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 1tcm_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKC DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNADPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.556 177.584 -0.047 0.000 1.274 1 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 1 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 2 P HA 0.176 nan 4.420 nan 0.000 0.269 2 P C 0.075 177.332 177.300 -0.073 0.000 1.215 2 P CA 0.310 63.376 63.100 -0.057 0.000 0.780 2 P CB 0.460 32.123 31.700 -0.061 0.000 0.898 3 D N 0.178 120.538 120.400 -0.067 0.000 2.311 3 D HA -0.140 4.503 4.640 0.006 0.000 0.212 3 D C 0.699 176.937 176.300 -0.103 0.000 0.972 3 D CA 1.547 55.505 54.000 -0.071 0.000 0.887 3 D CB -1.170 39.608 40.800 -0.038 0.000 0.915 3 D HN 0.389 nan 8.370 nan 0.000 0.497 4 T N -2.668 111.820 114.554 -0.110 0.000 3.219 4 T HA 0.131 4.484 4.350 0.006 0.000 0.249 4 T C 0.787 175.395 174.700 -0.153 0.000 1.099 4 T CA -0.442 61.572 62.100 -0.143 0.000 0.988 4 T CB -0.056 68.733 68.868 -0.131 0.000 0.999 4 T HN 0.085 nan 8.240 nan 0.000 0.550 5 S N 0.405 116.018 115.700 -0.144 0.000 2.586 5 S HA 0.336 4.809 4.470 0.006 0.000 0.274 5 S C 1.422 175.908 174.600 -0.190 0.000 1.281 5 S CA -0.650 57.462 58.200 -0.147 0.000 1.035 5 S CB 1.454 64.583 63.200 -0.118 0.000 0.962 5 S HN 0.157 nan 8.310 nan 0.000 0.512 6 V N 4.566 124.363 119.914 -0.195 0.000 2.688 6 V HA -0.110 4.013 4.120 0.006 0.000 0.256 6 V C 2.126 178.060 176.094 -0.267 0.000 1.084 6 V CA 2.730 64.885 62.300 -0.242 0.000 1.103 6 V CB -0.993 30.691 31.823 -0.232 0.000 0.688 6 V HN 1.006 nan 8.190 nan 0.000 0.480 7 S N 0.006 115.578 115.700 -0.214 0.000 2.423 7 S HA -0.104 4.369 4.470 0.006 0.000 0.231 7 S C 1.302 175.818 174.600 -0.140 0.000 1.014 7 S CA 0.800 58.891 58.200 -0.181 0.000 0.965 7 S CB -0.743 62.378 63.200 -0.131 0.000 0.785 7 S HN 0.657 nan 8.310 nan 0.000 0.495 8 N N 2.257 120.867 118.700 -0.150 0.000 2.434 8 N HA 0.153 4.896 4.740 0.006 0.000 0.273 8 N C 0.462 175.917 175.510 -0.092 0.000 1.210 8 N CA 0.129 53.109 53.050 -0.116 0.000 0.992 8 N CB 0.354 38.758 38.487 -0.140 0.000 1.355 8 N HN 0.436 nan 8.380 nan 0.000 0.495 9 K N 1.777 122.182 120.400 0.009 0.000 2.288 9 K HA -0.066 4.258 4.320 0.006 0.000 0.201 9 K C 1.084 177.850 176.600 0.277 0.000 1.048 9 K CA 0.946 57.322 56.287 0.149 0.000 0.956 9 K CB 0.385 32.972 32.500 0.145 0.000 0.746 9 K HN 0.411 nan 8.250 nan 0.000 0.461 10 Q N 0.117 120.029 119.800 0.187 0.000 2.389 10 Q HA 0.031 4.374 4.340 0.006 0.000 0.204 10 Q C 0.099 176.260 176.000 0.269 0.000 0.944 10 Q CA 0.545 56.505 55.803 0.262 0.000 0.908 10 Q CB 0.222 29.080 28.738 0.200 0.000 1.002 10 Q HN 0.062 nan 8.270 nan 0.000 0.493 11 N N -0.874 117.859 118.700 0.054 0.000 2.314 11 N HA 0.218 4.962 4.740 0.006 0.000 0.294 11 N C -1.184 174.143 175.510 -0.306 0.000 1.029 11 N CA -0.290 52.626 53.050 -0.224 0.000 0.845 11 N CB 0.744 39.044 38.487 -0.311 0.000 1.321 11 N HN -0.070 nan 8.380 nan 0.000 0.481 12 F N 0.596 120.133 119.950 -0.689 0.000 2.798 12 F HA 0.209 4.739 4.527 0.006 0.000 0.328 12 F C 1.964 177.442 175.800 -0.538 0.000 1.098 12 F CA -0.048 57.526 58.000 -0.711 0.000 1.172 12 F CB 0.375 38.619 39.000 -1.261 0.000 1.072 12 F HN 0.418 nan 8.300 nan 0.000 0.555 13 S N -0.554 114.951 115.700 -0.326 0.000 2.387 13 S HA -0.241 4.233 4.470 0.006 0.000 0.230 13 S C 2.135 176.533 174.600 -0.337 0.000 1.035 13 S CA 2.038 60.072 58.200 -0.277 0.000 1.014 13 S CB -0.967 62.118 63.200 -0.192 0.000 0.836 13 S HN 0.533 nan 8.310 nan 0.000 0.466 14 T N -0.186 114.144 114.554 -0.373 0.000 3.148 14 T HA 0.076 4.430 4.350 0.006 0.000 0.253 14 T C 0.227 174.750 174.700 -0.295 0.000 1.134 14 T CA 0.024 61.907 62.100 -0.362 0.000 1.051 14 T CB -0.217 68.443 68.868 -0.347 0.000 0.959 14 T HN 0.224 nan 8.240 nan 0.000 0.525 15 D N 0.507 120.732 120.400 -0.292 0.000 2.478 15 D HA 0.502 5.145 4.640 0.006 0.000 0.263 15 D C -0.913 175.297 176.300 -0.150 0.000 1.153 15 D CA -0.572 53.285 54.000 -0.239 0.000 1.038 15 D CB 2.223 42.833 40.800 -0.317 0.000 1.120 15 D HN -0.010 nan 8.370 nan 0.000 0.564 16 V N 1.642 121.501 119.914 -0.091 0.000 2.462 16 V HA 0.240 4.363 4.120 0.006 0.000 0.288 16 V C -0.061 176.062 176.094 0.048 0.000 1.020 16 V CA -0.492 61.785 62.300 -0.037 0.000 0.857 16 V CB 1.244 33.033 31.823 -0.057 0.000 1.013 16 V HN 0.346 nan 8.190 nan 0.000 0.431 17 I N 4.581 125.216 120.570 0.109 0.000 2.581 17 I HA 0.262 4.436 4.170 0.006 0.000 0.288 17 I C -0.628 175.641 176.117 0.253 0.000 1.047 17 I CA -0.227 61.206 61.300 0.222 0.000 1.374 17 I CB 0.749 38.923 38.000 0.290 0.000 1.423 17 I HN 0.610 nan 8.210 nan 0.000 0.549 18 Y N 5.753 126.129 120.300 0.126 0.000 2.447 18 Y HA 0.234 4.788 4.550 0.006 0.000 0.325 18 Y C -0.076 175.842 175.900 0.030 0.000 0.976 18 Y CA -0.626 57.513 58.100 0.065 0.000 1.280 18 Y CB 0.641 39.105 38.460 0.007 0.000 1.104 18 Y HN 0.483 nan 8.280 nan 0.000 0.486 19 Q N 6.807 126.505 119.800 -0.171 0.000 2.281 19 Q HA 0.284 4.628 4.340 0.006 0.000 0.267 19 Q C -1.055 174.727 176.000 -0.364 0.000 1.053 19 Q CA 0.284 55.818 55.803 -0.448 0.000 0.905 19 Q CB 0.358 28.657 28.738 -0.732 0.000 1.195 19 Q HN 0.753 nan 8.270 nan 0.000 0.398 20 I N 4.187 124.529 120.570 -0.380 0.000 2.389 20 I HA 0.201 4.374 4.170 0.006 0.000 0.288 20 I C -0.644 175.228 176.117 -0.409 0.000 0.999 20 I CA -0.771 60.316 61.300 -0.354 0.000 1.129 20 I CB 0.984 38.771 38.000 -0.354 0.000 1.288 20 I HN 0.493 nan 8.210 nan 0.000 0.444 21 F N 5.407 125.076 119.950 -0.468 0.000 2.423 21 F HA 0.151 4.681 4.527 0.006 0.000 0.356 21 F C 1.798 177.419 175.800 -0.299 0.000 1.170 21 F CA 0.093 57.908 58.000 -0.308 0.000 1.163 21 F CB 0.540 39.457 39.000 -0.139 0.000 1.318 21 F HN 0.550 nan 8.300 nan 0.000 0.569 22 T N 1.657 116.179 114.554 -0.054 0.000 2.635 22 T HA -0.384 3.970 4.350 0.006 0.000 0.265 22 T C 1.707 176.466 174.700 0.098 0.000 1.058 22 T CA 2.421 64.484 62.100 -0.061 0.000 1.162 22 T CB -0.329 68.294 68.868 -0.408 0.000 0.859 22 T HN 0.637 nan 8.240 nan 0.000 0.449 23 D N 0.089 120.598 120.400 0.181 0.000 2.310 23 D HA -0.060 4.584 4.640 0.006 0.000 0.212 23 D C 1.482 177.848 176.300 0.110 0.000 0.965 23 D CA 0.627 54.757 54.000 0.217 0.000 0.879 23 D CB 0.182 41.118 40.800 0.226 0.000 0.921 23 D HN 0.199 nan 8.370 nan 0.000 0.510 24 R N -0.254 120.275 120.500 0.048 0.000 2.696 24 R HA 0.153 4.496 4.340 0.006 0.000 0.355 24 R C -0.124 176.190 176.300 0.023 0.000 1.138 24 R CA -0.188 55.910 56.100 -0.003 0.000 1.059 24 R CB -0.002 30.291 30.300 -0.011 0.000 1.380 24 R HN 0.243 nan 8.270 nan 0.000 0.578 25 F N 0.173 120.084 119.950 -0.064 0.000 2.294 25 F HA 0.374 4.904 4.527 0.006 0.000 0.241 25 F C 0.050 175.979 175.800 0.215 0.000 1.009 25 F CA -0.157 57.877 58.000 0.056 0.000 1.165 25 F CB 0.372 39.400 39.000 0.047 0.000 1.445 25 F HN -0.154 nan 8.300 nan 0.000 0.632 26 S N 0.084 115.830 115.700 0.077 0.000 2.575 26 S HA 0.311 4.784 4.470 0.006 0.000 0.278 26 S C -1.899 172.749 174.600 0.081 0.000 1.139 26 S CA -0.646 57.535 58.200 -0.031 0.000 0.954 26 S CB 0.986 64.012 63.200 -0.290 0.000 1.054 26 S HN 0.287 nan 8.310 nan 0.000 0.483 27 D N 3.427 123.871 120.400 0.074 0.000 2.479 27 D HA 0.435 5.078 4.640 0.006 0.000 0.218 27 D C 1.115 177.455 176.300 0.066 0.000 1.131 27 D CA -0.192 53.866 54.000 0.096 0.000 0.916 27 D CB 0.478 41.348 40.800 0.117 0.000 1.022 27 D HN 0.671 nan 8.370 nan 0.000 0.515 28 G N 3.047 111.890 108.800 0.071 0.000 2.777 28 G HA2 -0.094 3.869 3.960 0.006 0.000 0.211 28 G HA3 -0.094 3.869 3.960 0.006 0.000 0.211 28 G C 0.600 175.531 174.900 0.052 0.000 1.149 28 G CA -0.241 44.890 45.100 0.052 0.000 0.785 28 G HN 0.468 nan 8.290 nan 0.000 0.536 29 N N -0.437 118.299 118.700 0.059 0.000 2.581 29 N HA 0.329 5.072 4.740 0.006 0.000 0.279 29 N C -2.306 173.218 175.510 0.024 0.000 1.124 29 N CA -1.905 51.170 53.050 0.042 0.000 0.833 29 N CB 2.270 40.791 38.487 0.056 0.000 1.338 29 N HN -0.249 nan 8.380 nan 0.000 0.533 30 P HA -0.005 nan 4.420 nan 0.000 0.222 30 P C 1.009 178.267 177.300 -0.071 0.000 1.147 30 P CA 0.761 63.843 63.100 -0.030 0.000 0.790 30 P CB 0.268 31.950 31.700 -0.030 0.000 0.780 31 A N 1.816 124.609 122.820 -0.044 0.000 1.873 31 A HA -0.258 4.065 4.320 0.006 0.000 0.218 31 A C 1.852 179.389 177.584 -0.077 0.000 1.193 31 A CA 2.424 54.428 52.037 -0.054 0.000 0.629 31 A CB -1.926 17.060 19.000 -0.022 0.000 0.826 31 A HN 0.396 nan 8.150 nan 0.000 0.447 32 N N -0.085 118.579 118.700 -0.060 0.000 2.515 32 N HA -0.007 4.736 4.740 0.006 0.000 0.191 32 N C -0.267 175.159 175.510 -0.140 0.000 1.182 32 N CA 0.226 53.226 53.050 -0.083 0.000 0.879 32 N CB -0.663 37.793 38.487 -0.052 0.000 0.984 32 N HN 0.311 nan 8.380 nan 0.000 0.453 33 N N 1.945 120.540 118.700 -0.175 0.000 2.483 33 N HA 0.171 4.915 4.740 0.006 0.000 0.264 33 N C -2.326 172.975 175.510 -0.347 0.000 1.197 33 N CA -1.245 51.636 53.050 -0.281 0.000 0.927 33 N CB 0.378 38.547 38.487 -0.531 0.000 1.065 33 N HN 0.212 nan 8.380 nan 0.000 0.461 34 P HA 0.090 nan 4.420 nan 0.000 0.269 34 P C -0.039 177.131 177.300 -0.216 0.000 1.215 34 P CA -0.224 62.718 63.100 -0.263 0.000 0.780 34 P CB 0.517 32.001 31.700 -0.360 0.000 0.898 35 T N -1.969 112.508 114.554 -0.129 0.000 2.889 35 T HA 0.660 5.013 4.350 0.006 0.000 0.278 35 T C 0.737 175.448 174.700 0.019 0.000 0.995 35 T CA -0.017 62.027 62.100 -0.093 0.000 0.966 35 T CB 0.686 69.493 68.868 -0.102 0.000 1.237 35 T HN 0.675 nan 8.240 nan 0.000 0.591 36 G N 0.749 109.564 108.800 0.025 0.000 2.594 36 G HA2 -0.056 3.907 3.960 0.006 0.000 0.297 36 G HA3 -0.056 3.907 3.960 0.006 0.000 0.297 36 G C 1.044 175.996 174.900 0.088 0.000 1.273 36 G CA 0.617 45.746 45.100 0.047 0.000 0.974 36 G HN 1.874 nan 8.290 nan 0.000 0.552 37 A N -0.124 122.736 122.820 0.067 0.000 2.263 37 A HA 0.525 4.848 4.320 0.006 0.000 0.205 37 A C 2.210 179.847 177.584 0.088 0.000 1.226 37 A CA 1.920 53.997 52.037 0.068 0.000 0.810 37 A CB -0.708 18.320 19.000 0.046 0.000 0.784 37 A HN 2.167 nan 8.150 nan 0.000 0.486 38 A N -1.690 121.206 122.820 0.126 0.000 2.382 38 A HA 0.554 4.877 4.320 0.006 0.000 0.228 38 A C 0.146 177.876 177.584 0.244 0.000 1.217 38 A CA -0.158 51.981 52.037 0.169 0.000 0.923 38 A CB 0.080 19.178 19.000 0.165 0.000 0.979 38 A HN 0.470 nan 8.150 nan 0.000 0.515 39 F N 0.050 120.028 119.950 0.046 0.000 2.522 39 F HA 0.629 5.160 4.527 0.006 0.000 0.324 39 F C -1.263 174.548 175.800 0.017 0.000 1.077 39 F CA -1.086 56.941 58.000 0.044 0.000 0.944 39 F CB 1.789 40.791 39.000 0.003 0.000 1.175 39 F HN -0.027 nan 8.300 nan 0.000 0.468 40 D N 3.270 123.111 120.400 -0.932 0.000 2.364 40 D HA 0.232 4.875 4.640 0.006 0.000 0.251 40 D C 0.971 176.750 176.300 -0.868 0.000 1.282 40 D CA 0.114 53.747 54.000 -0.612 0.000 0.927 40 D CB 1.052 41.647 40.800 -0.340 0.000 1.267 40 D HN 0.733 nan 8.370 nan 0.000 0.531 41 G N 1.812 110.225 108.800 -0.644 0.000 2.556 41 G HA2 -0.379 3.585 3.960 0.006 0.000 0.220 41 G HA3 -0.379 3.585 3.960 0.006 0.000 0.220 41 G C 1.387 176.204 174.900 -0.138 0.000 1.156 41 G CA 2.008 47.010 45.100 -0.164 0.000 0.766 41 G HN 0.545 nan 8.290 nan 0.000 0.583 42 T N -3.322 111.162 114.554 -0.117 0.000 2.962 42 T HA -0.070 4.284 4.350 0.006 0.000 0.270 42 T C 1.543 176.172 174.700 -0.119 0.000 1.088 42 T CA 1.013 63.062 62.100 -0.086 0.000 1.127 42 T CB -0.668 68.162 68.868 -0.062 0.000 0.883 42 T HN 0.919 nan 8.240 nan 0.000 0.493 43 c N 1.099 119.582 118.600 -0.194 0.000 4.456 43 c HA -0.210 4.363 4.570 0.006 0.000 0.288 43 c C 1.813 175.815 174.090 -0.147 0.000 1.374 43 c CA 0.966 57.178 56.329 -0.195 0.000 1.956 43 c CB -2.782 39.640 42.510 -0.145 0.000 1.255 43 c HN 0.812 nan 8.230 nan 0.000 0.788 44 T N 0.013 114.489 114.554 -0.130 0.000 2.978 44 T HA -0.017 4.337 4.350 0.006 0.000 0.262 44 T C 0.731 175.371 174.700 -0.101 0.000 1.063 44 T CA 1.652 63.695 62.100 -0.094 0.000 1.140 44 T CB -0.302 68.524 68.868 -0.070 0.000 0.886 44 T HN 0.702 nan 8.240 nan 0.000 0.470 45 N N 2.104 120.726 118.700 -0.130 0.000 2.558 45 N HA 0.143 4.887 4.740 0.006 0.000 0.233 45 N C 0.393 175.787 175.510 -0.193 0.000 1.038 45 N CA -0.207 52.765 53.050 -0.130 0.000 0.934 45 N CB 0.213 38.631 38.487 -0.114 0.000 1.175 45 N HN 0.353 nan 8.380 nan 0.000 0.512 46 L N 2.768 123.883 121.223 -0.179 0.000 2.869 46 L HA 0.039 4.382 4.340 0.006 0.000 0.259 46 L C 1.267 177.919 176.870 -0.363 0.000 1.162 46 L CA 0.451 55.139 54.840 -0.253 0.000 0.975 46 L CB -0.199 41.768 42.059 -0.154 0.000 1.217 46 L HN 0.417 nan 8.230 nan 0.000 0.418 47 R N -1.738 118.560 120.500 -0.337 0.000 2.541 47 R HA 0.195 4.539 4.340 0.006 0.000 0.332 47 R C 0.077 176.185 176.300 -0.320 0.000 0.951 47 R CA -0.418 55.496 56.100 -0.309 0.000 1.136 47 R CB 0.908 31.167 30.300 -0.069 0.000 1.449 47 R HN 0.095 nan 8.270 nan 0.000 0.531 48 L N -0.600 120.407 121.223 -0.359 0.000 2.970 48 L HA 0.367 4.710 4.340 0.006 0.000 0.214 48 L C -0.357 176.311 176.870 -0.337 0.000 1.317 48 L CA -0.635 54.063 54.840 -0.236 0.000 1.187 48 L CB -0.100 41.861 42.059 -0.162 0.000 2.155 48 L HN -0.123 nan 8.230 nan 0.000 0.554 49 Y N -0.725 119.435 120.300 -0.233 0.000 2.331 49 Y HA 0.203 4.757 4.550 0.006 0.000 0.338 49 Y C 0.912 176.605 175.900 -0.346 0.000 0.976 49 Y CA -0.174 57.828 58.100 -0.164 0.000 1.137 49 Y CB 1.463 39.946 38.460 0.038 0.000 1.172 49 Y HN 0.441 nan 8.280 nan 0.000 0.478 50 c N 1.361 119.888 118.600 -0.122 0.000 2.533 50 c HA 0.250 4.823 4.570 0.006 0.000 0.272 50 c C 1.833 175.954 174.090 0.052 0.000 1.371 50 c CA 1.042 57.244 56.329 -0.212 0.000 1.758 50 c CB -0.672 41.739 42.510 -0.166 0.000 1.972 50 c HN 1.214 nan 8.230 nan 0.000 0.522 51 G N -0.297 108.694 108.800 0.318 0.000 2.211 51 G HA2 -0.043 3.920 3.960 0.006 0.000 0.201 51 G HA3 -0.043 3.920 3.960 0.006 0.000 0.201 51 G C 0.388 175.439 174.900 0.251 0.000 0.997 51 G CA -0.087 45.243 45.100 0.384 0.000 0.652 51 G HN 0.790 nan 8.290 nan 0.000 0.500 52 G N 0.888 109.825 108.800 0.228 0.000 2.265 52 G HA2 0.500 4.464 3.960 0.006 0.000 0.240 52 G HA3 0.500 4.464 3.960 0.006 0.000 0.240 52 G C 0.006 175.047 174.900 0.235 0.000 1.270 52 G CA 1.127 46.355 45.100 0.214 0.000 0.901 52 G HN 1.052 nan 8.290 nan 0.000 0.507 53 D N 0.031 120.544 120.400 0.189 0.000 2.610 53 D HA 0.246 4.889 4.640 0.006 0.000 0.271 53 D C 0.620 177.038 176.300 0.197 0.000 1.174 53 D CA -1.012 53.066 54.000 0.130 0.000 0.949 53 D CB 0.322 41.185 40.800 0.105 0.000 1.430 53 D HN 0.310 nan 8.370 nan 0.000 0.467 54 W N -0.218 121.208 121.300 0.210 0.000 2.338 54 W HA -0.119 4.545 4.660 0.006 0.000 0.304 54 W C 2.111 178.710 176.519 0.134 0.000 1.212 54 W CA 1.240 58.686 57.345 0.168 0.000 1.264 54 W CB -1.007 28.577 29.460 0.206 0.000 1.142 54 W HN 0.585 nan 8.180 nan 0.000 0.512 55 Q N 0.321 120.322 119.800 0.335 0.000 2.014 55 Q HA -0.148 4.195 4.340 0.006 0.000 0.207 55 Q C 2.453 178.549 176.000 0.159 0.000 0.993 55 Q CA 2.928 58.856 55.803 0.209 0.000 0.850 55 Q CB -1.273 27.558 28.738 0.155 0.000 0.916 55 Q HN 0.173 nan 8.270 nan 0.000 0.417 56 G N 0.273 109.165 108.800 0.153 0.000 2.469 56 G HA2 -0.274 3.690 3.960 0.006 0.000 0.219 56 G HA3 -0.274 3.690 3.960 0.006 0.000 0.219 56 G C 1.491 176.472 174.900 0.136 0.000 1.150 56 G CA 1.129 46.288 45.100 0.098 0.000 0.763 56 G HN 0.442 nan 8.290 nan 0.000 0.561 57 I N 0.829 121.567 120.570 0.280 0.000 2.208 57 I HA -0.177 3.996 4.170 0.006 0.000 0.245 57 I C 2.637 178.877 176.117 0.206 0.000 1.097 57 I CA 0.900 62.416 61.300 0.360 0.000 1.363 57 I CB -0.121 38.083 38.000 0.340 0.000 1.051 57 I HN 0.202 nan 8.210 nan 0.000 0.413 58 I N 0.244 120.901 120.570 0.145 0.000 2.252 58 I HA -0.269 3.904 4.170 0.006 0.000 0.245 58 I C 2.078 178.224 176.117 0.048 0.000 1.102 58 I CA 1.128 62.474 61.300 0.077 0.000 1.385 58 I CB -0.755 37.285 38.000 0.065 0.000 1.064 58 I HN 0.273 nan 8.210 nan 0.000 0.414 59 N N 1.283 120.005 118.700 0.037 0.000 2.149 59 N HA -0.160 4.584 4.740 0.006 0.000 0.188 59 N C 1.701 177.175 175.510 -0.059 0.000 1.019 59 N CA 1.178 54.217 53.050 -0.018 0.000 0.857 59 N CB -0.195 38.267 38.487 -0.041 0.000 0.997 59 N HN 0.262 nan 8.380 nan 0.000 0.426 60 K N 0.473 120.842 120.400 -0.051 0.000 2.296 60 K HA 0.151 4.474 4.320 0.006 0.000 0.200 60 K C 2.030 178.656 176.600 0.044 0.000 1.048 60 K CA 0.088 56.333 56.287 -0.071 0.000 0.966 60 K CB -0.131 32.341 32.500 -0.048 0.000 0.754 60 K HN 0.279 nan 8.250 nan 0.000 0.466 61 I N 1.241 121.841 120.570 0.050 0.000 2.141 61 I HA -0.269 3.905 4.170 0.006 0.000 0.236 61 I C 1.370 177.496 176.117 0.016 0.000 1.071 61 I CA 1.281 62.600 61.300 0.032 0.000 1.345 61 I CB -0.180 37.834 38.000 0.024 0.000 1.066 61 I HN 0.240 nan 8.210 nan 0.000 0.406 62 N N 0.462 119.167 118.700 0.009 0.000 2.520 62 N HA -0.185 4.558 4.740 0.006 0.000 0.185 62 N C 1.077 176.588 175.510 0.003 0.000 1.068 62 N CA 0.833 53.885 53.050 0.003 0.000 0.911 62 N CB -0.041 38.447 38.487 0.001 0.000 0.961 62 N HN 0.469 nan 8.380 nan 0.000 0.446 63 D N -0.232 120.168 120.400 0.001 0.000 2.349 63 D HA 0.007 4.650 4.640 0.006 0.000 0.215 63 D C 1.393 177.713 176.300 0.033 0.000 1.016 63 D CA 0.889 54.889 54.000 -0.000 0.000 0.870 63 D CB 0.130 40.907 40.800 -0.039 0.000 0.917 63 D HN 0.260 nan 8.370 nan 0.000 0.524 64 G N 0.230 109.059 108.800 0.049 0.000 2.258 64 G HA2 -0.422 3.542 3.960 0.006 0.000 0.233 64 G HA3 -0.422 3.542 3.960 0.006 0.000 0.233 64 G C 0.817 175.793 174.900 0.127 0.000 1.006 64 G CA 0.394 45.535 45.100 0.068 0.000 0.620 64 G HN 0.358 nan 8.290 nan 0.000 0.511 65 Y N 1.474 121.801 120.300 0.044 0.000 2.081 65 Y HA -0.060 4.494 4.550 0.006 0.000 0.280 65 Y C 2.719 178.700 175.900 0.134 0.000 1.163 65 Y CA 2.560 60.745 58.100 0.141 0.000 1.135 65 Y CB -0.363 38.144 38.460 0.078 0.000 0.970 65 Y HN 0.327 nan 8.280 nan 0.000 0.498 66 L N -0.803 120.423 121.223 0.004 0.000 1.988 66 L HA -0.208 4.136 4.340 0.006 0.000 0.207 66 L C 2.535 179.286 176.870 -0.197 0.000 1.071 66 L CA 2.127 56.854 54.840 -0.188 0.000 0.744 66 L CB -1.455 40.537 42.059 -0.111 0.000 0.893 66 L HN 0.356 nan 8.230 nan 0.000 0.433 67 T N -2.211 112.286 114.554 -0.095 0.000 2.720 67 T HA -0.135 4.218 4.350 0.006 0.000 0.268 67 T C 1.948 176.596 174.700 -0.086 0.000 1.037 67 T CA 1.100 63.150 62.100 -0.083 0.000 1.144 67 T CB -1.146 67.696 68.868 -0.042 0.000 0.864 67 T HN 0.413 nan 8.240 nan 0.000 0.444 68 G N 1.164 109.941 108.800 -0.037 0.000 2.476 68 G HA2 -0.242 3.722 3.960 0.006 0.000 0.218 68 G HA3 -0.242 3.722 3.960 0.006 0.000 0.218 68 G C 1.554 176.402 174.900 -0.087 0.000 1.164 68 G CA 0.998 46.116 45.100 0.029 0.000 0.768 68 G HN 0.506 nan 8.290 nan 0.000 0.560 69 M N 0.343 119.721 119.600 -0.371 0.000 2.435 69 M HA 0.083 4.566 4.480 0.006 0.000 0.262 69 M C 1.745 177.824 176.300 -0.369 0.000 1.065 69 M CA 1.345 56.205 55.300 -0.733 0.000 1.076 69 M CB -0.047 32.001 32.600 -0.920 0.000 1.403 69 M HN 0.431 nan 8.290 nan 0.000 0.454 70 G N 0.495 109.156 108.800 -0.232 0.000 2.149 70 G HA2 -0.191 3.772 3.960 0.006 0.000 0.235 70 G HA3 -0.191 3.772 3.960 0.006 0.000 0.235 70 G C -0.140 174.669 174.900 -0.151 0.000 1.018 70 G CA 0.076 45.079 45.100 -0.161 0.000 0.728 70 G HN 0.355 nan 8.290 nan 0.000 0.508 71 V N 0.938 120.754 119.914 -0.163 0.000 2.583 71 V HA 0.587 4.710 4.120 0.006 0.000 0.287 71 V C 1.656 177.695 176.094 -0.092 0.000 1.051 71 V CA 1.073 63.306 62.300 -0.111 0.000 1.010 71 V CB 1.582 33.327 31.823 -0.130 0.000 0.988 71 V HN 0.828 nan 8.190 nan 0.000 0.478 72 T N 1.539 116.051 114.554 -0.071 0.000 3.010 72 T HA 0.590 4.943 4.350 0.006 0.000 0.257 72 T C 0.159 174.823 174.700 -0.060 0.000 1.020 72 T CA 0.440 62.486 62.100 -0.091 0.000 0.938 72 T CB 0.411 69.191 68.868 -0.146 0.000 1.049 72 T HN 0.959 nan 8.240 nan 0.000 0.522 73 A N 1.517 124.353 122.820 0.028 0.000 2.574 73 A HA 0.740 5.064 4.320 0.006 0.000 0.297 73 A C -1.180 176.534 177.584 0.216 0.000 1.062 73 A CA -1.192 50.927 52.037 0.136 0.000 0.686 73 A CB 1.115 20.263 19.000 0.248 0.000 1.285 73 A HN 0.757 nan 8.150 nan 0.000 0.403 74 I N -1.599 119.114 120.570 0.240 0.000 2.447 74 I HA 0.709 4.882 4.170 0.006 0.000 0.287 74 I C -0.986 175.335 176.117 0.340 0.000 1.023 74 I CA -0.597 60.854 61.300 0.251 0.000 1.083 74 I CB 1.694 39.775 38.000 0.135 0.000 1.245 74 I HN 0.759 nan 8.210 nan 0.000 0.434 75 W N 9.786 131.182 121.300 0.160 0.000 2.283 75 W HA 0.698 5.362 4.660 0.006 0.000 0.317 75 W C -0.777 175.771 176.519 0.047 0.000 1.042 75 W CA -1.835 55.592 57.345 0.136 0.000 1.348 75 W CB 0.464 30.044 29.460 0.200 0.000 1.216 75 W HN 0.662 nan 8.180 nan 0.000 0.404 76 I N 2.456 123.182 120.570 0.259 0.000 3.210 76 I HA 0.647 4.821 4.170 0.006 0.000 0.316 76 I C 0.393 176.535 176.117 0.041 0.000 1.067 76 I CA -0.897 60.436 61.300 0.055 0.000 1.047 76 I CB 1.069 39.152 38.000 0.138 0.000 1.352 76 I HN 0.238 nan 8.210 nan 0.000 0.565 77 S N 1.196 116.835 115.700 -0.102 0.000 2.579 77 S HA 0.053 4.526 4.470 0.006 0.000 0.275 77 S C -0.131 174.485 174.600 0.026 0.000 1.345 77 S CA -0.492 57.653 58.200 -0.092 0.000 1.031 77 S CB 0.603 63.663 63.200 -0.233 0.000 0.892 77 S HN 0.689 nan 8.310 nan 0.000 0.529 78 Q N 2.193 122.080 119.800 0.146 0.000 2.320 78 Q HA -0.025 4.319 4.340 0.006 0.000 0.311 78 Q C -1.717 174.362 176.000 0.132 0.000 1.083 78 Q CA -0.801 55.087 55.803 0.140 0.000 1.001 78 Q CB 0.442 29.304 28.738 0.207 0.000 1.074 78 Q HN 0.321 nan 8.270 nan 0.000 0.379 79 P HA -0.116 nan 4.420 nan 0.000 0.219 79 P C 0.233 177.605 177.300 0.121 0.000 1.150 79 P CA 0.737 63.866 63.100 0.048 0.000 0.814 79 P CB -0.300 30.921 31.700 -0.798 0.000 0.787 80 V N 0.069 119.965 119.914 -0.030 0.000 3.209 80 V HA -0.047 4.076 4.120 0.006 0.000 0.305 80 V C 0.481 176.650 176.094 0.125 0.000 1.127 80 V CA -0.683 61.732 62.300 0.191 0.000 1.235 80 V CB -0.210 31.713 31.823 0.166 0.000 0.987 80 V HN 0.160 nan 8.190 nan 0.000 0.499 81 E N 4.182 124.461 120.200 0.132 0.000 2.351 81 E HA 0.130 4.483 4.350 0.006 0.000 0.266 81 E C 0.017 176.569 176.600 -0.080 0.000 1.031 81 E CA -0.083 56.331 56.400 0.023 0.000 0.911 81 E CB 0.126 29.884 29.700 0.096 0.000 0.986 81 E HN 0.901 nan 8.360 nan 0.000 0.446 82 N N 3.399 121.981 118.700 -0.196 0.000 2.478 82 N HA 0.280 5.024 4.740 0.006 0.000 0.275 82 N C 0.223 175.553 175.510 -0.300 0.000 1.221 82 N CA -0.759 52.181 53.050 -0.183 0.000 0.979 82 N CB 0.899 39.278 38.487 -0.180 0.000 1.202 82 N HN 0.507 nan 8.380 nan 0.000 0.564 83 I N -1.155 119.363 120.570 -0.087 0.000 2.754 83 I HA 0.023 4.196 4.170 0.006 0.000 0.285 83 I C 0.022 176.035 176.117 -0.172 0.000 1.166 83 I CA -0.099 61.188 61.300 -0.021 0.000 1.417 83 I CB 0.282 38.361 38.000 0.131 0.000 1.382 83 I HN 0.576 nan 8.210 nan 0.000 0.588 84 Y N 2.412 122.735 120.300 0.038 0.000 2.503 84 Y HA 0.069 4.622 4.550 0.006 0.000 0.278 84 Y C 1.893 177.814 175.900 0.035 0.000 1.111 84 Y CA 0.372 58.483 58.100 0.018 0.000 1.270 84 Y CB -0.645 37.798 38.460 -0.029 0.000 1.063 84 Y HN 0.738 nan 8.280 nan 0.000 0.548 85 S N 1.538 117.336 115.700 0.163 0.000 2.558 85 S HA 0.006 4.479 4.470 0.006 0.000 0.287 85 S C 0.028 174.675 174.600 0.078 0.000 1.321 85 S CA -0.208 58.034 58.200 0.069 0.000 1.048 85 S CB 0.258 63.438 63.200 -0.034 0.000 0.844 85 S HN 0.254 nan 8.310 nan 0.000 0.512 86 I N 2.920 123.516 120.570 0.043 0.000 2.317 86 I HA 0.234 4.407 4.170 0.006 0.000 0.286 86 I C 0.003 176.116 176.117 -0.006 0.000 1.119 86 I CA -0.466 60.870 61.300 0.061 0.000 1.228 86 I CB -0.197 37.840 38.000 0.061 0.000 1.476 86 I HN 0.629 nan 8.210 nan 0.000 0.514 87 I N 4.190 124.739 120.570 -0.034 0.000 2.948 87 I HA -0.104 4.070 4.170 0.006 0.000 0.290 87 I C 0.611 176.626 176.117 -0.170 0.000 1.226 87 I CA 0.595 61.764 61.300 -0.218 0.000 1.413 87 I CB 0.251 38.037 38.000 -0.357 0.000 1.352 87 I HN 0.572 nan 8.210 nan 0.000 0.597 88 N N 3.593 122.141 118.700 -0.253 0.000 2.399 88 N HA 0.349 5.092 4.740 0.006 0.000 0.284 88 N C -1.709 173.657 175.510 -0.241 0.000 1.025 88 N CA -0.568 52.399 53.050 -0.140 0.000 0.885 88 N CB 0.802 39.269 38.487 -0.033 0.000 1.339 88 N HN 0.318 nan 8.380 nan 0.000 0.487 89 Y N 2.822 123.189 120.300 0.111 0.000 2.402 89 Y HA 0.270 4.823 4.550 0.006 0.000 0.332 89 Y C 0.462 176.390 175.900 0.047 0.000 0.960 89 Y CA -0.720 57.430 58.100 0.083 0.000 1.228 89 Y CB 1.348 39.859 38.460 0.085 0.000 1.120 89 Y HN 0.712 nan 8.280 nan 0.000 0.491 90 S N 1.605 117.402 115.700 0.162 0.000 3.473 90 S HA -0.251 4.223 4.470 0.006 0.000 0.339 90 S C 1.306 175.950 174.600 0.072 0.000 1.148 90 S CA 1.311 59.567 58.200 0.093 0.000 0.969 90 S CB -1.492 61.758 63.200 0.082 0.000 0.936 90 S HN 1.468 nan 8.310 nan 0.000 0.530 91 G N -1.201 107.641 108.800 0.070 0.000 2.799 91 G HA2 -0.147 3.817 3.960 0.006 0.000 0.200 91 G HA3 -0.147 3.817 3.960 0.006 0.000 0.200 91 G C 0.154 175.090 174.900 0.060 0.000 1.206 91 G CA -0.126 45.005 45.100 0.052 0.000 0.827 91 G HN 1.908 nan 8.290 nan 0.000 0.511 92 V N 0.958 120.924 119.914 0.088 0.000 2.637 92 V HA 0.662 4.786 4.120 0.006 0.000 0.296 92 V C -0.131 176.029 176.094 0.111 0.000 1.046 92 V CA -0.775 61.581 62.300 0.094 0.000 1.066 92 V CB 1.195 33.082 31.823 0.107 0.000 0.968 92 V HN 0.330 nan 8.190 nan 0.000 0.483 93 N N 4.869 123.619 118.700 0.083 0.000 2.434 93 N HA 0.431 5.174 4.740 0.006 0.000 0.272 93 N C -0.492 175.096 175.510 0.129 0.000 1.040 93 N CA -0.174 52.927 53.050 0.085 0.000 0.956 93 N CB 0.792 39.311 38.487 0.054 0.000 1.108 93 N HN 0.862 nan 8.380 nan 0.000 0.481 94 N N -0.137 118.685 118.700 0.204 0.000 2.531 94 N HA 0.543 5.287 4.740 0.006 0.000 0.290 94 N C -0.335 175.345 175.510 0.284 0.000 1.257 94 N CA -0.360 52.867 53.050 0.296 0.000 0.863 94 N CB 1.937 40.767 38.487 0.572 0.000 1.320 94 N HN 0.530 nan 8.380 nan 0.000 0.538 95 T N -4.082 110.585 114.554 0.188 0.000 2.787 95 T HA 0.556 4.910 4.350 0.006 0.000 0.297 95 T C -0.167 174.173 174.700 -0.600 0.000 1.221 95 T CA -0.789 61.331 62.100 0.033 0.000 1.006 95 T CB 1.322 70.209 68.868 0.031 0.000 1.328 95 T HN 0.401 nan 8.240 nan 0.000 0.509 96 A N 0.150 122.612 122.820 -0.596 0.000 2.476 96 A HA 0.314 4.637 4.320 0.006 0.000 0.263 96 A C 1.297 178.135 177.584 -1.244 0.000 1.342 96 A CA -0.137 51.194 52.037 -1.176 0.000 0.926 96 A CB -1.520 17.262 19.000 -0.363 0.000 1.019 96 A HN 0.959 nan 8.150 nan 0.000 0.515 97 Y N 0.128 119.625 120.300 -1.339 0.000 2.315 97 Y HA -0.314 4.240 4.550 0.006 0.000 0.288 97 Y C 1.854 177.302 175.900 -0.752 0.000 1.154 97 Y CA 1.774 59.081 58.100 -1.321 0.000 1.229 97 Y CB -1.084 36.628 38.460 -1.247 0.000 0.980 97 Y HN 0.627 nan 8.280 nan 0.000 0.540 98 H N -1.049 116.956 119.070 -1.775 0.000 2.428 98 H HA 0.275 4.835 4.556 0.006 0.000 0.296 98 H C 1.985 176.803 175.328 -0.851 0.000 1.062 98 H CA 0.303 55.451 56.048 -1.500 0.000 1.350 98 H CB -0.840 27.892 29.762 -1.717 0.000 1.403 98 H HN 0.394 nan 8.280 nan 0.000 0.533 99 G N -0.662 107.834 108.800 -0.507 0.000 2.131 99 G HA2 -0.295 3.668 3.960 0.006 0.000 0.223 99 G HA3 -0.295 3.668 3.960 0.006 0.000 0.223 99 G C 0.221 175.225 174.900 0.174 0.000 0.990 99 G CA 0.372 45.426 45.100 -0.076 0.000 0.671 99 G HN 0.449 nan 8.290 nan 0.000 0.521 100 Y N -1.396 119.006 120.300 0.170 0.000 2.507 100 Y HA 0.361 4.914 4.550 0.006 0.000 0.263 100 Y C 1.260 177.338 175.900 0.296 0.000 1.093 100 Y CA -1.284 56.905 58.100 0.148 0.000 1.285 100 Y CB -0.076 38.475 38.460 0.152 0.000 1.115 100 Y HN 0.392 nan 8.280 nan 0.000 0.533 101 W N 2.521 124.003 121.300 0.304 0.000 2.081 101 W HA 0.628 5.292 4.660 0.006 0.000 0.433 101 W C 0.266 176.798 176.519 0.021 0.000 0.876 101 W CA -1.744 55.708 57.345 0.179 0.000 1.631 101 W CB -0.977 28.597 29.460 0.190 0.000 1.757 101 W HN -0.135 nan 8.180 nan 0.000 0.298 102 A N 3.547 126.442 122.820 0.125 0.000 2.316 102 A HA 0.612 4.936 4.320 0.006 0.000 0.284 102 A C 1.371 178.948 177.584 -0.010 0.000 1.115 102 A CA -0.484 51.475 52.037 -0.129 0.000 0.812 102 A CB 0.849 19.445 19.000 -0.674 0.000 1.064 102 A HN 0.651 nan 8.150 nan 0.000 0.489 103 R N 0.151 120.663 120.500 0.020 0.000 2.412 103 R HA 0.176 4.519 4.340 0.006 0.000 0.212 103 R C -1.154 175.344 176.300 0.329 0.000 0.878 103 R CA 0.452 56.693 56.100 0.235 0.000 1.022 103 R CB 0.665 31.126 30.300 0.268 0.000 1.265 103 R HN 0.539 nan 8.270 nan 0.000 0.620 104 D N 0.030 120.535 120.400 0.176 0.000 2.365 104 D HA 0.177 4.821 4.640 0.006 0.000 0.235 104 D C -0.487 176.000 176.300 0.312 0.000 1.368 104 D CA -0.591 53.611 54.000 0.337 0.000 1.001 104 D CB 0.748 41.724 40.800 0.293 0.000 1.364 104 D HN -0.005 nan 8.370 nan 0.000 0.577 105 F N 1.675 121.919 119.950 0.490 0.000 2.641 105 F HA 0.100 4.631 4.527 0.006 0.000 0.298 105 F C 2.208 178.352 175.800 0.572 0.000 1.146 105 F CA 0.665 58.976 58.000 0.519 0.000 1.464 105 F CB 0.178 39.430 39.000 0.420 0.000 1.101 105 F HN 0.156 nan 8.300 nan 0.000 0.585 106 K N -0.447 120.293 120.400 0.566 0.000 2.367 106 K HA 0.085 4.408 4.320 0.006 0.000 0.194 106 K C 0.424 177.143 176.600 0.199 0.000 1.027 106 K CA 0.314 56.786 56.287 0.309 0.000 1.075 106 K CB 0.405 33.085 32.500 0.299 0.000 0.845 106 K HN 0.014 nan 8.250 nan 0.000 0.529 107 K N 0.734 121.325 120.400 0.319 0.000 2.350 107 K HA 0.218 4.542 4.320 0.006 0.000 0.241 107 K C -0.018 176.834 176.600 0.419 0.000 0.994 107 K CA -0.508 55.941 56.287 0.270 0.000 0.839 107 K CB 1.954 34.574 32.500 0.200 0.000 1.244 107 K HN -0.024 nan 8.250 nan 0.000 0.443 108 T N -1.577 113.219 114.554 0.403 0.000 2.862 108 T HA 0.186 4.540 4.350 0.006 0.000 0.276 108 T C 0.295 175.139 174.700 0.240 0.000 0.974 108 T CA -0.798 61.592 62.100 0.482 0.000 0.966 108 T CB 0.798 70.050 68.868 0.640 0.000 1.072 108 T HN 0.424 nan 8.240 nan 0.000 0.538 109 N N 1.723 120.500 118.700 0.128 0.000 2.414 109 N HA 0.236 4.980 4.740 0.006 0.000 0.256 109 N C -1.768 173.635 175.510 -0.180 0.000 1.029 109 N CA -2.275 50.697 53.050 -0.130 0.000 0.948 109 N CB 1.335 39.581 38.487 -0.401 0.000 1.102 109 N HN 0.265 nan 8.380 nan 0.000 0.496 110 P HA -0.186 nan 4.420 nan 0.000 0.216 110 P C 0.912 178.110 177.300 -0.169 0.000 1.154 110 P CA 1.540 64.599 63.100 -0.068 0.000 0.865 110 P CB 0.158 31.856 31.700 -0.004 0.000 0.789 111 A N -0.973 121.660 122.820 -0.310 0.000 1.865 111 A HA -0.242 4.082 4.320 0.006 0.000 0.217 111 A C 2.198 179.629 177.584 -0.255 0.000 1.191 111 A CA 1.703 53.535 52.037 -0.342 0.000 0.623 111 A CB -1.967 16.709 19.000 -0.539 0.000 0.826 111 A HN 0.097 nan 8.150 nan 0.000 0.444 112 Y N -0.582 119.481 120.300 -0.395 0.000 2.224 112 Y HA 0.278 4.832 4.550 0.006 0.000 0.289 112 Y C 1.698 177.050 175.900 -0.914 0.000 1.146 112 Y CA 0.464 58.065 58.100 -0.832 0.000 1.182 112 Y CB -0.914 36.734 38.460 -1.353 0.000 0.983 112 Y HN 0.576 nan 8.280 nan 0.000 0.524 113 G N -1.432 107.111 108.800 -0.428 0.000 2.362 113 G HA2 0.286 4.249 3.960 0.006 0.000 0.288 113 G HA3 0.286 4.249 3.960 0.006 0.000 0.288 113 G C -0.810 174.267 174.900 0.295 0.000 1.305 113 G CA -0.532 44.603 45.100 0.057 0.000 0.910 113 G HN 0.263 nan 8.290 nan 0.000 0.518 114 T N -1.657 113.167 114.554 0.449 0.000 2.948 114 T HA 0.588 4.941 4.350 0.006 0.000 0.285 114 T C 1.724 176.726 174.700 0.503 0.000 1.019 114 T CA -0.189 62.148 62.100 0.396 0.000 1.013 114 T CB 1.070 70.081 68.868 0.238 0.000 1.117 114 T HN 0.662 nan 8.240 nan 0.000 0.533 115 I N 1.055 121.841 120.570 0.361 0.000 2.185 115 I HA -0.192 3.981 4.170 0.006 0.000 0.246 115 I C 2.975 179.259 176.117 0.278 0.000 1.088 115 I CA 2.121 63.607 61.300 0.311 0.000 1.347 115 I CB -2.223 35.885 38.000 0.180 0.000 1.041 115 I HN 0.883 nan 8.210 nan 0.000 0.415 116 A N 0.848 123.798 122.820 0.217 0.000 1.877 116 A HA -0.247 4.077 4.320 0.006 0.000 0.216 116 A C 2.045 179.734 177.584 0.177 0.000 1.186 116 A CA 2.209 54.342 52.037 0.160 0.000 0.620 116 A CB -0.978 18.097 19.000 0.126 0.000 0.822 116 A HN 0.386 nan 8.150 nan 0.000 0.443 117 D N -1.361 119.200 120.400 0.269 0.000 2.133 117 D HA -0.179 4.465 4.640 0.006 0.000 0.195 117 D C 1.545 177.996 176.300 0.252 0.000 0.997 117 D CA 1.676 55.872 54.000 0.327 0.000 0.840 117 D CB -0.265 40.847 40.800 0.521 0.000 0.947 117 D HN 0.469 nan 8.370 nan 0.000 0.452 118 F N 1.387 121.347 119.950 0.018 0.000 2.084 118 F HA -0.148 4.382 4.527 0.006 0.000 0.296 118 F C 2.211 177.872 175.800 -0.231 0.000 1.111 118 F CA 1.388 59.120 58.000 -0.446 0.000 1.224 118 F CB -0.326 38.326 39.000 -0.579 0.000 0.991 118 F HN -0.082 nan 8.300 nan 0.000 0.471 119 Q N -0.021 119.730 119.800 -0.082 0.000 2.181 119 Q HA -0.249 4.095 4.340 0.006 0.000 0.205 119 Q C 1.855 177.737 176.000 -0.196 0.000 0.980 119 Q CA 1.931 57.645 55.803 -0.148 0.000 0.862 119 Q CB -0.636 28.105 28.738 0.005 0.000 0.905 119 Q HN 0.629 nan 8.270 nan 0.000 0.429 120 N N 0.209 118.839 118.700 -0.115 0.000 2.244 120 N HA -0.126 4.618 4.740 0.006 0.000 0.183 120 N C 1.648 177.065 175.510 -0.154 0.000 1.016 120 N CA 0.259 53.258 53.050 -0.084 0.000 0.866 120 N CB 0.033 38.522 38.487 0.004 0.000 0.980 120 N HN 0.074 nan 8.380 nan 0.000 0.430 121 L N 1.051 122.114 121.223 -0.268 0.000 2.056 121 L HA -0.024 4.319 4.340 0.006 0.000 0.207 121 L C 1.686 178.301 176.870 -0.426 0.000 1.078 121 L CA 1.405 56.045 54.840 -0.332 0.000 0.749 121 L CB -0.436 41.318 42.059 -0.508 0.000 0.901 121 L HN 0.162 nan 8.230 nan 0.000 0.433 122 I N -0.064 120.136 120.570 -0.617 0.000 2.394 122 I HA -0.165 4.008 4.170 0.006 0.000 0.251 122 I C 2.521 178.295 176.117 -0.571 0.000 1.136 122 I CA 1.328 62.223 61.300 -0.674 0.000 1.425 122 I CB -1.586 35.989 38.000 -0.707 0.000 1.079 122 I HN 0.356 nan 8.210 nan 0.000 0.425 123 A N 0.468 123.092 122.820 -0.326 0.000 1.930 123 A HA 0.083 4.406 4.320 0.006 0.000 0.215 123 A C 2.528 180.056 177.584 -0.094 0.000 1.176 123 A CA 1.275 53.213 52.037 -0.164 0.000 0.632 123 A CB -0.488 18.452 19.000 -0.099 0.000 0.819 123 A HN 0.359 nan 8.150 nan 0.000 0.445 124 A N -0.066 122.689 122.820 -0.108 0.000 1.930 124 A HA 0.238 4.562 4.320 0.006 0.000 0.217 124 A C 2.426 179.986 177.584 -0.040 0.000 1.175 124 A CA 1.860 53.863 52.037 -0.057 0.000 0.627 124 A CB -0.785 18.187 19.000 -0.047 0.000 0.815 124 A HN 0.894 nan 8.150 nan 0.000 0.443 125 A N -1.113 121.665 122.820 -0.071 0.000 1.898 125 A HA -0.085 4.239 4.320 0.006 0.000 0.214 125 A C 1.924 179.549 177.584 0.069 0.000 1.183 125 A CA 1.322 53.347 52.037 -0.020 0.000 0.622 125 A CB -0.950 18.023 19.000 -0.045 0.000 0.824 125 A HN 0.717 nan 8.150 nan 0.000 0.444 126 H N -0.640 118.390 119.070 -0.066 0.000 2.387 126 H HA -0.079 4.480 4.556 0.006 0.000 0.299 126 H C 2.343 177.638 175.328 -0.054 0.000 1.099 126 H CA 0.634 56.645 56.048 -0.061 0.000 1.315 126 H CB 0.070 29.797 29.762 -0.060 0.000 1.380 126 H HN 0.560 nan 8.280 nan 0.000 0.513 127 A N 0.937 123.805 122.820 0.080 0.000 2.172 127 A HA -0.110 4.213 4.320 0.006 0.000 0.216 127 A C 1.693 179.279 177.584 0.004 0.000 1.154 127 A CA 1.106 53.159 52.037 0.026 0.000 0.701 127 A CB 0.012 19.019 19.000 0.011 0.000 0.789 127 A HN 0.338 nan 8.150 nan 0.000 0.465 128 K N -1.071 119.331 120.400 0.004 0.000 2.438 128 K HA 0.147 4.471 4.320 0.006 0.000 0.205 128 K C -0.342 176.239 176.600 -0.032 0.000 1.033 128 K CA -0.155 56.123 56.287 -0.015 0.000 1.089 128 K CB 0.414 32.905 32.500 -0.014 0.000 0.857 128 K HN 0.347 nan 8.250 nan 0.000 0.522 129 N N 0.895 119.573 118.700 -0.036 0.000 2.882 129 N HA -0.156 4.588 4.740 0.006 0.000 0.249 129 N C -0.699 174.767 175.510 -0.074 0.000 1.079 129 N CA 0.718 53.725 53.050 -0.073 0.000 0.800 129 N CB -1.280 37.155 38.487 -0.087 0.000 1.124 129 N HN 0.252 nan 8.380 nan 0.000 0.557 130 I N 1.307 121.863 120.570 -0.024 0.000 2.336 130 I HA 0.187 4.360 4.170 0.006 0.000 0.292 130 I C 0.779 176.931 176.117 0.058 0.000 0.991 130 I CA -0.365 60.931 61.300 -0.006 0.000 1.227 130 I CB 1.308 39.310 38.000 0.004 0.000 1.366 130 I HN -0.192 nan 8.210 nan 0.000 0.466 131 K N 4.597 125.015 120.400 0.029 0.000 2.090 131 K HA 0.640 4.963 4.320 0.006 0.000 0.250 131 K C -1.028 175.701 176.600 0.215 0.000 1.004 131 K CA -0.694 55.660 56.287 0.111 0.000 0.919 131 K CB 1.751 34.234 32.500 -0.030 0.000 1.045 131 K HN 0.272 nan 8.250 nan 0.000 0.471 132 V N 3.250 123.328 119.914 0.273 0.000 2.443 132 V HA 0.371 4.494 4.120 0.006 0.000 0.293 132 V C -0.457 175.821 176.094 0.306 0.000 1.021 132 V CA -0.761 61.680 62.300 0.235 0.000 0.848 132 V CB 1.105 32.980 31.823 0.087 0.000 0.998 132 V HN 0.583 nan 8.190 nan 0.000 0.424 133 I N 6.171 126.943 120.570 0.336 0.000 2.378 133 I HA 0.539 4.713 4.170 0.006 0.000 0.291 133 I C -0.106 176.180 176.117 0.282 0.000 0.992 133 I CA -0.453 61.026 61.300 0.299 0.000 1.154 133 I CB 1.611 39.806 38.000 0.326 0.000 1.315 133 I HN 0.611 nan 8.210 nan 0.000 0.448 134 I N 1.536 122.214 120.570 0.179 0.000 2.525 134 I HA 0.571 4.745 4.170 0.006 0.000 0.301 134 I C -0.642 175.528 176.117 0.089 0.000 0.992 134 I CA -0.844 60.548 61.300 0.154 0.000 1.162 134 I CB 1.388 39.420 38.000 0.055 0.000 1.332 134 I HN 0.295 nan 8.210 nan 0.000 0.458 135 D N 3.906 124.401 120.400 0.159 0.000 2.345 135 D HA 0.393 5.036 4.640 0.006 0.000 0.247 135 D C -1.323 175.093 176.300 0.193 0.000 1.108 135 D CA 0.520 54.600 54.000 0.133 0.000 0.894 135 D CB 1.278 42.217 40.800 0.231 0.000 1.203 135 D HN 0.421 nan 8.370 nan 0.000 0.430 136 F N 1.279 121.207 119.950 -0.036 0.000 2.585 136 F HA 0.507 5.037 4.527 0.005 0.000 0.319 136 F C -1.039 174.778 175.800 0.027 0.000 1.165 136 F CA -1.204 56.816 58.000 0.032 0.000 0.949 136 F CB 1.540 40.575 39.000 0.058 0.000 1.218 136 F HN 0.271 nan 8.300 nan 0.000 0.453 137 A N 7.668 130.315 122.820 -0.288 0.000 2.786 137 A HA 0.556 4.879 4.320 0.006 0.000 0.346 137 A C -2.412 174.970 177.584 -0.338 0.000 1.265 137 A CA -1.216 50.649 52.037 -0.286 0.000 0.858 137 A CB -0.127 18.721 19.000 -0.252 0.000 1.118 137 A HN 0.454 nan 8.150 nan 0.000 0.482 138 P HA 0.013 nan 4.420 nan 0.000 0.253 138 P C 0.765 177.971 177.300 -0.156 0.000 1.260 138 P CA 0.369 63.190 63.100 -0.466 0.000 0.800 138 P CB 0.280 31.747 31.700 -0.388 0.000 1.162 139 N N 0.790 119.418 118.700 -0.120 0.000 2.092 139 N HA -0.105 4.639 4.740 0.006 0.000 0.189 139 N C 1.011 176.590 175.510 0.114 0.000 1.040 139 N CA 1.142 54.230 53.050 0.062 0.000 0.845 139 N CB -0.110 38.503 38.487 0.210 0.000 1.017 139 N HN 0.206 nan 8.380 nan 0.000 0.426 140 H N -3.536 115.554 119.070 0.033 0.000 3.024 140 H HA 0.467 5.026 4.556 0.006 0.000 0.305 140 H C 0.311 175.742 175.328 0.172 0.000 1.506 140 H CA 0.029 56.106 56.048 0.048 0.000 1.324 140 H CB 0.611 30.364 29.762 -0.016 0.000 1.925 140 H HN 0.166 nan 8.280 nan 0.000 0.661 141 T N -1.425 113.257 114.554 0.214 0.000 3.518 141 T HA 0.314 4.668 4.350 0.006 0.000 0.211 141 T C 0.609 175.425 174.700 0.193 0.000 0.940 141 T CA 0.670 62.891 62.100 0.201 0.000 1.307 141 T CB -0.487 68.520 68.868 0.233 0.000 1.392 141 T HN 0.795 nan 8.240 nan 0.000 0.382 142 S N 0.930 116.667 115.700 0.061 0.000 2.794 142 S HA 0.738 5.212 4.470 0.006 0.000 0.299 142 S C -3.312 171.129 174.600 -0.266 0.000 1.179 142 S CA -1.586 56.576 58.200 -0.064 0.000 0.838 142 S CB 1.124 64.305 63.200 -0.031 0.000 1.206 142 S HN 0.238 nan 8.310 nan 0.000 0.523 143 P HA 0.607 nan 4.420 nan 0.000 0.275 143 P C -0.951 176.261 177.300 -0.146 0.000 1.227 143 P CA 0.078 62.995 63.100 -0.305 0.000 0.781 143 P CB 0.821 32.303 31.700 -0.362 0.000 0.906 144 A N 1.713 124.529 122.820 -0.007 0.000 2.581 144 A HA 0.756 5.079 4.320 0.006 0.000 0.290 144 A C -1.175 176.522 177.584 0.189 0.000 1.119 144 A CA -0.450 51.645 52.037 0.097 0.000 0.670 144 A CB 1.293 20.196 19.000 -0.162 0.000 1.280 144 A HN 0.401 nan 8.150 nan 0.000 0.425 145 S N -0.337 115.523 115.700 0.267 0.000 2.720 145 S HA 0.488 4.962 4.470 0.006 0.000 0.278 145 S C 0.764 175.486 174.600 0.203 0.000 1.172 145 S CA 0.324 58.628 58.200 0.174 0.000 1.019 145 S CB 1.033 64.227 63.200 -0.011 0.000 1.049 145 S HN 1.404 nan 8.310 nan 0.000 0.483 146 S N 3.918 119.732 115.700 0.190 0.000 2.359 146 S HA -0.185 4.289 4.470 0.006 0.000 0.223 146 S C 0.843 175.444 174.600 0.001 0.000 1.039 146 S CA 2.125 60.329 58.200 0.007 0.000 1.042 146 S CB -0.820 62.320 63.200 -0.101 0.000 0.915 146 S HN 0.895 nan 8.310 nan 0.000 0.439 147 D N 1.320 121.721 120.400 0.001 0.000 2.363 147 D HA 0.062 4.705 4.640 0.006 0.000 0.226 147 D C 0.294 176.596 176.300 0.004 0.000 1.020 147 D CA 0.429 54.423 54.000 -0.010 0.000 0.892 147 D CB -0.051 40.735 40.800 -0.023 0.000 0.900 147 D HN 0.371 nan 8.370 nan 0.000 0.531 148 Q N 0.045 119.865 119.800 0.033 0.000 3.021 148 Q HA 0.144 4.487 4.340 0.006 0.000 0.234 148 Q C -2.155 173.911 176.000 0.111 0.000 0.930 148 Q CA -1.356 54.480 55.803 0.056 0.000 0.714 148 Q CB 2.167 30.923 28.738 0.030 0.000 1.325 148 Q HN 0.033 nan 8.270 nan 0.000 0.473 149 P HA -0.185 nan 4.420 nan 0.000 0.216 149 P C 1.425 178.779 177.300 0.090 0.000 1.150 149 P CA 1.433 64.583 63.100 0.083 0.000 0.837 149 P CB 0.228 31.959 31.700 0.051 0.000 0.786 150 S N -1.399 114.353 115.700 0.087 0.000 2.469 150 S HA -0.130 4.343 4.470 0.006 0.000 0.238 150 S C 0.636 175.295 174.600 0.098 0.000 0.998 150 S CA 0.039 58.285 58.200 0.076 0.000 0.957 150 S CB -1.435 61.802 63.200 0.062 0.000 0.764 150 S HN 0.067 nan 8.310 nan 0.000 0.514 151 F N 3.660 123.600 119.950 -0.016 0.000 2.471 151 F HA 0.525 5.055 4.527 0.006 0.000 0.365 151 F C 0.931 176.703 175.800 -0.047 0.000 1.095 151 F CA -0.318 57.658 58.000 -0.039 0.000 1.174 151 F CB -0.175 38.797 39.000 -0.047 0.000 1.105 151 F HN 0.460 nan 8.300 nan 0.000 0.535 152 A N 4.807 127.179 122.820 -0.747 0.000 5.255 152 A HA -0.349 3.975 4.320 0.006 0.000 0.295 152 A C 0.858 178.290 177.584 -0.254 0.000 2.040 152 A CA 1.295 52.940 52.037 -0.653 0.000 0.716 152 A CB -1.651 16.756 19.000 -0.988 0.000 1.229 152 A HN 0.796 nan 8.150 nan 0.000 0.358 153 E N 0.425 120.517 120.200 -0.180 0.000 2.968 153 E HA 0.271 4.625 4.350 0.006 0.000 0.202 153 E C 0.227 176.827 176.600 0.001 0.000 0.979 153 E CA 0.492 56.878 56.400 -0.023 0.000 1.192 153 E CB -0.102 29.638 29.700 0.066 0.000 1.059 153 E HN 0.670 nan 8.360 nan 0.000 0.470 154 N N 0.613 119.300 118.700 -0.020 0.000 2.696 154 N HA -0.257 4.486 4.740 0.006 0.000 0.249 154 N C 0.693 176.177 175.510 -0.043 0.000 1.090 154 N CA 0.431 53.495 53.050 0.023 0.000 0.716 154 N CB -0.737 37.787 38.487 0.061 0.000 1.020 154 N HN 0.560 nan 8.380 nan 0.000 0.548 155 G N 0.256 108.989 108.800 -0.112 0.000 2.337 155 G HA2 -0.375 3.588 3.960 0.006 0.000 0.290 155 G HA3 -0.375 3.588 3.960 0.006 0.000 0.290 155 G C 0.291 175.155 174.900 -0.061 0.000 1.003 155 G CA 0.856 45.839 45.100 -0.195 0.000 0.825 155 G HN 0.663 nan 8.290 nan 0.000 0.509 156 R N -1.161 119.368 120.500 0.048 0.000 2.638 156 R HA 0.245 4.588 4.340 0.006 0.000 0.268 156 R C 0.121 176.507 176.300 0.143 0.000 1.006 156 R CA 0.030 56.169 56.100 0.066 0.000 1.088 156 R CB 0.308 30.594 30.300 -0.024 0.000 0.950 156 R HN 0.314 nan 8.270 nan 0.000 0.419 157 L N 4.510 125.779 121.223 0.076 0.000 2.342 157 L HA 0.328 4.672 4.340 0.006 0.000 0.276 157 L C -1.492 175.330 176.870 -0.079 0.000 0.997 157 L CA -0.455 54.475 54.840 0.150 0.000 0.838 157 L CB 0.835 43.020 42.059 0.210 0.000 1.224 157 L HN 0.406 nan 8.230 nan 0.000 0.416 158 Y N 2.153 122.524 120.300 0.120 0.000 2.408 158 Y HA 0.513 5.066 4.550 0.006 0.000 0.324 158 Y C 0.371 176.269 175.900 -0.002 0.000 1.302 158 Y CA -0.310 57.828 58.100 0.063 0.000 1.384 158 Y CB 0.942 39.469 38.460 0.112 0.000 1.367 158 Y HN 0.549 nan 8.280 nan 0.000 0.525 159 D N 1.174 121.671 120.400 0.161 0.000 2.552 159 D HA 0.100 4.743 4.640 0.006 0.000 0.285 159 D C -0.700 175.728 176.300 0.213 0.000 1.206 159 D CA -0.327 53.726 54.000 0.088 0.000 0.826 159 D CB -0.644 40.075 40.800 -0.135 0.000 1.179 159 D HN 0.639 nan 8.370 nan 0.000 0.508 160 N N 2.113 120.978 118.700 0.275 0.000 2.780 160 N HA -0.211 4.532 4.740 0.006 0.000 0.248 160 N C 0.955 176.554 175.510 0.148 0.000 1.102 160 N CA 2.154 55.323 53.050 0.198 0.000 0.697 160 N CB -1.071 37.516 38.487 0.168 0.000 1.028 160 N HN 0.718 nan 8.380 nan 0.000 0.554 161 G N -2.629 106.272 108.800 0.167 0.000 2.397 161 G HA2 -0.262 3.702 3.960 0.006 0.000 0.211 161 G HA3 -0.262 3.702 3.960 0.006 0.000 0.211 161 G C 0.090 175.124 174.900 0.223 0.000 1.077 161 G CA 0.355 45.532 45.100 0.128 0.000 0.649 161 G HN 1.271 nan 8.290 nan 0.000 0.511 162 T N 1.827 116.491 114.554 0.183 0.000 2.750 162 T HA 0.567 4.920 4.350 0.006 0.000 0.286 162 T C 0.701 175.489 174.700 0.146 0.000 0.911 162 T CA -0.405 61.782 62.100 0.145 0.000 1.130 162 T CB 1.533 70.447 68.868 0.077 0.000 0.873 162 T HN 0.560 nan 8.240 nan 0.000 0.536 163 L N 4.843 126.149 121.223 0.140 0.000 2.628 163 L HA 0.021 4.364 4.340 0.006 0.000 0.274 163 L C 1.149 177.926 176.870 -0.155 0.000 1.209 163 L CA 0.035 54.794 54.840 -0.134 0.000 0.930 163 L CB 0.274 42.247 42.059 -0.143 0.000 1.183 163 L HN 0.799 nan 8.230 nan 0.000 0.492 164 L N 4.406 125.491 121.223 -0.230 0.000 2.121 164 L HA 0.224 4.567 4.340 0.006 0.000 0.200 164 L C 0.998 177.782 176.870 -0.143 0.000 1.077 164 L CA 1.069 55.800 54.840 -0.183 0.000 0.766 164 L CB -0.152 41.762 42.059 -0.241 0.000 0.931 164 L HN 0.792 nan 8.230 nan 0.000 0.452 165 G N -1.805 106.915 108.800 -0.132 0.000 2.342 165 G HA2 0.472 4.435 3.960 0.006 0.000 0.297 165 G HA3 0.472 4.435 3.960 0.006 0.000 0.297 165 G C -1.536 173.434 174.900 0.116 0.000 1.313 165 G CA 0.032 45.122 45.100 -0.017 0.000 0.830 165 G HN 0.275 nan 8.290 nan 0.000 0.506 166 G N -2.165 106.781 108.800 0.243 0.000 2.694 166 G HA2 0.500 4.463 3.960 0.006 0.000 0.290 166 G HA3 0.500 4.463 3.960 0.006 0.000 0.290 166 G C 0.133 175.252 174.900 0.364 0.000 1.386 166 G CA -0.259 45.004 45.100 0.272 0.000 0.872 166 G HN 0.559 nan 8.290 nan 0.000 0.475 167 Y N 0.941 121.170 120.300 -0.119 0.000 2.097 167 Y HA -0.049 4.504 4.550 0.006 0.000 0.282 167 Y C 2.162 178.135 175.900 0.122 0.000 1.152 167 Y CA 1.768 59.785 58.100 -0.139 0.000 1.136 167 Y CB -0.409 37.870 38.460 -0.301 0.000 0.975 167 Y HN 0.336 nan 8.280 nan 0.000 0.498 168 T N 2.472 117.084 114.554 0.098 0.000 2.834 168 T HA 0.060 4.413 4.350 0.006 0.000 0.298 168 T C 0.209 174.915 174.700 0.010 0.000 0.966 168 T CA 0.238 62.343 62.100 0.009 0.000 1.141 168 T CB 0.075 68.958 68.868 0.026 0.000 0.905 168 T HN 0.357 nan 8.240 nan 0.000 0.535 169 N N 1.543 120.213 118.700 -0.050 0.000 2.815 169 N HA -0.138 4.605 4.740 0.006 0.000 0.248 169 N C -0.633 174.863 175.510 -0.022 0.000 1.110 169 N CA 0.309 53.331 53.050 -0.048 0.000 0.699 169 N CB -1.058 37.416 38.487 -0.022 0.000 1.040 169 N HN 0.759 nan 8.380 nan 0.000 0.555 170 D N 0.063 120.451 120.400 -0.020 0.000 2.540 170 D HA 0.137 4.780 4.640 0.006 0.000 0.237 170 D C 1.182 177.463 176.300 -0.032 0.000 1.181 170 D CA 0.599 54.641 54.000 0.071 0.000 1.119 170 D CB -0.036 40.966 40.800 0.338 0.000 1.119 170 D HN 0.352 nan 8.370 nan 0.000 0.498 171 T N 0.304 114.838 114.554 -0.033 0.000 2.978 171 T HA -0.115 4.238 4.350 0.006 0.000 0.262 171 T C 1.719 176.395 174.700 -0.040 0.000 1.063 171 T CA 0.569 62.640 62.100 -0.049 0.000 1.140 171 T CB 0.008 68.851 68.868 -0.042 0.000 0.886 171 T HN 0.336 nan 8.240 nan 0.000 0.470 172 Q N 0.986 120.765 119.800 -0.034 0.000 2.230 172 Q HA 0.044 4.387 4.340 0.006 0.000 0.202 172 Q C 0.137 176.103 176.000 -0.056 0.000 0.963 172 Q CA 0.446 56.219 55.803 -0.049 0.000 0.866 172 Q CB -0.148 28.549 28.738 -0.070 0.000 0.931 172 Q HN 0.533 nan 8.270 nan 0.000 0.452 173 N N -1.083 117.595 118.700 -0.036 0.000 2.862 173 N HA -0.145 4.598 4.740 0.006 0.000 0.246 173 N C 0.079 175.514 175.510 -0.124 0.000 1.111 173 N CA 0.072 53.112 53.050 -0.017 0.000 0.688 173 N CB -1.317 37.159 38.487 -0.018 0.000 1.018 173 N HN 0.147 nan 8.380 nan 0.000 0.556 174 L N -1.797 119.272 121.223 -0.257 0.000 2.291 174 L HA 0.122 4.466 4.340 0.006 0.000 0.214 174 L C 0.489 176.875 176.870 -0.807 0.000 1.120 174 L CA 0.964 55.447 54.840 -0.594 0.000 0.799 174 L CB -0.174 41.356 42.059 -0.882 0.000 0.925 174 L HN 0.114 nan 8.230 nan 0.000 0.446 175 F N -2.570 117.350 119.950 -0.051 0.000 2.639 175 F HA 0.433 4.964 4.527 0.006 0.000 0.339 175 F C 0.388 176.069 175.800 -0.198 0.000 1.071 175 F CA -1.190 56.728 58.000 -0.137 0.000 0.994 175 F CB 0.609 39.635 39.000 0.044 0.000 1.341 175 F HN -0.266 nan 8.300 nan 0.000 0.498 176 H N -0.469 118.656 119.070 0.091 0.000 2.482 176 H HA 0.381 4.940 4.556 0.005 0.000 0.344 176 H C -0.645 174.559 175.328 -0.206 0.000 1.151 176 H CA -0.417 55.639 56.048 0.013 0.000 1.300 176 H CB 0.809 30.597 29.762 0.042 0.000 1.494 176 H HN 0.460 nan 8.280 nan 0.000 0.542 177 H N 2.215 121.428 119.070 0.238 0.000 2.825 177 H HA 0.136 4.696 4.556 0.006 0.000 0.226 177 H C -0.408 174.942 175.328 0.038 0.000 1.414 177 H CA -0.260 55.846 56.048 0.097 0.000 1.198 177 H CB 0.224 29.963 29.762 -0.038 0.000 2.013 177 H HN 0.676 nan 8.280 nan 0.000 0.530 178 N N 1.201 119.960 118.700 0.098 0.000 2.401 178 N HA 0.182 4.925 4.740 0.006 0.000 0.264 178 N C 0.984 176.488 175.510 -0.010 0.000 1.238 178 N CA 0.386 53.445 53.050 0.015 0.000 0.889 178 N CB 2.159 40.623 38.487 -0.039 0.000 1.196 178 N HN 0.625 nan 8.380 nan 0.000 0.511 179 G N 0.175 108.986 108.800 0.019 0.000 2.804 179 G HA2 -0.197 3.767 3.960 0.006 0.000 0.230 179 G HA3 -0.197 3.767 3.960 0.006 0.000 0.230 179 G C 0.185 175.052 174.900 -0.055 0.000 1.386 179 G CA -0.496 44.598 45.100 -0.009 0.000 0.875 179 G HN 0.417 nan 8.290 nan 0.000 0.557 180 G N -1.470 107.280 108.800 -0.085 0.000 2.588 180 G HA2 0.656 4.619 3.960 0.006 0.000 0.281 180 G HA3 0.656 4.619 3.960 0.006 0.000 0.281 180 G C 0.288 175.057 174.900 -0.219 0.000 1.236 180 G CA 0.952 45.959 45.100 -0.156 0.000 0.969 180 G HN 1.363 nan 8.290 nan 0.000 0.504 181 T N -1.208 113.128 114.554 -0.362 0.000 2.902 181 T HA 0.356 4.710 4.350 0.006 0.000 0.283 181 T C 0.497 174.881 174.700 -0.527 0.000 1.009 181 T CA -0.242 61.566 62.100 -0.487 0.000 1.051 181 T CB 1.254 69.687 68.868 -0.725 0.000 0.999 181 T HN 0.575 nan 8.240 nan 0.000 0.474 182 D N 2.415 122.594 120.400 -0.368 0.000 2.433 182 D HA 0.045 4.688 4.640 0.006 0.000 0.211 182 D C 0.469 176.777 176.300 0.014 0.000 1.114 182 D CA -0.179 53.731 54.000 -0.150 0.000 0.837 182 D CB -0.249 40.520 40.800 -0.052 0.000 0.984 182 D HN 0.626 nan 8.370 nan 0.000 0.505 183 F N 0.713 120.629 119.950 -0.058 0.000 2.914 183 F HA -0.334 4.197 4.527 0.006 0.000 0.304 183 F C 2.097 177.866 175.800 -0.052 0.000 0.712 183 F CA 0.691 58.661 58.000 -0.050 0.000 1.211 183 F CB -2.547 36.430 39.000 -0.039 0.000 1.515 183 F HN 0.167 nan 8.300 nan 0.000 0.350 184 S N -0.255 115.477 115.700 0.054 0.000 2.353 184 S HA -0.088 4.385 4.470 0.006 0.000 0.222 184 S C 1.014 175.614 174.600 0.001 0.000 1.035 184 S CA 1.616 59.828 58.200 0.021 0.000 1.025 184 S CB -0.311 62.878 63.200 -0.018 0.000 0.902 184 S HN 0.767 nan 8.310 nan 0.000 0.440 185 T N -3.545 110.983 114.554 -0.043 0.000 2.909 185 T HA 0.524 4.877 4.350 0.006 0.000 0.299 185 T C 0.636 175.267 174.700 -0.116 0.000 1.073 185 T CA -0.165 61.892 62.100 -0.072 0.000 0.999 185 T CB 1.346 70.147 68.868 -0.111 0.000 1.098 185 T HN -0.009 nan 8.240 nan 0.000 0.477 186 T N 0.848 115.338 114.554 -0.107 0.000 2.685 186 T HA -0.195 4.158 4.350 0.006 0.000 0.268 186 T C 1.629 176.153 174.700 -0.293 0.000 1.034 186 T CA 2.329 64.340 62.100 -0.148 0.000 1.149 186 T CB -0.429 68.417 68.868 -0.035 0.000 0.860 186 T HN 0.872 nan 8.240 nan 0.000 0.449 187 E N 0.843 120.751 120.200 -0.486 0.000 2.028 187 E HA -0.187 4.166 4.350 0.006 0.000 0.191 187 E C 2.112 178.556 176.600 -0.262 0.000 0.988 187 E CA 1.552 57.517 56.400 -0.725 0.000 0.799 187 E CB -0.370 28.602 29.700 -1.213 0.000 0.755 187 E HN 0.574 nan 8.360 nan 0.000 0.447 188 N N -0.455 118.113 118.700 -0.221 0.000 2.137 188 N HA -0.142 4.601 4.740 0.006 0.000 0.190 188 N C 1.757 177.161 175.510 -0.177 0.000 1.017 188 N CA 1.643 54.601 53.050 -0.153 0.000 0.859 188 N CB -0.349 38.049 38.487 -0.149 0.000 1.002 188 N HN 0.247 nan 8.380 nan 0.000 0.428 189 G N -0.912 107.775 108.800 -0.189 0.000 2.920 189 G HA2 0.064 4.027 3.960 0.006 0.000 0.208 189 G HA3 0.064 4.027 3.960 0.006 0.000 0.208 189 G C 1.225 176.068 174.900 -0.095 0.000 1.159 189 G CA 0.065 45.067 45.100 -0.163 0.000 0.784 189 G HN 0.326 nan 8.290 nan 0.000 0.535 190 I N -1.293 119.140 120.570 -0.228 0.000 2.685 190 I HA 0.094 4.267 4.170 0.006 0.000 0.251 190 I C 1.514 177.323 176.117 -0.512 0.000 1.102 190 I CA 0.374 61.436 61.300 -0.396 0.000 1.442 190 I CB 0.166 37.770 38.000 -0.661 0.000 1.194 190 I HN 0.093 nan 8.210 nan 0.000 0.448 191 Y N 1.569 121.754 120.300 -0.191 0.000 2.490 191 Y HA 0.179 4.733 4.550 0.006 0.000 0.281 191 Y C 0.617 176.285 175.900 -0.387 0.000 1.174 191 Y CA 0.111 57.969 58.100 -0.402 0.000 1.295 191 Y CB -0.204 38.050 38.460 -0.344 0.000 1.062 191 Y HN -0.061 nan 8.280 nan 0.000 0.522 192 K N 0.556 120.855 120.400 -0.168 0.000 2.267 192 K HA 0.265 4.588 4.320 0.006 0.000 0.246 192 K C -0.679 175.799 176.600 -0.203 0.000 0.954 192 K CA -1.184 55.005 56.287 -0.162 0.000 0.824 192 K CB 1.194 33.585 32.500 -0.182 0.000 1.167 192 K HN -0.081 nan 8.250 nan 0.000 0.431 193 N N 1.160 119.750 118.700 -0.183 0.000 2.416 193 N HA 0.036 4.780 4.740 0.006 0.000 0.246 193 N C -0.441 174.824 175.510 -0.408 0.000 1.260 193 N CA 0.155 53.056 53.050 -0.247 0.000 0.897 193 N CB 0.315 38.681 38.487 -0.202 0.000 1.110 193 N HN 0.364 nan 8.380 nan 0.000 0.439 194 L N 4.128 125.038 121.223 -0.522 0.000 2.270 194 L HA 0.167 4.511 4.340 0.006 0.000 0.286 194 L C -0.224 176.205 176.870 -0.735 0.000 1.059 194 L CA -0.254 54.065 54.840 -0.868 0.000 0.839 194 L CB -0.389 41.078 42.059 -0.987 0.000 1.221 194 L HN 0.573 nan 8.230 nan 0.000 0.431 195 Y N 1.135 121.298 120.300 -0.228 0.000 2.865 195 Y HA -0.419 4.135 4.550 0.006 0.000 0.468 195 Y C 1.426 177.226 175.900 -0.167 0.000 1.179 195 Y CA 0.946 58.946 58.100 -0.167 0.000 2.593 195 Y CB -1.222 37.146 38.460 -0.154 0.000 1.207 195 Y HN 0.772 nan 8.280 nan 0.000 0.626 196 D N 0.965 121.386 120.400 0.035 0.000 2.469 196 D HA 0.194 4.837 4.640 0.006 0.000 0.213 196 D C -0.070 176.129 176.300 -0.168 0.000 1.135 196 D CA 0.062 54.030 54.000 -0.053 0.000 0.834 196 D CB -0.285 40.535 40.800 0.033 0.000 1.009 196 D HN 0.432 nan 8.370 nan 0.000 0.507 197 L N 1.731 122.829 121.223 -0.208 0.000 2.500 197 L HA 0.281 4.625 4.340 0.006 0.000 0.272 197 L C 0.743 177.411 176.870 -0.337 0.000 1.149 197 L CA -0.528 54.156 54.840 -0.260 0.000 0.897 197 L CB 0.756 42.614 42.059 -0.336 0.000 1.178 197 L HN 0.038 nan 8.230 nan 0.000 0.473 198 A N 3.419 125.947 122.820 -0.487 0.000 2.535 198 A HA -0.006 4.317 4.320 0.006 0.000 0.290 198 A C 0.160 177.550 177.584 -0.322 0.000 1.270 198 A CA -0.345 51.204 52.037 -0.814 0.000 0.937 198 A CB -0.459 17.723 19.000 -1.364 0.000 1.096 198 A HN 0.714 nan 8.150 nan 0.000 0.534 199 D N 1.959 122.252 120.400 -0.177 0.000 2.493 199 D HA 0.155 4.799 4.640 0.006 0.000 0.240 199 D C 0.108 176.486 176.300 0.131 0.000 1.142 199 D CA 0.593 54.613 54.000 0.035 0.000 0.872 199 D CB 0.341 41.211 40.800 0.118 0.000 1.173 199 D HN 0.480 nan 8.370 nan 0.000 0.467 200 L N 3.377 124.594 121.223 -0.010 0.000 2.371 200 L HA 0.189 4.532 4.340 0.006 0.000 0.272 200 L C 0.463 176.943 176.870 -0.651 0.000 1.124 200 L CA -0.503 54.160 54.840 -0.295 0.000 0.816 200 L CB 0.840 42.587 42.059 -0.520 0.000 1.129 200 L HN 0.404 nan 8.230 nan 0.000 0.448 201 N N 1.139 119.406 118.700 -0.722 0.000 2.801 201 N HA 0.109 4.852 4.740 0.006 0.000 0.235 201 N C 0.543 175.751 175.510 -0.504 0.000 1.069 201 N CA -0.272 52.333 53.050 -0.741 0.000 0.946 201 N CB 0.247 38.369 38.487 -0.608 0.000 1.212 201 N HN 0.411 nan 8.380 nan 0.000 0.509 202 H N 0.498 119.339 119.070 -0.380 0.000 2.560 202 H HA -0.039 4.520 4.556 0.005 0.000 0.283 202 H C 1.269 176.542 175.328 -0.093 0.000 1.028 202 H CA 0.711 56.503 56.048 -0.428 0.000 1.221 202 H CB 0.145 29.116 29.762 -1.318 0.000 1.363 202 H HN 0.486 nan 8.280 nan 0.000 0.594 203 N N 0.610 119.346 118.700 0.059 0.000 2.494 203 N HA -0.116 4.627 4.740 0.006 0.000 0.182 203 N C 0.087 175.643 175.510 0.076 0.000 1.076 203 N CA 0.065 53.192 53.050 0.128 0.000 0.908 203 N CB -0.015 38.566 38.487 0.156 0.000 0.967 203 N HN 0.196 nan 8.380 nan 0.000 0.449 204 N N -0.002 118.703 118.700 0.008 0.000 2.488 204 N HA 0.052 4.795 4.740 0.006 0.000 0.274 204 N C 0.226 175.761 175.510 0.041 0.000 1.111 204 N CA 0.133 53.176 53.050 -0.012 0.000 0.974 204 N CB 1.155 39.580 38.487 -0.103 0.000 1.089 204 N HN 0.057 nan 8.380 nan 0.000 0.465 205 S N 1.993 117.723 115.700 0.050 0.000 2.402 205 S HA -0.093 4.380 4.470 0.006 0.000 0.229 205 S C 1.685 176.332 174.600 0.078 0.000 1.021 205 S CA 1.076 59.323 58.200 0.078 0.000 0.974 205 S CB -0.051 63.187 63.200 0.064 0.000 0.800 205 S HN 0.664 nan 8.310 nan 0.000 0.484 206 T N 1.843 116.418 114.554 0.036 0.000 2.867 206 T HA 0.016 4.369 4.350 0.006 0.000 0.268 206 T C 1.824 176.563 174.700 0.065 0.000 1.057 206 T CA 0.870 62.987 62.100 0.029 0.000 1.136 206 T CB -0.173 68.678 68.868 -0.028 0.000 0.874 206 T HN 0.190 nan 8.240 nan 0.000 0.466 207 V N 1.210 121.143 119.914 0.031 0.000 2.535 207 V HA -0.054 4.069 4.120 0.006 0.000 0.246 207 V C 2.231 178.437 176.094 0.187 0.000 1.045 207 V CA 1.593 63.924 62.300 0.050 0.000 1.058 207 V CB -0.248 31.479 31.823 -0.160 0.000 0.689 207 V HN 0.481 nan 8.190 nan 0.000 0.461 208 D N 0.169 120.707 120.400 0.231 0.000 2.097 208 D HA -0.156 4.487 4.640 0.006 0.000 0.197 208 D C 2.004 178.502 176.300 0.331 0.000 0.984 208 D CA 1.659 55.911 54.000 0.419 0.000 0.826 208 D CB 0.007 41.055 40.800 0.414 0.000 0.973 208 D HN 0.183 nan 8.370 nan 0.000 0.460 209 V N 0.044 120.096 119.914 0.230 0.000 2.261 209 V HA -0.225 3.898 4.120 0.006 0.000 0.246 209 V C 2.198 178.412 176.094 0.200 0.000 1.047 209 V CA 1.894 64.300 62.300 0.177 0.000 1.015 209 V CB -1.043 30.863 31.823 0.137 0.000 0.642 209 V HN 0.335 nan 8.190 nan 0.000 0.446 210 Y N 0.734 121.099 120.300 0.108 0.000 2.114 210 Y HA -0.259 4.295 4.550 0.005 0.000 0.282 210 Y C 2.192 178.188 175.900 0.160 0.000 1.165 210 Y CA 1.741 59.908 58.100 0.111 0.000 1.148 210 Y CB -0.491 38.019 38.460 0.083 0.000 0.972 210 Y HN 0.145 nan 8.280 nan 0.000 0.504 211 L N -0.068 121.130 121.223 -0.042 0.000 2.083 211 L HA -0.208 4.135 4.340 0.006 0.000 0.209 211 L C 2.375 179.383 176.870 0.229 0.000 1.083 211 L CA 1.714 56.543 54.840 -0.019 0.000 0.752 211 L CB -0.426 41.763 42.059 0.216 0.000 0.899 211 L HN 0.088 nan 8.230 nan 0.000 0.433 212 K N -0.554 119.983 120.400 0.229 0.000 2.365 212 K HA -0.126 4.198 4.320 0.006 0.000 0.199 212 K C 1.291 177.881 176.600 -0.017 0.000 1.045 212 K CA 0.760 57.112 56.287 0.109 0.000 0.962 212 K CB 0.088 32.615 32.500 0.046 0.000 0.759 212 K HN 0.176 nan 8.250 nan 0.000 0.469 213 D N -0.674 119.721 120.400 -0.007 0.000 2.301 213 D HA 0.079 4.723 4.640 0.006 0.000 0.206 213 D C 1.567 177.838 176.300 -0.049 0.000 0.979 213 D CA 0.617 54.592 54.000 -0.041 0.000 0.874 213 D CB 0.203 41.013 40.800 0.016 0.000 0.968 213 D HN 0.137 nan 8.370 nan 0.000 0.510 214 A N 0.623 123.414 122.820 -0.049 0.000 1.898 214 A HA -0.098 4.225 4.320 0.006 0.000 0.216 214 A C 2.107 179.779 177.584 0.147 0.000 1.181 214 A CA 0.734 52.807 52.037 0.059 0.000 0.620 214 A CB -0.530 18.558 19.000 0.147 0.000 0.819 214 A HN 0.198 nan 8.150 nan 0.000 0.442 215 I N -0.606 120.005 120.570 0.067 0.000 2.394 215 I HA -0.130 4.044 4.170 0.006 0.000 0.251 215 I C 2.050 178.174 176.117 0.011 0.000 1.136 215 I CA 1.565 62.819 61.300 -0.076 0.000 1.425 215 I CB -0.235 37.626 38.000 -0.231 0.000 1.079 215 I HN 0.183 nan 8.210 nan 0.000 0.425 216 K N -0.290 120.088 120.400 -0.038 0.000 2.057 216 K HA -0.142 4.181 4.320 0.006 0.000 0.206 216 K C 2.163 178.774 176.600 0.018 0.000 1.050 216 K CA 1.417 57.695 56.287 -0.015 0.000 0.935 216 K CB -0.352 32.027 32.500 -0.202 0.000 0.715 216 K HN 0.255 nan 8.250 nan 0.000 0.439 217 M N -0.831 118.711 119.600 -0.097 0.000 2.108 217 M HA -0.215 4.268 4.480 0.006 0.000 0.261 217 M C 1.277 177.437 176.300 -0.233 0.000 1.066 217 M CA 1.851 57.020 55.300 -0.219 0.000 1.107 217 M CB -0.363 32.003 32.600 -0.390 0.000 1.356 217 M HN 0.263 nan 8.290 nan 0.000 0.406 218 W N 0.347 121.655 121.300 0.013 0.000 2.418 218 W HA -0.085 4.578 4.660 0.005 0.000 0.292 218 W C 2.214 178.771 176.519 0.064 0.000 1.213 218 W CA 0.230 57.582 57.345 0.011 0.000 1.283 218 W CB -0.509 28.910 29.460 -0.069 0.000 1.119 218 W HN 0.157 nan 8.180 nan 0.000 0.542 219 L N 0.208 121.579 121.223 0.246 0.000 1.970 219 L HA -0.269 4.074 4.340 0.006 0.000 0.212 219 L C 1.935 178.912 176.870 0.179 0.000 1.071 219 L CA 1.460 56.422 54.840 0.203 0.000 0.751 219 L CB -0.862 41.336 42.059 0.233 0.000 0.889 219 L HN -0.079 nan 8.230 nan 0.000 0.432 220 D N -0.253 120.250 120.400 0.171 0.000 2.351 220 D HA -0.122 4.522 4.640 0.006 0.000 0.216 220 D C 2.247 178.617 176.300 0.116 0.000 0.968 220 D CA 0.748 54.824 54.000 0.128 0.000 0.899 220 D CB 0.072 40.943 40.800 0.118 0.000 0.907 220 D HN 0.324 nan 8.370 nan 0.000 0.514 221 L N -1.025 120.298 121.223 0.167 0.000 2.095 221 L HA 0.043 4.387 4.340 0.006 0.000 0.204 221 L C 1.894 178.872 176.870 0.181 0.000 1.080 221 L CA 1.318 56.289 54.840 0.218 0.000 0.759 221 L CB 0.067 42.364 42.059 0.396 0.000 0.914 221 L HN 0.230 nan 8.230 nan 0.000 0.439 222 G N -0.408 108.506 108.800 0.191 0.000 3.246 222 G HA2 -0.121 3.842 3.960 0.006 0.000 0.218 222 G HA3 -0.121 3.842 3.960 0.006 0.000 0.218 222 G C 0.403 175.401 174.900 0.162 0.000 0.978 222 G CA -0.045 45.126 45.100 0.118 0.000 0.825 222 G HN 0.262 nan 8.290 nan 0.000 0.546 223 I N 0.239 120.948 120.570 0.232 0.000 2.919 223 I HA 0.360 4.533 4.170 0.006 0.000 0.303 223 I C 0.309 176.571 176.117 0.241 0.000 1.221 223 I CA 0.844 62.291 61.300 0.246 0.000 1.444 223 I CB 0.616 38.779 38.000 0.272 0.000 1.331 223 I HN 0.010 nan 8.210 nan 0.000 0.572 224 D N 4.150 124.722 120.400 0.288 0.000 2.369 224 D HA 0.420 5.064 4.640 0.006 0.000 0.211 224 D C 0.438 176.979 176.300 0.401 0.000 1.077 224 D CA 0.292 54.492 54.000 0.332 0.000 0.842 224 D CB 0.922 41.930 40.800 0.347 0.000 0.947 224 D HN 0.944 nan 8.370 nan 0.000 0.509 225 G N -0.278 108.696 108.800 0.291 0.000 2.411 225 G HA2 0.504 4.468 3.960 0.006 0.000 0.295 225 G HA3 0.504 4.468 3.960 0.006 0.000 0.295 225 G C -1.736 173.241 174.900 0.127 0.000 1.542 225 G CA -0.855 44.369 45.100 0.207 0.000 0.814 225 G HN 0.019 nan 8.290 nan 0.000 0.557 226 I N 0.068 120.665 120.570 0.046 0.000 2.846 226 I HA 0.684 4.858 4.170 0.006 0.000 0.307 226 I C -0.092 175.818 176.117 -0.346 0.000 1.053 226 I CA -1.091 60.174 61.300 -0.058 0.000 1.050 226 I CB 2.427 40.429 38.000 0.004 0.000 1.239 226 I HN 0.304 nan 8.210 nan 0.000 0.439 227 R N 5.341 125.563 120.500 -0.463 0.000 2.443 227 R HA 0.405 4.748 4.340 0.006 0.000 0.287 227 R C -1.204 174.836 176.300 -0.432 0.000 1.425 227 R CA -0.819 54.734 56.100 -0.912 0.000 1.300 227 R CB 0.620 30.196 30.300 -1.206 0.000 1.129 227 R HN 0.567 nan 8.270 nan 0.000 0.577 228 M N 1.705 121.117 119.600 -0.314 0.000 2.252 228 M HA 0.015 4.498 4.480 0.006 0.000 0.348 228 M C 0.151 176.379 176.300 -0.120 0.000 1.334 228 M CA 0.370 55.603 55.300 -0.112 0.000 1.071 228 M CB 0.190 32.778 32.600 -0.019 0.000 1.763 228 M HN 0.280 nan 8.290 nan 0.000 0.452 229 D N 2.422 122.763 120.400 -0.098 0.000 2.193 229 D HA 0.533 5.176 4.640 0.006 0.000 0.244 229 D C 0.013 176.297 176.300 -0.027 0.000 1.064 229 D CA 0.269 54.210 54.000 -0.098 0.000 0.845 229 D CB 0.845 41.512 40.800 -0.222 0.000 1.148 229 D HN 0.779 nan 8.370 nan 0.000 0.464 230 A N 2.787 125.619 122.820 0.021 0.000 2.800 230 A HA -0.164 4.160 4.320 0.006 0.000 0.292 230 A C 1.407 178.967 177.584 -0.041 0.000 1.474 230 A CA 0.881 52.954 52.037 0.060 0.000 0.744 230 A CB -2.362 16.716 19.000 0.131 0.000 1.044 230 A HN 1.023 nan 8.150 nan 0.000 0.489 231 V N -2.223 117.640 119.914 -0.084 0.000 3.026 231 V HA -0.139 3.984 4.120 0.006 0.000 0.265 231 V C 1.986 177.792 176.094 -0.481 0.000 1.121 231 V CA 2.237 64.432 62.300 -0.175 0.000 1.142 231 V CB -0.560 31.238 31.823 -0.041 0.000 0.730 231 V HN 0.627 nan 8.190 nan 0.000 0.503 232 K N -0.172 119.883 120.400 -0.574 0.000 2.262 232 K HA -0.018 4.305 4.320 0.006 0.000 0.200 232 K C 1.332 177.521 176.600 -0.686 0.000 1.049 232 K CA 0.737 56.436 56.287 -0.981 0.000 0.979 232 K CB -0.063 31.496 32.500 -1.569 0.000 0.773 232 K HN 0.642 nan 8.250 nan 0.000 0.474 233 H N -0.466 118.445 119.070 -0.265 0.000 2.568 233 H HA 0.254 4.814 4.556 0.006 0.000 0.302 233 H C -0.095 175.130 175.328 -0.171 0.000 1.065 233 H CA 0.079 55.998 56.048 -0.214 0.000 1.140 233 H CB 0.102 29.742 29.762 -0.203 0.000 1.474 233 H HN 0.071 nan 8.280 nan 0.000 0.545 234 M N 1.127 120.693 119.600 -0.058 0.000 2.446 234 M HA 0.304 4.788 4.480 0.006 0.000 0.294 234 M C -2.648 173.711 176.300 0.099 0.000 1.158 234 M CA -1.922 53.345 55.300 -0.055 0.000 0.899 234 M CB 3.160 35.712 32.600 -0.080 0.000 1.687 234 M HN -0.186 nan 8.290 nan 0.000 0.455 235 P HA -0.013 nan 4.420 nan 0.000 0.261 235 P C 0.141 177.720 177.300 0.465 0.000 1.203 235 P CA 0.092 63.302 63.100 0.182 0.000 0.767 235 P CB -0.049 31.758 31.700 0.179 0.000 0.785 236 F N 2.904 122.965 119.950 0.186 0.000 2.115 236 F HA -0.168 4.362 4.527 0.006 0.000 0.300 236 F C 2.509 178.448 175.800 0.231 0.000 1.092 236 F CA 1.735 59.938 58.000 0.339 0.000 1.245 236 F CB -2.206 37.028 39.000 0.390 0.000 0.995 236 F HN 0.343 nan 8.300 nan 0.000 0.481 237 G N -1.247 107.727 108.800 0.289 0.000 2.446 237 G HA2 -0.342 3.621 3.960 0.006 0.000 0.217 237 G HA3 -0.342 3.621 3.960 0.006 0.000 0.217 237 G C 1.629 176.674 174.900 0.241 0.000 1.168 237 G CA 0.736 45.944 45.100 0.181 0.000 0.771 237 G HN 0.528 nan 8.290 nan 0.000 0.551 238 W N 1.198 122.562 121.300 0.107 0.000 2.388 238 W HA -0.040 4.623 4.660 0.005 0.000 0.294 238 W C 2.786 179.364 176.519 0.098 0.000 1.212 238 W CA 1.445 58.842 57.345 0.087 0.000 1.271 238 W CB 0.064 29.542 29.460 0.031 0.000 1.126 238 W HN 0.284 nan 8.180 nan 0.000 0.535 239 Q N 0.265 120.253 119.800 0.313 0.000 2.124 239 Q HA -0.246 4.098 4.340 0.006 0.000 0.202 239 Q C 2.292 178.286 176.000 -0.011 0.000 0.977 239 Q CA 1.623 57.504 55.803 0.129 0.000 0.850 239 Q CB -0.400 28.552 28.738 0.357 0.000 0.901 239 Q HN 0.237 nan 8.270 nan 0.000 0.429 240 K N 0.427 120.833 120.400 0.010 0.000 2.148 240 K HA -0.126 4.197 4.320 0.006 0.000 0.204 240 K C 2.135 178.683 176.600 -0.087 0.000 1.050 240 K CA 1.523 57.785 56.287 -0.042 0.000 0.942 240 K CB 0.021 32.517 32.500 -0.006 0.000 0.724 240 K HN 0.223 nan 8.250 nan 0.000 0.446 241 S N -0.258 115.362 115.700 -0.134 0.000 2.453 241 S HA -0.103 4.370 4.470 0.006 0.000 0.231 241 S C 1.777 176.219 174.600 -0.262 0.000 1.005 241 S CA 0.287 58.382 58.200 -0.175 0.000 0.949 241 S CB -0.407 62.701 63.200 -0.154 0.000 0.774 241 S HN 0.356 nan 8.310 nan 0.000 0.510 242 F N 2.109 121.726 119.950 -0.554 0.000 2.149 242 F HA 0.167 4.697 4.527 0.005 0.000 0.294 242 F C 2.271 177.910 175.800 -0.268 0.000 1.095 242 F CA 1.133 58.806 58.000 -0.544 0.000 1.276 242 F CB -0.272 38.248 39.000 -0.799 0.000 1.023 242 F HN 0.068 nan 8.300 nan 0.000 0.480 243 M N 0.688 120.225 119.600 -0.104 0.000 2.117 243 M HA -0.128 4.356 4.480 0.006 0.000 0.262 243 M C 2.535 178.732 176.300 -0.171 0.000 1.065 243 M CA 1.602 56.825 55.300 -0.128 0.000 1.114 243 M CB -2.024 30.538 32.600 -0.063 0.000 1.361 243 M HN 0.323 nan 8.290 nan 0.000 0.408 244 A N 0.088 122.817 122.820 -0.152 0.000 1.908 244 A HA -0.071 4.252 4.320 0.006 0.000 0.218 244 A C 2.423 179.924 177.584 -0.137 0.000 1.181 244 A CA 2.326 54.290 52.037 -0.123 0.000 0.627 244 A CB -0.960 17.981 19.000 -0.098 0.000 0.818 244 A HN 0.492 nan 8.150 nan 0.000 0.445 245 A N -0.926 121.766 122.820 -0.212 0.000 1.933 245 A HA 0.046 4.369 4.320 0.006 0.000 0.218 245 A C 2.252 179.716 177.584 -0.201 0.000 1.175 245 A CA 1.751 53.653 52.037 -0.224 0.000 0.628 245 A CB -0.757 18.058 19.000 -0.309 0.000 0.814 245 A HN 0.367 nan 8.150 nan 0.000 0.444 246 V N 0.607 120.349 119.914 -0.287 0.000 2.323 246 V HA -0.196 3.927 4.120 0.006 0.000 0.244 246 V C 2.319 178.387 176.094 -0.043 0.000 1.041 246 V CA 1.990 64.185 62.300 -0.175 0.000 1.025 246 V CB -0.882 30.778 31.823 -0.271 0.000 0.656 246 V HN 0.535 nan 8.190 nan 0.000 0.451 247 N N 1.087 119.746 118.700 -0.069 0.000 2.013 247 N HA -0.162 4.581 4.740 0.006 0.000 0.195 247 N C 1.616 177.128 175.510 0.002 0.000 1.051 247 N CA 1.628 54.662 53.050 -0.027 0.000 0.851 247 N CB -0.829 37.632 38.487 -0.043 0.000 1.044 247 N HN 0.385 nan 8.380 nan 0.000 0.422 248 N N -0.067 118.633 118.700 0.000 0.000 2.417 248 N HA -0.179 4.565 4.740 0.006 0.000 0.187 248 N C 1.283 176.845 175.510 0.087 0.000 1.027 248 N CA 0.689 53.755 53.050 0.026 0.000 0.891 248 N CB -0.133 38.359 38.487 0.009 0.000 0.956 248 N HN 0.412 nan 8.380 nan 0.000 0.442 249 Y N 0.570 120.836 120.300 -0.057 0.000 2.581 249 Y HA 0.258 4.811 4.550 0.006 0.000 0.221 249 Y C 0.163 176.047 175.900 -0.028 0.000 1.013 249 Y CA 0.704 58.776 58.100 -0.047 0.000 1.293 249 Y CB 0.253 38.672 38.460 -0.068 0.000 1.082 249 Y HN -0.314 nan 8.280 nan 0.000 0.482 250 K N 2.229 122.420 120.400 -0.348 0.000 2.606 250 K HA 0.319 4.643 4.320 0.006 0.000 0.196 250 K C -2.787 173.755 176.600 -0.098 0.000 1.048 250 K CA -2.149 53.916 56.287 -0.371 0.000 1.017 250 K CB 0.998 33.178 32.500 -0.533 0.000 1.413 250 K HN 0.154 nan 8.250 nan 0.000 0.568 251 P HA -0.107 nan 4.420 nan 0.000 0.264 251 P C -0.640 176.693 177.300 0.055 0.000 1.179 251 P CA -0.076 63.032 63.100 0.014 0.000 0.763 251 P CB 0.590 32.311 31.700 0.036 0.000 0.806 252 V N 0.134 120.100 119.914 0.087 0.000 3.000 252 V HA 0.437 4.560 4.120 0.006 0.000 0.300 252 V C -0.665 175.538 176.094 0.183 0.000 1.251 252 V CA -1.310 61.086 62.300 0.159 0.000 0.972 252 V CB 1.399 33.310 31.823 0.147 0.000 1.065 252 V HN 0.344 nan 8.190 nan 0.000 0.431 253 F N 3.095 123.114 119.950 0.114 0.000 2.580 253 F HA 0.470 5.000 4.527 0.006 0.000 0.398 253 F C 0.549 176.361 175.800 0.019 0.000 1.023 253 F CA 1.349 59.377 58.000 0.047 0.000 1.188 253 F CB 0.232 39.202 39.000 -0.050 0.000 1.005 253 F HN 0.789 nan 8.300 nan 0.000 0.546 254 T N 8.507 122.754 114.554 -0.511 0.000 2.841 254 T HA 0.537 4.890 4.350 0.006 0.000 0.285 254 T C -1.011 173.475 174.700 -0.356 0.000 0.991 254 T CA -0.342 61.573 62.100 -0.308 0.000 0.966 254 T CB 0.790 69.588 68.868 -0.117 0.000 0.962 254 T HN 0.412 nan 8.240 nan 0.000 0.438 255 F N 0.118 119.774 119.950 -0.490 0.000 2.577 255 F HA 0.973 5.503 4.527 0.006 0.000 0.318 255 F C 0.007 175.720 175.800 -0.145 0.000 1.065 255 F CA -1.800 56.003 58.000 -0.328 0.000 0.929 255 F CB 1.034 39.845 39.000 -0.315 0.000 1.237 255 F HN 0.708 nan 8.300 nan 0.000 0.468 256 G N 0.214 109.017 108.800 0.006 0.000 2.630 256 G HA2 0.512 4.475 3.960 0.006 0.000 0.296 256 G HA3 0.512 4.475 3.960 0.006 0.000 0.296 256 G C -1.950 173.042 174.900 0.154 0.000 1.285 256 G CA -0.995 44.113 45.100 0.014 0.000 0.958 256 G HN 0.925 nan 8.290 nan 0.000 0.479 257 E N 0.219 120.513 120.200 0.157 0.000 2.035 257 E HA 0.277 4.630 4.350 0.006 0.000 0.271 257 E C -1.172 175.619 176.600 0.318 0.000 0.953 257 E CA -0.869 55.719 56.400 0.313 0.000 0.777 257 E CB 0.600 30.463 29.700 0.273 0.000 1.104 257 E HN 0.418 nan 8.360 nan 0.000 0.408 258 W N 8.432 129.860 121.300 0.213 0.000 2.416 258 W HA 0.272 4.935 4.660 0.005 0.000 0.294 258 W C -1.296 175.184 176.519 -0.065 0.000 0.966 258 W CA -1.879 55.501 57.345 0.059 0.000 1.686 258 W CB -0.050 29.428 29.460 0.029 0.000 1.612 258 W HN 0.514 nan 8.180 nan 0.000 0.420 259 F N 4.625 124.414 119.950 -0.268 0.000 2.637 259 F HA 0.097 4.628 4.527 0.006 0.000 0.372 259 F C -0.527 175.040 175.800 -0.388 0.000 1.107 259 F CA 1.246 58.697 58.000 -0.915 0.000 1.325 259 F CB 0.602 39.253 39.000 -0.581 0.000 1.016 259 F HN 0.169 nan 8.300 nan 0.000 0.593 260 L N 5.565 126.065 121.223 -1.205 0.000 2.470 260 L HA 0.445 4.788 4.340 0.006 0.000 0.268 260 L C 0.270 176.836 176.870 -0.506 0.000 0.964 260 L CA -0.769 53.853 54.840 -0.363 0.000 0.839 260 L CB 1.712 43.779 42.059 0.012 0.000 1.276 260 L HN 0.813 nan 8.230 nan 0.000 0.403 261 G N 1.678 110.472 108.800 -0.011 0.000 2.580 261 G HA2 0.457 4.420 3.960 0.006 0.000 0.278 261 G HA3 0.457 4.420 3.960 0.006 0.000 0.278 261 G C -0.070 174.867 174.900 0.060 0.000 1.212 261 G CA -0.541 44.628 45.100 0.116 0.000 0.939 261 G HN 0.280 nan 8.290 nan 0.000 0.513 262 V N 1.904 121.863 119.914 0.075 0.000 2.720 262 V HA -0.069 4.055 4.120 0.006 0.000 0.307 262 V C 1.003 177.125 176.094 0.048 0.000 1.071 262 V CA 0.536 62.866 62.300 0.050 0.000 1.199 262 V CB 0.549 32.398 31.823 0.044 0.000 0.900 262 V HN 0.946 nan 8.190 nan 0.000 0.494 263 N N 1.514 120.237 118.700 0.038 0.000 2.708 263 N HA -0.204 4.539 4.740 0.006 0.000 0.251 263 N C 0.288 175.829 175.510 0.052 0.000 1.123 263 N CA 1.513 54.587 53.050 0.039 0.000 0.739 263 N CB -0.566 37.940 38.487 0.031 0.000 1.113 263 N HN 1.012 nan 8.380 nan 0.000 0.561 264 E N 0.569 120.807 120.200 0.064 0.000 2.167 264 E HA 0.453 4.807 4.350 0.006 0.000 0.284 264 E C -0.932 175.716 176.600 0.080 0.000 1.016 264 E CA -0.500 55.945 56.400 0.075 0.000 0.817 264 E CB 1.041 30.797 29.700 0.093 0.000 1.080 264 E HN 0.013 nan 8.360 nan 0.000 0.397 265 V N 4.631 124.581 119.914 0.060 0.000 2.409 265 V HA 0.280 4.403 4.120 0.006 0.000 0.290 265 V C -0.669 175.391 176.094 -0.056 0.000 1.017 265 V CA -0.652 61.671 62.300 0.038 0.000 0.841 265 V CB 1.618 33.480 31.823 0.065 0.000 1.003 265 V HN 0.712 nan 8.190 nan 0.000 0.426 266 S N 7.320 122.923 115.700 -0.162 0.000 2.438 266 S HA 0.506 4.979 4.470 0.006 0.000 0.316 266 S C -1.533 172.722 174.600 -0.576 0.000 1.084 266 S CA -1.545 56.522 58.200 -0.223 0.000 1.107 266 S CB 1.780 64.945 63.200 -0.057 0.000 0.981 266 S HN 0.522 nan 8.310 nan 0.000 0.466 267 P HA -0.069 nan 4.420 nan 0.000 0.223 267 P C 0.761 177.886 177.300 -0.291 0.000 1.144 267 P CA 1.018 63.846 63.100 -0.453 0.000 0.783 267 P CB 0.136 31.752 31.700 -0.141 0.000 0.771 268 E N -0.502 119.589 120.200 -0.183 0.000 2.112 268 E HA -0.140 4.214 4.350 0.006 0.000 0.190 268 E C 1.941 178.350 176.600 -0.319 0.000 0.979 268 E CA 0.752 57.140 56.400 -0.019 0.000 0.814 268 E CB -0.537 29.320 29.700 0.261 0.000 0.762 268 E HN 0.347 nan 8.360 nan 0.000 0.460 269 N N 0.437 118.692 118.700 -0.742 0.000 2.166 269 N HA -0.179 4.565 4.740 0.006 0.000 0.186 269 N C 1.714 177.056 175.510 -0.279 0.000 1.019 269 N CA 1.094 53.508 53.050 -1.060 0.000 0.856 269 N CB 0.034 37.937 38.487 -0.974 0.000 0.993 269 N HN 0.265 nan 8.380 nan 0.000 0.426 270 H N -0.414 118.487 119.070 -0.282 0.000 2.321 270 H HA -0.073 4.487 4.556 0.006 0.000 0.300 270 H C 1.980 177.260 175.328 -0.080 0.000 1.087 270 H CA 0.980 56.869 56.048 -0.265 0.000 1.319 270 H CB 0.038 29.591 29.762 -0.347 0.000 1.379 270 H HN 0.181 nan 8.280 nan 0.000 0.501 271 K N 0.558 121.017 120.400 0.098 0.000 2.097 271 K HA -0.163 4.160 4.320 0.006 0.000 0.206 271 K C 1.947 178.636 176.600 0.147 0.000 1.049 271 K CA 1.046 57.410 56.287 0.130 0.000 0.933 271 K CB -0.072 32.533 32.500 0.175 0.000 0.717 271 K HN 0.127 nan 8.250 nan 0.000 0.442 272 F N 1.047 120.980 119.950 -0.028 0.000 2.084 272 F HA -0.120 4.411 4.527 0.005 0.000 0.296 272 F C 2.053 177.835 175.800 -0.031 0.000 1.111 272 F CA 1.481 59.425 58.000 -0.094 0.000 1.224 272 F CB -0.504 38.322 39.000 -0.291 0.000 0.991 272 F HN 0.049 nan 8.300 nan 0.000 0.471 273 A N 0.623 123.519 122.820 0.126 0.000 1.865 273 A HA -0.252 4.072 4.320 0.006 0.000 0.217 273 A C 2.017 179.611 177.584 0.018 0.000 1.191 273 A CA 2.160 54.260 52.037 0.103 0.000 0.623 273 A CB -1.107 18.088 19.000 0.326 0.000 0.826 273 A HN 0.519 nan 8.150 nan 0.000 0.444 274 N N 0.223 118.959 118.700 0.060 0.000 2.043 274 N HA -0.144 4.599 4.740 0.006 0.000 0.193 274 N C 1.536 177.029 175.510 -0.029 0.000 1.037 274 N CA 1.958 55.025 53.050 0.029 0.000 0.851 274 N CB -0.384 38.127 38.487 0.041 0.000 1.027 274 N HN 0.771 nan 8.380 nan 0.000 0.422 275 E N -0.416 119.753 120.200 -0.052 0.000 2.431 275 E HA 0.090 4.443 4.350 0.006 0.000 0.200 275 E C 1.714 178.221 176.600 -0.155 0.000 0.995 275 E CA 0.378 56.736 56.400 -0.069 0.000 0.915 275 E CB 0.066 29.766 29.700 0.001 0.000 0.930 275 E HN 0.314 nan 8.360 nan 0.000 0.496 276 S N 0.873 116.371 115.700 -0.338 0.000 2.370 276 S HA -0.098 4.376 4.470 0.006 0.000 0.226 276 S C 1.877 176.294 174.600 -0.305 0.000 1.033 276 S CA 1.301 59.195 58.200 -0.509 0.000 1.011 276 S CB -0.400 62.006 63.200 -1.323 0.000 0.852 276 S HN 0.451 nan 8.310 nan 0.000 0.457 277 G N 0.958 109.609 108.800 -0.249 0.000 2.175 277 G HA2 -0.107 3.856 3.960 0.006 0.000 0.182 277 G HA3 -0.107 3.856 3.960 0.006 0.000 0.182 277 G C -0.174 174.635 174.900 -0.151 0.000 1.003 277 G CA 0.023 45.024 45.100 -0.164 0.000 0.666 277 G HN 1.110 nan 8.290 nan 0.000 0.506 278 M N -0.065 119.415 119.600 -0.200 0.000 2.531 278 M HA 0.791 5.275 4.480 0.006 0.000 0.286 278 M C 0.108 176.331 176.300 -0.129 0.000 1.232 278 M CA -0.266 54.932 55.300 -0.171 0.000 0.877 278 M CB 1.855 34.375 32.600 -0.132 0.000 1.726 278 M HN 0.471 nan 8.290 nan 0.000 0.463 279 S N 2.040 117.672 115.700 -0.113 0.000 2.671 279 S HA 0.855 5.328 4.470 0.006 0.000 0.272 279 S C -0.219 174.447 174.600 0.110 0.000 1.174 279 S CA -0.805 57.388 58.200 -0.012 0.000 1.004 279 S CB 0.868 64.049 63.200 -0.032 0.000 1.077 279 S HN 0.728 nan 8.310 nan 0.000 0.553 280 L N -0.769 120.546 121.223 0.154 0.000 2.301 280 L HA 0.529 4.872 4.340 0.006 0.000 0.249 280 L C -0.707 176.331 176.870 0.280 0.000 1.069 280 L CA -1.149 53.850 54.840 0.265 0.000 0.865 280 L CB 1.017 43.267 42.059 0.319 0.000 1.467 280 L HN 0.496 nan 8.230 nan 0.000 0.419 281 L N 0.688 122.148 121.223 0.395 0.000 2.417 281 L HA 0.163 4.507 4.340 0.006 0.000 0.268 281 L C -0.352 176.720 176.870 0.337 0.000 1.158 281 L CA -0.064 55.037 54.840 0.436 0.000 0.819 281 L CB 0.585 42.935 42.059 0.485 0.000 1.112 281 L HN 0.533 nan 8.230 nan 0.000 0.458 282 D N 1.741 122.234 120.400 0.155 0.000 2.639 282 D HA 0.132 4.775 4.640 0.006 0.000 0.233 282 D C 0.781 176.945 176.300 -0.225 0.000 1.161 282 D CA -0.067 53.900 54.000 -0.054 0.000 1.003 282 D CB 0.123 40.824 40.800 -0.165 0.000 1.034 282 D HN 0.244 nan 8.370 nan 0.000 0.514 283 F N 0.656 120.628 119.950 0.035 0.000 2.293 283 F HA -0.004 4.526 4.527 0.006 0.000 0.300 283 F C 2.484 178.255 175.800 -0.048 0.000 1.086 283 F CA 0.525 58.510 58.000 -0.025 0.000 1.375 283 F CB 0.036 39.027 39.000 -0.015 0.000 1.045 283 F HN 0.252 nan 8.300 nan 0.000 0.516 284 R N -0.158 120.465 120.500 0.205 0.000 2.075 284 R HA -0.208 4.135 4.340 0.006 0.000 0.232 284 R C 2.246 178.609 176.300 0.106 0.000 1.126 284 R CA 1.668 57.874 56.100 0.175 0.000 0.963 284 R CB -0.710 29.752 30.300 0.271 0.000 0.858 284 R HN 0.311 nan 8.270 nan 0.000 0.435 285 F N 0.953 120.859 119.950 -0.074 0.000 2.128 285 F HA 0.044 4.574 4.527 0.006 0.000 0.295 285 F C 2.153 177.854 175.800 -0.165 0.000 1.100 285 F CA 1.455 59.394 58.000 -0.102 0.000 1.260 285 F CB -0.379 38.533 39.000 -0.146 0.000 1.009 285 F HN 0.130 nan 8.300 nan 0.000 0.476 286 A N 0.139 122.843 122.820 -0.194 0.000 1.877 286 A HA -0.188 4.135 4.320 0.006 0.000 0.216 286 A C 2.130 179.632 177.584 -0.137 0.000 1.186 286 A CA 1.572 53.421 52.037 -0.314 0.000 0.620 286 A CB -0.798 17.701 19.000 -0.836 0.000 0.822 286 A HN 0.492 nan 8.150 nan 0.000 0.443 287 Q N -0.459 119.300 119.800 -0.067 0.000 2.124 287 Q HA -0.184 4.160 4.340 0.006 0.000 0.202 287 Q C 2.022 177.991 176.000 -0.051 0.000 0.977 287 Q CA 1.898 57.696 55.803 -0.010 0.000 0.850 287 Q CB -0.328 28.428 28.738 0.029 0.000 0.901 287 Q HN 0.598 nan 8.270 nan 0.000 0.429 288 K N 0.329 120.666 120.400 -0.106 0.000 2.076 288 K HA -0.023 4.300 4.320 0.006 0.000 0.204 288 K C 2.025 178.511 176.600 -0.191 0.000 1.051 288 K CA 0.497 56.702 56.287 -0.138 0.000 0.949 288 K CB -0.268 32.147 32.500 -0.142 0.000 0.726 288 K HN -0.039 nan 8.250 nan 0.000 0.443 289 V N 1.283 121.027 119.914 -0.283 0.000 2.380 289 V HA -0.298 3.826 4.120 0.006 0.000 0.251 289 V C 2.182 178.336 176.094 0.100 0.000 1.063 289 V CA 2.079 64.257 62.300 -0.203 0.000 1.055 289 V CB -0.466 31.148 31.823 -0.349 0.000 0.657 289 V HN 0.302 nan 8.190 nan 0.000 0.455 290 R N -0.494 120.037 120.500 0.052 0.000 2.073 290 R HA -0.118 4.226 4.340 0.006 0.000 0.229 290 R C 2.348 178.619 176.300 -0.050 0.000 1.120 290 R CA 1.241 57.356 56.100 0.026 0.000 0.967 290 R CB -0.296 29.988 30.300 -0.026 0.000 0.862 290 R HN 0.562 nan 8.270 nan 0.000 0.436 291 Q N -0.024 119.738 119.800 -0.064 0.000 2.291 291 Q HA -0.054 4.289 4.340 0.006 0.000 0.205 291 Q C 1.784 177.712 176.000 -0.120 0.000 0.970 291 Q CA 0.855 56.610 55.803 -0.081 0.000 0.876 291 Q CB 0.381 29.077 28.738 -0.069 0.000 0.935 291 Q HN 0.158 nan 8.270 nan 0.000 0.455 292 V N -1.172 118.638 119.914 -0.174 0.000 2.949 292 V HA -0.037 4.087 4.120 0.006 0.000 0.245 292 V C 0.869 176.701 176.094 -0.437 0.000 1.086 292 V CA 1.163 63.250 62.300 -0.355 0.000 1.097 292 V CB 0.068 31.561 31.823 -0.551 0.000 0.762 292 V HN 0.257 nan 8.190 nan 0.000 0.470 293 F N -0.637 119.285 119.950 -0.047 0.000 2.727 293 F HA 0.297 4.828 4.527 0.006 0.000 0.302 293 F C 2.163 178.012 175.800 0.081 0.000 1.107 293 F CA 0.369 58.409 58.000 0.067 0.000 1.277 293 F CB 0.215 39.333 39.000 0.196 0.000 1.079 293 F HN -0.059 nan 8.300 nan 0.000 0.594 294 R N -0.026 120.510 120.500 0.061 0.000 2.144 294 R HA 0.087 4.431 4.340 0.006 0.000 0.195 294 R C 0.790 176.998 176.300 -0.154 0.000 1.077 294 R CA 0.883 56.851 56.100 -0.219 0.000 1.120 294 R CB 0.007 29.756 30.300 -0.918 0.000 1.060 294 R HN -0.042 nan 8.270 nan 0.000 0.520 295 D N 0.692 121.011 120.400 -0.135 0.000 2.355 295 D HA 0.058 4.702 4.640 0.006 0.000 0.206 295 D C -0.453 175.809 176.300 -0.062 0.000 1.010 295 D CA 0.222 54.167 54.000 -0.092 0.000 0.875 295 D CB 0.156 40.906 40.800 -0.085 0.000 0.966 295 D HN 0.193 nan 8.370 nan 0.000 0.512 296 N N 0.881 119.541 118.700 -0.067 0.000 2.641 296 N HA -0.126 4.617 4.740 0.006 0.000 0.267 296 N C -0.300 175.177 175.510 -0.054 0.000 1.087 296 N CA 0.827 53.837 53.050 -0.066 0.000 0.731 296 N CB -2.064 36.393 38.487 -0.050 0.000 0.886 296 N HN 0.184 nan 8.380 nan 0.000 0.547 297 T N -3.082 111.438 114.554 -0.056 0.000 3.266 297 T HA 0.362 4.716 4.350 0.006 0.000 0.278 297 T C -0.146 174.531 174.700 -0.039 0.000 1.010 297 T CA -0.379 61.697 62.100 -0.039 0.000 0.909 297 T CB 0.927 69.776 68.868 -0.031 0.000 1.122 297 T HN 0.363 nan 8.240 nan 0.000 0.536 298 D N 1.049 121.416 120.400 -0.054 0.000 2.912 298 D HA 0.206 4.850 4.640 0.006 0.000 0.263 298 D C -1.497 174.758 176.300 -0.075 0.000 1.152 298 D CA -0.533 53.438 54.000 -0.048 0.000 0.728 298 D CB 1.113 41.884 40.800 -0.049 0.000 1.337 298 D HN 0.240 nan 8.370 nan 0.000 0.435 299 N N 0.556 119.231 118.700 -0.041 0.000 2.643 299 N HA 0.313 5.057 4.740 0.006 0.000 0.305 299 N C 1.148 176.582 175.510 -0.126 0.000 1.283 299 N CA -0.565 52.441 53.050 -0.074 0.000 0.946 299 N CB 0.305 38.796 38.487 0.006 0.000 1.149 299 N HN 0.232 nan 8.380 nan 0.000 0.600 300 M N -0.994 118.483 119.600 -0.205 0.000 2.346 300 M HA -0.073 4.410 4.480 0.006 0.000 0.263 300 M C 0.949 177.139 176.300 -0.184 0.000 1.064 300 M CA 1.380 56.538 55.300 -0.237 0.000 1.083 300 M CB -1.182 31.256 32.600 -0.269 0.000 1.399 300 M HN 0.521 nan 8.290 nan 0.000 0.435 301 Y N -0.023 120.249 120.300 -0.046 0.000 2.242 301 Y HA -0.049 4.504 4.550 0.006 0.000 0.291 301 Y C 2.617 178.498 175.900 -0.032 0.000 1.137 301 Y CA 1.447 59.528 58.100 -0.031 0.000 1.181 301 Y CB -1.268 37.173 38.460 -0.033 0.000 0.989 301 Y HN 0.286 nan 8.280 nan 0.000 0.527 302 G N -0.586 108.272 108.800 0.097 0.000 2.422 302 G HA2 -0.201 3.763 3.960 0.006 0.000 0.218 302 G HA3 -0.201 3.763 3.960 0.006 0.000 0.218 302 G C 1.622 176.518 174.900 -0.008 0.000 1.140 302 G CA 0.801 45.921 45.100 0.032 0.000 0.775 302 G HN 0.331 nan 8.290 nan 0.000 0.545 303 L N 0.564 121.756 121.223 -0.051 0.000 2.072 303 L HA 0.186 4.529 4.340 0.006 0.000 0.205 303 L C 2.514 179.393 176.870 0.015 0.000 1.079 303 L CA 2.015 56.810 54.840 -0.075 0.000 0.752 303 L CB -0.465 41.496 42.059 -0.163 0.000 0.906 303 L HN 0.138 nan 8.230 nan 0.000 0.436 304 K N -0.540 119.882 120.400 0.037 0.000 2.025 304 K HA -0.112 4.212 4.320 0.006 0.000 0.207 304 K C 1.973 178.622 176.600 0.081 0.000 1.049 304 K CA 1.241 57.573 56.287 0.074 0.000 0.933 304 K CB -0.178 32.373 32.500 0.085 0.000 0.714 304 K HN 0.420 nan 8.250 nan 0.000 0.438 305 A N 1.977 124.846 122.820 0.081 0.000 1.940 305 A HA -0.200 4.123 4.320 0.006 0.000 0.219 305 A C 2.127 179.751 177.584 0.067 0.000 1.176 305 A CA 1.667 53.747 52.037 0.072 0.000 0.631 305 A CB -0.562 18.477 19.000 0.066 0.000 0.814 305 A HN 0.449 nan 8.150 nan 0.000 0.446 306 M N -0.235 119.402 119.600 0.062 0.000 2.086 306 M HA -0.073 4.411 4.480 0.006 0.000 0.261 306 M C 1.982 178.347 176.300 0.107 0.000 1.067 306 M CA 1.720 57.065 55.300 0.075 0.000 1.116 306 M CB -0.811 31.817 32.600 0.046 0.000 1.348 306 M HN 0.424 nan 8.290 nan 0.000 0.407 307 L N 0.099 121.389 121.223 0.111 0.000 2.079 307 L HA -0.247 4.096 4.340 0.006 0.000 0.210 307 L C 2.212 179.144 176.870 0.104 0.000 1.081 307 L CA 1.703 56.621 54.840 0.130 0.000 0.752 307 L CB -0.502 41.627 42.059 0.115 0.000 0.896 307 L HN 0.407 nan 8.230 nan 0.000 0.433 308 E N -0.662 119.590 120.200 0.086 0.000 2.033 308 E HA -0.107 4.246 4.350 0.006 0.000 0.189 308 E C 2.083 178.719 176.600 0.060 0.000 0.979 308 E CA 0.947 57.390 56.400 0.071 0.000 0.802 308 E CB -0.329 29.409 29.700 0.065 0.000 0.763 308 E HN 0.476 nan 8.360 nan 0.000 0.449 309 G N 1.016 109.850 108.800 0.056 0.000 2.545 309 G HA2 -0.394 3.570 3.960 0.006 0.000 0.217 309 G HA3 -0.394 3.570 3.960 0.006 0.000 0.217 309 G C 1.725 176.635 174.900 0.017 0.000 1.218 309 G CA 1.780 46.900 45.100 0.034 0.000 0.787 309 G HN 0.416 nan 8.290 nan 0.000 0.571 310 S N 1.495 117.241 115.700 0.076 0.000 2.380 310 S HA -0.075 4.398 4.470 0.006 0.000 0.229 310 S C 2.564 177.259 174.600 0.158 0.000 1.043 310 S CA 2.005 60.300 58.200 0.159 0.000 1.038 310 S CB -0.685 62.678 63.200 0.273 0.000 0.872 310 S HN 0.895 nan 8.310 nan 0.000 0.456 311 A N 1.127 124.011 122.820 0.107 0.000 2.070 311 A HA 0.387 4.711 4.320 0.006 0.000 0.220 311 A C 2.297 179.910 177.584 0.049 0.000 1.159 311 A CA 1.660 53.749 52.037 0.087 0.000 0.656 311 A CB -0.970 18.075 19.000 0.076 0.000 0.800 311 A HN 1.052 nan 8.150 nan 0.000 0.453 312 A N -1.277 121.547 122.820 0.007 0.000 2.167 312 A HA 0.196 4.520 4.320 0.006 0.000 0.208 312 A C 1.495 179.022 177.584 -0.095 0.000 1.198 312 A CA 0.855 52.877 52.037 -0.025 0.000 0.863 312 A CB 0.097 19.088 19.000 -0.016 0.000 0.904 312 A HN 0.317 nan 8.150 nan 0.000 0.484 313 D N -0.706 119.568 120.400 -0.210 0.000 2.123 313 D HA 0.009 4.652 4.640 0.006 0.000 0.200 313 D C -0.304 175.685 176.300 -0.518 0.000 0.976 313 D CA 1.052 54.751 54.000 -0.502 0.000 0.831 313 D CB -0.190 39.994 40.800 -1.026 0.000 0.974 313 D HN 0.483 nan 8.370 nan 0.000 0.469 314 Y N 0.169 120.342 120.300 -0.211 0.000 2.350 314 Y HA 0.424 4.977 4.550 0.006 0.000 0.340 314 Y C 1.239 177.098 175.900 -0.067 0.000 1.006 314 Y CA -0.724 57.307 58.100 -0.114 0.000 1.166 314 Y CB 1.436 39.852 38.460 -0.073 0.000 1.168 314 Y HN -0.151 nan 8.280 nan 0.000 0.502 315 A N 2.678 125.547 122.820 0.081 0.000 2.121 315 A HA -0.111 4.212 4.320 0.006 0.000 0.218 315 A C 0.869 178.454 177.584 0.002 0.000 1.154 315 A CA 1.085 53.132 52.037 0.017 0.000 0.679 315 A CB -0.191 18.807 19.000 -0.004 0.000 0.795 315 A HN 0.836 nan 8.150 nan 0.000 0.458 316 Q N -1.592 118.247 119.800 0.065 0.000 2.632 316 Q HA 0.286 4.629 4.340 0.006 0.000 0.352 316 Q C 0.566 176.620 176.000 0.091 0.000 0.821 316 Q CA -0.106 55.735 55.803 0.064 0.000 1.060 316 Q CB 0.734 29.519 28.738 0.078 0.000 1.429 316 Q HN 0.136 nan 8.270 nan 0.000 0.391 317 V N 0.462 120.430 119.914 0.091 0.000 2.439 317 V HA -0.263 3.860 4.120 0.006 0.000 0.253 317 V C 0.793 176.896 176.094 0.015 0.000 1.074 317 V CA 2.123 64.443 62.300 0.034 0.000 1.076 317 V CB 0.149 32.020 31.823 0.080 0.000 0.664 317 V HN 0.593 nan 8.190 nan 0.000 0.461 318 D N -0.118 120.338 120.400 0.093 0.000 2.355 318 D HA -0.000 4.643 4.640 0.006 0.000 0.253 318 D C 0.746 177.160 176.300 0.191 0.000 1.187 318 D CA 0.512 54.593 54.000 0.134 0.000 0.900 318 D CB 0.189 41.132 40.800 0.239 0.000 0.915 318 D HN 0.550 nan 8.370 nan 0.000 0.516 319 D N -0.679 119.809 120.400 0.147 0.000 2.486 319 D HA -0.005 4.638 4.640 0.006 0.000 0.243 319 D C 0.352 176.730 176.300 0.130 0.000 1.146 319 D CA -0.020 54.126 54.000 0.244 0.000 0.821 319 D CB 0.747 41.713 40.800 0.277 0.000 1.201 319 D HN 0.012 nan 8.370 nan 0.000 0.525 320 Q N 0.762 120.542 119.800 -0.034 0.000 2.352 320 Q HA 0.189 4.532 4.340 0.006 0.000 0.260 320 Q C 0.029 175.971 176.000 -0.095 0.000 0.976 320 Q CA -0.027 55.706 55.803 -0.117 0.000 0.881 320 Q CB 1.624 30.170 28.738 -0.320 0.000 1.235 320 Q HN -0.113 nan 8.270 nan 0.000 0.419 321 V N 3.468 123.358 119.914 -0.039 0.000 2.322 321 V HA 0.099 4.223 4.120 0.006 0.000 0.258 321 V C 0.701 176.834 176.094 0.065 0.000 1.074 321 V CA -0.319 61.955 62.300 -0.042 0.000 0.909 321 V CB 0.350 32.087 31.823 -0.143 0.000 1.090 321 V HN 0.870 nan 8.190 nan 0.000 0.486 322 T N 3.500 117.974 114.554 -0.133 0.000 2.899 322 T HA 0.685 5.038 4.350 0.006 0.000 0.295 322 T C -0.573 174.152 174.700 0.041 0.000 1.033 322 T CA -0.198 61.722 62.100 -0.300 0.000 1.084 322 T CB 0.947 69.295 68.868 -0.867 0.000 0.979 322 T HN 0.619 nan 8.240 nan 0.000 0.532 323 F N 0.106 120.094 119.950 0.065 0.000 2.858 323 F HA 0.509 5.040 4.527 0.006 0.000 0.319 323 F C 0.117 176.024 175.800 0.178 0.000 1.166 323 F CA -1.133 56.922 58.000 0.093 0.000 0.899 323 F CB 0.686 39.704 39.000 0.030 0.000 1.332 323 F HN 0.568 nan 8.300 nan 0.000 0.461 324 I N -1.269 119.515 120.570 0.357 0.000 4.181 324 I HA 0.417 4.591 4.170 0.006 0.000 0.331 324 I C -0.817 175.563 176.117 0.439 0.000 1.312 324 I CA 0.217 61.689 61.300 0.287 0.000 1.146 324 I CB 0.671 38.716 38.000 0.074 0.000 1.074 324 I HN 0.667 nan 8.210 nan 0.000 0.402 325 D N 0.962 121.655 120.400 0.488 0.000 2.742 325 D HA 0.230 4.873 4.640 0.006 0.000 0.262 325 D C -1.402 174.884 176.300 -0.022 0.000 1.240 325 D CA -0.477 53.705 54.000 0.305 0.000 0.752 325 D CB 1.165 42.145 40.800 0.299 0.000 1.290 325 D HN 0.301 nan 8.370 nan 0.000 0.420 326 N N -1.825 116.705 118.700 -0.285 0.000 3.441 326 N HA 0.067 4.811 4.740 0.006 0.000 0.313 326 N C 1.004 176.065 175.510 -0.748 0.000 1.526 326 N CA -0.320 52.234 53.050 -0.827 0.000 0.871 326 N CB -0.259 37.632 38.487 -0.993 0.000 1.779 326 N HN 0.527 nan 8.380 nan 0.000 0.529 327 H N -1.352 117.380 119.070 -0.564 0.000 2.489 327 H HA 0.024 4.584 4.556 0.006 0.000 0.295 327 H C -0.496 174.916 175.328 0.140 0.000 1.082 327 H CA 1.442 57.479 56.048 -0.019 0.000 1.295 327 H CB -0.330 29.649 29.762 0.362 0.000 1.380 327 H HN 0.497 nan 8.280 nan 0.000 0.548 328 D N 0.397 120.754 120.400 -0.073 0.000 2.349 328 D HA 0.186 4.830 4.640 0.006 0.000 0.214 328 D C 0.664 177.103 176.300 0.232 0.000 1.063 328 D CA 0.229 54.332 54.000 0.172 0.000 0.847 328 D CB 0.385 41.372 40.800 0.312 0.000 0.933 328 D HN 0.448 nan 8.370 nan 0.000 0.513 329 M N -0.283 119.412 119.600 0.158 0.000 2.719 329 M HA 0.372 4.856 4.480 0.006 0.000 0.291 329 M C -0.132 176.254 176.300 0.143 0.000 1.264 329 M CA -1.054 54.357 55.300 0.186 0.000 0.811 329 M CB 2.123 34.853 32.600 0.218 0.000 1.756 329 M HN -0.273 nan 8.290 nan 0.000 0.464 330 E N 0.731 121.010 120.200 0.132 0.000 2.376 330 E HA 0.386 4.739 4.350 0.006 0.000 0.254 330 E C -0.804 175.884 176.600 0.146 0.000 1.213 330 E CA -0.886 55.585 56.400 0.118 0.000 0.945 330 E CB 0.607 30.354 29.700 0.078 0.000 1.057 330 E HN 0.411 nan 8.360 nan 0.000 0.479 331 R N 0.483 121.074 120.500 0.151 0.000 2.537 331 R HA 0.010 4.353 4.340 0.006 0.000 0.280 331 R C 0.663 177.093 176.300 0.217 0.000 1.058 331 R CA -0.089 56.130 56.100 0.200 0.000 1.057 331 R CB 0.174 30.579 30.300 0.175 0.000 0.973 331 R HN 0.596 nan 8.270 nan 0.000 0.438 332 F N 2.047 122.075 119.950 0.131 0.000 2.202 332 F HA -0.196 4.334 4.527 0.006 0.000 0.301 332 F C 1.146 177.039 175.800 0.156 0.000 1.082 332 F CA 1.472 59.549 58.000 0.128 0.000 1.313 332 F CB -0.265 38.806 39.000 0.119 0.000 1.024 332 F HN 0.519 nan 8.300 nan 0.000 0.495 333 H N 0.830 120.122 119.070 0.371 0.000 2.782 333 H HA 0.509 5.069 4.556 0.006 0.000 0.285 333 H C -0.248 175.176 175.328 0.160 0.000 1.093 333 H CA -0.611 55.614 56.048 0.294 0.000 1.410 333 H CB 0.240 30.178 29.762 0.292 0.000 1.439 333 H HN 0.207 nan 8.280 nan 0.000 0.469 334 A N 3.999 126.606 122.820 -0.355 0.000 2.450 334 A HA 0.161 4.484 4.320 0.006 0.000 0.255 334 A C 1.664 178.935 177.584 -0.521 0.000 1.096 334 A CA 0.412 52.258 52.037 -0.319 0.000 0.778 334 A CB 0.187 19.073 19.000 -0.190 0.000 1.031 334 A HN 0.906 nan 8.150 nan 0.000 0.494 335 S N 2.231 117.788 115.700 -0.239 0.000 2.387 335 S HA -0.218 4.255 4.470 0.006 0.000 0.230 335 S C 1.841 176.374 174.600 -0.113 0.000 1.035 335 S CA 1.928 60.050 58.200 -0.130 0.000 1.014 335 S CB -0.592 62.584 63.200 -0.040 0.000 0.836 335 S HN 0.861 nan 8.310 nan 0.000 0.466 336 N N 0.603 119.237 118.700 -0.110 0.000 2.018 336 N HA -0.078 4.665 4.740 0.006 0.000 0.196 336 N C 0.659 176.145 175.510 -0.039 0.000 1.043 336 N CA 1.487 54.500 53.050 -0.061 0.000 0.856 336 N CB -0.151 38.307 38.487 -0.049 0.000 1.042 336 N HN 0.560 nan 8.380 nan 0.000 0.423 337 A N -0.353 122.434 122.820 -0.055 0.000 3.201 337 A HA 0.293 4.616 4.320 0.006 0.000 0.303 337 A C -0.918 176.762 177.584 0.160 0.000 1.173 337 A CA -0.503 51.559 52.037 0.043 0.000 0.621 337 A CB -0.175 18.848 19.000 0.038 0.000 1.468 337 A HN 0.252 nan 8.150 nan 0.000 0.632 338 N N 0.691 119.480 118.700 0.149 0.000 2.862 338 N HA -0.145 4.599 4.740 0.006 0.000 0.315 338 N C 1.065 176.739 175.510 0.274 0.000 1.129 338 N CA 0.730 53.885 53.050 0.175 0.000 0.806 338 N CB -0.201 38.361 38.487 0.125 0.000 1.009 338 N HN 0.567 nan 8.380 nan 0.000 0.601 339 R N 1.748 122.397 120.500 0.248 0.000 2.237 339 R HA -0.126 4.217 4.340 0.006 0.000 0.219 339 R C 1.650 178.082 176.300 0.220 0.000 1.080 339 R CA 0.588 56.819 56.100 0.217 0.000 0.995 339 R CB 0.021 30.259 30.300 -0.103 0.000 0.875 339 R HN 0.316 nan 8.270 nan 0.000 0.462 340 R N 2.177 122.778 120.500 0.168 0.000 2.120 340 R HA -0.081 4.263 4.340 0.006 0.000 0.234 340 R C 1.527 177.928 176.300 0.168 0.000 1.123 340 R CA 1.528 57.714 56.100 0.143 0.000 0.975 340 R CB -0.123 30.249 30.300 0.120 0.000 0.866 340 R HN 0.144 nan 8.270 nan 0.000 0.446 341 K N 0.302 120.846 120.400 0.242 0.000 2.002 341 K HA -0.169 4.155 4.320 0.006 0.000 0.209 341 K C 2.137 178.877 176.600 0.233 0.000 1.048 341 K CA 1.633 58.115 56.287 0.326 0.000 0.930 341 K CB -0.645 32.105 32.500 0.417 0.000 0.714 341 K HN 0.267 nan 8.250 nan 0.000 0.438 342 L N 2.030 123.396 121.223 0.239 0.000 1.990 342 L HA -0.258 4.086 4.340 0.006 0.000 0.213 342 L C 2.163 178.870 176.870 -0.270 0.000 1.072 342 L CA 1.770 56.511 54.840 -0.164 0.000 0.755 342 L CB -0.264 41.804 42.059 0.015 0.000 0.889 342 L HN 0.195 nan 8.230 nan 0.000 0.432 343 E N -0.637 119.520 120.200 -0.072 0.000 2.118 343 E HA -0.312 4.042 4.350 0.006 0.000 0.195 343 E C 2.199 178.724 176.600 -0.123 0.000 0.992 343 E CA 1.452 57.806 56.400 -0.076 0.000 0.804 343 E CB -0.206 29.514 29.700 0.033 0.000 0.741 343 E HN 0.630 nan 8.360 nan 0.000 0.458 344 Q N 0.282 120.007 119.800 -0.124 0.000 2.079 344 Q HA -0.115 4.228 4.340 0.006 0.000 0.200 344 Q C 2.187 177.878 176.000 -0.514 0.000 0.974 344 Q CA 1.360 57.058 55.803 -0.175 0.000 0.840 344 Q CB -0.089 28.648 28.738 -0.002 0.000 0.898 344 Q HN 0.318 nan 8.270 nan 0.000 0.430 345 A N 0.391 122.751 122.820 -0.766 0.000 1.898 345 A HA -0.158 4.165 4.320 0.006 0.000 0.216 345 A C 1.989 179.340 177.584 -0.388 0.000 1.181 345 A CA 0.881 52.376 52.037 -0.903 0.000 0.620 345 A CB -0.700 17.753 19.000 -0.910 0.000 0.819 345 A HN 0.407 nan 8.150 nan 0.000 0.442 346 L N -0.766 120.255 121.223 -0.338 0.000 2.012 346 L HA -0.249 4.094 4.340 0.006 0.000 0.210 346 L C 3.139 179.951 176.870 -0.097 0.000 1.073 346 L CA 1.477 56.202 54.840 -0.191 0.000 0.748 346 L CB -0.669 41.275 42.059 -0.193 0.000 0.891 346 L HN 0.488 nan 8.230 nan 0.000 0.431 347 A N -0.278 122.487 122.820 -0.092 0.000 1.883 347 A HA -0.316 4.008 4.320 0.006 0.000 0.217 347 A C 2.135 179.736 177.584 0.029 0.000 1.186 347 A CA 1.867 53.881 52.037 -0.037 0.000 0.624 347 A CB -1.011 17.973 19.000 -0.026 0.000 0.822 347 A HN 0.426 nan 8.150 nan 0.000 0.444 348 F N 1.235 121.124 119.950 -0.102 0.000 2.065 348 F HA -0.216 4.315 4.527 0.006 0.000 0.298 348 F C 2.562 178.414 175.800 0.087 0.000 1.112 348 F CA 2.532 60.539 58.000 0.011 0.000 1.212 348 F CB -0.690 38.226 39.000 -0.139 0.000 0.975 348 F HN 0.215 nan 8.300 nan 0.000 0.476 349 T N 1.265 115.994 114.554 0.292 0.000 2.833 349 T HA -0.134 4.219 4.350 0.006 0.000 0.269 349 T C 1.905 176.583 174.700 -0.036 0.000 1.054 349 T CA 1.654 63.889 62.100 0.224 0.000 1.135 349 T CB -0.416 68.616 68.868 0.273 0.000 0.869 349 T HN 0.244 nan 8.240 nan 0.000 0.466 350 L N 1.225 122.418 121.223 -0.051 0.000 2.492 350 L HA 0.094 4.437 4.340 0.006 0.000 0.223 350 L C 2.050 178.852 176.870 -0.113 0.000 1.132 350 L CA 0.812 55.597 54.840 -0.092 0.000 0.850 350 L CB -0.550 41.459 42.059 -0.083 0.000 0.966 350 L HN 0.307 nan 8.230 nan 0.000 0.454 351 T N -5.089 109.405 114.554 -0.101 0.000 3.182 351 T HA 0.284 4.637 4.350 0.006 0.000 0.277 351 T C 0.511 175.178 174.700 -0.055 0.000 1.013 351 T CA -0.315 61.739 62.100 -0.076 0.000 0.900 351 T CB 0.335 69.174 68.868 -0.047 0.000 1.098 351 T HN -0.016 nan 8.240 nan 0.000 0.543 352 S N 1.964 117.561 115.700 -0.171 0.000 2.664 352 S HA 0.587 5.061 4.470 0.006 0.000 0.304 352 S C 0.196 174.667 174.600 -0.215 0.000 1.099 352 S CA -1.205 56.853 58.200 -0.236 0.000 1.003 352 S CB 1.524 64.482 63.200 -0.402 0.000 1.092 352 S HN 0.676 nan 8.310 nan 0.000 0.525 353 R N 0.687 121.087 120.500 -0.167 0.000 2.767 353 R HA 0.328 4.671 4.340 0.006 0.000 0.264 353 R C 0.576 176.750 176.300 -0.210 0.000 0.987 353 R CA 0.747 56.768 56.100 -0.131 0.000 1.114 353 R CB -0.931 29.329 30.300 -0.067 0.000 0.976 353 R HN 0.994 nan 8.270 nan 0.000 0.437 354 G N 0.155 108.869 108.800 -0.143 0.000 2.725 354 G HA2 -0.215 3.748 3.960 0.006 0.000 0.220 354 G HA3 -0.215 3.748 3.960 0.006 0.000 0.220 354 G C -0.851 173.939 174.900 -0.184 0.000 1.357 354 G CA -0.343 44.663 45.100 -0.157 0.000 0.866 354 G HN 0.798 nan 8.290 nan 0.000 0.548 355 V N 1.529 121.337 119.914 -0.176 0.000 2.318 355 V HA 0.500 4.624 4.120 0.006 0.000 0.271 355 V C -1.892 174.105 176.094 -0.162 0.000 1.030 355 V CA -1.314 60.874 62.300 -0.186 0.000 0.844 355 V CB 1.337 33.020 31.823 -0.234 0.000 1.015 355 V HN 0.642 nan 8.190 nan 0.000 0.460 356 P HA 0.428 nan 4.420 nan 0.000 0.276 356 P C -0.350 176.964 177.300 0.023 0.000 1.235 356 P CA 0.176 63.230 63.100 -0.077 0.000 0.772 356 P CB 1.179 32.825 31.700 -0.090 0.000 0.871 357 A N 4.007 126.900 122.820 0.120 0.000 2.311 357 A HA 0.823 5.147 4.320 0.006 0.000 0.334 357 A C -0.546 177.131 177.584 0.155 0.000 1.139 357 A CA -0.811 51.349 52.037 0.205 0.000 0.830 357 A CB 0.694 19.914 19.000 0.367 0.000 1.234 357 A HN 0.490 nan 8.150 nan 0.000 0.483 358 I N 1.190 121.821 120.570 0.100 0.000 2.529 358 I HA 0.156 4.330 4.170 0.006 0.000 0.284 358 I C -1.361 174.681 176.117 -0.125 0.000 1.088 358 I CA -0.474 60.830 61.300 0.007 0.000 1.062 358 I CB 1.530 39.528 38.000 -0.002 0.000 1.218 358 I HN 0.696 nan 8.210 nan 0.000 0.442 359 Y N 8.041 128.205 120.300 -0.227 0.000 2.526 359 Y HA 0.063 4.616 4.550 0.006 0.000 0.330 359 Y C 0.154 175.797 175.900 -0.429 0.000 1.156 359 Y CA -0.807 57.117 58.100 -0.295 0.000 1.419 359 Y CB 0.176 38.527 38.460 -0.182 0.000 1.250 359 Y HN 0.468 nan 8.280 nan 0.000 0.540 360 Y N 3.472 123.329 120.300 -0.738 0.000 2.904 360 Y HA 0.292 4.846 4.550 0.006 0.000 0.336 360 Y C 1.142 176.844 175.900 -0.331 0.000 1.263 360 Y CA -0.235 57.484 58.100 -0.634 0.000 1.547 360 Y CB -0.040 38.221 38.460 -0.331 0.000 1.272 360 Y HN 0.905 nan 8.280 nan 0.000 0.596 361 G N 2.084 110.851 108.800 -0.055 0.000 2.199 361 G HA2 -0.373 3.591 3.960 0.006 0.000 0.254 361 G HA3 -0.373 3.591 3.960 0.006 0.000 0.254 361 G C 0.868 175.689 174.900 -0.133 0.000 0.982 361 G CA 0.514 45.559 45.100 -0.092 0.000 0.632 361 G HN 0.862 nan 8.290 nan 0.000 0.529 362 T N 1.548 115.996 114.554 -0.178 0.000 2.803 362 T HA -0.078 4.275 4.350 0.006 0.000 0.269 362 T C 2.075 176.627 174.700 -0.247 0.000 1.052 362 T CA 1.818 63.817 62.100 -0.169 0.000 1.136 362 T CB -0.219 68.570 68.868 -0.132 0.000 0.864 362 T HN 0.801 nan 8.240 nan 0.000 0.467 363 E N 0.840 120.967 120.200 -0.121 0.000 2.511 363 E HA -0.076 4.277 4.350 0.006 0.000 0.196 363 E C 1.093 177.640 176.600 -0.089 0.000 1.066 363 E CA 0.556 56.886 56.400 -0.117 0.000 0.871 363 E CB -0.003 29.757 29.700 0.100 0.000 0.863 363 E HN 0.436 nan 8.360 nan 0.000 0.520 364 Q N -0.079 119.679 119.800 -0.070 0.000 2.189 364 Q HA 0.074 4.417 4.340 0.006 0.000 0.223 364 Q C -0.681 175.425 176.000 0.177 0.000 0.828 364 Q CA -0.464 55.399 55.803 0.099 0.000 0.967 364 Q CB -0.031 28.768 28.738 0.101 0.000 1.139 364 Q HN 0.311 nan 8.270 nan 0.000 0.497 365 Y N 0.038 120.320 120.300 -0.030 0.000 2.994 365 Y HA -0.251 4.303 4.550 0.006 0.000 0.168 365 Y C 0.160 176.101 175.900 0.068 0.000 1.648 365 Y CA 0.251 58.296 58.100 -0.093 0.000 0.924 365 Y CB -2.179 36.124 38.460 -0.261 0.000 1.415 365 Y HN 0.158 nan 8.280 nan 0.000 0.391 366 M N 0.155 119.839 119.600 0.140 0.000 2.277 366 M HA 0.453 4.937 4.480 0.006 0.000 0.350 366 M C 0.715 177.122 176.300 0.179 0.000 1.180 366 M CA -0.116 55.253 55.300 0.116 0.000 1.103 366 M CB 1.533 34.115 32.600 -0.030 0.000 1.577 366 M HN 0.377 nan 8.290 nan 0.000 0.459 367 S N 0.206 115.989 115.700 0.139 0.000 2.667 367 S HA 0.966 5.439 4.470 0.006 0.000 0.292 367 S C 0.001 174.645 174.600 0.073 0.000 1.108 367 S CA -0.062 58.202 58.200 0.107 0.000 0.992 367 S CB 1.874 65.117 63.200 0.072 0.000 1.269 367 S HN 1.019 nan 8.310 nan 0.000 0.528 368 G N -1.222 107.611 108.800 0.055 0.000 2.357 368 G HA2 0.402 4.365 3.960 0.006 0.000 0.643 368 G HA3 0.402 4.365 3.960 0.006 0.000 0.643 368 G C -0.445 174.487 174.900 0.054 0.000 1.358 368 G CA -0.398 44.733 45.100 0.052 0.000 0.986 368 G HN 0.970 nan 8.290 nan 0.000 0.620 369 G N -1.281 107.548 108.800 0.050 0.000 2.857 369 G HA2 0.900 4.864 3.960 0.006 0.000 0.217 369 G HA3 0.900 4.864 3.960 0.006 0.000 0.217 369 G C 0.639 175.579 174.900 0.067 0.000 1.357 369 G CA 0.730 45.858 45.100 0.047 0.000 1.033 369 G HN 1.747 nan 8.290 nan 0.000 0.571 370 T N -0.697 113.891 114.554 0.057 0.000 2.856 370 T HA 0.286 4.639 4.350 0.006 0.000 0.306 370 T C 0.267 175.008 174.700 0.068 0.000 1.062 370 T CA 0.064 62.206 62.100 0.069 0.000 1.083 370 T CB 0.938 69.833 68.868 0.045 0.000 0.984 370 T HN 0.657 nan 8.240 nan 0.000 0.542 371 D N 2.167 122.620 120.400 0.088 0.000 2.648 371 D HA -0.022 4.621 4.640 0.006 0.000 0.229 371 D C -1.222 175.106 176.300 0.048 0.000 1.119 371 D CA -1.214 52.837 54.000 0.085 0.000 0.850 371 D CB 0.501 41.364 40.800 0.104 0.000 1.169 371 D HN 0.313 nan 8.370 nan 0.000 0.489 372 P HA 0.098 nan 4.420 nan 0.000 0.261 372 P C -0.087 177.233 177.300 0.033 0.000 1.268 372 P CA -0.009 63.116 63.100 0.042 0.000 0.833 372 P CB 0.338 32.041 31.700 0.005 0.000 1.231 373 D N 0.992 121.415 120.400 0.038 0.000 2.392 373 D HA -0.075 4.569 4.640 0.006 0.000 0.228 373 D C 0.845 177.187 176.300 0.070 0.000 1.003 373 D CA 0.679 54.702 54.000 0.037 0.000 0.917 373 D CB -0.307 40.510 40.800 0.028 0.000 0.890 373 D HN 0.402 nan 8.370 nan 0.000 0.532 374 N N -0.192 118.578 118.700 0.116 0.000 2.204 374 N HA 0.028 4.771 4.740 0.006 0.000 0.219 374 N C 0.549 176.215 175.510 0.260 0.000 1.151 374 N CA -0.182 52.980 53.050 0.188 0.000 0.867 374 N CB 0.297 38.930 38.487 0.244 0.000 1.043 374 N HN -0.083 nan 8.380 nan 0.000 0.516 375 R N 0.241 120.855 120.500 0.189 0.000 2.629 375 R HA 0.464 4.808 4.340 0.006 0.000 0.386 375 R C 0.198 176.608 176.300 0.184 0.000 1.071 375 R CA -0.208 56.043 56.100 0.253 0.000 1.104 375 R CB 0.684 31.025 30.300 0.069 0.000 1.370 375 R HN 0.234 nan 8.270 nan 0.000 0.574 376 A N 1.687 124.575 122.820 0.113 0.000 2.429 376 A HA 0.171 4.495 4.320 0.006 0.000 0.242 376 A C 0.263 177.939 177.584 0.153 0.000 1.088 376 A CA -0.265 51.809 52.037 0.063 0.000 0.784 376 A CB 0.152 19.165 19.000 0.022 0.000 1.038 376 A HN 0.501 nan 8.150 nan 0.000 0.501 377 R N 1.163 121.707 120.500 0.073 0.000 2.491 377 R HA 0.346 4.690 4.340 0.006 0.000 0.283 377 R C -0.247 176.106 176.300 0.088 0.000 1.072 377 R CA -0.405 55.751 56.100 0.094 0.000 1.048 377 R CB 0.186 30.490 30.300 0.008 0.000 0.983 377 R HN 0.605 nan 8.270 nan 0.000 0.450 378 I N 5.560 126.215 120.570 0.142 0.000 2.845 378 I HA -0.054 4.119 4.170 0.006 0.000 0.290 378 I C -1.413 174.558 176.117 -0.243 0.000 1.202 378 I CA -1.415 59.876 61.300 -0.014 0.000 1.406 378 I CB 1.001 38.994 38.000 -0.011 0.000 1.383 378 I HN 0.731 nan 8.210 nan 0.000 0.549 379 P HA -0.044 nan 4.420 nan 0.000 0.230 379 P C -0.364 176.790 177.300 -0.244 0.000 1.158 379 P CA 0.710 63.712 63.100 -0.165 0.000 0.769 379 P CB 0.006 31.660 31.700 -0.076 0.000 0.807 380 S N -2.169 113.279 115.700 -0.421 0.000 2.627 380 S HA 0.469 4.943 4.470 0.006 0.000 0.268 380 S C -1.375 172.807 174.600 -0.698 0.000 1.130 380 S CA -0.798 57.147 58.200 -0.424 0.000 0.819 380 S CB -0.152 62.953 63.200 -0.157 0.000 1.100 380 S HN -0.196 nan 8.310 nan 0.000 0.465 381 F N 1.947 121.772 119.950 -0.209 0.000 2.679 381 F HA 0.509 5.040 4.527 0.006 0.000 0.354 381 F C 0.849 176.575 175.800 -0.122 0.000 1.423 381 F CA -0.406 57.316 58.000 -0.462 0.000 1.141 381 F CB 1.083 39.669 39.000 -0.689 0.000 1.168 381 F HN 0.689 nan 8.300 nan 0.000 0.530 382 S N 0.027 115.806 115.700 0.132 0.000 2.537 382 S HA 0.280 4.753 4.470 0.006 0.000 0.275 382 S C 1.146 175.763 174.600 0.028 0.000 1.272 382 S CA -0.012 58.242 58.200 0.090 0.000 1.050 382 S CB 0.909 64.134 63.200 0.041 0.000 0.961 382 S HN 0.444 nan 8.310 nan 0.000 0.496 383 T N 1.193 115.623 114.554 -0.206 0.000 3.122 383 T HA 0.191 4.545 4.350 0.006 0.000 0.250 383 T C 1.258 175.674 174.700 -0.473 0.000 1.067 383 T CA 0.102 61.718 62.100 -0.807 0.000 0.966 383 T CB 0.027 68.454 68.868 -0.735 0.000 1.002 383 T HN 0.435 nan 8.240 nan 0.000 0.542 384 S N 2.079 117.675 115.700 -0.174 0.000 2.548 384 S HA 0.135 4.609 4.470 0.006 0.000 0.215 384 S C 1.188 175.800 174.600 0.019 0.000 0.976 384 S CA 0.118 58.281 58.200 -0.060 0.000 0.908 384 S CB -0.415 62.769 63.200 -0.027 0.000 0.781 384 S HN 0.869 nan 8.310 nan 0.000 0.519 385 T N -0.096 114.501 114.554 0.072 0.000 2.930 385 T HA 0.090 4.444 4.350 0.006 0.000 0.306 385 T C 1.215 176.050 174.700 0.225 0.000 1.045 385 T CA 0.066 62.289 62.100 0.204 0.000 1.134 385 T CB 0.960 70.028 68.868 0.332 0.000 0.961 385 T HN 0.031 nan 8.240 nan 0.000 0.545 386 T N 2.762 117.461 114.554 0.243 0.000 2.881 386 T HA 0.013 4.367 4.350 0.006 0.000 0.270 386 T C 2.263 177.082 174.700 0.199 0.000 1.068 386 T CA 1.185 63.404 62.100 0.197 0.000 1.131 386 T CB -0.527 68.441 68.868 0.166 0.000 0.871 386 T HN 0.854 nan 8.240 nan 0.000 0.479 387 A N -0.003 122.957 122.820 0.234 0.000 2.016 387 A HA 0.042 4.366 4.320 0.006 0.000 0.217 387 A C 1.989 179.592 177.584 0.032 0.000 1.162 387 A CA 0.770 52.810 52.037 0.004 0.000 0.662 387 A CB -0.661 18.080 19.000 -0.431 0.000 0.812 387 A HN 0.562 nan 8.150 nan 0.000 0.450 388 Y N 0.597 120.892 120.300 -0.008 0.000 2.286 388 Y HA -0.129 4.425 4.550 0.006 0.000 0.293 388 Y C 2.441 178.327 175.900 -0.023 0.000 1.124 388 Y CA 1.870 59.961 58.100 -0.015 0.000 1.178 388 Y CB -0.237 38.239 38.460 0.027 0.000 1.010 388 Y HN 0.410 nan 8.280 nan 0.000 0.536 389 Q N -0.650 119.323 119.800 0.289 0.000 2.016 389 Q HA -0.165 4.179 4.340 0.006 0.000 0.200 389 Q C 2.321 178.356 176.000 0.059 0.000 0.978 389 Q CA 2.049 57.959 55.803 0.178 0.000 0.833 389 Q CB -0.606 28.210 28.738 0.131 0.000 0.895 389 Q HN 0.366 nan 8.270 nan 0.000 0.427 390 V N 1.591 121.527 119.914 0.037 0.000 2.317 390 V HA -0.298 3.825 4.120 0.006 0.000 0.251 390 V C 2.228 178.290 176.094 -0.052 0.000 1.065 390 V CA 1.850 64.143 62.300 -0.011 0.000 1.049 390 V CB -0.642 31.172 31.823 -0.015 0.000 0.651 390 V HN 0.318 nan 8.190 nan 0.000 0.450 391 I N 0.318 120.839 120.570 -0.082 0.000 2.202 391 I HA -0.287 3.886 4.170 0.006 0.000 0.242 391 I C 2.701 178.734 176.117 -0.140 0.000 1.091 391 I CA 1.850 63.073 61.300 -0.129 0.000 1.368 391 I CB -0.587 37.303 38.000 -0.184 0.000 1.058 391 I HN 0.433 nan 8.210 nan 0.000 0.410 392 Q N 1.284 120.995 119.800 -0.148 0.000 2.443 392 Q HA -0.181 4.162 4.340 0.006 0.000 0.213 392 Q C 1.737 177.702 176.000 -0.058 0.000 0.982 392 Q CA 1.292 57.028 55.803 -0.111 0.000 0.894 392 Q CB 0.045 28.772 28.738 -0.019 0.000 0.947 392 Q HN 0.378 nan 8.270 nan 0.000 0.480 393 K N 0.200 120.570 120.400 -0.050 0.000 2.240 393 K HA 0.139 4.462 4.320 0.006 0.000 0.202 393 K C 1.943 178.505 176.600 -0.063 0.000 1.053 393 K CA 0.675 56.936 56.287 -0.043 0.000 0.973 393 K CB 0.141 32.625 32.500 -0.027 0.000 0.924 393 K HN 0.254 nan 8.250 nan 0.000 0.477 394 L N 0.835 122.013 121.223 -0.075 0.000 2.307 394 L HA 0.144 4.487 4.340 0.006 0.000 0.211 394 L C 2.462 179.272 176.870 -0.099 0.000 1.099 394 L CA 0.623 55.411 54.840 -0.088 0.000 0.816 394 L CB -0.616 41.389 42.059 -0.089 0.000 0.952 394 L HN -0.009 nan 8.230 nan 0.000 0.455 395 A N 1.533 124.291 122.820 -0.103 0.000 1.869 395 A HA -0.166 4.157 4.320 0.006 0.000 0.218 395 A C -0.237 177.274 177.584 -0.122 0.000 1.203 395 A CA 2.097 54.066 52.037 -0.114 0.000 0.638 395 A CB -2.063 16.865 19.000 -0.120 0.000 0.831 395 A HN 0.299 nan 8.150 nan 0.000 0.450 396 P HA 0.010 nan 4.420 nan 0.000 0.239 396 P C 0.985 178.213 177.300 -0.121 0.000 1.184 396 P CA 0.442 63.472 63.100 -0.116 0.000 0.760 396 P CB -0.137 31.505 31.700 -0.097 0.000 0.884 397 L N -0.572 120.578 121.223 -0.122 0.000 2.313 397 L HA -0.025 4.318 4.340 0.006 0.000 0.214 397 L C 2.399 179.172 176.870 -0.162 0.000 1.119 397 L CA 0.774 55.539 54.840 -0.125 0.000 0.809 397 L CB -0.291 41.700 42.059 -0.113 0.000 0.933 397 L HN 0.029 nan 8.230 nan 0.000 0.449 398 R N -0.122 120.267 120.500 -0.185 0.000 2.148 398 R HA -0.065 4.279 4.340 0.006 0.000 0.223 398 R C 1.728 177.866 176.300 -0.270 0.000 1.088 398 R CA 0.614 56.566 56.100 -0.247 0.000 0.985 398 R CB -0.178 29.974 30.300 -0.247 0.000 0.880 398 R HN 0.288 nan 8.270 nan 0.000 0.451 399 K N 0.703 120.977 120.400 -0.210 0.000 2.202 399 K HA 0.016 4.340 4.320 0.006 0.000 0.201 399 K C 2.336 178.838 176.600 -0.163 0.000 1.051 399 K CA 1.115 57.286 56.287 -0.192 0.000 0.977 399 K CB -0.264 32.138 32.500 -0.162 0.000 0.792 399 K HN 0.312 nan 8.250 nan 0.000 0.469 400 C N 0.382 119.597 119.300 -0.143 0.000 2.507 400 C HA 0.207 4.671 4.460 0.006 0.000 0.280 400 C C 0.890 175.808 174.990 -0.119 0.000 1.345 400 C CA -0.385 58.563 59.018 -0.117 0.000 1.736 400 C CB -0.720 26.963 27.740 -0.095 0.000 2.060 400 C HN 0.160 nan 8.230 nan 0.000 0.498 401 N N 1.497 120.115 118.700 -0.136 0.000 2.443 401 N HA 0.436 5.179 4.740 0.006 0.000 0.269 401 N C -2.249 173.156 175.510 -0.175 0.000 0.985 401 N CA -2.175 50.800 53.050 -0.125 0.000 0.921 401 N CB 1.877 40.305 38.487 -0.099 0.000 1.195 401 N HN 0.041 nan 8.380 nan 0.000 0.492 402 P HA 0.073 nan 4.420 nan 0.000 0.225 402 P C 0.625 177.783 177.300 -0.237 0.000 1.156 402 P CA 0.553 63.498 63.100 -0.257 0.000 0.787 402 P CB 0.314 31.948 31.700 -0.109 0.000 0.802 403 A N -0.609 122.206 122.820 -0.009 0.000 2.121 403 A HA -0.074 4.249 4.320 0.006 0.000 0.218 403 A C 2.042 179.616 177.584 -0.017 0.000 1.154 403 A CA 0.975 53.075 52.037 0.105 0.000 0.679 403 A CB -1.253 17.825 19.000 0.131 0.000 0.795 403 A HN 0.130 nan 8.150 nan 0.000 0.458 404 I N -1.414 119.078 120.570 -0.131 0.000 3.228 404 I HA -0.043 4.131 4.170 0.006 0.000 0.279 404 I C 2.447 178.405 176.117 -0.265 0.000 1.221 404 I CA 1.019 62.225 61.300 -0.157 0.000 1.458 404 I CB -0.074 37.834 38.000 -0.152 0.000 1.105 404 I HN 0.363 nan 8.210 nan 0.000 0.445 405 A N -0.723 121.811 122.820 -0.478 0.000 2.115 405 A HA 0.033 4.356 4.320 0.006 0.000 0.211 405 A C 1.216 178.312 177.584 -0.813 0.000 1.169 405 A CA 0.634 52.219 52.037 -0.752 0.000 0.787 405 A CB 0.005 18.343 19.000 -1.103 0.000 0.858 405 A HN 0.421 nan 8.150 nan 0.000 0.474 406 Y N -1.333 118.800 120.300 -0.278 0.000 2.590 406 Y HA 0.325 4.879 4.550 0.006 0.000 0.263 406 Y C 1.536 177.478 175.900 0.070 0.000 1.069 406 Y CA -1.022 56.934 58.100 -0.241 0.000 1.242 406 Y CB -0.695 37.271 38.460 -0.824 0.000 1.357 406 Y HN 0.175 nan 8.280 nan 0.000 0.556 407 G N 1.273 110.189 108.800 0.193 0.000 2.750 407 G HA2 0.326 4.289 3.960 0.006 0.000 0.250 407 G HA3 0.326 4.289 3.960 0.006 0.000 0.250 407 G C 0.408 175.443 174.900 0.225 0.000 1.230 407 G CA 0.237 45.517 45.100 0.300 0.000 0.883 407 G HN 0.260 nan 8.290 nan 0.000 0.573 408 S N -1.686 114.132 115.700 0.196 0.000 2.758 408 S HA 0.756 5.230 4.470 0.006 0.000 0.292 408 S C -0.320 174.358 174.600 0.129 0.000 1.131 408 S CA -0.660 57.629 58.200 0.148 0.000 0.997 408 S CB 1.952 65.230 63.200 0.130 0.000 1.111 408 S HN 0.593 nan 8.310 nan 0.000 0.552 409 T N 1.462 116.085 114.554 0.114 0.000 2.840 409 T HA 0.508 4.862 4.350 0.006 0.000 0.287 409 T C -1.133 173.642 174.700 0.126 0.000 0.991 409 T CA -0.504 61.671 62.100 0.125 0.000 0.964 409 T CB 1.223 70.141 68.868 0.085 0.000 0.954 409 T HN 0.647 nan 8.240 nan 0.000 0.438 410 Q N 2.380 122.273 119.800 0.155 0.000 2.323 410 Q HA 0.308 4.651 4.340 0.006 0.000 0.271 410 Q C -0.900 175.208 176.000 0.181 0.000 1.048 410 Q CA -0.664 55.224 55.803 0.142 0.000 0.792 410 Q CB 1.994 30.802 28.738 0.117 0.000 1.280 410 Q HN 0.668 nan 8.270 nan 0.000 0.441 411 E N 2.833 123.131 120.200 0.162 0.000 2.383 411 E HA 0.093 4.446 4.350 0.006 0.000 0.264 411 E C -0.177 176.525 176.600 0.171 0.000 1.050 411 E CA 0.260 56.770 56.400 0.183 0.000 0.896 411 E CB 0.673 30.456 29.700 0.138 0.000 0.982 411 E HN 0.707 nan 8.360 nan 0.000 0.424 412 R N 2.845 123.472 120.500 0.211 0.000 2.635 412 R HA 0.121 4.464 4.340 0.006 0.000 0.241 412 R C -0.271 176.203 176.300 0.290 0.000 0.941 412 R CA -0.187 56.042 56.100 0.215 0.000 1.014 412 R CB 1.024 31.455 30.300 0.217 0.000 1.517 412 R HN 0.545 nan 8.270 nan 0.000 0.594 413 W N 1.300 122.662 121.300 0.103 0.000 3.544 413 W HA 0.622 5.285 4.660 0.006 0.000 0.326 413 W C -1.724 174.829 176.519 0.057 0.000 1.137 413 W CA -0.459 56.935 57.345 0.082 0.000 1.252 413 W CB 1.248 30.766 29.460 0.098 0.000 1.302 413 W HN -0.109 nan 8.180 nan 0.000 0.467 414 I N 6.346 126.744 120.570 -0.287 0.000 2.828 414 I HA 0.409 4.582 4.170 0.006 0.000 0.295 414 I C -1.322 174.508 176.117 -0.478 0.000 1.459 414 I CA -0.508 60.664 61.300 -0.212 0.000 1.015 414 I CB 1.720 39.621 38.000 -0.166 0.000 1.345 414 I HN 0.681 nan 8.210 nan 0.000 0.449 415 N N 3.882 122.376 118.700 -0.343 0.000 3.649 415 N HA 0.282 5.025 4.740 0.006 0.000 0.342 415 N C -0.121 175.186 175.510 -0.338 0.000 1.609 415 N CA -0.710 52.166 53.050 -0.290 0.000 0.692 415 N CB -0.022 38.388 38.487 -0.129 0.000 2.712 415 N HN 0.467 nan 8.380 nan 0.000 0.598 416 N N -0.829 117.797 118.700 -0.123 0.000 2.135 416 N HA -0.022 4.721 4.740 0.006 0.000 0.186 416 N C -0.475 174.975 175.510 -0.100 0.000 1.027 416 N CA 1.138 54.133 53.050 -0.092 0.000 0.849 416 N CB -0.022 38.474 38.487 0.014 0.000 1.002 416 N HN 0.455 nan 8.380 nan 0.000 0.425 417 D N 0.171 120.548 120.400 -0.039 0.000 2.395 417 D HA 0.134 4.778 4.640 0.006 0.000 0.213 417 D C -0.390 175.922 176.300 0.019 0.000 1.110 417 D CA 0.084 54.068 54.000 -0.028 0.000 0.835 417 D CB 1.546 42.350 40.800 0.006 0.000 0.965 417 D HN -0.039 nan 8.370 nan 0.000 0.505 418 V N 1.329 121.281 119.914 0.063 0.000 2.823 418 V HA 0.508 4.631 4.120 0.006 0.000 0.312 418 V C -0.979 175.230 176.094 0.192 0.000 1.072 418 V CA -0.825 61.583 62.300 0.180 0.000 0.937 418 V CB 3.048 35.085 31.823 0.358 0.000 1.013 418 V HN -0.062 nan 8.190 nan 0.000 0.430 419 L N 5.373 126.753 121.223 0.261 0.000 2.562 419 L HA 0.614 4.958 4.340 0.006 0.000 0.266 419 L C -1.248 175.850 176.870 0.379 0.000 0.949 419 L CA 0.043 55.067 54.840 0.308 0.000 0.879 419 L CB 1.762 43.994 42.059 0.288 0.000 1.278 419 L HN 0.550 nan 8.230 nan 0.000 0.404 420 I N 5.744 126.550 120.570 0.392 0.000 2.464 420 I HA 0.303 4.476 4.170 0.006 0.000 0.277 420 I C -1.001 175.296 176.117 0.299 0.000 1.040 420 I CA -0.702 60.783 61.300 0.308 0.000 1.153 420 I CB 0.571 38.775 38.000 0.339 0.000 1.274 420 I HN 0.556 nan 8.210 nan 0.000 0.469 421 Y N 3.196 123.588 120.300 0.152 0.000 2.496 421 Y HA 0.766 5.320 4.550 0.006 0.000 0.331 421 Y C -0.165 175.785 175.900 0.084 0.000 1.140 421 Y CA -1.364 56.804 58.100 0.113 0.000 1.166 421 Y CB 1.041 39.550 38.460 0.083 0.000 1.249 421 Y HN 0.596 nan 8.280 nan 0.000 0.479 422 E N 2.486 122.787 120.200 0.168 0.000 2.256 422 E HA 0.463 4.817 4.350 0.006 0.000 0.268 422 E C -1.196 175.484 176.600 0.133 0.000 0.877 422 E CA -1.167 55.277 56.400 0.074 0.000 0.757 422 E CB 1.270 31.015 29.700 0.074 0.000 1.183 422 E HN 0.595 nan 8.360 nan 0.000 0.418 423 R N 3.042 123.599 120.500 0.095 0.000 2.404 423 R HA 0.441 4.784 4.340 0.006 0.000 0.291 423 R C -0.599 175.768 176.300 0.111 0.000 1.025 423 R CA -0.545 55.622 56.100 0.113 0.000 0.991 423 R CB 1.122 31.469 30.300 0.078 0.000 1.053 423 R HN 0.582 nan 8.270 nan 0.000 0.479 424 K N 2.474 122.960 120.400 0.143 0.000 2.601 424 K HA 0.330 4.653 4.320 0.006 0.000 0.249 424 K C -1.791 174.940 176.600 0.218 0.000 0.966 424 K CA -0.474 55.903 56.287 0.149 0.000 0.827 424 K CB 1.085 33.648 32.500 0.106 0.000 1.178 424 K HN 0.419 nan 8.250 nan 0.000 0.437 425 F N 4.111 124.099 119.950 0.062 0.000 2.659 425 F HA 0.391 4.921 4.527 0.006 0.000 0.342 425 F C 0.454 176.284 175.800 0.051 0.000 1.168 425 F CA 0.664 58.706 58.000 0.071 0.000 1.003 425 F CB 1.175 40.236 39.000 0.101 0.000 1.267 425 F HN 0.843 nan 8.300 nan 0.000 0.463 426 G N 3.592 112.182 108.800 -0.350 0.000 2.565 426 G HA2 -0.337 3.626 3.960 0.006 0.000 0.295 426 G HA3 -0.337 3.626 3.960 0.006 0.000 0.295 426 G C 0.569 175.457 174.900 -0.021 0.000 1.165 426 G CA 0.329 45.297 45.100 -0.219 0.000 0.977 426 G HN 1.425 nan 8.290 nan 0.000 0.546 427 S N 1.012 116.737 115.700 0.040 0.000 2.561 427 S HA 0.401 4.875 4.470 0.006 0.000 0.245 427 S C 0.172 174.846 174.600 0.124 0.000 1.001 427 S CA -0.011 58.258 58.200 0.113 0.000 1.002 427 S CB -0.029 63.238 63.200 0.112 0.000 0.805 427 S HN 0.635 nan 8.310 nan 0.000 0.458 428 N N 1.490 120.261 118.700 0.118 0.000 2.417 428 N HA 0.512 5.256 4.740 0.006 0.000 0.274 428 N C -1.082 174.512 175.510 0.140 0.000 0.987 428 N CA -0.285 52.820 53.050 0.091 0.000 0.912 428 N CB 2.288 40.833 38.487 0.096 0.000 1.177 428 N HN 0.065 nan 8.380 nan 0.000 0.490 429 V N 0.312 120.319 119.914 0.155 0.000 3.126 429 V HA 0.950 5.074 4.120 0.006 0.000 0.314 429 V C -0.397 175.741 176.094 0.073 0.000 1.138 429 V CA -0.907 61.469 62.300 0.128 0.000 1.034 429 V CB 1.888 33.797 31.823 0.144 0.000 1.075 429 V HN 0.797 nan 8.190 nan 0.000 0.442 430 A N 1.004 123.842 122.820 0.029 0.000 2.547 430 A HA 0.713 5.037 4.320 0.006 0.000 0.300 430 A C -1.646 175.897 177.584 -0.069 0.000 1.061 430 A CA -0.372 51.652 52.037 -0.023 0.000 0.808 430 A CB 1.460 20.431 19.000 -0.048 0.000 1.304 430 A HN 0.788 nan 8.150 nan 0.000 0.393 431 V N 2.368 122.238 119.914 -0.073 0.000 2.487 431 V HA 0.597 4.721 4.120 0.006 0.000 0.298 431 V C -0.399 175.477 176.094 -0.363 0.000 1.028 431 V CA -0.616 61.623 62.300 -0.103 0.000 0.860 431 V CB 1.702 33.629 31.823 0.174 0.000 0.991 431 V HN 0.827 nan 8.190 nan 0.000 0.427 432 V N 3.689 123.217 119.914 -0.643 0.000 2.350 432 V HA 0.756 4.880 4.120 0.006 0.000 0.285 432 V C 0.414 176.205 176.094 -0.505 0.000 1.014 432 V CA -0.649 61.213 62.300 -0.731 0.000 0.831 432 V CB 1.373 32.691 31.823 -0.841 0.000 1.000 432 V HN 0.945 nan 8.190 nan 0.000 0.433 433 A N 4.590 127.182 122.820 -0.380 0.000 2.290 433 A HA 0.823 5.146 4.320 0.006 0.000 0.310 433 A C -0.569 177.034 177.584 0.032 0.000 1.202 433 A CA -0.494 51.516 52.037 -0.045 0.000 0.837 433 A CB 1.284 20.375 19.000 0.151 0.000 1.139 433 A HN 0.712 nan 8.150 nan 0.000 0.509 434 V N 3.360 123.376 119.914 0.170 0.000 2.577 434 V HA 0.345 4.469 4.120 0.006 0.000 0.303 434 V C -0.847 175.364 176.094 0.195 0.000 1.042 434 V CA -0.720 61.716 62.300 0.226 0.000 0.872 434 V CB 1.991 34.058 31.823 0.407 0.000 0.998 434 V HN 0.934 nan 8.190 nan 0.000 0.423 435 N N 3.684 122.477 118.700 0.156 0.000 2.558 435 N HA 0.312 5.056 4.740 0.006 0.000 0.242 435 N C 0.911 176.497 175.510 0.128 0.000 0.979 435 N CA -0.741 52.378 53.050 0.115 0.000 0.931 435 N CB 1.326 39.856 38.487 0.073 0.000 1.122 435 N HN 0.639 nan 8.380 nan 0.000 0.508 436 R N 2.165 122.724 120.500 0.098 0.000 2.193 436 R HA 0.094 4.437 4.340 0.006 0.000 0.213 436 R C 0.505 176.844 176.300 0.065 0.000 1.055 436 R CA 0.379 56.532 56.100 0.088 0.000 0.995 436 R CB -0.432 29.826 30.300 -0.070 0.000 0.893 436 R HN 0.288 nan 8.270 nan 0.000 0.459 437 N N 1.572 120.300 118.700 0.046 0.000 2.429 437 N HA -0.068 4.675 4.740 0.006 0.000 0.271 437 N C 0.046 175.588 175.510 0.054 0.000 1.272 437 N CA 0.049 53.124 53.050 0.041 0.000 0.921 437 N CB 0.675 39.184 38.487 0.036 0.000 1.128 437 N HN 0.142 nan 8.380 nan 0.000 0.481 438 L N 3.858 125.115 121.223 0.056 0.000 2.492 438 L HA 0.105 4.448 4.340 0.006 0.000 0.223 438 L C 1.299 178.198 176.870 0.048 0.000 1.132 438 L CA 0.999 55.876 54.840 0.062 0.000 0.850 438 L CB -0.695 41.406 42.059 0.070 0.000 0.966 438 L HN 0.626 nan 8.230 nan 0.000 0.454 439 N N -1.448 117.275 118.700 0.039 0.000 2.250 439 N HA 0.259 5.003 4.740 0.006 0.000 0.190 439 N C 0.356 175.884 175.510 0.029 0.000 1.116 439 N CA 0.133 53.202 53.050 0.032 0.000 0.881 439 N CB 1.081 39.584 38.487 0.027 0.000 1.006 439 N HN 0.163 nan 8.380 nan 0.000 0.491 440 A N 1.373 124.211 122.820 0.031 0.000 2.413 440 A HA 0.663 4.986 4.320 0.006 0.000 0.307 440 A C -2.801 174.799 177.584 0.025 0.000 1.087 440 A CA -1.514 50.539 52.037 0.027 0.000 0.750 440 A CB 1.526 20.542 19.000 0.027 0.000 1.296 440 A HN -0.171 nan 8.150 nan 0.000 0.423 441 P HA 0.540 nan 4.420 nan 0.000 0.301 441 P C -0.708 176.585 177.300 -0.012 0.000 1.338 441 P CA -0.199 62.904 63.100 0.005 0.000 0.834 441 P CB 1.671 33.373 31.700 0.004 0.000 0.967 442 A N 2.626 125.424 122.820 -0.037 0.000 2.327 442 A HA 0.512 4.835 4.320 0.006 0.000 0.283 442 A C 0.184 177.671 177.584 -0.162 0.000 1.127 442 A CA -0.251 51.748 52.037 -0.062 0.000 0.810 442 A CB 0.232 19.202 19.000 -0.049 0.000 1.066 442 A HN 0.386 nan 8.150 nan 0.000 0.492 443 S N 1.489 117.114 115.700 -0.125 0.000 2.461 443 S HA 0.490 4.964 4.470 0.006 0.000 0.322 443 S C -0.509 173.940 174.600 -0.252 0.000 1.063 443 S CA -0.339 57.754 58.200 -0.180 0.000 1.120 443 S CB -0.540 62.622 63.200 -0.063 0.000 0.968 443 S HN 0.467 nan 8.310 nan 0.000 0.467 444 I N 4.116 124.330 120.570 -0.593 0.000 2.385 444 I HA 0.428 4.601 4.170 0.006 0.000 0.294 444 I C 0.190 176.103 176.117 -0.340 0.000 0.988 444 I CA 0.110 60.928 61.300 -0.803 0.000 1.265 444 I CB 1.598 38.688 38.000 -1.517 0.000 1.388 444 I HN 0.585 nan 8.210 nan 0.000 0.480 445 S N 2.989 118.703 115.700 0.022 0.000 2.603 445 S HA 0.705 5.179 4.470 0.006 0.000 0.274 445 S C 0.075 174.844 174.600 0.281 0.000 1.168 445 S CA -0.184 58.095 58.200 0.132 0.000 0.963 445 S CB 1.476 64.742 63.200 0.109 0.000 1.078 445 S HN 1.386 nan 8.310 nan 0.000 0.477 446 G N 1.326 110.252 108.800 0.210 0.000 2.144 446 G HA2 -0.197 3.767 3.960 0.006 0.000 0.218 446 G HA3 -0.197 3.767 3.960 0.006 0.000 0.218 446 G C -0.193 174.869 174.900 0.270 0.000 0.988 446 G CA -0.096 45.131 45.100 0.213 0.000 0.659 446 G HN 1.251 nan 8.290 nan 0.000 0.522 447 L N 1.429 122.825 121.223 0.288 0.000 2.360 447 L HA 0.648 4.992 4.340 0.006 0.000 0.276 447 L C 0.198 177.170 176.870 0.169 0.000 1.121 447 L CA -0.627 54.396 54.840 0.306 0.000 0.845 447 L CB 0.966 43.154 42.059 0.214 0.000 1.143 447 L HN 0.011 nan 8.230 nan 0.000 0.452 448 V N 3.992 123.999 119.914 0.156 0.000 2.667 448 V HA 0.714 4.837 4.120 0.006 0.000 0.308 448 V C 0.254 176.391 176.094 0.072 0.000 1.048 448 V CA -0.105 62.247 62.300 0.087 0.000 0.928 448 V CB 1.789 33.658 31.823 0.077 0.000 1.004 448 V HN 0.942 nan 8.190 nan 0.000 0.444 449 T N -0.205 114.363 114.554 0.024 0.000 2.778 449 T HA 0.353 4.707 4.350 0.006 0.000 0.293 449 T C 0.482 175.173 174.700 -0.015 0.000 1.144 449 T CA -0.047 62.057 62.100 0.008 0.000 1.010 449 T CB 1.876 70.727 68.868 -0.028 0.000 1.325 449 T HN 0.300 nan 8.240 nan 0.000 0.515 450 S N -0.273 115.418 115.700 -0.016 0.000 2.528 450 S HA 0.323 4.796 4.470 0.006 0.000 0.219 450 S C 0.866 175.425 174.600 -0.068 0.000 0.985 450 S CA -0.322 57.868 58.200 -0.018 0.000 0.914 450 S CB -0.713 62.499 63.200 0.021 0.000 0.776 450 S HN 0.509 nan 8.310 nan 0.000 0.526 451 L N 2.698 123.845 121.223 -0.127 0.000 2.514 451 L HA 0.110 4.454 4.340 0.006 0.000 0.280 451 L C -2.008 174.764 176.870 -0.164 0.000 1.223 451 L CA -1.365 53.339 54.840 -0.226 0.000 0.864 451 L CB -0.387 41.339 42.059 -0.556 0.000 1.118 451 L HN 0.023 nan 8.230 nan 0.000 0.494 452 P HA 0.004 nan 4.420 nan 0.000 0.288 452 P C -1.095 176.209 177.300 0.006 0.000 1.291 452 P CA -0.525 62.472 63.100 -0.172 0.000 0.766 452 P CB 0.326 31.812 31.700 -0.356 0.000 1.242 453 Q N -0.238 119.538 119.800 -0.040 0.000 2.259 453 Q HA 0.518 4.861 4.340 0.006 0.000 0.249 453 Q C -0.256 175.689 176.000 -0.091 0.000 0.914 453 Q CA -0.297 55.488 55.803 -0.030 0.000 0.904 453 Q CB 0.223 28.933 28.738 -0.047 0.000 1.213 453 Q HN 0.699 nan 8.270 nan 0.000 0.428 454 G N 1.185 109.906 108.800 -0.131 0.000 2.361 454 G HA2 0.016 3.979 3.960 0.006 0.000 0.331 454 G HA3 0.016 3.979 3.960 0.006 0.000 0.331 454 G C -1.339 173.311 174.900 -0.417 0.000 1.324 454 G CA -0.333 44.600 45.100 -0.279 0.000 0.984 454 G HN 0.736 nan 8.290 nan 0.000 0.586 455 S N -1.152 114.290 115.700 -0.430 0.000 2.610 455 S HA 0.797 5.270 4.470 0.006 0.000 0.273 455 S C -0.966 173.275 174.600 -0.599 0.000 1.274 455 S CA -0.324 57.656 58.200 -0.366 0.000 1.023 455 S CB 0.742 63.819 63.200 -0.206 0.000 0.962 455 S HN 0.817 nan 8.310 nan 0.000 0.523 456 Y N 2.170 122.394 120.300 -0.127 0.000 2.331 456 Y HA 0.401 4.955 4.550 0.006 0.000 0.326 456 Y C -0.130 175.799 175.900 0.047 0.000 1.020 456 Y CA -1.114 56.964 58.100 -0.036 0.000 1.136 456 Y CB 1.366 39.791 38.460 -0.057 0.000 1.157 456 Y HN 0.609 nan 8.280 nan 0.000 0.444 457 N N 2.158 120.993 118.700 0.225 0.000 2.472 457 N HA 0.050 4.794 4.740 0.006 0.000 0.277 457 N C -0.735 174.951 175.510 0.295 0.000 1.081 457 N CA -0.482 52.694 53.050 0.210 0.000 0.973 457 N CB 0.997 39.547 38.487 0.106 0.000 1.105 457 N HN 0.688 nan 8.380 nan 0.000 0.470 458 D N 1.564 122.142 120.400 0.297 0.000 2.502 458 D HA -0.061 4.582 4.640 0.006 0.000 0.249 458 D C 1.115 177.440 176.300 0.043 0.000 1.188 458 D CA 0.022 54.106 54.000 0.141 0.000 0.890 458 D CB 0.663 41.523 40.800 0.099 0.000 1.140 458 D HN 0.169 nan 8.370 nan 0.000 0.505 459 V N 4.871 124.773 119.914 -0.021 0.000 2.324 459 V HA -0.259 3.864 4.120 0.006 0.000 0.250 459 V C 2.388 178.464 176.094 -0.031 0.000 1.060 459 V CA 1.360 63.645 62.300 -0.024 0.000 1.042 459 V CB -0.521 31.266 31.823 -0.060 0.000 0.650 459 V HN 0.690 nan 8.190 nan 0.000 0.450 460 L N 0.510 121.699 121.223 -0.057 0.000 2.642 460 L HA 0.040 4.384 4.340 0.006 0.000 0.236 460 L C 1.558 178.425 176.870 -0.005 0.000 1.169 460 L CA 0.805 55.622 54.840 -0.037 0.000 0.851 460 L CB -1.098 40.929 42.059 -0.054 0.000 0.968 460 L HN 0.642 nan 8.230 nan 0.000 0.453 461 G N 0.392 109.197 108.800 0.009 0.000 2.371 461 G HA2 -0.253 3.710 3.960 0.006 0.000 0.299 461 G HA3 -0.253 3.710 3.960 0.006 0.000 0.299 461 G C 1.033 175.952 174.900 0.032 0.000 1.014 461 G CA 0.420 45.536 45.100 0.027 0.000 1.097 461 G HN 0.666 nan 8.290 nan 0.000 0.512 462 G N -1.252 107.571 108.800 0.039 0.000 2.225 462 G HA2 -0.270 3.694 3.960 0.006 0.000 0.272 462 G HA3 -0.270 3.694 3.960 0.006 0.000 0.272 462 G C 1.338 176.259 174.900 0.036 0.000 0.996 462 G CA 0.931 46.059 45.100 0.046 0.000 0.710 462 G HN 1.478 nan 8.290 nan 0.000 0.522 463 L N -0.387 120.851 121.223 0.026 0.000 2.043 463 L HA 0.078 4.422 4.340 0.006 0.000 0.212 463 L C 2.269 179.157 176.870 0.031 0.000 1.075 463 L CA 2.004 56.861 54.840 0.027 0.000 0.752 463 L CB -0.427 41.646 42.059 0.023 0.000 0.891 463 L HN 0.455 nan 8.230 nan 0.000 0.432 464 L N -0.399 120.838 121.223 0.024 0.000 2.912 464 L HA 0.170 4.513 4.340 0.006 0.000 0.240 464 L C 0.302 177.197 176.870 0.042 0.000 1.262 464 L CA -0.016 54.843 54.840 0.032 0.000 1.058 464 L CB -0.564 41.507 42.059 0.020 0.000 1.383 464 L HN 0.379 nan 8.230 nan 0.000 0.512 465 N N -0.876 117.852 118.700 0.046 0.000 2.782 465 N HA -0.153 4.591 4.740 0.006 0.000 0.251 465 N C 0.564 176.119 175.510 0.076 0.000 1.101 465 N CA 0.658 53.743 53.050 0.058 0.000 0.764 465 N CB -0.904 37.618 38.487 0.058 0.000 1.122 465 N HN 0.548 nan 8.380 nan 0.000 0.561 466 G N 0.255 109.096 108.800 0.069 0.000 2.415 466 G HA2 0.409 4.373 3.960 0.006 0.000 0.269 466 G HA3 0.409 4.373 3.960 0.006 0.000 0.269 466 G C 0.280 175.280 174.900 0.167 0.000 1.209 466 G CA -0.398 44.762 45.100 0.100 0.000 0.835 466 G HN 0.360 nan 8.290 nan 0.000 0.534 467 N N -0.027 118.844 118.700 0.285 0.000 2.478 467 N HA 0.364 5.108 4.740 0.006 0.000 0.275 467 N C -0.150 175.576 175.510 0.362 0.000 1.221 467 N CA -0.480 52.735 53.050 0.274 0.000 0.979 467 N CB 0.644 39.290 38.487 0.265 0.000 1.202 467 N HN 0.354 nan 8.380 nan 0.000 0.564 468 T N -0.660 113.995 114.554 0.167 0.000 2.869 468 T HA 0.395 4.748 4.350 0.006 0.000 0.295 468 T C 0.326 174.891 174.700 -0.225 0.000 0.987 468 T CA -0.791 61.351 62.100 0.071 0.000 1.109 468 T CB 0.711 69.590 68.868 0.018 0.000 0.932 468 T HN 0.510 nan 8.240 nan 0.000 0.518 469 L N 1.892 122.788 121.223 -0.544 0.000 2.309 469 L HA 0.661 5.004 4.340 0.006 0.000 0.282 469 L C 0.051 176.638 176.870 -0.471 0.000 1.036 469 L CA -0.186 54.082 54.840 -0.954 0.000 0.806 469 L CB 2.014 42.865 42.059 -2.013 0.000 1.220 469 L HN 0.670 nan 8.230 nan 0.000 0.429 470 S N 3.837 119.261 115.700 -0.461 0.000 2.532 470 S HA 0.548 5.022 4.470 0.006 0.000 0.318 470 S C -0.895 173.579 174.600 -0.210 0.000 1.083 470 S CA -0.566 57.485 58.200 -0.249 0.000 1.131 470 S CB 0.316 63.401 63.200 -0.193 0.000 0.973 470 S HN 0.446 nan 8.310 nan 0.000 0.468 471 V N 5.149 125.010 119.914 -0.088 0.000 2.333 471 V HA 0.572 4.695 4.120 0.006 0.000 0.274 471 V C 1.166 177.242 176.094 -0.030 0.000 1.028 471 V CA -0.530 61.739 62.300 -0.052 0.000 0.851 471 V CB 0.954 32.794 31.823 0.030 0.000 1.000 471 V HN 0.818 nan 8.190 nan 0.000 0.456 472 G N 3.454 112.226 108.800 -0.046 0.000 2.525 472 G HA2 0.429 4.393 3.960 0.006 0.000 0.287 472 G HA3 0.429 4.393 3.960 0.006 0.000 0.287 472 G C 0.346 175.230 174.900 -0.028 0.000 1.350 472 G CA -0.098 44.980 45.100 -0.036 0.000 1.039 472 G HN 0.868 nan 8.290 nan 0.000 0.513 473 S N -1.589 114.096 115.700 -0.025 0.000 2.563 473 S HA 0.391 4.864 4.470 0.006 0.000 0.284 473 S C 1.454 176.044 174.600 -0.016 0.000 1.331 473 S CA 0.669 58.855 58.200 -0.022 0.000 1.047 473 S CB 0.846 64.035 63.200 -0.019 0.000 0.859 473 S HN 2.434 nan 8.310 nan 0.000 0.514 474 G N 1.843 110.633 108.800 -0.016 0.000 2.253 474 G HA2 0.067 4.030 3.960 0.006 0.000 0.251 474 G HA3 0.067 4.030 3.960 0.006 0.000 0.251 474 G C 1.212 176.106 174.900 -0.011 0.000 0.998 474 G CA 0.523 45.617 45.100 -0.009 0.000 0.621 474 G HN 2.494 nan 8.290 nan 0.000 0.524 475 G N -0.900 107.888 108.800 -0.020 0.000 2.131 475 G HA2 0.257 4.221 3.960 0.006 0.000 0.223 475 G HA3 0.257 4.221 3.960 0.006 0.000 0.223 475 G C 0.554 175.442 174.900 -0.020 0.000 0.990 475 G CA 1.082 46.166 45.100 -0.028 0.000 0.671 475 G HN 2.276 nan 8.290 nan 0.000 0.521 476 A N 0.410 123.223 122.820 -0.012 0.000 2.666 476 A HA 0.833 5.157 4.320 0.006 0.000 0.312 476 A C 1.090 178.662 177.584 -0.020 0.000 1.471 476 A CA 1.016 53.055 52.037 0.002 0.000 1.134 476 A CB -0.187 18.822 19.000 0.015 0.000 1.129 476 A HN 2.113 nan 8.150 nan 0.000 0.539 477 A N 2.906 125.701 122.820 -0.041 0.000 2.520 477 A HA 0.452 4.776 4.320 0.006 0.000 0.235 477 A C 1.050 178.612 177.584 -0.038 0.000 1.065 477 A CA 0.182 52.154 52.037 -0.108 0.000 0.764 477 A CB -0.089 18.794 19.000 -0.194 0.000 1.002 477 A HN 0.854 nan 8.150 nan 0.000 0.502 478 S N 0.665 116.317 115.700 -0.079 0.000 2.617 478 S HA 0.090 4.563 4.470 0.006 0.000 0.259 478 S C 0.384 175.066 174.600 0.136 0.000 1.301 478 S CA -0.451 57.749 58.200 -0.000 0.000 0.984 478 S CB 0.113 63.291 63.200 -0.037 0.000 0.954 478 S HN 0.729 nan 8.310 nan 0.000 0.572 479 N N 1.486 120.263 118.700 0.128 0.000 2.402 479 N HA 0.354 5.097 4.740 0.006 0.000 0.252 479 N C -0.874 174.758 175.510 0.204 0.000 1.118 479 N CA -0.204 52.934 53.050 0.147 0.000 0.945 479 N CB 0.168 38.690 38.487 0.059 0.000 1.147 479 N HN 0.424 nan 8.380 nan 0.000 0.495 480 F N -0.664 119.225 119.950 -0.102 0.000 2.639 480 F HA 0.605 5.135 4.527 0.006 0.000 0.339 480 F C -0.019 175.732 175.800 -0.080 0.000 1.071 480 F CA -1.416 56.532 58.000 -0.086 0.000 0.994 480 F CB 0.599 39.538 39.000 -0.103 0.000 1.341 480 F HN -0.080 nan 8.300 nan 0.000 0.498 481 T N 3.295 117.808 114.554 -0.068 0.000 2.821 481 T HA 0.394 4.747 4.350 0.006 0.000 0.307 481 T C -0.772 173.862 174.700 -0.110 0.000 1.034 481 T CA -0.305 61.698 62.100 -0.161 0.000 0.953 481 T CB 0.463 69.302 68.868 -0.048 0.000 0.968 481 T HN 0.645 nan 8.240 nan 0.000 0.462 482 L N 4.624 125.699 121.223 -0.248 0.000 2.477 482 L HA 0.506 4.850 4.340 0.006 0.000 0.272 482 L C 0.635 177.493 176.870 -0.019 0.000 1.157 482 L CA -0.074 54.714 54.840 -0.087 0.000 0.889 482 L CB -0.393 41.570 42.059 -0.160 0.000 1.158 482 L HN 0.713 nan 8.230 nan 0.000 0.473 483 A N 5.008 127.853 122.820 0.041 0.000 2.445 483 A HA 0.579 4.903 4.320 0.006 0.000 0.242 483 A C 0.512 178.120 177.584 0.040 0.000 1.075 483 A CA -0.022 52.040 52.037 0.041 0.000 0.777 483 A CB -0.136 18.899 19.000 0.059 0.000 1.013 483 A HN 1.202 nan 8.150 nan 0.000 0.493 484 A N 1.056 123.899 122.820 0.037 0.000 2.567 484 A HA 0.451 4.775 4.320 0.006 0.000 0.240 484 A C 1.665 179.284 177.584 0.059 0.000 1.053 484 A CA 0.730 52.794 52.037 0.044 0.000 0.755 484 A CB -0.926 18.098 19.000 0.040 0.000 0.978 484 A HN 2.754 nan 8.150 nan 0.000 0.507 485 G N 1.903 110.747 108.800 0.073 0.000 2.244 485 G HA2 -0.036 3.927 3.960 0.006 0.000 0.274 485 G HA3 -0.036 3.927 3.960 0.006 0.000 0.274 485 G C 0.857 175.813 174.900 0.094 0.000 1.002 485 G CA 1.013 46.170 45.100 0.096 0.000 0.740 485 G HN 1.891 nan 8.290 nan 0.000 0.516 486 G N -1.659 107.189 108.800 0.082 0.000 2.606 486 G HA2 0.576 4.539 3.960 0.006 0.000 0.252 486 G HA3 0.576 4.539 3.960 0.006 0.000 0.252 486 G C -0.247 174.700 174.900 0.079 0.000 1.206 486 G CA 0.670 45.816 45.100 0.076 0.000 0.861 486 G HN 0.672 nan 8.290 nan 0.000 0.561 487 T N -0.286 114.298 114.554 0.049 0.000 3.105 487 T HA 0.632 4.985 4.350 0.006 0.000 0.321 487 T C -0.489 174.167 174.700 -0.074 0.000 1.135 487 T CA 0.195 62.300 62.100 0.009 0.000 1.053 487 T CB 1.492 70.373 68.868 0.022 0.000 1.133 487 T HN 1.149 nan 8.240 nan 0.000 0.463 488 A N 2.379 125.067 122.820 -0.220 0.000 2.556 488 A HA 0.920 5.243 4.320 0.006 0.000 0.294 488 A C -1.515 175.578 177.584 -0.818 0.000 1.091 488 A CA -0.650 51.116 52.037 -0.453 0.000 0.704 488 A CB 1.851 20.613 19.000 -0.395 0.000 1.300 488 A HN 0.658 nan 8.150 nan 0.000 0.406 489 V N 2.469 121.863 119.914 -0.867 0.000 2.509 489 V HA 0.407 4.530 4.120 0.006 0.000 0.289 489 V C -1.319 174.406 176.094 -0.614 0.000 1.026 489 V CA -0.499 61.351 62.300 -0.749 0.000 0.872 489 V CB 1.058 32.657 31.823 -0.372 0.000 1.017 489 V HN 0.807 nan 8.190 nan 0.000 0.436 490 W N 4.351 125.597 121.300 -0.089 0.000 2.570 490 W HA 0.771 5.434 4.660 0.006 0.000 0.337 490 W C -0.063 176.391 176.519 -0.109 0.000 1.067 490 W CA -0.611 56.687 57.345 -0.078 0.000 1.229 490 W CB 1.740 31.116 29.460 -0.140 0.000 1.355 490 W HN 0.666 nan 8.180 nan 0.000 0.555 491 Q N 1.562 121.459 119.800 0.161 0.000 2.511 491 Q HA 0.547 4.891 4.340 0.006 0.000 0.289 491 Q C -2.404 173.728 176.000 0.221 0.000 1.021 491 Q CA -0.928 54.935 55.803 0.099 0.000 0.785 491 Q CB 3.258 32.020 28.738 0.041 0.000 1.472 491 Q HN 0.468 nan 8.270 nan 0.000 0.411 492 Y N 0.953 121.284 120.300 0.051 0.000 2.386 492 Y HA 0.547 5.101 4.550 0.006 0.000 0.334 492 Y C -1.558 174.383 175.900 0.069 0.000 1.002 492 Y CA -0.168 57.999 58.100 0.112 0.000 1.068 492 Y CB 2.232 40.774 38.460 0.137 0.000 1.203 492 Y HN 0.865 nan 8.280 nan 0.000 0.443 493 T N 2.395 116.536 114.554 -0.688 0.000 2.932 493 T HA 0.997 5.351 4.350 0.006 0.000 0.289 493 T C -0.690 173.513 174.700 -0.829 0.000 1.039 493 T CA -0.485 61.272 62.100 -0.572 0.000 1.024 493 T CB 1.842 70.555 68.868 -0.259 0.000 1.090 493 T HN 1.372 nan 8.240 nan 0.000 0.496 494 A N 0.636 123.197 122.820 -0.431 0.000 2.585 494 A HA 0.750 5.074 4.320 0.006 0.000 0.299 494 A C -0.275 177.253 177.584 -0.092 0.000 1.047 494 A CA -0.660 51.226 52.037 -0.251 0.000 0.723 494 A CB 0.250 19.133 19.000 -0.196 0.000 1.275 494 A HN 1.723 nan 8.150 nan 0.000 0.408 495 A N 1.316 124.108 122.820 -0.047 0.000 2.567 495 A HA 0.507 4.830 4.320 0.006 0.000 0.240 495 A C 0.570 178.152 177.584 -0.003 0.000 1.053 495 A CA 1.127 53.151 52.037 -0.021 0.000 0.755 495 A CB -0.487 18.508 19.000 -0.009 0.000 0.978 495 A HN 1.152 nan 8.150 nan 0.000 0.507 496 T N 3.079 117.629 114.554 -0.007 0.000 2.744 496 T HA 0.455 4.808 4.350 0.006 0.000 0.291 496 T C 1.467 176.162 174.700 -0.008 0.000 0.957 496 T CA 0.189 62.284 62.100 -0.008 0.000 1.002 496 T CB 1.518 70.376 68.868 -0.017 0.000 0.919 496 T HN 0.881 nan 8.240 nan 0.000 0.468 497 A N 3.912 126.733 122.820 0.002 0.000 1.825 497 A HA 0.060 4.383 4.320 0.006 0.000 0.214 497 A C 1.534 179.132 177.584 0.023 0.000 1.206 497 A CA 0.966 53.011 52.037 0.014 0.000 0.609 497 A CB -0.952 18.059 19.000 0.018 0.000 0.851 497 A HN 0.764 nan 8.150 nan 0.000 0.445 498 T N -1.046 113.518 114.554 0.016 0.000 2.904 498 T HA 0.503 4.857 4.350 0.006 0.000 0.290 498 T C -2.868 171.855 174.700 0.038 0.000 1.018 498 T CA -2.030 60.092 62.100 0.037 0.000 1.075 498 T CB 0.853 69.737 68.868 0.027 0.000 0.986 498 T HN 0.101 nan 8.240 nan 0.000 0.523 499 P HA 0.228 nan 4.420 nan 0.000 0.262 499 P C -0.603 176.770 177.300 0.122 0.000 1.199 499 P CA -0.034 63.187 63.100 0.202 0.000 0.763 499 P CB 0.034 31.970 31.700 0.393 0.000 0.790 500 T N 4.644 119.193 114.554 -0.008 0.000 2.840 500 T HA 0.483 4.837 4.350 0.006 0.000 0.287 500 T C 0.235 174.990 174.700 0.091 0.000 0.991 500 T CA -0.432 61.644 62.100 -0.041 0.000 0.964 500 T CB 0.726 69.406 68.868 -0.314 0.000 0.954 500 T HN 0.189 nan 8.240 nan 0.000 0.438 501 I N 2.437 123.126 120.570 0.198 0.000 2.342 501 I HA 0.410 4.583 4.170 0.006 0.000 0.291 501 I C 1.235 177.480 176.117 0.214 0.000 1.010 501 I CA -0.150 61.272 61.300 0.203 0.000 1.308 501 I CB 1.477 39.538 38.000 0.102 0.000 1.400 501 I HN 0.907 nan 8.210 nan 0.000 0.488 502 G N 4.892 113.638 108.800 -0.090 0.000 2.848 502 G HA2 0.086 4.049 3.960 0.006 0.000 0.213 502 G HA3 0.086 4.049 3.960 0.006 0.000 0.213 502 G C 0.317 174.987 174.900 -0.382 0.000 1.101 502 G CA 0.245 45.121 45.100 -0.374 0.000 0.778 502 G HN 0.610 nan 8.290 nan 0.000 0.536 503 H N -1.284 117.440 119.070 -0.576 0.000 3.014 503 H HA 0.552 5.111 4.556 0.006 0.000 0.337 503 H C -2.010 172.967 175.328 -0.586 0.000 1.320 503 H CA -0.255 55.527 56.048 -0.444 0.000 1.128 503 H CB 2.420 32.046 29.762 -0.227 0.000 1.862 503 H HN -0.092 nan 8.280 nan 0.000 0.536 504 V N 0.912 120.381 119.914 -0.742 0.000 2.932 504 V HA 0.683 4.806 4.120 0.006 0.000 0.307 504 V C -0.276 175.789 176.094 -0.048 0.000 1.147 504 V CA -0.146 61.927 62.300 -0.379 0.000 0.951 504 V CB 2.032 33.554 31.823 -0.502 0.000 1.031 504 V HN 0.990 nan 8.190 nan 0.000 0.426 505 G N 3.866 112.762 108.800 0.160 0.000 2.503 505 G HA2 0.602 4.566 3.960 0.006 0.000 0.305 505 G HA3 0.602 4.566 3.960 0.006 0.000 0.305 505 G C -3.554 171.481 174.900 0.225 0.000 1.575 505 G CA -0.795 44.462 45.100 0.261 0.000 0.890 505 G HN 0.501 nan 8.290 nan 0.000 0.612 506 P HA 0.260 nan 4.420 nan 0.000 0.271 506 P C 0.620 178.076 177.300 0.259 0.000 1.244 506 P CA -0.374 62.843 63.100 0.194 0.000 0.793 506 P CB 0.645 32.410 31.700 0.110 0.000 0.984 507 M N -0.067 119.600 119.600 0.112 0.000 2.404 507 M HA 0.276 4.759 4.480 0.006 0.000 0.271 507 M C 0.045 176.123 176.300 -0.371 0.000 1.128 507 M CA 0.565 55.887 55.300 0.037 0.000 0.982 507 M CB -0.398 32.257 32.600 0.091 0.000 1.445 507 M HN 0.405 nan 8.290 nan 0.000 0.495 508 M N 0.889 120.277 119.600 -0.353 0.000 2.310 508 M HA 0.540 5.023 4.480 0.006 0.000 0.242 508 M C -2.133 174.022 176.300 -0.243 0.000 1.000 508 M CA -0.084 54.980 55.300 -0.393 0.000 0.970 508 M CB 1.947 34.412 32.600 -0.226 0.000 2.191 508 M HN 0.067 nan 8.290 nan 0.000 0.470 509 A N 3.809 126.477 122.820 -0.254 0.000 2.586 509 A HA 0.615 4.938 4.320 0.006 0.000 0.291 509 A C -1.663 175.893 177.584 -0.046 0.000 1.062 509 A CA -0.901 51.085 52.037 -0.085 0.000 0.666 509 A CB 1.705 20.711 19.000 0.009 0.000 1.281 509 A HN 0.818 nan 8.150 nan 0.000 0.421 510 K N 0.392 120.781 120.400 -0.019 0.000 2.098 510 K HA 0.610 4.934 4.320 0.006 0.000 0.244 510 K C -2.580 174.014 176.600 -0.010 0.000 1.014 510 K CA -1.436 54.845 56.287 -0.011 0.000 0.917 510 K CB 0.530 33.024 32.500 -0.010 0.000 1.072 510 K HN 0.280 nan 8.250 nan 0.000 0.477 511 P HA -0.003 nan 4.420 nan 0.000 0.265 511 P C 0.415 177.691 177.300 -0.040 0.000 1.193 511 P CA 1.094 64.158 63.100 -0.060 0.000 0.765 511 P CB 0.627 32.289 31.700 -0.063 0.000 0.823 512 G N 1.118 109.888 108.800 -0.049 0.000 2.349 512 G HA2 -0.230 3.733 3.960 0.006 0.000 0.213 512 G HA3 -0.230 3.733 3.960 0.006 0.000 0.213 512 G C 0.083 174.977 174.900 -0.010 0.000 1.044 512 G CA -0.077 45.008 45.100 -0.026 0.000 0.633 512 G HN 0.534 nan 8.290 nan 0.000 0.506 513 V N 2.159 122.075 119.914 0.002 0.000 2.928 513 V HA 0.377 4.501 4.120 0.006 0.000 0.307 513 V C 0.995 177.110 176.094 0.034 0.000 1.105 513 V CA 1.267 63.581 62.300 0.024 0.000 1.223 513 V CB 1.256 33.106 31.823 0.045 0.000 0.930 513 V HN 0.394 nan 8.190 nan 0.000 0.499 514 T N 5.964 120.538 114.554 0.033 0.000 2.743 514 T HA 0.517 4.870 4.350 0.006 0.000 0.292 514 T C -0.002 174.734 174.700 0.061 0.000 0.972 514 T CA -0.166 61.955 62.100 0.035 0.000 0.967 514 T CB 0.334 69.208 68.868 0.011 0.000 0.926 514 T HN 0.609 nan 8.240 nan 0.000 0.459 515 I N 1.091 121.707 120.570 0.077 0.000 2.797 515 I HA 0.679 4.852 4.170 0.006 0.000 0.310 515 I C -0.429 175.699 176.117 0.018 0.000 0.990 515 I CA -0.572 60.782 61.300 0.090 0.000 1.228 515 I CB 1.640 39.709 38.000 0.115 0.000 1.406 515 I HN 0.347 nan 8.210 nan 0.000 0.534 516 T N 5.556 120.121 114.554 0.019 0.000 3.150 516 T HA 0.491 4.845 4.350 0.006 0.000 0.383 516 T C -0.110 174.551 174.700 -0.064 0.000 1.313 516 T CA -0.186 61.899 62.100 -0.026 0.000 1.235 516 T CB -0.066 68.808 68.868 0.011 0.000 1.088 516 T HN 0.374 nan 8.240 nan 0.000 0.556 517 I N 3.283 123.752 120.570 -0.169 0.000 2.533 517 I HA 0.177 4.350 4.170 0.006 0.000 0.284 517 I C 0.148 176.196 176.117 -0.114 0.000 1.109 517 I CA 0.196 61.356 61.300 -0.234 0.000 1.412 517 I CB 0.416 38.165 38.000 -0.419 0.000 1.396 517 I HN 0.413 nan 8.210 nan 0.000 0.543 518 D N 4.905 125.255 120.400 -0.083 0.000 2.481 518 D HA 0.782 5.425 4.640 0.006 0.000 0.244 518 D C 0.172 176.367 176.300 -0.174 0.000 1.057 518 D CA -0.151 53.807 54.000 -0.069 0.000 0.848 518 D CB 2.226 42.947 40.800 -0.131 0.000 1.388 518 D HN 0.732 nan 8.370 nan 0.000 0.475 519 G N 0.624 109.268 108.800 -0.260 0.000 2.360 519 G HA2 0.304 4.267 3.960 0.006 0.000 0.276 519 G HA3 0.304 4.267 3.960 0.006 0.000 0.276 519 G C -1.382 173.157 174.900 -0.601 0.000 1.256 519 G CA -0.697 44.147 45.100 -0.427 0.000 0.890 519 G HN 0.259 nan 8.290 nan 0.000 0.486 520 R N -0.891 119.272 120.500 -0.562 0.000 2.837 520 R HA 0.666 5.010 4.340 0.006 0.000 0.271 520 R C 0.583 176.555 176.300 -0.546 0.000 0.993 520 R CA -0.117 55.714 56.100 -0.448 0.000 0.931 520 R CB 1.158 31.434 30.300 -0.040 0.000 1.206 520 R HN 2.218 nan 8.270 nan 0.000 0.474 521 G N 1.300 109.920 108.800 -0.300 0.000 2.246 521 G HA2 -0.256 3.707 3.960 0.006 0.000 0.273 521 G HA3 -0.256 3.707 3.960 0.006 0.000 0.273 521 G C 0.082 175.009 174.900 0.045 0.000 1.055 521 G CA 0.150 45.188 45.100 -0.104 0.000 0.851 521 G HN 0.435 nan 8.290 nan 0.000 0.500 522 F N 0.699 120.686 119.950 0.062 0.000 2.664 522 F HA 0.410 4.941 4.527 0.006 0.000 0.296 522 F C 1.926 178.012 175.800 0.476 0.000 1.125 522 F CA 0.642 58.723 58.000 0.135 0.000 1.444 522 F CB -0.307 38.529 39.000 -0.273 0.000 1.114 522 F HN 1.130 nan 8.300 nan 0.000 0.576 523 G N 0.009 109.085 108.800 0.460 0.000 2.733 523 G HA2 -0.172 3.791 3.960 0.006 0.000 0.686 523 G HA3 -0.172 3.791 3.960 0.006 0.000 0.686 523 G C 0.670 175.826 174.900 0.428 0.000 1.373 523 G CA -0.106 45.206 45.100 0.352 0.000 0.838 523 G HN 0.374 nan 8.290 nan 0.000 0.588 524 S N -1.175 114.656 115.700 0.218 0.000 2.562 524 S HA 0.441 4.914 4.470 0.006 0.000 0.221 524 S C 1.201 175.851 174.600 0.084 0.000 0.975 524 S CA 1.171 59.486 58.200 0.191 0.000 0.918 524 S CB 0.445 63.705 63.200 0.100 0.000 0.772 524 S HN 1.818 nan 8.310 nan 0.000 0.531 525 S N 1.535 117.192 115.700 -0.071 0.000 2.457 525 S HA 0.358 4.832 4.470 0.006 0.000 0.289 525 S C -0.250 173.868 174.600 -0.804 0.000 1.163 525 S CA -0.767 57.264 58.200 -0.283 0.000 1.078 525 S CB 0.590 63.666 63.200 -0.207 0.000 0.987 525 S HN 0.411 nan 8.310 nan 0.000 0.482 526 K N 3.014 122.966 120.400 -0.745 0.000 2.550 526 K HA 0.144 4.467 4.320 0.006 0.000 0.280 526 K C 0.780 176.658 176.600 -1.204 0.000 0.987 526 K CA 0.665 56.339 56.287 -1.021 0.000 1.048 526 K CB 0.088 32.356 32.500 -0.388 0.000 0.879 526 K HN 0.795 nan 8.250 nan 0.000 0.491 527 G N 1.530 109.244 108.800 -1.809 0.000 3.387 527 G HA2 0.335 4.299 3.960 0.006 0.000 0.194 527 G HA3 0.335 4.299 3.960 0.006 0.000 0.194 527 G C -0.935 173.690 174.900 -0.459 0.000 1.417 527 G CA -0.149 44.324 45.100 -1.045 0.000 0.777 527 G HN 0.535 nan 8.290 nan 0.000 0.721 528 T N 0.002 114.414 114.554 -0.237 0.000 3.105 528 T HA 0.479 4.832 4.350 0.006 0.000 0.321 528 T C -1.057 173.393 174.700 -0.416 0.000 1.135 528 T CA -0.304 61.622 62.100 -0.290 0.000 1.053 528 T CB 1.767 70.388 68.868 -0.412 0.000 1.133 528 T HN 0.605 nan 8.240 nan 0.000 0.463 529 V N 2.750 122.425 119.914 -0.397 0.000 2.370 529 V HA 0.535 4.658 4.120 0.006 0.000 0.279 529 V C -1.076 174.694 176.094 -0.540 0.000 1.029 529 V CA -1.000 61.007 62.300 -0.488 0.000 0.870 529 V CB 0.002 31.570 31.823 -0.425 0.000 0.984 529 V HN 0.752 nan 8.190 nan 0.000 0.451 530 Y N 3.841 123.977 120.300 -0.273 0.000 2.326 530 Y HA 0.572 5.125 4.550 0.005 0.000 0.337 530 Y C -0.115 175.583 175.900 -0.336 0.000 1.023 530 Y CA -1.325 56.658 58.100 -0.194 0.000 1.143 530 Y CB 1.097 39.503 38.460 -0.091 0.000 1.183 530 Y HN 0.569 nan 8.280 nan 0.000 0.485 531 F N 2.816 122.783 119.950 0.028 0.000 2.387 531 F HA 0.482 5.013 4.527 0.006 0.000 0.332 531 F C 1.045 176.844 175.800 -0.003 0.000 1.174 531 F CA -0.011 57.935 58.000 -0.090 0.000 1.257 531 F CB 0.444 39.273 39.000 -0.286 0.000 1.569 531 F HN 0.828 nan 8.300 nan 0.000 0.554 532 G N 1.365 110.327 108.800 0.269 0.000 4.933 532 G HA2 -0.387 3.576 3.960 0.006 0.000 0.285 532 G HA3 -0.387 3.576 3.960 0.006 0.000 0.285 532 G C 1.132 176.141 174.900 0.181 0.000 1.596 532 G CA 0.561 45.852 45.100 0.320 0.000 1.081 532 G HN 0.572 nan 8.290 nan 0.000 0.710 533 T N -2.309 112.350 114.554 0.175 0.000 2.958 533 T HA 0.436 4.789 4.350 0.006 0.000 0.256 533 T C 0.896 175.664 174.700 0.114 0.000 0.983 533 T CA 1.379 63.534 62.100 0.091 0.000 0.924 533 T CB 0.589 69.503 68.868 0.078 0.000 1.136 533 T HN 0.748 nan 8.240 nan 0.000 0.506 534 T N 3.223 117.868 114.554 0.151 0.000 2.851 534 T HA 0.690 5.043 4.350 0.006 0.000 0.298 534 T C 0.336 175.173 174.700 0.229 0.000 0.977 534 T CA -0.221 61.969 62.100 0.150 0.000 1.126 534 T CB 0.930 69.850 68.868 0.087 0.000 0.916 534 T HN 0.596 nan 8.240 nan 0.000 0.529 535 A N 3.077 126.030 122.820 0.222 0.000 2.252 535 A HA 0.776 5.099 4.320 0.006 0.000 0.305 535 A C -0.617 177.007 177.584 0.067 0.000 1.097 535 A CA -0.590 51.559 52.037 0.188 0.000 0.849 535 A CB 0.811 19.944 19.000 0.221 0.000 1.142 535 A HN 0.658 nan 8.150 nan 0.000 0.499 536 V N 1.281 121.168 119.914 -0.045 0.000 2.567 536 V HA 0.619 4.742 4.120 0.006 0.000 0.298 536 V C -0.483 175.566 176.094 -0.075 0.000 1.047 536 V CA -0.135 62.156 62.300 -0.015 0.000 0.880 536 V CB 1.268 33.129 31.823 0.062 0.000 1.009 536 V HN 1.257 nan 8.190 nan 0.000 0.429 537 S N 2.147 117.819 115.700 -0.047 0.000 2.596 537 S HA 0.987 5.460 4.470 0.006 0.000 0.270 537 S C 0.080 174.654 174.600 -0.043 0.000 1.155 537 S CA -0.038 58.123 58.200 -0.066 0.000 0.827 537 S CB 1.843 64.987 63.200 -0.094 0.000 1.130 537 S HN 2.125 nan 8.310 nan 0.000 0.467 538 G N 1.249 110.016 108.800 -0.055 0.000 2.496 538 G HA2 0.133 4.096 3.960 0.006 0.000 0.243 538 G HA3 0.133 4.096 3.960 0.006 0.000 0.243 538 G C 0.910 175.795 174.900 -0.024 0.000 1.176 538 G CA 0.319 45.393 45.100 -0.042 0.000 0.940 538 G HN 1.940 nan 8.290 nan 0.000 0.573 539 A N -0.706 122.104 122.820 -0.017 0.000 2.168 539 A HA 0.258 4.581 4.320 0.006 0.000 0.215 539 A C 1.750 179.333 177.584 -0.001 0.000 1.152 539 A CA 2.269 54.301 52.037 -0.008 0.000 0.716 539 A CB -0.297 18.698 19.000 -0.009 0.000 0.794 539 A HN 0.558 nan 8.150 nan 0.000 0.465 540 D N -0.317 120.083 120.400 -0.000 0.000 2.349 540 D HA 0.088 4.732 4.640 0.006 0.000 0.224 540 D C 0.255 176.565 176.300 0.017 0.000 1.029 540 D CA 0.503 54.507 54.000 0.006 0.000 0.879 540 D CB -0.005 40.799 40.800 0.007 0.000 0.906 540 D HN 0.459 nan 8.370 nan 0.000 0.528 541 I N 1.339 121.921 120.570 0.020 0.000 2.395 541 I HA 0.040 4.213 4.170 0.006 0.000 0.282 541 I C 1.679 177.821 176.117 0.041 0.000 1.107 541 I CA -0.136 61.189 61.300 0.040 0.000 1.210 541 I CB 0.796 38.842 38.000 0.077 0.000 1.456 541 I HN -0.157 nan 8.210 nan 0.000 0.504 542 T N 1.040 115.609 114.554 0.024 0.000 2.836 542 T HA -0.141 4.213 4.350 0.006 0.000 0.268 542 T C 0.682 175.400 174.700 0.029 0.000 1.080 542 T CA 1.479 63.590 62.100 0.018 0.000 1.128 542 T CB -0.156 68.715 68.868 0.006 0.000 0.839 542 T HN 0.671 nan 8.240 nan 0.000 0.507 543 S N -1.704 114.026 115.700 0.050 0.000 2.565 543 S HA 0.485 4.958 4.470 0.006 0.000 0.274 543 S C -2.056 172.631 174.600 0.144 0.000 1.144 543 S CA -1.107 57.138 58.200 0.074 0.000 0.849 543 S CB 1.003 64.220 63.200 0.028 0.000 1.103 543 S HN 0.485 nan 8.310 nan 0.000 0.455 544 W N 2.132 123.409 121.300 -0.039 0.000 3.089 544 W HA 0.503 5.166 4.660 0.005 0.000 0.333 544 W C -1.503 175.020 176.519 0.006 0.000 1.053 544 W CA -0.193 57.130 57.345 -0.036 0.000 1.257 544 W CB 1.445 30.870 29.460 -0.057 0.000 1.281 544 W HN 1.003 nan 8.180 nan 0.000 0.427 545 E N 1.740 121.946 120.200 0.010 0.000 2.339 545 E HA 0.076 4.430 4.350 0.006 0.000 0.262 545 E C 0.064 176.719 176.600 0.092 0.000 0.934 545 E CA -0.506 55.960 56.400 0.110 0.000 0.802 545 E CB 2.204 31.928 29.700 0.041 0.000 1.275 545 E HN 0.313 nan 8.360 nan 0.000 0.427 546 D N -0.352 120.123 120.400 0.125 0.000 2.218 546 D HA -0.131 4.512 4.640 0.006 0.000 0.204 546 D C 1.497 177.739 176.300 -0.097 0.000 0.976 546 D CA 2.030 56.080 54.000 0.085 0.000 0.853 546 D CB 0.322 41.151 40.800 0.049 0.000 0.939 546 D HN 0.477 nan 8.370 nan 0.000 0.481 547 T N -3.198 111.316 114.554 -0.067 0.000 3.042 547 T HA 0.049 4.402 4.350 0.006 0.000 0.245 547 T C 0.833 175.519 174.700 -0.023 0.000 1.029 547 T CA -0.160 61.855 62.100 -0.141 0.000 1.120 547 T CB 0.024 68.837 68.868 -0.092 0.000 0.917 547 T HN 0.298 nan 8.240 nan 0.000 0.467 548 Q N 0.133 119.954 119.800 0.035 0.000 2.315 548 Q HA 0.693 5.037 4.340 0.006 0.000 0.273 548 Q C -1.793 174.122 176.000 -0.141 0.000 1.053 548 Q CA -1.004 54.803 55.803 0.006 0.000 0.817 548 Q CB 1.812 30.524 28.738 -0.042 0.000 1.326 548 Q HN 0.379 nan 8.270 nan 0.000 0.423 549 I N 1.743 122.135 120.570 -0.297 0.000 2.648 549 I HA 0.514 4.688 4.170 0.006 0.000 0.304 549 I C -0.660 175.312 176.117 -0.240 0.000 1.009 549 I CA -1.031 60.012 61.300 -0.429 0.000 1.114 549 I CB 2.303 39.794 38.000 -0.848 0.000 1.293 549 I HN 0.602 nan 8.210 nan 0.000 0.449 550 K N 3.631 123.940 120.400 -0.151 0.000 2.640 550 K HA 0.573 4.896 4.320 0.006 0.000 0.245 550 K C -1.491 175.082 176.600 -0.046 0.000 0.962 550 K CA -0.291 55.947 56.287 -0.081 0.000 0.896 550 K CB 2.196 34.670 32.500 -0.044 0.000 1.147 550 K HN 0.343 nan 8.250 nan 0.000 0.445 551 V N 2.543 122.433 119.914 -0.041 0.000 3.103 551 V HA 0.537 4.661 4.120 0.006 0.000 0.318 551 V C -1.224 174.892 176.094 0.037 0.000 1.114 551 V CA -0.809 61.495 62.300 0.007 0.000 1.020 551 V CB 2.032 33.862 31.823 0.011 0.000 1.085 551 V HN 0.578 nan 8.190 nan 0.000 0.446 552 K N 3.375 123.799 120.400 0.041 0.000 2.185 552 K HA 0.559 4.882 4.320 0.006 0.000 0.269 552 K C -0.478 176.109 176.600 -0.022 0.000 0.987 552 K CA -0.296 56.000 56.287 0.014 0.000 0.865 552 K CB 1.350 33.849 32.500 -0.002 0.000 1.090 552 K HN 0.606 nan 8.250 nan 0.000 0.450 553 I N 6.692 127.207 120.570 -0.093 0.000 2.828 553 I HA -0.057 4.117 4.170 0.006 0.000 0.292 553 I C -1.700 174.231 176.117 -0.310 0.000 1.206 553 I CA -1.118 59.979 61.300 -0.339 0.000 1.420 553 I CB 0.052 37.931 38.000 -0.201 0.000 1.368 553 I HN 0.437 nan 8.210 nan 0.000 0.556 554 P HA 0.041 nan 4.420 nan 0.000 0.272 554 P C -0.649 176.526 177.300 -0.209 0.000 1.240 554 P CA -0.535 62.418 63.100 -0.245 0.000 0.791 554 P CB 0.609 32.177 31.700 -0.220 0.000 0.978 555 A N 1.589 124.340 122.820 -0.115 0.000 2.981 555 A HA 0.404 4.727 4.320 0.006 0.000 0.280 555 A C 0.634 178.176 177.584 -0.071 0.000 1.743 555 A CA -0.234 51.756 52.037 -0.077 0.000 1.430 555 A CB -1.599 17.376 19.000 -0.042 0.000 1.085 555 A HN 0.426 nan 8.150 nan 0.000 0.597 556 V N -1.571 118.281 119.914 -0.103 0.000 3.234 556 V HA 0.937 5.060 4.120 0.006 0.000 0.317 556 V C 0.433 176.551 176.094 0.039 0.000 1.147 556 V CA -0.750 61.514 62.300 -0.060 0.000 1.037 556 V CB 1.165 32.861 31.823 -0.212 0.000 1.148 556 V HN 0.974 nan 8.190 nan 0.000 0.455 557 A N 0.758 123.664 122.820 0.144 0.000 2.401 557 A HA 0.678 5.002 4.320 0.006 0.000 0.259 557 A C 0.831 178.554 177.584 0.231 0.000 1.103 557 A CA 0.203 52.336 52.037 0.159 0.000 0.789 557 A CB -0.235 18.852 19.000 0.144 0.000 1.035 557 A HN 2.060 nan 8.150 nan 0.000 0.491 558 G N 0.513 109.395 108.800 0.135 0.000 2.321 558 G HA2 0.557 4.521 3.960 0.006 0.000 0.237 558 G HA3 0.557 4.521 3.960 0.006 0.000 0.237 558 G C 0.491 175.452 174.900 0.101 0.000 1.282 558 G CA 0.668 45.842 45.100 0.122 0.000 0.886 558 G HN 1.997 nan 8.290 nan 0.000 0.528 559 G N 0.987 109.838 108.800 0.085 0.000 2.368 559 G HA2 0.132 4.095 3.960 0.006 0.000 0.302 559 G HA3 0.132 4.095 3.960 0.006 0.000 0.302 559 G C -0.920 173.912 174.900 -0.114 0.000 1.329 559 G CA -1.003 44.057 45.100 -0.067 0.000 0.935 559 G HN 0.792 nan 8.290 nan 0.000 0.590 560 N N -0.170 118.413 118.700 -0.195 0.000 2.458 560 N HA 0.625 5.369 4.740 0.006 0.000 0.270 560 N C -0.854 174.512 175.510 -0.239 0.000 1.102 560 N CA 0.291 53.279 53.050 -0.103 0.000 0.967 560 N CB 0.471 38.926 38.487 -0.054 0.000 1.078 560 N HN 0.441 nan 8.380 nan 0.000 0.471 561 Y N 0.546 120.978 120.300 0.220 0.000 2.698 561 Y HA 0.486 5.039 4.550 0.005 0.000 0.332 561 Y C -0.206 175.837 175.900 0.239 0.000 1.119 561 Y CA -1.072 57.174 58.100 0.244 0.000 1.109 561 Y CB 1.356 40.020 38.460 0.340 0.000 1.308 561 Y HN 0.409 nan 8.280 nan 0.000 0.499 562 N N 0.724 119.663 118.700 0.399 0.000 2.284 562 N HA 0.520 5.263 4.740 0.006 0.000 0.300 562 N C -1.442 174.153 175.510 0.141 0.000 1.047 562 N CA -0.482 52.711 53.050 0.238 0.000 0.821 562 N CB 1.562 40.146 38.487 0.161 0.000 1.337 562 N HN 0.439 nan 8.380 nan 0.000 0.482 563 I N 1.012 121.626 120.570 0.073 0.000 2.359 563 I HA 0.403 4.576 4.170 0.006 0.000 0.294 563 I C 0.202 176.281 176.117 -0.064 0.000 0.987 563 I CA -0.665 60.544 61.300 -0.150 0.000 1.225 563 I CB 1.289 39.128 38.000 -0.268 0.000 1.366 563 I HN 0.307 nan 8.210 nan 0.000 0.466 564 K N 6.306 126.640 120.400 -0.110 0.000 2.535 564 K HA 0.644 4.968 4.320 0.006 0.000 0.251 564 K C -1.714 174.860 176.600 -0.044 0.000 0.942 564 K CA -0.643 55.643 56.287 -0.002 0.000 0.798 564 K CB 2.243 34.803 32.500 0.100 0.000 1.267 564 K HN 0.462 nan 8.250 nan 0.000 0.434 565 V N 0.405 120.279 119.914 -0.067 0.000 2.850 565 V HA 0.930 5.054 4.120 0.006 0.000 0.315 565 V C -0.338 175.791 176.094 0.058 0.000 1.064 565 V CA -0.939 61.287 62.300 -0.123 0.000 0.979 565 V CB 1.408 33.020 31.823 -0.351 0.000 1.039 565 V HN 0.890 nan 8.190 nan 0.000 0.452 566 A N 2.235 125.100 122.820 0.075 0.000 2.499 566 A HA 0.660 4.984 4.320 0.006 0.000 0.280 566 A C -0.122 177.551 177.584 0.148 0.000 1.135 566 A CA -0.778 51.341 52.037 0.138 0.000 0.744 566 A CB 0.311 19.414 19.000 0.171 0.000 1.213 566 A HN 1.098 nan 8.150 nan 0.000 0.434 567 N N 1.952 120.782 118.700 0.216 0.000 2.273 567 N HA 0.156 4.899 4.740 0.006 0.000 0.227 567 N C 1.314 176.786 175.510 -0.064 0.000 1.292 567 N CA 0.374 53.534 53.050 0.183 0.000 0.875 567 N CB 0.369 38.993 38.487 0.229 0.000 1.105 567 N HN 0.742 nan 8.380 nan 0.000 0.434 568 A N 0.351 123.039 122.820 -0.220 0.000 1.971 568 A HA -0.193 4.130 4.320 0.006 0.000 0.222 568 A C 2.242 179.758 177.584 -0.113 0.000 1.182 568 A CA 2.703 54.595 52.037 -0.241 0.000 0.649 568 A CB -1.532 17.313 19.000 -0.257 0.000 0.818 568 A HN 0.959 nan 8.150 nan 0.000 0.458 569 A N -2.383 120.406 122.820 -0.052 0.000 1.933 569 A HA 0.307 4.631 4.320 0.006 0.000 0.218 569 A C 2.135 179.717 177.584 -0.003 0.000 1.175 569 A CA 2.001 54.027 52.037 -0.018 0.000 0.628 569 A CB -0.721 18.283 19.000 0.006 0.000 0.814 569 A HN 1.931 nan 8.150 nan 0.000 0.444 570 G N -3.008 105.802 108.800 0.016 0.000 2.273 570 G HA2 -0.108 3.855 3.960 0.006 0.000 0.162 570 G HA3 -0.108 3.855 3.960 0.006 0.000 0.162 570 G C 0.252 175.198 174.900 0.077 0.000 1.006 570 G CA 0.123 45.250 45.100 0.045 0.000 0.704 570 G HN 0.695 nan 8.290 nan 0.000 0.487 571 T N 1.895 116.494 114.554 0.075 0.000 2.834 571 T HA 0.566 4.920 4.350 0.006 0.000 0.298 571 T C 0.686 175.456 174.700 0.117 0.000 0.966 571 T CA 0.563 62.714 62.100 0.085 0.000 1.141 571 T CB 1.751 70.663 68.868 0.074 0.000 0.905 571 T HN 1.305 nan 8.240 nan 0.000 0.535 572 A N 3.651 126.536 122.820 0.109 0.000 2.366 572 A HA 0.567 4.890 4.320 0.006 0.000 0.272 572 A C 0.973 178.621 177.584 0.105 0.000 1.135 572 A CA -0.697 51.417 52.037 0.127 0.000 0.804 572 A CB 0.171 19.231 19.000 0.099 0.000 1.064 572 A HN 0.931 nan 8.150 nan 0.000 0.499 573 S N 2.662 118.434 115.700 0.120 0.000 2.546 573 S HA 0.256 4.729 4.470 0.006 0.000 0.265 573 S C 0.359 175.009 174.600 0.082 0.000 1.190 573 S CA -0.241 58.026 58.200 0.111 0.000 1.014 573 S CB 0.040 63.336 63.200 0.160 0.000 1.087 573 S HN 0.925 nan 8.310 nan 0.000 0.525 574 N N -0.280 118.467 118.700 0.079 0.000 2.515 574 N HA 0.295 5.038 4.740 0.006 0.000 0.279 574 N C -0.729 174.840 175.510 0.099 0.000 1.164 574 N CA -0.702 52.391 53.050 0.071 0.000 0.982 574 N CB 0.879 39.401 38.487 0.057 0.000 1.170 574 N HN 0.417 nan 8.380 nan 0.000 0.474 575 V N 1.273 121.241 119.914 0.091 0.000 2.546 575 V HA 0.100 4.224 4.120 0.006 0.000 0.284 575 V C -0.768 175.419 176.094 0.154 0.000 1.050 575 V CA -0.463 61.899 62.300 0.104 0.000 0.981 575 V CB -0.107 31.759 31.823 0.071 0.000 0.990 575 V HN 0.636 nan 8.190 nan 0.000 0.474 576 Y N 5.058 125.371 120.300 0.022 0.000 2.464 576 Y HA 0.370 4.923 4.550 0.006 0.000 0.326 576 Y C 0.310 176.248 175.900 0.063 0.000 0.969 576 Y CA -1.162 56.957 58.100 0.031 0.000 1.270 576 Y CB 0.677 39.138 38.460 0.002 0.000 1.103 576 Y HN 0.870 nan 8.280 nan 0.000 0.491 577 D N 2.503 122.855 120.400 -0.080 0.000 2.387 577 D HA 0.140 4.783 4.640 0.006 0.000 0.251 577 D C -0.101 176.204 176.300 0.007 0.000 1.141 577 D CA -0.270 53.732 54.000 0.004 0.000 0.987 577 D CB 1.174 41.965 40.800 -0.016 0.000 1.116 577 D HN 0.609 nan 8.370 nan 0.000 0.491 578 N N -1.669 117.084 118.700 0.088 0.000 2.921 578 N HA -0.204 4.540 4.740 0.006 0.000 0.248 578 N C -1.458 174.162 175.510 0.183 0.000 1.118 578 N CA 0.129 53.233 53.050 0.090 0.000 0.740 578 N CB -1.956 36.538 38.487 0.011 0.000 1.091 578 N HN 0.429 nan 8.380 nan 0.000 0.553 579 F N 1.463 121.504 119.950 0.152 0.000 2.411 579 F HA 0.407 4.938 4.527 0.006 0.000 0.350 579 F C 0.568 176.482 175.800 0.189 0.000 1.114 579 F CA -0.469 57.651 58.000 0.200 0.000 1.135 579 F CB 0.818 39.995 39.000 0.295 0.000 1.120 579 F HN 0.035 nan 8.300 nan 0.000 0.495 580 E N 5.727 125.667 120.200 -0.433 0.000 2.081 580 E HA 0.306 4.660 4.350 0.006 0.000 0.276 580 E C -1.320 175.102 176.600 -0.297 0.000 0.950 580 E CA -0.600 55.658 56.400 -0.237 0.000 0.776 580 E CB 1.278 30.873 29.700 -0.174 0.000 1.094 580 E HN 0.443 nan 8.360 nan 0.000 0.402 581 V N 6.659 126.596 119.914 0.038 0.000 2.389 581 V HA 0.164 4.288 4.120 0.006 0.000 0.264 581 V C 0.461 176.580 176.094 0.041 0.000 1.049 581 V CA -0.327 62.023 62.300 0.084 0.000 0.932 581 V CB 0.491 32.458 31.823 0.239 0.000 1.011 581 V HN 0.611 nan 8.190 nan 0.000 0.475 582 L N 3.735 124.949 121.223 -0.014 0.000 2.436 582 L HA 0.235 4.579 4.340 0.006 0.000 0.265 582 L C 1.599 178.479 176.870 0.016 0.000 1.168 582 L CA 0.006 54.843 54.840 -0.006 0.000 0.815 582 L CB 0.616 42.660 42.059 -0.026 0.000 1.109 582 L HN 0.602 nan 8.230 nan 0.000 0.462 583 S N 0.419 116.131 115.700 0.021 0.000 2.507 583 S HA 0.153 4.627 4.470 0.006 0.000 0.235 583 S C 0.626 175.233 174.600 0.012 0.000 0.988 583 S CA 0.654 58.868 58.200 0.023 0.000 0.944 583 S CB -0.159 63.056 63.200 0.026 0.000 0.762 583 S HN 0.975 nan 8.310 nan 0.000 0.526 584 G N 0.458 109.261 108.800 0.005 0.000 2.368 584 G HA2 0.119 4.082 3.960 0.006 0.000 0.269 584 G HA3 0.119 4.082 3.960 0.006 0.000 0.269 584 G C -2.207 172.689 174.900 -0.005 0.000 1.291 584 G CA -0.951 44.148 45.100 -0.000 0.000 0.903 584 G HN 0.089 nan 8.290 nan 0.000 0.483 585 D N 0.996 121.392 120.400 -0.006 0.000 2.400 585 D HA 0.322 4.966 4.640 0.006 0.000 0.238 585 D C 0.078 176.373 176.300 -0.009 0.000 1.157 585 D CA 0.513 54.505 54.000 -0.013 0.000 0.889 585 D CB 0.847 41.639 40.800 -0.012 0.000 1.199 585 D HN 0.292 nan 8.370 nan 0.000 0.436 586 Q N 0.100 119.889 119.800 -0.019 0.000 2.306 586 Q HA 0.655 4.999 4.340 0.006 0.000 0.269 586 Q C -0.302 175.698 176.000 0.000 0.000 1.053 586 Q CA -1.011 54.789 55.803 -0.006 0.000 0.879 586 Q CB 2.281 31.007 28.738 -0.019 0.000 1.344 586 Q HN 0.339 nan 8.270 nan 0.000 0.464 587 V N -2.760 117.172 119.914 0.031 0.000 3.087 587 V HA 0.593 4.717 4.120 0.006 0.000 0.306 587 V C -0.583 175.563 176.094 0.086 0.000 1.187 587 V CA -0.989 61.344 62.300 0.055 0.000 0.999 587 V CB 1.874 33.740 31.823 0.072 0.000 1.049 587 V HN 0.694 nan 8.190 nan 0.000 0.431 588 S N 1.596 117.368 115.700 0.120 0.000 2.410 588 S HA 0.700 5.173 4.470 0.006 0.000 0.304 588 S C -0.637 174.059 174.600 0.160 0.000 1.095 588 S CA -0.325 57.983 58.200 0.179 0.000 1.089 588 S CB 0.466 63.856 63.200 0.317 0.000 0.968 588 S HN 0.835 nan 8.310 nan 0.000 0.480 589 V N 6.656 126.636 119.914 0.110 0.000 2.448 589 V HA 0.495 4.618 4.120 0.006 0.000 0.295 589 V C 0.187 176.221 176.094 -0.100 0.000 1.025 589 V CA -0.982 61.289 62.300 -0.048 0.000 0.859 589 V CB 1.646 33.355 31.823 -0.189 0.000 0.988 589 V HN 0.862 nan 8.190 nan 0.000 0.431 590 R N 4.469 124.917 120.500 -0.088 0.000 2.234 590 R HA 0.449 4.793 4.340 0.006 0.000 0.324 590 R C -1.322 174.898 176.300 -0.133 0.000 1.054 590 R CA -0.182 55.939 56.100 0.035 0.000 0.912 590 R CB 0.414 30.814 30.300 0.167 0.000 1.030 590 R HN 0.450 nan 8.270 nan 0.000 0.455 591 F N 3.855 123.849 119.950 0.072 0.000 2.394 591 F HA 0.363 4.892 4.527 0.004 0.000 0.340 591 F C -0.071 175.796 175.800 0.112 0.000 1.105 591 F CA -0.413 57.613 58.000 0.043 0.000 1.124 591 F CB 1.773 40.823 39.000 0.083 0.000 1.145 591 F HN 0.165 nan 8.300 nan 0.000 0.505 592 V N 3.946 123.968 119.914 0.180 0.000 2.656 592 V HA 0.594 4.718 4.120 0.006 0.000 0.307 592 V C -0.980 175.078 176.094 -0.060 0.000 1.051 592 V CA -0.922 61.356 62.300 -0.035 0.000 0.893 592 V CB 1.971 33.594 31.823 -0.332 0.000 0.999 592 V HN 0.504 nan 8.190 nan 0.000 0.426 593 V N 4.176 123.995 119.914 -0.158 0.000 2.525 593 V HA 0.584 4.707 4.120 0.006 0.000 0.299 593 V C -0.741 175.306 176.094 -0.077 0.000 1.034 593 V CA -0.441 61.697 62.300 -0.270 0.000 0.863 593 V CB 2.041 33.374 31.823 -0.816 0.000 0.999 593 V HN 0.972 nan 8.190 nan 0.000 0.423 594 N N 3.747 122.425 118.700 -0.038 0.000 2.495 594 N HA 0.379 5.122 4.740 0.006 0.000 0.280 594 N C 0.386 175.921 175.510 0.042 0.000 1.168 594 N CA -0.127 52.925 53.050 0.004 0.000 0.978 594 N CB 0.385 38.870 38.487 -0.004 0.000 1.191 594 N HN 0.797 nan 8.380 nan 0.000 0.497 595 N N -0.865 117.828 118.700 -0.012 0.000 2.716 595 N HA -0.252 4.492 4.740 0.006 0.000 0.250 595 N C -0.973 174.476 175.510 -0.102 0.000 1.033 595 N CA 0.415 53.433 53.050 -0.054 0.000 0.727 595 N CB -0.499 37.983 38.487 -0.008 0.000 0.950 595 N HN 0.609 nan 8.380 nan 0.000 0.541 596 A N 0.835 123.587 122.820 -0.114 0.000 3.168 596 A HA 0.265 4.588 4.320 0.006 0.000 0.260 596 A C 0.772 178.248 177.584 -0.180 0.000 1.598 596 A CA -0.186 51.655 52.037 -0.327 0.000 1.285 596 A CB -0.297 18.487 19.000 -0.359 0.000 1.149 596 A HN 0.380 nan 8.150 nan 0.000 0.630 597 T N 0.132 114.571 114.554 -0.191 0.000 2.903 597 T HA 0.465 4.819 4.350 0.006 0.000 0.314 597 T C 0.506 175.239 174.700 0.055 0.000 1.078 597 T CA 0.439 62.560 62.100 0.034 0.000 1.114 597 T CB 0.819 69.668 68.868 -0.031 0.000 0.987 597 T HN 0.972 nan 8.240 nan 0.000 0.548 598 T N -2.160 112.541 114.554 0.245 0.000 2.665 598 T HA 0.751 5.104 4.350 0.006 0.000 0.303 598 T C -0.903 173.829 174.700 0.053 0.000 1.334 598 T CA -0.693 61.448 62.100 0.068 0.000 1.011 598 T CB 1.254 70.163 68.868 0.068 0.000 1.573 598 T HN 1.160 nan 8.240 nan 0.000 0.492 599 A N 0.328 123.152 122.820 0.007 0.000 2.387 599 A HA 0.838 5.162 4.320 0.006 0.000 0.303 599 A C -0.216 177.362 177.584 -0.010 0.000 1.145 599 A CA -1.248 50.787 52.037 -0.004 0.000 0.801 599 A CB 0.538 19.535 19.000 -0.005 0.000 1.342 599 A HN 1.055 nan 8.150 nan 0.000 0.440 600 L N 0.537 121.750 121.223 -0.017 0.000 2.554 600 L HA 0.290 4.634 4.340 0.006 0.000 0.293 600 L C 1.687 178.558 176.870 0.003 0.000 1.252 600 L CA 1.068 55.899 54.840 -0.015 0.000 0.862 600 L CB -0.543 41.506 42.059 -0.016 0.000 1.113 600 L HN 1.467 nan 8.230 nan 0.000 0.510 601 G N 0.772 109.580 108.800 0.013 0.000 2.322 601 G HA2 -0.374 3.590 3.960 0.006 0.000 0.264 601 G HA3 -0.374 3.590 3.960 0.006 0.000 0.264 601 G C 0.367 175.295 174.900 0.046 0.000 0.992 601 G CA 0.705 45.823 45.100 0.029 0.000 0.624 601 G HN 0.787 nan 8.290 nan 0.000 0.543 602 Q N 0.931 120.753 119.800 0.037 0.000 2.274 602 Q HA 0.523 4.867 4.340 0.006 0.000 0.256 602 Q C 0.076 176.115 176.000 0.064 0.000 0.927 602 Q CA -0.553 55.268 55.803 0.030 0.000 0.939 602 Q CB 0.297 29.029 28.738 -0.011 0.000 1.201 602 Q HN 0.585 nan 8.270 nan 0.000 0.426 603 N N 1.837 120.577 118.700 0.068 0.000 2.701 603 N HA 0.507 5.251 4.740 0.006 0.000 0.290 603 N C -1.440 173.894 175.510 -0.293 0.000 1.338 603 N CA -0.666 52.379 53.050 -0.008 0.000 0.799 603 N CB 1.931 40.498 38.487 0.133 0.000 1.491 603 N HN 0.287 nan 8.380 nan 0.000 0.540 604 V N 1.577 121.019 119.914 -0.787 0.000 2.495 604 V HA 0.461 4.584 4.120 0.006 0.000 0.298 604 V C -1.262 174.633 176.094 -0.332 0.000 1.031 604 V CA -0.486 61.457 62.300 -0.594 0.000 0.871 604 V CB 0.640 31.762 31.823 -1.167 0.000 0.988 604 V HN 0.525 nan 8.190 nan 0.000 0.432 605 Y N 3.881 124.120 120.300 -0.101 0.000 2.598 605 Y HA 0.792 5.345 4.550 0.005 0.000 0.340 605 Y C -0.285 175.624 175.900 0.015 0.000 1.038 605 Y CA -1.295 56.757 58.100 -0.080 0.000 1.100 605 Y CB 1.932 40.309 38.460 -0.139 0.000 1.281 605 Y HN 0.570 nan 8.280 nan 0.000 0.488 606 L N 0.698 121.965 121.223 0.073 0.000 2.365 606 L HA 0.870 5.214 4.340 0.006 0.000 0.273 606 L C -0.626 176.152 176.870 -0.154 0.000 1.000 606 L CA 0.052 54.791 54.840 -0.170 0.000 0.819 606 L CB 2.155 44.024 42.059 -0.317 0.000 1.284 606 L HN 0.660 nan 8.230 nan 0.000 0.418 607 T N 2.540 116.992 114.554 -0.171 0.000 2.901 607 T HA 0.949 5.303 4.350 0.006 0.000 0.293 607 T C -0.633 174.056 174.700 -0.018 0.000 1.084 607 T CA -0.071 62.004 62.100 -0.042 0.000 1.008 607 T CB 1.584 70.500 68.868 0.079 0.000 1.170 607 T HN 1.108 nan 8.240 nan 0.000 0.509 608 G N 0.068 108.887 108.800 0.032 0.000 2.600 608 G HA2 0.423 4.387 3.960 0.006 0.000 0.293 608 G HA3 0.423 4.387 3.960 0.006 0.000 0.293 608 G C 0.622 175.563 174.900 0.069 0.000 1.408 608 G CA 0.161 45.307 45.100 0.077 0.000 0.782 608 G HN 0.887 nan 8.290 nan 0.000 0.482 609 S N -1.639 114.111 115.700 0.083 0.000 2.595 609 S HA 0.133 4.606 4.470 0.006 0.000 0.235 609 S C 0.978 175.606 174.600 0.046 0.000 0.974 609 S CA 0.950 59.184 58.200 0.055 0.000 0.942 609 S CB -0.969 62.263 63.200 0.054 0.000 0.766 609 S HN 1.737 nan 8.310 nan 0.000 0.536 610 V N -1.069 118.876 119.914 0.053 0.000 2.815 610 V HA 0.703 4.826 4.120 0.006 0.000 0.314 610 V C 1.322 177.438 176.094 0.037 0.000 1.064 610 V CA -0.361 61.966 62.300 0.045 0.000 0.952 610 V CB 1.218 33.074 31.823 0.055 0.000 1.020 610 V HN 0.243 nan 8.190 nan 0.000 0.439 611 S N 1.080 116.798 115.700 0.031 0.000 2.383 611 S HA -0.217 4.256 4.470 0.006 0.000 0.229 611 S C 1.365 175.980 174.600 0.026 0.000 1.030 611 S CA 1.880 60.093 58.200 0.021 0.000 1.002 611 S CB -0.627 62.584 63.200 0.017 0.000 0.829 611 S HN 0.914 nan 8.310 nan 0.000 0.467 612 E N 0.586 120.807 120.200 0.035 0.000 2.265 612 E HA 0.088 4.441 4.350 0.006 0.000 0.196 612 E C 1.161 177.790 176.600 0.049 0.000 0.996 612 E CA 0.656 57.082 56.400 0.044 0.000 0.832 612 E CB -0.213 29.521 29.700 0.057 0.000 0.756 612 E HN 0.439 nan 8.360 nan 0.000 0.491 613 L N -1.226 120.020 121.223 0.038 0.000 2.769 613 L HA 0.330 4.673 4.340 0.006 0.000 0.240 613 L C 1.110 177.993 176.870 0.022 0.000 1.163 613 L CA 0.525 55.374 54.840 0.016 0.000 0.962 613 L CB 0.628 42.681 42.059 -0.009 0.000 1.258 613 L HN 0.197 nan 8.230 nan 0.000 0.513 614 G N -0.533 108.286 108.800 0.031 0.000 2.157 614 G HA2 -0.328 3.636 3.960 0.006 0.000 0.248 614 G HA3 -0.328 3.636 3.960 0.006 0.000 0.248 614 G C 0.684 175.604 174.900 0.034 0.000 0.979 614 G CA 0.103 45.223 45.100 0.033 0.000 0.650 614 G HN 0.266 nan 8.290 nan 0.000 0.529 615 N N -1.232 117.486 118.700 0.031 0.000 2.701 615 N HA -0.155 4.589 4.740 0.006 0.000 0.250 615 N C 1.489 177.019 175.510 0.034 0.000 1.046 615 N CA 2.537 55.603 53.050 0.027 0.000 0.733 615 N CB -1.186 37.308 38.487 0.012 0.000 0.973 615 N HN 2.286 nan 8.380 nan 0.000 0.541 616 A N -1.940 120.916 122.820 0.060 0.000 3.553 616 A HA -0.280 4.044 4.320 0.006 0.000 0.261 616 A C 0.202 177.870 177.584 0.140 0.000 1.096 616 A CA 1.334 53.425 52.037 0.090 0.000 1.308 616 A CB -1.845 17.164 19.000 0.014 0.000 1.084 616 A HN 0.591 nan 8.150 nan 0.000 0.914 617 D N -0.169 120.290 120.400 0.098 0.000 2.348 617 D HA 0.479 5.122 4.640 0.006 0.000 0.253 617 D C -1.018 175.355 176.300 0.122 0.000 1.161 617 D CA -1.061 52.998 54.000 0.099 0.000 0.876 617 D CB 0.895 41.724 40.800 0.047 0.000 1.160 617 D HN 0.185 nan 8.370 nan 0.000 0.459 618 P HA 0.020 nan 4.420 nan 0.000 0.227 618 P C 0.666 177.937 177.300 -0.048 0.000 1.161 618 P CA 0.425 63.558 63.100 0.055 0.000 0.788 618 P CB 0.237 32.011 31.700 0.123 0.000 0.822 619 A N 0.758 123.574 122.820 -0.007 0.000 2.015 619 A HA -0.118 4.206 4.320 0.006 0.000 0.219 619 A C 1.552 179.126 177.584 -0.016 0.000 1.163 619 A CA 1.221 53.242 52.037 -0.027 0.000 0.646 619 A CB -0.678 18.319 19.000 -0.004 0.000 0.806 619 A HN 0.173 nan 8.150 nan 0.000 0.448 620 K N 0.175 120.579 120.400 0.006 0.000 2.681 620 K HA 0.481 4.804 4.320 0.006 0.000 0.211 620 K C 0.122 176.745 176.600 0.038 0.000 1.075 620 K CA 0.182 56.484 56.287 0.026 0.000 1.141 620 K CB 0.267 32.782 32.500 0.026 0.000 0.896 620 K HN 0.339 nan 8.250 nan 0.000 0.470 621 A N 1.447 124.278 122.820 0.019 0.000 2.386 621 A HA 0.364 4.687 4.320 0.006 0.000 0.248 621 A C 0.251 177.925 177.584 0.150 0.000 1.082 621 A CA -0.439 51.627 52.037 0.048 0.000 0.789 621 A CB 0.162 19.137 19.000 -0.041 0.000 1.025 621 A HN 0.339 nan 8.150 nan 0.000 0.490 622 I N 1.526 122.167 120.570 0.119 0.000 2.395 622 I HA 0.549 4.722 4.170 0.006 0.000 0.289 622 I C 1.009 177.073 176.117 -0.087 0.000 1.023 622 I CA 0.891 62.244 61.300 0.088 0.000 1.350 622 I CB 0.646 38.700 38.000 0.090 0.000 1.409 622 I HN 1.043 nan 8.210 nan 0.000 0.507 623 G N 6.983 115.592 108.800 -0.319 0.000 2.280 623 G HA2 -0.047 3.916 3.960 0.006 0.000 0.277 623 G HA3 -0.047 3.916 3.960 0.006 0.000 0.277 623 G C -3.044 171.530 174.900 -0.542 0.000 1.288 623 G CA -1.043 43.537 45.100 -0.867 0.000 1.075 623 G HN 0.462 nan 8.290 nan 0.000 0.480 624 P HA 0.302 nan 4.420 nan 0.000 0.266 624 P C 0.354 177.225 177.300 -0.714 0.000 1.195 624 P CA 0.224 62.725 63.100 -0.998 0.000 0.768 624 P CB 0.265 31.691 31.700 -0.456 0.000 0.838 625 M N 2.063 121.352 119.600 -0.519 0.000 2.226 625 M HA 0.129 4.612 4.480 0.006 0.000 0.324 625 M C 0.357 176.648 176.300 -0.014 0.000 1.112 625 M CA 0.223 55.314 55.300 -0.348 0.000 1.176 625 M CB -0.023 32.640 32.600 0.105 0.000 1.430 625 M HN 0.273 nan 8.290 nan 0.000 0.462 626 Y N 1.558 121.712 120.300 -0.244 0.000 2.326 626 Y HA 0.209 4.762 4.550 0.006 0.000 0.324 626 Y C 0.803 176.372 175.900 -0.552 0.000 1.291 626 Y CA -1.173 56.627 58.100 -0.499 0.000 1.348 626 Y CB 0.391 38.369 38.460 -0.805 0.000 1.294 626 Y HN 0.722 nan 8.280 nan 0.000 0.525 627 N N -1.574 116.986 118.700 -0.234 0.000 2.194 627 N HA 0.030 4.773 4.740 0.006 0.000 0.233 627 N C -0.456 175.030 175.510 -0.041 0.000 1.392 627 N CA -0.065 52.872 53.050 -0.188 0.000 0.790 627 N CB -0.429 37.498 38.487 -0.935 0.000 1.291 627 N HN 0.658 nan 8.380 nan 0.000 0.518 628 Q N -0.646 119.181 119.800 0.046 0.000 2.619 628 Q HA 0.334 4.677 4.340 0.006 0.000 0.230 628 Q C 1.245 177.242 176.000 -0.005 0.000 0.871 628 Q CA 0.390 56.184 55.803 -0.015 0.000 0.934 628 Q CB 0.414 29.100 28.738 -0.086 0.000 1.183 628 Q HN 0.024 nan 8.270 nan 0.000 0.631 629 V N 1.005 120.929 119.914 0.016 0.000 2.320 629 V HA -0.128 3.995 4.120 0.006 0.000 0.219 629 V C 2.196 178.150 176.094 -0.233 0.000 1.055 629 V CA 0.999 63.252 62.300 -0.078 0.000 1.054 629 V CB -0.982 30.806 31.823 -0.058 0.000 0.671 629 V HN 0.159 nan 8.190 nan 0.000 0.474 630 V N -1.193 118.446 119.914 -0.459 0.000 2.250 630 V HA -0.240 3.884 4.120 0.006 0.000 0.253 630 V C 0.975 176.456 176.094 -1.021 0.000 1.065 630 V CA 1.989 63.762 62.300 -0.879 0.000 1.039 630 V CB -0.733 30.308 31.823 -1.303 0.000 0.647 630 V HN 0.540 nan 8.190 nan 0.000 0.446 631 Y N -1.713 118.133 120.300 -0.756 0.000 2.562 631 Y HA 0.666 5.220 4.550 0.007 0.000 0.343 631 Y C -0.055 175.788 175.900 -0.095 0.000 1.025 631 Y CA -1.207 56.687 58.100 -0.343 0.000 1.082 631 Y CB 1.540 39.838 38.460 -0.269 0.000 1.264 631 Y HN 0.073 nan 8.280 nan 0.000 0.478 632 Q N 0.621 120.488 119.800 0.113 0.000 2.353 632 Q HA 0.307 4.650 4.340 0.006 0.000 0.268 632 Q C -1.440 174.591 176.000 0.051 0.000 1.045 632 Q CA -0.925 54.913 55.803 0.058 0.000 0.811 632 Q CB 1.852 30.601 28.738 0.018 0.000 1.305 632 Q HN 0.573 nan 8.270 nan 0.000 0.447 633 Y N 4.117 124.337 120.300 -0.133 0.000 2.683 633 Y HA 0.091 4.644 4.550 0.006 0.000 0.340 633 Y C -1.249 174.633 175.900 -0.030 0.000 1.245 633 Y CA -1.120 56.887 58.100 -0.155 0.000 1.485 633 Y CB 0.663 38.964 38.460 -0.264 0.000 1.328 633 Y HN 0.597 nan 8.280 nan 0.000 0.603 634 P HA -0.057 nan 4.420 nan 0.000 0.244 634 P C -0.946 176.318 177.300 -0.059 0.000 1.211 634 P CA 0.614 63.144 63.100 -0.950 0.000 0.760 634 P CB -0.046 31.180 31.700 -0.789 0.000 0.961 635 N N 0.755 119.452 118.700 -0.005 0.000 2.422 635 N HA 0.083 4.826 4.740 0.006 0.000 0.264 635 N C -0.540 175.093 175.510 0.204 0.000 1.063 635 N CA 0.033 53.152 53.050 0.116 0.000 0.959 635 N CB 0.444 38.961 38.487 0.051 0.000 1.087 635 N HN 0.047 nan 8.380 nan 0.000 0.483 636 W N 2.631 123.957 121.300 0.043 0.000 2.570 636 W HA 0.401 5.065 4.660 0.006 0.000 0.337 636 W C 0.121 176.745 176.519 0.175 0.000 1.067 636 W CA -0.613 56.803 57.345 0.119 0.000 1.229 636 W CB 0.414 29.884 29.460 0.017 0.000 1.355 636 W HN 0.389 nan 8.180 nan 0.000 0.555 637 Y N -0.058 120.411 120.300 0.281 0.000 2.615 637 Y HA 0.800 5.354 4.550 0.005 0.000 0.341 637 Y C -1.898 174.235 175.900 0.388 0.000 1.089 637 Y CA -2.721 55.537 58.100 0.264 0.000 1.049 637 Y CB 1.499 40.124 38.460 0.275 0.000 1.296 637 Y HN 0.441 nan 8.280 nan 0.000 0.470 638 Y N 0.437 120.869 120.300 0.219 0.000 2.522 638 Y HA 0.329 4.882 4.550 0.005 0.000 0.326 638 Y C -1.987 174.069 175.900 0.259 0.000 1.198 638 Y CA -1.640 56.504 58.100 0.074 0.000 1.112 638 Y CB 1.671 40.122 38.460 -0.015 0.000 1.342 638 Y HN 0.800 nan 8.280 nan 0.000 0.460 639 D N 3.656 123.993 120.400 -0.105 0.000 2.274 639 D HA 0.585 5.228 4.640 0.006 0.000 0.239 639 D C -0.948 175.373 176.300 0.035 0.000 1.104 639 D CA 0.096 54.141 54.000 0.075 0.000 0.840 639 D CB 1.920 42.819 40.800 0.165 0.000 1.100 639 D HN 0.205 nan 8.370 nan 0.000 0.477 640 V N 1.341 121.396 119.914 0.235 0.000 2.656 640 V HA 0.289 4.413 4.120 0.006 0.000 0.307 640 V C 0.180 176.414 176.094 0.233 0.000 1.051 640 V CA -0.944 61.505 62.300 0.248 0.000 0.893 640 V CB 2.109 34.132 31.823 0.334 0.000 0.999 640 V HN 0.516 nan 8.190 nan 0.000 0.426 641 S N 4.274 120.074 115.700 0.165 0.000 2.455 641 S HA 0.570 5.043 4.470 0.006 0.000 0.278 641 S C -0.424 174.256 174.600 0.134 0.000 1.216 641 S CA -0.406 57.867 58.200 0.121 0.000 1.055 641 S CB 0.140 63.377 63.200 0.063 0.000 0.939 641 S HN 0.734 nan 8.310 nan 0.000 0.494 642 V N 3.635 123.636 119.914 0.146 0.000 3.046 642 V HA 0.703 4.826 4.120 0.006 0.000 0.316 642 V C -2.744 173.405 176.094 0.091 0.000 1.104 642 V CA -2.995 59.394 62.300 0.148 0.000 1.006 642 V CB 1.165 33.137 31.823 0.248 0.000 1.058 642 V HN 0.598 nan 8.190 nan 0.000 0.440 643 P HA 0.292 nan 4.420 nan 0.000 0.268 643 P C -0.368 176.948 177.300 0.026 0.000 1.204 643 P CA 0.356 63.477 63.100 0.035 0.000 0.768 643 P CB 0.364 32.078 31.700 0.024 0.000 0.842 644 A N 3.274 126.104 122.820 0.017 0.000 2.371 644 A HA 0.516 4.839 4.320 0.006 0.000 0.257 644 A C 1.290 178.872 177.584 -0.005 0.000 1.089 644 A CA 0.226 52.270 52.037 0.013 0.000 0.794 644 A CB -0.888 18.120 19.000 0.013 0.000 1.029 644 A HN 0.831 nan 8.150 nan 0.000 0.488 645 G N 1.309 110.101 108.800 -0.012 0.000 2.323 645 G HA2 -0.204 3.760 3.960 0.006 0.000 0.292 645 G HA3 -0.204 3.760 3.960 0.006 0.000 0.292 645 G C -0.033 174.841 174.900 -0.044 0.000 1.040 645 G CA 0.813 45.898 45.100 -0.024 0.000 0.942 645 G HN 0.758 nan 8.290 nan 0.000 0.506 646 K N -0.132 120.221 120.400 -0.078 0.000 2.427 646 K HA 0.444 4.768 4.320 0.006 0.000 0.252 646 K C -0.305 176.191 176.600 -0.173 0.000 0.931 646 K CA -0.737 55.496 56.287 -0.090 0.000 0.793 646 K CB 1.851 34.318 32.500 -0.056 0.000 1.211 646 K HN 0.059 nan 8.250 nan 0.000 0.426 647 T N 3.628 118.106 114.554 -0.128 0.000 2.727 647 T HA 0.310 4.664 4.350 0.006 0.000 0.295 647 T C 0.386 175.020 174.700 -0.109 0.000 0.915 647 T CA -0.076 61.936 62.100 -0.147 0.000 1.066 647 T CB -0.194 68.635 68.868 -0.065 0.000 0.891 647 T HN 0.287 nan 8.240 nan 0.000 0.516 648 I N 3.227 123.696 120.570 -0.168 0.000 2.441 648 I HA 0.364 4.537 4.170 0.006 0.000 0.295 648 I C 0.430 176.714 176.117 0.278 0.000 0.994 648 I CA -0.791 60.537 61.300 0.047 0.000 1.144 648 I CB 1.821 39.877 38.000 0.093 0.000 1.314 648 I HN 0.459 nan 8.210 nan 0.000 0.445 649 E N 6.168 126.515 120.200 0.244 0.000 2.113 649 E HA 0.456 4.809 4.350 0.006 0.000 0.273 649 E C -1.326 175.446 176.600 0.286 0.000 0.924 649 E CA -0.506 56.029 56.400 0.225 0.000 0.764 649 E CB 1.626 31.372 29.700 0.077 0.000 1.104 649 E HN 0.406 nan 8.360 nan 0.000 0.406 650 F N 0.969 120.973 119.950 0.090 0.000 2.620 650 F HA 0.718 5.249 4.527 0.007 0.000 0.320 650 F C -0.853 174.913 175.800 -0.057 0.000 1.069 650 F CA -1.393 56.588 58.000 -0.032 0.000 0.953 650 F CB 1.357 40.275 39.000 -0.138 0.000 1.322 650 F HN 0.151 nan 8.300 nan 0.000 0.479 651 K N 1.637 121.981 120.400 -0.093 0.000 2.543 651 K HA 0.523 4.847 4.320 0.006 0.000 0.255 651 K C -2.300 174.180 176.600 -0.199 0.000 0.934 651 K CA -0.508 55.697 56.287 -0.138 0.000 0.810 651 K CB 1.584 34.077 32.500 -0.011 0.000 1.315 651 K HN 0.638 nan 8.250 nan 0.000 0.433 652 F N 3.285 123.160 119.950 -0.125 0.000 2.370 652 F HA 0.514 5.043 4.527 0.004 0.000 0.324 652 F C 0.117 175.766 175.800 -0.251 0.000 1.116 652 F CA -0.623 57.271 58.000 -0.178 0.000 1.123 652 F CB 1.053 39.945 39.000 -0.180 0.000 1.238 652 F HN 0.457 nan 8.300 nan 0.000 0.536 653 L N -0.504 120.804 121.223 0.142 0.000 2.409 653 L HA 0.768 5.112 4.340 0.006 0.000 0.255 653 L C -1.691 175.286 176.870 0.178 0.000 1.027 653 L CA -1.327 53.507 54.840 -0.010 0.000 0.834 653 L CB 2.066 43.658 42.059 -0.779 0.000 1.426 653 L HN 0.463 nan 8.230 nan 0.000 0.411 654 K N 0.826 121.251 120.400 0.040 0.000 2.324 654 K HA 0.760 5.084 4.320 0.006 0.000 0.253 654 K C -1.424 175.111 176.600 -0.110 0.000 0.932 654 K CA -0.844 55.413 56.287 -0.050 0.000 0.799 654 K CB 2.313 34.719 32.500 -0.156 0.000 1.154 654 K HN 0.613 nan 8.250 nan 0.000 0.425 655 K N 2.253 122.613 120.400 -0.066 0.000 2.427 655 K HA 0.277 4.601 4.320 0.006 0.000 0.252 655 K C -1.257 175.327 176.600 -0.026 0.000 0.931 655 K CA -1.024 55.194 56.287 -0.115 0.000 0.793 655 K CB 2.326 34.644 32.500 -0.305 0.000 1.211 655 K HN 0.653 nan 8.250 nan 0.000 0.426 656 Q N 1.260 121.037 119.800 -0.038 0.000 2.350 656 Q HA 0.485 4.828 4.340 0.006 0.000 0.255 656 Q C 0.016 176.006 176.000 -0.017 0.000 0.951 656 Q CA -0.451 55.346 55.803 -0.010 0.000 0.751 656 Q CB 1.610 30.343 28.738 -0.009 0.000 1.296 656 Q HN 0.840 nan 8.270 nan 0.000 0.453 657 G N 2.493 111.288 108.800 -0.009 0.000 2.509 657 G HA2 -0.355 3.608 3.960 0.006 0.000 0.259 657 G HA3 -0.355 3.608 3.960 0.006 0.000 0.259 657 G C 0.379 175.261 174.900 -0.030 0.000 1.169 657 G CA 0.139 45.232 45.100 -0.012 0.000 0.953 657 G HN 1.223 nan 8.290 nan 0.000 0.563 658 S N -0.345 115.338 115.700 -0.029 0.000 2.572 658 S HA 0.445 4.919 4.470 0.006 0.000 0.228 658 S C 0.585 175.159 174.600 -0.042 0.000 0.963 658 S CA 1.020 59.197 58.200 -0.039 0.000 0.939 658 S CB 0.556 63.742 63.200 -0.023 0.000 0.804 658 S HN 0.911 nan 8.310 nan 0.000 0.480 659 T N 3.354 117.884 114.554 -0.040 0.000 2.771 659 T HA 0.506 4.859 4.350 0.006 0.000 0.291 659 T C -0.135 174.528 174.700 -0.062 0.000 0.954 659 T CA -0.491 61.590 62.100 -0.031 0.000 1.045 659 T CB 1.324 70.184 68.868 -0.013 0.000 0.917 659 T HN 0.188 nan 8.240 nan 0.000 0.484 660 V N 2.684 122.565 119.914 -0.055 0.000 2.417 660 V HA 0.549 4.672 4.120 0.006 0.000 0.291 660 V C 0.206 176.265 176.094 -0.058 0.000 1.024 660 V CA -0.935 61.286 62.300 -0.131 0.000 0.861 660 V CB 1.241 32.937 31.823 -0.212 0.000 0.985 660 V HN 0.882 nan 8.190 nan 0.000 0.436 661 T N 4.178 118.680 114.554 -0.086 0.000 2.788 661 T HA 0.423 4.777 4.350 0.006 0.000 0.296 661 T C -0.524 174.211 174.700 0.059 0.000 1.009 661 T CA -0.166 61.964 62.100 0.051 0.000 0.949 661 T CB 0.396 69.303 68.868 0.065 0.000 0.946 661 T HN 0.649 nan 8.240 nan 0.000 0.453 662 W N 1.804 123.174 121.300 0.116 0.000 2.215 662 W HA 0.361 5.024 4.660 0.005 0.000 0.342 662 W C 1.037 177.629 176.519 0.121 0.000 1.237 662 W CA -0.773 56.630 57.345 0.096 0.000 1.283 662 W CB 0.437 29.906 29.460 0.014 0.000 1.131 662 W HN 0.591 nan 8.180 nan 0.000 0.606 663 E N 0.470 120.799 120.200 0.215 0.000 2.404 663 E HA 0.298 4.652 4.350 0.006 0.000 0.261 663 E C 0.434 177.029 176.600 -0.008 0.000 1.074 663 E CA -0.095 56.219 56.400 -0.145 0.000 0.917 663 E CB 0.534 29.909 29.700 -0.541 0.000 0.965 663 E HN 0.583 nan 8.360 nan 0.000 0.433 664 G N 0.994 109.772 108.800 -0.036 0.000 2.451 664 G HA2 0.553 4.516 3.960 0.006 0.000 0.303 664 G HA3 0.553 4.516 3.960 0.006 0.000 0.303 664 G C 0.049 174.892 174.900 -0.095 0.000 1.166 664 G CA 0.081 45.175 45.100 -0.009 0.000 0.884 664 G HN 0.831 nan 8.290 nan 0.000 0.514 665 G N -0.323 108.429 108.800 -0.081 0.000 2.725 665 G HA2 0.217 4.181 3.960 0.006 0.000 0.220 665 G HA3 0.217 4.181 3.960 0.006 0.000 0.220 665 G C 0.298 175.105 174.900 -0.155 0.000 1.357 665 G CA 0.097 45.129 45.100 -0.114 0.000 0.866 665 G HN 1.926 nan 8.290 nan 0.000 0.548 666 S N 0.254 115.853 115.700 -0.168 0.000 2.632 666 S HA 0.566 5.040 4.470 0.006 0.000 0.267 666 S C 0.485 174.922 174.600 -0.271 0.000 1.276 666 S CA -0.509 57.584 58.200 -0.177 0.000 0.998 666 S CB 0.987 64.109 63.200 -0.130 0.000 0.953 666 S HN 0.884 nan 8.310 nan 0.000 0.547 667 N N 1.931 120.489 118.700 -0.236 0.000 2.407 667 N HA 0.030 4.774 4.740 0.006 0.000 0.250 667 N C -0.033 175.262 175.510 -0.359 0.000 1.236 667 N CA 0.365 53.237 53.050 -0.296 0.000 0.879 667 N CB -0.095 38.294 38.487 -0.164 0.000 1.088 667 N HN 0.625 nan 8.380 nan 0.000 0.450 668 H N 0.625 119.412 119.070 -0.472 0.000 2.629 668 H HA 0.259 4.818 4.556 0.005 0.000 0.357 668 H C 0.141 175.252 175.328 -0.362 0.000 1.121 668 H CA 0.406 56.147 56.048 -0.512 0.000 1.406 668 H CB 0.818 29.998 29.762 -0.970 0.000 1.456 668 H HN 0.352 nan 8.280 nan 0.000 0.579 669 T N 3.187 117.816 114.554 0.124 0.000 2.906 669 T HA 0.496 4.849 4.350 0.006 0.000 0.295 669 T C -0.799 174.206 174.700 0.508 0.000 1.061 669 T CA -0.721 61.559 62.100 0.300 0.000 1.000 669 T CB 1.440 70.395 68.868 0.144 0.000 1.103 669 T HN 0.540 nan 8.240 nan 0.000 0.486 670 F N -1.032 119.104 119.950 0.310 0.000 2.773 670 F HA 0.716 5.245 4.527 0.004 0.000 0.314 670 F C -1.597 174.300 175.800 0.162 0.000 1.160 670 F CA -0.816 57.326 58.000 0.236 0.000 0.920 670 F CB 1.140 40.309 39.000 0.282 0.000 1.323 670 F HN 0.405 nan 8.300 nan 0.000 0.457 671 T N 2.889 117.262 114.554 -0.302 0.000 2.864 671 T HA 0.722 5.075 4.350 0.006 0.000 0.310 671 T C 0.047 174.538 174.700 -0.348 0.000 1.040 671 T CA -0.073 61.759 62.100 -0.447 0.000 0.977 671 T CB 0.598 69.382 68.868 -0.140 0.000 0.976 671 T HN 0.972 nan 8.240 nan 0.000 0.459 672 A N 5.887 128.337 122.820 -0.616 0.000 2.567 672 A HA 0.422 4.745 4.320 0.006 0.000 0.236 672 A C -2.306 175.292 177.584 0.023 0.000 1.088 672 A CA -0.539 51.465 52.037 -0.054 0.000 0.776 672 A CB -0.293 18.685 19.000 -0.038 0.000 1.033 672 A HN 0.452 nan 8.150 nan 0.000 0.513 673 P HA 0.341 nan 4.420 nan 0.000 0.286 673 P C 0.136 177.461 177.300 0.041 0.000 1.261 673 P CA -0.344 62.794 63.100 0.064 0.000 0.821 673 P CB 1.487 33.236 31.700 0.081 0.000 1.013 674 S N -0.443 115.275 115.700 0.029 0.000 2.603 674 S HA 0.127 4.600 4.470 0.006 0.000 0.220 674 S C 0.477 175.091 174.600 0.024 0.000 0.967 674 S CA 0.245 58.457 58.200 0.020 0.000 0.920 674 S CB -0.591 62.617 63.200 0.013 0.000 0.773 674 S HN 0.670 nan 8.310 nan 0.000 0.529 675 S N -0.804 114.917 115.700 0.036 0.000 2.578 675 S HA 0.610 5.084 4.470 0.006 0.000 0.285 675 S C -0.221 174.414 174.600 0.058 0.000 1.126 675 S CA -0.434 57.790 58.200 0.040 0.000 0.878 675 S CB 0.686 63.905 63.200 0.032 0.000 1.091 675 S HN 1.003 nan 8.310 nan 0.000 0.450 676 G N 1.779 110.623 108.800 0.073 0.000 2.693 676 G HA2 0.211 4.175 3.960 0.006 0.000 0.226 676 G HA3 0.211 4.175 3.960 0.006 0.000 0.226 676 G C 0.058 175.024 174.900 0.111 0.000 1.354 676 G CA 0.356 45.514 45.100 0.097 0.000 0.873 676 G HN 2.321 nan 8.290 nan 0.000 0.562 677 T N -2.153 112.475 114.554 0.122 0.000 2.833 677 T HA 0.958 5.311 4.350 0.006 0.000 0.292 677 T C 0.412 175.162 174.700 0.082 0.000 1.031 677 T CA 0.739 62.914 62.100 0.124 0.000 0.937 677 T CB 1.655 70.607 68.868 0.141 0.000 1.256 677 T HN 2.694 nan 8.240 nan 0.000 0.551 678 A N -0.282 122.570 122.820 0.053 0.000 2.586 678 A HA 0.587 4.910 4.320 0.006 0.000 0.296 678 A C -0.529 177.010 177.584 -0.075 0.000 1.040 678 A CA -0.911 51.131 52.037 0.009 0.000 0.701 678 A CB 0.837 19.860 19.000 0.038 0.000 1.277 678 A HN 0.908 nan 8.150 nan 0.000 0.413 679 T N 1.201 115.699 114.554 -0.094 0.000 2.863 679 T HA 0.693 5.046 4.350 0.006 0.000 0.285 679 T C -0.721 173.834 174.700 -0.243 0.000 1.009 679 T CA -0.130 61.881 62.100 -0.148 0.000 0.989 679 T CB 0.872 69.725 68.868 -0.025 0.000 1.004 679 T HN 0.523 nan 8.240 nan 0.000 0.455 680 I N 3.406 123.754 120.570 -0.370 0.000 2.466 680 I HA 0.338 4.512 4.170 0.006 0.000 0.279 680 I C -0.216 175.813 176.117 -0.148 0.000 1.033 680 I CA -0.670 60.416 61.300 -0.356 0.000 1.123 680 I CB 1.154 38.695 38.000 -0.765 0.000 1.237 680 I HN 0.348 nan 8.210 nan 0.000 0.460 681 N N 6.544 125.198 118.700 -0.077 0.000 2.457 681 N HA 0.528 5.271 4.740 0.006 0.000 0.250 681 N C -0.756 174.741 175.510 -0.022 0.000 0.982 681 N CA -0.130 52.884 53.050 -0.061 0.000 0.941 681 N CB 1.578 40.023 38.487 -0.069 0.000 1.120 681 N HN 0.422 nan 8.380 nan 0.000 0.505 682 V N 1.198 121.099 119.914 -0.022 0.000 3.164 682 V HA 0.722 4.845 4.120 0.006 0.000 0.313 682 V C -0.407 175.645 176.094 -0.070 0.000 1.188 682 V CA -1.215 61.042 62.300 -0.072 0.000 1.058 682 V CB 1.776 33.441 31.823 -0.264 0.000 1.110 682 V HN 0.638 nan 8.190 nan 0.000 0.453 683 N N -0.882 117.804 118.700 -0.024 0.000 2.335 683 N HA 0.387 5.131 4.740 0.006 0.000 0.304 683 N C -0.924 174.687 175.510 0.168 0.000 1.135 683 N CA -0.735 52.355 53.050 0.067 0.000 0.817 683 N CB 1.473 40.014 38.487 0.090 0.000 1.294 683 N HN 0.972 nan 8.380 nan 0.000 0.497 684 W N 1.714 123.021 121.300 0.011 0.000 2.381 684 W HA 0.080 4.745 4.660 0.009 0.000 0.321 684 W C -0.828 175.749 176.519 0.097 0.000 1.407 684 W CA 0.065 57.445 57.345 0.058 0.000 1.274 684 W CB 0.374 29.820 29.460 -0.022 0.000 1.310 684 W HN 0.546 nan 8.180 nan 0.000 0.551 685 Q N 7.837 127.579 119.800 -0.096 0.000 2.322 685 Q HA 0.176 4.519 4.340 0.006 0.000 0.256 685 Q C -1.759 174.265 176.000 0.041 0.000 0.960 685 Q CA -1.672 54.111 55.803 -0.033 0.000 0.934 685 Q CB 1.029 29.666 28.738 -0.169 0.000 1.200 685 Q HN 0.190 nan 8.270 nan 0.000 0.435 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.244 63.100 0.240 0.000 0.800 686 P CB 0.000 31.801 31.700 0.169 0.000 0.726