nan 8.290 nan 0.000 0.551 896 D N -0.595 119.766 120.400 -0.064 0.000 2.149 896 D HA -0.115 4.525 4.640 0.001 0.000 0.194 896 D C 2.547 178.929 176.300 0.138 0.000 1.001 896 D CA 1.650 55.731 54.000 0.135 0.000 0.849 896 D CB -0.251 40.685 40.800 0.227 0.000 0.939 896 D HN 0.360 nan 8.370 nan 0.000 0.449 897 L N 0.611 121.882 121.223 0.080 0.000 2.079 897 L HA -0.040 4.301 4.340 0.001 0.000 0.210 897 L C 2.148 179.090 176.870 0.121 0.000 1.081 897 L CA 2.108 56.983 54.840 0.058 0.000 0.752 897 L CB -0.776 41.272 42.059 -0.018 0.000 0.896 897 L HN 0.057 nan 8.230 nan 0.000 0.433 898 G N -1.271 107.570 108.800 0.068 0.000 2.403 898 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 898 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 898 G C 1.451 176.411 174.900 0.101 0.000 1.154 898 G CA 0.727 45.904 45.100 0.128 0.000 0.784 898 G HN 0.265 nan 8.290 nan 0.000 0.538 899 M N -0.285 119.307 119.600 -0.012 0.000 2.132 899 M HA 0.012 4.493 4.480 0.001 0.000 0.263 899 M C 2.335 178.299 176.300 -0.560 0.000 1.065 899 M CA 0.803 55.912 55.300 -0.318 0.000 1.122 899 M CB -1.185 31.254 32.600 -0.267 0.000 1.365 899 M HN 0.408 nan 8.290 nan 0.000 0.411 900 Y N 1.193 121.312 120.300 -0.302 0.000 2.165 900 Y HA -0.213 4.338 4.550 0.001 0.000 0.286 900 Y C 2.455 178.254 175.900 -0.168 0.000 1.155 900 Y CA 2.046 60.024 58.100 -0.203 0.000 1.164 900 Y CB -0.445 38.020 38.460 0.008 0.000 0.978 900 Y HN 0.188 nan 8.280 nan 0.000 0.513 901 S N 1.095 116.685 115.700 -0.182 0.000 2.343 901 S HA -0.214 4.256 4.470 0.001 0.000 0.219 901 S C 1.918 176.479 174.600 -0.066 0.000 1.033 901 S CA 1.600 59.716 58.200 -0.140 0.000 1.014 901 S CB -1.126 62.153 63.200 0.131 0.000 0.915 901 S HN 0.858 nan 8.310 nan 0.000 0.435 902 W N 1.747 122.989 121.300 -0.096 0.000 2.388 902 W HA 0.029 4.689 4.660 0.001 0.000 0.294 902 W C 1.577 178.075 176.519 -0.035 0.000 1.212 902 W CA 0.499 57.750 57.345 -0.157 0.000 1.271 902 W CB -0.922 28.124 29.460 -0.691 0.000 1.126 902 W HN 0.221 nan 8.180 nan 0.000 0.535 903 I N 1.588 121.771 120.570 -0.646 0.000 2.315 903 I HA -0.269 3.902 4.170 0.001 0.000 0.248 903 I C 2.764 178.754 176.117 -0.211 0.000 1.117 903 I CA 1.610 62.581 61.300 -0.547 0.000 1.404 903 I CB -0.564 36.947 38.000 -0.814 0.000 1.071 903 I HN -0.090 nan 8.210 nan 0.000 0.419 904 S N 0.689 116.197 115.700 -0.320 0.000 2.383 904 S HA -0.062 4.409 4.470 0.001 0.000 0.227 904 S C 1.932 176.515 174.600 -0.029 0.000 1.026 904 S CA 1.050 59.100 58.200 -0.250 0.000 0.981 904 S CB -0.203 62.684 63.200 -0.521 0.000 0.818 904 S HN 0.340 nan 8.310 nan 0.000 0.472 905 L N 1.109 122.379 121.223 0.079 0.000 2.362 905 L HA 0.072 4.412 4.340 0.001 0.000 0.219 905 L C 1.189 178.195 176.870 0.226 0.000 1.134 905 L CA 0.893 55.851 54.840 0.197 0.000 0.807 905 L CB -0.207 42.067 42.059 0.358 0.000 0.927 905 L HN 0.447 nan 8.230 nan 0.000 0.447 906 I N -5.262 115.456 120.570 0.247 0.000 3.336 906 I HA 0.152 4.322 4.170 0.001 0.000 0.323 906 I C 1.584 177.807 176.117 0.177 0.000 1.520 906 I CA -0.438 61.009 61.300 0.244 0.000 0.959 906 I CB -0.001 38.226 38.000 0.379 0.000 1.463 906 I HN -0.050 nan 8.210 nan 0.000 0.571 907 R N 2.635 123.199 120.500 0.107 0.000 2.103 907 R HA -0.086 4.254 4.340 0.001 0.000 0.234 907 R C -0.737 175.641 176.300 0.131 0.000 1.132 907 R CA 2.737 58.882 56.100 0.074 0.000 0.925 907 R CB -1.292 28.985 30.300 -0.038 0.000 0.842 907 R HN 0.270 nan 8.270 nan 0.000 0.430 908 P HA -0.201 nan 4.420 nan 0.000 0.215 908 P C 1.416 178.818 177.300 0.170 0.000 1.157 908 P CA 0.971 64.148 63.100 0.129 0.000 0.874 908 P CB -0.127 31.637 31.700 0.108 0.000 0.790 909 L N -1.370 119.962 121.223 0.182 0.000 1.990 909 L HA -0.210 4.130 4.340 0.001 0.000 0.213 909 L C 2.339 179.377 176.870 0.281 0.000 1.072 909 L CA 2.233 57.212 54.840 0.232 0.000 0.755 909 L CB -1.484 40.721 42.059 0.242 0.000 0.889 909 L HN 0.071 nan 8.230 nan 0.000 0.432 910 M N -1.545 118.154 119.600 0.166 0.000 2.065 910 M HA -0.219 4.262 4.480 0.001 0.000 0.259 910 M C 2.088 178.519 176.300 0.219 0.000 1.069 910 M CA 2.277 57.565 55.300 -0.019 0.000 1.110 910 M CB -0.841 31.586 32.600 -0.288 0.000 1.328 910 M HN 0.206 nan 8.290 nan 0.000 0.405 911 T N -0.038 114.665 114.554 0.247 0.000 2.635 911 T HA -0.221 4.129 4.350 0.001 0.000 0.267 911 T C 1.813 176.653 174.700 0.233 0.000 1.040 911 T CA 1.764 64.016 62.100 0.254 0.000 1.156 911 T CB -0.403 68.609 68.868 0.240 0.000 0.863 911 T HN 0.353 nan 8.240 nan 0.000 0.430 912 R N -0.759 119.879 120.500 0.231 0.000 2.083 912 R HA -0.146 4.194 4.340 0.001 0.000 0.237 912 R C 2.332 178.774 176.300 0.237 0.000 1.137 912 R CA 1.838 58.058 56.100 0.201 0.000 0.951 912 R CB -0.450 29.964 30.300 0.191 0.000 0.851 912 R HN 0.551 nan 8.270 nan 0.000 0.434 913 W N 0.996 122.408 121.300 0.186 0.000 2.335 913 W HA -0.221 4.439 4.660 0.001 0.000 0.311 913 W C 1.961 178.632 176.519 0.253 0.000 1.213 913 W CA 1.824 59.313 57.345 0.242 0.000 1.274 913 W CB -0.219 29.470 29.460 0.381 0.000 1.148 913 W HN 0.049 nan 8.180 nan 0.000 0.498 914 M N -0.350 119.548 119.600 0.497 0.000 2.065 914 M HA -0.288 4.193 4.480 0.001 0.000 0.259 914 M C 1.882 178.236 176.300 0.089 0.000 1.069 914 M CA 2.233 57.722 55.300 0.316 0.000 1.110 914 M CB -1.110 31.671 32.600 0.302 0.000 1.328 914 M HN -0.097 nan 8.290 nan 0.000 0.405 915 V N 0.405 120.366 119.914 0.080 0.000 2.287 915 V HA -0.282 3.839 4.120 0.001 0.000 0.248 915 V C 2.465 178.517 176.094 -0.070 0.000 1.053 915 V CA 2.047 64.360 62.300 0.021 0.000 1.027 915 V CB -1.250 30.601 31.823 0.046 0.000 0.646 915 V HN 0.583 nan 8.190 nan 0.000 0.447 916 A N -0.157 122.597 122.820 -0.110 0.000 2.225 916 A HA -0.143 4.178 4.320 0.001 0.000 0.215 916 A C 1.481 178.903 177.584 -0.271 0.000 1.164 916 A CA 1.726 53.666 52.037 -0.162 0.000 0.710 916 A CB -0.603 18.312 19.000 -0.141 0.000 0.780 916 A HN 0.665 nan 8.150 nan 0.000 0.473 917 N N -1.664 116.815 118.700 -0.369 0.000 2.338 917 N HA 0.384 5.125 4.740 0.001 0.000 0.251 917 N C 0.846 176.097 175.510 -0.432 0.000 1.199 917 N CA 0.811 53.607 53.050 -0.423 0.000 0.879 917 N CB 0.959 39.043 38.487 -0.671 0.000 1.159 917 N HN 0.397 nan 8.380 nan 0.000 0.514 918 G N -0.020 108.591 108.800 -0.316 0.000 2.253 918 G HA2 -0.338 3.622 3.960 0.001 0.000 0.251 918 G HA3 -0.338 3.622 3.960 0.001 0.000 0.251 918 G C -0.206 174.495 174.900 -0.332 0.000 0.998 918 G CA -0.178 44.718 45.100 -0.339 0.000 0.621 918 G HN 0.393 nan 8.290 nan 0.000 0.524 919 Y N 1.535 121.775 120.300 -0.100 0.000 2.724 919 Y HA 0.498 5.049 4.550 0.001 0.000 0.354 919 Y C 0.874 176.735 175.900 -0.064 0.000 1.270 919 Y CA -0.260 57.795 58.100 -0.075 0.000 1.902 919 Y CB 0.025 38.453 38.460 -0.054 0.000 1.981 919 Y HN 0.146 nan 8.280 nan 0.000 0.428 920 V N 0.356 120.285 119.914 0.025 0.000 2.881 920 V HA 0.726 4.847 4.120 0.001 0.000 0.316 920 V C 0.144 176.242 176.094 0.007 0.000 1.070 920 V CA -0.719 61.592 62.300 0.017 0.000 0.976 920 V CB 2.234 34.051 31.823 -0.010 0.000 1.038 920 V HN 0.455 nan 8.190 nan 0.000 0.446 921 T N -0.562 114.001 114.554 0.014 0.000 2.792 921 T HA 0.290 4.640 4.350 0.001 0.000 0.303 921 T C -0.327 174.383 174.700 0.015 0.000 1.310 921 T CA -0.406 61.697 62.100 0.005 0.000 1.007 921 T CB 2.082 70.947 68.868 -0.005 0.000 1.335 921 T HN 0.721 nan 8.240 nan 0.000 0.504 922 D N 0.667 121.074 120.400 0.011 0.000 2.327 922 D HA 0.106 4.746 4.640 0.001 0.000 0.205 922 D C 0.307 176.622 176.300 0.025 0.000 0.989 922 D CA 0.402 54.412 54.000 0.016 0.000 0.873 922 D CB 0.434 41.240 40.800 0.010 0.000 0.955 922 D HN 0.314 nan 8.370 nan 0.000 0.515 923 R N 0.605 121.123 120.500 0.029 0.000 2.267 923 R HA 0.202 4.542 4.340 0.001 0.000 0.319 923 R C -0.179 176.158 176.300 0.062 0.000 1.067 923 R CA -0.245 55.880 56.100 0.042 0.000 0.936 923 R CB 1.086 31.411 30.300 0.042 0.000 1.006 923 R HN -0.044 nan 8.270 nan 0.000 0.452 924 C N 3.929 123.263 119.300 0.057 0.000 2.442 924 C HA 0.231 4.691 4.460 0.001 0.000 0.362 924 C C 0.931 175.958 174.990 0.062 0.000 1.242 924 C CA -0.268 58.786 59.018 0.060 0.000 1.741 924 C CB -0.461 27.304 27.740 0.041 0.000 2.378 924 C HN 0.852 nan 8.230 nan 0.000 0.549 925 S N 4.388 120.147 115.700 0.098 0.000 2.565 925 S HA 0.157 4.627 4.470 0.001 0.000 0.276 925 S C 1.336 175.900 174.600 -0.059 0.000 1.326 925 S CA 0.057 58.306 58.200 0.082 0.000 1.045 925 S CB 1.063 64.391 63.200 0.212 0.000 0.918 925 S HN 0.878 nan 8.310 nan 0.000 0.505 926 T N 4.044 118.489 114.554 -0.182 0.000 2.833 926 T HA -0.066 4.285 4.350 0.001 0.000 0.269 926 T C 1.613 176.126 174.700 -0.312 0.000 1.054 926 T CA 1.481 63.352 62.100 -0.383 0.000 1.135 926 T CB -0.099 68.360 68.868 -0.682 0.000 0.869 926 T HN 0.510 nan 8.240 nan 0.000 0.466 927 V N -0.578 119.135 119.914 -0.334 0.000 2.581 927 V HA 0.208 4.328 4.120 0.001 0.000 0.240 927 V C 1.177 176.901 176.094 -0.615 0.000 1.054 927 V CA 0.858 62.836 62.300 -0.537 0.000 1.076 927 V CB -0.234 31.109 31.823 -0.801 0.000 0.748 927 V HN 0.359 nan 8.190 nan 0.000 0.474 928 F N 0.727 120.614 119.950 -0.106 0.000 2.647 928 F HA 0.611 5.139 4.527 0.001 0.000 0.300 928 F C 1.601 177.413 175.800 0.020 0.000 1.106 928 F CA 0.170 58.148 58.000 -0.036 0.000 1.313 928 F CB -0.248 38.727 39.000 -0.042 0.000 1.007 928 F HN 0.233 nan 8.300 nan 0.000 0.536 929 G N 1.683 110.551 108.800 0.113 0.000 2.611 929 G HA2 -0.414 3.546 3.960 0.001 0.000 0.301 929 G HA3 -0.414 3.546 3.960 0.001 0.000 0.301 929 G C 0.486 175.461 174.900 0.125 0.000 1.233 929 G CA 0.556 45.713 45.100 0.096 0.000 0.993 929 G HN 0.421 nan 8.290 nan 0.000 0.553 930 N N 2.147 120.911 118.700 0.107 0.000 2.466 930 N HA 0.546 5.286 4.740 0.001 0.000 0.251 930 N C 0.204 175.774 175.510 0.100 0.000 1.164 930 N CA 0.446 53.551 53.050 0.092 0.000 0.888 930 N CB 0.629 39.154 38.487 0.062 0.000 1.177 930 N HN 0.847 nan 8.380 nan 0.000 0.498 931 A N 0.149 123.056 122.820 0.145 0.000 2.305 931 A HA 0.234 4.554 4.320 0.001 0.000 0.322 931 A C -0.161 177.466 177.584 0.072 0.000 1.187 931 A CA -0.622 51.488 52.037 0.122 0.000 0.825 931 A CB 0.652 19.739 19.000 0.144 0.000 1.164 931 A HN 0.152 nan 8.150 nan 0.000 0.498 932 D N 2.417 122.820 120.400 0.005 0.000 2.801 932 D HA 0.054 4.695 4.640 0.001 0.000 0.232 932 D C 1.083 177.176 176.300 -0.346 0.000 1.128 932 D CA -0.146 53.779 54.000 -0.125 0.000 1.003 932 D CB -0.441 40.360 40.800 0.001 0.000 1.110 932 D HN 0.593 nan 8.370 nan 0.000 0.477 933 Y N 0.484 120.521 120.300 -0.438 0.000 2.241 933 Y HA -0.169 4.381 4.550 0.001 0.000 0.286 933 Y C 1.979 177.287 175.900 -0.987 0.000 1.166 933 Y CA 1.048 58.524 58.100 -1.039 0.000 1.203 933 Y CB -0.452 37.222 38.460 -1.310 0.000 0.977 933 Y HN -0.004 nan 8.280 nan 0.000 0.529 934 R N 0.354 120.113 120.500 -1.234 0.000 2.073 934 R HA -0.135 4.205 4.340 0.001 0.000 0.234 934 R C 2.560 178.694 176.300 -0.278 0.000 1.134 934 R CA 1.735 57.489 56.100 -0.575 0.000 0.952 934 R CB -0.355 29.647 30.300 -0.496 0.000 0.850 934 R HN 0.411 nan 8.270 nan 0.000 0.433 935 R N 0.160 120.501 120.500 -0.265 0.000 2.115 935 R HA -0.107 4.233 4.340 0.001 0.000 0.226 935 R C 2.409 178.630 176.300 -0.131 0.000 1.100 935 R CA 1.257 57.314 56.100 -0.072 0.000 0.980 935 R CB -0.367 29.971 30.300 0.064 0.000 0.875 935 R HN 0.277 nan 8.270 nan 0.000 0.445 936 C N 0.347 119.382 119.300 -0.441 0.000 2.462 936 C HA -0.050 4.410 4.460 0.001 0.000 0.278 936 C C 2.335 177.170 174.990 -0.258 0.000 1.253 936 C CA 0.370 58.954 59.018 -0.724 0.000 1.713 936 C CB -1.180 26.052 27.740 -0.848 0.000 2.049 936 C HN 0.552 nan 8.230 nan 0.000 0.477 937 F N 1.637 121.284 119.950 -0.506 0.000 2.408 937 F HA -0.028 4.499 4.527 0.001 0.000 0.300 937 F C 2.389 177.932 175.800 -0.428 0.000 1.090 937 F CA 0.883 58.472 58.000 -0.685 0.000 1.427 937 F CB -1.358 36.791 39.000 -1.418 0.000 1.070 937 F HN 0.439 nan 8.300 nan 0.000 0.549 938 N N 0.138 118.844 118.700 0.010 0.000 2.251 938 N HA -0.097 4.644 4.740 0.001 0.000 0.181 938 N C 1.742 177.345 175.510 0.155 0.000 1.019 938 N CA 0.698 53.863 53.050 0.191 0.000 0.862 938 N CB -0.079 38.543 38.487 0.225 0.000 0.992 938 N HN 0.376 nan 8.380 nan 0.000 0.429 939 E N 0.763 121.032 120.200 0.116 0.000 2.152 939 E HA -0.023 4.328 4.350 0.001 0.000 0.192 939 E C 1.600 178.306 176.600 0.177 0.000 0.983 939 E CA 0.517 57.014 56.400 0.162 0.000 0.818 939 E CB 0.097 29.930 29.700 0.222 0.000 0.758 939 E HN 0.333 nan 8.360 nan 0.000 0.467 940 L N 0.285 121.589 121.223 0.134 0.000 2.558 940 L HA 0.044 4.384 4.340 0.001 0.000 0.225 940 L C 0.446 177.476 176.870 0.268 0.000 1.128 940 L CA 0.144 55.104 54.840 0.201 0.000 0.868 940 L CB 0.050 42.180 42.059 0.119 0.000 1.006 940 L HN -0.031 nan 8.230 nan 0.000 0.454 941 K N -0.461 120.048 120.400 0.183 0.000 3.339 941 K HA -0.216 4.104 4.320 0.001 0.000 0.299 941 K C 0.999 177.700 176.600 0.167 0.000 1.270 941 K CA 0.600 57.036 56.287 0.249 0.000 0.875 941 K CB -1.936 30.771 32.500 0.344 0.000 1.298 941 K HN 0.337 nan 8.250 nan 0.000 0.485 942 L N -0.458 120.615 121.223 -0.250 0.000 2.072 942 L HA -0.120 4.220 4.340 0.001 0.000 0.205 942 L C 2.164 178.955 176.870 -0.131 0.000 1.079 942 L CA 1.281 55.723 54.840 -0.664 0.000 0.752 942 L CB -0.142 41.178 42.059 -1.230 0.000 0.906 942 L HN 0.198 nan 8.230 nan 0.000 0.436 943 Y N 0.267 120.535 120.300 -0.055 0.000 2.163 943 Y HA -0.232 4.318 4.550 0.001 0.000 0.288 943 Y C 2.720 178.667 175.900 0.078 0.000 1.136 943 Y CA 1.117 59.216 58.100 -0.001 0.000 1.147 943 Y CB -0.818 37.743 38.460 0.169 0.000 0.987 943 Y HN 0.271 nan 8.280 nan 0.000 0.509 944 Q N -0.430 119.598 119.800 0.380 0.000 2.002 944 Q HA -0.115 4.225 4.340 0.001 0.000 0.204 944 Q C 2.703 178.836 176.000 0.221 0.000 0.988 944 Q CA 1.805 57.815 55.803 0.345 0.000 0.843 944 Q CB -1.264 27.686 28.738 0.353 0.000 0.908 944 Q HN 0.492 nan 8.270 nan 0.000 0.420 945 G N -0.555 108.387 108.800 0.237 0.000 2.440 945 G HA2 -0.335 3.625 3.960 0.001 0.000 0.218 945 G HA3 -0.335 3.625 3.960 0.001 0.000 0.218 945 G C 1.337 176.248 174.900 0.019 0.000 1.154 945 G CA 1.012 46.226 45.100 0.190 0.000 0.767 945 G HN 0.429 nan 8.290 nan 0.000 0.552 946 Y N 0.480 120.702 120.300 -0.131 0.000 2.165 946 Y HA -0.172 4.378 4.550 0.001 0.000 0.286 946 Y C 2.457 177.957 175.900 -0.666 0.000 1.155 946 Y CA 1.552 59.423 58.100 -0.383 0.000 1.164 946 Y CB -0.278 38.005 38.460 -0.294 0.000 0.978 946 Y HN 0.265 nan 8.280 nan 0.000 0.513 947 Y N -1.027 119.064 120.300 -0.347 0.000 2.365 947 Y HA -0.092 4.458 4.550 0.001 0.000 0.293 947 Y C 2.503 178.228 175.900 -0.292 0.000 1.119 947 Y CA 1.142 58.973 58.100 -0.448 0.000 1.203 947 Y CB -0.499 37.706 38.460 -0.424 0.000 1.026 947 Y HN 0.108 nan 8.280 nan 0.000 0.549 948 M N -0.808 118.773 119.600 -0.031 0.000 2.229 948 M HA -0.159 4.321 4.480 0.001 0.000 0.264 948 M C 2.376 178.718 176.300 0.071 0.000 1.063 948 M CA 1.431 56.755 55.300 0.039 0.000 1.114 948 M CB -0.357 32.270 32.600 0.045 0.000 1.387 948 M HN 0.311 nan 8.290 nan 0.000 0.420 949 A N 0.204 122.879 122.820 -0.242 0.000 1.972 949 A HA -0.173 4.147 4.320 0.001 0.000 0.219 949 A C 1.833 179.359 177.584 -0.097 0.000 1.169 949 A CA 1.275 53.055 52.037 -0.429 0.000 0.635 949 A CB -0.529 17.842 19.000 -1.048 0.000 0.810 949 A HN 0.596 nan 8.150 nan 0.000 0.446 950 Q N -0.554 119.066 119.800 -0.301 0.000 2.322 950 Q HA 0.304 4.644 4.340 0.001 0.000 0.203 950 Q C -0.504 175.509 176.000 0.022 0.000 0.923 950 Q CA -0.119 55.607 55.803 -0.128 0.000 0.949 950 Q CB -0.012 28.557 28.738 -0.283 0.000 1.039 950 Q HN 0.554 nan 8.270 nan 0.000 0.496 951 L N 1.296 122.566 121.223 0.078 0.000 2.334 951 L HA 0.416 4.756 4.340 0.001 0.000 0.275 951 L C -2.161 174.777 176.870 0.112 0.000 1.036 951 L CA -2.497 52.398 54.840 0.092 0.000 0.807 951 L CB 0.864 42.979 42.059 0.093 0.000 1.231 951 L HN -0.172 nan 8.230 nan 0.000 0.438 952 P HA 0.008 nan 4.420 nan 0.000 0.261 952 P C -0.364 176.964 177.300 0.047 0.000 1.173 952 P CA 0.286 63.415 63.100 0.049 0.000 0.760 952 P CB 0.389 32.110 31.700 0.036 0.000 0.783 953 R N 2.255 122.756 120.500 0.001 0.000 2.515 953 R HA 0.172 4.512 4.340 0.001 0.000 0.294 953 R C 0.201 176.464 176.300 -0.061 0.000 1.021 953 R CA -0.053 56.019 56.100 -0.047 0.000 1.081 953 R CB -0.317 29.893 30.300 -0.149 0.000 1.263 953 R HN 0.585 nan 8.270 nan 0.000 0.557 954 N N -1.335 117.352 118.700 -0.021 0.000 2.504 954 N HA 0.250 4.990 4.740 0.001 0.000 0.268 954 N C -3.267 172.248 175.510 0.007 0.000 1.184 954 N CA -2.056 50.986 53.050 -0.012 0.000 0.875 954 N CB 1.305 39.775 38.487 -0.028 0.000 1.630 954 N HN -0.309 nan 8.380 nan 0.000 0.486 955 P HA 0.065 nan 4.420 nan 0.000 0.265 955 P C -0.476 176.828 177.300 0.007 0.000 1.187 955 P CA 0.234 63.345 63.100 0.018 0.000 0.766 955 P CB 0.332 32.043 31.700 0.018 0.000 0.820 956 K N 1.631 122.037 120.400 0.010 0.000 2.159 956 K HA 0.425 4.746 4.320 0.001 0.000 0.266 956 K C 0.001 176.600 176.600 -0.003 0.000 0.975 956 K CA -0.774 55.516 56.287 0.004 0.000 0.865 956 K CB 1.501 34.009 32.500 0.013 0.000 1.087 956 K HN -0.017 nan 8.250 nan 0.000 0.446 957 K N 0.667 121.058 120.400 -0.016 0.000 2.352 957 K HA 0.018 4.338 4.320 0.001 0.000 0.194 957 K C 0.205 176.794 176.600 -0.019 0.000 1.038 957 K CA 0.251 56.522 56.287 -0.027 0.000 1.023 957 K CB 0.462 32.929 32.500 -0.054 0.000 0.840 957 K HN 0.814 nan 8.250 nan 0.000 0.519 958 S N -0.124 115.573 115.700 -0.006 0.000 2.566 958 S HA 0.310 4.780 4.470 0.001 0.000 0.280 958 S C 1.333 175.951 174.600 0.030 0.000 1.343 958 S CA 0.302 58.516 58.200 0.023 0.000 1.036 958 S CB 0.624 63.849 63.200 0.041 0.000 0.866 958 S HN 0.555 nan 8.310 nan 0.000 0.526 959 G N 1.475 110.304 108.800 0.049 0.000 2.175 959 G HA2 -0.235 3.725 3.960 0.001 0.000 0.244 959 G HA3 -0.235 3.725 3.960 0.001 0.000 0.244 959 G C 0.141 175.060 174.900 0.031 0.000 0.982 959 G CA 0.046 45.170 45.100 0.039 0.000 0.641 959 G HN 0.877 nan 8.290 nan 0.000 0.527 960 R N 0.746 121.264 120.500 0.029 0.000 2.543 960 R HA 0.535 4.875 4.340 0.001 0.000 0.277 960 R C 0.991 177.310 176.300 0.031 0.000 1.074 960 R CA 0.245 56.356 56.100 0.019 0.000 1.076 960 R CB 0.615 30.917 30.300 0.003 0.000 0.993 960 R HN 0.572 nan 8.270 nan 0.000 0.459 961 A N 2.034 124.868 122.820 0.023 0.000 2.537 961 A HA 0.310 4.631 4.320 0.001 0.000 0.260 961 A C -0.099 177.505 177.584 0.033 0.000 1.082 961 A CA 0.194 52.246 52.037 0.025 0.000 0.765 961 A CB 0.028 19.038 19.000 0.018 0.000 1.019 961 A HN 0.725 nan 8.150 nan 0.000 0.507 962 A N 3.623 126.467 122.820 0.040 0.000 2.310 962 A HA 0.590 4.911 4.320 0.001 0.000 0.304 962 A C 0.456 178.057 177.584 0.029 0.000 1.231 962 A CA -0.127 51.938 52.037 0.046 0.000 0.799 962 A CB 0.334 19.381 19.000 0.077 0.000 1.162 962 A HN 1.671 nan 8.150 nan 0.000 0.486 963 S N 3.278 118.997 115.700 0.031 0.000 2.611 963 S HA 0.012 4.482 4.470 0.001 0.000 0.317 963 S C 1.448 176.061 174.600 0.023 0.000 1.208 963 S CA -0.249 57.968 58.200 0.028 0.000 1.217 963 S CB 0.368 63.589 63.200 0.035 0.000 1.085 963 S HN 0.802 nan 8.310 nan 0.000 0.529 964 R N 2.696 123.202 120.500 0.010 0.000 2.270 964 R HA -0.324 4.016 4.340 0.001 0.000 0.260 964 R C 1.788 178.091 176.300 0.005 0.000 1.127 964 R CA 2.645 58.744 56.100 -0.002 0.000 0.969 964 R CB -0.859 29.441 30.300 -0.000 0.000 0.918 964 R HN 0.910 nan 8.270 nan 0.000 0.455 965 E N -0.609 119.605 120.200 0.022 0.000 2.058 965 E HA -0.152 4.198 4.350 0.001 0.000 0.194 965 E C 1.937 178.577 176.600 0.067 0.000 0.997 965 E CA 1.543 57.965 56.400 0.036 0.000 0.801 965 E CB -0.107 29.615 29.700 0.037 0.000 0.746 965 E HN 0.274 nan 8.360 nan 0.000 0.450 966 V N 1.090 121.058 119.914 0.089 0.000 2.719 966 V HA -0.109 4.011 4.120 0.001 0.000 0.252 966 V C 2.421 178.600 176.094 0.142 0.000 1.065 966 V CA 1.230 63.631 62.300 0.168 0.000 1.086 966 V CB -0.416 31.520 31.823 0.188 0.000 0.700 966 V HN 0.233 nan 8.190 nan 0.000 0.467 967 R N 0.347 120.872 120.500 0.041 0.000 2.096 967 R HA -0.141 4.200 4.340 0.001 0.000 0.235 967 R C 2.010 178.264 176.300 -0.077 0.000 1.127 967 R CA 2.133 58.192 56.100 -0.068 0.000 0.968 967 R CB -0.238 29.995 30.300 -0.112 0.000 0.861 967 R HN 0.695 nan 8.270 nan 0.000 0.440 968 E N -0.284 119.903 120.200 -0.021 0.000 2.170 968 E HA -0.100 4.250 4.350 0.001 0.000 0.191 968 E C 2.106 178.719 176.600 0.022 0.000 0.981 968 E CA 0.458 56.842 56.400 -0.026 0.000 0.830 968 E CB 0.064 29.756 29.700 -0.014 0.000 0.775 968 E HN 0.445 nan 8.360 nan 0.000 0.470 969 Q N 0.167 120.029 119.800 0.102 0.000 2.050 969 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 969 Q C 1.917 178.023 176.000 0.177 0.000 0.980 969 Q CA 1.327 57.239 55.803 0.182 0.000 0.840 969 Q CB -0.202 28.725 28.738 0.315 0.000 0.898 969 Q HN 0.217 nan 8.270 nan 0.000 0.424 970 F N 1.705 121.596 119.950 -0.097 0.000 2.051 970 F HA -0.246 4.281 4.527 0.000 0.000 0.296 970 F C 2.671 178.310 175.800 -0.268 0.000 1.122 970 F CA 2.040 59.755 58.000 -0.476 0.000 1.201 970 F CB -0.648 38.024 39.000 -0.547 0.000 0.978 970 F HN 0.121 nan 8.300 nan 0.000 0.472 971 T N -1.893 112.636 114.554 -0.041 0.000 2.897 971 T HA -0.244 4.106 4.350 0.001 0.000 0.271 971 T C 1.726 176.333 174.700 -0.155 0.000 1.084 971 T CA 1.439 63.450 62.100 -0.149 0.000 1.123 971 T CB -0.482 68.213 68.868 -0.288 0.000 0.865 971 T HN 0.363 nan 8.240 nan 0.000 0.496 972 Q N 1.778 121.514 119.800 -0.107 0.000 2.049 972 Q HA 0.262 4.602 4.340 0.001 0.000 0.198 972 Q C 2.528 178.495 176.000 -0.055 0.000 0.971 972 Q CA 1.770 57.535 55.803 -0.064 0.000 0.833 972 Q CB -1.023 27.703 28.738 -0.019 0.000 0.896 972 Q HN 0.601 nan 8.270 nan 0.000 0.434 973 A N 0.478 123.248 122.820 -0.083 0.000 1.883 973 A HA -0.165 4.155 4.320 0.001 0.000 0.217 973 A C 2.152 179.693 177.584 -0.072 0.000 1.186 973 A CA 1.576 53.572 52.037 -0.068 0.000 0.624 973 A CB -0.949 17.996 19.000 -0.092 0.000 0.822 973 A HN 0.463 nan 8.150 nan 0.000 0.444 974 L N -0.608 120.506 121.223 -0.183 0.000 2.012 974 L HA -0.212 4.128 4.340 0.001 0.000 0.210 974 L C 2.972 179.932 176.870 0.150 0.000 1.073 974 L CA 1.702 56.544 54.840 0.004 0.000 0.748 974 L CB -0.618 41.454 42.059 0.022 0.000 0.891 974 L HN 0.553 nan 8.230 nan 0.000 0.431 975 S N -0.207 115.514 115.700 0.035 0.000 2.353 975 S HA -0.238 4.232 4.470 0.001 0.000 0.222 975 S C 1.699 176.343 174.600 0.074 0.000 1.035 975 S CA 1.840 60.060 58.200 0.033 0.000 1.025 975 S CB -0.280 62.901 63.200 -0.031 0.000 0.902 975 S HN 0.401 nan 8.310 nan 0.000 0.440 976 D N -0.376 120.062 120.400 0.063 0.000 2.123 976 D HA -0.120 4.520 4.640 0.001 0.000 0.196 976 D C 1.619 177.981 176.300 0.104 0.000 0.992 976 D CA 1.369 55.408 54.000 0.066 0.000 0.833 976 D CB -0.555 40.278 40.800 0.054 0.000 0.954 976 D HN 0.638 nan 8.370 nan 0.000 0.455 977 Y N 1.082 121.408 120.300 0.043 0.000 2.097 977 Y HA -0.227 4.324 4.550 0.000 0.000 0.282 977 Y C 2.260 178.215 175.900 0.091 0.000 1.152 977 Y CA 1.299 59.439 58.100 0.068 0.000 1.136 977 Y CB -0.398 38.113 38.460 0.085 0.000 0.975 977 Y HN -0.063 nan 8.280 nan 0.000 0.498 978 L N -0.241 121.164 121.223 0.303 0.000 2.056 978 L HA -0.106 4.235 4.340 0.001 0.000 0.207 978 L C 1.332 178.218 176.870 0.027 0.000 1.078 978 L CA 1.574 56.509 54.840 0.159 0.000 0.749 978 L CB -0.460 41.664 42.059 0.108 0.000 0.901 978 L HN 0.209 nan 8.230 nan 0.000 0.433 979 M N -0.153 119.475 119.600 0.046 0.000 3.057 979 M HA 0.103 4.583 4.480 0.001 0.000 0.246 979 M C 1.281 177.586 176.300 0.008 0.000 1.289 979 M CA 0.371 55.693 55.300 0.036 0.000 1.161 979 M CB -0.349 32.293 32.600 0.071 0.000 1.302 979 M HN 0.426 nan 8.290 nan 0.000 0.483 980 Q N 0.847 120.626 119.800 -0.036 0.000 1.993 980 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 980 Q C 0.982 176.970 176.000 -0.019 0.000 0.984 980 Q CA 1.065 56.841 55.803 -0.046 0.000 0.837 980 Q CB 0.117 28.788 28.738 -0.111 0.000 0.902 980 Q HN 0.490 nan 8.270 nan 0.000 0.423 981 N N 0.767 119.453 118.700 -0.022 0.000 2.431 981 N HA 0.004 4.744 4.740 0.001 0.000 0.265 981 N C -2.128 173.392 175.510 0.017 0.000 1.184 981 N CA -1.126 51.924 53.050 0.001 0.000 0.943 981 N CB 1.337 39.825 38.487 0.001 0.000 1.080 981 N HN -0.054 nan 8.380 nan 0.000 0.477 982 P HA -0.144 nan 4.420 nan 0.000 0.217 982 P C 0.969 178.290 177.300 0.035 0.000 1.148 982 P CA 1.057 64.176 63.100 0.031 0.000 0.828 982 P CB 0.360 32.077 31.700 0.028 0.000 0.783 983 E N -0.624 119.595 120.200 0.032 0.000 2.085 983 E HA -0.178 4.172 4.350 0.001 0.000 0.194 983 E C 1.886 178.502 176.600 0.027 0.000 0.994 983 E CA 0.737 57.155 56.400 0.031 0.000 0.801 983 E CB -0.483 29.238 29.700 0.035 0.000 0.743 983 E HN 0.168 nan 8.360 nan 0.000 0.453 984 L N 0.790 122.027 121.223 0.024 0.000 1.994 984 L HA -0.216 4.124 4.340 0.001 0.000 0.208 984 L C 2.703 179.584 176.870 0.020 0.000 1.071 984 L CA 1.625 56.472 54.840 0.012 0.000 0.745 984 L CB -0.336 41.725 42.059 0.005 0.000 0.892 984 L HN 0.117 nan 8.230 nan 0.000 0.431 985 K N -0.592 119.844 120.400 0.060 0.000 2.044 985 K HA -0.271 4.050 4.320 0.001 0.000 0.210 985 K C 2.258 178.921 176.600 0.107 0.000 1.049 985 K CA 2.056 58.422 56.287 0.132 0.000 0.927 985 K CB -0.260 32.323 32.500 0.138 0.000 0.713 985 K HN 0.215 nan 8.250 nan 0.000 0.443 986 S N 0.218 115.959 115.700 0.070 0.000 2.387 986 S HA -0.170 4.301 4.470 0.001 0.000 0.230 986 S C 1.932 176.548 174.600 0.027 0.000 1.035 986 S CA 1.378 59.611 58.200 0.054 0.000 1.014 986 S CB -0.212 63.012 63.200 0.040 0.000 0.836 986 S HN 0.371 nan 8.310 nan 0.000 0.466 987 R N -0.048 120.454 120.500 0.002 0.000 2.081 987 R HA -0.041 4.299 4.340 0.001 0.000 0.235 987 R C 2.276 178.531 176.300 -0.075 0.000 1.131 987 R CA 1.682 57.765 56.100 -0.028 0.000 0.960 987 R CB -0.585 29.695 30.300 -0.034 0.000 0.856 987 R HN 0.372 nan 8.270 nan 0.000 0.436 988 V N 1.437 121.269 119.914 -0.136 0.000 2.427 988 V HA -0.181 3.939 4.120 0.001 0.000 0.248 988 V C 2.272 178.229 176.094 -0.228 0.000 1.051 988 V CA 1.428 63.529 62.300 -0.332 0.000 1.048 988 V CB -0.426 30.945 31.823 -0.754 0.000 0.666 988 V HN 0.285 nan 8.190 nan 0.000 0.456 989 L N -0.702 120.517 121.223 -0.007 0.000 2.131 989 L HA -0.124 4.216 4.340 0.001 0.000 0.210 989 L C 2.841 179.746 176.870 0.059 0.000 1.092 989 L CA 1.219 56.126 54.840 0.111 0.000 0.759 989 L CB -0.593 41.557 42.059 0.153 0.000 0.903 989 L HN 0.235 nan 8.230 nan 0.000 0.435 990 R N 0.549 121.064 120.500 0.026 0.000 2.062 990 R HA -0.098 4.242 4.340 0.001 0.000 0.231 990 R C 2.251 178.574 176.300 0.038 0.000 1.136 990 R CA 1.580 57.700 56.100 0.033 0.000 0.948 990 R CB -0.986 29.324 30.300 0.017 0.000 0.845 990 R HN 0.382 nan 8.270 nan 0.000 0.430 991 G N 1.095 109.891 108.800 -0.007 0.000 2.505 991 G HA2 -0.310 3.651 3.960 0.001 0.000 0.220 991 G HA3 -0.310 3.651 3.960 0.001 0.000 0.220 991 G C 1.690 176.634 174.900 0.074 0.000 1.145 991 G CA 0.843 45.945 45.100 0.003 0.000 0.761 991 G HN 0.318 nan 8.290 nan 0.000 0.571 992 R N 0.502 121.027 120.500 0.041 0.000 2.109 992 R HA -0.111 4.230 4.340 0.001 0.000 0.227 992 R C 3.232 179.643 176.300 0.184 0.000 1.132 992 R CA 1.959 58.130 56.100 0.118 0.000 0.907 992 R CB -0.719 29.653 30.300 0.121 0.000 0.825 992 R HN 0.520 nan 8.270 nan 0.000 0.432 993 S N 0.797 116.578 115.700 0.136 0.000 2.423 993 S HA -0.184 4.287 4.470 0.001 0.000 0.238 993 S C 1.739 176.423 174.600 0.140 0.000 1.028 993 S CA 1.254 59.524 58.200 0.118 0.000 1.000 993 S CB -0.252 63.002 63.200 0.089 0.000 0.797 993 S HN 0.273 nan 8.310 nan 0.000 0.487 994 E N 0.412 120.719 120.200 0.178 0.000 2.072 994 E HA -0.065 4.285 4.350 0.001 0.000 0.190 994 E C 1.668 178.446 176.600 0.297 0.000 0.982 994 E CA 0.702 57.248 56.400 0.243 0.000 0.803 994 E CB -0.438 29.375 29.700 0.189 0.000 0.755 994 E HN 0.805 nan 8.360 nan 0.000 0.453 995 W N 2.003 123.344 121.300 0.069 0.000 2.335 995 W HA -0.216 4.444 4.660 0.000 0.000 0.311 995 W C 1.364 177.893 176.519 0.015 0.000 1.213 995 W CA 1.179 58.548 57.345 0.040 0.000 1.274 995 W CB 0.174 29.633 29.460 -0.002 0.000 1.148 995 W HN 0.016 nan 8.180 nan 0.000 0.498 996 E N 0.508 120.742 120.200 0.056 0.000 2.331 996 E HA -0.194 4.156 4.350 0.001 0.000 0.199 996 E C 1.723 178.199 176.600 -0.206 0.000 1.008 996 E CA 1.480 57.830 56.400 -0.082 0.000 0.843 996 E CB -0.273 29.433 29.700 0.010 0.000 0.761 996 E HN 0.508 nan 8.360 nan 0.000 0.507 997 K N -1.243 119.016 120.400 -0.236 0.000 2.276 997 K HA 0.066 4.386 4.320 0.001 0.000 0.198 997 K C 1.296 177.411 176.600 -0.809 0.000 1.052 997 K CA 0.485 56.464 56.287 -0.513 0.000 0.984 997 K CB 0.273 32.411 32.500 -0.603 0.000 0.836 997 K HN 0.108 nan 8.250 nan 0.000 0.490 998 Y N -1.204 118.958 120.300 -0.229 0.000 2.467 998 Y HA 0.273 4.824 4.550 0.000 0.000 0.259 998 Y C 1.991 177.624 175.900 -0.445 0.000 1.084 998 Y CA 0.039 57.986 58.100 -0.254 0.000 1.275 998 Y CB 0.803 39.174 38.460 -0.149 0.000 1.208 998 Y HN 0.061 nan 8.280 nan 0.000 0.511 999 G N -0.106 108.254 108.800 -0.734 0.000 2.739 999 G HA2 0.323 4.283 3.960 0.001 0.000 0.200 999 G HA3 0.323 4.283 3.960 0.001 0.000 0.200 999 G C 0.502 174.472 174.900 -1.549 0.000 1.069 999 G CA 0.296 44.552 45.100 -1.406 0.000 0.768 999 G HN 0.246 nan 8.290 nan 0.000 0.565 1000 A N 0.261 122.126 122.820 -1.592 0.000 2.566 1000 A HA 0.462 4.782 4.320 0.001 0.000 0.245 1000 A C 1.689 179.023 177.584 -0.417 0.000 1.056 1000 A CA 1.425 53.012 52.037 -0.750 0.000 0.757 1000 A CB -0.467 18.301 19.000 -0.387 0.000 0.979 1000 A HN 1.815 nan 8.150 nan 0.000 0.508 1001 G N 1.618 110.225 108.800 -0.321 0.000 2.399 1001 G HA2 -0.286 3.674 3.960 0.001 0.000 0.216 1001 G HA3 -0.286 3.674 3.960 0.001 0.000 0.216 1001 G C 1.040 175.776 174.900 -0.274 0.000 1.096 1001 G CA 0.404 45.354 45.100 -0.251 0.000 0.650 1001 G HN 0.718 nan 8.290 nan 0.000 0.512 1002 I N 1.949 122.352 120.570 -0.278 0.000 2.142 1002 I HA 0.121 4.291 4.170 0.001 0.000 0.240 1002 I C 1.669 177.695 176.117 -0.151 0.000 1.078 1002 I CA 1.955 63.146 61.300 -0.181 0.000 1.343 1002 I CB -0.282 37.610 38.000 -0.179 0.000 1.046 1002 I HN 0.571 nan 8.210 nan 0.000 0.405 1003 I N -4.128 116.349 120.570 -0.155 0.000 3.145 1003 I HA 0.367 4.537 4.170 0.001 0.000 0.313 1003 I C 0.211 176.176 176.117 -0.253 0.000 1.122 1003 I CA -0.642 60.602 61.300 -0.093 0.000 0.987 1003 I CB 2.098 40.139 38.000 0.068 0.000 1.236 1003 I HN -0.042 nan 8.210 nan 0.000 0.453 1004 H N 1.505 120.617 119.070 0.070 0.000 2.923 1004 H HA 0.315 4.872 4.556 0.001 0.000 0.268 1004 H C -0.293 175.040 175.328 0.008 0.000 1.148 1004 H CA -0.061 56.020 56.048 0.055 0.000 1.146 1004 H CB 0.537 30.297 29.762 -0.003 0.000 1.607 1004 H HN 0.589 nan 8.280 nan 0.000 0.566 1005 N N 1.408 120.139 118.700 0.051 0.000 2.321 1005 N HA 0.125 4.865 4.740 0.001 0.000 0.242 1005 N C -2.492 172.956 175.510 -0.103 0.000 1.141 1005 N CA -1.170 51.869 53.050 -0.018 0.000 0.864 1005 N CB 0.404 38.877 38.487 -0.023 0.000 1.100 1005 N HN 0.210 nan 8.380 nan 0.000 0.510 1006 P HA 0.047 nan 4.420 nan 0.000 0.251 1006 P C -2.394 174.692 177.300 -0.356 0.000 1.154 1006 P CA -0.334 62.486 63.100 -0.466 0.000 0.805 1006 P CB -0.178 30.968 31.700 -0.923 0.000 0.759 1007 P HA 0.200 nan 4.420 nan 0.000 0.271 1007 P C -0.320 176.819 177.300 -0.268 0.000 1.216 1007 P CA 0.148 63.120 63.100 -0.212 0.000 0.776 1007 P CB 0.802 32.409 31.700 -0.154 0.000 0.881 1008 S N 1.594 117.158 115.700 -0.227 0.000 2.533 1008 S HA 0.288 4.758 4.470 0.001 0.000 0.271 1008 S C 0.767 175.239 174.600 -0.213 0.000 1.143 1008 S CA -0.661 57.378 58.200 -0.267 0.000 0.891 1008 S CB 0.616 63.649 63.200 -0.279 0.000 1.105 1008 S HN 0.278 nan 8.310 nan 0.000 0.468 1009 L N 3.055 124.116 121.223 -0.269 0.000 2.265 1009 L HA -0.016 4.325 4.340 0.001 0.000 0.215 1009 L C 1.268 178.130 176.870 -0.013 0.000 1.117 1009 L CA 1.083 55.812 54.840 -0.185 0.000 0.782 1009 L CB -0.439 41.499 42.059 -0.201 0.000 0.914 1009 L HN 0.667 nan 8.230 nan 0.000 0.441 1010 F N 0.135 120.015 119.950 -0.118 0.000 2.604 1010 F HA -0.118 4.410 4.527 0.001 0.000 0.298 1010 F C 2.079 177.843 175.800 -0.060 0.000 1.131 1010 F CA 0.373 58.325 58.000 -0.079 0.000 1.457 1010 F CB -0.640 38.313 39.000 -0.078 0.000 1.095 1010 F HN 0.176 nan 8.300 nan 0.000 0.574 1011 D N -0.447 119.989 120.400 0.060 0.000 2.201 1011 D HA -0.055 4.585 4.640 0.001 0.000 0.209 1011 D C 2.569 178.883 176.300 0.024 0.000 0.961 1011 D CA 0.727 54.726 54.000 -0.002 0.000 0.861 1011 D CB -0.508 40.245 40.800 -0.078 0.000 0.997 1011 D HN 0.041 nan 8.370 nan 0.000 0.486 1012 V N 2.253 122.077 119.914 -0.150 0.000 2.252 1012 V HA -0.266 3.854 4.120 0.001 0.000 0.255 1012 V C -0.577 175.227 176.094 -0.484 0.000 1.071 1012 V CA 2.171 64.200 62.300 -0.452 0.000 1.050 1012 V CB -1.793 29.613 31.823 -0.695 0.000 0.654 1012 V HN 0.165 nan 8.190 nan 0.000 0.448 1013 P HA -0.131 nan 4.420 nan 0.000 0.216 1013 P C 1.288 178.582 177.300 -0.011 0.000 1.150 1013 P CA 1.657 64.694 63.100 -0.105 0.000 0.837 1013 P CB -0.121 31.520 31.700 -0.099 0.000 0.786 1014 H N -0.847 118.234 119.070 0.018 0.000 2.395 1014 H HA 0.025 4.581 4.556 0.001 0.000 0.299 1014 H C 1.823 177.244 175.328 0.155 0.000 1.070 1014 H CA 1.190 57.293 56.048 0.093 0.000 1.356 1014 H CB -0.478 29.304 29.762 0.033 0.000 1.401 1014 H HN 0.106 nan 8.280 nan 0.000 0.524 1015 K N -0.404 120.105 120.400 0.182 0.000 2.097 1015 K HA -0.136 4.185 4.320 0.001 0.000 0.205 1015 K C 1.589 178.354 176.600 0.274 0.000 1.050 1015 K CA 0.862 57.244 56.287 0.158 0.000 0.938 1015 K CB -0.017 32.514 32.500 0.052 0.000 0.718 1015 K HN 0.281 nan 8.250 nan 0.000 0.442 1016 W N 0.375 121.739 121.300 0.108 0.000 2.358 1016 W HA -0.168 4.493 4.660 0.000 0.000 0.303 1016 W C 2.166 178.769 176.519 0.140 0.000 1.208 1016 W CA 0.503 57.900 57.345 0.087 0.000 1.274 1016 W CB -1.126 28.363 29.460 0.049 0.000 1.138 1016 W HN 0.140 nan 8.180 nan 0.000 0.515 1017 Y N 1.423 121.913 120.300 0.316 0.000 2.145 1017 Y HA -0.295 4.255 4.550 0.001 0.000 0.286 1017 Y C 2.462 178.439 175.900 0.128 0.000 1.145 1017 Y CA 2.611 60.855 58.100 0.239 0.000 1.148 1017 Y CB -0.612 37.949 38.460 0.169 0.000 0.981 1017 Y HN -0.004 nan 8.280 nan 0.000 0.507 1018 Q N -0.199 119.675 119.800 0.124 0.000 2.096 1018 Q HA -0.161 4.180 4.340 0.001 0.000 0.204 1018 Q C 2.506 178.478 176.000 -0.046 0.000 0.982 1018 Q CA 1.380 57.183 55.803 -0.001 0.000 0.850 1018 Q CB -0.608 28.203 28.738 0.121 0.000 0.901 1018 Q HN 0.682 nan 8.270 nan 0.000 0.422 1019 G N 0.813 109.640 108.800 0.045 0.000 2.418 1019 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 1019 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 1019 G C 1.507 176.387 174.900 -0.034 0.000 1.158 1019 G CA 0.817 45.935 45.100 0.031 0.000 0.771 1019 G HN 0.423 nan 8.290 nan 0.000 0.545 1020 A N -0.168 122.622 122.820 -0.051 0.000 1.969 1020 A HA -0.009 4.311 4.320 0.001 0.000 0.218 1020 A C 2.257 179.731 177.584 -0.184 0.000 1.169 1020 A CA 1.817 53.803 52.037 -0.084 0.000 0.635 1020 A CB -0.336 18.658 19.000 -0.011 0.000 0.810 1020 A HN 0.439 nan 8.150 nan 0.000 0.445 1021 Q N -0.605 119.017 119.800 -0.297 0.000 1.965 1021 Q HA -0.160 4.180 4.340 0.001 0.000 0.200 1021 Q C 1.627 177.527 176.000 -0.166 0.000 0.981 1021 Q CA 1.385 57.004 55.803 -0.307 0.000 0.834 1021 Q CB -0.172 28.322 28.738 -0.408 0.000 0.900 1021 Q HN 0.545 nan 8.270 nan 0.000 0.426 1022 E N 0.057 120.186 120.200 -0.118 0.000 2.455 1022 E HA -0.144 4.206 4.350 0.001 0.000 0.202 1022 E C 1.340 177.902 176.600 -0.062 0.000 1.045 1022 E CA 0.790 57.148 56.400 -0.070 0.000 0.872 1022 E CB -0.124 29.552 29.700 -0.040 0.000 0.792 1022 E HN 0.352 nan 8.360 nan 0.000 0.542 1023 A N 0.707 123.482 122.820 -0.075 0.000 2.123 1023 A HA 0.291 4.612 4.320 0.001 0.000 0.214 1023 A C 1.417 178.959 177.584 -0.071 0.000 1.152 1023 A CA 0.600 52.599 52.037 -0.064 0.000 0.728 1023 A CB 0.029 18.991 19.000 -0.062 0.000 0.814 1023 A HN 0.186 nan 8.150 nan 0.000 0.464 1024 A N -0.075 122.693 122.820 -0.087 0.000 2.351 1024 A HA 0.542 4.862 4.320 0.001 0.000 0.257 1024 A C 0.187 177.733 177.584 -0.064 0.000 1.087 1024 A CA -0.473 51.512 52.037 -0.086 0.000 0.798 1024 A CB -0.122 18.814 19.000 -0.107 0.000 1.033 1024 A HN 0.382 nan 8.150 nan 0.000 0.488 1025 I N 1.444 121.979 120.570 -0.058 0.000 2.683 1025 I HA 0.194 4.364 4.170 0.001 0.000 0.286 1025 I C 1.087 177.183 176.117 -0.035 0.000 1.175 1025 I CA 0.073 61.348 61.300 -0.041 0.000 1.429 1025 I CB 0.462 38.438 38.000 -0.039 0.000 1.371 1025 I HN 0.711 nan 8.210 nan 0.000 0.569 1026 A N 5.231 128.038 122.820 -0.023 0.000 2.287 1026 A HA 0.565 4.886 4.320 0.001 0.000 0.273 1026 A C 0.368 177.947 177.584 -0.008 0.000 1.091 1026 A CA -0.360 51.668 52.037 -0.015 0.000 0.817 1026 A CB 0.460 19.457 19.000 -0.005 0.000 1.069 1026 A HN 0.774 nan 8.150 nan 0.000 0.492 1027 T N -1.960 112.592 114.554 -0.004 0.000 2.927 1027 T HA 0.414 4.764 4.350 0.001 0.000 0.281 1027 T C 0.963 175.669 174.700 0.009 0.000 0.998 1027 T CA -0.456 61.644 62.100 -0.000 0.000 1.019 1027 T CB 1.112 69.978 68.868 -0.002 0.000 1.061 1027 T HN 0.651 nan 8.240 nan 0.000 0.518 1028 R N -0.002 120.505 120.500 0.011 0.000 2.152 1028 R HA -0.094 4.246 4.340 0.001 0.000 0.232 1028 R C 1.744 178.055 176.300 0.019 0.000 1.117 1028 R CA 1.470 57.581 56.100 0.018 0.000 0.981 1028 R CB -0.195 30.114 30.300 0.015 0.000 0.870 1028 R HN 0.779 nan 8.270 nan 0.000 0.451 1029 E N 0.379 120.587 120.200 0.014 0.000 2.028 1029 E HA -0.162 4.188 4.350 0.001 0.000 0.191 1029 E C 1.666 178.277 176.600 0.018 0.000 0.988 1029 E CA 1.455 57.863 56.400 0.014 0.000 0.799 1029 E CB -0.068 29.638 29.700 0.009 0.000 0.755 1029 E HN 0.396 nan 8.360 nan 0.000 0.447 1030 E N 0.082 120.292 120.200 0.016 0.000 2.204 1030 E HA -0.172 4.179 4.350 0.001 0.000 0.195 1030 E C 1.836 178.453 176.600 0.029 0.000 0.990 1030 E CA 0.494 56.905 56.400 0.018 0.000 0.821 1030 E CB -0.041 29.666 29.700 0.010 0.000 0.750 1030 E HN 0.091 nan 8.360 nan 0.000 0.477 1031 L N 0.399 121.642 121.223 0.034 0.000 2.131 1031 L HA 0.008 4.348 4.340 0.001 0.000 0.206 1031 L C 2.126 179.031 176.870 0.059 0.000 1.087 1031 L CA 1.659 56.530 54.840 0.052 0.000 0.767 1031 L CB -0.409 41.684 42.059 0.056 0.000 0.917 1031 L HN 0.005 nan 8.230 nan 0.000 0.441 1032 A N -0.768 122.078 122.820 0.044 0.000 1.930 1032 A HA -0.174 4.146 4.320 0.001 0.000 0.217 1032 A C 2.118 179.727 177.584 0.042 0.000 1.175 1032 A CA 1.582 53.644 52.037 0.041 0.000 0.627 1032 A CB -0.530 18.486 19.000 0.026 0.000 0.815 1032 A HN 0.599 nan 8.150 nan 0.000 0.443 1033 E N -0.771 119.450 120.200 0.037 0.000 2.077 1033 E HA -0.203 4.147 4.350 0.001 0.000 0.193 1033 E C 2.045 178.671 176.600 0.044 0.000 0.989 1033 E CA 1.300 57.721 56.400 0.034 0.000 0.800 1033 E CB -0.304 29.413 29.700 0.028 0.000 0.746 1033 E HN 0.744 nan 8.360 nan 0.000 0.452 1034 M N 1.221 120.852 119.600 0.052 0.000 2.159 1034 M HA -0.181 4.299 4.480 0.001 0.000 0.263 1034 M C 1.034 177.383 176.300 0.081 0.000 1.063 1034 M CA 1.649 56.986 55.300 0.062 0.000 1.110 1034 M CB 0.025 32.664 32.600 0.065 0.000 1.374 1034 M HN -0.090 nan 8.290 nan 0.000 0.411 1035 D N 0.531 120.988 120.400 0.095 0.000 2.078 1035 D HA -0.199 4.441 4.640 0.001 0.000 0.193 1035 D C 1.802 178.150 176.300 0.080 0.000 0.990 1035 D CA 1.545 55.614 54.000 0.115 0.000 0.827 1035 D CB -0.527 40.341 40.800 0.113 0.000 0.975 1035 D HN 0.374 nan 8.370 nan 0.000 0.451 1036 E N 0.219 120.454 120.200 0.059 0.000 2.136 1036 E HA -0.191 4.159 4.350 0.001 0.000 0.202 1036 E C 1.903 178.532 176.600 0.048 0.000 1.019 1036 E CA 1.756 58.183 56.400 0.046 0.000 0.819 1036 E CB -0.503 29.218 29.700 0.035 0.000 0.739 1036 E HN 0.194 nan 8.360 nan 0.000 0.458 1037 T N 0.375 114.958 114.554 0.049 0.000 2.674 1037 T HA -0.126 4.225 4.350 0.001 0.000 0.265 1037 T C 1.901 176.631 174.700 0.051 0.000 1.039 1037 T CA 1.449 63.576 62.100 0.046 0.000 1.150 1037 T CB -0.322 68.573 68.868 0.045 0.000 0.864 1037 T HN 0.134 nan 8.240 nan 0.000 0.427 1038 L N 0.073 121.327 121.223 0.052 0.000 2.141 1038 L HA 0.040 4.381 4.340 0.001 0.000 0.209 1038 L C 2.590 179.477 176.870 0.029 0.000 1.094 1038 L CA 1.051 55.906 54.840 0.026 0.000 0.763 1038 L CB -0.350 41.710 42.059 0.002 0.000 0.908 1038 L HN 0.285 nan 8.230 nan 0.000 0.437 1039 M N -1.100 118.531 119.600 0.050 0.000 2.447 1039 M HA -0.123 4.357 4.480 0.001 0.000 0.264 1039 M C 2.308 178.651 176.300 0.073 0.000 1.095 1039 M CA 1.030 56.366 55.300 0.060 0.000 1.125 1039 M CB 0.096 32.730 32.600 0.056 0.000 1.389 1039 M HN 0.104 nan 8.290 nan 0.000 0.459 1040 R N -0.240 120.302 120.500 0.070 0.000 2.075 1040 R HA 0.017 4.357 4.340 0.001 0.000 0.226 1040 R C 1.967 178.338 176.300 0.118 0.000 1.114 1040 R CA 1.232 57.379 56.100 0.079 0.000 0.972 1040 R CB -0.130 30.205 30.300 0.058 0.000 0.869 1040 R HN 0.370 nan 8.270 nan 0.000 0.437 1041 A N 0.861 123.753 122.820 0.121 0.000 2.015 1041 A HA -0.140 4.180 4.320 0.001 0.000 0.219 1041 A C 2.090 179.843 177.584 0.281 0.000 1.163 1041 A CA 1.043 53.200 52.037 0.200 0.000 0.646 1041 A CB -0.430 18.669 19.000 0.164 0.000 0.806 1041 A HN 0.302 nan 8.150 nan 0.000 0.448 1042 R N -0.619 119.996 120.500 0.191 0.000 2.119 1042 R HA -0.002 4.338 4.340 0.001 0.000 0.222 1042 R C 2.266 178.685 176.300 0.199 0.000 1.088 1042 R CA 0.903 57.121 56.100 0.197 0.000 0.984 1042 R CB -0.138 30.241 30.300 0.131 0.000 0.884 1042 R HN 0.506 nan 8.270 nan 0.000 0.447 1043 R N -0.573 120.021 120.500 0.157 0.000 2.055 1043 R HA -0.033 4.307 4.340 0.001 0.000 0.226 1043 R C 0.934 177.296 176.300 0.103 0.000 1.135 1043 R CA 0.359 56.527 56.100 0.114 0.000 0.959 1043 R CB -0.660 29.685 30.300 0.074 0.000 0.854 1043 R HN 0.271 nan 8.270 nan 0.000 0.431 1044 H N 1.484 120.545 119.070 -0.016 0.000 3.119 1044 H HA -0.056 4.500 4.556 0.001 0.000 0.334 1044 H C -0.305 174.892 175.328 -0.218 0.000 1.042 1044 H CA 0.963 56.900 56.048 -0.184 0.000 1.354 1044 H CB 0.594 30.170 29.762 -0.309 0.000 1.285 1044 H HN 0.153 nan 8.280 nan 0.000 0.601 1045 S N 3.935 119.395 115.700 -0.400 0.000 2.568 1045 S HA 0.569 5.040 4.470 0.001 0.000 0.302 1045 S C -1.283 173.130 174.600 -0.312 0.000 1.082 1045 S CA -0.720 57.404 58.200 -0.125 0.000 1.009 1045 S CB 1.613 64.770 63.200 -0.071 0.000 1.069 1045 S HN 0.538 nan 8.310 nan 0.000 0.500 1046 Y N 0.212 120.600 120.300 0.148 0.000 2.659 1046 Y HA 0.601 5.151 4.550 0.001 0.000 0.333 1046 Y C 1.370 177.185 175.900 -0.143 0.000 1.064 1046 Y CA -0.694 57.366 58.100 -0.067 0.000 1.141 1046 Y CB 2.211 40.489 38.460 -0.303 0.000 1.316 1046 Y HN 0.842 nan 8.280 nan 0.000 0.509 1047 S N -1.469 114.191 115.700 -0.066 0.000 2.666 1047 S HA 0.417 4.887 4.470 0.001 0.000 0.239 1047 S C -0.128 174.465 174.600 -0.012 0.000 1.031 1047 S CA 0.328 58.529 58.200 0.002 0.000 1.015 1047 S CB -0.070 63.146 63.200 0.028 0.000 0.981 1047 S HN 0.761 nan 8.310 nan 0.000 0.547 1048 S N -0.475 115.037 115.700 -0.313 0.000 2.656 1048 S HA 0.732 5.202 4.470 0.001 0.000 0.265 1048 S C -1.203 173.227 174.600 -0.284 0.000 1.132 1048 S CA -0.870 57.232 58.200 -0.163 0.000 0.819 1048 S CB -0.050 63.209 63.200 0.098 0.000 1.119 1048 S HN 0.071 nan 8.310 nan 0.000 0.476 1049 F N 2.147 122.172 119.950 0.125 0.000 2.390 1049 F HA 0.692 5.220 4.527 0.001 0.000 0.314 1049 F C 1.620 177.592 175.800 0.286 0.000 1.012 1049 F CA 0.103 58.154 58.000 0.084 0.000 1.122 1049 F CB 0.102 39.008 39.000 -0.157 0.000 1.829 1049 F HN 0.872 nan 8.300 nan 0.000 0.557 1050 S N 0.028 116.080 115.700 0.587 0.000 2.589 1050 S HA 0.145 4.616 4.470 0.001 0.000 0.265 1050 S C 0.757 175.516 174.600 0.264 0.000 1.342 1050 S CA -0.567 57.884 58.200 0.419 0.000 1.005 1050 S CB 0.744 64.163 63.200 0.365 0.000 0.909 1050 S HN 0.557 nan 8.310 nan 0.000 0.555 1051 K N -0.116 120.440 120.400 0.260 0.000 2.097 1051 K HA -0.056 4.264 4.320 0.001 0.000 0.206 1051 K C 1.774 178.377 176.600 0.005 0.000 1.049 1051 K CA 0.932 57.340 56.287 0.201 0.000 0.933 1051 K CB -0.418 32.305 32.500 0.373 0.000 0.717 1051 K HN 0.393 nan 8.250 nan 0.000 0.442 1052 L N 0.840 121.964 121.223 -0.166 0.000 2.017 1052 L HA -0.150 4.190 4.340 0.001 0.000 0.208 1052 L C 2.144 178.513 176.870 -0.836 0.000 1.073 1052 L CA 1.321 55.824 54.840 -0.561 0.000 0.745 1052 L CB -0.792 40.818 42.059 -0.748 0.000 0.894 1052 L HN 0.159 nan 8.230 nan 0.000 0.432 1053 L N -0.661 120.293 121.223 -0.447 0.000 2.093 1053 L HA -0.132 4.208 4.340 0.001 0.000 0.208 1053 L C 2.363 179.150 176.870 -0.138 0.000 1.085 1053 L CA 1.654 56.318 54.840 -0.293 0.000 0.755 1053 L CB -0.768 41.239 42.059 -0.085 0.000 0.904 1053 L HN 0.259 nan 8.230 nan 0.000 0.435 1054 E N 0.017 120.200 120.200 -0.029 0.000 2.204 1054 E HA -0.151 4.200 4.350 0.001 0.000 0.195 1054 E C 2.114 178.687 176.600 -0.045 0.000 0.990 1054 E CA 1.133 57.560 56.400 0.045 0.000 0.821 1054 E CB -0.257 29.504 29.700 0.102 0.000 0.750 1054 E HN 0.664 nan 8.360 nan 0.000 0.477 1055 A N 0.473 123.192 122.820 -0.169 0.000 1.874 1055 A HA -0.127 4.193 4.320 0.001 0.000 0.214 1055 A C 1.863 179.415 177.584 -0.053 0.000 1.189 1055 A CA 0.750 52.649 52.037 -0.229 0.000 0.615 1055 A CB -0.655 18.063 19.000 -0.471 0.000 0.830 1055 A HN 0.153 nan 8.150 nan 0.000 0.443 1056 Y N 0.516 120.799 120.300 -0.027 0.000 2.207 1056 Y HA -0.120 4.431 4.550 0.001 0.000 0.287 1056 Y C 2.064 177.943 175.900 -0.035 0.000 1.156 1056 Y CA 0.581 58.578 58.100 -0.172 0.000 1.182 1056 Y CB -1.126 37.050 38.460 -0.473 0.000 0.979 1056 Y HN 0.179 nan 8.280 nan 0.000 0.521 1057 L N -0.581 120.792 121.223 0.251 0.000 2.353 1057 L HA -0.198 4.142 4.340 0.001 0.000 0.220 1057 L C 1.962 178.900 176.870 0.113 0.000 1.133 1057 L CA 0.767 55.747 54.840 0.234 0.000 0.798 1057 L CB -0.581 41.507 42.059 0.049 0.000 0.922 1057 L HN 0.253 nan 8.230 nan 0.000 0.445 1058 L N -0.855 120.413 121.223 0.076 0.000 2.376 1058 L HA -0.032 4.309 4.340 0.001 0.000 0.219 1058 L C 0.625 177.536 176.870 0.069 0.000 1.133 1058 L CA 0.064 54.932 54.840 0.047 0.000 0.816 1058 L CB -0.263 41.819 42.059 0.039 0.000 0.933 1058 L HN -0.008 nan 8.230 nan 0.000 0.449 1059 V N 0.847 120.834 119.914 0.122 0.000 2.406 1059 V HA 0.182 4.302 4.120 0.001 0.000 0.272 1059 V C -0.146 176.008 176.094 0.100 0.000 1.043 1059 V CA -0.491 61.845 62.300 0.060 0.000 0.915 1059 V CB 1.124 33.002 31.823 0.092 0.000 0.988 1059 V HN 0.128 nan 8.190 nan 0.000 0.466 1060 K N 3.879 124.223 120.400 -0.094 0.000 2.203 1060 K HA 0.698 5.019 4.320 0.001 0.000 0.251 1060 K C -1.177 175.296 176.600 -0.211 0.000 0.944 1060 K CA -0.218 56.058 56.287 -0.018 0.000 0.829 1060 K CB 1.797 34.305 32.500 0.014 0.000 1.125 1060 K HN 0.583 nan 8.250 nan 0.000 0.430 1061 W N 0.599 121.973 121.300 0.123 0.000 3.021 1061 W HA 0.576 5.237 4.660 0.001 0.000 0.337 1061 W C -0.418 176.174 176.519 0.121 0.000 1.171 1061 W CA -0.800 56.624 57.345 0.132 0.000 1.060 1061 W CB 1.232 30.774 29.460 0.137 0.000 1.472 1061 W HN 0.102 nan 8.180 nan 0.000 0.594 1062 R N 1.527 122.295 120.500 0.447 0.000 2.473 1062 R HA 0.422 4.762 4.340 0.001 0.000 0.303 1062 R C -0.932 175.556 176.300 0.314 0.000 1.002 1062 R CA -1.001 55.281 56.100 0.303 0.000 0.884 1062 R CB 1.669 32.108 30.300 0.233 0.000 1.173 1062 R HN 0.375 nan 8.270 nan 0.000 0.464 1063 M N 2.544 122.277 119.600 0.221 0.000 2.200 1063 M HA 0.163 4.644 4.480 0.001 0.000 0.355 1063 M C -0.391 176.011 176.300 0.170 0.000 1.283 1063 M CA 0.355 55.758 55.300 0.171 0.000 1.124 1063 M CB 0.557 33.223 32.600 0.110 0.000 1.625 1063 M HN 0.677 nan 8.290 nan 0.000 0.463 1064 C N 1.109 120.524 119.300 0.192 0.000 3.925 1064 C HA 0.525 4.986 4.460 0.001 0.000 0.259 1064 C C -0.348 174.712 174.990 0.116 0.000 3.437 1064 C CA -0.721 58.402 59.018 0.175 0.000 1.834 1064 C CB 0.863 28.780 27.740 0.294 0.000 3.946 1064 C HN 0.759 nan 8.230 nan 0.000 0.494 1065 E N 1.542 121.814 120.200 0.119 0.000 2.415 1065 E HA 0.416 4.766 4.350 0.001 0.000 0.262 1065 E C -0.065 176.564 176.600 0.049 0.000 1.038 1065 E CA 0.151 56.595 56.400 0.073 0.000 0.921 1065 E CB -0.008 29.736 29.700 0.074 0.000 0.950 1065 E HN 0.720 nan 8.360 nan 0.000 0.438 1066 A N 3.417 126.244 122.820 0.012 0.000 2.445 1066 A HA 0.164 4.484 4.320 0.001 0.000 0.242 1066 A C 0.242 177.800 177.584 -0.043 0.000 1.075 1066 A CA -0.289 51.731 52.037 -0.028 0.000 0.777 1066 A CB 0.215 19.191 19.000 -0.040 0.000 1.013 1066 A HN 0.542 nan 8.150 nan 0.000 0.493 1067 R N 0.752 121.192 120.500 -0.099 0.000 2.774 1067 R HA 0.198 4.538 4.340 0.001 0.000 0.269 1067 R C -0.140 176.089 176.300 -0.118 0.000 1.068 1067 R CA -0.344 55.672 56.100 -0.140 0.000 1.180 1067 R CB 0.355 30.475 30.300 -0.299 0.000 1.077 1067 R HN 0.713 nan 8.270 nan 0.000 0.513 1068 E N 1.482 121.619 120.200 -0.105 0.000 2.283 1068 E HA 0.229 4.579 4.350 0.001 0.000 0.271 1068 E C -2.181 174.348 176.600 -0.119 0.000 1.031 1068 E CA -2.008 54.342 56.400 -0.082 0.000 0.868 1068 E CB 0.750 30.424 29.700 -0.043 0.000 1.094 1068 E HN 0.289 nan 8.360 nan 0.000 0.401 1069 P HA 0.046 nan 4.420 nan 0.000 0.264 1069 P C 0.054 177.277 177.300 -0.128 0.000 1.193 1069 P CA 0.405 63.423 63.100 -0.136 0.000 0.763 1069 P CB 0.587 32.225 31.700 -0.103 0.000 0.810 1070 S N 0.664 116.252 115.700 -0.186 0.000 2.503 1070 S HA 0.144 4.615 4.470 0.001 0.000 0.217 1070 S C 0.720 175.153 174.600 -0.279 0.000 0.999 1070 S CA 0.003 58.094 58.200 -0.182 0.000 0.914 1070 S CB -0.117 62.951 63.200 -0.219 0.000 0.782 1070 S HN 0.483 nan 8.310 nan 0.000 0.520 1071 V N -1.530 118.187 119.914 -0.328 0.000 3.147 1071 V HA 0.510 4.631 4.120 0.001 0.000 0.306 1071 V C -1.241 174.755 176.094 -0.163 0.000 1.209 1071 V CA -1.437 60.574 62.300 -0.480 0.000 1.023 1071 V CB 1.543 32.931 31.823 -0.726 0.000 1.059 1071 V HN -0.077 nan 8.190 nan 0.000 0.435 1072 D N 1.101 121.497 120.400 -0.005 0.000 2.493 1072 D HA 0.106 4.746 4.640 0.001 0.000 0.240 1072 D C 0.817 177.150 176.300 0.054 0.000 1.142 1072 D CA 0.236 54.255 54.000 0.033 0.000 0.872 1072 D CB 1.437 42.267 40.800 0.049 0.000 1.173 1072 D HN 0.571 nan 8.370 nan 0.000 0.467 1073 L N 3.973 125.246 121.223 0.084 0.000 2.551 1073 L HA -0.016 4.325 4.340 0.001 0.000 0.228 1073 L C 2.179 179.322 176.870 0.455 0.000 1.153 1073 L CA 0.876 55.870 54.840 0.257 0.000 0.851 1073 L CB -0.267 41.923 42.059 0.218 0.000 0.959 1073 L HN 0.290 nan 8.230 nan 0.000 0.451 1074 R N -1.199 119.431 120.500 0.215 0.000 2.312 1074 R HA 0.164 4.504 4.340 0.001 0.000 0.205 1074 R C 0.056 176.315 176.300 -0.069 0.000 0.904 1074 R CA -0.191 55.971 56.100 0.103 0.000 1.052 1074 R CB 0.155 30.413 30.300 -0.069 0.000 1.014 1074 R HN 0.032 nan 8.270 nan 0.000 0.503 1075 L N 2.779 124.070 121.223 0.114 0.000 2.325 1075 L HA 0.264 4.605 4.340 0.001 0.000 0.284 1075 L C -2.430 174.554 176.870 0.190 0.000 1.089 1075 L CA -2.411 52.496 54.840 0.113 0.000 0.836 1075 L CB 0.606 42.758 42.059 0.155 0.000 1.184 1075 L HN -0.152 nan 8.230 nan 0.000 0.444 1076 P HA 0.094 nan 4.420 nan 0.000 0.276 1076 P C -0.069 177.403 177.300 0.287 0.000 1.253 1076 P CA -0.200 63.029 63.100 0.215 0.000 0.766 1076 P CB 0.923 32.607 31.700 -0.026 0.000 0.845 1077 L N 2.344 123.756 121.223 0.314 0.000 2.577 1077 L HA 0.232 4.572 4.340 0.001 0.000 0.225 1077 L C 0.457 177.451 176.870 0.207 0.000 1.053 1077 L CA 0.776 55.750 54.840 0.225 0.000 0.866 1077 L CB -0.184 41.970 42.059 0.160 0.000 1.132 1077 L HN 0.386 nan 8.230 nan 0.000 0.486 1078 C N 1.110 120.535 119.300 0.209 0.000 2.727 1078 C HA 0.736 5.196 4.460 0.001 0.000 0.369 1078 C C 0.376 175.446 174.990 0.133 0.000 1.067 1078 C CA -1.247 57.860 59.018 0.148 0.000 1.273 1078 C CB -0.009 27.810 27.740 0.133 0.000 1.778 1078 C HN 0.436 nan 8.230 nan 0.000 0.467 1079 A N 3.923 126.796 122.820 0.088 0.000 2.566 1079 A HA 0.459 4.779 4.320 0.001 0.000 0.245 1079 A C 1.573 179.171 177.584 0.024 0.000 1.056 1079 A CA 1.526 53.595 52.037 0.053 0.000 0.757 1079 A CB -0.406 18.588 19.000 -0.010 0.000 0.979 1079 A HN 2.723 nan 8.150 nan 0.000 0.508 1080 G N 1.390 110.200 108.800 0.017 0.000 2.339 1080 G HA2 -0.166 3.795 3.960 0.001 0.000 0.209 1080 G HA3 -0.166 3.795 3.960 0.001 0.000 0.209 1080 G C 0.104 175.014 174.900 0.017 0.000 1.015 1080 G CA 0.035 45.133 45.100 -0.002 0.000 0.635 1080 G HN 0.825 nan 8.290 nan 0.000 0.499 1081 I N 3.616 124.224 120.570 0.062 0.000 2.316 1081 I HA 0.452 4.623 4.170 0.001 0.000 0.286 1081 I C -0.207 175.911 176.117 0.001 0.000 1.107 1081 I CA -0.622 60.740 61.300 0.104 0.000 1.219 1081 I CB -0.316 37.805 38.000 0.201 0.000 1.455 1081 I HN 0.459 nan 8.210 nan 0.000 0.498 1082 D N 5.828 126.021 120.400 -0.344 0.000 2.652 1082 D HA 0.430 5.070 4.640 0.001 0.000 0.285 1082 D C -2.617 172.917 176.300 -1.278 0.000 1.173 1082 D CA -1.957 51.339 54.000 -1.174 0.000 0.981 1082 D CB 0.656 40.855 40.800 -1.002 0.000 1.440 1082 D HN -0.150 nan 8.370 nan 0.000 0.485 1083 P HA 0.006 nan 4.420 nan 0.000 0.231 1083 P C 0.835 177.869 177.300 -0.443 0.000 1.154 1083 P CA 0.949 63.488 63.100 -0.936 0.000 0.762 1083 P CB 0.105 31.380 31.700 -0.710 0.000 0.790 1084 L N -2.423 118.569 121.223 -0.384 0.000 2.529 1084 L HA 0.125 4.465 4.340 0.001 0.000 0.223 1084 L C 0.990 177.777 176.870 -0.138 0.000 1.113 1084 L CA 0.408 55.122 54.840 -0.210 0.000 0.861 1084 L CB -0.144 41.814 42.059 -0.169 0.000 1.012 1084 L HN -0.107 nan 8.230 nan 0.000 0.461 1085 N N -0.339 118.280 118.700 -0.135 0.000 2.818 1085 N HA 0.045 4.785 4.740 0.001 0.000 0.301 1085 N C 1.193 176.723 175.510 0.034 0.000 1.821 1085 N CA 0.197 53.252 53.050 0.008 0.000 0.930 1085 N CB 0.438 38.928 38.487 0.006 0.000 1.263 1085 N HN 0.088 nan 8.380 nan 0.000 0.487 1086 S N 0.186 115.923 115.700 0.061 0.000 2.412 1086 S HA -0.333 4.138 4.470 0.001 0.000 0.246 1086 S C 1.581 176.096 174.600 -0.142 0.000 1.073 1086 S CA 1.983 60.202 58.200 0.033 0.000 1.186 1086 S CB -0.590 62.658 63.200 0.079 0.000 1.084 1086 S HN 0.543 nan 8.310 nan 0.000 0.434 1087 D N 2.858 122.911 120.400 -0.579 0.000 2.097 1087 D HA 0.022 4.662 4.640 0.001 0.000 0.197 1087 D C -0.630 175.400 176.300 -0.450 0.000 0.984 1087 D CA 1.063 54.569 54.000 -0.824 0.000 0.826 1087 D CB -1.010 38.689 40.800 -1.833 0.000 0.973 1087 D HN 0.367 nan 8.370 nan 0.000 0.460 1088 P HA -0.103 nan 4.420 nan 0.000 0.215 1088 P C 1.248 178.592 177.300 0.074 0.000 1.157 1088 P CA 0.896 64.009 63.100 0.022 0.000 0.868 1088 P CB -0.182 31.564 31.700 0.077 0.000 0.788 1089 F N 0.246 120.122 119.950 -0.124 0.000 2.046 1089 F HA -0.184 4.343 4.527 0.001 0.000 0.297 1089 F C 2.050 177.767 175.800 -0.138 0.000 1.123 1089 F CA 1.560 59.481 58.000 -0.132 0.000 1.199 1089 F CB -1.151 37.735 39.000 -0.190 0.000 0.972 1089 F HN -0.267 nan 8.300 nan 0.000 0.474 1090 L N -0.059 121.034 121.223 -0.216 0.000 2.079 1090 L HA -0.253 4.088 4.340 0.001 0.000 0.210 1090 L C 2.549 179.222 176.870 -0.328 0.000 1.081 1090 L CA 1.222 55.879 54.840 -0.305 0.000 0.752 1090 L CB -0.730 41.225 42.059 -0.172 0.000 0.896 1090 L HN 0.075 nan 8.230 nan 0.000 0.433 1091 K N -0.467 119.771 120.400 -0.269 0.000 2.057 1091 K HA -0.162 4.158 4.320 0.001 0.000 0.206 1091 K C 2.044 178.438 176.600 -0.344 0.000 1.050 1091 K CA 1.312 57.414 56.287 -0.309 0.000 0.935 1091 K CB -0.349 31.971 32.500 -0.300 0.000 0.715 1091 K HN 0.164 nan 8.250 nan 0.000 0.439 1092 M N 0.994 120.415 119.600 -0.298 0.000 2.080 1092 M HA -0.135 4.346 4.480 0.001 0.000 0.260 1092 M C 1.881 177.967 176.300 -0.357 0.000 1.068 1092 M CA 1.562 56.694 55.300 -0.280 0.000 1.109 1092 M CB -0.466 32.017 32.600 -0.195 0.000 1.342 1092 M HN -0.122 nan 8.290 nan 0.000 0.405 1093 V N 0.054 119.674 119.914 -0.491 0.000 2.358 1093 V HA -0.198 3.922 4.120 0.001 0.000 0.246 1093 V C 2.506 178.389 176.094 -0.352 0.000 1.047 1093 V CA 1.922 63.944 62.300 -0.463 0.000 1.035 1093 V CB -1.324 30.131 31.823 -0.613 0.000 0.658 1093 V HN 0.742 nan 8.190 nan 0.000 0.452 1094 S N -0.390 115.106 115.700 -0.341 0.000 2.377 1094 S HA -0.082 4.388 4.470 0.001 0.000 0.223 1094 S C 1.923 176.323 174.600 -0.333 0.000 1.030 1094 S CA 1.306 59.323 58.200 -0.305 0.000 0.970 1094 S CB -0.280 62.750 63.200 -0.283 0.000 0.830 1094 S HN 0.282 nan 8.310 nan 0.000 0.473 1095 V N 1.691 121.394 119.914 -0.351 0.000 2.488 1095 V HA 0.317 4.437 4.120 0.001 0.000 0.246 1095 V C 1.494 177.402 176.094 -0.311 0.000 1.046 1095 V CA 0.980 63.062 62.300 -0.364 0.000 1.053 1095 V CB -1.540 30.033 31.823 -0.416 0.000 0.679 1095 V HN 0.983 nan 8.190 nan 0.000 0.458 1096 G N 0.766 109.389 108.800 -0.296 0.000 2.675 1096 G HA2 -0.070 3.890 3.960 0.001 0.000 0.686 1096 G HA3 -0.070 3.890 3.960 0.001 0.000 0.686 1096 G C -3.078 171.688 174.900 -0.224 0.000 1.215 1096 G CA -0.487 44.455 45.100 -0.263 0.000 0.777 1096 G HN 0.249 nan 8.290 nan 0.000 0.638 1097 P HA 0.476 nan 4.420 nan 0.000 0.281 1097 P C -0.099 177.134 177.300 -0.112 0.000 1.249 1097 P CA -0.740 62.285 63.100 -0.125 0.000 0.810 1097 P CB 1.290 32.933 31.700 -0.095 0.000 1.008 1098 M N 3.501 123.055 119.600 -0.077 0.000 2.341 1098 M HA 0.115 4.595 4.480 0.001 0.000 0.336 1098 M C -0.184 176.086 176.300 -0.050 0.000 1.489 1098 M CA 0.315 55.562 55.300 -0.088 0.000 1.278 1098 M CB -1.244 31.346 32.600 -0.017 0.000 1.657 1098 M HN 0.219 nan 8.290 nan 0.000 0.455 1099 L N 3.386 124.582 121.223 -0.045 0.000 2.629 1099 L HA 0.215 4.555 4.340 0.001 0.000 0.230 1099 L C 0.500 177.456 176.870 0.144 0.000 1.151 1099 L CA -0.036 54.823 54.840 0.031 0.000 0.924 1099 L CB -0.421 41.680 42.059 0.071 0.000 1.137 1099 L HN 0.736 nan 8.230 nan 0.000 0.457 1100 Q N -0.268 119.582 119.800 0.084 0.000 2.387 1100 Q HA 0.288 4.629 4.340 0.001 0.000 0.273 1100 Q C -0.260 175.837 176.000 0.162 0.000 1.089 1100 Q CA -0.542 55.353 55.803 0.155 0.000 0.824 1100 Q CB 2.149 30.944 28.738 0.094 0.000 1.367 1100 Q HN 0.013 nan 8.270 nan 0.000 0.443 1101 S N 1.232 117.074 115.700 0.236 0.000 2.515 1101 S HA 0.002 4.473 4.470 0.001 0.000 0.285 1101 S C 1.089 175.835 174.600 0.244 0.000 1.265 1101 S CA 0.376 58.704 58.200 0.213 0.000 1.079 1101 S CB 0.381 63.724 63.200 0.237 0.000 0.877 1101 S HN 0.789 nan 8.310 nan 0.000 0.493 1102 T N 3.673 118.381 114.554 0.255 0.000 2.849 1102 T HA -0.180 4.170 4.350 0.001 0.000 0.270 1102 T C 1.757 176.753 174.700 0.492 0.000 1.066 1102 T CA 1.238 63.592 62.100 0.423 0.000 1.130 1102 T CB -0.268 68.868 68.868 0.447 0.000 0.864 1102 T HN 0.676 nan 8.240 nan 0.000 0.481 1103 R N 1.223 121.907 120.500 0.306 0.000 2.066 1103 R HA 0.029 4.369 4.340 0.001 0.000 0.232 1103 R C 2.498 178.957 176.300 0.265 0.000 1.131 1103 R CA 1.088 57.343 56.100 0.258 0.000 0.955 1103 R CB -0.113 30.282 30.300 0.158 0.000 0.851 1103 R HN 0.178 nan 8.270 nan 0.000 0.432 1104 K N -0.498 120.054 120.400 0.253 0.000 2.097 1104 K HA -0.178 4.143 4.320 0.001 0.000 0.205 1104 K C 1.959 178.672 176.600 0.188 0.000 1.050 1104 K CA 1.351 57.769 56.287 0.217 0.000 0.938 1104 K CB -0.562 32.079 32.500 0.235 0.000 0.718 1104 K HN 0.270 nan 8.250 nan 0.000 0.442 1105 Y N 0.817 121.174 120.300 0.096 0.000 2.070 1105 Y HA -0.236 4.315 4.550 0.001 0.000 0.279 1105 Y C 2.052 177.918 175.900 -0.056 0.000 1.134 1105 Y CA 1.680 59.761 58.100 -0.032 0.000 1.113 1105 Y CB -0.625 37.747 38.460 -0.148 0.000 0.981 1105 Y HN -0.101 nan 8.280 nan 0.000 0.487 1106 F N 0.080 120.129 119.950 0.165 0.000 2.333 1106 F HA -0.084 4.444 4.527 0.001 0.000 0.300 1106 F C 2.469 178.250 175.800 -0.031 0.000 1.083 1106 F CA 0.972 59.002 58.000 0.049 0.000 1.395 1106 F CB -0.895 38.207 39.000 0.170 0.000 1.056 1106 F HN 0.181 nan 8.300 nan 0.000 0.529 1107 A N -0.823 122.087 122.820 0.150 0.000 2.121 1107 A HA -0.131 4.190 4.320 0.001 0.000 0.218 1107 A C 1.918 179.500 177.584 -0.002 0.000 1.154 1107 A CA 0.978 53.066 52.037 0.086 0.000 0.679 1107 A CB -0.342 18.722 19.000 0.107 0.000 0.795 1107 A HN 0.232 nan 8.150 nan 0.000 0.458 1108 Q N -0.340 119.404 119.800 -0.094 0.000 2.320 1108 Q HA 0.012 4.352 4.340 0.001 0.000 0.201 1108 Q C 0.984 176.870 176.000 -0.190 0.000 0.910 1108 Q CA 1.211 56.927 55.803 -0.145 0.000 0.946 1108 Q CB -0.240 28.376 28.738 -0.203 0.000 1.062 1108 Q HN 0.767 nan 8.270 nan 0.000 0.503 1109 T N -2.934 111.519 114.554 -0.169 0.000 3.215 1109 T HA 0.512 4.862 4.350 0.001 0.000 0.271 1109 T C 0.325 174.887 174.700 -0.230 0.000 1.012 1109 T CA -0.164 61.832 62.100 -0.174 0.000 0.899 1109 T CB -0.100 68.724 68.868 -0.073 0.000 1.089 1109 T HN -0.055 nan 8.240 nan 0.000 0.552 1110 L N -0.051 121.023 121.223 -0.248 0.000 2.409 1110 L HA 0.552 4.893 4.340 0.001 0.000 0.262 1110 L C 0.021 176.717 176.870 -0.290 0.000 0.992 1110 L CA -1.252 53.407 54.840 -0.302 0.000 0.817 1110 L CB 1.746 43.743 42.059 -0.104 0.000 1.350 1110 L HN -0.068 nan 8.230 nan 0.000 0.411 1111 F N 0.352 120.311 119.950 0.015 0.000 2.569 1111 F HA 0.271 4.798 4.527 0.001 0.000 0.295 1111 F C 0.617 176.424 175.800 0.012 0.000 1.115 1111 F CA 0.419 58.426 58.000 0.011 0.000 1.450 1111 F CB 0.110 39.113 39.000 0.006 0.000 1.107 1111 F HN 0.215 nan 8.300 nan 0.000 0.563 1112 M N -1.295 118.391 119.600 0.142 0.000 2.327 1112 M HA 0.494 4.974 4.480 0.001 0.000 0.298 1112 M C 0.693 177.025 176.300 0.053 0.000 1.065 1112 M CA -0.554 54.802 55.300 0.093 0.000 0.916 1112 M CB 2.304 34.955 32.600 0.085 0.000 1.630 1112 M HN -0.073 nan 8.290 nan 0.000 0.442 1113 A N 3.309 126.159 122.820 0.051 0.000 1.835 1113 A HA 0.150 4.470 4.320 0.001 0.000 0.213 1113 A C 0.691 178.298 177.584 0.039 0.000 1.210 1113 A CA 1.184 53.247 52.037 0.043 0.000 0.605 1113 A CB 0.223 19.249 19.000 0.044 0.000 0.860 1113 A HN 0.735 nan 8.150 nan 0.000 0.447 1114 K N -1.789 118.637 120.400 0.042 0.000 2.295 1114 K HA 0.612 4.932 4.320 0.001 0.000 0.239 1114 K C -0.947 175.670 176.600 0.028 0.000 0.991 1114 K CA -0.388 55.920 56.287 0.035 0.000 0.845 1114 K CB 1.960 34.484 32.500 0.040 0.000 1.197 1114 K HN 0.261 nan 8.250 nan 0.000 0.441 1115 T N -0.506 114.055 114.554 0.013 0.000 2.754 1115 T HA 0.274 4.624 4.350 0.001 0.000 0.296 1115 T C -1.169 173.525 174.700 -0.010 0.000 1.205 1115 T CA -0.624 61.474 62.100 -0.002 0.000 1.009 1115 T CB 1.232 70.092 68.868 -0.013 0.000 1.368 1115 T HN 0.193 nan 8.240 nan 0.000 0.509 1116 V N 2.958 122.856 119.914 -0.027 0.000 2.617 1116 V HA 0.196 4.316 4.120 0.001 0.000 0.304 1116 V C 1.097 177.204 176.094 0.020 0.000 1.040 1116 V CA 0.057 62.347 62.300 -0.016 0.000 1.149 1116 V CB 1.021 32.808 31.823 -0.061 0.000 0.914 1116 V HN 0.934 nan 8.190 nan 0.000 0.487 1117 S N 3.872 119.628 115.700 0.093 0.000 2.563 1117 S HA 0.371 4.842 4.470 0.001 0.000 0.294 1117 S C 1.234 175.957 174.600 0.205 0.000 1.279 1117 S CA 0.788 59.080 58.200 0.153 0.000 1.069 1117 S CB -0.029 63.288 63.200 0.195 0.000 0.828 1117 S HN 1.656 nan 8.310 nan 0.000 0.497 1118 G N 3.812 112.693 108.800 0.135 0.000 2.541 1118 G HA2 -0.147 3.813 3.960 0.001 0.000 0.201 1118 G HA3 -0.147 3.813 3.960 0.001 0.000 0.201 1118 G C -0.083 174.806 174.900 -0.019 0.000 1.026 1118 G CA -0.105 45.033 45.100 0.063 0.000 0.687 1118 G HN 0.697 nan 8.290 nan 0.000 0.492 1119 L N 1.192 122.391 121.223 -0.040 0.000 2.399 1119 L HA 0.619 4.959 4.340 0.001 0.000 0.265 1119 L C -0.591 176.267 176.870 -0.021 0.000 1.089 1119 L CA -0.831 53.980 54.840 -0.049 0.000 0.802 1119 L CB 1.376 43.391 42.059 -0.074 0.000 1.180 1119 L HN 0.133 nan 8.230 nan 0.000 0.454 1120 D N 0.261 120.647 120.400 -0.023 0.000 2.349 1120 D HA 0.191 4.832 4.640 0.001 0.000 0.232 1120 D C 0.810 177.102 176.300 -0.014 0.000 1.071 1120 D CA -0.458 53.534 54.000 -0.013 0.000 0.832 1120 D CB 2.073 42.867 40.800 -0.010 0.000 1.086 1120 D HN 0.222 nan 8.370 nan 0.000 0.504 1121 V N 4.011 123.920 119.914 -0.008 0.000 2.380 1121 V HA -0.252 3.868 4.120 0.001 0.000 0.251 1121 V C 1.977 178.067 176.094 -0.007 0.000 1.063 1121 V CA 1.324 63.623 62.300 -0.003 0.000 1.055 1121 V CB -0.479 31.346 31.823 0.003 0.000 0.657 1121 V HN 0.567 nan 8.190 nan 0.000 0.455 1122 N N 0.322 119.014 118.700 -0.013 0.000 2.354 1122 N HA 0.015 4.755 4.740 0.001 0.000 0.179 1122 N C 1.876 177.381 175.510 -0.009 0.000 1.021 1122 N CA 1.396 54.435 53.050 -0.018 0.000 0.887 1122 N CB -0.129 38.343 38.487 -0.026 0.000 0.974 1122 N HN 0.553 nan 8.380 nan 0.000 0.437 1123 A N 1.491 124.306 122.820 -0.008 0.000 1.854 1123 A HA -0.008 4.312 4.320 0.001 0.000 0.214 1123 A C 2.271 179.851 177.584 -0.006 0.000 1.192 1123 A CA 0.701 52.734 52.037 -0.005 0.000 0.611 1123 A CB -0.624 18.366 19.000 -0.016 0.000 0.832 1123 A HN 0.143 nan 8.150 nan 0.000 0.442 1124 I N -0.130 120.434 120.570 -0.010 0.000 2.208 1124 I HA -0.294 3.876 4.170 0.001 0.000 0.245 1124 I C 2.243 178.383 176.117 0.039 0.000 1.097 1124 I CA 2.049 63.348 61.300 -0.002 0.000 1.363 1124 I CB -0.508 37.491 38.000 -0.002 0.000 1.051 1124 I HN 0.385 nan 8.210 nan 0.000 0.413 1125 D N 0.044 120.468 120.400 0.039 0.000 2.144 1125 D HA -0.199 4.442 4.640 0.001 0.000 0.199 1125 D C 2.282 178.619 176.300 0.061 0.000 0.984 1125 D CA 1.347 55.381 54.000 0.057 0.000 0.834 1125 D CB 0.106 40.881 40.800 -0.042 0.000 0.955 1125 D HN 0.113 nan 8.370 nan 0.000 0.465 1126 S N -1.236 114.484 115.700 0.032 0.000 2.387 1126 S HA -0.036 4.434 4.470 0.001 0.000 0.226 1126 S C 1.996 176.623 174.600 0.046 0.000 1.026 1126 S CA 1.091 59.313 58.200 0.036 0.000 0.972 1126 S CB -0.340 62.882 63.200 0.038 0.000 0.814 1126 S HN 0.362 nan 8.310 nan 0.000 0.477 1127 A N 1.374 124.217 122.820 0.039 0.000 1.902 1127 A HA 0.050 4.371 4.320 0.001 0.000 0.217 1127 A C 2.128 179.750 177.584 0.065 0.000 1.181 1127 A CA 1.360 53.421 52.037 0.039 0.000 0.623 1127 A CB -0.782 18.216 19.000 -0.004 0.000 0.818 1127 A HN 0.550 nan 8.150 nan 0.000 0.443 1128 L N -0.778 120.493 121.223 0.079 0.000 2.046 1128 L HA -0.155 4.185 4.340 0.001 0.000 0.208 1128 L C 2.532 179.455 176.870 0.088 0.000 1.077 1128 L CA 1.090 55.985 54.840 0.090 0.000 0.747 1128 L CB -0.494 41.639 42.059 0.124 0.000 0.896 1128 L HN 0.340 nan 8.230 nan 0.000 0.432 1129 L N -0.983 120.311 121.223 0.119 0.000 2.109 1129 L HA -0.131 4.209 4.340 0.001 0.000 0.207 1129 L C 2.830 179.695 176.870 -0.008 0.000 1.086 1129 L CA 0.982 55.873 54.840 0.085 0.000 0.760 1129 L CB -0.382 41.738 42.059 0.102 0.000 0.910 1129 L HN 0.161 nan 8.230 nan 0.000 0.437 1130 R N -0.038 120.459 120.500 -0.005 0.000 2.073 1130 R HA -0.122 4.218 4.340 0.001 0.000 0.234 1130 R C 2.313 178.586 176.300 -0.045 0.000 1.134 1130 R CA 1.213 57.285 56.100 -0.047 0.000 0.952 1130 R CB -0.403 29.898 30.300 0.002 0.000 0.850 1130 R HN 0.299 nan 8.270 nan 0.000 0.433 1131 L N 0.165 121.395 121.223 0.011 0.000 2.042 1131 L HA -0.224 4.116 4.340 0.001 0.000 0.210 1131 L C 2.808 179.666 176.870 -0.019 0.000 1.076 1131 L CA 1.437 56.286 54.840 0.016 0.000 0.749 1131 L CB -0.423 41.681 42.059 0.074 0.000 0.893 1131 L HN 0.220 nan 8.230 nan 0.000 0.432 1132 R N -0.389 120.099 120.500 -0.020 0.000 2.081 1132 R HA -0.143 4.197 4.340 0.001 0.000 0.235 1132 R C 2.134 178.397 176.300 -0.061 0.000 1.131 1132 R CA 1.912 57.996 56.100 -0.027 0.000 0.960 1132 R CB -0.174 30.121 30.300 -0.009 0.000 0.856 1132 R HN 0.263 nan 8.270 nan 0.000 0.436 1133 T N 1.066 115.531 114.554 -0.148 0.000 2.904 1133 T HA -0.012 4.338 4.350 0.001 0.000 0.267 1133 T C 1.418 175.990 174.700 -0.213 0.000 1.059 1133 T CA 0.740 62.648 62.100 -0.320 0.000 1.137 1133 T CB 0.048 68.506 68.868 -0.683 0.000 0.879 1133 T HN 0.195 nan 8.240 nan 0.000 0.467 1134 L N 0.850 121.994 121.223 -0.132 0.000 2.645 1134 L HA 0.258 4.599 4.340 0.001 0.000 0.235 1134 L C 1.762 178.616 176.870 -0.027 0.000 1.150 1134 L CA 0.044 54.845 54.840 -0.066 0.000 0.911 1134 L CB -0.622 41.405 42.059 -0.054 0.000 1.077 1134 L HN 0.454 nan 8.230 nan 0.000 0.438 1135 G N 0.196 108.985 108.800 -0.018 0.000 2.168 1135 G HA2 -0.320 3.641 3.960 0.001 0.000 0.257 1135 G HA3 -0.320 3.641 3.960 0.001 0.000 0.257 1135 G C 0.535 175.431 174.900 -0.008 0.000 0.997 1135 G CA 0.206 45.308 45.100 0.003 0.000 0.708 1135 G HN 0.549 nan 8.290 nan 0.000 0.520 1136 A N -0.424 122.384 122.820 -0.021 0.000 2.448 1136 A HA 0.496 4.816 4.320 0.001 0.000 0.239 1136 A C 0.530 178.107 177.584 -0.010 0.000 1.080 1136 A CA 0.852 52.873 52.037 -0.026 0.000 0.779 1136 A CB 0.267 19.247 19.000 -0.034 0.000 1.026 1136 A HN 0.803 nan 8.150 nan 0.000 0.499 1137 D N -0.283 120.117 120.400 0.000 0.000 2.264 1137 D HA 0.185 4.825 4.640 0.001 0.000 0.249 1137 D C 1.220 177.504 176.300 -0.027 0.000 1.070 1137 D CA -0.211 53.790 54.000 0.002 0.000 0.912 1137 D CB 0.936 41.762 40.800 0.044 0.000 1.193 1137 D HN 0.530 nan 8.370 nan 0.000 0.427 1138 K N 2.235 122.606 120.400 -0.048 0.000 2.032 1138 K HA -0.310 4.011 4.320 0.001 0.000 0.218 1138 K C 1.475 178.014 176.600 -0.102 0.000 1.054 1138 K CA 1.795 58.041 56.287 -0.070 0.000 0.941 1138 K CB -0.001 32.453 32.500 -0.076 0.000 0.720 1138 K HN 0.416 nan 8.250 nan 0.000 0.449 1139 K N -0.246 120.041 120.400 -0.188 0.000 2.189 1139 K HA -0.240 4.081 4.320 0.001 0.000 0.207 1139 K C 2.130 178.616 176.600 -0.191 0.000 1.046 1139 K CA 1.546 57.628 56.287 -0.343 0.000 0.928 1139 K CB -0.285 31.688 32.500 -0.879 0.000 0.720 1139 K HN 0.354 nan 8.250 nan 0.000 0.458 1140 A N 1.013 123.799 122.820 -0.056 0.000 1.898 1140 A HA -0.129 4.191 4.320 0.001 0.000 0.216 1140 A C 2.081 179.747 177.584 0.137 0.000 1.181 1140 A CA 1.180 53.254 52.037 0.062 0.000 0.620 1140 A CB -0.369 18.635 19.000 0.006 0.000 0.819 1140 A HN 0.103 nan 8.150 nan 0.000 0.442 1141 L N -0.254 121.003 121.223 0.057 0.000 2.056 1141 L HA -0.113 4.227 4.340 0.001 0.000 0.207 1141 L C 2.711 179.598 176.870 0.029 0.000 1.078 1141 L CA 2.288 57.159 54.840 0.052 0.000 0.749 1141 L CB -0.994 41.056 42.059 -0.015 0.000 0.901 1141 L HN 0.360 nan 8.230 nan 0.000 0.433 1142 T N -0.562 113.984 114.554 -0.013 0.000 2.759 1142 T HA -0.227 4.123 4.350 0.001 0.000 0.269 1142 T C 1.962 176.668 174.700 0.010 0.000 1.042 1142 T CA 1.274 63.357 62.100 -0.029 0.000 1.140 1142 T CB -0.387 68.438 68.868 -0.072 0.000 0.864 1142 T HN 0.433 nan 8.240 nan 0.000 0.455 1143 A N 1.156 124.022 122.820 0.077 0.000 1.930 1143 A HA -0.130 4.190 4.320 0.001 0.000 0.217 1143 A C 2.290 179.935 177.584 0.102 0.000 1.175 1143 A CA 1.825 53.954 52.037 0.155 0.000 0.627 1143 A CB -0.680 18.530 19.000 0.350 0.000 0.815 1143 A HN 0.434 nan 8.150 nan 0.000 0.443 1144 Q N 0.220 120.083 119.800 0.105 0.000 2.050 1144 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 1144 Q C 1.835 177.776 176.000 -0.098 0.000 0.980 1144 Q CA 1.881 57.635 55.803 -0.081 0.000 0.840 1144 Q CB -0.574 28.146 28.738 -0.031 0.000 0.898 1144 Q HN 0.641 nan 8.270 nan 0.000 0.424 1145 L N -0.262 120.933 121.223 -0.046 0.000 2.079 1145 L HA -0.185 4.155 4.340 0.001 0.000 0.210 1145 L C 2.353 179.182 176.870 -0.068 0.000 1.081 1145 L CA 0.927 55.736 54.840 -0.051 0.000 0.752 1145 L CB -0.504 41.534 42.059 -0.034 0.000 0.896 1145 L HN 0.274 nan 8.230 nan 0.000 0.433 1146 L N -1.051 120.134 121.223 -0.064 0.000 2.156 1146 L HA -0.159 4.181 4.340 0.001 0.000 0.208 1146 L C 2.523 179.310 176.870 -0.138 0.000 1.095 1146 L CA 1.086 55.881 54.840 -0.076 0.000 0.770 1146 L CB -0.271 41.760 42.059 -0.047 0.000 0.914 1146 L HN 0.295 nan 8.230 nan 0.000 0.439 1147 M N -0.572 118.921 119.600 -0.178 0.000 2.557 1147 M HA -0.067 4.413 4.480 0.001 0.000 0.259 1147 M C 1.485 177.616 176.300 -0.282 0.000 1.086 1147 M CA 0.925 56.051 55.300 -0.289 0.000 1.096 1147 M CB 0.032 32.426 32.600 -0.343 0.000 1.424 1147 M HN 0.259 nan 8.290 nan 0.000 0.488 1148 V N -4.188 115.610 119.914 -0.194 0.000 3.376 1148 V HA 0.591 4.711 4.120 0.001 0.000 0.313 1148 V C 0.908 176.932 176.094 -0.116 0.000 1.393 1148 V CA 0.438 62.644 62.300 -0.157 0.000 1.125 1148 V CB -0.283 31.469 31.823 -0.118 0.000 1.037 1148 V HN 0.566 nan 8.190 nan 0.000 0.440 1149 G N 0.242 108.973 108.800 -0.116 0.000 2.211 1149 G HA2 -0.170 3.791 3.960 0.001 0.000 0.201 1149 G HA3 -0.170 3.791 3.960 0.001 0.000 0.201 1149 G C -0.324 174.552 174.900 -0.040 0.000 0.997 1149 G CA -0.087 44.969 45.100 -0.074 0.000 0.652 1149 G HN 0.418 nan 8.290 nan 0.000 0.500 1150 L N 1.505 122.705 121.223 -0.039 0.000 2.439 1150 L HA 0.450 4.790 4.340 0.001 0.000 0.269 1150 L C 0.992 177.852 176.870 -0.017 0.000 1.179 1150 L CA -0.045 54.783 54.840 -0.019 0.000 0.828 1150 L CB 0.904 42.951 42.059 -0.020 0.000 1.106 1150 L HN 0.297 nan 8.230 nan 0.000 0.467 1151 Q N 1.904 121.702 119.800 -0.004 0.000 2.288 1151 Q HA 0.050 4.391 4.340 0.001 0.000 0.254 1151 Q C 0.732 176.726 176.000 -0.008 0.000 0.932 1151 Q CA -0.073 55.729 55.803 -0.001 0.000 0.902 1151 Q CB 0.984 29.729 28.738 0.011 0.000 1.203 1151 Q HN 0.680 nan 8.270 nan 0.000 0.415 1152 E N 1.379 121.572 120.200 -0.010 0.000 2.108 1152 E HA -0.266 4.085 4.350 0.001 0.000 0.203 1152 E C 1.709 178.298 176.600 -0.019 0.000 1.022 1152 E CA 2.032 58.422 56.400 -0.017 0.000 0.823 1152 E CB 0.151 29.842 29.700 -0.015 0.000 0.744 1152 E HN 0.633 nan 8.360 nan 0.000 0.456 1153 S N 0.788 116.481 115.700 -0.012 0.000 2.359 1153 S HA -0.232 4.239 4.470 0.001 0.000 0.223 1153 S C 1.841 176.431 174.600 -0.015 0.000 1.039 1153 S CA 1.454 59.646 58.200 -0.012 0.000 1.042 1153 S CB -0.332 62.866 63.200 -0.004 0.000 0.915 1153 S HN 0.315 nan 8.310 nan 0.000 0.439 1154 E N 1.250 121.443 120.200 -0.011 0.000 2.051 1154 E HA -0.096 4.255 4.350 0.001 0.000 0.192 1154 E C 2.467 179.053 176.600 -0.023 0.000 0.991 1154 E CA 0.935 57.328 56.400 -0.012 0.000 0.799 1154 E CB -0.326 29.372 29.700 -0.003 0.000 0.748 1154 E HN 0.505 nan 8.360 nan 0.000 0.449 1155 A N 1.767 124.572 122.820 -0.025 0.000 1.873 1155 A HA -0.298 4.022 4.320 0.001 0.000 0.218 1155 A C 1.952 179.507 177.584 -0.048 0.000 1.193 1155 A CA 2.198 54.214 52.037 -0.035 0.000 0.629 1155 A CB -0.752 18.229 19.000 -0.033 0.000 0.826 1155 A HN 0.275 nan 8.150 nan 0.000 0.447 1156 D N -0.773 119.599 120.400 -0.046 0.000 2.178 1156 D HA 0.014 4.655 4.640 0.001 0.000 0.201 1156 D C 1.949 178.215 176.300 -0.056 0.000 0.980 1156 D CA 1.514 55.480 54.000 -0.056 0.000 0.842 1156 D CB -0.146 40.624 40.800 -0.051 0.000 0.948 1156 D HN 0.367 nan 8.370 nan 0.000 0.472 1157 A N 0.024 122.816 122.820 -0.047 0.000 1.855 1157 A HA -0.046 4.275 4.320 0.001 0.000 0.215 1157 A C 2.116 179.660 177.584 -0.065 0.000 1.191 1157 A CA 1.247 53.257 52.037 -0.046 0.000 0.613 1157 A CB -1.000 17.982 19.000 -0.030 0.000 0.829 1157 A HN 0.367 nan 8.150 nan 0.000 0.442 1158 L N -0.086 121.095 121.223 -0.070 0.000 2.046 1158 L HA -0.047 4.293 4.340 0.001 0.000 0.208 1158 L C 2.639 179.408 176.870 -0.169 0.000 1.077 1158 L CA 2.207 56.980 54.840 -0.112 0.000 0.747 1158 L CB -0.857 41.151 42.059 -0.086 0.000 0.896 1158 L HN 0.356 nan 8.230 nan 0.000 0.432 1159 A N -0.445 122.298 122.820 -0.128 0.000 1.883 1159 A HA -0.118 4.202 4.320 0.001 0.000 0.217 1159 A C 2.348 179.854 177.584 -0.131 0.000 1.186 1159 A CA 1.719 53.677 52.037 -0.132 0.000 0.624 1159 A CB -1.636 17.311 19.000 -0.089 0.000 0.822 1159 A HN 0.534 nan 8.150 nan 0.000 0.444 1160 G N -0.650 108.089 108.800 -0.102 0.000 2.422 1160 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 1160 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 1160 G C 1.627 176.471 174.900 -0.093 0.000 1.140 1160 G CA 1.208 46.258 45.100 -0.084 0.000 0.775 1160 G HN 0.604 nan 8.290 nan 0.000 0.545 1161 K N 0.137 120.468 120.400 -0.115 0.000 2.001 1161 K HA 0.040 4.361 4.320 0.001 0.000 0.208 1161 K C 2.465 178.958 176.600 -0.178 0.000 1.048 1161 K CA 0.869 57.085 56.287 -0.118 0.000 0.932 1161 K CB -0.271 32.161 32.500 -0.113 0.000 0.715 1161 K HN 0.319 nan 8.250 nan 0.000 0.437 1162 I N 1.210 121.586 120.570 -0.324 0.000 2.151 1162 I HA -0.343 3.828 4.170 0.001 0.000 0.243 1162 I C 2.437 178.438 176.117 -0.194 0.000 1.080 1162 I CA 1.128 62.151 61.300 -0.462 0.000 1.339 1162 I CB -0.262 37.364 38.000 -0.624 0.000 1.039 1162 I HN 0.306 nan 8.210 nan 0.000 0.409 1163 M N -0.115 119.405 119.600 -0.134 0.000 2.144 1163 M HA -0.197 4.284 4.480 0.001 0.000 0.260 1163 M C 2.119 178.403 176.300 -0.027 0.000 1.067 1163 M CA 1.850 57.112 55.300 -0.063 0.000 1.095 1163 M CB -0.869 31.698 32.600 -0.054 0.000 1.365 1163 M HN 0.304 nan 8.290 nan 0.000 0.406 1164 L N -1.165 120.039 121.223 -0.031 0.000 2.640 1164 L HA 0.135 4.475 4.340 0.001 0.000 0.230 1164 L C 1.122 178.002 176.870 0.016 0.000 1.123 1164 L CA -0.260 54.578 54.840 -0.003 0.000 0.900 1164 L CB -0.143 41.911 42.059 -0.008 0.000 1.146 1164 L HN 0.315 nan 8.230 nan 0.000 0.484 1165 Q N 0.732 120.544 119.800 0.019 0.000 2.354 1165 Q HA 0.043 4.383 4.340 0.001 0.000 0.244 1165 Q C -0.606 175.444 176.000 0.085 0.000 0.969 1165 Q CA -0.110 55.730 55.803 0.061 0.000 0.885 1165 Q CB 1.011 29.809 28.738 0.101 0.000 1.241 1165 Q HN 0.035 nan 8.270 nan 0.000 0.461 1166 D N 2.880 123.330 120.400 0.084 0.000 2.467 1166 D HA 0.197 4.837 4.640 0.001 0.000 0.220 1166 D C -0.987 175.369 176.300 0.093 0.000 1.103 1166 D CA -0.121 53.928 54.000 0.080 0.000 0.886 1166 D CB 1.122 41.957 40.800 0.058 0.000 1.025 1166 D HN 0.280 nan 8.370 nan 0.000 0.514 1167 V N 3.616 123.599 119.914 0.115 0.000 2.555 1167 V HA 0.045 4.165 4.120 0.001 0.000 0.286 1167 V C 1.101 177.233 176.094 0.063 0.000 1.044 1167 V CA -0.653 61.711 62.300 0.106 0.000 1.026 1167 V CB 1.126 33.033 31.823 0.140 0.000 0.981 1167 V HN 0.456 nan 8.190 nan 0.000 0.480 1168 N N 3.194 121.912 118.700 0.031 0.000 2.444 1168 N HA 0.015 4.755 4.740 0.001 0.000 0.255 1168 N C 1.173 176.701 175.510 0.030 0.000 1.255 1168 N CA 0.106 53.169 53.050 0.023 0.000 0.933 1168 N CB 1.190 39.677 38.487 0.001 0.000 1.143 1168 N HN 0.695 nan 8.380 nan 0.000 0.453 1169 T N 1.845 116.413 114.554 0.024 0.000 2.565 1169 T HA -0.179 4.172 4.350 0.001 0.000 0.265 1169 T C 1.892 176.637 174.700 0.074 0.000 1.082 1169 T CA 1.766 63.861 62.100 -0.007 0.000 1.173 1169 T CB -0.301 68.468 68.868 -0.166 0.000 0.864 1169 T HN 0.428 nan 8.240 nan 0.000 0.425 1170 V N 1.370 121.371 119.914 0.144 0.000 2.332 1170 V HA -0.242 3.879 4.120 0.001 0.000 0.248 1170 V C 2.599 178.786 176.094 0.155 0.000 1.055 1170 V CA 2.277 64.757 62.300 0.301 0.000 1.038 1170 V CB -0.692 31.382 31.823 0.418 0.000 0.651 1170 V HN 0.539 nan 8.190 nan 0.000 0.450 1171 Q N -0.836 118.995 119.800 0.052 0.000 2.083 1171 Q HA -0.187 4.154 4.340 0.001 0.000 0.198 1171 Q C 2.188 178.166 176.000 -0.036 0.000 0.969 1171 Q CA 1.540 57.325 55.803 -0.029 0.000 0.838 1171 Q CB -0.126 28.537 28.738 -0.126 0.000 0.900 1171 Q HN 0.526 nan 8.270 nan 0.000 0.436 1172 L N 0.547 121.768 121.223 -0.003 0.000 2.141 1172 L HA 0.039 4.380 4.340 0.001 0.000 0.209 1172 L C 2.088 178.934 176.870 -0.040 0.000 1.094 1172 L CA 1.771 56.618 54.840 0.011 0.000 0.763 1172 L CB -0.639 41.459 42.059 0.065 0.000 0.908 1172 L HN 0.279 nan 8.230 nan 0.000 0.437 1173 A N -0.989 121.772 122.820 -0.099 0.000 2.216 1173 A HA -0.137 4.183 4.320 0.001 0.000 0.214 1173 A C 2.248 179.646 177.584 -0.309 0.000 1.160 1173 A CA 0.859 52.721 52.037 -0.291 0.000 0.725 1173 A CB -0.618 17.982 19.000 -0.667 0.000 0.784 1173 A HN 0.451 nan 8.150 nan 0.000 0.472 1174 R N -0.360 120.034 120.500 -0.176 0.000 2.235 1174 R HA -0.064 4.277 4.340 0.001 0.000 0.213 1174 R C 1.954 178.207 176.300 -0.078 0.000 1.059 1174 R CA 1.237 57.259 56.100 -0.130 0.000 0.997 1174 R CB -0.511 29.746 30.300 -0.071 0.000 0.884 1174 R HN 0.609 nan 8.270 nan 0.000 0.462 1175 V N -1.998 117.872 119.914 -0.073 0.000 2.867 1175 V HA -0.064 4.056 4.120 0.001 0.000 0.260 1175 V C 1.507 177.605 176.094 0.006 0.000 1.099 1175 V CA 1.374 63.658 62.300 -0.027 0.000 1.122 1175 V CB -0.021 31.749 31.823 -0.088 0.000 0.708 1175 V HN 0.086 nan 8.190 nan 0.000 0.490 1176 V N 1.198 121.029 119.914 -0.138 0.000 3.159 1176 V HA 0.401 4.521 4.120 0.001 0.000 0.333 1176 V C 0.720 176.603 176.094 -0.351 0.000 1.424 1176 V CA 0.416 62.527 62.300 -0.316 0.000 1.125 1176 V CB -0.908 30.675 31.823 -0.400 0.000 1.075 1176 V HN 0.800 nan 8.190 nan 0.000 0.482 1177 N N 0.354 118.948 118.700 -0.176 0.000 2.741 1177 N HA -0.169 4.571 4.740 0.001 0.000 0.250 1177 N C -0.243 175.139 175.510 -0.213 0.000 1.115 1177 N CA 0.943 53.914 53.050 -0.131 0.000 0.724 1177 N CB -1.513 36.951 38.487 -0.039 0.000 1.090 1177 N HN 0.469 nan 8.380 nan 0.000 0.558 1178 L N 0.276 121.280 121.223 -0.365 0.000 2.305 1178 L HA 0.616 4.956 4.340 0.001 0.000 0.281 1178 L C 0.765 177.328 176.870 -0.512 0.000 1.085 1178 L CA -0.342 54.167 54.840 -0.553 0.000 0.813 1178 L CB 1.287 42.723 42.059 -1.037 0.000 1.157 1178 L HN 0.195 nan 8.230 nan 0.000 0.436 1179 A N 3.266 125.921 122.820 -0.275 0.000 2.386 1179 A HA 0.647 4.967 4.320 0.001 0.000 0.311 1179 A C -0.621 177.013 177.584 0.082 0.000 1.068 1179 A CA -0.580 51.408 52.037 -0.081 0.000 0.743 1179 A CB 1.583 20.509 19.000 -0.123 0.000 1.258 1179 A HN 0.352 nan 8.150 nan 0.000 0.429 1180 V N 3.292 123.312 119.914 0.176 0.000 2.493 1180 V HA 0.104 4.224 4.120 0.001 0.000 0.292 1180 V C -1.963 173.940 176.094 -0.319 0.000 1.016 1180 V CA -0.352 61.920 62.300 -0.046 0.000 1.097 1180 V CB 0.115 31.879 31.823 -0.098 0.000 0.947 1180 V HN 0.750 nan 8.190 nan 0.000 0.479 1181 P HA 0.089 nan 4.420 nan 0.000 0.266 1181 P C 0.309 177.402 177.300 -0.344 0.000 1.195 1181 P CA -0.020 62.710 63.100 -0.616 0.000 0.768 1181 P CB 0.585 31.587 31.700 -1.164 0.000 0.838 1182 D N 0.655 120.907 120.400 -0.247 0.000 2.149 1182 D HA -0.157 4.484 4.640 0.001 0.000 0.198 1182 D C 1.802 178.161 176.300 0.098 0.000 0.990 1182 D CA 1.938 55.870 54.000 -0.114 0.000 0.839 1182 D CB -0.526 40.172 40.800 -0.170 0.000 0.948 1182 D HN 0.469 nan 8.370 nan 0.000 0.460 1183 T N -2.400 112.210 114.554 0.093 0.000 2.929 1183 T HA -0.181 4.170 4.350 0.001 0.000 0.271 1183 T C 1.548 176.580 174.700 0.552 0.000 1.085 1183 T CA 0.686 62.964 62.100 0.297 0.000 1.125 1183 T CB -0.425 68.592 68.868 0.247 0.000 0.874 1183 T HN 0.164 nan 8.240 nan 0.000 0.494 1184 W N 1.072 122.439 121.300 0.111 0.000 2.658 1184 W HA 0.405 5.065 4.660 0.001 0.000 0.263 1184 W C 2.105 178.666 176.519 0.071 0.000 1.274 1184 W CA -0.912 56.450 57.345 0.028 0.000 1.343 1184 W CB -0.840 28.558 29.460 -0.104 0.000 1.106 1184 W HN 0.167 nan 8.180 nan 0.000 0.615 1185 M N 0.411 120.187 119.600 0.293 0.000 2.252 1185 M HA -0.217 4.264 4.480 0.001 0.000 0.257 1185 M C 1.783 178.241 176.300 0.264 0.000 1.077 1185 M CA 2.093 57.564 55.300 0.285 0.000 1.066 1185 M CB -2.147 30.557 32.600 0.174 0.000 1.380 1185 M HN 0.162 nan 8.290 nan 0.000 0.412 1186 S N -1.188 114.640 115.700 0.213 0.000 2.575 1186 S HA 0.297 4.767 4.470 0.001 0.000 0.215 1186 S C 0.705 175.347 174.600 0.069 0.000 0.966 1186 S CA -0.382 57.901 58.200 0.138 0.000 0.911 1186 S CB -0.114 63.178 63.200 0.153 0.000 0.780 1186 S HN 0.374 nan 8.310 nan 0.000 0.514 1187 L N 1.206 122.471 121.223 0.070 0.000 2.332 1187 L HA 0.511 4.851 4.340 0.001 0.000 0.269 1187 L C -0.166 176.660 176.870 -0.073 0.000 1.016 1187 L CA -0.924 53.875 54.840 -0.067 0.000 0.809 1187 L CB 0.880 42.809 42.059 -0.217 0.000 1.280 1187 L HN -0.028 nan 8.230 nan 0.000 0.447 1188 D N 0.793 121.064 120.400 -0.214 0.000 2.608 1188 D HA 0.027 4.667 4.640 0.001 0.000 0.224 1188 D C 0.936 176.998 176.300 -0.397 0.000 1.123 1188 D CA -0.221 53.576 54.000 -0.337 0.000 1.030 1188 D CB 0.045 40.686 40.800 -0.265 0.000 1.093 1188 D HN 0.356 nan 8.370 nan 0.000 0.497 1189 F N 0.216 119.965 119.950 -0.334 0.000 2.293 1189 F HA 0.014 4.542 4.527 0.001 0.000 0.300 1189 F C 1.645 177.133 175.800 -0.519 0.000 1.086 1189 F CA 0.370 58.070 58.000 -0.500 0.000 1.375 1189 F CB -0.592 38.216 39.000 -0.319 0.000 1.045 1189 F HN 0.134 nan 8.300 nan 0.000 0.516 1190 D N 0.512 120.420 120.400 -0.820 0.000 2.144 1190 D HA -0.149 4.492 4.640 0.001 0.000 0.200 1190 D C 2.079 178.278 176.300 -0.168 0.000 0.978 1190 D CA 1.624 55.408 54.000 -0.360 0.000 0.833 1190 D CB -0.080 40.412 40.800 -0.513 0.000 0.961 1190 D HN 0.265 nan 8.370 nan 0.000 0.470 1191 S N -0.588 114.989 115.700 -0.204 0.000 2.368 1191 S HA -0.116 4.355 4.470 0.001 0.000 0.224 1191 S C 1.832 176.434 174.600 0.004 0.000 1.029 1191 S CA 0.905 59.086 58.200 -0.032 0.000 0.988 1191 S CB -0.325 62.883 63.200 0.015 0.000 0.838 1191 S HN 0.382 nan 8.310 nan 0.000 0.462 1192 M N 0.405 119.924 119.600 -0.136 0.000 2.065 1192 M HA -0.160 4.320 4.480 0.001 0.000 0.259 1192 M C 1.515 177.762 176.300 -0.089 0.000 1.069 1192 M CA 1.790 57.001 55.300 -0.149 0.000 1.110 1192 M CB -0.299 32.051 32.600 -0.417 0.000 1.328 1192 M HN 0.245 nan 8.290 nan 0.000 0.405 1193 F N 0.980 120.880 119.950 -0.082 0.000 2.069 1193 F HA -0.218 4.310 4.527 0.001 0.000 0.298 1193 F C 2.384 178.109 175.800 -0.125 0.000 1.113 1193 F CA 1.702 59.648 58.000 -0.089 0.000 1.214 1193 F CB -1.012 37.954 39.000 -0.057 0.000 0.978 1193 F HN 0.156 nan 8.300 nan 0.000 0.474 1194 K N -1.240 119.157 120.400 -0.005 0.000 2.057 1194 K HA -0.110 4.210 4.320 0.001 0.000 0.206 1194 K C 1.453 177.766 176.600 -0.478 0.000 1.050 1194 K CA 1.443 57.549 56.287 -0.300 0.000 0.935 1194 K CB -0.203 31.973 32.500 -0.540 0.000 0.715 1194 K HN 0.356 nan 8.250 nan 0.000 0.439 1195 H N -1.673 117.317 119.070 -0.133 0.000 2.893 1195 H HA 0.169 4.726 4.556 0.001 0.000 0.270 1195 H C 0.412 175.277 175.328 -0.771 0.000 1.095 1195 H CA 0.292 56.096 56.048 -0.407 0.000 1.186 1195 H CB 0.774 30.249 29.762 -0.478 0.000 1.562 1195 H HN 0.236 nan 8.280 nan 0.000 0.536 1196 H N 0.028 119.082 119.070 -0.027 0.000 2.750 1196 H HA 0.297 4.853 4.556 0.001 0.000 0.252 1196 H C -0.266 174.965 175.328 -0.161 0.000 1.176 1196 H CA 0.138 56.123 56.048 -0.105 0.000 0.987 1196 H CB 1.400 31.091 29.762 -0.119 0.000 1.810 1196 H HN -0.061 nan 8.280 nan 0.000 0.630 1197 V N 2.149 122.019 119.914 -0.072 0.000 2.383 1197 V HA 0.123 4.243 4.120 0.001 0.000 0.264 1197 V C -0.301 175.796 176.094 0.005 0.000 1.001 1197 V CA -0.902 61.368 62.300 -0.051 0.000 0.828 1197 V CB 1.046 32.873 31.823 0.007 0.000 1.069 1197 V HN 0.081 nan 8.190 nan 0.000 0.451 1198 K N 2.973 123.301 120.400 -0.120 0.000 2.412 1198 K HA 0.332 4.652 4.320 0.001 0.000 0.284 1198 K C 0.756 177.436 176.600 0.134 0.000 1.046 1198 K CA 0.132 56.379 56.287 -0.068 0.000 0.999 1198 K CB 0.644 32.965 32.500 -0.297 0.000 0.941 1198 K HN 0.477 nan 8.250 nan 0.000 0.474 1199 L N 2.474 123.764 121.223 0.112 0.000 2.592 1199 L HA 0.167 4.508 4.340 0.001 0.000 0.227 1199 L C 0.417 177.310 176.870 0.038 0.000 1.127 1199 L CA -0.043 54.851 54.840 0.091 0.000 0.884 1199 L CB -0.006 42.094 42.059 0.068 0.000 1.065 1199 L HN 0.460 nan 8.230 nan 0.000 0.457 1200 L N 2.344 123.607 121.223 0.067 0.000 2.257 1200 L HA 0.407 4.748 4.340 0.001 0.000 0.290 1200 L C -2.163 174.750 176.870 0.072 0.000 1.044 1200 L CA -1.794 53.071 54.840 0.041 0.000 0.810 1200 L CB 1.296 43.390 42.059 0.057 0.000 1.193 1200 L HN -0.188 nan 8.230 nan 0.000 0.425 1201 P HA -0.076 nan 4.420 nan 0.000 0.264 1201 P C 0.091 177.344 177.300 -0.078 0.000 1.179 1201 P CA 0.239 63.251 63.100 -0.146 0.000 0.763 1201 P CB 0.538 31.855 31.700 -0.638 0.000 0.806 1202 K N 2.626 122.966 120.400 -0.100 0.000 2.160 1202 K HA -0.203 4.117 4.320 0.001 0.000 0.206 1202 K C 0.766 177.240 176.600 -0.210 0.000 1.047 1202 K CA 1.816 57.885 56.287 -0.363 0.000 0.930 1202 K CB -0.141 31.917 32.500 -0.737 0.000 0.720 1202 K HN 0.563 nan 8.250 nan 0.000 0.450 1203 D N -0.872 119.440 120.400 -0.148 0.000 2.491 1203 D HA 0.173 4.813 4.640 0.001 0.000 0.228 1203 D C 0.470 176.732 176.300 -0.064 0.000 1.183 1203 D CA 0.340 54.293 54.000 -0.078 0.000 0.827 1203 D CB 0.105 40.898 40.800 -0.012 0.000 0.989 1203 D HN 0.324 nan 8.370 nan 0.000 0.494 1204 G N 0.411 109.150 108.800 -0.101 0.000 2.592 1204 G HA2 -0.178 3.782 3.960 0.001 0.000 0.684 1204 G HA3 -0.178 3.782 3.960 0.001 0.000 0.684 1204 G C -0.734 174.083 174.900 -0.139 0.000 1.291 1204 G CA -1.087 43.969 45.100 -0.073 0.000 0.891 1204 G HN 0.310 nan 8.290 nan 0.000 0.544 1205 R N 0.331 120.799 120.500 -0.053 0.000 2.570 1205 R HA 0.336 4.676 4.340 0.001 0.000 0.277 1205 R C 0.299 176.656 176.300 0.094 0.000 1.039 1205 R CA 0.341 56.425 56.100 -0.028 0.000 1.065 1205 R CB 0.196 30.501 30.300 0.008 0.000 0.964 1205 R HN 0.642 nan 8.270 nan 0.000 0.428 1206 H N 1.253 120.316 119.070 -0.013 0.000 2.670 1206 H HA 0.163 4.719 4.556 0.001 0.000 0.361 1206 H C 1.035 176.347 175.328 -0.026 0.000 1.169 1206 H CA -0.957 55.079 56.048 -0.020 0.000 1.198 1206 H CB 1.924 31.670 29.762 -0.027 0.000 1.700 1206 H HN 0.361 nan 8.280 nan 0.000 0.542 1207 L N 0.768 122.041 121.223 0.084 0.000 2.027 1207 L HA -0.187 4.153 4.340 0.001 0.000 0.206 1207 L C 1.709 178.586 176.870 0.011 0.000 1.074 1207 L CA 1.002 55.857 54.840 0.024 0.000 0.745 1207 L CB -0.315 41.738 42.059 -0.010 0.000 0.898 1207 L HN 0.629 nan 8.230 nan 0.000 0.433 1208 N N -0.404 118.299 118.700 0.005 0.000 2.223 1208 N HA -0.146 4.594 4.740 0.001 0.000 0.185 1208 N C 1.863 177.367 175.510 -0.011 0.000 1.016 1208 N CA 1.918 54.958 53.050 -0.017 0.000 0.863 1208 N CB -0.535 37.934 38.487 -0.030 0.000 0.983 1208 N HN 0.450 nan 8.380 nan 0.000 0.429 1209 T N -1.903 112.667 114.554 0.027 0.000 3.055 1209 T HA 0.011 4.362 4.350 0.001 0.000 0.265 1209 T C 0.360 175.042 174.700 -0.029 0.000 1.111 1209 T CA 0.002 62.093 62.100 -0.015 0.000 1.118 1209 T CB -0.114 68.744 68.868 -0.016 0.000 0.909 1209 T HN -0.078 nan 8.240 nan 0.000 0.501 1210 D N 1.971 122.363 120.400 -0.013 0.000 2.443 1210 D HA 0.178 4.819 4.640 0.001 0.000 0.239 1210 D C -0.051 176.223 176.300 -0.042 0.000 1.136 1210 D CA -0.180 53.806 54.000 -0.022 0.000 0.879 1210 D CB 0.579 41.373 40.800 -0.011 0.000 1.195 1210 D HN 0.178 nan 8.370 nan 0.000 0.443 1211 I N 3.253 123.792 120.570 -0.050 0.000 2.312 1211 I HA 0.212 4.382 4.170 0.001 0.000 0.290 1211 I C -1.950 174.124 176.117 -0.071 0.000 1.008 1211 I CA -2.482 58.771 61.300 -0.079 0.000 1.226 1211 I CB 0.266 38.209 38.000 -0.094 0.000 1.371 1211 I HN -0.021 nan 8.210 nan 0.000 0.468 1212 P HA 0.079 nan 4.420 nan 0.000 0.265 1212 P C -1.837 175.438 177.300 -0.042 0.000 1.187 1212 P CA -0.587 62.484 63.100 -0.048 0.000 0.766 1212 P CB 0.039 31.714 31.700 -0.043 0.000 0.820 1213 P HA -0.205 nan 4.420 nan 0.000 0.212 1213 P C 1.038 178.352 177.300 0.023 0.000 1.174 1213 P CA 1.755 64.859 63.100 0.007 0.000 0.934 1213 P CB -0.059 31.652 31.700 0.018 0.000 0.791 1214 R N -1.443 119.088 120.500 0.052 0.000 2.339 1214 R HA 0.122 4.462 4.340 0.001 0.000 0.199 1214 R C 1.221 177.618 176.300 0.161 0.000 1.018 1214 R CA 0.577 56.744 56.100 0.112 0.000 1.036 1214 R CB -0.455 29.924 30.300 0.133 0.000 0.899 1214 R HN 0.306 nan 8.270 nan 0.000 0.473 1215 M N 0.028 119.622 119.600 -0.011 0.000 2.989 1215 M HA 0.165 4.645 4.480 0.001 0.000 0.307 1215 M C 1.187 177.142 176.300 -0.574 0.000 1.224 1215 M CA -0.250 54.832 55.300 -0.363 0.000 0.984 1215 M CB 1.320 33.685 32.600 -0.391 0.000 1.264 1215 M HN 0.180 nan 8.290 nan 0.000 0.525 1216 G N 1.061 109.731 108.800 -0.216 0.000 2.432 1216 G HA2 -0.186 3.775 3.960 0.001 0.000 0.219 1216 G HA3 -0.186 3.775 3.960 0.001 0.000 0.219 1216 G C 1.197 176.022 174.900 -0.126 0.000 1.135 1216 G CA 0.315 45.339 45.100 -0.126 0.000 0.767 1216 G HN 0.833 nan 8.290 nan 0.000 0.550 1217 W N 0.662 121.983 121.300 0.034 0.000 2.359 1217 W HA -0.005 4.655 4.660 0.001 0.000 0.275 1217 W C 1.612 178.133 176.519 0.003 0.000 1.217 1217 W CA 0.072 57.428 57.345 0.017 0.000 1.196 1217 W CB -1.187 28.284 29.460 0.020 0.000 1.129 1217 W HN 0.170 nan 8.180 nan 0.000 0.566 1218 L N 1.210 122.079 121.223 -0.590 0.000 2.042 1218 L HA -0.210 4.130 4.340 0.001 0.000 0.210 1218 L C 3.079 179.873 176.870 -0.126 0.000 1.076 1218 L CA 1.701 56.275 54.840 -0.443 0.000 0.749 1218 L CB -0.613 41.119 42.059 -0.545 0.000 0.893 1218 L HN -0.069 nan 8.230 nan 0.000 0.432 1219 R N -0.404 120.040 120.500 -0.094 0.000 2.139 1219 R HA -0.196 4.144 4.340 0.001 0.000 0.243 1219 R C 2.247 178.567 176.300 0.033 0.000 1.145 1219 R CA 1.362 57.456 56.100 -0.009 0.000 0.976 1219 R CB -0.451 29.844 30.300 -0.008 0.000 0.866 1219 R HN 0.394 nan 8.270 nan 0.000 0.449 1220 A N 1.060 123.900 122.820 0.032 0.000 1.897 1220 A HA -0.059 4.261 4.320 0.001 0.000 0.215 1220 A C 2.128 179.743 177.584 0.050 0.000 1.181 1220 A CA 0.840 52.897 52.037 0.035 0.000 0.620 1220 A CB -0.258 18.771 19.000 0.048 0.000 0.821 1220 A HN 0.142 nan 8.150 nan 0.000 0.443 1221 I N -0.284 120.287 120.570 0.002 0.000 2.315 1221 I HA -0.210 3.960 4.170 0.001 0.000 0.248 1221 I C 2.260 178.393 176.117 0.026 0.000 1.117 1221 I CA 0.897 62.147 61.300 -0.084 0.000 1.404 1221 I CB -0.213 37.646 38.000 -0.236 0.000 1.071 1221 I HN 0.283 nan 8.210 nan 0.000 0.419 1222 L N 0.136 121.420 121.223 0.101 0.000 2.141 1222 L HA -0.175 4.166 4.340 0.001 0.000 0.209 1222 L C 2.740 179.815 176.870 0.342 0.000 1.094 1222 L CA 1.191 56.182 54.840 0.252 0.000 0.763 1222 L CB -0.510 41.681 42.059 0.220 0.000 0.908 1222 L HN 0.199 nan 8.230 nan 0.000 0.437 1223 R N -0.744 119.887 120.500 0.218 0.000 2.081 1223 R HA -0.160 4.180 4.340 0.001 0.000 0.235 1223 R C 2.297 178.739 176.300 0.236 0.000 1.131 1223 R CA 1.440 57.655 56.100 0.192 0.000 0.960 1223 R CB -0.462 29.872 30.300 0.055 0.000 0.856 1223 R HN 0.175 nan 8.270 nan 0.000 0.436 1224 F N 1.252 121.219 119.950 0.028 0.000 2.126 1224 F HA -0.187 4.340 4.527 0.001 0.000 0.299 1224 F C 2.270 178.142 175.800 0.120 0.000 1.096 1224 F CA 1.349 59.448 58.000 0.164 0.000 1.255 1224 F CB -0.326 38.631 39.000 -0.071 0.000 0.997 1224 F HN -0.044 nan 8.300 nan 0.000 0.479 1225 L N -1.047 120.281 121.223 0.176 0.000 2.083 1225 L HA -0.158 4.183 4.340 0.001 0.000 0.209 1225 L C 2.710 179.545 176.870 -0.058 0.000 1.083 1225 L CA 1.375 56.282 54.840 0.111 0.000 0.752 1225 L CB -1.547 40.576 42.059 0.106 0.000 0.899 1225 L HN 0.259 nan 8.230 nan 0.000 0.433 1226 G N -0.348 108.168 108.800 -0.474 0.000 2.404 1226 G HA2 -0.174 3.786 3.960 0.001 0.000 0.215 1226 G HA3 -0.174 3.786 3.960 0.001 0.000 0.215 1226 G C 1.796 176.410 174.900 -0.477 0.000 1.174 1226 G CA 0.722 45.107 45.100 -1.192 0.000 0.780 1226 G HN 0.440 nan 8.290 nan 0.000 0.537 1227 A N 0.933 123.655 122.820 -0.163 0.000 1.933 1227 A HA 0.168 4.488 4.320 0.001 0.000 0.218 1227 A C 2.683 180.279 177.584 0.020 0.000 1.175 1227 A CA 2.021 53.982 52.037 -0.126 0.000 0.628 1227 A CB -1.040 17.912 19.000 -0.080 0.000 0.814 1227 A HN 0.511 nan 8.150 nan 0.000 0.444 1228 G N -0.543 108.413 108.800 0.261 0.000 2.446 1228 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 1228 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 1228 G C 1.650 176.672 174.900 0.204 0.000 1.168 1228 G CA 1.292 46.623 45.100 0.386 0.000 0.771 1228 G HN 0.462 nan 8.290 nan 0.000 0.551 1229 M N -0.164 119.461 119.600 0.041 0.000 2.175 1229 M HA -0.028 4.453 4.480 0.001 0.000 0.264 1229 M C 2.716 179.010 176.300 -0.010 0.000 1.063 1229 M CA 0.754 56.050 55.300 -0.007 0.000 1.119 1229 M CB -0.196 32.330 32.600 -0.125 0.000 1.377 1229 M HN 0.134 nan 8.290 nan 0.000 0.415 1230 V N 0.404 120.257 119.914 -0.102 0.000 2.261 1230 V HA -0.279 3.842 4.120 0.001 0.000 0.246 1230 V C 2.455 178.474 176.094 -0.125 0.000 1.047 1230 V CA 1.466 63.686 62.300 -0.133 0.000 1.015 1230 V CB -0.501 31.189 31.823 -0.222 0.000 0.642 1230 V HN 0.465 nan 8.190 nan 0.000 0.446 1231 M N -0.332 119.162 119.600 -0.177 0.000 2.374 1231 M HA -0.098 4.382 4.480 0.001 0.000 0.264 1231 M C 2.095 178.468 176.300 0.122 0.000 1.067 1231 M CA 1.557 56.751 55.300 -0.177 0.000 1.103 1231 M CB -1.610 30.700 32.600 -0.484 0.000 1.402 1231 M HN 0.398 nan 8.290 nan 0.000 0.444 1232 T N 0.503 115.181 114.554 0.206 0.000 2.985 1232 T HA 0.176 4.526 4.350 0.001 0.000 0.266 1232 T C 0.897 175.781 174.700 0.306 0.000 1.076 1232 T CA 0.574 62.869 62.100 0.325 0.000 1.135 1232 T CB -0.143 68.939 68.868 0.356 0.000 0.890 1232 T HN 0.418 nan 8.240 nan 0.000 0.480 1233 A N 2.320 125.248 122.820 0.180 0.000 2.451 1233 A HA 0.438 4.758 4.320 0.001 0.000 0.266 1233 A C 0.646 178.249 177.584 0.031 0.000 1.119 1233 A CA -0.284 51.822 52.037 0.114 0.000 0.786 1233 A CB -0.181 18.854 19.000 0.057 0.000 1.061 1233 A HN 0.242 nan 8.150 nan 0.000 0.503 1234 T N 2.231 116.793 114.554 0.013 0.000 2.937 1234 T HA 0.473 4.823 4.350 0.001 0.000 0.316 1234 T C 1.077 175.708 174.700 -0.115 0.000 1.079 1234 T CA 1.379 63.415 62.100 -0.106 0.000 1.131 1234 T CB 0.369 69.223 68.868 -0.024 0.000 1.000 1234 T HN 2.133 nan 8.240 nan 0.000 0.549 1235 G N 1.036 109.716 108.800 -0.200 0.000 2.416 1235 G HA2 -0.076 3.885 3.960 0.001 0.000 0.203 1235 G HA3 -0.076 3.885 3.960 0.001 0.000 0.203 1235 G C -0.211 174.595 174.900 -0.156 0.000 1.227 1235 G CA -0.465 44.547 45.100 -0.147 0.000 1.041 1235 G HN 1.432 nan 8.290 nan 0.000 0.546 1236 V N -0.655 119.181 119.914 -0.129 0.000 2.775 1236 V HA 0.742 4.862 4.120 0.001 0.000 0.299 1236 V C 1.158 177.155 176.094 -0.161 0.000 1.062 1236 V CA 0.309 62.517 62.300 -0.154 0.000 1.063 1236 V CB 0.732 32.478 31.823 -0.128 0.000 0.994 1236 V HN 2.511 nan 8.190 nan 0.000 0.483 1237 A N 3.961 126.655 122.820 -0.211 0.000 2.462 1237 A HA 0.584 4.904 4.320 0.001 0.000 0.243 1237 A C 0.008 177.486 177.584 -0.178 0.000 1.076 1237 A CA -0.115 51.785 52.037 -0.227 0.000 0.773 1237 A CB 0.272 19.086 19.000 -0.310 0.000 1.010 1237 A HN 1.177 nan 8.150 nan 0.000 0.493 1238 V N 1.880 121.712 119.914 -0.137 0.000 3.019 1238 V HA 0.303 4.423 4.120 0.001 0.000 0.317 1238 V C -0.417 175.642 176.094 -0.059 0.000 1.094 1238 V CA -0.814 61.443 62.300 -0.072 0.000 1.000 1238 V CB 2.135 33.943 31.823 -0.026 0.000 1.060 1238 V HN 0.922 nan 8.190 nan 0.000 0.443 1239 D N 2.476 122.885 120.400 0.014 0.000 2.280 1239 D HA 0.361 5.001 4.640 0.001 0.000 0.243 1239 D C -0.431 175.879 176.300 0.017 0.000 1.129 1239 D CA 0.206 54.211 54.000 0.008 0.000 0.848 1239 D CB 1.856 42.702 40.800 0.078 0.000 1.107 1239 D HN 0.373 nan 8.370 nan 0.000 0.471 1240 I N 2.859 123.385 120.570 -0.074 0.000 2.385 1240 I HA 0.235 4.406 4.170 0.001 0.000 0.294 1240 I C -1.144 175.008 176.117 0.059 0.000 0.988 1240 I CA -0.608 60.716 61.300 0.039 0.000 1.265 1240 I CB 0.622 38.555 38.000 -0.112 0.000 1.388 1240 I HN 0.209 nan 8.210 nan 0.000 0.480 1241 Y N 6.682 127.178 120.300 0.327 0.000 2.364 1241 Y HA 0.350 4.900 4.550 0.001 0.000 0.340 1241 Y C -0.293 175.837 175.900 0.383 0.000 0.975 1241 Y CA -0.911 57.382 58.100 0.321 0.000 1.089 1241 Y CB 1.752 40.305 38.460 0.155 0.000 1.192 1241 Y HN 0.422 nan 8.280 nan 0.000 0.454 1242 L N 3.384 124.811 121.223 0.340 0.000 2.584 1242 L HA -0.003 4.337 4.340 0.001 0.000 0.272 1242 L C 0.862 177.674 176.870 -0.096 0.000 1.195 1242 L CA 0.671 55.369 54.840 -0.237 0.000 0.920 1242 L CB 0.466 42.325 42.059 -0.334 0.000 1.173 1242 L HN 0.832 nan 8.230 nan 0.000 0.489 1243 E N 2.790 122.908 120.200 -0.137 0.000 2.175 1243 E HA 0.120 4.470 4.350 0.001 0.000 0.195 1243 E C -0.532 176.095 176.600 0.044 0.000 0.934 1243 E CA 0.546 56.959 56.400 0.021 0.000 0.870 1243 E CB 0.395 30.142 29.700 0.079 0.000 0.838 1243 E HN 0.764 nan 8.360 nan 0.000 0.474 1244 D N -1.370 118.977 120.400 -0.088 0.000 2.663 1244 D HA 0.342 4.982 4.640 0.001 0.000 0.233 1244 D C -1.584 174.663 176.300 -0.089 0.000 1.240 1244 D CA -0.463 53.513 54.000 -0.040 0.000 0.774 1244 D CB 1.249 42.052 40.800 0.004 0.000 1.443 1244 D HN 0.069 nan 8.370 nan 0.000 0.441 1245 I N 3.676 124.218 120.570 -0.046 0.000 2.439 1245 I HA 0.168 4.338 4.170 0.001 0.000 0.283 1245 I C 1.431 177.551 176.117 0.006 0.000 1.023 1245 I CA -0.740 60.540 61.300 -0.033 0.000 1.100 1245 I CB 1.795 39.761 38.000 -0.056 0.000 1.238 1245 I HN 0.593 nan 8.210 nan 0.000 0.445 1246 H N 5.821 124.860 119.070 -0.051 0.000 2.261 1246 H HA -0.190 4.366 4.556 0.001 0.000 0.290 1246 H C 1.628 176.932 175.328 -0.040 0.000 1.081 1246 H CA 2.492 58.513 56.048 -0.044 0.000 1.196 1246 H CB 0.374 30.110 29.762 -0.043 0.000 1.350 1246 H HN 0.757 nan 8.280 nan 0.000 0.498 1247 G N -0.527 108.086 108.800 -0.312 0.000 3.088 1247 G HA2 0.364 4.324 3.960 0.001 0.000 0.212 1247 G HA3 0.364 4.324 3.960 0.001 0.000 0.212 1247 G C 0.227 175.023 174.900 -0.173 0.000 1.173 1247 G CA 0.635 45.533 45.100 -0.336 0.000 0.779 1247 G HN 0.885 nan 8.290 nan 0.000 0.540 1248 G N -1.725 107.000 108.800 -0.126 0.000 2.707 1248 G HA2 0.222 4.183 3.960 0.001 0.000 0.686 1248 G HA3 0.222 4.183 3.960 0.001 0.000 0.686 1248 G C 0.977 175.837 174.900 -0.066 0.000 1.315 1248 G CA -0.326 44.725 45.100 -0.082 0.000 0.832 1248 G HN 0.896 nan 8.290 nan 0.000 0.573 1249 G N -0.450 108.315 108.800 -0.058 0.000 2.408 1249 G HA2 -0.094 3.866 3.960 0.001 0.000 0.217 1249 G HA3 -0.094 3.866 3.960 0.001 0.000 0.217 1249 G C 1.627 176.493 174.900 -0.057 0.000 1.150 1249 G CA 1.628 46.691 45.100 -0.062 0.000 0.776 1249 G HN 0.868 nan 8.290 nan 0.000 0.542 1250 R N 0.298 120.772 120.500 -0.044 0.000 2.073 1250 R HA -0.060 4.280 4.340 0.001 0.000 0.234 1250 R C 2.784 179.081 176.300 -0.005 0.000 1.134 1250 R CA 1.666 57.755 56.100 -0.019 0.000 0.952 1250 R CB -0.295 29.998 30.300 -0.012 0.000 0.850 1250 R HN 0.328 nan 8.270 nan 0.000 0.433 1251 S N 0.944 116.627 115.700 -0.028 0.000 2.368 1251 S HA -0.151 4.320 4.470 0.001 0.000 0.225 1251 S C 1.715 176.288 174.600 -0.046 0.000 1.030 1251 S CA 1.089 59.271 58.200 -0.031 0.000 0.999 1251 S CB -0.280 62.886 63.200 -0.057 0.000 0.844 1251 S HN 0.241 nan 8.310 nan 0.000 0.459 1252 L N 1.951 123.129 121.223 -0.076 0.000 2.046 1252 L HA -0.013 4.327 4.340 0.001 0.000 0.208 1252 L C 2.298 179.117 176.870 -0.085 0.000 1.077 1252 L CA 1.994 56.734 54.840 -0.167 0.000 0.747 1252 L CB -1.309 40.680 42.059 -0.116 0.000 0.896 1252 L HN 0.321 nan 8.230 nan 0.000 0.432 1253 G N -1.621 107.228 108.800 0.081 0.000 2.446 1253 G HA2 -0.268 3.692 3.960 0.001 0.000 0.217 1253 G HA3 -0.268 3.692 3.960 0.001 0.000 0.217 1253 G C 1.428 176.583 174.900 0.425 0.000 1.168 1253 G CA 0.549 45.838 45.100 0.316 0.000 0.771 1253 G HN 0.403 nan 8.290 nan 0.000 0.551 1254 Q N -0.028 119.903 119.800 0.217 0.000 2.124 1254 Q HA -0.034 4.306 4.340 0.001 0.000 0.202 1254 Q C 2.536 178.632 176.000 0.160 0.000 0.977 1254 Q CA 1.131 57.045 55.803 0.186 0.000 0.850 1254 Q CB -0.371 28.431 28.738 0.106 0.000 0.901 1254 Q HN 0.535 nan 8.270 nan 0.000 0.429 1255 R N -0.349 120.189 120.500 0.064 0.000 2.083 1255 R HA -0.137 4.203 4.340 0.001 0.000 0.237 1255 R C 2.084 178.438 176.300 0.091 0.000 1.137 1255 R CA 1.344 57.439 56.100 -0.009 0.000 0.951 1255 R CB -0.198 29.988 30.300 -0.191 0.000 0.851 1255 R HN 0.117 nan 8.270 nan 0.000 0.434 1256 F N 0.141 120.233 119.950 0.236 0.000 2.146 1256 F HA -0.089 4.438 4.527 0.001 0.000 0.298 1256 F C 2.224 178.183 175.800 0.265 0.000 1.096 1256 F CA 1.206 59.368 58.000 0.269 0.000 1.275 1256 F CB -0.435 38.801 39.000 0.392 0.000 1.008 1256 F HN 0.013 nan 8.300 nan 0.000 0.480 1257 M N -0.929 118.922 119.600 0.419 0.000 2.213 1257 M HA -0.200 4.281 4.480 0.001 0.000 0.263 1257 M C 2.055 178.474 176.300 0.198 0.000 1.062 1257 M CA 1.724 57.158 55.300 0.223 0.000 1.105 1257 M CB -0.808 31.906 32.600 0.190 0.000 1.385 1257 M HN 0.051 nan 8.290 nan 0.000 0.417 1258 T N -0.604 114.077 114.554 0.212 0.000 2.737 1258 T HA -0.207 4.143 4.350 0.001 0.000 0.265 1258 T C 1.096 175.908 174.700 0.187 0.000 1.038 1258 T CA 1.441 63.637 62.100 0.160 0.000 1.144 1258 T CB -0.357 68.593 68.868 0.136 0.000 0.866 1258 T HN 0.614 nan 8.240 nan 0.000 0.434 1259 W N 1.699 123.059 121.300 0.100 0.000 2.333 1259 W HA -0.183 4.477 4.660 0.001 0.000 0.316 1259 W C 2.131 178.699 176.519 0.083 0.000 1.215 1259 W CA 1.467 58.870 57.345 0.097 0.000 1.278 1259 W CB -0.392 29.148 29.460 0.133 0.000 1.154 1259 W HN 0.162 nan 8.180 nan 0.000 0.486 1260 M N 0.545 120.378 119.600 0.388 0.000 2.163 1260 M HA -0.312 4.169 4.480 0.001 0.000 0.258 1260 M C 2.261 178.540 176.300 -0.036 0.000 1.071 1260 M CA 2.683 58.090 55.300 0.179 0.000 1.093 1260 M CB -1.123 31.577 32.600 0.166 0.000 1.285 1260 M HN 0.120 nan 8.290 nan 0.000 0.420 1261 R N 0.447 120.957 120.500 0.018 0.000 2.357 1261 R HA -0.116 4.225 4.340 0.001 0.000 0.202 1261 R C 1.317 177.658 176.300 0.069 0.000 1.047 1261 R CA 1.157 57.276 56.100 0.030 0.000 1.034 1261 R CB -0.305 30.020 30.300 0.043 0.000 0.875 1261 R HN 0.557 nan 8.270 nan 0.000 0.473 1262 Q N 0.195 119.951 119.800 -0.072 0.000 2.281 1262 Q HA 0.112 4.452 4.340 0.001 0.000 0.215 1262 Q C -0.386 175.457 176.000 -0.263 0.000 0.867 1262 Q CA -0.274 55.450 55.803 -0.131 0.000 0.940 1262 Q CB 0.711 29.354 28.738 -0.159 0.000 1.111 1262 Q HN 0.255 nan 8.270 nan 0.000 0.513 1263 E N 1.129 121.094 120.200 -0.392 0.000 2.493 1263 E HA 0.044 4.395 4.350 0.001 0.000 0.255 1263 E C 0.183 176.678 176.600 -0.174 0.000 0.999 1263 E CA 0.659 56.795 56.400 -0.439 0.000 0.934 1263 E CB 0.372 29.773 29.700 -0.498 0.000 0.940 1263 E HN 0.461 nan 8.360 nan 0.000 0.473 1264 G N 3.939 112.645 108.800 -0.157 0.000 2.502 1264 G HA2 -0.279 3.681 3.960 0.001 0.000 0.273 1264 G HA3 -0.279 3.681 3.960 0.001 0.000 0.273 1264 G C 0.062 174.905 174.900 -0.095 0.000 1.021 1264 G CA 0.339 45.391 45.100 -0.080 0.000 1.333 1264 G HN 0.469 nan 8.290 nan 0.000 0.508 1265 R N 0.000 120.408 120.500 -0.154 0.000 2.786 1265 R HA 0.000 4.340 4.340 0.001 0.000 0.208 1265 R CA 0.000 55.956 56.100 -0.240 0.000 0.921 1265 R CB 0.000 30.114 30.300 -0.311 0.000 0.687 1265 R HN 0.000 nan 8.270 nan 0.000 0.535