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 2dij_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 YKNLFDLADL 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 SELGNWDPAK 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 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 2 P HA 0.319 nan 4.420 nan 0.000 0.282 2 P C -0.089 177.176 177.300 -0.058 0.000 1.259 2 P CA -0.045 63.029 63.100 -0.044 0.000 0.826 2 P CB 0.627 32.298 31.700 -0.049 0.000 1.064 3 D N 0.094 120.464 120.400 -0.049 0.000 2.254 3 D HA -0.202 4.438 4.640 -0.000 0.000 0.201 3 D C 0.985 177.229 176.300 -0.093 0.000 0.998 3 D CA 2.205 56.177 54.000 -0.048 0.000 0.885 3 D CB -1.409 39.395 40.800 0.007 0.000 0.915 3 D HN 0.459 nan 8.370 nan 0.000 0.460 4 T N -3.042 111.449 114.554 -0.107 0.000 3.100 4 T HA 0.056 4.406 4.350 -0.000 0.000 0.253 4 T C 1.106 175.713 174.700 -0.155 0.000 1.118 4 T CA 0.121 62.133 62.100 -0.146 0.000 1.058 4 T CB -0.149 68.636 68.868 -0.138 0.000 0.953 4 T HN 0.196 nan 8.240 nan 0.000 0.515 5 S N 0.429 116.050 115.700 -0.133 0.000 2.569 5 S HA 0.088 4.558 4.470 -0.000 0.000 0.274 5 S C 1.432 175.924 174.600 -0.180 0.000 1.353 5 S CA -0.170 57.949 58.200 -0.135 0.000 1.023 5 S CB 1.035 64.170 63.200 -0.108 0.000 0.876 5 S HN 0.232 nan 8.310 nan 0.000 0.540 6 V N 3.540 123.347 119.914 -0.179 0.000 2.970 6 V HA -0.017 4.103 4.120 -0.000 0.000 0.260 6 V C 2.132 178.069 176.094 -0.261 0.000 1.100 6 V CA 2.185 64.351 62.300 -0.222 0.000 1.122 6 V CB -0.748 30.962 31.823 -0.188 0.000 0.721 6 V HN 1.011 nan 8.190 nan 0.000 0.483 7 S N -0.087 115.487 115.700 -0.209 0.000 2.522 7 S HA 0.016 4.486 4.470 -0.000 0.000 0.227 7 S C 1.128 175.645 174.600 -0.139 0.000 0.986 7 S CA 0.368 58.457 58.200 -0.186 0.000 0.929 7 S CB -0.622 62.497 63.200 -0.134 0.000 0.769 7 S HN 0.588 nan 8.310 nan 0.000 0.529 8 N N 2.508 121.115 118.700 -0.155 0.000 2.605 8 N HA 0.187 4.927 4.740 -0.000 0.000 0.258 8 N C 0.238 175.682 175.510 -0.111 0.000 1.156 8 N CA -0.037 52.940 53.050 -0.122 0.000 1.008 8 N CB 0.302 38.704 38.487 -0.142 0.000 1.354 8 N HN 0.430 nan 8.380 nan 0.000 0.509 9 K N 1.468 121.873 120.400 0.008 0.000 2.525 9 K HA -0.008 4.312 4.320 -0.000 0.000 0.192 9 K C 0.571 177.359 176.600 0.314 0.000 1.029 9 K CA 0.541 56.933 56.287 0.176 0.000 1.029 9 K CB 0.463 33.070 32.500 0.179 0.000 0.814 9 K HN 0.361 nan 8.250 nan 0.000 0.503 10 Q N 0.152 120.073 119.800 0.202 0.000 2.319 10 Q HA 0.108 4.448 4.340 -0.000 0.000 0.209 10 Q C -0.453 175.708 176.000 0.268 0.000 0.884 10 Q CA 0.226 56.199 55.803 0.282 0.000 0.938 10 Q CB 0.567 29.430 28.738 0.209 0.000 1.098 10 Q HN 0.077 nan 8.270 nan 0.000 0.517 11 N N -0.732 117.991 118.700 0.037 0.000 2.454 11 N HA 0.186 4.926 4.740 -0.000 0.000 0.291 11 N C -1.272 174.022 175.510 -0.360 0.000 1.079 11 N CA -0.258 52.625 53.050 -0.278 0.000 0.893 11 N CB 0.531 38.774 38.487 -0.407 0.000 1.512 11 N HN -0.142 nan 8.380 nan 0.000 0.497 12 F N 1.019 120.518 119.950 -0.751 0.000 2.682 12 F HA 0.290 4.817 4.527 -0.000 0.000 0.308 12 F C 2.006 177.511 175.800 -0.492 0.000 1.093 12 F CA -0.075 57.544 58.000 -0.635 0.000 1.244 12 F CB 0.328 38.809 39.000 -0.864 0.000 1.052 12 F HN 0.434 nan 8.300 nan 0.000 0.573 13 S N -0.354 115.143 115.700 -0.338 0.000 2.440 13 S HA -0.207 4.263 4.470 -0.000 0.000 0.240 13 S C 2.157 176.566 174.600 -0.320 0.000 1.014 13 S CA 1.996 60.036 58.200 -0.268 0.000 0.980 13 S CB -0.586 62.524 63.200 -0.150 0.000 0.775 13 S HN 0.559 nan 8.310 nan 0.000 0.499 14 T N -1.077 113.273 114.554 -0.339 0.000 3.086 14 T HA 0.158 4.508 4.350 -0.000 0.000 0.250 14 T C 0.175 174.718 174.700 -0.262 0.000 1.074 14 T CA -0.322 61.575 62.100 -0.338 0.000 0.988 14 T CB 0.076 68.739 68.868 -0.342 0.000 0.988 14 T HN 0.103 nan 8.240 nan 0.000 0.530 15 D N 0.810 121.066 120.400 -0.241 0.000 2.478 15 D HA 0.533 5.173 4.640 -0.000 0.000 0.263 15 D C -0.823 175.417 176.300 -0.101 0.000 1.153 15 D CA -0.479 53.415 54.000 -0.177 0.000 1.038 15 D CB 2.351 43.026 40.800 -0.208 0.000 1.120 15 D HN 0.033 nan 8.370 nan 0.000 0.564 16 V N 1.542 121.429 119.914 -0.045 0.000 2.482 16 V HA 0.300 4.420 4.120 -0.000 0.000 0.295 16 V C 0.063 176.211 176.094 0.091 0.000 1.026 16 V CA -0.678 61.622 62.300 -0.001 0.000 0.856 16 V CB 1.597 33.400 31.823 -0.033 0.000 1.001 16 V HN 0.349 nan 8.190 nan 0.000 0.424 17 I N 4.513 125.170 120.570 0.145 0.000 2.428 17 I HA 0.317 4.486 4.170 -0.000 0.000 0.289 17 I C -0.844 175.433 176.117 0.268 0.000 1.019 17 I CA -0.503 60.946 61.300 0.248 0.000 1.351 17 I CB 0.925 39.107 38.000 0.304 0.000 1.412 17 I HN 0.616 nan 8.210 nan 0.000 0.513 18 Y N 6.413 126.798 120.300 0.142 0.000 2.478 18 Y HA 0.200 4.750 4.550 -0.000 0.000 0.329 18 Y C 0.150 176.091 175.900 0.069 0.000 0.967 18 Y CA -0.480 57.670 58.100 0.084 0.000 1.255 18 Y CB 0.706 39.183 38.460 0.028 0.000 1.103 18 Y HN 0.503 nan 8.280 nan 0.000 0.497 19 Q N 6.903 126.551 119.800 -0.254 0.000 2.296 19 Q HA 0.341 4.681 4.340 -0.000 0.000 0.263 19 Q C -1.159 174.562 176.000 -0.464 0.000 1.026 19 Q CA 0.031 55.589 55.803 -0.407 0.000 0.912 19 Q CB 0.435 28.786 28.738 -0.644 0.000 1.198 19 Q HN 0.771 nan 8.270 nan 0.000 0.407 20 I N 3.884 124.200 120.570 -0.423 0.000 2.406 20 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 20 I C -0.657 175.236 176.117 -0.373 0.000 0.999 20 I CA -0.785 60.250 61.300 -0.441 0.000 1.124 20 I CB 1.156 38.884 38.000 -0.454 0.000 1.289 20 I HN 0.544 nan 8.210 nan 0.000 0.441 21 F N 5.342 124.893 119.950 -0.666 0.000 2.451 21 F HA 0.162 4.689 4.527 -0.000 0.000 0.356 21 F C 1.717 177.306 175.800 -0.353 0.000 1.178 21 F CA 0.012 57.750 58.000 -0.436 0.000 1.210 21 F CB 0.436 39.242 39.000 -0.323 0.000 1.504 21 F HN 0.568 nan 8.300 nan 0.000 0.598 22 T N 1.145 115.526 114.554 -0.289 0.000 2.635 22 T HA -0.387 3.963 4.350 -0.000 0.000 0.265 22 T C 1.679 176.340 174.700 -0.064 0.000 1.058 22 T CA 2.344 64.291 62.100 -0.254 0.000 1.162 22 T CB -0.314 68.143 68.868 -0.685 0.000 0.859 22 T HN 0.587 nan 8.240 nan 0.000 0.449 23 D N 0.216 120.629 120.400 0.023 0.000 2.264 23 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 23 D C 1.891 178.294 176.300 0.172 0.000 0.966 23 D CA 0.676 54.796 54.000 0.200 0.000 0.864 23 D CB 0.145 41.130 40.800 0.309 0.000 0.933 23 D HN 0.187 nan 8.370 nan 0.000 0.499 24 R N -0.689 119.892 120.500 0.135 0.000 2.468 24 R HA 0.114 4.454 4.340 -0.000 0.000 0.280 24 R C 0.709 177.073 176.300 0.106 0.000 0.963 24 R CA -0.183 55.975 56.100 0.097 0.000 1.083 24 R CB -0.225 30.140 30.300 0.107 0.000 1.200 24 R HN 0.256 nan 8.270 nan 0.000 0.541 25 F N 0.686 120.603 119.950 -0.055 0.000 2.202 25 F HA 0.285 4.812 4.527 -0.000 0.000 0.279 25 F C 0.397 176.318 175.800 0.201 0.000 1.077 25 F CA 0.237 58.266 58.000 0.048 0.000 1.193 25 F CB 0.353 39.375 39.000 0.036 0.000 1.090 25 F HN -0.174 nan 8.300 nan 0.000 0.516 26 S N -0.419 115.358 115.700 0.128 0.000 2.543 26 S HA 0.241 4.710 4.470 -0.000 0.000 0.273 26 S C -1.965 172.692 174.600 0.095 0.000 1.152 26 S CA -0.787 57.436 58.200 0.039 0.000 0.910 26 S CB 0.989 64.115 63.200 -0.123 0.000 1.105 26 S HN 0.228 nan 8.310 nan 0.000 0.465 27 D N 3.289 123.740 120.400 0.084 0.000 2.500 27 D HA 0.423 5.063 4.640 -0.000 0.000 0.219 27 D C 1.168 177.505 176.300 0.063 0.000 1.137 27 D CA -0.121 53.934 54.000 0.092 0.000 0.946 27 D CB 0.359 41.230 40.800 0.118 0.000 1.022 27 D HN 0.679 nan 8.370 nan 0.000 0.518 28 G N 2.802 111.640 108.800 0.062 0.000 2.813 28 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.209 28 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.209 28 G C 0.672 175.598 174.900 0.044 0.000 1.150 28 G CA -0.236 44.891 45.100 0.046 0.000 0.785 28 G HN 0.450 nan 8.290 nan 0.000 0.535 29 N N -0.464 118.262 118.700 0.043 0.000 2.685 29 N HA 0.266 5.006 4.740 -0.000 0.000 0.252 29 N C -2.098 173.413 175.510 0.002 0.000 1.261 29 N CA -1.741 51.325 53.050 0.026 0.000 0.768 29 N CB 1.929 40.437 38.487 0.034 0.000 1.304 29 N HN -0.204 nan 8.380 nan 0.000 0.536 30 P HA -0.065 nan 4.420 nan 0.000 0.221 30 P C 1.010 178.260 177.300 -0.083 0.000 1.145 30 P CA 0.759 63.838 63.100 -0.035 0.000 0.795 30 P CB 0.223 31.917 31.700 -0.009 0.000 0.775 31 A N 1.085 123.871 122.820 -0.057 0.000 2.070 31 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 31 A C 1.792 179.318 177.584 -0.098 0.000 1.159 31 A CA 1.876 53.872 52.037 -0.068 0.000 0.656 31 A CB -1.370 17.608 19.000 -0.038 0.000 0.800 31 A HN 0.372 nan 8.150 nan 0.000 0.453 32 N N -0.430 118.210 118.700 -0.099 0.000 2.280 32 N HA 0.012 4.752 4.740 -0.000 0.000 0.192 32 N C -0.638 174.751 175.510 -0.201 0.000 1.109 32 N CA -0.312 52.664 53.050 -0.124 0.000 0.855 32 N CB -0.515 37.924 38.487 -0.081 0.000 0.974 32 N HN 0.196 nan 8.380 nan 0.000 0.482 33 N N 2.544 121.084 118.700 -0.267 0.000 2.458 33 N HA 0.170 4.910 4.740 -0.000 0.000 0.258 33 N C -2.218 172.965 175.510 -0.547 0.000 1.219 33 N CA -0.839 51.931 53.050 -0.466 0.000 0.902 33 N CB 0.121 38.145 38.487 -0.771 0.000 1.076 33 N HN 0.235 nan 8.380 nan 0.000 0.455 34 P HA 0.077 nan 4.420 nan 0.000 0.271 34 P C 0.234 177.322 177.300 -0.353 0.000 1.244 34 P CA -0.131 62.732 63.100 -0.394 0.000 0.793 34 P CB 0.375 31.831 31.700 -0.406 0.000 0.984 35 T N -4.131 110.333 114.554 -0.150 0.000 2.807 35 T HA 0.668 5.018 4.350 -0.000 0.000 0.277 35 T C 0.559 175.296 174.700 0.061 0.000 1.006 35 T CA 0.001 62.069 62.100 -0.052 0.000 1.006 35 T CB 1.037 69.859 68.868 -0.077 0.000 1.274 35 T HN 0.732 nan 8.240 nan 0.000 0.569 36 G N 0.712 109.559 108.800 0.078 0.000 2.574 36 G HA2 0.007 3.967 3.960 -0.000 0.000 0.282 36 G HA3 0.007 3.967 3.960 -0.000 0.000 0.282 36 G C 1.168 176.139 174.900 0.117 0.000 1.257 36 G CA 0.734 45.883 45.100 0.080 0.000 0.956 36 G HN 1.874 nan 8.290 nan 0.000 0.560 37 A N -0.578 122.296 122.820 0.089 0.000 2.178 37 A HA 0.356 4.676 4.320 -0.000 0.000 0.218 37 A C 2.663 180.323 177.584 0.126 0.000 1.157 37 A CA 2.651 54.742 52.037 0.090 0.000 0.689 37 A CB -0.647 18.394 19.000 0.067 0.000 0.787 37 A HN 2.244 nan 8.150 nan 0.000 0.465 38 A N -2.032 120.885 122.820 0.163 0.000 2.218 38 A HA 0.474 4.794 4.320 -0.000 0.000 0.209 38 A C 0.415 178.204 177.584 0.341 0.000 1.168 38 A CA 0.035 52.211 52.037 0.232 0.000 0.804 38 A CB -0.159 18.963 19.000 0.204 0.000 0.834 38 A HN 0.424 nan 8.150 nan 0.000 0.482 39 F N -0.350 119.654 119.950 0.089 0.000 2.523 39 F HA 0.613 5.140 4.527 -0.000 0.000 0.329 39 F C -1.058 174.780 175.800 0.063 0.000 1.061 39 F CA -1.610 56.442 58.000 0.086 0.000 0.967 39 F CB 1.906 40.932 39.000 0.044 0.000 1.218 39 F HN 0.008 nan 8.300 nan 0.000 0.480 40 D N 2.045 121.785 120.400 -1.100 0.000 2.826 40 D HA 0.200 4.840 4.640 -0.000 0.000 0.239 40 D C 0.824 176.516 176.300 -1.013 0.000 1.329 40 D CA 0.236 53.757 54.000 -0.799 0.000 0.854 40 D CB 0.274 40.873 40.800 -0.336 0.000 1.494 40 D HN 0.678 nan 8.370 nan 0.000 0.540 41 G N 0.884 108.958 108.800 -1.211 0.000 2.499 41 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.221 41 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.221 41 G C 1.416 176.190 174.900 -0.210 0.000 1.109 41 G CA 1.640 46.445 45.100 -0.492 0.000 0.749 41 G HN 0.522 nan 8.290 nan 0.000 0.568 42 T N -3.598 110.830 114.554 -0.210 0.000 3.023 42 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 42 T C 1.432 176.062 174.700 -0.117 0.000 1.093 42 T CA 0.944 62.973 62.100 -0.119 0.000 1.129 42 T CB -0.570 68.242 68.868 -0.094 0.000 0.899 42 T HN 0.694 nan 8.240 nan 0.000 0.491 43 c N 1.457 119.955 118.600 -0.170 0.000 4.454 43 c HA -0.192 4.378 4.570 -0.000 0.000 0.298 43 c C 1.581 175.606 174.090 -0.108 0.000 1.384 43 c CA 0.920 57.165 56.329 -0.141 0.000 2.002 43 c CB -2.670 39.785 42.510 -0.092 0.000 1.249 43 c HN 0.795 nan 8.230 nan 0.000 0.783 44 T N -0.492 113.999 114.554 -0.106 0.000 3.009 44 T HA -0.012 4.338 4.350 -0.000 0.000 0.258 44 T C 0.796 175.453 174.700 -0.071 0.000 1.063 44 T CA 1.115 63.171 62.100 -0.075 0.000 1.139 44 T CB -0.158 68.674 68.868 -0.061 0.000 0.890 44 T HN 0.671 nan 8.240 nan 0.000 0.471 45 N N 2.003 120.649 118.700 -0.091 0.000 2.645 45 N HA 0.208 4.948 4.740 -0.000 0.000 0.233 45 N C 0.737 176.176 175.510 -0.119 0.000 1.058 45 N CA -0.176 52.828 53.050 -0.076 0.000 0.942 45 N CB 0.372 38.824 38.487 -0.058 0.000 1.210 45 N HN 0.266 nan 8.380 nan 0.000 0.512 46 L N 2.307 123.463 121.223 -0.111 0.000 2.549 46 L HA -0.070 4.270 4.340 -0.000 0.000 0.230 46 L C 1.665 178.364 176.870 -0.286 0.000 1.162 46 L CA 0.838 55.569 54.840 -0.182 0.000 0.834 46 L CB -0.068 41.931 42.059 -0.099 0.000 0.947 46 L HN 0.333 nan 8.230 nan 0.000 0.452 47 R N -1.079 119.346 120.500 -0.126 0.000 2.334 47 R HA 0.193 4.533 4.340 -0.000 0.000 0.216 47 R C -0.101 176.194 176.300 -0.007 0.000 0.905 47 R CA -0.192 55.915 56.100 0.013 0.000 1.064 47 R CB 0.327 30.723 30.300 0.161 0.000 1.046 47 R HN 0.100 nan 8.270 nan 0.000 0.508 48 L N -0.511 120.632 121.223 -0.134 0.000 2.397 48 L HA 0.315 4.655 4.340 -0.000 0.000 0.266 48 L C -0.066 176.745 176.870 -0.098 0.000 1.040 48 L CA -1.268 53.561 54.840 -0.019 0.000 0.800 48 L CB 0.126 42.186 42.059 0.001 0.000 1.324 48 L HN -0.117 nan 8.230 nan 0.000 0.469 49 Y N -0.838 119.510 120.300 0.079 0.000 2.319 49 Y HA 0.108 4.658 4.550 -0.000 0.000 0.328 49 Y C 1.029 176.994 175.900 0.108 0.000 1.133 49 Y CA 0.156 58.363 58.100 0.177 0.000 1.265 49 Y CB 0.986 39.640 38.460 0.323 0.000 1.218 49 Y HN 0.501 nan 8.280 nan 0.000 0.508 50 c N 0.776 119.525 118.600 0.248 0.000 2.865 50 c HA 0.322 4.892 4.570 -0.000 0.000 0.280 50 c C 1.656 175.991 174.090 0.408 0.000 1.255 50 c CA 0.513 56.911 56.329 0.115 0.000 1.705 50 c CB -0.402 42.111 42.510 0.006 0.000 2.080 50 c HN 1.211 nan 8.230 nan 0.000 0.591 51 G N 0.228 109.353 108.800 0.543 0.000 2.192 51 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.193 51 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.193 51 G C 0.334 175.386 174.900 0.253 0.000 0.999 51 G CA -0.134 45.220 45.100 0.422 0.000 0.659 51 G HN 0.765 nan 8.290 nan 0.000 0.503 52 G N 0.689 109.635 108.800 0.244 0.000 2.340 52 G HA2 0.537 4.497 3.960 -0.000 0.000 0.245 52 G HA3 0.537 4.497 3.960 -0.000 0.000 0.245 52 G C 0.019 175.002 174.900 0.138 0.000 1.294 52 G CA 1.008 46.214 45.100 0.176 0.000 0.896 52 G HN 0.959 nan 8.290 nan 0.000 0.522 53 D N -0.136 120.321 120.400 0.095 0.000 2.652 53 D HA 0.279 4.919 4.640 -0.000 0.000 0.285 53 D C 0.542 176.903 176.300 0.101 0.000 1.173 53 D CA -0.932 53.075 54.000 0.012 0.000 0.981 53 D CB 0.353 41.173 40.800 0.034 0.000 1.440 53 D HN 0.300 nan 8.370 nan 0.000 0.485 54 W N -0.492 120.875 121.300 0.112 0.000 2.388 54 W HA -0.040 4.620 4.660 -0.000 0.000 0.294 54 W C 2.089 178.651 176.519 0.072 0.000 1.212 54 W CA 0.936 58.331 57.345 0.083 0.000 1.271 54 W CB -0.984 28.544 29.460 0.112 0.000 1.126 54 W HN 0.539 nan 8.180 nan 0.000 0.535 55 Q N 0.437 120.405 119.800 0.279 0.000 2.096 55 Q HA -0.100 4.239 4.340 -0.000 0.000 0.204 55 Q C 2.386 178.466 176.000 0.134 0.000 0.982 55 Q CA 2.515 58.421 55.803 0.172 0.000 0.850 55 Q CB -1.088 27.724 28.738 0.123 0.000 0.901 55 Q HN 0.174 nan 8.270 nan 0.000 0.422 56 G N 0.407 109.292 108.800 0.142 0.000 2.440 56 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 56 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 56 G C 1.452 176.448 174.900 0.161 0.000 1.154 56 G CA 1.046 46.213 45.100 0.112 0.000 0.767 56 G HN 0.439 nan 8.290 nan 0.000 0.552 57 I N 0.624 121.355 120.570 0.269 0.000 2.179 57 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 57 I C 2.686 178.907 176.117 0.173 0.000 1.088 57 I CA 0.826 62.309 61.300 0.306 0.000 1.357 57 I CB -0.290 37.862 38.000 0.254 0.000 1.051 57 I HN 0.146 nan 8.210 nan 0.000 0.409 58 I N 1.114 121.756 120.570 0.120 0.000 2.151 58 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 58 I C 2.265 178.405 176.117 0.038 0.000 1.080 58 I CA 1.497 62.834 61.300 0.061 0.000 1.339 58 I CB -0.698 37.334 38.000 0.054 0.000 1.039 58 I HN 0.356 nan 8.210 nan 0.000 0.409 59 N N 1.034 119.749 118.700 0.026 0.000 2.084 59 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 59 N C 1.738 177.211 175.510 -0.060 0.000 1.030 59 N CA 1.170 54.204 53.050 -0.026 0.000 0.849 59 N CB -0.368 38.087 38.487 -0.054 0.000 1.012 59 N HN 0.259 nan 8.380 nan 0.000 0.423 60 K N 1.023 121.385 120.400 -0.063 0.000 2.209 60 K HA 0.044 4.364 4.320 -0.000 0.000 0.204 60 K C 2.101 178.729 176.600 0.047 0.000 1.048 60 K CA 0.342 56.581 56.287 -0.081 0.000 0.940 60 K CB -0.388 32.099 32.500 -0.022 0.000 0.729 60 K HN 0.322 nan 8.250 nan 0.000 0.451 61 I N 0.856 121.461 120.570 0.058 0.000 2.233 61 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 61 I C 1.533 177.660 176.117 0.017 0.000 1.093 61 I CA 1.131 62.456 61.300 0.043 0.000 1.380 61 I CB -0.190 37.829 38.000 0.032 0.000 1.067 61 I HN 0.252 nan 8.210 nan 0.000 0.413 62 N N 0.701 119.404 118.700 0.005 0.000 2.216 62 N HA -0.196 4.544 4.740 -0.000 0.000 0.183 62 N C 1.155 176.661 175.510 -0.007 0.000 1.017 62 N CA 1.222 54.271 53.050 -0.003 0.000 0.861 62 N CB -0.093 38.391 38.487 -0.005 0.000 0.986 62 N HN 0.427 nan 8.380 nan 0.000 0.428 63 D N -0.259 120.129 120.400 -0.020 0.000 2.363 63 D HA 0.031 4.671 4.640 -0.000 0.000 0.226 63 D C 1.268 177.574 176.300 0.010 0.000 1.020 63 D CA 0.720 54.706 54.000 -0.022 0.000 0.892 63 D CB -0.230 40.532 40.800 -0.065 0.000 0.900 63 D HN 0.272 nan 8.370 nan 0.000 0.531 64 G N -0.554 108.263 108.800 0.028 0.000 2.175 64 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.244 64 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.244 64 G C 0.657 175.613 174.900 0.093 0.000 0.982 64 G CA 0.339 45.466 45.100 0.045 0.000 0.641 64 G HN 0.352 nan 8.290 nan 0.000 0.527 65 Y N 1.017 121.312 120.300 -0.008 0.000 2.070 65 Y HA 0.028 4.578 4.550 -0.000 0.000 0.280 65 Y C 2.711 178.674 175.900 0.104 0.000 1.148 65 Y CA 2.532 60.670 58.100 0.064 0.000 1.125 65 Y CB -0.414 38.034 38.460 -0.019 0.000 0.975 65 Y HN 0.302 nan 8.280 nan 0.000 0.492 66 L N -0.856 120.362 121.223 -0.008 0.000 2.044 66 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 66 L C 2.629 179.399 176.870 -0.167 0.000 1.075 66 L CA 1.783 56.516 54.840 -0.178 0.000 0.747 66 L CB -1.289 40.709 42.059 -0.102 0.000 0.903 66 L HN 0.344 nan 8.230 nan 0.000 0.435 67 T N -2.444 112.064 114.554 -0.077 0.000 2.720 67 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 67 T C 1.961 176.614 174.700 -0.078 0.000 1.037 67 T CA 1.182 63.241 62.100 -0.069 0.000 1.144 67 T CB -1.170 67.678 68.868 -0.034 0.000 0.864 67 T HN 0.391 nan 8.240 nan 0.000 0.444 68 G N 0.372 109.152 108.800 -0.034 0.000 2.470 68 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.220 68 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.220 68 G C 1.555 176.403 174.900 -0.086 0.000 1.121 68 G CA 0.646 45.758 45.100 0.020 0.000 0.766 68 G HN 0.501 nan 8.290 nan 0.000 0.553 69 M N -0.498 118.922 119.600 -0.299 0.000 2.388 69 M HA 0.185 4.665 4.480 -0.000 0.000 0.265 69 M C 1.926 178.000 176.300 -0.376 0.000 1.088 69 M CA 1.136 56.048 55.300 -0.646 0.000 1.134 69 M CB 0.362 32.481 32.600 -0.801 0.000 1.384 69 M HN 0.403 nan 8.290 nan 0.000 0.447 70 G N 0.208 108.865 108.800 -0.239 0.000 2.179 70 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 70 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 70 G C 0.043 174.855 174.900 -0.147 0.000 0.990 70 G CA -0.086 44.912 45.100 -0.171 0.000 0.646 70 G HN 0.289 nan 8.290 nan 0.000 0.517 71 V N 1.873 121.691 119.914 -0.161 0.000 2.599 71 V HA 0.412 4.532 4.120 -0.000 0.000 0.300 71 V C 1.737 177.793 176.094 -0.064 0.000 1.034 71 V CA 1.707 63.948 62.300 -0.097 0.000 1.115 71 V CB 1.361 33.112 31.823 -0.121 0.000 0.934 71 V HN 0.862 nan 8.190 nan 0.000 0.485 72 T N 1.219 115.752 114.554 -0.035 0.000 3.084 72 T HA 0.675 5.025 4.350 -0.000 0.000 0.270 72 T C 0.012 174.709 174.700 -0.004 0.000 1.008 72 T CA 0.368 62.440 62.100 -0.048 0.000 0.900 72 T CB 0.386 69.192 68.868 -0.102 0.000 1.084 72 T HN 1.113 nan 8.240 nan 0.000 0.538 73 A N 1.498 124.367 122.820 0.081 0.000 2.594 73 A HA 0.717 5.037 4.320 -0.000 0.000 0.296 73 A C -1.295 176.436 177.584 0.245 0.000 1.061 73 A CA -1.179 50.968 52.037 0.184 0.000 0.689 73 A CB 0.975 20.154 19.000 0.299 0.000 1.280 73 A HN 0.820 nan 8.150 nan 0.000 0.406 74 I N -2.102 118.625 120.570 0.262 0.000 2.608 74 I HA 0.878 5.047 4.170 -0.000 0.000 0.295 74 I C -1.133 175.194 176.117 0.349 0.000 1.049 74 I CA -0.762 60.699 61.300 0.269 0.000 1.063 74 I CB 2.108 40.208 38.000 0.167 0.000 1.248 74 I HN 0.822 nan 8.210 nan 0.000 0.424 75 W N 8.984 130.362 121.300 0.131 0.000 2.336 75 W HA 0.709 5.369 4.660 -0.000 0.000 0.315 75 W C -1.240 175.301 176.519 0.036 0.000 1.016 75 W CA -1.881 55.533 57.345 0.115 0.000 1.318 75 W CB 0.612 30.183 29.460 0.185 0.000 1.247 75 W HN 0.655 nan 8.180 nan 0.000 0.414 76 I N 2.440 123.184 120.570 0.290 0.000 2.793 76 I HA 0.662 4.832 4.170 -0.000 0.000 0.313 76 I C 0.512 176.664 176.117 0.059 0.000 0.998 76 I CA -0.844 60.495 61.300 0.065 0.000 1.140 76 I CB 1.390 39.446 38.000 0.093 0.000 1.327 76 I HN 0.194 nan 8.210 nan 0.000 0.491 77 S N 1.640 117.235 115.700 -0.175 0.000 2.576 77 S HA -0.017 4.453 4.470 -0.000 0.000 0.272 77 S C 0.004 174.554 174.600 -0.082 0.000 1.352 77 S CA -0.403 57.624 58.200 -0.288 0.000 1.021 77 S CB 0.338 63.221 63.200 -0.528 0.000 0.887 77 S HN 0.713 nan 8.310 nan 0.000 0.542 78 Q N 2.355 122.050 119.800 -0.174 0.000 2.339 78 Q HA -0.021 4.319 4.340 -0.000 0.000 0.308 78 Q C -1.514 174.535 176.000 0.082 0.000 1.097 78 Q CA -1.072 54.683 55.803 -0.080 0.000 1.007 78 Q CB 0.519 29.152 28.738 -0.175 0.000 1.051 78 Q HN 0.329 nan 8.270 nan 0.000 0.381 79 P HA -0.098 nan 4.420 nan 0.000 0.221 79 P C 0.462 177.867 177.300 0.175 0.000 1.150 79 P CA 0.568 63.831 63.100 0.272 0.000 0.800 79 P CB -0.321 31.280 31.700 -0.164 0.000 0.787 80 V N -1.102 118.786 119.914 -0.043 0.000 3.139 80 V HA 0.058 4.178 4.120 -0.000 0.000 0.307 80 V C 0.547 176.622 176.094 -0.030 0.000 1.095 80 V CA -0.805 61.535 62.300 0.068 0.000 1.160 80 V CB -0.213 31.623 31.823 0.020 0.000 1.003 80 V HN 0.045 nan 8.190 nan 0.000 0.489 81 E N 3.073 123.265 120.200 -0.014 0.000 2.351 81 E HA 0.100 4.450 4.350 -0.000 0.000 0.266 81 E C -0.090 176.377 176.600 -0.221 0.000 1.031 81 E CA 0.015 56.344 56.400 -0.118 0.000 0.911 81 E CB 0.169 29.848 29.700 -0.036 0.000 0.986 81 E HN 0.886 nan 8.360 nan 0.000 0.446 82 N N 3.311 121.819 118.700 -0.320 0.000 2.502 82 N HA 0.284 5.024 4.740 -0.000 0.000 0.280 82 N C 0.289 175.554 175.510 -0.409 0.000 1.223 82 N CA -0.725 52.164 53.050 -0.268 0.000 0.966 82 N CB 0.972 39.333 38.487 -0.211 0.000 1.203 82 N HN 0.486 nan 8.380 nan 0.000 0.565 83 I N -1.183 119.285 120.570 -0.169 0.000 2.892 83 I HA -0.039 4.131 4.170 -0.000 0.000 0.287 83 I C -0.050 175.908 176.117 -0.264 0.000 1.205 83 I CA 0.099 61.308 61.300 -0.151 0.000 1.409 83 I CB 0.278 38.285 38.000 0.013 0.000 1.367 83 I HN 0.603 nan 8.210 nan 0.000 0.597 84 Y N 2.091 122.406 120.300 0.025 0.000 2.507 84 Y HA 0.105 4.654 4.550 -0.000 0.000 0.263 84 Y C 1.798 177.712 175.900 0.024 0.000 1.093 84 Y CA 0.321 58.427 58.100 0.010 0.000 1.285 84 Y CB -0.255 38.180 38.460 -0.040 0.000 1.115 84 Y HN 0.731 nan 8.280 nan 0.000 0.533 85 S N 1.120 116.900 115.700 0.133 0.000 2.568 85 S HA 0.188 4.658 4.470 -0.000 0.000 0.282 85 S C -0.211 174.422 174.600 0.055 0.000 1.338 85 S CA -0.505 57.724 58.200 0.048 0.000 1.045 85 S CB 0.352 63.519 63.200 -0.055 0.000 0.873 85 S HN 0.218 nan 8.310 nan 0.000 0.516 86 I N 2.861 123.455 120.570 0.040 0.000 2.301 86 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 86 I C -0.049 176.050 176.117 -0.029 0.000 1.046 86 I CA -0.376 60.961 61.300 0.063 0.000 1.282 86 I CB 0.369 38.414 38.000 0.075 0.000 1.409 86 I HN 0.567 nan 8.210 nan 0.000 0.484 87 I N 6.554 127.098 120.570 -0.043 0.000 2.395 87 I HA 0.137 4.307 4.170 -0.000 0.000 0.289 87 I C 0.436 176.434 176.117 -0.198 0.000 1.023 87 I CA -0.260 60.891 61.300 -0.248 0.000 1.350 87 I CB 0.708 38.432 38.000 -0.460 0.000 1.409 87 I HN 0.577 nan 8.210 nan 0.000 0.507 88 N N 6.605 125.172 118.700 -0.221 0.000 2.501 88 N HA 0.159 4.899 4.740 -0.000 0.000 0.245 88 N C -1.464 173.966 175.510 -0.134 0.000 0.974 88 N CA -0.382 52.608 53.050 -0.099 0.000 0.941 88 N CB 0.650 39.128 38.487 -0.015 0.000 1.122 88 N HN 0.352 nan 8.380 nan 0.000 0.507 89 Y N 2.093 122.468 120.300 0.125 0.000 2.751 89 Y HA 0.163 4.713 4.550 -0.000 0.000 0.333 89 Y C 0.612 176.552 175.900 0.066 0.000 1.122 89 Y CA -0.497 57.663 58.100 0.100 0.000 1.367 89 Y CB 0.080 38.601 38.460 0.102 0.000 1.242 89 Y HN 0.460 nan 8.280 nan 0.000 0.505 90 S N 1.763 117.568 115.700 0.175 0.000 3.766 90 S HA -0.135 4.335 4.470 -0.000 0.000 0.416 90 S C 1.338 175.992 174.600 0.091 0.000 0.902 90 S CA 0.822 59.088 58.200 0.111 0.000 1.283 90 S CB -1.459 61.802 63.200 0.101 0.000 0.891 90 S HN 1.436 nan 8.310 nan 0.000 0.556 91 G N -1.531 107.314 108.800 0.075 0.000 2.245 91 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 91 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 91 G C 0.138 175.081 174.900 0.072 0.000 0.985 91 G CA 0.127 45.264 45.100 0.061 0.000 0.625 91 G HN 1.652 nan 8.290 nan 0.000 0.536 92 V N 1.221 121.197 119.914 0.103 0.000 2.383 92 V HA 0.533 4.653 4.120 -0.000 0.000 0.275 92 V C 0.187 176.362 176.094 0.136 0.000 1.036 92 V CA -1.494 60.877 62.300 0.119 0.000 0.889 92 V CB 1.385 33.291 31.823 0.138 0.000 0.985 92 V HN 0.255 nan 8.190 nan 0.000 0.459 93 N N 4.171 122.938 118.700 0.112 0.000 2.520 93 N HA 0.321 5.061 4.740 -0.000 0.000 0.273 93 N C -0.385 175.232 175.510 0.179 0.000 1.155 93 N CA 0.102 53.222 53.050 0.117 0.000 0.967 93 N CB 0.439 38.982 38.487 0.092 0.000 1.092 93 N HN 0.748 nan 8.380 nan 0.000 0.457 94 N N -0.307 118.524 118.700 0.219 0.000 2.235 94 N HA 0.414 5.154 4.740 -0.000 0.000 0.293 94 N C -0.753 174.971 175.510 0.357 0.000 1.083 94 N CA -0.453 52.803 53.050 0.343 0.000 0.801 94 N CB 2.245 41.065 38.487 0.555 0.000 1.559 94 N HN 0.565 nan 8.380 nan 0.000 0.472 95 T N -2.706 112.042 114.554 0.324 0.000 2.888 95 T HA 0.615 4.965 4.350 -0.000 0.000 0.288 95 T C 0.303 174.910 174.700 -0.156 0.000 1.063 95 T CA -0.727 61.519 62.100 0.242 0.000 1.010 95 T CB 1.711 70.744 68.868 0.274 0.000 1.214 95 T HN 0.367 nan 8.240 nan 0.000 0.533 96 A N 0.460 123.141 122.820 -0.233 0.000 2.476 96 A HA 0.291 4.611 4.320 -0.000 0.000 0.263 96 A C 1.273 178.225 177.584 -1.052 0.000 1.342 96 A CA -0.249 51.298 52.037 -0.817 0.000 0.926 96 A CB -1.569 17.312 19.000 -0.198 0.000 1.019 96 A HN 0.972 nan 8.150 nan 0.000 0.515 97 Y N 0.036 119.646 120.300 -1.149 0.000 2.365 97 Y HA -0.325 4.225 4.550 -0.000 0.000 0.287 97 Y C 1.743 177.312 175.900 -0.552 0.000 1.162 97 Y CA 1.802 59.185 58.100 -1.195 0.000 1.260 97 Y CB -1.128 36.760 38.460 -0.952 0.000 0.976 97 Y HN 0.651 nan 8.280 nan 0.000 0.548 98 H N -1.559 116.797 119.070 -1.189 0.000 2.535 98 H HA 0.350 4.905 4.556 -0.000 0.000 0.273 98 H C 1.949 176.854 175.328 -0.705 0.000 0.983 98 H CA -0.113 55.388 56.048 -0.911 0.000 1.238 98 H CB -0.613 28.727 29.762 -0.703 0.000 1.412 98 H HN 0.353 nan 8.280 nan 0.000 0.562 99 G N -0.150 108.370 108.800 -0.466 0.000 2.143 99 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.248 99 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.248 99 G C 0.227 174.993 174.900 -0.224 0.000 0.991 99 G CA 0.586 45.517 45.100 -0.281 0.000 0.689 99 G HN 0.526 nan 8.290 nan 0.000 0.522 100 Y N -1.618 118.745 120.300 0.104 0.000 2.462 100 Y HA 0.343 4.893 4.550 -0.000 0.000 0.261 100 Y C 1.019 177.121 175.900 0.336 0.000 1.146 100 Y CA -0.424 57.753 58.100 0.128 0.000 1.283 100 Y CB 0.387 38.856 38.460 0.014 0.000 1.090 100 Y HN 0.403 nan 8.280 nan 0.000 0.526 101 W N 1.712 123.177 121.300 0.275 0.000 1.928 101 W HA 0.661 5.321 4.660 -0.000 0.000 0.341 101 W C 0.197 176.711 176.519 -0.008 0.000 0.789 101 W CA -2.020 55.424 57.345 0.166 0.000 1.680 101 W CB -0.802 28.740 29.460 0.136 0.000 1.882 101 W HN -0.159 nan 8.180 nan 0.000 0.315 102 A N 2.337 125.230 122.820 0.122 0.000 2.445 102 A HA 0.367 4.687 4.320 -0.000 0.000 0.242 102 A C 1.480 178.999 177.584 -0.109 0.000 1.075 102 A CA 0.198 52.112 52.037 -0.204 0.000 0.777 102 A CB 0.565 19.105 19.000 -0.766 0.000 1.013 102 A HN 0.657 nan 8.150 nan 0.000 0.493 103 R N -0.003 120.413 120.500 -0.140 0.000 2.470 103 R HA 0.179 4.519 4.340 -0.000 0.000 0.210 103 R C -1.055 175.333 176.300 0.147 0.000 0.873 103 R CA 0.442 56.580 56.100 0.063 0.000 1.015 103 R CB 0.730 31.087 30.300 0.094 0.000 1.348 103 R HN 0.571 nan 8.270 nan 0.000 0.650 104 D N -0.055 120.349 120.400 0.006 0.000 2.470 104 D HA 0.177 4.817 4.640 -0.000 0.000 0.233 104 D C -0.473 175.906 176.300 0.131 0.000 1.372 104 D CA -0.572 53.541 54.000 0.188 0.000 0.994 104 D CB 0.985 41.919 40.800 0.223 0.000 1.377 104 D HN 0.024 nan 8.370 nan 0.000 0.586 105 F N 1.815 121.999 119.950 0.389 0.000 2.604 105 F HA 0.112 4.638 4.527 -0.000 0.000 0.298 105 F C 2.072 178.144 175.800 0.453 0.000 1.131 105 F CA 0.609 58.833 58.000 0.374 0.000 1.457 105 F CB 0.242 39.419 39.000 0.295 0.000 1.095 105 F HN 0.127 nan 8.300 nan 0.000 0.574 106 K N -0.248 120.415 120.400 0.438 0.000 2.374 106 K HA 0.119 4.439 4.320 -0.000 0.000 0.196 106 K C 0.148 176.843 176.600 0.159 0.000 1.023 106 K CA 0.247 56.673 56.287 0.232 0.000 1.103 106 K CB 0.327 32.915 32.500 0.148 0.000 0.848 106 K HN 0.116 nan 8.250 nan 0.000 0.528 107 K N -0.074 120.485 120.400 0.264 0.000 2.395 107 K HA 0.269 4.589 4.320 -0.000 0.000 0.245 107 K C -0.336 176.465 176.600 0.336 0.000 1.017 107 K CA -0.820 55.591 56.287 0.208 0.000 0.852 107 K CB 1.913 34.499 32.500 0.144 0.000 1.311 107 K HN -0.061 nan 8.250 nan 0.000 0.452 108 T N -1.771 112.957 114.554 0.290 0.000 2.944 108 T HA 0.243 4.593 4.350 -0.000 0.000 0.284 108 T C -0.039 174.742 174.700 0.136 0.000 1.010 108 T CA -0.860 61.461 62.100 0.368 0.000 1.025 108 T CB 1.023 70.195 68.868 0.508 0.000 1.079 108 T HN 0.433 nan 8.240 nan 0.000 0.516 109 N N 2.360 121.068 118.700 0.014 0.000 2.401 109 N HA 0.225 4.965 4.740 -0.000 0.000 0.255 109 N C -1.609 173.730 175.510 -0.285 0.000 1.110 109 N CA -2.255 50.626 53.050 -0.282 0.000 0.949 109 N CB 1.120 39.176 38.487 -0.719 0.000 1.110 109 N HN 0.343 nan 8.380 nan 0.000 0.490 110 P HA -0.164 nan 4.420 nan 0.000 0.217 110 P C 0.802 177.984 177.300 -0.197 0.000 1.148 110 P CA 1.294 64.331 63.100 -0.106 0.000 0.834 110 P CB 0.118 31.806 31.700 -0.020 0.000 0.783 111 A N -1.662 120.966 122.820 -0.320 0.000 2.019 111 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 111 A C 1.931 179.425 177.584 -0.150 0.000 1.164 111 A CA 1.270 53.130 52.037 -0.296 0.000 0.644 111 A CB -1.464 17.276 19.000 -0.434 0.000 0.805 111 A HN 0.108 nan 8.150 nan 0.000 0.449 112 Y N -0.883 119.157 120.300 -0.434 0.000 2.301 112 Y HA 0.386 4.936 4.550 -0.000 0.000 0.295 112 Y C 1.606 176.966 175.900 -0.900 0.000 1.119 112 Y CA 0.113 57.678 58.100 -0.891 0.000 1.162 112 Y CB -0.734 36.813 38.460 -1.522 0.000 1.046 112 Y HN 0.427 nan 8.280 nan 0.000 0.538 113 G N -1.047 107.495 108.800 -0.430 0.000 2.343 113 G HA2 0.322 4.282 3.960 -0.000 0.000 0.289 113 G HA3 0.322 4.282 3.960 -0.000 0.000 0.289 113 G C -0.859 174.187 174.900 0.244 0.000 1.295 113 G CA -0.476 44.641 45.100 0.028 0.000 0.869 113 G HN 0.185 nan 8.290 nan 0.000 0.522 114 T N -1.570 113.201 114.554 0.361 0.000 2.936 114 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 114 T C 1.646 176.601 174.700 0.425 0.000 1.003 114 T CA -0.380 61.908 62.100 0.313 0.000 1.005 114 T CB 1.451 70.434 68.868 0.192 0.000 1.097 114 T HN 0.520 nan 8.240 nan 0.000 0.532 115 I N 0.701 121.439 120.570 0.281 0.000 2.264 115 I HA -0.197 3.972 4.170 -0.000 0.000 0.248 115 I C 2.903 179.164 176.117 0.241 0.000 1.111 115 I CA 1.685 63.124 61.300 0.232 0.000 1.382 115 I CB -0.816 37.233 38.000 0.081 0.000 1.060 115 I HN 0.900 nan 8.210 nan 0.000 0.418 116 A N 0.408 123.344 122.820 0.193 0.000 1.902 116 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 116 A C 1.961 179.655 177.584 0.184 0.000 1.181 116 A CA 1.939 54.068 52.037 0.153 0.000 0.623 116 A CB -0.532 18.537 19.000 0.116 0.000 0.818 116 A HN 0.350 nan 8.150 nan 0.000 0.443 117 D N -1.085 119.479 120.400 0.273 0.000 2.097 117 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 117 D C 1.650 178.107 176.300 0.262 0.000 0.989 117 D CA 1.275 55.469 54.000 0.323 0.000 0.827 117 D CB -0.467 40.633 40.800 0.500 0.000 0.966 117 D HN 0.454 nan 8.370 nan 0.000 0.456 118 F N 1.864 121.878 119.950 0.106 0.000 2.095 118 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 118 F C 2.458 178.155 175.800 -0.172 0.000 1.104 118 F CA 1.600 59.417 58.000 -0.304 0.000 1.232 118 F CB -0.147 38.657 39.000 -0.327 0.000 0.987 118 F HN -0.060 nan 8.300 nan 0.000 0.475 119 Q N -0.070 119.787 119.800 0.094 0.000 2.135 119 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 119 Q C 1.858 177.803 176.000 -0.091 0.000 0.981 119 Q CA 1.982 57.790 55.803 0.008 0.000 0.856 119 Q CB -0.612 28.171 28.738 0.075 0.000 0.902 119 Q HN 0.634 nan 8.270 nan 0.000 0.425 120 N N 0.450 119.120 118.700 -0.050 0.000 2.188 120 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 120 N C 1.732 177.166 175.510 -0.127 0.000 1.018 120 N CA 0.444 53.463 53.050 -0.052 0.000 0.858 120 N CB -0.057 38.438 38.487 0.014 0.000 0.989 120 N HN 0.059 nan 8.380 nan 0.000 0.426 121 L N 1.751 122.847 121.223 -0.213 0.000 2.012 121 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 121 L C 1.810 178.455 176.870 -0.376 0.000 1.073 121 L CA 1.532 56.191 54.840 -0.302 0.000 0.748 121 L CB -0.581 41.167 42.059 -0.518 0.000 0.891 121 L HN 0.208 nan 8.230 nan 0.000 0.431 122 I N -0.300 119.961 120.570 -0.514 0.000 2.208 122 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 122 I C 2.623 178.433 176.117 -0.511 0.000 1.097 122 I CA 1.385 62.335 61.300 -0.585 0.000 1.363 122 I CB -1.511 36.165 38.000 -0.539 0.000 1.051 122 I HN 0.384 nan 8.210 nan 0.000 0.413 123 A N 1.203 123.858 122.820 -0.276 0.000 1.858 123 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 123 A C 2.645 180.177 177.584 -0.088 0.000 1.190 123 A CA 2.096 54.052 52.037 -0.135 0.000 0.617 123 A CB -0.888 18.071 19.000 -0.068 0.000 0.827 123 A HN 0.427 nan 8.150 nan 0.000 0.443 124 A N -0.043 122.721 122.820 -0.093 0.000 1.865 124 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 124 A C 2.568 180.127 177.584 -0.042 0.000 1.191 124 A CA 2.667 54.673 52.037 -0.051 0.000 0.623 124 A CB -1.288 17.686 19.000 -0.044 0.000 0.826 124 A HN 1.175 nan 8.150 nan 0.000 0.444 125 A N -0.679 122.090 122.820 -0.086 0.000 1.859 125 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 125 A C 1.957 179.581 177.584 0.068 0.000 1.198 125 A CA 1.904 53.918 52.037 -0.039 0.000 0.629 125 A CB -1.322 17.620 19.000 -0.098 0.000 0.830 125 A HN 0.778 nan 8.150 nan 0.000 0.446 126 H N -0.868 118.174 119.070 -0.046 0.000 2.387 126 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 126 H C 2.448 177.754 175.328 -0.037 0.000 1.099 126 H CA 0.669 56.693 56.048 -0.040 0.000 1.315 126 H CB -0.047 29.694 29.762 -0.035 0.000 1.380 126 H HN 0.580 nan 8.280 nan 0.000 0.513 127 A N 1.088 123.964 122.820 0.093 0.000 2.024 127 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 127 A C 1.773 179.369 177.584 0.019 0.000 1.164 127 A CA 1.297 53.357 52.037 0.039 0.000 0.643 127 A CB 0.018 19.029 19.000 0.018 0.000 0.806 127 A HN 0.221 nan 8.150 nan 0.000 0.451 128 K N -0.210 120.202 120.400 0.021 0.000 2.440 128 K HA 0.096 4.415 4.320 -0.000 0.000 0.206 128 K C -0.463 176.134 176.600 -0.006 0.000 1.025 128 K CA -0.220 56.069 56.287 0.002 0.000 1.135 128 K CB 0.148 32.647 32.500 -0.001 0.000 0.856 128 K HN 0.471 nan 8.250 nan 0.000 0.502 129 N N 1.087 119.787 118.700 -0.002 0.000 2.735 129 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 129 N C -0.634 174.858 175.510 -0.030 0.000 1.083 129 N CA 0.849 53.879 53.050 -0.034 0.000 0.703 129 N CB -1.538 36.913 38.487 -0.059 0.000 1.005 129 N HN 0.365 nan 8.380 nan 0.000 0.550 130 I N 0.493 121.079 120.570 0.027 0.000 2.406 130 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 130 I C 0.545 176.732 176.117 0.118 0.000 0.999 130 I CA -0.658 60.666 61.300 0.041 0.000 1.124 130 I CB 1.614 39.637 38.000 0.039 0.000 1.289 130 I HN -0.197 nan 8.210 nan 0.000 0.441 131 K N 4.664 125.115 120.400 0.085 0.000 2.185 131 K HA 0.517 4.837 4.320 -0.000 0.000 0.271 131 K C -0.889 175.860 176.600 0.248 0.000 1.013 131 K CA -0.559 55.830 56.287 0.170 0.000 0.943 131 K CB 1.843 34.371 32.500 0.048 0.000 0.998 131 K HN 0.284 nan 8.250 nan 0.000 0.468 132 V N 4.733 124.808 119.914 0.268 0.000 2.384 132 V HA 0.375 4.495 4.120 -0.000 0.000 0.287 132 V C -0.178 176.067 176.094 0.253 0.000 1.020 132 V CA -0.714 61.696 62.300 0.182 0.000 0.850 132 V CB 0.940 32.754 31.823 -0.014 0.000 0.987 132 V HN 0.599 nan 8.190 nan 0.000 0.436 133 I N 5.997 126.725 120.570 0.262 0.000 2.474 133 I HA 0.578 4.748 4.170 -0.000 0.000 0.294 133 I C -0.266 175.972 176.117 0.201 0.000 1.005 133 I CA -0.621 60.816 61.300 0.227 0.000 1.113 133 I CB 1.949 40.096 38.000 0.246 0.000 1.289 133 I HN 0.621 nan 8.210 nan 0.000 0.436 134 I N 1.142 121.781 120.570 0.116 0.000 2.562 134 I HA 0.575 4.745 4.170 -0.000 0.000 0.301 134 I C -0.626 175.512 176.117 0.035 0.000 1.003 134 I CA -0.686 60.680 61.300 0.111 0.000 1.127 134 I CB 1.723 39.760 38.000 0.062 0.000 1.304 134 I HN 0.359 nan 8.210 nan 0.000 0.446 135 D N 3.612 124.079 120.400 0.111 0.000 2.256 135 D HA 0.362 5.002 4.640 -0.000 0.000 0.250 135 D C -1.694 174.707 176.300 0.170 0.000 1.093 135 D CA 0.150 54.218 54.000 0.114 0.000 0.882 135 D CB 1.382 42.304 40.800 0.204 0.000 1.185 135 D HN 0.460 nan 8.370 nan 0.000 0.437 136 F N 1.830 121.771 119.950 -0.016 0.000 2.562 136 F HA 0.505 5.032 4.527 -0.000 0.000 0.319 136 F C -0.741 175.114 175.800 0.092 0.000 1.154 136 F CA -0.915 57.100 58.000 0.025 0.000 0.931 136 F CB 1.836 40.833 39.000 -0.005 0.000 1.198 136 F HN 0.311 nan 8.300 nan 0.000 0.444 137 A N 7.416 130.126 122.820 -0.184 0.000 2.802 137 A HA 0.533 4.853 4.320 -0.000 0.000 0.344 137 A C -2.445 174.972 177.584 -0.278 0.000 1.215 137 A CA -1.166 50.802 52.037 -0.114 0.000 0.821 137 A CB -0.129 18.921 19.000 0.083 0.000 1.099 137 A HN 0.441 nan 8.150 nan 0.000 0.479 138 P HA 0.020 nan 4.420 nan 0.000 0.257 138 P C 0.762 177.979 177.300 -0.139 0.000 1.281 138 P CA 0.431 63.307 63.100 -0.373 0.000 0.826 138 P CB 0.089 31.639 31.700 -0.249 0.000 1.237 139 N N 0.699 119.308 118.700 -0.151 0.000 2.300 139 N HA -0.101 4.639 4.740 -0.000 0.000 0.179 139 N C 0.794 176.322 175.510 0.029 0.000 1.016 139 N CA 0.648 53.706 53.050 0.014 0.000 0.876 139 N CB 0.020 38.591 38.487 0.141 0.000 0.979 139 N HN 0.227 nan 8.380 nan 0.000 0.432 140 H N -4.386 114.735 119.070 0.085 0.000 2.928 140 H HA 0.306 4.862 4.556 -0.000 0.000 0.285 140 H C -0.134 175.326 175.328 0.220 0.000 1.438 140 H CA -0.117 55.993 56.048 0.103 0.000 1.176 140 H CB 0.755 30.558 29.762 0.069 0.000 1.864 140 H HN 0.058 nan 8.280 nan 0.000 0.567 141 T N -0.783 114.003 114.554 0.388 0.000 3.507 141 T HA 0.345 4.695 4.350 -0.000 0.000 0.197 141 T C 0.617 175.519 174.700 0.337 0.000 0.847 141 T CA 0.721 63.014 62.100 0.322 0.000 1.531 141 T CB -0.524 68.524 68.868 0.301 0.000 1.834 141 T HN 0.808 nan 8.240 nan 0.000 0.433 142 S N 0.937 116.720 115.700 0.138 0.000 2.685 142 S HA 0.703 5.173 4.470 -0.000 0.000 0.282 142 S C -3.317 171.131 174.600 -0.255 0.000 1.159 142 S CA -1.677 56.476 58.200 -0.078 0.000 0.833 142 S CB 1.201 64.339 63.200 -0.104 0.000 1.151 142 S HN 0.327 nan 8.310 nan 0.000 0.485 143 P HA 0.496 nan 4.420 nan 0.000 0.268 143 P C -0.832 176.409 177.300 -0.099 0.000 1.204 143 P CA 0.209 63.153 63.100 -0.261 0.000 0.768 143 P CB 0.440 31.993 31.700 -0.246 0.000 0.842 144 A N 2.093 124.912 122.820 -0.001 0.000 2.588 144 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 144 A C -1.069 176.586 177.584 0.119 0.000 1.136 144 A CA -0.517 51.572 52.037 0.086 0.000 0.681 144 A CB 1.437 20.308 19.000 -0.215 0.000 1.282 144 A HN 0.372 nan 8.150 nan 0.000 0.421 145 S N -0.404 115.430 115.700 0.223 0.000 2.750 145 S HA 0.440 4.910 4.470 -0.000 0.000 0.276 145 S C 0.898 175.617 174.600 0.199 0.000 1.165 145 S CA 0.254 58.534 58.200 0.133 0.000 1.047 145 S CB 0.854 64.009 63.200 -0.075 0.000 1.056 145 S HN 1.792 nan 8.310 nan 0.000 0.481 146 S N 3.272 119.118 115.700 0.244 0.000 2.419 146 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 146 S C 0.990 175.587 174.600 -0.005 0.000 1.019 146 S CA 1.371 59.599 58.200 0.047 0.000 0.982 146 S CB -0.356 62.764 63.200 -0.133 0.000 0.789 146 S HN 0.733 nan 8.310 nan 0.000 0.490 147 D N 0.844 121.246 120.400 0.004 0.000 2.183 147 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 147 D C 0.881 177.180 176.300 -0.003 0.000 0.962 147 D CA 0.905 54.895 54.000 -0.017 0.000 0.849 147 D CB -0.208 40.575 40.800 -0.029 0.000 0.978 147 D HN 0.327 nan 8.370 nan 0.000 0.488 148 Q N 0.670 120.480 119.800 0.017 0.000 2.730 148 Q HA 0.190 4.530 4.340 -0.000 0.000 0.244 148 Q C -2.000 174.061 176.000 0.100 0.000 1.176 148 Q CA -2.084 53.746 55.803 0.045 0.000 1.024 148 Q CB 1.378 30.132 28.738 0.027 0.000 1.215 148 Q HN -0.009 nan 8.270 nan 0.000 0.542 149 P HA -0.140 nan 4.420 nan 0.000 0.221 149 P C 0.458 177.795 177.300 0.062 0.000 1.145 149 P CA 1.103 64.237 63.100 0.058 0.000 0.795 149 P CB 0.322 32.036 31.700 0.023 0.000 0.775 150 S N -1.538 114.204 115.700 0.070 0.000 2.489 150 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 150 S C 0.586 175.229 174.600 0.073 0.000 0.995 150 S CA -0.271 57.963 58.200 0.056 0.000 0.934 150 S CB -1.075 62.153 63.200 0.046 0.000 0.771 150 S HN 0.077 nan 8.310 nan 0.000 0.522 151 F N 3.682 123.607 119.950 -0.041 0.000 2.504 151 F HA 0.507 5.034 4.527 -0.000 0.000 0.369 151 F C 1.018 176.769 175.800 -0.082 0.000 1.082 151 F CA -0.347 57.613 58.000 -0.067 0.000 1.216 151 F CB -0.254 38.704 39.000 -0.070 0.000 1.108 151 F HN 0.380 nan 8.300 nan 0.000 0.554 152 A N 4.794 127.070 122.820 -0.905 0.000 5.391 152 A HA -0.350 3.970 4.320 -0.000 0.000 0.315 152 A C 1.019 178.413 177.584 -0.317 0.000 1.874 152 A CA 1.535 53.119 52.037 -0.755 0.000 0.714 152 A CB -1.505 16.850 19.000 -1.075 0.000 1.335 152 A HN 0.814 nan 8.150 nan 0.000 0.382 153 E N 0.760 120.818 120.200 -0.236 0.000 2.734 153 E HA 0.236 4.586 4.350 -0.000 0.000 0.211 153 E C 0.359 176.932 176.600 -0.045 0.000 0.991 153 E CA 0.384 56.740 56.400 -0.073 0.000 1.065 153 E CB -0.021 29.683 29.700 0.007 0.000 1.047 153 E HN 0.644 nan 8.360 nan 0.000 0.470 154 N N 0.595 119.253 118.700 -0.070 0.000 2.681 154 N HA -0.243 4.497 4.740 -0.000 0.000 0.250 154 N C 0.703 176.159 175.510 -0.091 0.000 1.133 154 N CA 0.428 53.463 53.050 -0.026 0.000 0.732 154 N CB -0.684 37.804 38.487 0.003 0.000 1.107 154 N HN 0.543 nan 8.380 nan 0.000 0.559 155 G N 0.278 109.007 108.800 -0.118 0.000 2.258 155 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.274 155 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.274 155 G C 0.218 175.120 174.900 0.003 0.000 1.021 155 G CA 0.824 45.855 45.100 -0.116 0.000 0.798 155 G HN 0.634 nan 8.290 nan 0.000 0.507 156 R N -1.121 119.393 120.500 0.024 0.000 2.638 156 R HA 0.283 4.623 4.340 -0.000 0.000 0.268 156 R C 0.203 176.550 176.300 0.079 0.000 1.006 156 R CA -0.066 56.046 56.100 0.021 0.000 1.088 156 R CB 0.361 30.627 30.300 -0.058 0.000 0.950 156 R HN 0.293 nan 8.270 nan 0.000 0.419 157 L N 4.450 125.675 121.223 0.004 0.000 2.319 157 L HA 0.345 4.685 4.340 -0.000 0.000 0.281 157 L C -1.564 175.198 176.870 -0.180 0.000 1.005 157 L CA -0.361 54.484 54.840 0.009 0.000 0.828 157 L CB 0.918 42.973 42.059 -0.006 0.000 1.227 157 L HN 0.399 nan 8.230 nan 0.000 0.415 158 Y N 2.432 122.769 120.300 0.060 0.000 2.387 158 Y HA 0.434 4.984 4.550 -0.000 0.000 0.336 158 Y C -0.140 175.844 175.900 0.140 0.000 1.067 158 Y CA -0.616 57.529 58.100 0.075 0.000 1.114 158 Y CB 1.557 40.079 38.460 0.103 0.000 1.208 158 Y HN 0.535 nan 8.280 nan 0.000 0.458 159 D N 3.088 123.667 120.400 0.297 0.000 2.493 159 D HA 0.096 4.736 4.640 -0.000 0.000 0.235 159 D C -0.201 176.301 176.300 0.337 0.000 1.117 159 D CA -0.289 53.964 54.000 0.422 0.000 0.930 159 D CB -0.309 40.677 40.800 0.309 0.000 1.010 159 D HN 0.607 nan 8.370 nan 0.000 0.514 160 N N 3.326 122.223 118.700 0.329 0.000 2.725 160 N HA -0.240 4.500 4.740 -0.000 0.000 0.251 160 N C 0.954 176.563 175.510 0.164 0.000 1.031 160 N CA 1.951 55.125 53.050 0.205 0.000 0.720 160 N CB -1.120 37.458 38.487 0.151 0.000 0.930 160 N HN 0.775 nan 8.380 nan 0.000 0.543 161 G N -2.522 106.387 108.800 0.182 0.000 2.308 161 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.221 161 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.221 161 G C 0.271 175.319 174.900 0.247 0.000 1.032 161 G CA 0.297 45.474 45.100 0.130 0.000 0.623 161 G HN 0.723 nan 8.290 nan 0.000 0.506 162 T N 3.093 117.798 114.554 0.252 0.000 2.749 162 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 162 T C 0.520 175.359 174.700 0.231 0.000 0.936 162 T CA -0.345 61.888 62.100 0.222 0.000 1.060 162 T CB 1.391 70.341 68.868 0.136 0.000 0.904 162 T HN 0.376 nan 8.240 nan 0.000 0.500 163 L N 5.500 126.825 121.223 0.170 0.000 2.534 163 L HA 0.118 4.457 4.340 -0.000 0.000 0.271 163 L C 0.871 177.655 176.870 -0.143 0.000 1.178 163 L CA 0.182 54.920 54.840 -0.169 0.000 0.907 163 L CB 0.299 42.257 42.059 -0.167 0.000 1.164 163 L HN 0.790 nan 8.230 nan 0.000 0.482 164 L N 4.599 125.689 121.223 -0.221 0.000 2.200 164 L HA 0.294 4.634 4.340 -0.000 0.000 0.200 164 L C 0.903 177.703 176.870 -0.117 0.000 1.072 164 L CA 0.699 55.445 54.840 -0.158 0.000 0.787 164 L CB 0.175 42.097 42.059 -0.229 0.000 0.957 164 L HN 0.802 nan 8.230 nan 0.000 0.459 165 G N -1.594 107.137 108.800 -0.115 0.000 2.338 165 G HA2 0.428 4.387 3.960 -0.000 0.000 0.295 165 G HA3 0.428 4.387 3.960 -0.000 0.000 0.295 165 G C -1.476 173.482 174.900 0.096 0.000 1.461 165 G CA -0.108 44.997 45.100 0.008 0.000 0.817 165 G HN 0.174 nan 8.290 nan 0.000 0.556 166 G N -1.811 107.049 108.800 0.100 0.000 2.685 166 G HA2 0.509 4.469 3.960 -0.000 0.000 0.298 166 G HA3 0.509 4.469 3.960 -0.000 0.000 0.298 166 G C 0.166 174.994 174.900 -0.119 0.000 1.277 166 G CA -0.357 44.744 45.100 0.002 0.000 0.986 166 G HN 0.626 nan 8.290 nan 0.000 0.487 167 Y N 0.306 120.309 120.300 -0.494 0.000 2.242 167 Y HA 0.090 4.640 4.550 -0.000 0.000 0.291 167 Y C 1.881 177.705 175.900 -0.128 0.000 1.137 167 Y CA 1.208 58.993 58.100 -0.524 0.000 1.181 167 Y CB -0.028 38.135 38.460 -0.495 0.000 0.989 167 Y HN 0.306 nan 8.280 nan 0.000 0.527 168 T N 1.742 116.244 114.554 -0.085 0.000 2.869 168 T HA 0.101 4.451 4.350 -0.000 0.000 0.295 168 T C -0.071 174.563 174.700 -0.111 0.000 0.987 168 T CA -0.108 61.924 62.100 -0.113 0.000 1.109 168 T CB 0.419 69.258 68.868 -0.047 0.000 0.932 168 T HN 0.371 nan 8.240 nan 0.000 0.518 169 N N 2.242 120.851 118.700 -0.152 0.000 2.708 169 N HA -0.175 4.565 4.740 -0.000 0.000 0.255 169 N C -0.939 174.516 175.510 -0.092 0.000 1.046 169 N CA 0.303 53.279 53.050 -0.123 0.000 0.715 169 N CB -0.772 37.668 38.487 -0.078 0.000 0.895 169 N HN 0.661 nan 8.380 nan 0.000 0.545 170 D N -0.381 119.946 120.400 -0.122 0.000 2.631 170 D HA 0.193 4.833 4.640 -0.000 0.000 0.227 170 D C 1.529 177.814 176.300 -0.026 0.000 1.146 170 D CA 0.388 54.390 54.000 0.003 0.000 1.009 170 D CB -0.071 40.849 40.800 0.201 0.000 1.057 170 D HN 0.419 nan 8.370 nan 0.000 0.509 171 T N -0.395 114.139 114.554 -0.034 0.000 2.867 171 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 171 T C 1.663 176.351 174.700 -0.019 0.000 1.057 171 T CA 0.944 63.020 62.100 -0.040 0.000 1.136 171 T CB -0.175 68.669 68.868 -0.039 0.000 0.874 171 T HN 0.305 nan 8.240 nan 0.000 0.466 172 Q N 0.785 120.583 119.800 -0.004 0.000 2.297 172 Q HA 0.100 4.440 4.340 -0.000 0.000 0.204 172 Q C 0.289 176.282 176.000 -0.011 0.000 0.962 172 Q CA 0.318 56.115 55.803 -0.011 0.000 0.879 172 Q CB -0.156 28.570 28.738 -0.020 0.000 0.947 172 Q HN 0.693 nan 8.270 nan 0.000 0.462 173 N N -0.997 117.719 118.700 0.027 0.000 2.780 173 N HA -0.172 4.568 4.740 -0.000 0.000 0.247 173 N C -0.046 175.443 175.510 -0.034 0.000 1.076 173 N CA -0.060 53.018 53.050 0.046 0.000 0.688 173 N CB -0.882 37.616 38.487 0.017 0.000 0.957 173 N HN 0.198 nan 8.380 nan 0.000 0.551 174 L N -1.271 119.915 121.223 -0.063 0.000 2.313 174 L HA 0.145 4.485 4.340 -0.000 0.000 0.214 174 L C 0.478 176.939 176.870 -0.682 0.000 1.119 174 L CA 0.783 55.379 54.840 -0.408 0.000 0.809 174 L CB -0.105 41.606 42.059 -0.581 0.000 0.933 174 L HN 0.147 nan 8.230 nan 0.000 0.449 175 F N -2.451 117.422 119.950 -0.129 0.000 2.613 175 F HA 0.401 4.928 4.527 -0.000 0.000 0.342 175 F C 0.282 175.891 175.800 -0.318 0.000 1.066 175 F CA -1.063 56.800 58.000 -0.228 0.000 1.002 175 F CB 0.622 39.603 39.000 -0.032 0.000 1.319 175 F HN -0.245 nan 8.300 nan 0.000 0.495 176 H N -0.246 118.816 119.070 -0.014 0.000 2.473 176 H HA 0.338 4.894 4.556 -0.000 0.000 0.327 176 H C -0.604 174.575 175.328 -0.249 0.000 1.105 176 H CA -0.481 55.526 56.048 -0.069 0.000 1.280 176 H CB 0.810 30.577 29.762 0.008 0.000 1.450 176 H HN 0.466 nan 8.280 nan 0.000 0.492 177 H N 2.883 122.075 119.070 0.203 0.000 2.534 177 H HA 0.132 4.688 4.556 -0.000 0.000 0.250 177 H C -0.146 175.202 175.328 0.033 0.000 1.256 177 H CA -0.223 55.873 56.048 0.080 0.000 1.000 177 H CB 0.223 29.939 29.762 -0.078 0.000 1.801 177 H HN 0.678 nan 8.280 nan 0.000 0.569 178 N N 0.988 119.742 118.700 0.091 0.000 2.275 178 N HA 0.153 4.893 4.740 -0.000 0.000 0.236 178 N C 1.125 176.628 175.510 -0.011 0.000 1.154 178 N CA 0.480 53.535 53.050 0.008 0.000 0.866 178 N CB 2.040 40.495 38.487 -0.054 0.000 1.093 178 N HN 0.586 nan 8.380 nan 0.000 0.515 179 G N 0.150 108.964 108.800 0.024 0.000 2.693 179 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.226 179 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.226 179 G C -0.107 174.758 174.900 -0.059 0.000 1.354 179 G CA -0.502 44.592 45.100 -0.010 0.000 0.873 179 G HN 0.434 nan 8.290 nan 0.000 0.562 180 G N -1.268 107.473 108.800 -0.098 0.000 2.434 180 G HA2 0.717 4.677 3.960 -0.000 0.000 0.330 180 G HA3 0.717 4.677 3.960 -0.000 0.000 0.330 180 G C 0.219 174.975 174.900 -0.239 0.000 1.155 180 G CA 1.001 45.996 45.100 -0.174 0.000 0.917 180 G HN 1.422 nan 8.290 nan 0.000 0.493 181 T N -1.233 113.084 114.554 -0.394 0.000 2.899 181 T HA 0.269 4.619 4.350 -0.000 0.000 0.295 181 T C 0.780 175.177 174.700 -0.505 0.000 1.033 181 T CA 0.192 61.994 62.100 -0.497 0.000 1.084 181 T CB 0.913 69.344 68.868 -0.728 0.000 0.979 181 T HN 0.574 nan 8.240 nan 0.000 0.532 182 D N 1.669 121.867 120.400 -0.336 0.000 2.433 182 D HA 0.098 4.738 4.640 -0.000 0.000 0.211 182 D C 0.559 176.890 176.300 0.052 0.000 1.114 182 D CA -0.346 53.586 54.000 -0.113 0.000 0.837 182 D CB -0.573 40.198 40.800 -0.048 0.000 0.984 182 D HN 0.589 nan 8.370 nan 0.000 0.505 183 F N 0.254 120.145 119.950 -0.099 0.000 2.953 183 F HA -0.332 4.195 4.527 -0.000 0.000 0.292 183 F C 2.005 177.767 175.800 -0.063 0.000 0.747 183 F CA 0.676 58.625 58.000 -0.086 0.000 1.222 183 F CB -2.419 36.527 39.000 -0.091 0.000 1.457 183 F HN 0.155 nan 8.300 nan 0.000 0.383 184 S N -0.790 114.938 115.700 0.048 0.000 2.343 184 S HA -0.048 4.422 4.470 -0.000 0.000 0.219 184 S C 1.108 175.719 174.600 0.019 0.000 1.033 184 S CA 1.401 59.618 58.200 0.028 0.000 1.014 184 S CB -0.346 62.851 63.200 -0.005 0.000 0.915 184 S HN 0.688 nan 8.310 nan 0.000 0.435 185 T N -3.200 111.342 114.554 -0.020 0.000 2.916 185 T HA 0.548 4.898 4.350 -0.000 0.000 0.292 185 T C 0.789 175.456 174.700 -0.055 0.000 1.064 185 T CA -0.189 61.898 62.100 -0.022 0.000 1.011 185 T CB 1.334 70.175 68.868 -0.045 0.000 1.152 185 T HN 0.041 nan 8.240 nan 0.000 0.510 186 T N 0.438 114.977 114.554 -0.024 0.000 2.708 186 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 186 T C 1.663 176.227 174.700 -0.227 0.000 1.037 186 T CA 1.829 63.898 62.100 -0.051 0.000 1.146 186 T CB -0.463 68.490 68.868 0.143 0.000 0.865 186 T HN 0.839 nan 8.240 nan 0.000 0.435 187 E N 1.113 121.091 120.200 -0.370 0.000 2.085 187 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 187 E C 2.291 178.720 176.600 -0.284 0.000 0.994 187 E CA 1.032 57.046 56.400 -0.643 0.000 0.801 187 E CB -0.185 28.977 29.700 -0.897 0.000 0.743 187 E HN 0.371 nan 8.360 nan 0.000 0.453 188 N N 0.266 118.838 118.700 -0.214 0.000 2.069 188 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 188 N C 1.894 177.276 175.510 -0.214 0.000 1.031 188 N CA 1.677 54.624 53.050 -0.172 0.000 0.852 188 N CB -0.414 37.985 38.487 -0.147 0.000 1.018 188 N HN 0.240 nan 8.380 nan 0.000 0.423 189 G N 0.102 108.765 108.800 -0.229 0.000 2.679 189 G HA2 0.019 3.979 3.960 -0.000 0.000 0.212 189 G HA3 0.019 3.979 3.960 -0.000 0.000 0.212 189 G C 1.651 176.467 174.900 -0.140 0.000 1.137 189 G CA 0.006 44.980 45.100 -0.210 0.000 0.787 189 G HN 0.328 nan 8.290 nan 0.000 0.534 190 I N -1.321 119.073 120.570 -0.293 0.000 2.512 190 I HA 0.089 4.259 4.170 -0.000 0.000 0.247 190 I C 1.180 176.964 176.117 -0.555 0.000 1.094 190 I CA 0.439 61.458 61.300 -0.469 0.000 1.427 190 I CB 0.206 37.767 38.000 -0.732 0.000 1.149 190 I HN 0.084 nan 8.210 nan 0.000 0.438 191 Y N 1.554 121.714 120.300 -0.233 0.000 2.583 191 Y HA 0.302 4.852 4.550 -0.000 0.000 0.294 191 Y C 0.333 176.017 175.900 -0.360 0.000 1.170 191 Y CA -0.127 57.726 58.100 -0.411 0.000 1.265 191 Y CB -0.255 37.952 38.460 -0.422 0.000 1.119 191 Y HN -0.060 nan 8.280 nan 0.000 0.522 192 K N 0.170 120.475 120.400 -0.159 0.000 2.443 192 K HA 0.310 4.630 4.320 -0.000 0.000 0.251 192 K C -0.833 175.662 176.600 -0.175 0.000 0.972 192 K CA -1.259 54.938 56.287 -0.150 0.000 0.833 192 K CB 1.285 33.675 32.500 -0.182 0.000 1.317 192 K HN -0.088 nan 8.250 nan 0.000 0.441 193 N N 1.810 120.413 118.700 -0.162 0.000 2.492 193 N HA 0.013 4.753 4.740 -0.000 0.000 0.262 193 N C -0.466 174.822 175.510 -0.369 0.000 1.202 193 N CA 0.015 52.942 53.050 -0.206 0.000 0.926 193 N CB 0.439 38.828 38.487 -0.164 0.000 1.078 193 N HN 0.429 nan 8.380 nan 0.000 0.454 194 L N 4.945 125.905 121.223 -0.439 0.000 2.433 194 L HA 0.065 4.405 4.340 -0.000 0.000 0.284 194 L C -0.037 176.532 176.870 -0.502 0.000 1.120 194 L CA 0.149 54.559 54.840 -0.716 0.000 0.879 194 L CB -0.820 40.819 42.059 -0.701 0.000 1.232 194 L HN 0.511 nan 8.230 nan 0.000 0.454 195 F N 1.339 121.136 119.950 -0.255 0.000 2.187 195 F HA -0.403 4.124 4.527 -0.000 0.000 0.326 195 F C 1.378 177.068 175.800 -0.184 0.000 0.813 195 F CA 1.580 59.471 58.000 -0.181 0.000 0.913 195 F CB -1.083 37.820 39.000 -0.162 0.000 4.114 195 F HN 0.685 nan 8.300 nan 0.000 0.139 196 D N 1.122 121.574 120.400 0.085 0.000 2.479 196 D HA 0.277 4.916 4.640 -0.000 0.000 0.218 196 D C -0.053 176.169 176.300 -0.130 0.000 1.177 196 D CA 0.135 54.112 54.000 -0.038 0.000 0.830 196 D CB -0.635 40.169 40.800 0.007 0.000 1.014 196 D HN 0.417 nan 8.370 nan 0.000 0.503 197 L N 1.229 122.361 121.223 -0.151 0.000 2.410 197 L HA 0.411 4.751 4.340 -0.000 0.000 0.273 197 L C 0.806 177.524 176.870 -0.255 0.000 1.152 197 L CA -0.872 53.836 54.840 -0.220 0.000 0.855 197 L CB 0.830 42.681 42.059 -0.347 0.000 1.129 197 L HN -0.005 nan 8.230 nan 0.000 0.463 198 A N 2.516 125.158 122.820 -0.297 0.000 2.505 198 A HA 0.043 4.363 4.320 -0.000 0.000 0.271 198 A C -0.093 177.524 177.584 0.055 0.000 1.112 198 A CA -0.260 51.535 52.037 -0.404 0.000 0.781 198 A CB -0.376 18.292 19.000 -0.553 0.000 1.059 198 A HN 0.718 nan 8.150 nan 0.000 0.508 199 D N 2.554 122.977 120.400 0.038 0.000 2.343 199 D HA 0.335 4.975 4.640 -0.000 0.000 0.255 199 D C 0.102 176.406 176.300 0.006 0.000 1.187 199 D CA 0.261 54.314 54.000 0.088 0.000 0.875 199 D CB 0.368 41.236 40.800 0.114 0.000 1.136 199 D HN 0.478 nan 8.370 nan 0.000 0.469 200 L N 3.407 124.521 121.223 -0.183 0.000 2.439 200 L HA 0.162 4.502 4.340 -0.000 0.000 0.269 200 L C 0.667 177.009 176.870 -0.880 0.000 1.179 200 L CA -0.353 54.135 54.840 -0.587 0.000 0.828 200 L CB 0.503 42.154 42.059 -0.680 0.000 1.106 200 L HN 0.411 nan 8.230 nan 0.000 0.467 201 N N 0.883 119.030 118.700 -0.922 0.000 2.678 201 N HA 0.119 4.859 4.740 -0.000 0.000 0.231 201 N C 0.429 175.550 175.510 -0.649 0.000 1.038 201 N CA -0.323 52.226 53.050 -0.835 0.000 0.932 201 N CB 0.369 38.482 38.487 -0.622 0.000 1.176 201 N HN 0.424 nan 8.380 nan 0.000 0.511 202 H N 1.042 119.841 119.070 -0.453 0.000 2.561 202 H HA 0.015 4.571 4.556 -0.000 0.000 0.278 202 H C 1.138 176.325 175.328 -0.235 0.000 1.014 202 H CA 0.622 56.323 56.048 -0.578 0.000 1.211 202 H CB 0.175 29.141 29.762 -1.327 0.000 1.365 202 H HN 0.513 nan 8.280 nan 0.000 0.594 203 N N 0.621 119.315 118.700 -0.010 0.000 2.467 203 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 203 N C 0.075 175.604 175.510 0.032 0.000 1.106 203 N CA -0.012 53.088 53.050 0.083 0.000 0.892 203 N CB 0.095 38.668 38.487 0.143 0.000 0.969 203 N HN 0.167 nan 8.380 nan 0.000 0.454 204 N N 0.115 118.784 118.700 -0.053 0.000 2.422 204 N HA 0.068 4.808 4.740 -0.000 0.000 0.264 204 N C 0.251 175.751 175.510 -0.015 0.000 1.063 204 N CA 0.167 53.183 53.050 -0.057 0.000 0.959 204 N CB 1.166 39.570 38.487 -0.138 0.000 1.087 204 N HN -0.014 nan 8.380 nan 0.000 0.483 205 S N 2.334 118.047 115.700 0.023 0.000 2.387 205 S HA -0.143 4.327 4.470 -0.000 0.000 0.230 205 S C 1.573 176.208 174.600 0.058 0.000 1.035 205 S CA 1.754 59.990 58.200 0.059 0.000 1.014 205 S CB -0.119 63.116 63.200 0.058 0.000 0.836 205 S HN 0.731 nan 8.310 nan 0.000 0.466 206 T N 1.923 116.486 114.554 0.014 0.000 2.652 206 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 206 T C 1.943 176.662 174.700 0.032 0.000 1.039 206 T CA 1.427 63.534 62.100 0.012 0.000 1.153 206 T CB -0.483 68.358 68.868 -0.046 0.000 0.863 206 T HN 0.213 nan 8.240 nan 0.000 0.428 207 V N 1.764 121.647 119.914 -0.052 0.000 2.295 207 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 207 V C 2.386 178.546 176.094 0.110 0.000 1.049 207 V CA 2.111 64.368 62.300 -0.072 0.000 1.024 207 V CB -0.714 30.927 31.823 -0.305 0.000 0.648 207 V HN 0.521 nan 8.190 nan 0.000 0.447 208 D N 0.222 120.708 120.400 0.144 0.000 2.087 208 D HA -0.179 4.461 4.640 -0.000 0.000 0.192 208 D C 1.989 178.505 176.300 0.361 0.000 0.993 208 D CA 2.023 56.246 54.000 0.372 0.000 0.828 208 D CB -0.195 40.830 40.800 0.376 0.000 0.968 208 D HN 0.186 nan 8.370 nan 0.000 0.448 209 V N -0.179 119.878 119.914 0.239 0.000 2.343 209 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 209 V C 2.173 178.388 176.094 0.202 0.000 1.051 209 V CA 1.945 64.356 62.300 0.186 0.000 1.036 209 V CB -0.980 30.923 31.823 0.133 0.000 0.654 209 V HN 0.351 nan 8.190 nan 0.000 0.451 210 Y N 0.647 121.008 120.300 0.103 0.000 2.097 210 Y HA -0.252 4.298 4.550 -0.000 0.000 0.282 210 Y C 2.263 178.253 175.900 0.150 0.000 1.152 210 Y CA 1.822 59.983 58.100 0.103 0.000 1.136 210 Y CB -0.336 38.165 38.460 0.069 0.000 0.975 210 Y HN 0.123 nan 8.280 nan 0.000 0.498 211 L N 0.340 121.710 121.223 0.245 0.000 2.042 211 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 211 L C 2.387 179.447 176.870 0.317 0.000 1.076 211 L CA 1.987 56.980 54.840 0.254 0.000 0.749 211 L CB -0.575 41.761 42.059 0.462 0.000 0.893 211 L HN 0.264 nan 8.230 nan 0.000 0.432 212 K N -0.548 120.009 120.400 0.262 0.000 2.211 212 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 212 K C 1.540 178.099 176.600 -0.069 0.000 1.050 212 K CA 1.059 57.374 56.287 0.046 0.000 0.945 212 K CB -0.138 32.350 32.500 -0.020 0.000 0.732 212 K HN 0.260 nan 8.250 nan 0.000 0.451 213 D N 1.137 121.510 120.400 -0.045 0.000 2.123 213 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 213 D C 1.936 178.175 176.300 -0.101 0.000 0.976 213 D CA 1.122 55.062 54.000 -0.100 0.000 0.831 213 D CB -0.129 40.630 40.800 -0.068 0.000 0.974 213 D HN 0.162 nan 8.370 nan 0.000 0.469 214 A N 0.902 123.674 122.820 -0.081 0.000 1.883 214 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 214 A C 2.212 179.926 177.584 0.217 0.000 1.186 214 A CA 1.034 53.104 52.037 0.055 0.000 0.624 214 A CB -0.735 18.326 19.000 0.102 0.000 0.822 214 A HN 0.209 nan 8.150 nan 0.000 0.444 215 I N -0.405 120.253 120.570 0.147 0.000 2.361 215 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 215 I C 2.076 178.188 176.117 -0.008 0.000 1.133 215 I CA 1.694 62.986 61.300 -0.013 0.000 1.413 215 I CB -0.364 37.498 38.000 -0.229 0.000 1.073 215 I HN 0.232 nan 8.210 nan 0.000 0.424 216 K N -0.262 120.075 120.400 -0.104 0.000 2.097 216 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 216 K C 2.165 178.734 176.600 -0.052 0.000 1.049 216 K CA 1.991 58.187 56.287 -0.153 0.000 0.933 216 K CB -0.366 31.892 32.500 -0.404 0.000 0.717 216 K HN 0.469 nan 8.250 nan 0.000 0.442 217 M N -0.733 118.797 119.600 -0.117 0.000 2.065 217 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 217 M C 1.353 177.497 176.300 -0.261 0.000 1.069 217 M CA 1.873 57.027 55.300 -0.244 0.000 1.110 217 M CB -0.312 32.031 32.600 -0.428 0.000 1.328 217 M HN 0.181 nan 8.290 nan 0.000 0.405 218 W N 0.809 122.091 121.300 -0.030 0.000 2.374 218 W HA -0.056 4.604 4.660 0.000 0.000 0.288 218 W C 2.113 178.653 176.519 0.035 0.000 1.218 218 W CA 0.773 58.099 57.345 -0.033 0.000 1.245 218 W CB -0.594 28.824 29.460 -0.070 0.000 1.126 218 W HN 0.229 nan 8.180 nan 0.000 0.545 219 L N -0.038 121.316 121.223 0.218 0.000 2.046 219 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 219 L C 1.935 178.911 176.870 0.177 0.000 1.077 219 L CA 1.260 56.219 54.840 0.199 0.000 0.747 219 L CB -0.790 41.404 42.059 0.225 0.000 0.896 219 L HN -0.094 nan 8.230 nan 0.000 0.432 220 D N 0.053 120.546 120.400 0.154 0.000 2.263 220 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 220 D C 2.114 178.468 176.300 0.089 0.000 0.971 220 D CA 1.028 55.094 54.000 0.111 0.000 0.867 220 D CB -0.018 40.832 40.800 0.082 0.000 0.929 220 D HN 0.290 nan 8.370 nan 0.000 0.492 221 L N -0.701 120.588 121.223 0.110 0.000 2.599 221 L HA 0.137 4.477 4.340 -0.000 0.000 0.230 221 L C 1.389 178.395 176.870 0.226 0.000 1.141 221 L CA 0.399 55.338 54.840 0.165 0.000 0.877 221 L CB 0.070 42.236 42.059 0.178 0.000 1.009 221 L HN 0.126 nan 8.230 nan 0.000 0.447 222 G N 0.850 109.771 108.800 0.201 0.000 2.131 222 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.223 222 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.223 222 G C 0.428 175.473 174.900 0.241 0.000 0.990 222 G CA 0.131 45.350 45.100 0.199 0.000 0.671 222 G HN 0.422 nan 8.290 nan 0.000 0.521 223 I N -2.414 118.324 120.570 0.279 0.000 2.892 223 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 223 I C 0.677 176.951 176.117 0.262 0.000 1.205 223 I CA 0.178 61.644 61.300 0.276 0.000 1.409 223 I CB 0.552 38.730 38.000 0.297 0.000 1.367 223 I HN -0.044 nan 8.210 nan 0.000 0.597 224 D N 3.458 124.039 120.400 0.302 0.000 2.392 224 D HA 0.243 4.883 4.640 -0.000 0.000 0.206 224 D C 0.687 177.243 176.300 0.427 0.000 1.046 224 D CA 0.468 54.688 54.000 0.367 0.000 0.865 224 D CB 1.113 42.159 40.800 0.409 0.000 0.969 224 D HN 0.848 nan 8.370 nan 0.000 0.509 225 G N 0.302 109.274 108.800 0.287 0.000 2.623 225 G HA2 0.581 4.541 3.960 -0.000 0.000 0.290 225 G HA3 0.581 4.541 3.960 -0.000 0.000 0.290 225 G C -1.749 173.151 174.900 -0.000 0.000 1.437 225 G CA -0.674 44.505 45.100 0.131 0.000 0.798 225 G HN -0.014 nan 8.290 nan 0.000 0.488 226 I N 0.049 120.523 120.570 -0.161 0.000 2.582 226 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 226 I C -0.154 175.546 176.117 -0.695 0.000 1.066 226 I CA -0.819 60.312 61.300 -0.282 0.000 1.053 226 I CB 2.644 40.541 38.000 -0.172 0.000 1.241 226 I HN 0.304 nan 8.210 nan 0.000 0.421 227 R N 6.774 126.846 120.500 -0.713 0.000 2.272 227 R HA 0.461 4.801 4.340 -0.000 0.000 0.323 227 R C -1.054 175.001 176.300 -0.409 0.000 1.002 227 R CA -0.723 54.751 56.100 -1.042 0.000 0.900 227 R CB 0.857 30.369 30.300 -1.313 0.000 1.151 227 R HN 0.580 nan 8.270 nan 0.000 0.507 228 M N 3.140 122.557 119.600 -0.305 0.000 2.184 228 M HA 0.042 4.522 4.480 -0.000 0.000 0.351 228 M C -0.090 176.229 176.300 0.031 0.000 1.395 228 M CA 0.010 55.285 55.300 -0.042 0.000 1.117 228 M CB 0.491 33.095 32.600 0.006 0.000 1.708 228 M HN 0.457 nan 8.290 nan 0.000 0.468 229 D N 2.789 123.258 120.400 0.114 0.000 2.302 229 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 229 D C 0.299 176.685 176.300 0.142 0.000 1.094 229 D CA 0.207 54.315 54.000 0.179 0.000 0.897 229 D CB 0.829 41.802 40.800 0.289 0.000 1.200 229 D HN 0.828 nan 8.370 nan 0.000 0.429 230 A N 2.650 125.565 122.820 0.160 0.000 2.415 230 A HA -0.166 4.154 4.320 -0.000 0.000 0.292 230 A C 1.435 179.058 177.584 0.065 0.000 1.452 230 A CA 0.948 53.090 52.037 0.175 0.000 0.750 230 A CB -2.227 16.930 19.000 0.260 0.000 1.099 230 A HN 1.099 nan 8.150 nan 0.000 0.391 231 V N -1.118 118.778 119.914 -0.030 0.000 2.970 231 V HA -0.112 4.008 4.120 -0.000 0.000 0.260 231 V C 1.927 177.828 176.094 -0.322 0.000 1.100 231 V CA 2.329 64.570 62.300 -0.098 0.000 1.122 231 V CB -0.533 31.241 31.823 -0.080 0.000 0.721 231 V HN 0.770 nan 8.190 nan 0.000 0.483 232 K N -0.367 119.655 120.400 -0.631 0.000 2.439 232 K HA -0.125 4.195 4.320 -0.000 0.000 0.197 232 K C 1.388 177.441 176.600 -0.911 0.000 1.041 232 K CA 1.198 56.763 56.287 -1.204 0.000 0.970 232 K CB -0.196 31.335 32.500 -1.616 0.000 0.773 232 K HN 0.717 nan 8.250 nan 0.000 0.479 233 H N -0.543 118.352 119.070 -0.292 0.000 2.542 233 H HA 0.254 4.810 4.556 -0.000 0.000 0.283 233 H C -0.102 175.088 175.328 -0.231 0.000 1.059 233 H CA -0.012 55.881 56.048 -0.259 0.000 1.162 233 H CB 0.305 29.945 29.762 -0.203 0.000 1.539 233 H HN 0.137 nan 8.280 nan 0.000 0.543 234 M N 1.283 120.814 119.600 -0.115 0.000 2.530 234 M HA 0.344 4.824 4.480 -0.000 0.000 0.307 234 M C -2.591 173.613 176.300 -0.161 0.000 1.161 234 M CA -2.021 53.207 55.300 -0.120 0.000 0.903 234 M CB 2.688 35.258 32.600 -0.050 0.000 1.711 234 M HN -0.217 nan 8.290 nan 0.000 0.451 235 P HA -0.014 nan 4.420 nan 0.000 0.263 235 P C -0.064 177.311 177.300 0.125 0.000 1.195 235 P CA 0.160 63.154 63.100 -0.176 0.000 0.762 235 P CB 0.057 31.770 31.700 0.023 0.000 0.799 236 F N 2.538 122.608 119.950 0.199 0.000 2.171 236 F HA -0.083 4.444 4.527 -0.000 0.000 0.300 236 F C 2.537 178.454 175.800 0.194 0.000 1.090 236 F CA 1.597 59.787 58.000 0.318 0.000 1.293 236 F CB -2.161 37.089 39.000 0.416 0.000 1.013 236 F HN 0.357 nan 8.300 nan 0.000 0.486 237 G N -1.016 107.943 108.800 0.266 0.000 2.446 237 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 237 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 237 G C 1.589 176.617 174.900 0.213 0.000 1.168 237 G CA 0.701 45.925 45.100 0.207 0.000 0.771 237 G HN 0.486 nan 8.290 nan 0.000 0.551 238 W N 1.440 122.795 121.300 0.091 0.000 2.358 238 W HA -0.086 4.574 4.660 -0.000 0.000 0.303 238 W C 2.883 179.465 176.519 0.105 0.000 1.208 238 W CA 1.764 59.157 57.345 0.080 0.000 1.274 238 W CB -0.125 29.338 29.460 0.005 0.000 1.138 238 W HN 0.296 nan 8.180 nan 0.000 0.515 239 Q N 0.231 120.129 119.800 0.164 0.000 2.096 239 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 239 Q C 2.198 178.155 176.000 -0.072 0.000 0.982 239 Q CA 1.978 57.789 55.803 0.014 0.000 0.850 239 Q CB -0.513 28.421 28.738 0.327 0.000 0.901 239 Q HN 0.366 nan 8.270 nan 0.000 0.422 240 K N 0.823 121.207 120.400 -0.027 0.000 2.026 240 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 240 K C 2.315 178.852 176.600 -0.106 0.000 1.048 240 K CA 1.680 57.927 56.287 -0.066 0.000 0.929 240 K CB -0.108 32.376 32.500 -0.026 0.000 0.713 240 K HN 0.212 nan 8.250 nan 0.000 0.439 241 S N -0.126 115.488 115.700 -0.144 0.000 2.419 241 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 241 S C 1.852 176.291 174.600 -0.269 0.000 1.016 241 S CA 0.825 58.919 58.200 -0.177 0.000 0.974 241 S CB -0.556 62.558 63.200 -0.143 0.000 0.786 241 S HN 0.446 nan 8.310 nan 0.000 0.492 242 F N 1.898 121.490 119.950 -0.596 0.000 2.163 242 F HA 0.155 4.682 4.527 -0.000 0.000 0.297 242 F C 2.249 177.866 175.800 -0.306 0.000 1.094 242 F CA 1.117 58.760 58.000 -0.595 0.000 1.290 242 F CB -0.249 38.162 39.000 -0.982 0.000 1.017 242 F HN 0.086 nan 8.300 nan 0.000 0.483 243 M N 0.503 120.073 119.600 -0.051 0.000 2.159 243 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 243 M C 2.486 178.704 176.300 -0.135 0.000 1.063 243 M CA 1.498 56.758 55.300 -0.066 0.000 1.110 243 M CB -1.971 30.609 32.600 -0.033 0.000 1.374 243 M HN 0.327 nan 8.290 nan 0.000 0.411 244 A N 0.076 122.813 122.820 -0.139 0.000 1.898 244 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 244 A C 2.425 179.929 177.584 -0.132 0.000 1.181 244 A CA 1.953 53.922 52.037 -0.112 0.000 0.620 244 A CB -0.929 18.017 19.000 -0.091 0.000 0.819 244 A HN 0.461 nan 8.150 nan 0.000 0.442 245 A N -0.576 122.116 122.820 -0.213 0.000 1.978 245 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 245 A C 2.218 179.676 177.584 -0.210 0.000 1.170 245 A CA 1.953 53.849 52.037 -0.235 0.000 0.636 245 A CB -0.777 18.008 19.000 -0.358 0.000 0.810 245 A HN 0.371 nan 8.150 nan 0.000 0.448 246 V N 0.609 120.362 119.914 -0.267 0.000 2.273 246 V HA -0.192 3.928 4.120 -0.000 0.000 0.242 246 V C 2.192 178.270 176.094 -0.027 0.000 1.035 246 V CA 1.941 64.143 62.300 -0.164 0.000 1.013 246 V CB -0.938 30.754 31.823 -0.217 0.000 0.652 246 V HN 0.533 nan 8.190 nan 0.000 0.452 247 N N 1.250 119.925 118.700 -0.041 0.000 2.205 247 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 247 N C 1.428 176.947 175.510 0.015 0.000 1.015 247 N CA 1.266 54.316 53.050 -0.000 0.000 0.862 247 N CB -0.534 37.950 38.487 -0.005 0.000 0.986 247 N HN 0.476 nan 8.380 nan 0.000 0.429 248 N N -0.570 118.138 118.700 0.013 0.000 2.467 248 N HA -0.060 4.680 4.740 -0.000 0.000 0.184 248 N C 0.978 176.538 175.510 0.084 0.000 1.106 248 N CA 0.205 53.273 53.050 0.030 0.000 0.892 248 N CB 0.120 38.614 38.487 0.011 0.000 0.969 248 N HN 0.360 nan 8.380 nan 0.000 0.454 249 Y N 1.097 121.361 120.300 -0.059 0.000 2.610 249 Y HA 0.308 4.858 4.550 -0.000 0.000 0.234 249 Y C -0.275 175.606 175.900 -0.031 0.000 1.050 249 Y CA 0.656 58.724 58.100 -0.053 0.000 1.381 249 Y CB 0.472 38.885 38.460 -0.080 0.000 1.187 249 Y HN -0.312 nan 8.280 nan 0.000 0.495 250 K N 2.031 122.353 120.400 -0.130 0.000 2.701 250 K HA 0.308 4.628 4.320 -0.000 0.000 0.212 250 K C -2.882 173.714 176.600 -0.006 0.000 1.035 250 K CA -2.136 54.047 56.287 -0.172 0.000 1.048 250 K CB 1.519 33.859 32.500 -0.266 0.000 1.234 250 K HN 0.059 nan 8.250 nan 0.000 0.540 251 P HA -0.038 nan 4.420 nan 0.000 0.265 251 P C -0.492 176.864 177.300 0.094 0.000 1.193 251 P CA -0.264 62.869 63.100 0.054 0.000 0.765 251 P CB 0.785 32.527 31.700 0.070 0.000 0.823 252 V N 0.481 120.466 119.914 0.119 0.000 2.932 252 V HA 0.451 4.571 4.120 -0.000 0.000 0.307 252 V C -0.583 175.637 176.094 0.210 0.000 1.147 252 V CA -1.362 61.051 62.300 0.189 0.000 0.951 252 V CB 1.570 33.494 31.823 0.168 0.000 1.031 252 V HN 0.326 nan 8.190 nan 0.000 0.426 253 F N 3.378 123.425 119.950 0.162 0.000 2.569 253 F HA 0.463 4.990 4.527 -0.000 0.000 0.395 253 F C 0.533 176.350 175.800 0.027 0.000 1.028 253 F CA 1.208 59.270 58.000 0.105 0.000 1.158 253 F CB 0.052 39.092 39.000 0.066 0.000 1.023 253 F HN 0.795 nan 8.300 nan 0.000 0.547 254 T N 8.177 122.434 114.554 -0.494 0.000 2.841 254 T HA 0.615 4.965 4.350 -0.000 0.000 0.283 254 T C -1.154 173.276 174.700 -0.450 0.000 1.000 254 T CA -0.327 61.523 62.100 -0.416 0.000 0.977 254 T CB 1.058 69.818 68.868 -0.180 0.000 0.979 254 T HN 0.394 nan 8.240 nan 0.000 0.446 255 F N -0.478 119.199 119.950 -0.456 0.000 2.574 255 F HA 0.833 5.360 4.527 -0.000 0.000 0.313 255 F C -0.015 175.722 175.800 -0.104 0.000 1.130 255 F CA -1.401 56.427 58.000 -0.287 0.000 0.936 255 F CB 0.808 39.618 39.000 -0.318 0.000 1.219 255 F HN 0.713 nan 8.300 nan 0.000 0.445 256 G N 0.936 109.805 108.800 0.115 0.000 2.488 256 G HA2 0.453 4.413 3.960 -0.000 0.000 0.318 256 G HA3 0.453 4.413 3.960 -0.000 0.000 0.318 256 G C -1.506 173.523 174.900 0.214 0.000 1.188 256 G CA -0.735 44.433 45.100 0.113 0.000 0.944 256 G HN 0.850 nan 8.290 nan 0.000 0.495 257 E N 0.600 120.914 120.200 0.191 0.000 2.035 257 E HA 0.084 4.434 4.350 -0.000 0.000 0.271 257 E C -1.259 175.470 176.600 0.214 0.000 0.953 257 E CA -0.751 55.824 56.400 0.292 0.000 0.777 257 E CB 0.704 30.589 29.700 0.308 0.000 1.104 257 E HN 0.477 nan 8.360 nan 0.000 0.408 258 W N 7.815 129.135 121.300 0.033 0.000 2.351 258 W HA 0.234 4.894 4.660 -0.000 0.000 0.320 258 W C -1.277 175.069 176.519 -0.289 0.000 0.947 258 W CA -1.467 55.809 57.345 -0.116 0.000 1.565 258 W CB -0.127 29.244 29.460 -0.148 0.000 1.409 258 W HN 0.430 nan 8.180 nan 0.000 0.399 259 F N 5.377 125.104 119.950 -0.372 0.000 2.593 259 F HA 0.082 4.609 4.527 -0.000 0.000 0.393 259 F C -0.234 175.351 175.800 -0.359 0.000 1.037 259 F CA 1.002 58.514 58.000 -0.814 0.000 1.195 259 F CB 0.449 39.152 39.000 -0.496 0.000 1.034 259 F HN 0.114 nan 8.300 nan 0.000 0.552 260 L N 5.747 126.712 121.223 -0.430 0.000 2.365 260 L HA 0.567 4.907 4.340 -0.000 0.000 0.273 260 L C 0.611 177.594 176.870 0.188 0.000 1.000 260 L CA -0.838 54.058 54.840 0.094 0.000 0.819 260 L CB 1.691 43.847 42.059 0.162 0.000 1.284 260 L HN 0.701 nan 8.230 nan 0.000 0.418 261 G N 1.400 110.359 108.800 0.265 0.000 2.525 261 G HA2 0.460 4.420 3.960 -0.000 0.000 0.287 261 G HA3 0.460 4.420 3.960 -0.000 0.000 0.287 261 G C -0.275 174.735 174.900 0.183 0.000 1.350 261 G CA -0.561 44.700 45.100 0.269 0.000 1.039 261 G HN 0.280 nan 8.290 nan 0.000 0.513 262 V N 1.680 121.683 119.914 0.150 0.000 2.585 262 V HA 0.062 4.182 4.120 -0.000 0.000 0.296 262 V C 0.826 176.971 176.094 0.084 0.000 1.035 262 V CA 0.167 62.530 62.300 0.105 0.000 1.084 262 V CB 0.794 32.665 31.823 0.081 0.000 0.953 262 V HN 0.884 nan 8.190 nan 0.000 0.483 263 N N 1.418 120.162 118.700 0.073 0.000 2.815 263 N HA -0.199 4.541 4.740 -0.000 0.000 0.247 263 N C 0.430 175.982 175.510 0.070 0.000 1.030 263 N CA 1.544 54.631 53.050 0.062 0.000 0.881 263 N CB -0.559 37.956 38.487 0.046 0.000 1.134 263 N HN 0.973 nan 8.380 nan 0.000 0.582 264 E N 1.002 121.255 120.200 0.089 0.000 2.229 264 E HA 0.384 4.734 4.350 -0.000 0.000 0.283 264 E C -0.801 175.848 176.600 0.082 0.000 1.030 264 E CA -0.354 56.098 56.400 0.087 0.000 0.836 264 E CB 0.930 30.694 29.700 0.107 0.000 1.068 264 E HN -0.010 nan 8.360 nan 0.000 0.401 265 V N 3.855 123.800 119.914 0.051 0.000 2.444 265 V HA 0.277 4.397 4.120 -0.000 0.000 0.294 265 V C -0.351 175.693 176.094 -0.084 0.000 1.022 265 V CA -0.687 61.623 62.300 0.017 0.000 0.850 265 V CB 1.645 33.509 31.823 0.067 0.000 0.992 265 V HN 0.619 nan 8.190 nan 0.000 0.426 266 S N 6.062 121.601 115.700 -0.269 0.000 2.478 266 S HA 0.582 5.052 4.470 -0.000 0.000 0.312 266 S C -1.857 172.323 174.600 -0.701 0.000 1.094 266 S CA -1.556 56.440 58.200 -0.340 0.000 1.081 266 S CB 2.117 65.183 63.200 -0.223 0.000 1.007 266 S HN 0.523 nan 8.310 nan 0.000 0.475 267 P HA 0.040 nan 4.420 nan 0.000 0.220 267 P C 0.900 178.052 177.300 -0.247 0.000 1.152 267 P CA 0.770 63.700 63.100 -0.283 0.000 0.812 267 P CB 0.219 31.885 31.700 -0.057 0.000 0.792 268 E N -0.208 119.874 120.200 -0.196 0.000 2.077 268 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 268 E C 2.086 178.351 176.600 -0.558 0.000 0.989 268 E CA 0.817 57.137 56.400 -0.134 0.000 0.800 268 E CB -0.512 29.299 29.700 0.186 0.000 0.746 268 E HN 0.200 nan 8.360 nan 0.000 0.452 269 N N 0.883 118.978 118.700 -1.009 0.000 2.069 269 N HA -0.216 4.524 4.740 -0.000 0.000 0.191 269 N C 1.554 176.743 175.510 -0.535 0.000 1.031 269 N CA 1.627 53.815 53.050 -1.437 0.000 0.852 269 N CB -0.173 37.508 38.487 -1.343 0.000 1.018 269 N HN 0.404 nan 8.380 nan 0.000 0.423 270 H N 0.199 119.046 119.070 -0.371 0.000 2.321 270 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 270 H C 2.280 177.514 175.328 -0.157 0.000 1.087 270 H CA 1.377 57.232 56.048 -0.322 0.000 1.319 270 H CB 0.040 29.560 29.762 -0.402 0.000 1.379 270 H HN 0.227 nan 8.280 nan 0.000 0.501 271 K N 0.648 121.037 120.400 -0.019 0.000 2.032 271 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 271 K C 2.051 178.656 176.600 0.008 0.000 1.048 271 K CA 1.524 57.812 56.287 0.003 0.000 0.927 271 K CB -0.217 32.296 32.500 0.022 0.000 0.712 271 K HN 0.161 nan 8.250 nan 0.000 0.441 272 F N 1.171 120.999 119.950 -0.202 0.000 2.095 272 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 272 F C 2.061 177.831 175.800 -0.050 0.000 1.104 272 F CA 1.779 59.664 58.000 -0.190 0.000 1.232 272 F CB -0.497 38.297 39.000 -0.342 0.000 0.987 272 F HN 0.096 nan 8.300 nan 0.000 0.475 273 A N 0.066 123.030 122.820 0.241 0.000 2.019 273 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 273 A C 1.867 179.517 177.584 0.110 0.000 1.164 273 A CA 1.888 54.069 52.037 0.239 0.000 0.644 273 A CB -0.736 18.517 19.000 0.422 0.000 0.805 273 A HN 0.532 nan 8.150 nan 0.000 0.449 274 N N -0.463 118.280 118.700 0.071 0.000 2.415 274 N HA 0.005 4.745 4.740 -0.000 0.000 0.176 274 N C 0.883 176.376 175.510 -0.028 0.000 1.042 274 N CA 1.124 54.194 53.050 0.034 0.000 0.902 274 N CB 0.113 38.616 38.487 0.027 0.000 0.986 274 N HN 0.726 nan 8.380 nan 0.000 0.447 275 E N -0.981 119.169 120.200 -0.084 0.000 2.606 275 E HA 0.096 4.446 4.350 -0.000 0.000 0.224 275 E C 1.191 177.677 176.600 -0.191 0.000 0.930 275 E CA 0.016 56.352 56.400 -0.105 0.000 1.125 275 E CB 0.416 30.082 29.700 -0.056 0.000 1.123 275 E HN 0.168 nan 8.360 nan 0.000 0.522 276 S N 0.256 115.735 115.700 -0.368 0.000 2.387 276 S HA 0.055 4.525 4.470 -0.000 0.000 0.226 276 S C 1.823 176.242 174.600 -0.302 0.000 1.026 276 S CA 1.086 58.961 58.200 -0.541 0.000 0.972 276 S CB 0.054 62.411 63.200 -1.404 0.000 0.814 276 S HN 0.365 nan 8.310 nan 0.000 0.477 277 G N 1.101 109.772 108.800 -0.214 0.000 2.184 277 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.206 277 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.206 277 G C -0.101 174.747 174.900 -0.087 0.000 0.995 277 G CA 0.071 45.096 45.100 -0.125 0.000 0.651 277 G HN 1.001 nan 8.290 nan 0.000 0.511 278 M N 0.274 119.809 119.600 -0.108 0.000 2.572 278 M HA 0.824 5.304 4.480 -0.000 0.000 0.299 278 M C 0.279 176.593 176.300 0.022 0.000 1.205 278 M CA -0.185 55.087 55.300 -0.046 0.000 0.876 278 M CB 2.103 34.710 32.600 0.012 0.000 1.728 278 M HN 0.575 nan 8.290 nan 0.000 0.458 279 S N 2.325 118.039 115.700 0.024 0.000 2.623 279 S HA 0.876 5.346 4.470 -0.000 0.000 0.278 279 S C -0.345 174.377 174.600 0.203 0.000 1.148 279 S CA -0.816 57.445 58.200 0.102 0.000 1.028 279 S CB 0.950 64.198 63.200 0.080 0.000 1.145 279 S HN 0.783 nan 8.310 nan 0.000 0.523 280 L N -0.640 120.694 121.223 0.185 0.000 2.341 280 L HA 0.514 4.854 4.340 -0.000 0.000 0.254 280 L C -1.073 175.944 176.870 0.245 0.000 1.040 280 L CA -1.047 53.953 54.840 0.267 0.000 0.837 280 L CB 1.535 43.763 42.059 0.281 0.000 1.425 280 L HN 0.543 nan 8.230 nan 0.000 0.414 281 L N 1.318 122.771 121.223 0.383 0.000 2.361 281 L HA 0.109 4.449 4.340 -0.000 0.000 0.278 281 L C 0.138 177.278 176.870 0.450 0.000 1.113 281 L CA -0.008 55.084 54.840 0.419 0.000 0.849 281 L CB 0.312 42.663 42.059 0.488 0.000 1.155 281 L HN 0.471 nan 8.230 nan 0.000 0.452 282 D N 3.330 123.878 120.400 0.247 0.000 2.597 282 D HA -0.045 4.595 4.640 -0.000 0.000 0.228 282 D C 1.038 177.370 176.300 0.054 0.000 1.120 282 D CA 0.292 54.354 54.000 0.102 0.000 1.083 282 D CB 0.083 40.827 40.800 -0.092 0.000 1.116 282 D HN 0.301 nan 8.370 nan 0.000 0.487 283 F N 1.008 121.039 119.950 0.135 0.000 2.126 283 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 283 F C 2.580 178.377 175.800 -0.005 0.000 1.096 283 F CA 0.879 58.895 58.000 0.027 0.000 1.255 283 F CB -0.078 38.957 39.000 0.059 0.000 0.997 283 F HN 0.254 nan 8.300 nan 0.000 0.479 284 R N -0.465 120.197 120.500 0.270 0.000 2.103 284 R HA -0.241 4.099 4.340 -0.000 0.000 0.242 284 R C 2.338 178.731 176.300 0.155 0.000 1.142 284 R CA 1.910 58.139 56.100 0.216 0.000 0.960 284 R CB -0.805 29.661 30.300 0.277 0.000 0.858 284 R HN 0.342 nan 8.270 nan 0.000 0.439 285 F N 0.767 120.707 119.950 -0.016 0.000 2.084 285 F HA -0.124 4.403 4.527 -0.000 0.000 0.296 285 F C 2.206 177.931 175.800 -0.125 0.000 1.111 285 F CA 1.485 59.457 58.000 -0.046 0.000 1.224 285 F CB -0.581 38.370 39.000 -0.081 0.000 0.991 285 F HN 0.049 nan 8.300 nan 0.000 0.471 286 A N 0.434 123.208 122.820 -0.077 0.000 1.873 286 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 286 A C 2.163 179.662 177.584 -0.141 0.000 1.193 286 A CA 1.923 53.763 52.037 -0.328 0.000 0.629 286 A CB -0.983 17.320 19.000 -1.162 0.000 0.826 286 A HN 0.553 nan 8.150 nan 0.000 0.447 287 Q N -0.514 119.244 119.800 -0.069 0.000 2.061 287 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 287 Q C 2.096 178.094 176.000 -0.004 0.000 0.984 287 Q CA 2.039 57.854 55.803 0.020 0.000 0.846 287 Q CB -0.429 28.360 28.738 0.084 0.000 0.902 287 Q HN 0.692 nan 8.270 nan 0.000 0.421 288 K N 0.677 121.049 120.400 -0.046 0.000 2.097 288 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 288 K C 2.013 178.546 176.600 -0.111 0.000 1.049 288 K CA 0.807 57.045 56.287 -0.081 0.000 0.933 288 K CB -0.312 32.130 32.500 -0.097 0.000 0.717 288 K HN -0.017 nan 8.250 nan 0.000 0.442 289 V N 1.198 121.022 119.914 -0.149 0.000 2.332 289 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 289 V C 2.296 178.517 176.094 0.211 0.000 1.055 289 V CA 2.206 64.496 62.300 -0.017 0.000 1.038 289 V CB -0.435 31.335 31.823 -0.088 0.000 0.651 289 V HN 0.346 nan 8.190 nan 0.000 0.450 290 R N -0.567 120.044 120.500 0.186 0.000 2.081 290 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 290 R C 2.408 178.740 176.300 0.053 0.000 1.131 290 R CA 1.573 57.786 56.100 0.188 0.000 0.960 290 R CB -0.390 29.974 30.300 0.108 0.000 0.856 290 R HN 0.579 nan 8.270 nan 0.000 0.436 291 Q N 0.119 119.926 119.800 0.012 0.000 2.061 291 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 291 Q C 2.213 178.174 176.000 -0.066 0.000 0.984 291 Q CA 1.819 57.604 55.803 -0.029 0.000 0.846 291 Q CB -0.001 28.716 28.738 -0.035 0.000 0.902 291 Q HN 0.205 nan 8.270 nan 0.000 0.421 292 V N -0.569 119.274 119.914 -0.117 0.000 2.346 292 V HA -0.168 3.952 4.120 -0.000 0.000 0.244 292 V C 1.632 177.539 176.094 -0.313 0.000 1.037 292 V CA 1.581 63.711 62.300 -0.284 0.000 1.029 292 V CB -0.351 31.178 31.823 -0.490 0.000 0.663 292 V HN 0.247 nan 8.190 nan 0.000 0.454 293 F N -0.614 119.340 119.950 0.007 0.000 2.530 293 F HA 0.197 4.724 4.527 -0.000 0.000 0.292 293 F C 2.394 178.277 175.800 0.139 0.000 1.109 293 F CA 0.896 58.961 58.000 0.108 0.000 1.450 293 F CB -0.075 39.044 39.000 0.198 0.000 1.114 293 F HN -0.089 nan 8.300 nan 0.000 0.560 294 R N 0.269 120.874 120.500 0.174 0.000 2.064 294 R HA 0.008 4.348 4.340 -0.000 0.000 0.210 294 R C 1.075 177.303 176.300 -0.119 0.000 1.221 294 R CA 1.105 57.105 56.100 -0.167 0.000 1.055 294 R CB -0.117 29.752 30.300 -0.718 0.000 0.946 294 R HN 0.029 nan 8.270 nan 0.000 0.459 295 D N 0.621 120.962 120.400 -0.098 0.000 2.349 295 D HA 0.017 4.657 4.640 -0.000 0.000 0.215 295 D C -0.368 175.903 176.300 -0.048 0.000 1.016 295 D CA 0.269 54.226 54.000 -0.072 0.000 0.870 295 D CB -0.131 40.631 40.800 -0.063 0.000 0.917 295 D HN 0.324 nan 8.370 nan 0.000 0.524 296 N N 0.049 118.720 118.700 -0.048 0.000 2.727 296 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 296 N C 0.462 175.946 175.510 -0.044 0.000 1.048 296 N CA 0.932 53.951 53.050 -0.051 0.000 0.714 296 N CB -1.495 36.970 38.487 -0.036 0.000 0.959 296 N HN 0.280 nan 8.380 nan 0.000 0.544 297 T N -4.613 109.915 114.554 -0.044 0.000 3.105 297 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 297 T C -0.004 174.677 174.700 -0.032 0.000 1.047 297 T CA 0.028 62.109 62.100 -0.031 0.000 0.944 297 T CB 0.626 69.481 68.868 -0.022 0.000 1.016 297 T HN 0.250 nan 8.240 nan 0.000 0.544 298 D N 0.806 121.176 120.400 -0.051 0.000 2.648 298 D HA 0.334 4.974 4.640 -0.000 0.000 0.244 298 D C -1.379 174.869 176.300 -0.086 0.000 1.244 298 D CA -0.528 53.441 54.000 -0.051 0.000 0.772 298 D CB 1.783 42.555 40.800 -0.048 0.000 1.379 298 D HN 0.308 nan 8.370 nan 0.000 0.428 299 N N 0.688 119.354 118.700 -0.056 0.000 2.813 299 N HA 0.259 4.999 4.740 -0.000 0.000 0.320 299 N C 1.055 176.477 175.510 -0.148 0.000 1.315 299 N CA -0.499 52.498 53.050 -0.088 0.000 0.871 299 N CB 0.150 38.647 38.487 0.015 0.000 1.241 299 N HN 0.193 nan 8.380 nan 0.000 0.602 300 M N -0.792 118.669 119.600 -0.231 0.000 2.195 300 M HA -0.098 4.382 4.480 -0.000 0.000 0.260 300 M C 1.339 177.460 176.300 -0.298 0.000 1.066 300 M CA 1.544 56.650 55.300 -0.323 0.000 1.089 300 M CB -1.522 30.859 32.600 -0.366 0.000 1.377 300 M HN 0.535 nan 8.290 nan 0.000 0.411 301 Y N -0.176 120.087 120.300 -0.062 0.000 2.224 301 Y HA -0.082 4.468 4.550 -0.000 0.000 0.289 301 Y C 2.614 178.488 175.900 -0.044 0.000 1.146 301 Y CA 1.444 59.519 58.100 -0.042 0.000 1.182 301 Y CB -1.360 37.076 38.460 -0.039 0.000 0.983 301 Y HN 0.317 nan 8.280 nan 0.000 0.524 302 G N -0.287 108.552 108.800 0.065 0.000 2.402 302 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 302 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 302 G C 1.646 176.527 174.900 -0.031 0.000 1.162 302 G CA 0.889 45.997 45.100 0.013 0.000 0.777 302 G HN 0.308 nan 8.290 nan 0.000 0.539 303 L N 0.980 122.143 121.223 -0.100 0.000 2.012 303 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 303 L C 2.780 179.627 176.870 -0.038 0.000 1.073 303 L CA 2.563 57.325 54.840 -0.130 0.000 0.748 303 L CB -0.445 41.456 42.059 -0.262 0.000 0.891 303 L HN 0.321 nan 8.230 nan 0.000 0.431 304 K N -0.752 119.633 120.400 -0.024 0.000 2.057 304 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 304 K C 1.943 178.573 176.600 0.049 0.000 1.049 304 K CA 1.408 57.710 56.287 0.026 0.000 0.931 304 K CB -0.258 32.259 32.500 0.028 0.000 0.714 304 K HN 0.379 nan 8.250 nan 0.000 0.440 305 A N 2.031 124.882 122.820 0.051 0.000 1.902 305 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 305 A C 2.214 179.830 177.584 0.054 0.000 1.181 305 A CA 1.681 53.751 52.037 0.054 0.000 0.623 305 A CB -0.644 18.388 19.000 0.052 0.000 0.818 305 A HN 0.523 nan 8.150 nan 0.000 0.443 306 M N -0.095 119.534 119.600 0.050 0.000 2.080 306 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 306 M C 2.028 178.390 176.300 0.103 0.000 1.068 306 M CA 1.839 57.182 55.300 0.072 0.000 1.109 306 M CB -0.825 31.802 32.600 0.046 0.000 1.342 306 M HN 0.442 nan 8.290 nan 0.000 0.405 307 L N 0.307 121.589 121.223 0.098 0.000 1.994 307 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 307 L C 2.536 179.460 176.870 0.088 0.000 1.071 307 L CA 1.736 56.642 54.840 0.110 0.000 0.745 307 L CB -0.968 41.143 42.059 0.087 0.000 0.892 307 L HN 0.363 nan 8.230 nan 0.000 0.431 308 E N 0.231 120.473 120.200 0.070 0.000 2.072 308 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 308 E C 2.245 178.870 176.600 0.042 0.000 0.985 308 E CA 1.317 57.750 56.400 0.056 0.000 0.801 308 E CB -0.506 29.224 29.700 0.050 0.000 0.750 308 E HN 0.541 nan 8.360 nan 0.000 0.452 309 G N 2.350 111.175 108.800 0.042 0.000 2.433 309 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.216 309 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.216 309 G C 1.903 176.800 174.900 -0.006 0.000 1.186 309 G CA 1.782 46.891 45.100 0.014 0.000 0.779 309 G HN 0.423 nan 8.290 nan 0.000 0.543 310 S N 1.440 117.181 115.700 0.068 0.000 2.370 310 S HA 0.044 4.514 4.470 -0.000 0.000 0.226 310 S C 2.583 177.269 174.600 0.143 0.000 1.033 310 S CA 1.618 59.908 58.200 0.151 0.000 1.011 310 S CB -0.615 62.759 63.200 0.290 0.000 0.852 310 S HN 0.682 nan 8.310 nan 0.000 0.457 311 A N 1.405 124.284 122.820 0.098 0.000 2.070 311 A HA 0.351 4.671 4.320 -0.000 0.000 0.220 311 A C 2.318 179.921 177.584 0.032 0.000 1.159 311 A CA 1.612 53.695 52.037 0.077 0.000 0.656 311 A CB -1.006 18.034 19.000 0.065 0.000 0.800 311 A HN 0.899 nan 8.150 nan 0.000 0.453 312 A N -0.955 121.857 122.820 -0.014 0.000 2.014 312 A HA 0.110 4.430 4.320 -0.000 0.000 0.210 312 A C 1.581 179.081 177.584 -0.140 0.000 1.188 312 A CA 1.012 53.015 52.037 -0.056 0.000 0.731 312 A CB -0.010 18.961 19.000 -0.049 0.000 0.858 312 A HN 0.348 nan 8.150 nan 0.000 0.464 313 D N -1.101 119.136 120.400 -0.272 0.000 2.194 313 D HA 0.021 4.661 4.640 -0.000 0.000 0.204 313 D C -0.462 175.474 176.300 -0.607 0.000 0.964 313 D CA 0.887 54.530 54.000 -0.595 0.000 0.846 313 D CB -0.086 39.992 40.800 -1.204 0.000 0.962 313 D HN 0.475 nan 8.370 nan 0.000 0.490 314 Y N 0.202 120.397 120.300 -0.174 0.000 2.341 314 Y HA 0.435 4.985 4.550 -0.000 0.000 0.340 314 Y C 1.240 177.109 175.900 -0.052 0.000 0.997 314 Y CA -0.806 57.246 58.100 -0.081 0.000 1.149 314 Y CB 1.604 40.047 38.460 -0.028 0.000 1.171 314 Y HN -0.182 nan 8.280 nan 0.000 0.494 315 A N 2.781 125.659 122.820 0.096 0.000 1.940 315 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 315 A C 0.882 178.481 177.584 0.025 0.000 1.176 315 A CA 1.405 53.459 52.037 0.029 0.000 0.631 315 A CB -0.224 18.784 19.000 0.013 0.000 0.814 315 A HN 0.790 nan 8.150 nan 0.000 0.446 316 Q N -1.147 118.713 119.800 0.099 0.000 2.943 316 Q HA 0.405 4.745 4.340 -0.000 0.000 0.327 316 Q C 0.499 176.572 176.000 0.122 0.000 0.937 316 Q CA -0.134 55.730 55.803 0.102 0.000 0.914 316 Q CB 1.051 29.874 28.738 0.142 0.000 1.339 316 Q HN 0.155 nan 8.270 nan 0.000 0.417 317 V N 0.980 120.960 119.914 0.111 0.000 2.453 317 V HA -0.282 3.838 4.120 -0.000 0.000 0.252 317 V C 0.987 177.100 176.094 0.032 0.000 1.068 317 V CA 2.262 64.599 62.300 0.063 0.000 1.070 317 V CB 0.115 31.993 31.823 0.093 0.000 0.664 317 V HN 0.702 nan 8.190 nan 0.000 0.461 318 D N -0.568 119.895 120.400 0.104 0.000 2.378 318 D HA -0.106 4.534 4.640 -0.000 0.000 0.222 318 D C 1.156 177.549 176.300 0.155 0.000 0.980 318 D CA 0.879 54.956 54.000 0.129 0.000 0.907 318 D CB -0.025 40.913 40.800 0.229 0.000 0.899 318 D HN 0.521 nan 8.370 nan 0.000 0.527 319 D N 0.331 120.845 120.400 0.190 0.000 2.360 319 D HA -0.007 4.633 4.640 -0.000 0.000 0.210 319 D C 0.564 176.979 176.300 0.191 0.000 1.047 319 D CA 0.222 54.407 54.000 0.307 0.000 0.854 319 D CB 0.443 41.493 40.800 0.416 0.000 0.936 319 D HN 0.066 nan 8.370 nan 0.000 0.514 320 Q N 0.682 120.479 119.800 -0.005 0.000 2.332 320 Q HA 0.175 4.515 4.340 -0.000 0.000 0.263 320 Q C -0.031 175.893 176.000 -0.125 0.000 0.979 320 Q CA -0.151 55.584 55.803 -0.114 0.000 0.885 320 Q CB 1.554 30.106 28.738 -0.309 0.000 1.218 320 Q HN -0.107 nan 8.270 nan 0.000 0.405 321 V N 3.373 123.211 119.914 -0.128 0.000 2.353 321 V HA 0.185 4.305 4.120 -0.000 0.000 0.264 321 V C 0.685 176.756 176.094 -0.039 0.000 1.049 321 V CA -0.550 61.641 62.300 -0.183 0.000 0.896 321 V CB 0.391 31.930 31.823 -0.473 0.000 1.025 321 V HN 0.869 nan 8.190 nan 0.000 0.475 322 T N 2.941 117.389 114.554 -0.177 0.000 2.882 322 T HA 0.787 5.137 4.350 -0.000 0.000 0.287 322 T C -0.568 174.183 174.700 0.086 0.000 1.014 322 T CA -0.358 61.564 62.100 -0.298 0.000 1.049 322 T CB 1.330 69.660 68.868 -0.896 0.000 1.001 322 T HN 0.741 nan 8.240 nan 0.000 0.525 323 F N -0.711 119.213 119.950 -0.044 0.000 2.858 323 F HA 0.542 5.069 4.527 -0.000 0.000 0.319 323 F C -0.085 175.799 175.800 0.140 0.000 1.166 323 F CA -1.293 56.731 58.000 0.041 0.000 0.899 323 F CB 0.719 39.725 39.000 0.010 0.000 1.332 323 F HN 0.587 nan 8.300 nan 0.000 0.461 324 I N -1.534 119.184 120.570 0.247 0.000 4.403 324 I HA 0.478 4.648 4.170 -0.000 0.000 0.331 324 I C -0.950 175.369 176.117 0.337 0.000 1.327 324 I CA 0.126 61.528 61.300 0.169 0.000 1.175 324 I CB 0.775 38.747 38.000 -0.046 0.000 1.165 324 I HN 0.684 nan 8.210 nan 0.000 0.413 325 D N 0.864 121.524 120.400 0.433 0.000 2.725 325 D HA 0.375 5.015 4.640 -0.000 0.000 0.292 325 D C -1.206 175.147 176.300 0.088 0.000 1.288 325 D CA -0.588 53.602 54.000 0.317 0.000 0.784 325 D CB 0.724 41.690 40.800 0.277 0.000 1.308 325 D HN 0.316 nan 8.370 nan 0.000 0.429 326 N N -2.699 115.875 118.700 -0.210 0.000 3.308 326 N HA 0.175 4.915 4.740 -0.000 0.000 0.276 326 N C 0.474 175.520 175.510 -0.773 0.000 1.533 326 N CA -0.562 52.108 53.050 -0.632 0.000 0.878 326 N CB -0.012 38.237 38.487 -0.397 0.000 1.566 326 N HN 0.552 nan 8.380 nan 0.000 0.546 327 H N -1.881 116.712 119.070 -0.795 0.000 2.567 327 H HA 0.152 4.708 4.556 -0.000 0.000 0.276 327 H C -0.650 174.646 175.328 -0.053 0.000 1.016 327 H CA 0.817 56.662 56.048 -0.338 0.000 1.186 327 H CB -0.253 29.537 29.762 0.046 0.000 1.351 327 H HN 0.529 nan 8.280 nan 0.000 0.605 328 D N 0.429 120.622 120.400 -0.344 0.000 2.407 328 D HA 0.145 4.785 4.640 -0.000 0.000 0.208 328 D C 0.985 177.325 176.300 0.067 0.000 1.083 328 D CA 0.222 54.162 54.000 -0.101 0.000 0.844 328 D CB 0.695 41.509 40.800 0.023 0.000 0.967 328 D HN 0.524 nan 8.370 nan 0.000 0.506 329 M N -1.046 118.584 119.600 0.050 0.000 2.691 329 M HA 0.470 4.950 4.480 -0.000 0.000 0.293 329 M C -0.392 175.954 176.300 0.075 0.000 1.259 329 M CA -0.993 54.373 55.300 0.112 0.000 0.827 329 M CB 1.927 34.643 32.600 0.193 0.000 1.753 329 M HN -0.383 nan 8.290 nan 0.000 0.465 330 E N 1.802 122.050 120.200 0.080 0.000 2.442 330 E HA 0.073 4.423 4.350 -0.000 0.000 0.262 330 E C -0.609 176.048 176.600 0.095 0.000 1.004 330 E CA 0.141 56.580 56.400 0.064 0.000 0.928 330 E CB 0.534 30.255 29.700 0.034 0.000 0.937 330 E HN 0.396 nan 8.360 nan 0.000 0.446 331 R N 2.118 122.683 120.500 0.108 0.000 2.623 331 R HA -0.043 4.297 4.340 -0.000 0.000 0.271 331 R C 0.983 177.398 176.300 0.192 0.000 1.043 331 R CA -0.145 56.060 56.100 0.175 0.000 1.083 331 R CB 0.216 30.617 30.300 0.168 0.000 0.974 331 R HN 0.605 nan 8.270 nan 0.000 0.436 332 F N 1.829 121.861 119.950 0.136 0.000 2.091 332 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 332 F C 1.346 177.244 175.800 0.163 0.000 1.103 332 F CA 1.745 59.829 58.000 0.140 0.000 1.228 332 F CB -0.249 38.838 39.000 0.145 0.000 0.984 332 F HN 0.545 nan 8.300 nan 0.000 0.477 333 H N 0.384 119.649 119.070 0.324 0.000 2.767 333 H HA 0.499 5.055 4.556 -0.000 0.000 0.316 333 H C -0.527 174.865 175.328 0.106 0.000 1.059 333 H CA -0.541 55.649 56.048 0.236 0.000 1.461 333 H CB 0.625 30.567 29.762 0.300 0.000 1.475 333 H HN 0.228 nan 8.280 nan 0.000 0.531 334 A N 3.525 126.053 122.820 -0.487 0.000 2.290 334 A HA 0.310 4.630 4.320 -0.000 0.000 0.310 334 A C 1.416 178.645 177.584 -0.592 0.000 1.202 334 A CA -0.077 51.724 52.037 -0.393 0.000 0.837 334 A CB 0.222 19.086 19.000 -0.227 0.000 1.139 334 A HN 0.996 nan 8.150 nan 0.000 0.509 335 S N 2.151 117.671 115.700 -0.300 0.000 2.428 335 S HA -0.260 4.209 4.470 -0.000 0.000 0.240 335 S C 1.049 175.578 174.600 -0.119 0.000 1.036 335 S CA 1.849 59.952 58.200 -0.161 0.000 1.009 335 S CB -0.534 62.632 63.200 -0.057 0.000 0.803 335 S HN 0.889 nan 8.310 nan 0.000 0.486 336 N N 1.563 120.182 118.700 -0.135 0.000 2.205 336 N HA 0.344 5.084 4.740 -0.000 0.000 0.201 336 N C 0.432 175.909 175.510 -0.055 0.000 1.128 336 N CA 0.400 53.410 53.050 -0.067 0.000 0.867 336 N CB 0.056 38.512 38.487 -0.051 0.000 0.996 336 N HN 0.530 nan 8.380 nan 0.000 0.503 337 A N 1.255 124.008 122.820 -0.112 0.000 2.296 337 A HA 0.215 4.535 4.320 -0.000 0.000 0.264 337 A C 0.255 177.906 177.584 0.111 0.000 1.097 337 A CA -0.476 51.547 52.037 -0.022 0.000 0.811 337 A CB 0.214 19.183 19.000 -0.052 0.000 1.072 337 A HN 0.241 nan 8.150 nan 0.000 0.495 338 N N -0.025 118.746 118.700 0.119 0.000 2.420 338 N HA 0.066 4.806 4.740 -0.000 0.000 0.262 338 N C 1.054 176.678 175.510 0.190 0.000 1.144 338 N CA 0.053 53.179 53.050 0.127 0.000 0.952 338 N CB 0.536 39.077 38.487 0.090 0.000 1.081 338 N HN 0.607 nan 8.380 nan 0.000 0.480 339 R N 2.168 122.743 120.500 0.125 0.000 2.133 339 R HA -0.203 4.137 4.340 -0.000 0.000 0.247 339 R C 1.622 178.002 176.300 0.133 0.000 1.151 339 R CA 1.521 57.645 56.100 0.040 0.000 0.971 339 R CB -0.083 30.042 30.300 -0.292 0.000 0.866 339 R HN 0.480 nan 8.270 nan 0.000 0.447 340 R N 1.558 122.119 120.500 0.103 0.000 2.185 340 R HA -0.154 4.186 4.340 -0.000 0.000 0.247 340 R C 1.416 177.805 176.300 0.148 0.000 1.159 340 R CA 1.688 57.853 56.100 0.109 0.000 0.988 340 R CB -0.169 30.183 30.300 0.087 0.000 0.871 340 R HN 0.192 nan 8.270 nan 0.000 0.458 341 K N -0.049 120.481 120.400 0.217 0.000 2.026 341 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 341 K C 2.114 178.896 176.600 0.305 0.000 1.048 341 K CA 1.726 58.199 56.287 0.310 0.000 0.929 341 K CB -0.456 32.266 32.500 0.370 0.000 0.713 341 K HN 0.287 nan 8.250 nan 0.000 0.439 342 L N 1.755 123.177 121.223 0.332 0.000 2.056 342 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 342 L C 1.998 178.827 176.870 -0.069 0.000 1.078 342 L CA 1.572 56.484 54.840 0.120 0.000 0.749 342 L CB -0.135 42.092 42.059 0.280 0.000 0.901 342 L HN 0.123 nan 8.230 nan 0.000 0.433 343 E N -0.468 119.757 120.200 0.042 0.000 2.077 343 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 343 E C 2.223 178.771 176.600 -0.087 0.000 0.989 343 E CA 1.582 57.979 56.400 -0.005 0.000 0.800 343 E CB -0.172 29.567 29.700 0.064 0.000 0.746 343 E HN 0.636 nan 8.360 nan 0.000 0.452 344 Q N 0.212 119.951 119.800 -0.102 0.000 2.020 344 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 344 Q C 2.373 178.082 176.000 -0.484 0.000 0.982 344 Q CA 1.303 56.981 55.803 -0.209 0.000 0.838 344 Q CB -0.224 28.451 28.738 -0.106 0.000 0.899 344 Q HN 0.292 nan 8.270 nan 0.000 0.423 345 A N 0.863 123.279 122.820 -0.672 0.000 1.948 345 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 345 A C 2.045 179.416 177.584 -0.355 0.000 1.177 345 A CA 1.144 52.721 52.037 -0.767 0.000 0.636 345 A CB -0.722 17.776 19.000 -0.837 0.000 0.815 345 A HN 0.313 nan 8.150 nan 0.000 0.449 346 L N -1.033 120.017 121.223 -0.288 0.000 1.976 346 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 346 L C 3.183 179.998 176.870 -0.092 0.000 1.071 346 L CA 1.254 55.996 54.840 -0.163 0.000 0.746 346 L CB -0.631 41.341 42.059 -0.145 0.000 0.890 346 L HN 0.460 nan 8.230 nan 0.000 0.432 347 A N -0.239 122.528 122.820 -0.088 0.000 1.892 347 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 347 A C 2.159 179.761 177.584 0.030 0.000 1.188 347 A CA 1.994 54.004 52.037 -0.044 0.000 0.631 347 A CB -1.023 17.949 19.000 -0.047 0.000 0.822 347 A HN 0.441 nan 8.150 nan 0.000 0.447 348 F N 1.324 121.217 119.950 -0.095 0.000 2.069 348 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 348 F C 2.524 178.386 175.800 0.103 0.000 1.113 348 F CA 2.462 60.486 58.000 0.040 0.000 1.214 348 F CB -0.809 38.141 39.000 -0.084 0.000 0.978 348 F HN 0.220 nan 8.300 nan 0.000 0.474 349 T N 1.655 116.263 114.554 0.091 0.000 2.652 349 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 349 T C 2.146 176.780 174.700 -0.109 0.000 1.039 349 T CA 1.903 64.031 62.100 0.047 0.000 1.153 349 T CB -0.665 68.275 68.868 0.121 0.000 0.863 349 T HN 0.258 nan 8.240 nan 0.000 0.428 350 L N 1.244 122.417 121.223 -0.083 0.000 2.187 350 L HA -0.090 4.250 4.340 -0.000 0.000 0.213 350 L C 2.677 179.477 176.870 -0.116 0.000 1.100 350 L CA 1.488 56.267 54.840 -0.102 0.000 0.765 350 L CB -0.865 41.141 42.059 -0.089 0.000 0.904 350 L HN 0.465 nan 8.230 nan 0.000 0.437 351 T N -5.626 108.867 114.554 -0.102 0.000 3.069 351 T HA 0.169 4.519 4.350 -0.000 0.000 0.252 351 T C 0.795 175.452 174.700 -0.072 0.000 1.053 351 T CA -0.285 61.776 62.100 -0.065 0.000 0.964 351 T CB 0.252 69.116 68.868 -0.005 0.000 1.005 351 T HN 0.011 nan 8.240 nan 0.000 0.532 352 S N 2.282 117.852 115.700 -0.217 0.000 2.693 352 S HA 0.581 5.051 4.470 -0.000 0.000 0.276 352 S C 0.353 174.818 174.600 -0.225 0.000 1.192 352 S CA -1.044 56.980 58.200 -0.294 0.000 0.994 352 S CB 0.871 63.771 63.200 -0.500 0.000 1.012 352 S HN 0.610 nan 8.310 nan 0.000 0.550 353 R N 0.777 121.167 120.500 -0.183 0.000 2.643 353 R HA 0.566 4.906 4.340 -0.000 0.000 0.270 353 R C 0.456 176.627 176.300 -0.214 0.000 1.061 353 R CA 0.508 56.525 56.100 -0.138 0.000 1.107 353 R CB -1.174 29.094 30.300 -0.053 0.000 0.999 353 R HN 0.946 nan 8.270 nan 0.000 0.460 354 G N 0.300 109.004 108.800 -0.159 0.000 2.466 354 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.316 354 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.316 354 G C -1.464 173.322 174.900 -0.189 0.000 1.270 354 G CA -0.397 44.597 45.100 -0.176 0.000 0.982 354 G HN 0.625 nan 8.290 nan 0.000 0.506 355 V N 2.512 122.314 119.914 -0.187 0.000 2.318 355 V HA 0.498 4.618 4.120 -0.000 0.000 0.271 355 V C -1.832 174.163 176.094 -0.166 0.000 1.030 355 V CA -1.149 61.042 62.300 -0.180 0.000 0.844 355 V CB 1.343 33.044 31.823 -0.203 0.000 1.015 355 V HN 0.632 nan 8.190 nan 0.000 0.460 356 P HA 0.401 nan 4.420 nan 0.000 0.276 356 P C -0.641 176.665 177.300 0.011 0.000 1.235 356 P CA 0.027 63.072 63.100 -0.092 0.000 0.772 356 P CB 1.204 32.845 31.700 -0.099 0.000 0.871 357 A N 4.474 127.346 122.820 0.087 0.000 2.343 357 A HA 0.687 5.007 4.320 -0.000 0.000 0.308 357 A C -0.579 177.109 177.584 0.172 0.000 1.092 357 A CA -0.767 51.378 52.037 0.180 0.000 0.751 357 A CB 0.718 19.896 19.000 0.297 0.000 1.203 357 A HN 0.445 nan 8.150 nan 0.000 0.452 358 I N 2.543 123.191 120.570 0.130 0.000 2.362 358 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 358 I C -0.795 175.311 176.117 -0.019 0.000 0.994 358 I CA -0.731 60.620 61.300 0.084 0.000 1.158 358 I CB 1.379 39.437 38.000 0.097 0.000 1.315 358 I HN 0.726 nan 8.210 nan 0.000 0.451 359 Y N 8.445 128.668 120.300 -0.129 0.000 2.442 359 Y HA 0.078 4.628 4.550 -0.000 0.000 0.330 359 Y C 0.061 175.784 175.900 -0.295 0.000 1.129 359 Y CA -0.969 57.013 58.100 -0.197 0.000 1.365 359 Y CB 0.149 38.551 38.460 -0.096 0.000 1.233 359 Y HN 0.443 nan 8.280 nan 0.000 0.529 360 Y N 4.162 123.984 120.300 -0.796 0.000 2.811 360 Y HA 0.327 4.877 4.550 -0.000 0.000 0.334 360 Y C 1.030 176.717 175.900 -0.356 0.000 1.247 360 Y CA -0.240 57.471 58.100 -0.649 0.000 1.526 360 Y CB 0.009 38.192 38.460 -0.462 0.000 1.284 360 Y HN 0.900 nan 8.280 nan 0.000 0.586 361 G N 2.090 110.784 108.800 -0.177 0.000 2.232 361 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.226 361 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.226 361 G C 0.899 175.707 174.900 -0.153 0.000 0.996 361 G CA 0.285 45.241 45.100 -0.240 0.000 0.626 361 G HN 0.830 nan 8.290 nan 0.000 0.509 362 T N 1.995 116.467 114.554 -0.136 0.000 2.635 362 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 362 T C 2.151 176.728 174.700 -0.204 0.000 1.040 362 T CA 2.074 64.115 62.100 -0.099 0.000 1.156 362 T CB -0.346 68.497 68.868 -0.042 0.000 0.863 362 T HN 0.787 nan 8.240 nan 0.000 0.430 363 E N 1.192 121.328 120.200 -0.108 0.000 2.396 363 E HA -0.186 4.164 4.350 -0.000 0.000 0.200 363 E C 1.314 177.770 176.600 -0.239 0.000 1.023 363 E CA 0.953 57.258 56.400 -0.158 0.000 0.857 363 E CB -0.207 29.543 29.700 0.083 0.000 0.775 363 E HN 0.434 nan 8.360 nan 0.000 0.525 364 Q N -0.355 119.351 119.800 -0.157 0.000 2.219 364 Q HA 0.063 4.403 4.340 -0.000 0.000 0.209 364 Q C -0.470 175.525 176.000 -0.008 0.000 0.854 364 Q CA -0.357 55.411 55.803 -0.058 0.000 0.960 364 Q CB -0.164 28.584 28.738 0.017 0.000 1.116 364 Q HN 0.338 nan 8.270 nan 0.000 0.500 365 Y N -1.218 119.070 120.300 -0.019 0.000 3.589 365 Y HA -0.272 4.278 4.550 -0.000 0.000 0.218 365 Y C 0.291 176.233 175.900 0.069 0.000 1.234 365 Y CA 0.243 58.294 58.100 -0.082 0.000 1.576 365 Y CB -2.585 35.745 38.460 -0.217 0.000 1.487 365 Y HN 0.199 nan 8.280 nan 0.000 0.616 366 M N 0.358 120.028 119.600 0.117 0.000 2.239 366 M HA 0.228 4.708 4.480 -0.000 0.000 0.348 366 M C 0.582 176.983 176.300 0.167 0.000 1.239 366 M CA 0.812 56.167 55.300 0.091 0.000 1.114 366 M CB 0.583 33.144 32.600 -0.065 0.000 1.641 366 M HN 0.239 nan 8.290 nan 0.000 0.453 367 S N 1.170 116.955 115.700 0.142 0.000 2.607 367 S HA 0.953 5.423 4.470 -0.000 0.000 0.303 367 S C -0.102 174.531 174.600 0.055 0.000 1.086 367 S CA -0.794 57.471 58.200 0.108 0.000 0.995 367 S CB 2.171 65.409 63.200 0.063 0.000 1.084 367 S HN 0.962 nan 8.310 nan 0.000 0.507 368 G N -0.223 108.603 108.800 0.043 0.000 2.378 368 G HA2 0.484 4.444 3.960 -0.000 0.000 0.302 368 G HA3 0.484 4.444 3.960 -0.000 0.000 0.302 368 G C -0.307 174.615 174.900 0.035 0.000 1.669 368 G CA -0.326 44.794 45.100 0.033 0.000 0.920 368 G HN 0.886 nan 8.290 nan 0.000 0.697 369 G N -0.384 108.430 108.800 0.023 0.000 2.485 369 G HA2 0.689 4.649 3.960 -0.000 0.000 0.260 369 G HA3 0.689 4.649 3.960 -0.000 0.000 0.260 369 G C 0.984 175.903 174.900 0.032 0.000 1.459 369 G CA 0.684 45.797 45.100 0.022 0.000 1.060 369 G HN 1.657 nan 8.290 nan 0.000 0.546 370 T N -1.403 113.166 114.554 0.025 0.000 2.734 370 T HA 0.201 4.551 4.350 -0.000 0.000 0.314 370 T C 0.308 175.024 174.700 0.028 0.000 1.057 370 T CA 0.046 62.161 62.100 0.025 0.000 1.047 370 T CB 0.685 69.560 68.868 0.012 0.000 0.991 370 T HN 0.527 nan 8.240 nan 0.000 0.540 371 D N 1.745 122.162 120.400 0.029 0.000 2.583 371 D HA 0.013 4.653 4.640 -0.000 0.000 0.232 371 D C -1.276 175.055 176.300 0.051 0.000 1.128 371 D CA -1.521 52.509 54.000 0.050 0.000 0.859 371 D CB 0.613 41.440 40.800 0.045 0.000 1.169 371 D HN 0.379 nan 8.370 nan 0.000 0.481 372 P HA 0.141 nan 4.420 nan 0.000 0.274 372 P C 0.294 177.624 177.300 0.050 0.000 1.352 372 P CA -0.202 62.956 63.100 0.097 0.000 0.947 372 P CB 0.512 32.294 31.700 0.138 0.000 1.437 373 D N 1.608 122.029 120.400 0.036 0.000 2.315 373 D HA -0.134 4.506 4.640 -0.000 0.000 0.211 373 D C 1.018 177.337 176.300 0.032 0.000 0.977 373 D CA 1.050 55.064 54.000 0.024 0.000 0.894 373 D CB -0.235 40.576 40.800 0.019 0.000 0.910 373 D HN 0.371 nan 8.370 nan 0.000 0.490 374 N N -0.065 118.664 118.700 0.049 0.000 2.314 374 N HA -0.040 4.700 4.740 -0.000 0.000 0.200 374 N C 0.220 175.788 175.510 0.097 0.000 1.135 374 N CA 0.000 53.101 53.050 0.085 0.000 0.835 374 N CB -0.011 38.539 38.487 0.106 0.000 0.989 374 N HN 0.073 nan 8.380 nan 0.000 0.478 375 R N -0.131 120.390 120.500 0.035 0.000 2.776 375 R HA 0.470 4.810 4.340 -0.000 0.000 0.391 375 R C -0.299 176.038 176.300 0.062 0.000 1.116 375 R CA -0.390 55.718 56.100 0.013 0.000 1.056 375 R CB 0.803 30.994 30.300 -0.181 0.000 1.369 375 R HN 0.122 nan 8.270 nan 0.000 0.590 376 A N 1.562 124.407 122.820 0.042 0.000 2.346 376 A HA 0.241 4.561 4.320 -0.000 0.000 0.252 376 A C 0.201 177.846 177.584 0.102 0.000 1.089 376 A CA -0.415 51.640 52.037 0.030 0.000 0.797 376 A CB 0.306 19.304 19.000 -0.003 0.000 1.047 376 A HN 0.504 nan 8.150 nan 0.000 0.494 377 R N 1.194 121.727 120.500 0.056 0.000 2.537 377 R HA 0.219 4.559 4.340 -0.000 0.000 0.280 377 R C -0.175 176.155 176.300 0.051 0.000 1.058 377 R CA -0.266 55.879 56.100 0.076 0.000 1.057 377 R CB 0.154 30.461 30.300 0.011 0.000 0.973 377 R HN 0.685 nan 8.270 nan 0.000 0.438 378 I N 7.663 128.287 120.570 0.090 0.000 2.769 378 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 378 I C -1.322 174.648 176.117 -0.246 0.000 1.173 378 I CA -1.664 59.600 61.300 -0.060 0.000 1.389 378 I CB 1.141 39.109 38.000 -0.053 0.000 1.404 378 I HN 0.753 nan 8.210 nan 0.000 0.544 379 P HA -0.094 nan 4.420 nan 0.000 0.218 379 P C -0.282 176.868 177.300 -0.249 0.000 1.148 379 P CA 0.985 63.985 63.100 -0.167 0.000 0.822 379 P CB 0.018 31.665 31.700 -0.089 0.000 0.784 380 S N -2.747 112.727 115.700 -0.378 0.000 2.595 380 S HA 0.475 4.945 4.470 -0.000 0.000 0.270 380 S C -1.050 173.191 174.600 -0.600 0.000 1.145 380 S CA -0.818 57.133 58.200 -0.415 0.000 0.825 380 S CB 0.056 63.157 63.200 -0.164 0.000 1.107 380 S HN -0.173 nan 8.310 nan 0.000 0.461 381 F N 1.894 121.698 119.950 -0.245 0.000 2.701 381 F HA 0.528 5.055 4.527 0.000 0.000 0.315 381 F C 1.022 176.778 175.800 -0.072 0.000 1.277 381 F CA -0.494 57.237 58.000 -0.449 0.000 1.180 381 F CB 0.783 39.373 39.000 -0.682 0.000 1.273 381 F HN 0.661 nan 8.300 nan 0.000 0.532 382 S N 0.091 115.865 115.700 0.124 0.000 2.499 382 S HA 0.246 4.716 4.470 -0.000 0.000 0.279 382 S C 1.227 175.753 174.600 -0.123 0.000 1.219 382 S CA -0.118 58.104 58.200 0.037 0.000 1.062 382 S CB 0.839 64.044 63.200 0.008 0.000 0.978 382 S HN 0.513 nan 8.310 nan 0.000 0.489 383 T N 1.638 115.984 114.554 -0.347 0.000 3.107 383 T HA 0.134 4.484 4.350 -0.000 0.000 0.249 383 T C 1.426 175.865 174.700 -0.434 0.000 1.096 383 T CA 0.351 61.883 62.100 -0.947 0.000 1.012 383 T CB -0.130 68.322 68.868 -0.693 0.000 0.977 383 T HN 0.429 nan 8.240 nan 0.000 0.527 384 S N 1.922 117.518 115.700 -0.173 0.000 2.461 384 S HA 0.060 4.530 4.470 -0.000 0.000 0.228 384 S C 1.392 176.016 174.600 0.039 0.000 1.005 384 S CA 0.703 58.878 58.200 -0.041 0.000 0.942 384 S CB -0.380 62.810 63.200 -0.016 0.000 0.776 384 S HN 0.923 nan 8.310 nan 0.000 0.514 385 T N 0.133 114.736 114.554 0.082 0.000 2.855 385 T HA 0.070 4.420 4.350 -0.000 0.000 0.314 385 T C 1.290 176.115 174.700 0.208 0.000 1.077 385 T CA 0.188 62.408 62.100 0.201 0.000 1.095 385 T CB 0.683 69.713 68.868 0.270 0.000 0.987 385 T HN 0.033 nan 8.240 nan 0.000 0.546 386 T N 2.164 116.869 114.554 0.251 0.000 2.777 386 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 386 T C 2.411 177.205 174.700 0.157 0.000 1.040 386 T CA 1.310 63.523 62.100 0.189 0.000 1.141 386 T CB -0.844 68.127 68.868 0.171 0.000 0.868 386 T HN 0.821 nan 8.240 nan 0.000 0.444 387 A N 0.592 123.505 122.820 0.154 0.000 1.908 387 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 387 A C 2.069 179.643 177.584 -0.016 0.000 1.181 387 A CA 1.752 53.769 52.037 -0.034 0.000 0.627 387 A CB -1.142 17.633 19.000 -0.375 0.000 0.818 387 A HN 0.597 nan 8.150 nan 0.000 0.445 388 Y N 0.587 120.840 120.300 -0.079 0.000 2.165 388 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 388 Y C 2.530 178.393 175.900 -0.061 0.000 1.155 388 Y CA 2.436 60.494 58.100 -0.071 0.000 1.164 388 Y CB -0.333 38.102 38.460 -0.042 0.000 0.978 388 Y HN 0.470 nan 8.280 nan 0.000 0.513 389 Q N -1.193 118.707 119.800 0.167 0.000 2.172 389 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 389 Q C 2.331 178.320 176.000 -0.019 0.000 0.964 389 Q CA 1.495 57.349 55.803 0.085 0.000 0.855 389 Q CB -0.179 28.619 28.738 0.100 0.000 0.918 389 Q HN 0.360 nan 8.270 nan 0.000 0.444 390 V N 1.205 121.102 119.914 -0.029 0.000 2.255 390 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 390 V C 2.126 178.159 176.094 -0.102 0.000 1.051 390 V CA 1.783 64.048 62.300 -0.058 0.000 1.018 390 V CB -0.468 31.324 31.823 -0.051 0.000 0.641 390 V HN 0.366 nan 8.190 nan 0.000 0.445 391 I N -0.189 120.294 120.570 -0.145 0.000 2.163 391 I HA -0.360 3.810 4.170 -0.000 0.000 0.243 391 I C 2.675 178.669 176.117 -0.205 0.000 1.085 391 I CA 2.203 63.391 61.300 -0.186 0.000 1.347 391 I CB -0.584 37.268 38.000 -0.247 0.000 1.044 391 I HN 0.428 nan 8.210 nan 0.000 0.408 392 Q N 1.606 121.256 119.800 -0.250 0.000 2.112 392 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 392 Q C 2.088 178.014 176.000 -0.123 0.000 0.987 392 Q CA 1.775 57.454 55.803 -0.207 0.000 0.858 392 Q CB 0.049 28.692 28.738 -0.158 0.000 0.905 392 Q HN 0.468 nan 8.270 nan 0.000 0.420 393 K N -0.286 120.056 120.400 -0.097 0.000 2.186 393 K HA 0.012 4.332 4.320 -0.000 0.000 0.202 393 K C 2.057 178.604 176.600 -0.089 0.000 1.052 393 K CA 0.696 56.936 56.287 -0.077 0.000 0.965 393 K CB 0.229 32.693 32.500 -0.060 0.000 0.746 393 K HN 0.298 nan 8.250 nan 0.000 0.457 394 L N -0.021 121.141 121.223 -0.101 0.000 2.298 394 L HA 0.082 4.422 4.340 -0.000 0.000 0.209 394 L C 2.501 179.305 176.870 -0.110 0.000 1.084 394 L CA 0.322 55.100 54.840 -0.102 0.000 0.816 394 L CB -0.445 41.554 42.059 -0.100 0.000 0.967 394 L HN 0.048 nan 8.230 nan 0.000 0.460 395 A N 1.573 124.321 122.820 -0.120 0.000 1.869 395 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 395 A C -0.095 177.415 177.584 -0.123 0.000 1.203 395 A CA 2.122 54.085 52.037 -0.123 0.000 0.638 395 A CB -2.056 16.864 19.000 -0.133 0.000 0.831 395 A HN 0.274 nan 8.150 nan 0.000 0.450 396 P HA -0.159 nan 4.420 nan 0.000 0.218 396 P C 1.467 178.698 177.300 -0.115 0.000 1.146 396 P CA 0.912 63.945 63.100 -0.111 0.000 0.813 396 P CB -0.266 31.377 31.700 -0.095 0.000 0.778 397 L N -0.757 120.400 121.223 -0.111 0.000 2.079 397 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 397 L C 2.694 179.479 176.870 -0.142 0.000 1.081 397 L CA 1.498 56.271 54.840 -0.111 0.000 0.752 397 L CB -0.560 41.441 42.059 -0.098 0.000 0.896 397 L HN -0.037 nan 8.230 nan 0.000 0.433 398 R N -0.208 120.194 120.500 -0.163 0.000 2.193 398 R HA -0.136 4.203 4.340 -0.000 0.000 0.229 398 R C 1.909 178.061 176.300 -0.246 0.000 1.110 398 R CA 0.806 56.777 56.100 -0.215 0.000 0.988 398 R CB -0.133 30.040 30.300 -0.212 0.000 0.871 398 R HN 0.386 nan 8.270 nan 0.000 0.458 399 K N -0.112 120.171 120.400 -0.194 0.000 2.334 399 K HA 0.030 4.350 4.320 -0.000 0.000 0.195 399 K C 1.960 178.465 176.600 -0.159 0.000 1.045 399 K CA 0.862 57.037 56.287 -0.186 0.000 1.004 399 K CB 0.613 33.019 32.500 -0.156 0.000 0.837 399 K HN 0.336 nan 8.250 nan 0.000 0.510 400 C N -0.523 118.694 119.300 -0.139 0.000 3.019 400 C HA 0.306 4.766 4.460 -0.000 0.000 0.295 400 C C 0.652 175.578 174.990 -0.107 0.000 1.256 400 C CA -0.630 58.322 59.018 -0.111 0.000 1.706 400 C CB -0.589 27.098 27.740 -0.089 0.000 2.153 400 C HN 0.107 nan 8.230 nan 0.000 0.618 401 N N 1.919 120.544 118.700 -0.126 0.000 2.696 401 N HA 0.337 5.077 4.740 -0.000 0.000 0.246 401 N C -2.031 173.388 175.510 -0.153 0.000 1.057 401 N CA -1.788 51.201 53.050 -0.102 0.000 0.867 401 N CB 1.515 39.962 38.487 -0.066 0.000 1.141 401 N HN 0.074 nan 8.380 nan 0.000 0.517 402 P HA -0.123 nan 4.420 nan 0.000 0.220 402 P C 0.965 178.139 177.300 -0.211 0.000 1.144 402 P CA 0.838 63.767 63.100 -0.285 0.000 0.800 402 P CB 0.299 31.942 31.700 -0.094 0.000 0.772 403 A N -0.030 122.794 122.820 0.006 0.000 1.933 403 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 403 A C 2.198 179.779 177.584 -0.006 0.000 1.175 403 A CA 1.326 53.422 52.037 0.099 0.000 0.628 403 A CB -1.254 17.822 19.000 0.127 0.000 0.814 403 A HN 0.070 nan 8.150 nan 0.000 0.444 404 I N -0.385 120.130 120.570 -0.091 0.000 2.252 404 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 404 I C 2.857 178.850 176.117 -0.207 0.000 1.102 404 I CA 1.553 62.781 61.300 -0.119 0.000 1.385 404 I CB -1.379 36.543 38.000 -0.131 0.000 1.064 404 I HN 0.367 nan 8.210 nan 0.000 0.414 405 A N -0.340 122.247 122.820 -0.390 0.000 1.970 405 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 405 A C 1.647 178.926 177.584 -0.509 0.000 1.170 405 A CA 1.261 52.948 52.037 -0.585 0.000 0.645 405 A CB -0.345 18.072 19.000 -0.972 0.000 0.816 405 A HN 0.462 nan 8.150 nan 0.000 0.447 406 Y N -1.154 118.996 120.300 -0.251 0.000 2.448 406 Y HA 0.340 4.890 4.550 -0.000 0.000 0.257 406 Y C 1.591 177.480 175.900 -0.020 0.000 1.089 406 Y CA -0.990 56.968 58.100 -0.236 0.000 1.245 406 Y CB -0.810 37.236 38.460 -0.691 0.000 1.282 406 Y HN 0.195 nan 8.280 nan 0.000 0.529 407 G N 1.175 110.069 108.800 0.156 0.000 2.664 407 G HA2 0.312 4.272 3.960 -0.000 0.000 0.242 407 G HA3 0.312 4.272 3.960 -0.000 0.000 0.242 407 G C 0.403 175.421 174.900 0.195 0.000 1.225 407 G CA 0.111 45.369 45.100 0.265 0.000 0.849 407 G HN 0.262 nan 8.290 nan 0.000 0.581 408 S N -1.056 114.759 115.700 0.192 0.000 2.681 408 S HA 0.656 5.126 4.470 -0.000 0.000 0.270 408 S C -0.007 174.671 174.600 0.130 0.000 1.209 408 S CA -0.512 57.774 58.200 0.143 0.000 0.988 408 S CB 1.625 64.902 63.200 0.129 0.000 1.006 408 S HN 0.584 nan 8.310 nan 0.000 0.558 409 T N 1.646 116.267 114.554 0.112 0.000 2.807 409 T HA 0.547 4.897 4.350 -0.000 0.000 0.279 409 T C -0.920 173.857 174.700 0.129 0.000 0.993 409 T CA -0.534 61.639 62.100 0.122 0.000 0.970 409 T CB 1.222 70.131 68.868 0.069 0.000 0.950 409 T HN 0.680 nan 8.240 nan 0.000 0.441 410 Q N 2.189 122.092 119.800 0.171 0.000 2.271 410 Q HA 0.224 4.564 4.340 -0.000 0.000 0.268 410 Q C -1.135 174.986 176.000 0.201 0.000 1.021 410 Q CA -0.654 55.242 55.803 0.155 0.000 0.802 410 Q CB 1.771 30.585 28.738 0.127 0.000 1.282 410 Q HN 0.641 nan 8.270 nan 0.000 0.431 411 E N 3.997 124.302 120.200 0.174 0.000 2.324 411 E HA 0.064 4.414 4.350 -0.000 0.000 0.271 411 E C -0.261 176.444 176.600 0.176 0.000 1.028 411 E CA 0.275 56.793 56.400 0.197 0.000 0.890 411 E CB 0.645 30.431 29.700 0.143 0.000 1.004 411 E HN 0.699 nan 8.360 nan 0.000 0.431 412 R N 3.377 124.010 120.500 0.222 0.000 2.344 412 R HA 0.141 4.481 4.340 -0.000 0.000 0.209 412 R C -0.067 176.408 176.300 0.291 0.000 0.886 412 R CA -0.058 56.171 56.100 0.215 0.000 1.040 412 R CB 0.844 31.265 30.300 0.203 0.000 1.114 412 R HN 0.506 nan 8.270 nan 0.000 0.547 413 W N 0.713 122.066 121.300 0.089 0.000 3.573 413 W HA 0.574 5.234 4.660 -0.000 0.000 0.306 413 W C -1.711 174.831 176.519 0.038 0.000 1.227 413 W CA -0.590 56.791 57.345 0.060 0.000 1.212 413 W CB 1.420 30.915 29.460 0.058 0.000 1.331 413 W HN -0.175 nan 8.180 nan 0.000 0.524 414 I N 5.931 126.471 120.570 -0.050 0.000 2.828 414 I HA 0.430 4.600 4.170 -0.000 0.000 0.295 414 I C -1.647 174.315 176.117 -0.257 0.000 1.459 414 I CA -0.481 60.781 61.300 -0.063 0.000 1.015 414 I CB 1.740 39.644 38.000 -0.159 0.000 1.345 414 I HN 0.663 nan 8.210 nan 0.000 0.449 415 N N 3.711 122.295 118.700 -0.193 0.000 3.439 415 N HA 0.310 5.050 4.740 -0.000 0.000 0.313 415 N C -0.528 174.866 175.510 -0.194 0.000 1.598 415 N CA -0.535 52.455 53.050 -0.100 0.000 0.830 415 N CB 0.327 38.857 38.487 0.072 0.000 1.849 415 N HN 0.636 nan 8.380 nan 0.000 0.598 416 N N -0.878 117.859 118.700 0.062 0.000 2.069 416 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 416 N C -0.300 175.179 175.510 -0.052 0.000 1.031 416 N CA 1.635 54.722 53.050 0.061 0.000 0.852 416 N CB -0.087 38.463 38.487 0.105 0.000 1.018 416 N HN 0.524 nan 8.380 nan 0.000 0.423 417 D N -0.231 120.158 120.400 -0.018 0.000 2.441 417 D HA 0.113 4.753 4.640 -0.000 0.000 0.210 417 D C -0.171 176.124 176.300 -0.009 0.000 1.102 417 D CA 0.173 54.152 54.000 -0.035 0.000 0.840 417 D CB 1.118 41.919 40.800 0.002 0.000 0.990 417 D HN -0.023 nan 8.370 nan 0.000 0.505 418 V N 1.578 121.520 119.914 0.045 0.000 2.667 418 V HA 0.508 4.628 4.120 -0.000 0.000 0.308 418 V C -0.569 175.603 176.094 0.131 0.000 1.048 418 V CA -0.890 61.484 62.300 0.123 0.000 0.928 418 V CB 2.564 34.526 31.823 0.232 0.000 1.004 418 V HN -0.042 nan 8.190 nan 0.000 0.444 419 L N 5.369 126.703 121.223 0.184 0.000 2.580 419 L HA 0.623 4.963 4.340 -0.000 0.000 0.266 419 L C -1.224 175.842 176.870 0.327 0.000 0.955 419 L CA 0.156 55.143 54.840 0.245 0.000 0.886 419 L CB 1.470 43.657 42.059 0.213 0.000 1.263 419 L HN 0.580 nan 8.230 nan 0.000 0.406 420 I N 6.263 127.040 120.570 0.346 0.000 2.382 420 I HA 0.392 4.562 4.170 -0.000 0.000 0.285 420 I C -1.042 175.259 176.117 0.307 0.000 1.007 420 I CA -0.733 60.731 61.300 0.274 0.000 1.142 420 I CB 1.019 39.196 38.000 0.295 0.000 1.289 420 I HN 0.616 nan 8.210 nan 0.000 0.453 421 Y N 3.311 123.738 120.300 0.213 0.000 2.562 421 Y HA 0.755 5.305 4.550 -0.000 0.000 0.343 421 Y C -0.612 175.377 175.900 0.148 0.000 1.025 421 Y CA -1.349 56.857 58.100 0.177 0.000 1.082 421 Y CB 1.160 39.727 38.460 0.179 0.000 1.264 421 Y HN 0.509 nan 8.280 nan 0.000 0.478 422 E N 2.292 122.659 120.200 0.278 0.000 2.210 422 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 422 E C -1.219 175.507 176.600 0.210 0.000 0.883 422 E CA -1.137 55.368 56.400 0.176 0.000 0.761 422 E CB 1.057 30.837 29.700 0.132 0.000 1.156 422 E HN 0.614 nan 8.360 nan 0.000 0.412 423 R N 3.514 124.115 120.500 0.169 0.000 2.338 423 R HA 0.418 4.758 4.340 -0.000 0.000 0.317 423 R C -0.736 175.650 176.300 0.144 0.000 0.968 423 R CA -0.557 55.638 56.100 0.158 0.000 0.849 423 R CB 1.340 31.719 30.300 0.131 0.000 1.128 423 R HN 0.509 nan 8.270 nan 0.000 0.448 424 K N 2.511 123.009 120.400 0.163 0.000 2.427 424 K HA 0.474 4.794 4.320 -0.000 0.000 0.252 424 K C -1.726 175.027 176.600 0.255 0.000 0.931 424 K CA -0.617 55.773 56.287 0.172 0.000 0.793 424 K CB 1.420 33.993 32.500 0.122 0.000 1.211 424 K HN 0.425 nan 8.250 nan 0.000 0.426 425 F N 4.125 124.124 119.950 0.082 0.000 3.051 425 F HA 0.365 4.892 4.527 -0.000 0.000 0.363 425 F C 0.180 176.024 175.800 0.073 0.000 1.257 425 F CA 0.661 58.715 58.000 0.090 0.000 1.126 425 F CB 1.020 40.095 39.000 0.124 0.000 1.476 425 F HN 0.843 nan 8.300 nan 0.000 0.576 426 G N 3.366 111.901 108.800 -0.440 0.000 2.561 426 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.289 426 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.289 426 G C 0.574 175.439 174.900 -0.058 0.000 1.169 426 G CA 0.208 45.113 45.100 -0.325 0.000 0.980 426 G HN 0.866 nan 8.290 nan 0.000 0.550 427 S N 2.516 118.223 115.700 0.011 0.000 2.618 427 S HA 0.287 4.757 4.470 -0.000 0.000 0.242 427 S C 0.278 174.981 174.600 0.171 0.000 0.972 427 S CA -0.115 58.151 58.200 0.109 0.000 1.004 427 S CB -0.396 62.861 63.200 0.095 0.000 0.778 427 S HN 0.515 nan 8.310 nan 0.000 0.459 428 N N 1.177 119.974 118.700 0.163 0.000 2.314 428 N HA 0.483 5.223 4.740 -0.000 0.000 0.294 428 N C -1.187 174.442 175.510 0.198 0.000 1.029 428 N CA -0.314 52.837 53.050 0.168 0.000 0.845 428 N CB 2.361 40.927 38.487 0.130 0.000 1.321 428 N HN -0.077 nan 8.380 nan 0.000 0.481 429 V N 0.410 120.457 119.914 0.222 0.000 2.914 429 V HA 0.870 4.990 4.120 -0.000 0.000 0.314 429 V C -0.600 175.567 176.094 0.122 0.000 1.084 429 V CA -0.810 61.589 62.300 0.166 0.000 0.963 429 V CB 1.866 33.776 31.823 0.145 0.000 1.025 429 V HN 0.851 nan 8.190 nan 0.000 0.432 430 A N 2.761 125.631 122.820 0.083 0.000 2.437 430 A HA 0.848 5.168 4.320 -0.000 0.000 0.293 430 A C -1.463 176.139 177.584 0.031 0.000 1.038 430 A CA -0.470 51.597 52.037 0.050 0.000 0.708 430 A CB 1.881 20.897 19.000 0.026 0.000 1.251 430 A HN 0.707 nan 8.150 nan 0.000 0.409 431 V N 2.613 122.548 119.914 0.035 0.000 2.487 431 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 431 V C -0.489 175.547 176.094 -0.097 0.000 1.028 431 V CA -0.560 61.765 62.300 0.041 0.000 0.860 431 V CB 1.642 33.582 31.823 0.195 0.000 0.991 431 V HN 0.711 nan 8.190 nan 0.000 0.427 432 V N 3.633 123.324 119.914 -0.373 0.000 2.448 432 V HA 0.848 4.968 4.120 -0.000 0.000 0.295 432 V C 0.210 176.059 176.094 -0.408 0.000 1.025 432 V CA -0.550 61.418 62.300 -0.553 0.000 0.859 432 V CB 1.759 33.110 31.823 -0.787 0.000 0.988 432 V HN 0.985 nan 8.190 nan 0.000 0.431 433 A N 4.591 127.248 122.820 -0.272 0.000 2.331 433 A HA 0.906 5.226 4.320 -0.000 0.000 0.320 433 A C -0.935 176.658 177.584 0.015 0.000 1.138 433 A CA -0.546 51.477 52.037 -0.023 0.000 0.790 433 A CB 1.543 20.640 19.000 0.162 0.000 1.206 433 A HN 0.713 nan 8.150 nan 0.000 0.470 434 V N 2.726 122.719 119.914 0.132 0.000 2.638 434 V HA 0.421 4.541 4.120 -0.000 0.000 0.306 434 V C -0.731 175.457 176.094 0.157 0.000 1.052 434 V CA -0.782 61.622 62.300 0.175 0.000 0.885 434 V CB 2.093 34.103 31.823 0.313 0.000 0.999 434 V HN 0.886 nan 8.190 nan 0.000 0.424 435 N N 3.117 121.898 118.700 0.135 0.000 2.696 435 N HA 0.271 5.011 4.740 -0.000 0.000 0.246 435 N C 1.075 176.655 175.510 0.117 0.000 1.057 435 N CA -0.779 52.332 53.050 0.102 0.000 0.867 435 N CB 1.138 39.668 38.487 0.072 0.000 1.141 435 N HN 0.663 nan 8.380 nan 0.000 0.517 436 R N 1.492 122.055 120.500 0.105 0.000 2.193 436 R HA 0.002 4.342 4.340 -0.000 0.000 0.229 436 R C 0.524 176.869 176.300 0.075 0.000 1.110 436 R CA 0.619 56.785 56.100 0.110 0.000 0.988 436 R CB -0.405 29.862 30.300 -0.056 0.000 0.871 436 R HN 0.237 nan 8.270 nan 0.000 0.458 437 N N 1.306 120.036 118.700 0.049 0.000 2.429 437 N HA -0.051 4.689 4.740 -0.000 0.000 0.271 437 N C 0.086 175.628 175.510 0.054 0.000 1.272 437 N CA 0.029 53.105 53.050 0.043 0.000 0.921 437 N CB 0.768 39.276 38.487 0.035 0.000 1.128 437 N HN 0.126 nan 8.380 nan 0.000 0.481 438 L N 3.899 125.154 121.223 0.054 0.000 2.478 438 L HA 0.079 4.419 4.340 -0.000 0.000 0.223 438 L C 1.094 177.990 176.870 0.042 0.000 1.140 438 L CA 1.091 55.964 54.840 0.055 0.000 0.842 438 L CB -0.368 41.726 42.059 0.058 0.000 0.953 438 L HN 0.596 nan 8.230 nan 0.000 0.452 439 N N -1.447 117.274 118.700 0.036 0.000 2.397 439 N HA 0.282 5.022 4.740 -0.000 0.000 0.190 439 N C 0.344 175.871 175.510 0.028 0.000 1.099 439 N CA 0.371 53.439 53.050 0.030 0.000 0.876 439 N CB 0.558 39.059 38.487 0.025 0.000 1.143 439 N HN 0.135 nan 8.380 nan 0.000 0.468 440 A N 1.493 124.331 122.820 0.030 0.000 2.331 440 A HA 0.629 4.949 4.320 -0.000 0.000 0.320 440 A C -2.603 174.999 177.584 0.029 0.000 1.138 440 A CA -1.515 50.539 52.037 0.028 0.000 0.790 440 A CB 0.994 20.011 19.000 0.028 0.000 1.206 440 A HN -0.113 nan 8.150 nan 0.000 0.470 441 P HA 0.557 nan 4.420 nan 0.000 0.278 441 P C -0.603 176.700 177.300 0.005 0.000 1.258 441 P CA -0.259 62.851 63.100 0.018 0.000 0.811 441 P CB 1.458 33.169 31.700 0.017 0.000 1.063 442 A N 0.581 123.385 122.820 -0.026 0.000 2.374 442 A HA 0.569 4.889 4.320 -0.000 0.000 0.317 442 A C -0.343 177.148 177.584 -0.155 0.000 1.094 442 A CA -0.562 51.439 52.037 -0.061 0.000 0.765 442 A CB 0.970 19.931 19.000 -0.065 0.000 1.268 442 A HN 0.346 nan 8.150 nan 0.000 0.438 443 S N 1.108 116.729 115.700 -0.132 0.000 2.410 443 S HA 0.508 4.978 4.470 -0.000 0.000 0.304 443 S C -0.568 173.825 174.600 -0.345 0.000 1.095 443 S CA -0.227 57.860 58.200 -0.188 0.000 1.089 443 S CB -0.597 62.564 63.200 -0.064 0.000 0.968 443 S HN 0.432 nan 8.310 nan 0.000 0.480 444 I N 4.640 124.801 120.570 -0.682 0.000 2.312 444 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 444 I C 0.021 175.787 176.117 -0.584 0.000 1.008 444 I CA 0.200 60.884 61.300 -1.026 0.000 1.226 444 I CB 1.453 38.414 38.000 -1.731 0.000 1.371 444 I HN 0.561 nan 8.210 nan 0.000 0.468 445 S N 3.162 118.767 115.700 -0.158 0.000 2.546 445 S HA 0.807 5.277 4.470 -0.000 0.000 0.274 445 S C 0.310 175.074 174.600 0.273 0.000 1.121 445 S CA -0.240 57.983 58.200 0.038 0.000 0.887 445 S CB 1.891 65.121 63.200 0.050 0.000 1.094 445 S HN 1.169 nan 8.310 nan 0.000 0.474 446 G N 0.028 108.940 108.800 0.187 0.000 2.157 446 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.239 446 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.239 446 G C -0.219 174.839 174.900 0.263 0.000 0.982 446 G CA -0.017 45.209 45.100 0.211 0.000 0.650 446 G HN 1.248 nan 8.290 nan 0.000 0.527 447 L N 1.694 123.067 121.223 0.249 0.000 2.477 447 L HA 0.615 4.955 4.340 -0.000 0.000 0.272 447 L C 0.199 177.154 176.870 0.141 0.000 1.157 447 L CA -0.295 54.692 54.840 0.244 0.000 0.889 447 L CB 1.193 43.338 42.059 0.143 0.000 1.158 447 L HN 0.137 nan 8.230 nan 0.000 0.473 448 V N 4.908 124.904 119.914 0.137 0.000 2.495 448 V HA 0.742 4.862 4.120 -0.000 0.000 0.298 448 V C 0.289 176.419 176.094 0.060 0.000 1.031 448 V CA -0.005 62.340 62.300 0.075 0.000 0.871 448 V CB 1.643 33.505 31.823 0.066 0.000 0.988 448 V HN 0.981 nan 8.190 nan 0.000 0.432 449 T N 0.386 114.948 114.554 0.013 0.000 2.831 449 T HA 0.390 4.740 4.350 -0.000 0.000 0.287 449 T C 0.463 175.147 174.700 -0.027 0.000 1.070 449 T CA -0.355 61.742 62.100 -0.005 0.000 1.010 449 T CB 1.962 70.797 68.868 -0.055 0.000 1.264 449 T HN 0.287 nan 8.240 nan 0.000 0.532 450 S N -0.119 115.562 115.700 -0.032 0.000 2.556 450 S HA 0.335 4.805 4.470 -0.000 0.000 0.216 450 S C 0.595 175.133 174.600 -0.104 0.000 0.970 450 S CA -0.452 57.724 58.200 -0.040 0.000 0.912 450 S CB -0.675 62.526 63.200 0.001 0.000 0.790 450 S HN 0.461 nan 8.310 nan 0.000 0.504 451 L N 2.990 124.115 121.223 -0.163 0.000 2.426 451 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 451 L C -2.202 174.537 176.870 -0.219 0.000 1.169 451 L CA -1.819 52.855 54.840 -0.277 0.000 0.836 451 L CB -0.065 41.687 42.059 -0.511 0.000 1.112 451 L HN -0.038 nan 8.230 nan 0.000 0.465 452 P HA 0.022 nan 4.420 nan 0.000 0.274 452 P C -0.983 176.312 177.300 -0.009 0.000 1.246 452 P CA -0.592 62.394 63.100 -0.190 0.000 0.795 452 P CB 0.434 31.927 31.700 -0.344 0.000 1.006 453 Q N 0.377 120.165 119.800 -0.020 0.000 2.315 453 Q HA 0.379 4.719 4.340 -0.000 0.000 0.289 453 Q C 0.143 176.154 176.000 0.018 0.000 1.044 453 Q CA 0.770 56.579 55.803 0.010 0.000 0.920 453 Q CB -0.298 28.431 28.738 -0.015 0.000 1.214 453 Q HN 0.746 nan 8.270 nan 0.000 0.392 454 G N 1.503 110.317 108.800 0.024 0.000 2.352 454 G HA2 0.124 4.084 3.960 -0.000 0.000 0.283 454 G HA3 0.124 4.084 3.960 -0.000 0.000 0.283 454 G C -1.642 173.175 174.900 -0.138 0.000 1.308 454 G CA -0.451 44.582 45.100 -0.112 0.000 0.892 454 G HN 0.524 nan 8.290 nan 0.000 0.504 455 S N -0.524 114.973 115.700 -0.339 0.000 2.519 455 S HA 0.757 5.226 4.470 -0.000 0.000 0.309 455 S C -1.519 172.823 174.600 -0.429 0.000 1.100 455 S CA -0.429 57.625 58.200 -0.243 0.000 1.059 455 S CB 0.575 63.684 63.200 -0.152 0.000 1.008 455 S HN 0.484 nan 8.310 nan 0.000 0.478 456 Y N 2.780 123.009 120.300 -0.118 0.000 2.364 456 Y HA 0.473 5.023 4.550 -0.000 0.000 0.340 456 Y C 0.510 176.455 175.900 0.074 0.000 0.975 456 Y CA -1.198 56.888 58.100 -0.023 0.000 1.089 456 Y CB 0.998 39.442 38.460 -0.027 0.000 1.192 456 Y HN 0.501 nan 8.280 nan 0.000 0.454 457 N N 1.506 120.356 118.700 0.251 0.000 2.524 457 N HA 0.066 4.806 4.740 -0.000 0.000 0.283 457 N C -0.919 174.773 175.510 0.304 0.000 1.142 457 N CA -0.580 52.603 53.050 0.222 0.000 0.984 457 N CB 0.890 39.437 38.487 0.101 0.000 1.155 457 N HN 0.666 nan 8.380 nan 0.000 0.467 458 D N 0.693 121.216 120.400 0.204 0.000 2.401 458 D HA 0.005 4.645 4.640 -0.000 0.000 0.254 458 D C 1.021 177.297 176.300 -0.040 0.000 1.192 458 D CA -0.156 53.838 54.000 -0.010 0.000 0.885 458 D CB 0.749 41.509 40.800 -0.067 0.000 1.147 458 D HN 0.144 nan 8.370 nan 0.000 0.478 459 V N 4.360 124.217 119.914 -0.094 0.000 2.568 459 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 459 V C 2.235 178.285 176.094 -0.073 0.000 1.072 459 V CA 1.343 63.603 62.300 -0.065 0.000 1.084 459 V CB -0.508 31.267 31.823 -0.079 0.000 0.676 459 V HN 0.650 nan 8.190 nan 0.000 0.469 460 L N 0.305 121.465 121.223 -0.106 0.000 2.552 460 L HA 0.202 4.542 4.340 -0.000 0.000 0.227 460 L C 1.713 178.556 176.870 -0.046 0.000 1.146 460 L CA 0.806 55.597 54.840 -0.080 0.000 0.858 460 L CB -0.622 41.378 42.059 -0.099 0.000 0.969 460 L HN 0.537 nan 8.230 nan 0.000 0.451 461 G N 0.125 108.904 108.800 -0.036 0.000 2.305 461 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.287 461 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.287 461 G C 0.996 175.892 174.900 -0.006 0.000 1.036 461 G CA 0.381 45.474 45.100 -0.011 0.000 0.887 461 G HN 0.676 nan 8.290 nan 0.000 0.505 462 G N -1.710 107.082 108.800 -0.014 0.000 2.184 462 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 462 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 462 G C 1.271 176.169 174.900 -0.004 0.000 0.975 462 G CA 1.068 46.166 45.100 -0.003 0.000 0.642 462 G HN 1.629 nan 8.290 nan 0.000 0.536 463 L N -0.097 121.120 121.223 -0.011 0.000 2.089 463 L HA 0.091 4.431 4.340 -0.000 0.000 0.213 463 L C 1.937 178.808 176.870 0.002 0.000 1.079 463 L CA 2.362 57.201 54.840 -0.002 0.000 0.758 463 L CB -0.104 41.952 42.059 -0.006 0.000 0.891 463 L HN 0.444 nan 8.230 nan 0.000 0.433 464 L N -0.292 120.925 121.223 -0.011 0.000 3.141 464 L HA 0.277 4.617 4.340 -0.000 0.000 0.263 464 L C 0.180 177.051 176.870 0.003 0.000 1.312 464 L CA -0.182 54.656 54.840 -0.002 0.000 1.012 464 L CB -0.557 41.495 42.059 -0.012 0.000 1.408 464 L HN 0.305 nan 8.230 nan 0.000 0.559 465 N N -0.602 118.103 118.700 0.009 0.000 2.741 465 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 465 N C 0.714 176.239 175.510 0.025 0.000 1.115 465 N CA 0.722 53.786 53.050 0.023 0.000 0.724 465 N CB -1.046 37.461 38.487 0.034 0.000 1.090 465 N HN 0.625 nan 8.380 nan 0.000 0.558 466 G N 0.075 108.873 108.800 -0.004 0.000 2.651 466 G HA2 0.420 4.380 3.960 -0.000 0.000 0.260 466 G HA3 0.420 4.380 3.960 -0.000 0.000 0.260 466 G C 0.248 175.176 174.900 0.048 0.000 1.216 466 G CA -0.023 45.065 45.100 -0.020 0.000 0.913 466 G HN 0.442 nan 8.290 nan 0.000 0.535 467 N N -1.720 117.051 118.700 0.119 0.000 2.831 467 N HA 0.325 5.065 4.740 -0.000 0.000 0.276 467 N C -1.075 174.592 175.510 0.262 0.000 1.416 467 N CA -0.620 52.519 53.050 0.148 0.000 0.799 467 N CB 1.237 39.796 38.487 0.120 0.000 1.554 467 N HN 0.305 nan 8.380 nan 0.000 0.541 468 T N 0.908 115.532 114.554 0.116 0.000 2.856 468 T HA 0.357 4.707 4.350 -0.000 0.000 0.292 468 T C -0.211 174.363 174.700 -0.209 0.000 0.980 468 T CA -0.313 61.825 62.100 0.064 0.000 1.091 468 T CB 0.363 69.238 68.868 0.012 0.000 0.936 468 T HN 0.354 nan 8.240 nan 0.000 0.503 469 L N 2.869 123.825 121.223 -0.445 0.000 2.317 469 L HA 0.588 4.928 4.340 -0.000 0.000 0.281 469 L C -0.169 176.476 176.870 -0.375 0.000 1.024 469 L CA 0.045 54.389 54.840 -0.827 0.000 0.810 469 L CB 1.890 42.855 42.059 -1.822 0.000 1.240 469 L HN 0.503 nan 8.230 nan 0.000 0.427 470 S N 3.395 118.913 115.700 -0.303 0.000 2.498 470 S HA 0.633 5.103 4.470 -0.000 0.000 0.324 470 S C -0.886 173.652 174.600 -0.103 0.000 1.071 470 S CA -0.503 57.617 58.200 -0.134 0.000 1.113 470 S CB 1.016 64.161 63.200 -0.092 0.000 0.976 470 S HN 0.386 nan 8.310 nan 0.000 0.462 471 V N 3.939 123.837 119.914 -0.026 0.000 2.398 471 V HA 0.690 4.810 4.120 -0.000 0.000 0.286 471 V C 0.957 177.049 176.094 -0.004 0.000 1.026 471 V CA -0.506 61.783 62.300 -0.019 0.000 0.868 471 V CB 1.312 33.140 31.823 0.009 0.000 0.982 471 V HN 0.861 nan 8.190 nan 0.000 0.443 472 G N 3.046 111.836 108.800 -0.016 0.000 2.702 472 G HA2 0.517 4.477 3.960 -0.000 0.000 0.254 472 G HA3 0.517 4.477 3.960 -0.000 0.000 0.254 472 G C 0.101 174.993 174.900 -0.013 0.000 1.380 472 G CA -0.409 44.684 45.100 -0.012 0.000 1.042 472 G HN 0.775 nan 8.290 nan 0.000 0.557 473 S N -1.163 114.531 115.700 -0.011 0.000 2.573 473 S HA 0.382 4.851 4.470 -0.000 0.000 0.277 473 S C 1.406 175.999 174.600 -0.011 0.000 1.346 473 S CA 0.520 58.713 58.200 -0.012 0.000 1.034 473 S CB 0.811 64.006 63.200 -0.008 0.000 0.879 473 S HN 2.231 nan 8.310 nan 0.000 0.528 474 G N 0.870 109.661 108.800 -0.014 0.000 2.203 474 G HA2 0.045 4.005 3.960 -0.000 0.000 0.263 474 G HA3 0.045 4.005 3.960 -0.000 0.000 0.263 474 G C 1.075 175.966 174.900 -0.015 0.000 1.012 474 G CA 0.486 45.579 45.100 -0.012 0.000 0.749 474 G HN 2.331 nan 8.290 nan 0.000 0.512 475 G N -1.572 107.211 108.800 -0.028 0.000 2.168 475 G HA2 0.132 4.092 3.960 -0.000 0.000 0.257 475 G HA3 0.132 4.092 3.960 -0.000 0.000 0.257 475 G C 0.714 175.596 174.900 -0.030 0.000 0.997 475 G CA 1.242 46.317 45.100 -0.042 0.000 0.708 475 G HN 2.339 nan 8.290 nan 0.000 0.520 476 A N -0.034 122.778 122.820 -0.014 0.000 2.404 476 A HA 0.799 5.119 4.320 -0.000 0.000 0.273 476 A C 0.856 178.434 177.584 -0.009 0.000 1.144 476 A CA 0.865 52.903 52.037 0.002 0.000 0.806 476 A CB 0.465 19.473 19.000 0.012 0.000 1.080 476 A HN 2.029 nan 8.150 nan 0.000 0.509 477 A N 2.951 125.769 122.820 -0.004 0.000 2.354 477 A HA 0.570 4.890 4.320 -0.000 0.000 0.269 477 A C 0.911 178.513 177.584 0.031 0.000 1.109 477 A CA 0.291 52.316 52.037 -0.019 0.000 0.800 477 A CB 0.123 19.108 19.000 -0.025 0.000 1.045 477 A HN 1.735 nan 8.150 nan 0.000 0.489 478 S N 2.438 118.150 115.700 0.020 0.000 2.593 478 S HA 0.086 4.556 4.470 -0.000 0.000 0.269 478 S C 0.211 174.881 174.600 0.118 0.000 1.334 478 S CA -0.411 57.817 58.200 0.046 0.000 1.015 478 S CB -0.130 63.082 63.200 0.019 0.000 0.912 478 S HN 0.730 nan 8.310 nan 0.000 0.541 479 N N 1.563 120.308 118.700 0.073 0.000 2.454 479 N HA 0.394 5.134 4.740 -0.000 0.000 0.260 479 N C -0.595 174.989 175.510 0.123 0.000 1.218 479 N CA 0.310 53.386 53.050 0.043 0.000 0.904 479 N CB 0.106 38.597 38.487 0.006 0.000 1.065 479 N HN 0.608 nan 8.380 nan 0.000 0.462 480 F N -1.487 118.410 119.950 -0.088 0.000 2.645 480 F HA 0.475 5.002 4.527 -0.000 0.000 0.310 480 F C -0.955 174.796 175.800 -0.081 0.000 1.102 480 F CA -1.054 56.899 58.000 -0.078 0.000 0.952 480 F CB 1.076 40.025 39.000 -0.086 0.000 1.326 480 F HN 0.042 nan 8.300 nan 0.000 0.456 481 T N 3.500 118.123 114.554 0.114 0.000 2.767 481 T HA 0.473 4.822 4.350 -0.000 0.000 0.284 481 T C -0.998 173.784 174.700 0.136 0.000 0.973 481 T CA -0.286 61.819 62.100 0.008 0.000 0.996 481 T CB 1.082 69.972 68.868 0.038 0.000 0.927 481 T HN 0.666 nan 8.240 nan 0.000 0.456 482 L N 4.747 125.967 121.223 -0.006 0.000 2.259 482 L HA 0.631 4.971 4.340 -0.000 0.000 0.288 482 L C 0.600 177.508 176.870 0.064 0.000 1.051 482 L CA -0.363 54.538 54.840 0.100 0.000 0.824 482 L CB -0.371 41.696 42.059 0.013 0.000 1.206 482 L HN 0.777 nan 8.230 nan 0.000 0.429 483 A N 4.385 127.260 122.820 0.091 0.000 2.577 483 A HA 0.448 4.768 4.320 -0.000 0.000 0.233 483 A C 0.667 178.284 177.584 0.054 0.000 1.076 483 A CA 0.303 52.379 52.037 0.064 0.000 0.767 483 A CB -0.154 18.884 19.000 0.064 0.000 1.017 483 A HN 1.111 nan 8.150 nan 0.000 0.511 484 A N 0.681 123.529 122.820 0.046 0.000 2.520 484 A HA 0.489 4.809 4.320 -0.000 0.000 0.245 484 A C 1.648 179.265 177.584 0.054 0.000 1.072 484 A CA 0.687 52.752 52.037 0.046 0.000 0.761 484 A CB -0.896 18.128 19.000 0.040 0.000 1.004 484 A HN 2.793 nan 8.150 nan 0.000 0.499 485 G N 1.840 110.679 108.800 0.065 0.000 2.203 485 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.263 485 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.263 485 G C 0.767 175.709 174.900 0.071 0.000 1.012 485 G CA 0.751 45.898 45.100 0.078 0.000 0.749 485 G HN 1.884 nan 8.290 nan 0.000 0.512 486 G N -0.904 107.936 108.800 0.067 0.000 2.432 486 G HA2 0.587 4.547 3.960 -0.000 0.000 0.257 486 G HA3 0.587 4.547 3.960 -0.000 0.000 0.257 486 G C -0.182 174.745 174.900 0.045 0.000 1.238 486 G CA 0.652 45.785 45.100 0.055 0.000 0.838 486 G HN 0.680 nan 8.290 nan 0.000 0.547 487 T N 0.409 114.963 114.554 -0.001 0.000 3.011 487 T HA 0.635 4.985 4.350 -0.000 0.000 0.303 487 T C -0.288 174.311 174.700 -0.169 0.000 0.997 487 T CA -0.098 61.970 62.100 -0.053 0.000 1.007 487 T CB 1.575 70.425 68.868 -0.030 0.000 1.017 487 T HN 1.011 nan 8.240 nan 0.000 0.443 488 A N 2.557 125.175 122.820 -0.337 0.000 2.435 488 A HA 0.916 5.236 4.320 -0.000 0.000 0.304 488 A C -1.101 175.923 177.584 -0.933 0.000 1.064 488 A CA -0.732 50.900 52.037 -0.674 0.000 0.727 488 A CB 1.583 20.042 19.000 -0.902 0.000 1.284 488 A HN 0.653 nan 8.150 nan 0.000 0.415 489 V N 2.530 121.893 119.914 -0.917 0.000 2.482 489 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 489 V C -1.129 174.597 176.094 -0.614 0.000 1.026 489 V CA -0.497 61.399 62.300 -0.673 0.000 0.856 489 V CB 1.128 32.750 31.823 -0.335 0.000 1.001 489 V HN 0.833 nan 8.190 nan 0.000 0.424 490 W N 3.969 125.219 121.300 -0.084 0.000 2.689 490 W HA 0.787 5.447 4.660 -0.000 0.000 0.340 490 W C -0.257 176.225 176.519 -0.063 0.000 1.060 490 W CA -0.706 56.601 57.345 -0.064 0.000 1.218 490 W CB 2.165 31.543 29.460 -0.137 0.000 1.410 490 W HN 0.696 nan 8.180 nan 0.000 0.528 491 Q N 1.014 120.958 119.800 0.239 0.000 2.482 491 Q HA 0.646 4.986 4.340 -0.000 0.000 0.286 491 Q C -2.152 174.030 176.000 0.304 0.000 1.007 491 Q CA -1.085 54.823 55.803 0.175 0.000 0.801 491 Q CB 3.160 31.955 28.738 0.096 0.000 1.455 491 Q HN 0.371 nan 8.270 nan 0.000 0.398 492 Y N 0.673 121.038 120.300 0.109 0.000 2.396 492 Y HA 0.663 5.213 4.550 -0.000 0.000 0.332 492 Y C -1.584 174.370 175.900 0.091 0.000 1.034 492 Y CA -0.210 57.982 58.100 0.153 0.000 1.057 492 Y CB 2.263 40.825 38.460 0.170 0.000 1.220 492 Y HN 0.947 nan 8.280 nan 0.000 0.440 493 T N 2.586 116.817 114.554 -0.538 0.000 2.887 493 T HA 0.998 5.348 4.350 -0.000 0.000 0.288 493 T C -0.741 173.558 174.700 -0.669 0.000 1.021 493 T CA -0.385 61.453 62.100 -0.435 0.000 1.000 493 T CB 1.799 70.549 68.868 -0.197 0.000 1.034 493 T HN 1.249 nan 8.240 nan 0.000 0.467 494 A N 1.098 123.699 122.820 -0.366 0.000 2.608 494 A HA 0.873 5.193 4.320 -0.000 0.000 0.292 494 A C -0.262 177.274 177.584 -0.080 0.000 1.066 494 A CA -0.739 51.156 52.037 -0.236 0.000 0.676 494 A CB 0.673 19.561 19.000 -0.186 0.000 1.277 494 A HN 1.685 nan 8.150 nan 0.000 0.413 495 A N 0.577 123.371 122.820 -0.044 0.000 2.511 495 A HA 0.545 4.865 4.320 -0.000 0.000 0.242 495 A C 0.421 178.003 177.584 -0.003 0.000 1.069 495 A CA 0.707 52.733 52.037 -0.018 0.000 0.763 495 A CB -0.391 18.604 19.000 -0.009 0.000 1.001 495 A HN 0.952 nan 8.150 nan 0.000 0.498 496 T N 2.486 117.035 114.554 -0.009 0.000 2.749 496 T HA 0.464 4.814 4.350 -0.000 0.000 0.287 496 T C 1.333 176.026 174.700 -0.012 0.000 0.970 496 T CA 0.262 62.350 62.100 -0.019 0.000 0.980 496 T CB 1.497 70.338 68.868 -0.045 0.000 0.924 496 T HN 0.857 nan 8.240 nan 0.000 0.456 497 A N 3.461 126.280 122.820 -0.002 0.000 1.855 497 A HA 0.130 4.450 4.320 -0.000 0.000 0.213 497 A C 1.568 179.167 177.584 0.024 0.000 1.195 497 A CA 0.801 52.847 52.037 0.015 0.000 0.610 497 A CB -0.614 18.397 19.000 0.018 0.000 0.837 497 A HN 0.747 nan 8.150 nan 0.000 0.444 498 T N -1.180 113.381 114.554 0.011 0.000 2.909 498 T HA 0.514 4.864 4.350 -0.000 0.000 0.289 498 T C -2.955 171.767 174.700 0.037 0.000 1.005 498 T CA -2.219 59.899 62.100 0.030 0.000 1.084 498 T CB 1.117 69.995 68.868 0.017 0.000 0.975 498 T HN 0.062 nan 8.240 nan 0.000 0.509 499 P HA 0.246 nan 4.420 nan 0.000 0.267 499 P C -0.656 176.727 177.300 0.140 0.000 1.209 499 P CA -0.070 63.154 63.100 0.207 0.000 0.763 499 P CB 0.179 32.085 31.700 0.344 0.000 0.816 500 T N 4.543 119.142 114.554 0.075 0.000 2.890 500 T HA 0.438 4.788 4.350 -0.000 0.000 0.295 500 T C 0.308 175.133 174.700 0.207 0.000 0.993 500 T CA -0.425 61.693 62.100 0.030 0.000 0.979 500 T CB 0.509 69.205 68.868 -0.287 0.000 0.967 500 T HN 0.204 nan 8.240 nan 0.000 0.441 501 I N 2.744 123.486 120.570 0.287 0.000 2.396 501 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 501 I C 1.364 177.653 176.117 0.286 0.000 1.056 501 I CA 0.036 61.513 61.300 0.296 0.000 1.365 501 I CB 1.143 39.254 38.000 0.185 0.000 1.407 501 I HN 0.888 nan 8.210 nan 0.000 0.509 502 G N 5.207 114.022 108.800 0.025 0.000 2.709 502 G HA2 0.025 3.985 3.960 -0.000 0.000 0.208 502 G HA3 0.025 3.985 3.960 -0.000 0.000 0.208 502 G C 0.354 175.019 174.900 -0.392 0.000 1.129 502 G CA 0.309 45.196 45.100 -0.355 0.000 0.793 502 G HN 0.632 nan 8.290 nan 0.000 0.524 503 H N -1.044 117.697 119.070 -0.549 0.000 3.068 503 H HA 0.503 5.059 4.556 -0.000 0.000 0.342 503 H C -2.091 172.882 175.328 -0.593 0.000 1.284 503 H CA -0.279 55.493 56.048 -0.460 0.000 1.181 503 H CB 2.114 31.677 29.762 -0.332 0.000 1.898 503 H HN -0.076 nan 8.280 nan 0.000 0.540 504 V N 1.864 121.075 119.914 -1.172 0.000 2.841 504 V HA 0.771 4.891 4.120 -0.000 0.000 0.310 504 V C 0.079 175.971 176.094 -0.337 0.000 1.090 504 V CA -0.143 61.757 62.300 -0.667 0.000 0.930 504 V CB 1.919 33.273 31.823 -0.781 0.000 1.014 504 V HN 0.977 nan 8.190 nan 0.000 0.425 505 G N 3.462 112.278 108.800 0.025 0.000 2.691 505 G HA2 0.645 4.605 3.960 -0.000 0.000 0.298 505 G HA3 0.645 4.605 3.960 -0.000 0.000 0.298 505 G C -3.494 171.527 174.900 0.201 0.000 1.471 505 G CA -0.851 44.370 45.100 0.202 0.000 0.912 505 G HN 0.506 nan 8.290 nan 0.000 0.553 506 P HA 0.259 nan 4.420 nan 0.000 0.274 506 P C 0.569 178.036 177.300 0.278 0.000 1.260 506 P CA -0.381 62.846 63.100 0.211 0.000 0.793 506 P CB 0.848 32.635 31.700 0.144 0.000 1.048 507 M N -0.980 118.710 119.600 0.150 0.000 2.382 507 M HA 0.266 4.746 4.480 -0.000 0.000 0.247 507 M C 0.576 176.650 176.300 -0.377 0.000 1.104 507 M CA 0.597 55.937 55.300 0.066 0.000 1.030 507 M CB -0.419 32.234 32.600 0.089 0.000 1.424 507 M HN 0.426 nan 8.290 nan 0.000 0.486 508 M N 0.673 120.113 119.600 -0.267 0.000 2.277 508 M HA 0.619 5.099 4.480 -0.000 0.000 0.282 508 M C -2.025 174.175 176.300 -0.166 0.000 1.074 508 M CA -0.239 54.862 55.300 -0.331 0.000 0.954 508 M CB 2.338 34.819 32.600 -0.199 0.000 1.672 508 M HN 0.029 nan 8.290 nan 0.000 0.471 509 A N 3.594 126.322 122.820 -0.152 0.000 2.490 509 A HA 0.558 4.878 4.320 -0.000 0.000 0.292 509 A C -2.002 175.584 177.584 0.004 0.000 1.047 509 A CA -0.954 51.069 52.037 -0.022 0.000 0.632 509 A CB 1.397 20.434 19.000 0.063 0.000 1.323 509 A HN 0.881 nan 8.150 nan 0.000 0.448 510 K N 0.316 120.722 120.400 0.009 0.000 2.087 510 K HA 0.711 5.031 4.320 -0.000 0.000 0.255 510 K C -2.672 173.925 176.600 -0.005 0.000 0.988 510 K CA -1.635 54.654 56.287 0.003 0.000 0.915 510 K CB 1.014 33.510 32.500 -0.006 0.000 1.043 510 K HN 0.305 nan 8.250 nan 0.000 0.457 511 P HA -0.023 nan 4.420 nan 0.000 0.266 511 P C 0.586 177.848 177.300 -0.063 0.000 1.193 511 P CA 1.031 64.083 63.100 -0.080 0.000 0.770 511 P CB 0.518 32.163 31.700 -0.093 0.000 0.836 512 G N 0.323 109.073 108.800 -0.084 0.000 2.308 512 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.221 512 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.221 512 G C 0.013 174.886 174.900 -0.045 0.000 1.032 512 G CA -0.034 45.030 45.100 -0.061 0.000 0.623 512 G HN 0.558 nan 8.290 nan 0.000 0.506 513 V N 2.563 122.461 119.914 -0.027 0.000 2.740 513 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 513 V C 1.011 177.106 176.094 0.001 0.000 1.054 513 V CA 0.865 63.164 62.300 -0.002 0.000 1.106 513 V CB 1.334 33.174 31.823 0.028 0.000 0.957 513 V HN 0.369 nan 8.190 nan 0.000 0.486 514 T N 6.500 121.057 114.554 0.004 0.000 2.806 514 T HA 0.553 4.903 4.350 -0.000 0.000 0.290 514 T C -0.013 174.710 174.700 0.038 0.000 0.966 514 T CA -0.041 62.064 62.100 0.009 0.000 1.060 514 T CB 0.422 69.288 68.868 -0.004 0.000 0.927 514 T HN 0.623 nan 8.240 nan 0.000 0.485 515 I N 0.042 120.638 120.570 0.043 0.000 2.863 515 I HA 0.754 4.924 4.170 -0.000 0.000 0.311 515 I C -0.570 175.552 176.117 0.009 0.000 1.026 515 I CA -0.848 60.487 61.300 0.058 0.000 1.077 515 I CB 2.266 40.315 38.000 0.081 0.000 1.262 515 I HN 0.334 nan 8.210 nan 0.000 0.461 516 T N 4.855 119.416 114.554 0.012 0.000 2.791 516 T HA 0.572 4.922 4.350 -0.000 0.000 0.288 516 T C -0.266 174.396 174.700 -0.064 0.000 0.999 516 T CA -0.129 61.961 62.100 -0.017 0.000 0.952 516 T CB 0.847 69.729 68.868 0.024 0.000 0.938 516 T HN 0.376 nan 8.240 nan 0.000 0.444 517 I N 3.705 124.195 120.570 -0.134 0.000 2.307 517 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 517 I C -0.229 175.862 176.117 -0.043 0.000 1.021 517 I CA -0.575 60.610 61.300 -0.193 0.000 1.224 517 I CB 0.896 38.683 38.000 -0.355 0.000 1.376 517 I HN 0.466 nan 8.210 nan 0.000 0.470 518 D N 4.876 125.264 120.400 -0.020 0.000 2.198 518 D HA 0.777 5.417 4.640 -0.000 0.000 0.247 518 D C 0.278 176.523 176.300 -0.092 0.000 1.010 518 D CA -0.011 53.988 54.000 -0.000 0.000 0.880 518 D CB 2.411 43.164 40.800 -0.078 0.000 1.209 518 D HN 0.730 nan 8.370 nan 0.000 0.451 519 G N 0.739 109.424 108.800 -0.193 0.000 2.441 519 G HA2 0.274 4.234 3.960 -0.000 0.000 0.225 519 G HA3 0.274 4.234 3.960 -0.000 0.000 0.225 519 G C -1.324 173.289 174.900 -0.479 0.000 1.200 519 G CA -0.621 44.291 45.100 -0.313 0.000 0.947 519 G HN 0.293 nan 8.290 nan 0.000 0.484 520 R N -0.810 119.373 120.500 -0.528 0.000 2.740 520 R HA 0.626 4.966 4.340 -0.000 0.000 0.273 520 R C 0.453 176.451 176.300 -0.504 0.000 0.998 520 R CA -0.104 55.751 56.100 -0.408 0.000 0.900 520 R CB 1.252 31.554 30.300 0.005 0.000 1.223 520 R HN 2.231 nan 8.270 nan 0.000 0.466 521 G N 1.381 110.006 108.800 -0.292 0.000 2.246 521 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.273 521 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.273 521 G C 0.131 175.069 174.900 0.064 0.000 1.055 521 G CA 0.149 45.194 45.100 -0.091 0.000 0.851 521 G HN 0.441 nan 8.290 nan 0.000 0.500 522 F N 0.800 120.761 119.950 0.019 0.000 2.710 522 F HA 0.393 4.920 4.527 -0.000 0.000 0.298 522 F C 1.973 177.985 175.800 0.354 0.000 1.137 522 F CA 0.772 58.785 58.000 0.022 0.000 1.444 522 F CB -0.458 38.299 39.000 -0.406 0.000 1.111 522 F HN 1.132 nan 8.300 nan 0.000 0.580 523 G N -0.117 108.938 108.800 0.424 0.000 2.781 523 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.683 523 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.683 523 G C 0.630 175.815 174.900 0.477 0.000 1.390 523 G CA -0.159 45.173 45.100 0.387 0.000 0.850 523 G HN 0.285 nan 8.290 nan 0.000 0.557 524 S N -1.145 114.722 115.700 0.279 0.000 2.548 524 S HA 0.417 4.887 4.470 -0.000 0.000 0.215 524 S C 1.013 175.701 174.600 0.146 0.000 0.976 524 S CA 0.943 59.285 58.200 0.237 0.000 0.908 524 S CB 0.224 63.501 63.200 0.128 0.000 0.781 524 S HN 1.743 nan 8.310 nan 0.000 0.519 525 S N 1.498 117.198 115.700 0.000 0.000 2.472 525 S HA 0.458 4.928 4.470 -0.000 0.000 0.303 525 S C -0.542 173.561 174.600 -0.828 0.000 1.099 525 S CA -1.023 57.025 58.200 -0.253 0.000 1.077 525 S CB 1.198 64.296 63.200 -0.170 0.000 1.031 525 S HN 0.141 nan 8.310 nan 0.000 0.487 526 K N 1.631 121.516 120.400 -0.859 0.000 2.504 526 K HA 0.100 4.420 4.320 -0.000 0.000 0.278 526 K C 0.900 176.735 176.600 -1.274 0.000 1.025 526 K CA 0.324 55.868 56.287 -1.239 0.000 1.093 526 K CB 0.124 32.319 32.500 -0.510 0.000 0.873 526 K HN 0.841 nan 8.250 nan 0.000 0.483 527 G N 2.037 109.584 108.800 -2.088 0.000 3.134 527 G HA2 0.297 4.257 3.960 -0.000 0.000 0.158 527 G HA3 0.297 4.257 3.960 -0.000 0.000 0.158 527 G C -0.701 173.953 174.900 -0.411 0.000 1.334 527 G CA -0.184 44.345 45.100 -0.951 0.000 1.001 527 G HN 0.495 nan 8.290 nan 0.000 0.600 528 T N -0.441 114.072 114.554 -0.069 0.000 2.893 528 T HA 0.555 4.905 4.350 -0.000 0.000 0.293 528 T C -0.997 173.671 174.700 -0.052 0.000 1.027 528 T CA -0.246 61.788 62.100 -0.110 0.000 0.988 528 T CB 2.145 70.876 68.868 -0.228 0.000 1.043 528 T HN 0.283 nan 8.240 nan 0.000 0.461 529 V N 3.048 122.849 119.914 -0.188 0.000 2.513 529 V HA 0.524 4.644 4.120 -0.000 0.000 0.299 529 V C -1.357 174.534 176.094 -0.337 0.000 1.035 529 V CA -0.817 61.386 62.300 -0.161 0.000 0.889 529 V CB 1.190 32.971 31.823 -0.070 0.000 0.988 529 V HN 0.816 nan 8.190 nan 0.000 0.440 530 Y N 3.577 123.782 120.300 -0.157 0.000 2.341 530 Y HA 0.594 5.144 4.550 -0.000 0.000 0.338 530 Y C -0.444 175.274 175.900 -0.303 0.000 0.965 530 Y CA -0.901 57.139 58.100 -0.100 0.000 1.108 530 Y CB 1.584 40.018 38.460 -0.044 0.000 1.180 530 Y HN 0.516 nan 8.280 nan 0.000 0.458 531 F N 2.751 122.734 119.950 0.055 0.000 2.310 531 F HA 0.533 5.060 4.527 -0.000 0.000 0.365 531 F C 0.968 176.849 175.800 0.134 0.000 1.080 531 F CA -0.191 57.791 58.000 -0.030 0.000 1.187 531 F CB 0.656 39.497 39.000 -0.265 0.000 1.465 531 F HN 0.821 nan 8.300 nan 0.000 0.496 532 G N 1.899 110.907 108.800 0.347 0.000 2.559 532 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.282 532 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.282 532 G C 1.095 176.153 174.900 0.263 0.000 1.177 532 G CA 0.375 45.697 45.100 0.370 0.000 0.960 532 G HN 0.599 nan 8.290 nan 0.000 0.540 533 T N -1.287 113.420 114.554 0.255 0.000 3.044 533 T HA 0.390 4.740 4.350 -0.000 0.000 0.250 533 T C 1.119 175.983 174.700 0.273 0.000 1.081 533 T CA 1.452 63.684 62.100 0.220 0.000 1.040 533 T CB 0.058 69.017 68.868 0.152 0.000 0.962 533 T HN 0.824 nan 8.240 nan 0.000 0.506 534 T N 3.336 118.038 114.554 0.247 0.000 2.834 534 T HA 0.569 4.919 4.350 -0.000 0.000 0.298 534 T C 0.280 175.062 174.700 0.138 0.000 0.966 534 T CA -0.374 61.828 62.100 0.169 0.000 1.141 534 T CB 0.695 69.626 68.868 0.105 0.000 0.905 534 T HN 0.527 nan 8.240 nan 0.000 0.535 535 A N 3.331 126.162 122.820 0.017 0.000 2.303 535 A HA 0.708 5.028 4.320 -0.000 0.000 0.317 535 A C -0.443 177.037 177.584 -0.174 0.000 1.149 535 A CA -0.627 51.264 52.037 -0.245 0.000 0.822 535 A CB 0.789 19.652 19.000 -0.229 0.000 1.131 535 A HN 0.679 nan 8.150 nan 0.000 0.493 536 V N 2.083 121.855 119.914 -0.236 0.000 2.623 536 V HA 0.694 4.813 4.120 -0.000 0.000 0.304 536 V C -0.103 175.913 176.094 -0.130 0.000 1.054 536 V CA 0.054 62.284 62.300 -0.117 0.000 0.882 536 V CB 1.495 33.310 31.823 -0.012 0.000 1.002 536 V HN 1.330 nan 8.190 nan 0.000 0.424 537 S N 2.727 118.366 115.700 -0.102 0.000 2.625 537 S HA 0.981 5.451 4.470 -0.000 0.000 0.271 537 S C 0.085 174.639 174.600 -0.077 0.000 1.161 537 S CA 0.177 58.316 58.200 -0.100 0.000 0.820 537 S CB 1.770 64.892 63.200 -0.130 0.000 1.137 537 S HN 2.287 nan 8.310 nan 0.000 0.470 538 G N 1.378 110.128 108.800 -0.084 0.000 2.512 538 G HA2 0.110 4.070 3.960 -0.000 0.000 0.254 538 G HA3 0.110 4.070 3.960 -0.000 0.000 0.254 538 G C 1.076 175.950 174.900 -0.044 0.000 1.199 538 G CA 1.025 46.085 45.100 -0.067 0.000 0.941 538 G HN 2.007 nan 8.290 nan 0.000 0.569 539 A N -0.870 121.927 122.820 -0.038 0.000 1.909 539 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 539 A C 2.044 179.615 177.584 -0.022 0.000 1.223 539 A CA 3.110 55.130 52.037 -0.028 0.000 0.658 539 A CB -0.975 18.007 19.000 -0.029 0.000 0.831 539 A HN 0.889 nan 8.150 nan 0.000 0.462 540 D N -0.385 119.998 120.400 -0.029 0.000 2.271 540 D HA -0.087 4.553 4.640 -0.000 0.000 0.207 540 D C 0.638 176.933 176.300 -0.008 0.000 0.983 540 D CA 0.736 54.718 54.000 -0.030 0.000 0.878 540 D CB -0.323 40.447 40.800 -0.050 0.000 0.920 540 D HN 0.527 nan 8.370 nan 0.000 0.479 541 I N 1.735 122.310 120.570 0.008 0.000 2.260 541 I HA -0.020 4.150 4.170 -0.000 0.000 0.297 541 I C 1.814 177.960 176.117 0.047 0.000 1.143 541 I CA -0.111 61.218 61.300 0.050 0.000 1.271 541 I CB 0.902 38.959 38.000 0.094 0.000 1.461 541 I HN -0.078 nan 8.210 nan 0.000 0.530 542 T N 1.044 115.618 114.554 0.033 0.000 2.788 542 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 542 T C 0.820 175.548 174.700 0.046 0.000 1.044 542 T CA 0.857 62.972 62.100 0.026 0.000 1.139 542 T CB 0.101 68.974 68.868 0.009 0.000 0.867 542 T HN 0.517 nan 8.240 nan 0.000 0.454 543 S N -0.494 115.249 115.700 0.072 0.000 2.543 543 S HA 0.490 4.959 4.470 -0.000 0.000 0.271 543 S C -2.320 172.384 174.600 0.173 0.000 1.148 543 S CA -0.932 57.327 58.200 0.098 0.000 0.914 543 S CB 1.610 64.841 63.200 0.052 0.000 1.096 543 S HN 0.508 nan 8.310 nan 0.000 0.471 544 W N 5.458 126.753 121.300 -0.009 0.000 2.968 544 W HA 0.568 5.228 4.660 -0.000 0.000 0.337 544 W C -1.312 175.230 176.519 0.039 0.000 1.060 544 W CA -0.592 56.755 57.345 0.003 0.000 1.240 544 W CB 1.497 30.944 29.460 -0.021 0.000 1.370 544 W HN 1.044 nan 8.180 nan 0.000 0.459 545 E N 1.640 121.904 120.200 0.107 0.000 2.449 545 E HA 0.242 4.592 4.350 -0.000 0.000 0.278 545 E C -0.251 176.401 176.600 0.086 0.000 0.992 545 E CA -0.635 55.863 56.400 0.163 0.000 0.807 545 E CB 1.849 31.614 29.700 0.107 0.000 1.350 545 E HN 0.152 nan 8.360 nan 0.000 0.462 546 D N 0.041 120.509 120.400 0.113 0.000 2.149 546 D HA -0.208 4.431 4.640 -0.000 0.000 0.194 546 D C 1.698 177.908 176.300 -0.150 0.000 1.001 546 D CA 2.948 56.974 54.000 0.042 0.000 0.849 546 D CB 0.131 40.945 40.800 0.022 0.000 0.939 546 D HN 0.607 nan 8.370 nan 0.000 0.449 547 T N -3.553 110.940 114.554 -0.101 0.000 3.044 547 T HA 0.110 4.460 4.350 -0.000 0.000 0.250 547 T C 0.652 175.340 174.700 -0.019 0.000 1.081 547 T CA -0.342 61.655 62.100 -0.171 0.000 1.040 547 T CB 0.436 69.247 68.868 -0.096 0.000 0.962 547 T HN 0.163 nan 8.240 nan 0.000 0.506 548 Q N -0.195 119.661 119.800 0.094 0.000 2.418 548 Q HA 0.686 5.026 4.340 -0.000 0.000 0.282 548 Q C -2.193 173.760 176.000 -0.078 0.000 1.044 548 Q CA -1.030 54.816 55.803 0.073 0.000 0.813 548 Q CB 2.167 30.906 28.738 0.002 0.000 1.428 548 Q HN 0.435 nan 8.270 nan 0.000 0.402 549 I N 2.146 122.601 120.570 -0.191 0.000 2.607 549 I HA 0.423 4.593 4.170 -0.000 0.000 0.290 549 I C -1.079 174.944 176.117 -0.156 0.000 1.129 549 I CA -0.699 60.414 61.300 -0.312 0.000 1.042 549 I CB 2.331 39.908 38.000 -0.705 0.000 1.242 549 I HN 0.391 nan 8.210 nan 0.000 0.421 550 K N 5.193 125.553 120.400 -0.065 0.000 2.394 550 K HA 0.701 5.021 4.320 -0.000 0.000 0.260 550 K C -1.424 175.173 176.600 -0.005 0.000 0.967 550 K CA -0.561 55.708 56.287 -0.030 0.000 0.855 550 K CB 2.748 35.242 32.500 -0.010 0.000 1.101 550 K HN 0.341 nan 8.250 nan 0.000 0.433 551 V N 2.922 122.833 119.914 -0.005 0.000 3.007 551 V HA 0.390 4.510 4.120 -0.000 0.000 0.311 551 V C -1.395 174.705 176.094 0.011 0.000 1.120 551 V CA -0.938 61.375 62.300 0.021 0.000 0.980 551 V CB 2.081 33.938 31.823 0.057 0.000 1.033 551 V HN 0.638 nan 8.190 nan 0.000 0.429 552 K N 5.387 125.772 120.400 -0.025 0.000 2.258 552 K HA 0.519 4.839 4.320 -0.000 0.000 0.284 552 K C -0.498 175.980 176.600 -0.203 0.000 1.051 552 K CA -0.247 55.994 56.287 -0.078 0.000 0.923 552 K CB 1.166 33.621 32.500 -0.074 0.000 1.046 552 K HN 0.590 nan 8.250 nan 0.000 0.474 553 I N 6.322 126.736 120.570 -0.259 0.000 2.662 553 I HA -0.006 4.164 4.170 -0.000 0.000 0.285 553 I C -1.756 174.056 176.117 -0.508 0.000 1.161 553 I CA -1.667 59.291 61.300 -0.571 0.000 1.415 553 I CB -0.059 37.761 38.000 -0.300 0.000 1.385 553 I HN 0.362 nan 8.210 nan 0.000 0.552 554 P HA 0.004 nan 4.420 nan 0.000 0.270 554 P C -0.477 176.643 177.300 -0.300 0.000 1.223 554 P CA -0.440 62.415 63.100 -0.407 0.000 0.785 554 P CB 0.593 32.060 31.700 -0.388 0.000 0.923 555 A N 2.338 125.051 122.820 -0.179 0.000 3.026 555 A HA 0.382 4.702 4.320 -0.000 0.000 0.272 555 A C 0.627 178.156 177.584 -0.091 0.000 1.782 555 A CA -0.328 51.640 52.037 -0.116 0.000 1.451 555 A CB -1.453 17.503 19.000 -0.073 0.000 1.081 555 A HN 0.417 nan 8.150 nan 0.000 0.611 556 V N -1.392 118.451 119.914 -0.117 0.000 3.096 556 V HA 0.885 5.005 4.120 -0.000 0.000 0.319 556 V C 0.675 176.795 176.094 0.044 0.000 1.082 556 V CA -0.802 61.469 62.300 -0.049 0.000 1.022 556 V CB 0.875 32.612 31.823 -0.144 0.000 1.103 556 V HN 0.990 nan 8.190 nan 0.000 0.455 557 A N 1.137 124.038 122.820 0.135 0.000 2.520 557 A HA 0.539 4.859 4.320 -0.000 0.000 0.235 557 A C 0.938 178.653 177.584 0.218 0.000 1.065 557 A CA 0.376 52.503 52.037 0.151 0.000 0.764 557 A CB -0.591 18.499 19.000 0.150 0.000 1.002 557 A HN 2.048 nan 8.150 nan 0.000 0.502 558 G N 0.195 109.080 108.800 0.142 0.000 2.340 558 G HA2 0.566 4.526 3.960 -0.000 0.000 0.245 558 G HA3 0.566 4.526 3.960 -0.000 0.000 0.245 558 G C 0.388 175.385 174.900 0.162 0.000 1.294 558 G CA 0.583 45.771 45.100 0.146 0.000 0.896 558 G HN 1.782 nan 8.290 nan 0.000 0.522 559 G N 1.038 109.970 108.800 0.220 0.000 2.321 559 G HA2 0.247 4.207 3.960 -0.000 0.000 0.296 559 G HA3 0.247 4.207 3.960 -0.000 0.000 0.296 559 G C -1.333 173.599 174.900 0.054 0.000 1.287 559 G CA -0.921 44.211 45.100 0.053 0.000 0.846 559 G HN 0.710 nan 8.290 nan 0.000 0.508 560 N N -0.013 118.599 118.700 -0.146 0.000 2.426 560 N HA 0.590 5.330 4.740 -0.000 0.000 0.275 560 N C -1.395 173.990 175.510 -0.208 0.000 1.019 560 N CA -0.049 52.969 53.050 -0.053 0.000 0.941 560 N CB 1.038 39.501 38.487 -0.040 0.000 1.123 560 N HN 0.372 nan 8.380 nan 0.000 0.486 561 Y N 1.016 121.450 120.300 0.224 0.000 2.602 561 Y HA 0.368 4.918 4.550 0.000 0.000 0.342 561 Y C 0.055 176.081 175.900 0.210 0.000 1.029 561 Y CA -1.037 57.206 58.100 0.239 0.000 1.080 561 Y CB 1.384 40.054 38.460 0.350 0.000 1.284 561 Y HN 0.407 nan 8.280 nan 0.000 0.485 562 N N 1.488 120.374 118.700 0.310 0.000 2.400 562 N HA 0.469 5.209 4.740 -0.000 0.000 0.288 562 N C -1.142 174.421 175.510 0.088 0.000 1.024 562 N CA -0.358 52.796 53.050 0.173 0.000 0.894 562 N CB 1.377 39.926 38.487 0.103 0.000 1.173 562 N HN 0.502 nan 8.380 nan 0.000 0.487 563 I N 1.228 121.802 120.570 0.008 0.000 2.392 563 I HA 0.372 4.542 4.170 -0.000 0.000 0.295 563 I C 0.306 176.366 176.117 -0.095 0.000 0.985 563 I CA -0.507 60.672 61.300 -0.201 0.000 1.221 563 I CB 1.405 39.180 38.000 -0.376 0.000 1.366 563 I HN 0.261 nan 8.210 nan 0.000 0.467 564 K N 5.524 125.860 120.400 -0.107 0.000 2.551 564 K HA 0.719 5.039 4.320 -0.000 0.000 0.269 564 K C -1.787 174.851 176.600 0.062 0.000 0.949 564 K CA -0.616 55.662 56.287 -0.015 0.000 0.849 564 K CB 2.830 35.317 32.500 -0.023 0.000 1.411 564 K HN 0.427 nan 8.250 nan 0.000 0.432 565 V N -0.989 118.959 119.914 0.058 0.000 3.040 565 V HA 0.987 5.107 4.120 -0.000 0.000 0.312 565 V C -1.525 174.691 176.094 0.204 0.000 1.115 565 V CA -0.555 61.810 62.300 0.109 0.000 0.998 565 V CB 1.658 33.381 31.823 -0.167 0.000 1.042 565 V HN 0.924 nan 8.190 nan 0.000 0.433 566 A N 2.891 125.899 122.820 0.313 0.000 2.374 566 A HA 0.822 5.142 4.320 -0.000 0.000 0.305 566 A C -0.299 177.471 177.584 0.311 0.000 1.053 566 A CA -0.616 51.588 52.037 0.278 0.000 0.726 566 A CB 1.163 20.334 19.000 0.284 0.000 1.229 566 A HN 1.449 nan 8.150 nan 0.000 0.431 567 N N 1.548 120.413 118.700 0.275 0.000 2.317 567 N HA 0.339 5.079 4.740 -0.000 0.000 0.245 567 N C 1.160 176.705 175.510 0.058 0.000 1.294 567 N CA 0.176 53.387 53.050 0.269 0.000 0.924 567 N CB 0.365 39.012 38.487 0.266 0.000 1.186 567 N HN 0.692 nan 8.380 nan 0.000 0.495 568 A N -0.326 122.462 122.820 -0.054 0.000 1.986 568 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 568 A C 2.020 179.582 177.584 -0.038 0.000 1.171 568 A CA 2.039 54.005 52.037 -0.118 0.000 0.640 568 A CB -1.434 17.473 19.000 -0.155 0.000 0.811 568 A HN 0.904 nan 8.150 nan 0.000 0.451 569 A N -1.984 120.841 122.820 0.009 0.000 2.235 569 A HA 0.388 4.708 4.320 -0.000 0.000 0.208 569 A C 1.846 179.448 177.584 0.030 0.000 1.172 569 A CA 1.256 53.305 52.037 0.020 0.000 0.786 569 A CB -0.933 18.086 19.000 0.032 0.000 0.804 569 A HN 1.917 nan 8.150 nan 0.000 0.479 570 G N -1.648 107.178 108.800 0.044 0.000 2.157 570 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.239 570 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.239 570 G C 0.295 175.235 174.900 0.066 0.000 0.982 570 G CA 0.315 45.450 45.100 0.057 0.000 0.650 570 G HN 0.686 nan 8.290 nan 0.000 0.527 571 T N 1.573 116.174 114.554 0.078 0.000 2.779 571 T HA 0.622 4.972 4.350 -0.000 0.000 0.296 571 T C 0.694 175.450 174.700 0.095 0.000 0.938 571 T CA 0.507 62.652 62.100 0.075 0.000 1.119 571 T CB 1.701 70.615 68.868 0.076 0.000 0.891 571 T HN 1.297 nan 8.240 nan 0.000 0.526 572 A N 3.436 126.291 122.820 0.058 0.000 2.302 572 A HA 0.699 5.019 4.320 -0.000 0.000 0.285 572 A C 0.775 178.393 177.584 0.056 0.000 1.105 572 A CA -0.729 51.336 52.037 0.047 0.000 0.816 572 A CB 0.445 19.429 19.000 -0.027 0.000 1.067 572 A HN 0.881 nan 8.150 nan 0.000 0.489 573 S N 1.397 117.136 115.700 0.066 0.000 2.745 573 S HA 0.464 4.934 4.470 -0.000 0.000 0.292 573 S C 0.234 174.861 174.600 0.045 0.000 1.127 573 S CA -0.586 57.660 58.200 0.077 0.000 1.007 573 S CB 0.431 63.707 63.200 0.128 0.000 1.165 573 S HN 0.941 nan 8.310 nan 0.000 0.544 574 N N -0.123 118.610 118.700 0.055 0.000 2.288 574 N HA 0.154 4.894 4.740 -0.000 0.000 0.237 574 N C -0.693 174.852 175.510 0.059 0.000 1.311 574 N CA -0.417 52.661 53.050 0.046 0.000 0.909 574 N CB -0.133 38.385 38.487 0.051 0.000 1.167 574 N HN 0.445 nan 8.380 nan 0.000 0.476 575 V N 0.603 120.548 119.914 0.051 0.000 2.398 575 V HA 0.176 4.296 4.120 -0.000 0.000 0.286 575 V C -0.984 175.167 176.094 0.095 0.000 1.026 575 V CA -0.714 61.621 62.300 0.058 0.000 0.868 575 V CB 0.296 32.134 31.823 0.024 0.000 0.982 575 V HN 0.608 nan 8.190 nan 0.000 0.443 576 Y N 5.601 125.894 120.300 -0.012 0.000 2.335 576 Y HA 0.468 5.018 4.550 0.000 0.000 0.339 576 Y C 0.322 176.234 175.900 0.020 0.000 0.987 576 Y CA -0.713 57.385 58.100 -0.002 0.000 1.140 576 Y CB 0.891 39.332 38.460 -0.033 0.000 1.173 576 Y HN 0.841 nan 8.280 nan 0.000 0.486 577 D N 2.224 122.592 120.400 -0.053 0.000 2.592 577 D HA 0.218 4.858 4.640 -0.000 0.000 0.259 577 D C -0.229 176.124 176.300 0.089 0.000 1.144 577 D CA -0.826 53.204 54.000 0.049 0.000 1.080 577 D CB 0.831 41.629 40.800 -0.004 0.000 1.225 577 D HN 0.519 nan 8.370 nan 0.000 0.619 578 N N -2.305 116.463 118.700 0.113 0.000 2.829 578 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 578 N C -1.326 174.290 175.510 0.178 0.000 1.090 578 N CA 0.118 53.230 53.050 0.104 0.000 0.781 578 N CB -2.017 36.492 38.487 0.037 0.000 1.124 578 N HN 0.420 nan 8.380 nan 0.000 0.559 579 F N 1.852 121.896 119.950 0.155 0.000 2.472 579 F HA 0.329 4.856 4.527 -0.000 0.000 0.364 579 F C 0.754 176.687 175.800 0.222 0.000 1.090 579 F CA -0.233 57.887 58.000 0.200 0.000 1.188 579 F CB 0.591 39.734 39.000 0.239 0.000 1.105 579 F HN 0.096 nan 8.300 nan 0.000 0.536 580 E N 5.689 125.518 120.200 -0.617 0.000 2.113 580 E HA 0.349 4.699 4.350 -0.000 0.000 0.273 580 E C -1.472 174.916 176.600 -0.352 0.000 0.924 580 E CA -0.656 55.559 56.400 -0.307 0.000 0.764 580 E CB 1.306 30.887 29.700 -0.198 0.000 1.104 580 E HN 0.454 nan 8.360 nan 0.000 0.406 581 V N 6.744 126.693 119.914 0.058 0.000 2.348 581 V HA 0.201 4.321 4.120 -0.000 0.000 0.270 581 V C 0.534 176.669 176.094 0.069 0.000 1.037 581 V CA -0.455 61.916 62.300 0.119 0.000 0.872 581 V CB 0.720 32.696 31.823 0.254 0.000 1.002 581 V HN 0.683 nan 8.190 nan 0.000 0.464 582 L N 3.491 124.718 121.223 0.007 0.000 2.476 582 L HA 0.183 4.523 4.340 -0.000 0.000 0.264 582 L C 1.522 178.404 176.870 0.021 0.000 1.224 582 L CA 0.071 54.912 54.840 0.003 0.000 0.821 582 L CB 0.548 42.596 42.059 -0.019 0.000 1.101 582 L HN 0.621 nan 8.230 nan 0.000 0.488 583 S N -0.078 115.631 115.700 0.015 0.000 2.562 583 S HA 0.265 4.735 4.470 -0.000 0.000 0.221 583 S C 0.508 175.112 174.600 0.005 0.000 0.975 583 S CA 0.470 58.680 58.200 0.016 0.000 0.918 583 S CB 0.164 63.371 63.200 0.012 0.000 0.772 583 S HN 0.951 nan 8.310 nan 0.000 0.531 584 G N 0.722 109.522 108.800 0.000 0.000 2.352 584 G HA2 0.106 4.066 3.960 -0.000 0.000 0.283 584 G HA3 0.106 4.066 3.960 -0.000 0.000 0.283 584 G C -2.206 172.689 174.900 -0.008 0.000 1.308 584 G CA -1.021 44.077 45.100 -0.005 0.000 0.892 584 G HN 0.064 nan 8.290 nan 0.000 0.504 585 D N 0.990 121.385 120.400 -0.008 0.000 2.419 585 D HA 0.275 4.915 4.640 -0.000 0.000 0.236 585 D C 0.186 176.480 176.300 -0.009 0.000 1.165 585 D CA 0.659 54.651 54.000 -0.013 0.000 0.882 585 D CB 0.632 41.425 40.800 -0.011 0.000 1.201 585 D HN 0.331 nan 8.370 nan 0.000 0.443 586 Q N 0.200 119.989 119.800 -0.017 0.000 2.348 586 Q HA 0.604 4.944 4.340 -0.000 0.000 0.271 586 Q C -0.304 175.701 176.000 0.008 0.000 1.067 586 Q CA -1.029 54.772 55.803 -0.004 0.000 0.839 586 Q CB 2.402 31.129 28.738 -0.018 0.000 1.354 586 Q HN 0.345 nan 8.270 nan 0.000 0.447 587 V N -2.438 117.502 119.914 0.044 0.000 2.925 587 V HA 0.652 4.772 4.120 -0.000 0.000 0.311 587 V C -0.407 175.758 176.094 0.119 0.000 1.104 587 V CA -0.902 61.445 62.300 0.078 0.000 0.954 587 V CB 2.020 33.895 31.823 0.087 0.000 1.022 587 V HN 0.675 nan 8.190 nan 0.000 0.427 588 S N 1.835 117.634 115.700 0.165 0.000 2.452 588 S HA 0.729 5.199 4.470 -0.000 0.000 0.284 588 S C -0.512 174.203 174.600 0.193 0.000 1.171 588 S CA -0.316 58.017 58.200 0.222 0.000 1.064 588 S CB 0.575 64.003 63.200 0.380 0.000 0.967 588 S HN 0.837 nan 8.310 nan 0.000 0.484 589 V N 6.009 126.024 119.914 0.169 0.000 2.604 589 V HA 0.539 4.659 4.120 -0.000 0.000 0.305 589 V C 0.078 176.173 176.094 0.001 0.000 1.043 589 V CA -1.014 61.300 62.300 0.024 0.000 0.888 589 V CB 1.841 33.609 31.823 -0.091 0.000 0.995 589 V HN 0.828 nan 8.190 nan 0.000 0.429 590 R N 3.336 123.779 120.500 -0.094 0.000 2.229 590 R HA 0.532 4.872 4.340 -0.000 0.000 0.328 590 R C -1.628 174.561 176.300 -0.185 0.000 1.009 590 R CA -0.319 55.786 56.100 0.009 0.000 0.864 590 R CB 0.589 30.948 30.300 0.098 0.000 1.085 590 R HN 0.505 nan 8.270 nan 0.000 0.453 591 F N 3.944 123.905 119.950 0.019 0.000 2.420 591 F HA 0.389 4.916 4.527 -0.000 0.000 0.342 591 F C -0.208 175.624 175.800 0.053 0.000 1.113 591 F CA -0.623 57.378 58.000 0.002 0.000 1.059 591 F CB 1.983 41.006 39.000 0.038 0.000 1.128 591 F HN 0.113 nan 8.300 nan 0.000 0.475 592 V N 4.496 124.477 119.914 0.111 0.000 2.531 592 V HA 0.483 4.603 4.120 -0.000 0.000 0.301 592 V C -0.938 175.089 176.094 -0.111 0.000 1.034 592 V CA -0.890 61.358 62.300 -0.086 0.000 0.865 592 V CB 1.968 33.575 31.823 -0.360 0.000 0.995 592 V HN 0.522 nan 8.190 nan 0.000 0.424 593 V N 6.019 125.800 119.914 -0.221 0.000 2.448 593 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 593 V C -0.403 175.625 176.094 -0.111 0.000 1.025 593 V CA -0.451 61.623 62.300 -0.376 0.000 0.859 593 V CB 1.795 33.012 31.823 -1.010 0.000 0.988 593 V HN 0.941 nan 8.190 nan 0.000 0.431 594 N N 5.433 124.105 118.700 -0.047 0.000 2.473 594 N HA 0.389 5.129 4.740 -0.000 0.000 0.291 594 N C -0.325 175.219 175.510 0.055 0.000 1.083 594 N CA -0.375 52.686 53.050 0.018 0.000 0.951 594 N CB 1.080 39.581 38.487 0.023 0.000 1.164 594 N HN 0.760 nan 8.380 nan 0.000 0.480 595 N N -0.419 118.292 118.700 0.017 0.000 2.756 595 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 595 N C -0.988 174.483 175.510 -0.065 0.000 1.062 595 N CA 0.421 53.459 53.050 -0.019 0.000 0.696 595 N CB -1.149 37.356 38.487 0.029 0.000 0.946 595 N HN 0.690 nan 8.380 nan 0.000 0.548 596 A N 0.579 123.335 122.820 -0.107 0.000 2.880 596 A HA 0.445 4.765 4.320 -0.000 0.000 0.328 596 A C 0.937 178.377 177.584 -0.239 0.000 1.440 596 A CA -0.160 51.666 52.037 -0.351 0.000 1.068 596 A CB 0.029 18.745 19.000 -0.473 0.000 1.163 596 A HN 0.299 nan 8.150 nan 0.000 0.510 597 T N 0.431 114.822 114.554 -0.272 0.000 2.918 597 T HA 0.578 4.928 4.350 -0.000 0.000 0.302 597 T C 0.387 175.116 174.700 0.048 0.000 1.045 597 T CA 0.376 62.446 62.100 -0.051 0.000 1.114 597 T CB 0.934 69.789 68.868 -0.022 0.000 0.965 597 T HN 1.033 nan 8.240 nan 0.000 0.540 598 T N -1.411 113.348 114.554 0.340 0.000 2.754 598 T HA 0.766 5.115 4.350 -0.000 0.000 0.296 598 T C -0.647 174.143 174.700 0.150 0.000 1.205 598 T CA -0.800 61.410 62.100 0.182 0.000 1.009 598 T CB 1.252 70.256 68.868 0.227 0.000 1.368 598 T HN 1.118 nan 8.240 nan 0.000 0.509 599 A N 0.507 123.373 122.820 0.076 0.000 2.299 599 A HA 0.789 5.109 4.320 -0.000 0.000 0.332 599 A C -0.048 177.554 177.584 0.031 0.000 1.131 599 A CA -1.061 51.000 52.037 0.041 0.000 0.844 599 A CB 0.472 19.489 19.000 0.029 0.000 1.251 599 A HN 0.947 nan 8.150 nan 0.000 0.486 600 L N 1.199 122.424 121.223 0.004 0.000 2.601 600 L HA 0.274 4.614 4.340 -0.000 0.000 0.277 600 L C 1.537 178.423 176.870 0.026 0.000 1.219 600 L CA 1.704 56.545 54.840 0.001 0.000 0.915 600 L CB 0.078 42.130 42.059 -0.012 0.000 1.160 600 L HN 1.301 nan 8.230 nan 0.000 0.494 601 G N 2.309 111.134 108.800 0.043 0.000 2.195 601 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 601 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 601 G C 0.172 175.117 174.900 0.076 0.000 0.984 601 G CA 0.218 45.352 45.100 0.056 0.000 0.633 601 G HN 0.610 nan 8.290 nan 0.000 0.525 602 Q N 0.852 120.701 119.800 0.081 0.000 2.314 602 Q HA 0.553 4.893 4.340 -0.000 0.000 0.259 602 Q C -0.421 175.647 176.000 0.114 0.000 0.951 602 Q CA -0.714 55.136 55.803 0.078 0.000 0.909 602 Q CB 0.449 29.211 28.738 0.041 0.000 1.236 602 Q HN 0.419 nan 8.270 nan 0.000 0.444 603 N N 1.981 120.742 118.700 0.102 0.000 2.457 603 N HA 0.443 5.183 4.740 -0.000 0.000 0.290 603 N C -1.199 174.170 175.510 -0.235 0.000 1.232 603 N CA -0.513 52.534 53.050 -0.005 0.000 0.852 603 N CB 2.055 40.582 38.487 0.066 0.000 1.313 603 N HN 0.301 nan 8.380 nan 0.000 0.522 604 V N 1.696 121.143 119.914 -0.778 0.000 2.532 604 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 604 V C -0.973 174.881 176.094 -0.400 0.000 1.041 604 V CA -0.246 61.667 62.300 -0.645 0.000 0.926 604 V CB 0.448 31.514 31.823 -1.263 0.000 0.992 604 V HN 0.518 nan 8.190 nan 0.000 0.457 605 Y N 3.438 123.645 120.300 -0.154 0.000 2.634 605 Y HA 0.769 5.319 4.550 -0.000 0.000 0.340 605 Y C -0.386 175.497 175.900 -0.028 0.000 1.058 605 Y CA -1.247 56.778 58.100 -0.126 0.000 1.081 605 Y CB 1.790 40.148 38.460 -0.169 0.000 1.295 605 Y HN 0.515 nan 8.280 nan 0.000 0.487 606 L N 0.635 121.866 121.223 0.013 0.000 2.365 606 L HA 0.872 5.212 4.340 -0.000 0.000 0.273 606 L C -0.636 176.096 176.870 -0.230 0.000 1.000 606 L CA 0.011 54.715 54.840 -0.227 0.000 0.819 606 L CB 2.174 43.978 42.059 -0.426 0.000 1.284 606 L HN 0.694 nan 8.230 nan 0.000 0.418 607 T N 2.509 116.919 114.554 -0.241 0.000 2.883 607 T HA 0.926 5.276 4.350 -0.000 0.000 0.301 607 T C -0.689 173.806 174.700 -0.342 0.000 1.158 607 T CA 0.042 62.026 62.100 -0.193 0.000 1.007 607 T CB 1.501 70.360 68.868 -0.016 0.000 1.186 607 T HN 1.115 nan 8.240 nan 0.000 0.499 608 G N 0.323 108.721 108.800 -0.669 0.000 2.554 608 G HA2 0.421 4.381 3.960 -0.000 0.000 0.306 608 G HA3 0.421 4.381 3.960 -0.000 0.000 0.306 608 G C 0.477 174.515 174.900 -1.437 0.000 1.320 608 G CA 0.118 44.522 45.100 -1.161 0.000 0.800 608 G HN 0.978 nan 8.290 nan 0.000 0.481 609 S N -1.304 113.808 115.700 -0.979 0.000 2.660 609 S HA 0.250 4.720 4.470 -0.000 0.000 0.228 609 S C 0.866 175.336 174.600 -0.217 0.000 0.966 609 S CA 0.766 58.694 58.200 -0.454 0.000 0.940 609 S CB -0.940 62.279 63.200 0.032 0.000 0.773 609 S HN 1.680 nan 8.310 nan 0.000 0.535 610 V N -1.695 118.081 119.914 -0.230 0.000 3.001 610 V HA 0.651 4.771 4.120 -0.000 0.000 0.314 610 V C 1.200 177.233 176.094 -0.103 0.000 1.099 610 V CA -0.483 61.752 62.300 -0.107 0.000 0.989 610 V CB 1.229 33.019 31.823 -0.056 0.000 1.040 610 V HN 0.191 nan 8.190 nan 0.000 0.434 611 S N 0.574 116.246 115.700 -0.047 0.000 2.387 611 S HA -0.229 4.241 4.470 -0.000 0.000 0.230 611 S C 1.319 175.892 174.600 -0.044 0.000 1.035 611 S CA 1.824 60.003 58.200 -0.035 0.000 1.014 611 S CB -0.688 62.512 63.200 -0.000 0.000 0.836 611 S HN 0.907 nan 8.310 nan 0.000 0.466 612 E N 0.653 120.831 120.200 -0.036 0.000 2.333 612 E HA 0.081 4.431 4.350 -0.000 0.000 0.198 612 E C 0.972 177.539 176.600 -0.055 0.000 1.007 612 E CA 0.490 56.873 56.400 -0.028 0.000 0.845 612 E CB -0.187 29.512 29.700 -0.001 0.000 0.766 612 E HN 0.369 nan 8.360 nan 0.000 0.507 613 L N -1.398 119.763 121.223 -0.105 0.000 2.857 613 L HA 0.355 4.695 4.340 -0.000 0.000 0.249 613 L C 1.252 178.021 176.870 -0.168 0.000 1.172 613 L CA 0.663 55.402 54.840 -0.169 0.000 0.980 613 L CB 0.491 42.399 42.059 -0.250 0.000 1.299 613 L HN 0.184 nan 8.230 nan 0.000 0.535 614 G N -0.262 108.471 108.800 -0.111 0.000 2.176 614 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.253 614 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.253 614 G C 0.704 175.567 174.900 -0.062 0.000 0.979 614 G CA 0.154 45.210 45.100 -0.073 0.000 0.641 614 G HN 0.260 nan 8.290 nan 0.000 0.530 615 N N -1.105 117.509 118.700 -0.144 0.000 2.725 615 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 615 N C 0.910 176.457 175.510 0.062 0.000 1.031 615 N CA 1.903 54.877 53.050 -0.127 0.000 0.720 615 N CB -1.648 36.836 38.487 -0.005 0.000 0.930 615 N HN 1.281 nan 8.380 nan 0.000 0.543 616 W N -3.114 118.243 121.300 0.095 0.000 2.062 616 W HA -0.273 4.387 4.660 -0.000 0.000 0.257 616 W C 0.403 177.039 176.519 0.195 0.000 1.024 616 W CA 0.434 57.886 57.345 0.179 0.000 0.471 616 W CB -1.359 28.183 29.460 0.136 0.000 2.039 616 W HN 0.302 nan 8.180 nan 0.000 1.321 617 D N 0.906 121.461 120.400 0.258 0.000 2.339 617 D HA 0.167 4.807 4.640 -0.000 0.000 0.241 617 D C -0.776 175.573 176.300 0.081 0.000 1.183 617 D CA -2.020 52.083 54.000 0.170 0.000 0.859 617 D CB 1.145 41.999 40.800 0.090 0.000 1.067 617 D HN -0.189 nan 8.370 nan 0.000 0.484 618 P HA -0.133 nan 4.420 nan 0.000 0.218 618 P C 0.902 178.119 177.300 -0.137 0.000 1.146 618 P CA 0.970 64.004 63.100 -0.111 0.000 0.813 618 P CB 0.115 31.718 31.700 -0.161 0.000 0.778 619 A N -0.324 122.455 122.820 -0.067 0.000 2.172 619 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 619 A C 1.704 179.250 177.584 -0.063 0.000 1.154 619 A CA 1.173 53.166 52.037 -0.073 0.000 0.701 619 A CB -0.693 18.286 19.000 -0.035 0.000 0.789 619 A HN 0.219 nan 8.150 nan 0.000 0.465 620 K N -0.377 119.993 120.400 -0.050 0.000 2.478 620 K HA 0.407 4.727 4.320 -0.000 0.000 0.205 620 K C 0.264 176.839 176.600 -0.042 0.000 1.033 620 K CA 0.151 56.417 56.287 -0.035 0.000 1.091 620 K CB 0.722 33.208 32.500 -0.023 0.000 0.844 620 K HN 0.346 nan 8.250 nan 0.000 0.507 621 A N 1.627 124.404 122.820 -0.072 0.000 2.466 621 A HA 0.198 4.518 4.320 -0.000 0.000 0.238 621 A C 0.266 177.875 177.584 0.041 0.000 1.074 621 A CA -0.073 51.931 52.037 -0.055 0.000 0.774 621 A CB 0.123 19.046 19.000 -0.128 0.000 1.015 621 A HN 0.160 nan 8.150 nan 0.000 0.498 622 I N 1.786 122.354 120.570 -0.003 0.000 2.352 622 I HA 0.574 4.744 4.170 -0.000 0.000 0.290 622 I C 0.942 176.949 176.117 -0.184 0.000 1.036 622 I CA 1.090 62.355 61.300 -0.059 0.000 1.336 622 I CB -0.388 37.543 38.000 -0.114 0.000 1.407 622 I HN 0.980 nan 8.210 nan 0.000 0.497 623 G N 8.373 116.973 108.800 -0.333 0.000 2.350 623 G HA2 0.173 4.133 3.960 -0.000 0.000 0.276 623 G HA3 0.173 4.133 3.960 -0.000 0.000 0.276 623 G C -3.227 171.389 174.900 -0.472 0.000 1.313 623 G CA -0.748 43.868 45.100 -0.806 0.000 0.903 623 G HN 0.363 nan 8.290 nan 0.000 0.490 624 P HA 0.396 nan 4.420 nan 0.000 0.271 624 P C 0.302 177.185 177.300 -0.694 0.000 1.218 624 P CA -0.031 62.461 63.100 -1.013 0.000 0.780 624 P CB 0.400 31.821 31.700 -0.466 0.000 0.901 625 M N 1.534 120.796 119.600 -0.563 0.000 2.157 625 M HA 0.161 4.641 4.480 -0.000 0.000 0.304 625 M C 0.195 176.561 176.300 0.111 0.000 1.171 625 M CA 0.333 55.442 55.300 -0.318 0.000 1.157 625 M CB -0.050 32.542 32.600 -0.013 0.000 1.403 625 M HN 0.259 nan 8.290 nan 0.000 0.473 626 Y N 0.978 121.292 120.300 0.023 0.000 2.432 626 Y HA 0.297 4.847 4.550 -0.000 0.000 0.322 626 Y C 0.583 176.363 175.900 -0.200 0.000 1.246 626 Y CA -1.442 56.531 58.100 -0.212 0.000 1.268 626 Y CB 0.524 38.601 38.460 -0.639 0.000 1.276 626 Y HN 0.732 nan 8.280 nan 0.000 0.499 627 N N -1.923 116.790 118.700 0.023 0.000 2.194 627 N HA 0.064 4.804 4.740 -0.000 0.000 0.233 627 N C -0.391 175.105 175.510 -0.022 0.000 1.392 627 N CA -0.088 52.905 53.050 -0.095 0.000 0.790 627 N CB -0.279 37.728 38.487 -0.800 0.000 1.291 627 N HN 0.629 nan 8.380 nan 0.000 0.518 628 Q N -0.166 119.675 119.800 0.068 0.000 2.530 628 Q HA 0.313 4.653 4.340 -0.000 0.000 0.198 628 Q C 1.285 177.277 176.000 -0.014 0.000 0.956 628 Q CA 0.696 56.494 55.803 -0.009 0.000 0.870 628 Q CB 0.386 29.091 28.738 -0.055 0.000 1.050 628 Q HN 0.067 nan 8.270 nan 0.000 0.604 629 V N 0.757 120.669 119.914 -0.003 0.000 2.251 629 V HA -0.194 3.926 4.120 -0.000 0.000 0.233 629 V C 2.222 178.158 176.094 -0.264 0.000 1.041 629 V CA 1.544 63.780 62.300 -0.105 0.000 1.000 629 V CB -0.803 30.971 31.823 -0.082 0.000 0.643 629 V HN 0.169 nan 8.190 nan 0.000 0.460 630 V N -1.515 118.091 119.914 -0.513 0.000 2.282 630 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 630 V C 0.813 176.372 176.094 -0.891 0.000 1.057 630 V CA 1.743 63.541 62.300 -0.837 0.000 1.032 630 V CB -0.740 30.379 31.823 -1.174 0.000 0.645 630 V HN 0.520 nan 8.190 nan 0.000 0.447 631 Y N -0.434 119.478 120.300 -0.647 0.000 2.536 631 Y HA 0.638 5.188 4.550 -0.000 0.000 0.347 631 Y C -0.103 175.736 175.900 -0.101 0.000 1.000 631 Y CA -1.473 56.456 58.100 -0.285 0.000 1.051 631 Y CB 1.457 39.799 38.460 -0.196 0.000 1.259 631 Y HN 0.100 nan 8.280 nan 0.000 0.468 632 Q N 1.363 121.200 119.800 0.062 0.000 2.345 632 Q HA 0.277 4.617 4.340 -0.000 0.000 0.268 632 Q C -1.159 174.837 176.000 -0.006 0.000 1.054 632 Q CA -1.157 54.653 55.803 0.012 0.000 0.835 632 Q CB 2.129 30.858 28.738 -0.015 0.000 1.339 632 Q HN 0.816 nan 8.270 nan 0.000 0.447 633 Y N 3.603 123.771 120.300 -0.220 0.000 2.890 633 Y HA -0.051 4.499 4.550 -0.000 0.000 0.341 633 Y C -1.370 174.478 175.900 -0.087 0.000 1.269 633 Y CA -0.369 57.573 58.100 -0.263 0.000 1.517 633 Y CB 0.535 38.811 38.460 -0.307 0.000 1.314 633 Y HN 0.476 nan 8.280 nan 0.000 0.622 634 P HA 0.093 nan 4.420 nan 0.000 0.249 634 P C -1.218 175.931 177.300 -0.251 0.000 1.593 634 P CA 0.264 62.731 63.100 -1.054 0.000 0.896 634 P CB -0.116 31.033 31.700 -0.918 0.000 1.581 635 N N 0.534 119.146 118.700 -0.148 0.000 2.430 635 N HA 0.282 5.022 4.740 -0.000 0.000 0.292 635 N C -0.869 174.660 175.510 0.031 0.000 1.051 635 N CA -0.070 53.007 53.050 0.045 0.000 0.917 635 N CB 0.708 39.242 38.487 0.079 0.000 1.164 635 N HN 0.010 nan 8.380 nan 0.000 0.484 636 W N 1.980 123.277 121.300 -0.006 0.000 2.819 636 W HA 0.435 5.095 4.660 -0.000 0.000 0.337 636 W C -0.324 176.245 176.519 0.083 0.000 1.077 636 W CA -0.751 56.635 57.345 0.068 0.000 1.226 636 W CB 0.526 29.973 29.460 -0.022 0.000 1.419 636 W HN 0.414 nan 8.180 nan 0.000 0.502 637 Y N -0.125 120.299 120.300 0.207 0.000 2.638 637 Y HA 0.852 5.402 4.550 -0.000 0.000 0.339 637 Y C -1.887 174.201 175.900 0.313 0.000 1.084 637 Y CA -2.880 55.297 58.100 0.129 0.000 1.068 637 Y CB 1.728 40.164 38.460 -0.039 0.000 1.294 637 Y HN 0.475 nan 8.280 nan 0.000 0.480 638 Y N 0.346 120.692 120.300 0.077 0.000 2.452 638 Y HA 0.256 4.806 4.550 -0.000 0.000 0.323 638 Y C -1.960 174.055 175.900 0.193 0.000 1.244 638 Y CA -1.411 56.670 58.100 -0.031 0.000 1.158 638 Y CB 1.478 39.859 38.460 -0.132 0.000 1.332 638 Y HN 0.800 nan 8.280 nan 0.000 0.456 639 D N 4.388 124.727 120.400 -0.100 0.000 2.313 639 D HA 0.508 5.147 4.640 -0.000 0.000 0.239 639 D C -0.807 175.588 176.300 0.157 0.000 1.142 639 D CA 0.117 54.184 54.000 0.111 0.000 0.847 639 D CB 1.909 42.805 40.800 0.161 0.000 1.082 639 D HN 0.193 nan 8.370 nan 0.000 0.480 640 V N 1.288 121.386 119.914 0.307 0.000 2.680 640 V HA 0.288 4.408 4.120 -0.000 0.000 0.309 640 V C 0.249 176.496 176.094 0.254 0.000 1.052 640 V CA -0.872 61.606 62.300 0.298 0.000 0.908 640 V CB 2.145 34.155 31.823 0.312 0.000 1.001 640 V HN 0.488 nan 8.190 nan 0.000 0.431 641 S N 3.705 119.513 115.700 0.179 0.000 2.411 641 S HA 0.603 5.073 4.470 -0.000 0.000 0.294 641 S C -0.473 174.199 174.600 0.120 0.000 1.115 641 S CA -0.434 57.842 58.200 0.127 0.000 1.071 641 S CB 0.324 63.563 63.200 0.064 0.000 0.967 641 S HN 0.976 nan 8.310 nan 0.000 0.488 642 V N 2.889 122.889 119.914 0.143 0.000 3.113 642 V HA 0.829 4.949 4.120 -0.000 0.000 0.316 642 V C -2.917 173.223 176.094 0.077 0.000 1.125 642 V CA -3.055 59.322 62.300 0.129 0.000 1.026 642 V CB 1.395 33.358 31.823 0.232 0.000 1.080 642 V HN 0.577 nan 8.190 nan 0.000 0.444 643 P HA 0.305 nan 4.420 nan 0.000 0.271 643 P C -0.125 177.177 177.300 0.005 0.000 1.226 643 P CA 0.415 63.523 63.100 0.015 0.000 0.765 643 P CB 0.470 32.170 31.700 -0.000 0.000 0.835 644 A N 3.666 126.489 122.820 0.006 0.000 2.498 644 A HA 0.435 4.755 4.320 -0.000 0.000 0.239 644 A C 1.480 179.052 177.584 -0.019 0.000 1.068 644 A CA 0.482 52.520 52.037 0.003 0.000 0.766 644 A CB -1.108 17.898 19.000 0.010 0.000 1.003 644 A HN 0.838 nan 8.150 nan 0.000 0.497 645 G N 1.396 110.178 108.800 -0.029 0.000 2.321 645 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.287 645 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.287 645 G C 0.120 174.980 174.900 -0.066 0.000 1.018 645 G CA 0.909 45.984 45.100 -0.042 0.000 0.855 645 G HN 0.768 nan 8.290 nan 0.000 0.507 646 K N 0.184 120.519 120.400 -0.108 0.000 2.221 646 K HA 0.435 4.755 4.320 -0.000 0.000 0.258 646 K C -0.087 176.389 176.600 -0.206 0.000 0.944 646 K CA -0.555 55.662 56.287 -0.116 0.000 0.823 646 K CB 1.524 33.975 32.500 -0.081 0.000 1.113 646 K HN 0.081 nan 8.250 nan 0.000 0.431 647 T N 3.857 118.329 114.554 -0.136 0.000 2.727 647 T HA 0.307 4.657 4.350 -0.000 0.000 0.295 647 T C 0.324 174.969 174.700 -0.092 0.000 0.915 647 T CA -0.224 61.792 62.100 -0.139 0.000 1.066 647 T CB -0.191 68.650 68.868 -0.045 0.000 0.891 647 T HN 0.285 nan 8.240 nan 0.000 0.516 648 I N 2.636 123.120 120.570 -0.144 0.000 2.562 648 I HA 0.346 4.516 4.170 -0.000 0.000 0.301 648 I C 0.530 176.849 176.117 0.336 0.000 1.003 648 I CA -0.667 60.674 61.300 0.069 0.000 1.127 648 I CB 1.789 39.841 38.000 0.086 0.000 1.304 648 I HN 0.459 nan 8.210 nan 0.000 0.446 649 E N 5.117 125.504 120.200 0.311 0.000 2.166 649 E HA 0.592 4.942 4.350 -0.000 0.000 0.275 649 E C -1.470 175.361 176.600 0.386 0.000 0.941 649 E CA -0.503 56.125 56.400 0.380 0.000 0.784 649 E CB 1.924 31.875 29.700 0.419 0.000 1.115 649 E HN 0.410 nan 8.360 nan 0.000 0.399 650 F N 0.490 120.599 119.950 0.265 0.000 2.686 650 F HA 0.711 5.238 4.527 -0.000 0.000 0.311 650 F C -1.212 174.743 175.800 0.259 0.000 1.128 650 F CA -1.089 56.966 58.000 0.091 0.000 0.946 650 F CB 1.418 40.360 39.000 -0.097 0.000 1.336 650 F HN 0.168 nan 8.300 nan 0.000 0.457 651 K N 0.644 121.190 120.400 0.244 0.000 2.555 651 K HA 0.666 4.986 4.320 -0.000 0.000 0.279 651 K C -2.088 174.478 176.600 -0.056 0.000 0.986 651 K CA -0.644 55.763 56.287 0.199 0.000 0.880 651 K CB 2.379 35.123 32.500 0.406 0.000 1.474 651 K HN 0.594 nan 8.250 nan 0.000 0.433 652 F N 2.031 122.099 119.950 0.197 0.000 2.483 652 F HA 0.614 5.141 4.527 -0.000 0.000 0.329 652 F C -0.271 175.620 175.800 0.152 0.000 1.064 652 F CA -0.840 57.266 58.000 0.177 0.000 0.986 652 F CB 1.181 40.359 39.000 0.297 0.000 1.218 652 F HN 0.240 nan 8.300 nan 0.000 0.484 653 L N -0.594 120.845 121.223 0.360 0.000 2.434 653 L HA 0.683 5.023 4.340 -0.000 0.000 0.260 653 L C -1.473 175.497 176.870 0.168 0.000 0.983 653 L CA -1.183 53.767 54.840 0.183 0.000 0.820 653 L CB 2.063 43.889 42.059 -0.388 0.000 1.361 653 L HN 0.409 nan 8.230 nan 0.000 0.410 654 K N 1.960 122.421 120.400 0.102 0.000 2.211 654 K HA 0.585 4.905 4.320 -0.000 0.000 0.275 654 K C -1.034 175.537 176.600 -0.049 0.000 1.024 654 K CA -0.626 55.636 56.287 -0.042 0.000 0.887 654 K CB 1.748 34.163 32.500 -0.141 0.000 1.084 654 K HN 0.519 nan 8.250 nan 0.000 0.463 655 K N 2.249 122.646 120.400 -0.006 0.000 2.324 655 K HA 0.227 4.547 4.320 -0.000 0.000 0.253 655 K C -1.085 175.520 176.600 0.009 0.000 0.932 655 K CA -0.749 55.493 56.287 -0.076 0.000 0.799 655 K CB 2.104 34.395 32.500 -0.347 0.000 1.154 655 K HN 0.391 nan 8.250 nan 0.000 0.425 656 Q N 1.689 121.475 119.800 -0.022 0.000 2.414 656 Q HA 0.347 4.686 4.340 -0.000 0.000 0.256 656 Q C 0.041 176.034 176.000 -0.011 0.000 0.974 656 Q CA 0.125 55.932 55.803 0.006 0.000 0.723 656 Q CB 1.282 30.025 28.738 0.009 0.000 1.281 656 Q HN 0.858 nan 8.270 nan 0.000 0.470 657 G N 1.896 110.694 108.800 -0.003 0.000 2.561 657 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.289 657 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.289 657 G C 0.534 175.403 174.900 -0.053 0.000 1.169 657 G CA 0.405 45.497 45.100 -0.014 0.000 0.980 657 G HN 1.101 nan 8.290 nan 0.000 0.550 658 S N -0.765 114.907 115.700 -0.047 0.000 2.556 658 S HA 0.433 4.903 4.470 -0.000 0.000 0.216 658 S C 0.749 175.311 174.600 -0.064 0.000 0.970 658 S CA 1.162 59.322 58.200 -0.067 0.000 0.912 658 S CB 0.448 63.621 63.200 -0.044 0.000 0.790 658 S HN 0.889 nan 8.310 nan 0.000 0.504 659 T N 2.830 117.353 114.554 -0.050 0.000 2.761 659 T HA 0.493 4.843 4.350 -0.000 0.000 0.296 659 T C -0.434 174.228 174.700 -0.063 0.000 0.934 659 T CA -0.211 61.868 62.100 -0.035 0.000 1.091 659 T CB 1.306 70.168 68.868 -0.011 0.000 0.896 659 T HN 0.275 nan 8.240 nan 0.000 0.515 660 V N 3.984 123.861 119.914 -0.062 0.000 2.715 660 V HA 0.747 4.866 4.120 -0.000 0.000 0.310 660 V C -0.538 175.531 176.094 -0.042 0.000 1.054 660 V CA -0.360 61.868 62.300 -0.119 0.000 0.928 660 V CB 2.397 34.067 31.823 -0.254 0.000 1.007 660 V HN 0.869 nan 8.190 nan 0.000 0.437 661 T N 6.510 121.041 114.554 -0.038 0.000 2.833 661 T HA 0.425 4.774 4.350 -0.000 0.000 0.297 661 T C -0.876 173.929 174.700 0.175 0.000 1.015 661 T CA -0.008 62.157 62.100 0.109 0.000 0.963 661 T CB 0.485 69.431 68.868 0.129 0.000 0.955 661 T HN 0.721 nan 8.240 nan 0.000 0.449 662 W N 2.122 123.518 121.300 0.160 0.000 2.184 662 W HA 0.338 4.998 4.660 -0.000 0.000 0.338 662 W C 1.013 177.583 176.519 0.085 0.000 1.257 662 W CA -0.611 56.807 57.345 0.121 0.000 1.243 662 W CB 0.430 29.902 29.460 0.020 0.000 1.122 662 W HN 0.591 nan 8.180 nan 0.000 0.585 663 E N 1.257 121.516 120.200 0.099 0.000 2.366 663 E HA 0.356 4.706 4.350 -0.000 0.000 0.266 663 E C 0.735 177.214 176.600 -0.202 0.000 1.051 663 E CA -0.169 55.906 56.400 -0.540 0.000 0.884 663 E CB 0.621 29.790 29.700 -0.885 0.000 1.006 663 E HN 0.554 nan 8.360 nan 0.000 0.417 664 G N 2.017 110.670 108.800 -0.244 0.000 2.489 664 G HA2 0.462 4.422 3.960 -0.000 0.000 0.271 664 G HA3 0.462 4.422 3.960 -0.000 0.000 0.271 664 G C 0.476 175.268 174.900 -0.180 0.000 1.427 664 G CA -0.117 44.906 45.100 -0.128 0.000 1.057 664 G HN 0.960 nan 8.290 nan 0.000 0.532 665 G N -0.988 107.728 108.800 -0.140 0.000 2.598 665 G HA2 0.081 4.041 3.960 -0.000 0.000 0.269 665 G HA3 0.081 4.041 3.960 -0.000 0.000 0.269 665 G C 0.475 175.258 174.900 -0.195 0.000 1.289 665 G CA 0.733 45.739 45.100 -0.156 0.000 0.926 665 G HN 1.958 nan 8.290 nan 0.000 0.567 666 S N 0.195 115.766 115.700 -0.214 0.000 2.687 666 S HA 0.620 5.090 4.470 -0.000 0.000 0.283 666 S C 0.300 174.715 174.600 -0.309 0.000 1.170 666 S CA -0.552 57.514 58.200 -0.223 0.000 1.008 666 S CB 1.381 64.481 63.200 -0.166 0.000 1.026 666 S HN 0.873 nan 8.310 nan 0.000 0.541 667 N N 1.744 120.299 118.700 -0.242 0.000 2.374 667 N HA 0.090 4.830 4.740 -0.000 0.000 0.241 667 N C -0.111 175.198 175.510 -0.334 0.000 1.262 667 N CA 0.349 53.270 53.050 -0.216 0.000 0.880 667 N CB -0.130 38.359 38.487 0.003 0.000 1.105 667 N HN 0.616 nan 8.380 nan 0.000 0.438 668 H N 0.029 118.882 119.070 -0.361 0.000 2.505 668 H HA 0.406 4.962 4.556 -0.000 0.000 0.355 668 H C 0.059 175.168 175.328 -0.366 0.000 1.179 668 H CA 0.222 55.940 56.048 -0.549 0.000 1.343 668 H CB 1.000 29.996 29.762 -1.277 0.000 1.501 668 H HN 0.390 nan 8.280 nan 0.000 0.569 669 T N 1.827 116.456 114.554 0.125 0.000 2.901 669 T HA 0.538 4.888 4.350 -0.000 0.000 0.293 669 T C -0.925 174.167 174.700 0.653 0.000 1.084 669 T CA -0.789 61.529 62.100 0.365 0.000 1.008 669 T CB 1.780 70.773 68.868 0.207 0.000 1.170 669 T HN 0.566 nan 8.240 nan 0.000 0.509 670 F N -1.481 118.662 119.950 0.322 0.000 2.804 670 F HA 0.530 5.057 4.527 -0.000 0.000 0.320 670 F C -1.934 173.966 175.800 0.167 0.000 1.135 670 F CA -0.846 57.301 58.000 0.245 0.000 0.947 670 F CB 0.428 39.594 39.000 0.277 0.000 1.260 670 F HN 0.481 nan 8.300 nan 0.000 0.447 671 T N 3.362 117.775 114.554 -0.235 0.000 2.772 671 T HA 0.758 5.108 4.350 -0.000 0.000 0.288 671 T C 0.093 174.574 174.700 -0.365 0.000 0.994 671 T CA 0.032 61.915 62.100 -0.361 0.000 0.951 671 T CB 1.018 69.822 68.868 -0.107 0.000 0.933 671 T HN 0.976 nan 8.240 nan 0.000 0.447 672 A N 6.282 128.773 122.820 -0.547 0.000 2.511 672 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 672 A C -2.029 175.540 177.584 -0.025 0.000 1.069 672 A CA -1.020 50.911 52.037 -0.177 0.000 0.763 672 A CB -0.339 18.581 19.000 -0.133 0.000 1.001 672 A HN 0.465 nan 8.150 nan 0.000 0.498 673 P HA 0.090 nan 4.420 nan 0.000 0.270 673 P C 0.571 177.891 177.300 0.033 0.000 1.227 673 P CA 0.001 63.133 63.100 0.052 0.000 0.788 673 P CB 0.504 32.249 31.700 0.075 0.000 0.926 674 S N -1.244 114.473 115.700 0.028 0.000 2.478 674 S HA 0.081 4.551 4.470 -0.000 0.000 0.222 674 S C 0.836 175.452 174.600 0.027 0.000 1.008 674 S CA 0.483 58.695 58.200 0.020 0.000 0.928 674 S CB -0.251 62.958 63.200 0.015 0.000 0.781 674 S HN 0.765 nan 8.310 nan 0.000 0.518 675 S N -0.677 115.047 115.700 0.039 0.000 2.567 675 S HA 0.666 5.136 4.470 -0.000 0.000 0.270 675 S C -0.095 174.544 174.600 0.066 0.000 1.152 675 S CA -0.162 58.067 58.200 0.047 0.000 0.835 675 S CB 1.078 64.300 63.200 0.037 0.000 1.115 675 S HN 1.056 nan 8.310 nan 0.000 0.459 676 G N 1.308 110.160 108.800 0.086 0.000 2.584 676 G HA2 0.202 4.162 3.960 -0.000 0.000 0.229 676 G HA3 0.202 4.162 3.960 -0.000 0.000 0.229 676 G C 0.007 174.981 174.900 0.122 0.000 1.320 676 G CA 0.491 45.655 45.100 0.107 0.000 0.891 676 G HN 2.365 nan 8.290 nan 0.000 0.573 677 T N -2.484 112.139 114.554 0.115 0.000 2.883 677 T HA 1.043 5.393 4.350 -0.000 0.000 0.284 677 T C 0.062 174.810 174.700 0.080 0.000 1.041 677 T CA 0.483 62.653 62.100 0.117 0.000 1.007 677 T CB 1.806 70.755 68.868 0.136 0.000 1.220 677 T HN 2.654 nan 8.240 nan 0.000 0.552 678 A N 0.008 122.862 122.820 0.057 0.000 2.610 678 A HA 0.734 5.054 4.320 -0.000 0.000 0.291 678 A C -0.768 176.782 177.584 -0.058 0.000 1.086 678 A CA -0.913 51.133 52.037 0.014 0.000 0.677 678 A CB 1.379 20.401 19.000 0.038 0.000 1.278 678 A HN 0.899 nan 8.150 nan 0.000 0.414 679 T N 1.470 115.977 114.554 -0.079 0.000 2.840 679 T HA 0.561 4.911 4.350 -0.000 0.000 0.287 679 T C -0.735 173.851 174.700 -0.191 0.000 0.991 679 T CA 0.022 62.048 62.100 -0.124 0.000 0.964 679 T CB 0.438 69.292 68.868 -0.024 0.000 0.954 679 T HN 0.445 nan 8.240 nan 0.000 0.438 680 I N 3.847 124.203 120.570 -0.357 0.000 2.328 680 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 680 I C 0.061 176.091 176.117 -0.145 0.000 1.012 680 I CA -0.737 60.359 61.300 -0.339 0.000 1.195 680 I CB 0.862 38.407 38.000 -0.759 0.000 1.350 680 I HN 0.369 nan 8.210 nan 0.000 0.464 681 N N 6.570 125.239 118.700 -0.052 0.000 2.446 681 N HA 0.561 5.301 4.740 -0.000 0.000 0.265 681 N C -0.916 174.610 175.510 0.026 0.000 0.975 681 N CA -0.165 52.873 53.050 -0.020 0.000 0.928 681 N CB 2.168 40.647 38.487 -0.013 0.000 1.160 681 N HN 0.464 nan 8.380 nan 0.000 0.495 682 V N 0.912 120.837 119.914 0.019 0.000 3.160 682 V HA 0.679 4.799 4.120 -0.000 0.000 0.310 682 V C -0.622 175.476 176.094 0.007 0.000 1.181 682 V CA -1.032 61.275 62.300 0.012 0.000 1.047 682 V CB 2.304 34.059 31.823 -0.114 0.000 1.068 682 V HN 0.431 nan 8.190 nan 0.000 0.441 683 N N 1.710 120.454 118.700 0.073 0.000 2.399 683 N HA 0.254 4.994 4.740 -0.000 0.000 0.295 683 N C -0.929 174.689 175.510 0.180 0.000 1.048 683 N CA -0.287 52.829 53.050 0.109 0.000 0.886 683 N CB 2.070 40.626 38.487 0.115 0.000 1.185 683 N HN 1.011 nan 8.380 nan 0.000 0.487 684 W N 3.025 124.331 121.300 0.009 0.000 2.322 684 W HA 0.031 4.691 4.660 -0.000 0.000 0.328 684 W C -0.686 175.894 176.519 0.101 0.000 1.395 684 W CA 0.158 57.535 57.345 0.053 0.000 1.267 684 W CB 0.292 29.738 29.460 -0.024 0.000 1.259 684 W HN 0.439 nan 8.180 nan 0.000 0.560 685 Q N 7.871 127.431 119.800 -0.400 0.000 2.257 685 Q HA 0.306 4.646 4.340 -0.000 0.000 0.255 685 Q C -1.946 173.886 176.000 -0.279 0.000 0.920 685 Q CA -1.788 53.877 55.803 -0.232 0.000 0.927 685 Q CB 1.448 30.067 28.738 -0.198 0.000 1.229 685 Q HN 0.215 nan 8.270 nan 0.000 0.433 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.221 63.100 0.201 0.000 0.800 686 P CB 0.000 31.822 31.700 0.204 0.000 0.726