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 1cgv_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 0.000 177.563 177.584 -0.035 0.000 1.274 1 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 1 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 2 P HA 0.254 nan 4.420 nan 0.000 0.276 2 P C -0.009 177.255 177.300 -0.060 0.000 1.252 2 P CA 0.140 63.214 63.100 -0.045 0.000 0.802 2 P CB 0.513 32.183 31.700 -0.050 0.000 1.035 3 D N -0.028 120.342 120.400 -0.050 0.000 2.190 3 D HA -0.182 4.458 4.640 -0.000 0.000 0.200 3 D C 1.149 177.388 176.300 -0.102 0.000 0.992 3 D CA 2.183 56.152 54.000 -0.052 0.000 0.854 3 D CB -1.528 39.276 40.800 0.006 0.000 0.936 3 D HN 0.459 nan 8.370 nan 0.000 0.462 4 T N -2.446 112.042 114.554 -0.111 0.000 3.055 4 T HA -0.023 4.327 4.350 -0.000 0.000 0.265 4 T C 1.203 175.804 174.700 -0.164 0.000 1.111 4 T CA 0.328 62.337 62.100 -0.152 0.000 1.118 4 T CB -0.378 68.408 68.868 -0.138 0.000 0.909 4 T HN 0.212 nan 8.240 nan 0.000 0.501 5 S N 0.478 116.093 115.700 -0.142 0.000 2.563 5 S HA 0.104 4.574 4.470 -0.000 0.000 0.284 5 S C 1.487 175.973 174.600 -0.190 0.000 1.331 5 S CA -0.231 57.883 58.200 -0.143 0.000 1.047 5 S CB 1.056 64.187 63.200 -0.115 0.000 0.859 5 S HN 0.221 nan 8.310 nan 0.000 0.514 6 V N 4.268 124.071 119.914 -0.185 0.000 2.688 6 V HA -0.111 4.009 4.120 -0.000 0.000 0.256 6 V C 2.308 178.240 176.094 -0.271 0.000 1.084 6 V CA 2.608 64.774 62.300 -0.224 0.000 1.103 6 V CB -0.937 30.776 31.823 -0.184 0.000 0.688 6 V HN 1.055 nan 8.190 nan 0.000 0.480 7 S N -0.266 115.299 115.700 -0.225 0.000 2.562 7 S HA 0.013 4.483 4.470 -0.000 0.000 0.221 7 S C 1.080 175.581 174.600 -0.164 0.000 0.975 7 S CA 0.334 58.408 58.200 -0.210 0.000 0.918 7 S CB -0.622 62.483 63.200 -0.159 0.000 0.772 7 S HN 0.612 nan 8.310 nan 0.000 0.531 8 N N 2.572 121.162 118.700 -0.182 0.000 2.549 8 N HA 0.171 4.911 4.740 -0.000 0.000 0.267 8 N C 0.276 175.692 175.510 -0.156 0.000 1.182 8 N CA 0.008 52.966 53.050 -0.153 0.000 1.019 8 N CB 0.288 38.672 38.487 -0.172 0.000 1.380 8 N HN 0.425 nan 8.380 nan 0.000 0.505 9 K N 1.662 122.044 120.400 -0.030 0.000 2.525 9 K HA -0.011 4.309 4.320 -0.000 0.000 0.192 9 K C 0.483 177.247 176.600 0.273 0.000 1.029 9 K CA 0.535 56.901 56.287 0.130 0.000 1.029 9 K CB 0.466 33.058 32.500 0.154 0.000 0.814 9 K HN 0.422 nan 8.250 nan 0.000 0.503 10 Q N 0.030 119.931 119.800 0.168 0.000 2.319 10 Q HA 0.103 4.443 4.340 -0.000 0.000 0.209 10 Q C -0.448 175.713 176.000 0.268 0.000 0.884 10 Q CA 0.103 56.068 55.803 0.269 0.000 0.938 10 Q CB 0.633 29.492 28.738 0.201 0.000 1.098 10 Q HN 0.056 nan 8.270 nan 0.000 0.517 11 N N -0.730 117.978 118.700 0.012 0.000 2.454 11 N HA 0.189 4.929 4.740 -0.000 0.000 0.291 11 N C -1.338 173.920 175.510 -0.420 0.000 1.079 11 N CA -0.303 52.557 53.050 -0.316 0.000 0.893 11 N CB 0.604 38.855 38.487 -0.393 0.000 1.512 11 N HN -0.127 nan 8.380 nan 0.000 0.497 12 F N 1.048 120.508 119.950 -0.817 0.000 2.682 12 F HA 0.280 4.807 4.527 -0.000 0.000 0.308 12 F C 1.933 177.415 175.800 -0.529 0.000 1.093 12 F CA -0.076 57.509 58.000 -0.691 0.000 1.244 12 F CB 0.382 38.812 39.000 -0.949 0.000 1.052 12 F HN 0.432 nan 8.300 nan 0.000 0.573 13 S N -0.504 114.972 115.700 -0.375 0.000 2.419 13 S HA -0.203 4.267 4.470 -0.000 0.000 0.235 13 S C 2.134 176.505 174.600 -0.381 0.000 1.019 13 S CA 1.946 59.949 58.200 -0.328 0.000 0.982 13 S CB -0.655 62.391 63.200 -0.256 0.000 0.789 13 S HN 0.546 nan 8.310 nan 0.000 0.490 14 T N -0.805 113.511 114.554 -0.397 0.000 3.107 14 T HA 0.149 4.499 4.350 -0.000 0.000 0.249 14 T C 0.094 174.626 174.700 -0.280 0.000 1.096 14 T CA -0.279 61.598 62.100 -0.373 0.000 1.012 14 T CB 0.010 68.662 68.868 -0.361 0.000 0.977 14 T HN 0.076 nan 8.240 nan 0.000 0.527 15 D N 0.852 121.099 120.400 -0.255 0.000 2.385 15 D HA 0.528 5.168 4.640 -0.000 0.000 0.254 15 D C -0.792 175.444 176.300 -0.106 0.000 1.053 15 D CA -0.471 53.421 54.000 -0.181 0.000 0.992 15 D CB 2.396 43.085 40.800 -0.185 0.000 1.145 15 D HN 0.028 nan 8.370 nan 0.000 0.523 16 V N 1.724 121.607 119.914 -0.053 0.000 2.443 16 V HA 0.337 4.457 4.120 -0.000 0.000 0.293 16 V C 0.147 176.289 176.094 0.080 0.000 1.021 16 V CA -0.665 61.630 62.300 -0.009 0.000 0.848 16 V CB 1.466 33.267 31.823 -0.036 0.000 0.998 16 V HN 0.342 nan 8.190 nan 0.000 0.424 17 I N 4.482 125.134 120.570 0.136 0.000 2.440 17 I HA 0.368 4.538 4.170 -0.000 0.000 0.294 17 I C -0.885 175.407 176.117 0.292 0.000 0.995 17 I CA -0.608 60.839 61.300 0.246 0.000 1.306 17 I CB 1.150 39.327 38.000 0.295 0.000 1.407 17 I HN 0.600 nan 8.210 nan 0.000 0.501 18 Y N 5.874 126.270 120.300 0.160 0.000 2.356 18 Y HA 0.243 4.793 4.550 -0.000 0.000 0.334 18 Y C -0.010 175.964 175.900 0.124 0.000 0.958 18 Y CA -0.502 57.668 58.100 0.116 0.000 1.196 18 Y CB 0.972 39.465 38.460 0.053 0.000 1.137 18 Y HN 0.498 nan 8.280 nan 0.000 0.485 19 Q N 6.882 126.596 119.800 -0.143 0.000 2.295 19 Q HA 0.435 4.775 4.340 -0.000 0.000 0.259 19 Q C -1.369 174.473 176.000 -0.264 0.000 0.976 19 Q CA -0.175 55.461 55.803 -0.278 0.000 0.923 19 Q CB 0.555 28.990 28.738 -0.506 0.000 1.185 19 Q HN 0.795 nan 8.270 nan 0.000 0.410 20 I N 3.634 124.050 120.570 -0.256 0.000 2.474 20 I HA 0.273 4.443 4.170 -0.000 0.000 0.294 20 I C -0.861 175.110 176.117 -0.242 0.000 1.005 20 I CA -0.832 60.297 61.300 -0.285 0.000 1.113 20 I CB 1.359 39.147 38.000 -0.352 0.000 1.289 20 I HN 0.564 nan 8.210 nan 0.000 0.436 21 F N 4.585 124.240 119.950 -0.491 0.000 2.368 21 F HA 0.195 4.722 4.527 -0.000 0.000 0.362 21 F C 1.646 177.271 175.800 -0.291 0.000 1.137 21 F CA -0.120 57.707 58.000 -0.289 0.000 1.161 21 F CB 1.005 39.925 39.000 -0.133 0.000 1.265 21 F HN 0.533 nan 8.300 nan 0.000 0.530 22 T N 1.316 115.711 114.554 -0.264 0.000 2.653 22 T HA -0.314 4.036 4.350 -0.000 0.000 0.268 22 T C 1.696 176.368 174.700 -0.047 0.000 1.035 22 T CA 2.101 64.060 62.100 -0.235 0.000 1.154 22 T CB -0.217 68.272 68.868 -0.632 0.000 0.862 22 T HN 0.570 nan 8.240 nan 0.000 0.441 23 D N 0.536 120.962 120.400 0.044 0.000 2.182 23 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 23 D C 1.885 178.288 176.300 0.172 0.000 0.986 23 D CA 0.776 54.906 54.000 0.216 0.000 0.847 23 D CB 0.100 41.111 40.800 0.352 0.000 0.942 23 D HN 0.120 nan 8.370 nan 0.000 0.467 24 R N -0.670 119.908 120.500 0.130 0.000 2.427 24 R HA 0.116 4.455 4.340 -0.000 0.000 0.262 24 R C 0.862 177.196 176.300 0.057 0.000 0.943 24 R CA -0.154 55.988 56.100 0.069 0.000 1.081 24 R CB -0.426 29.915 30.300 0.068 0.000 1.166 24 R HN 0.292 nan 8.270 nan 0.000 0.534 25 F N 0.165 120.068 119.950 -0.078 0.000 2.389 25 F HA 0.285 4.812 4.527 -0.000 0.000 0.275 25 F C 0.268 176.166 175.800 0.165 0.000 1.009 25 F CA 0.280 58.288 58.000 0.014 0.000 1.187 25 F CB 0.445 39.444 39.000 -0.001 0.000 1.139 25 F HN -0.181 nan 8.300 nan 0.000 0.613 26 S N 0.101 115.883 115.700 0.136 0.000 2.626 26 S HA 0.192 4.662 4.470 -0.000 0.000 0.275 26 S C -1.859 172.804 174.600 0.106 0.000 1.175 26 S CA -0.809 57.422 58.200 0.052 0.000 0.982 26 S CB 0.653 63.807 63.200 -0.076 0.000 1.093 26 S HN 0.241 nan 8.310 nan 0.000 0.472 27 D N 3.667 124.122 120.400 0.092 0.000 2.435 27 D HA 0.362 5.002 4.640 -0.000 0.000 0.230 27 D C 1.181 177.522 176.300 0.068 0.000 1.215 27 D CA 0.075 54.132 54.000 0.095 0.000 0.947 27 D CB 0.423 41.291 40.800 0.113 0.000 1.048 27 D HN 0.700 nan 8.370 nan 0.000 0.512 28 G N 3.041 111.881 108.800 0.068 0.000 3.042 28 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.212 28 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.212 28 G C 0.580 175.506 174.900 0.044 0.000 1.166 28 G CA -0.336 44.795 45.100 0.052 0.000 0.767 28 G HN 0.478 nan 8.290 nan 0.000 0.546 29 N N -0.383 118.340 118.700 0.039 0.000 2.701 29 N HA 0.292 5.032 4.740 -0.000 0.000 0.258 29 N C -2.179 173.327 175.510 -0.007 0.000 1.262 29 N CA -1.640 51.421 53.050 0.019 0.000 0.780 29 N CB 2.123 40.625 38.487 0.024 0.000 1.380 29 N HN -0.215 nan 8.380 nan 0.000 0.548 30 P HA -0.003 nan 4.420 nan 0.000 0.223 30 P C 0.954 178.198 177.300 -0.093 0.000 1.151 30 P CA 0.680 63.753 63.100 -0.045 0.000 0.787 30 P CB 0.237 31.927 31.700 -0.017 0.000 0.788 31 A N 1.107 123.887 122.820 -0.067 0.000 2.015 31 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 31 A C 1.747 179.264 177.584 -0.112 0.000 1.163 31 A CA 1.717 53.705 52.037 -0.081 0.000 0.646 31 A CB -1.419 17.551 19.000 -0.049 0.000 0.806 31 A HN 0.349 nan 8.150 nan 0.000 0.448 32 N N -0.223 118.408 118.700 -0.114 0.000 2.336 32 N HA 0.013 4.753 4.740 -0.000 0.000 0.189 32 N C -0.531 174.849 175.510 -0.217 0.000 1.113 32 N CA -0.222 52.743 53.050 -0.141 0.000 0.858 32 N CB -0.578 37.843 38.487 -0.111 0.000 0.970 32 N HN 0.207 nan 8.380 nan 0.000 0.471 33 N N 2.355 120.889 118.700 -0.277 0.000 2.458 33 N HA 0.156 4.896 4.740 -0.000 0.000 0.258 33 N C -2.207 172.987 175.510 -0.527 0.000 1.219 33 N CA -0.869 51.903 53.050 -0.464 0.000 0.902 33 N CB 0.094 38.113 38.487 -0.780 0.000 1.076 33 N HN 0.216 nan 8.380 nan 0.000 0.455 34 P HA 0.107 nan 4.420 nan 0.000 0.272 34 P C 0.054 177.152 177.300 -0.337 0.000 1.254 34 P CA -0.169 62.711 63.100 -0.367 0.000 0.795 34 P CB 0.402 31.895 31.700 -0.345 0.000 1.022 35 T N -4.245 110.229 114.554 -0.133 0.000 2.858 35 T HA 0.669 5.019 4.350 -0.000 0.000 0.285 35 T C 0.540 175.282 174.700 0.070 0.000 1.052 35 T CA -0.027 62.039 62.100 -0.056 0.000 1.009 35 T CB 1.179 69.998 68.868 -0.082 0.000 1.241 35 T HN 0.732 nan 8.240 nan 0.000 0.542 36 G N 0.895 109.749 108.800 0.090 0.000 2.574 36 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.286 36 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.286 36 G C 1.127 176.108 174.900 0.134 0.000 1.212 36 G CA 0.710 45.866 45.100 0.093 0.000 0.979 36 G HN 1.882 nan 8.290 nan 0.000 0.557 37 A N -0.222 122.660 122.820 0.103 0.000 2.209 37 A HA 0.511 4.831 4.320 -0.000 0.000 0.212 37 A C 2.514 180.181 177.584 0.139 0.000 1.158 37 A CA 2.223 54.322 52.037 0.102 0.000 0.742 37 A CB -0.552 18.492 19.000 0.074 0.000 0.790 37 A HN 2.188 nan 8.150 nan 0.000 0.472 38 A N -1.861 121.072 122.820 0.187 0.000 2.267 38 A HA 0.512 4.832 4.320 -0.000 0.000 0.213 38 A C 0.218 178.028 177.584 0.376 0.000 1.192 38 A CA 0.014 52.210 52.037 0.265 0.000 0.851 38 A CB -0.104 19.046 19.000 0.250 0.000 0.881 38 A HN 0.453 nan 8.150 nan 0.000 0.494 39 F N -0.165 119.851 119.950 0.110 0.000 2.551 39 F HA 0.602 5.128 4.527 -0.000 0.000 0.316 39 F C -1.535 174.304 175.800 0.066 0.000 1.089 39 F CA -1.624 56.438 58.000 0.103 0.000 0.915 39 F CB 1.935 40.967 39.000 0.054 0.000 1.186 39 F HN -0.018 nan 8.300 nan 0.000 0.456 40 D N 3.179 123.036 120.400 -0.906 0.000 2.330 40 D HA 0.265 4.905 4.640 -0.000 0.000 0.249 40 D C 0.842 176.551 176.300 -0.984 0.000 1.306 40 D CA -0.102 53.470 54.000 -0.713 0.000 0.956 40 D CB 1.125 41.740 40.800 -0.309 0.000 1.261 40 D HN 0.712 nan 8.370 nan 0.000 0.544 41 G N 1.709 109.864 108.800 -1.075 0.000 2.498 41 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 41 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 41 G C 1.330 176.102 174.900 -0.213 0.000 1.119 41 G CA 1.438 46.235 45.100 -0.504 0.000 0.766 41 G HN 0.541 nan 8.290 nan 0.000 0.552 42 T N -3.835 110.596 114.554 -0.204 0.000 3.067 42 T HA 0.005 4.355 4.350 -0.000 0.000 0.261 42 T C 1.313 175.940 174.700 -0.122 0.000 1.110 42 T CA 0.639 62.669 62.100 -0.118 0.000 1.113 42 T CB -0.506 68.308 68.868 -0.090 0.000 0.917 42 T HN 0.591 nan 8.240 nan 0.000 0.499 43 c N 1.793 120.287 118.600 -0.178 0.000 4.300 43 c HA -0.181 4.389 4.570 -0.000 0.000 0.304 43 c C 1.464 175.486 174.090 -0.114 0.000 1.367 43 c CA 0.915 57.153 56.329 -0.152 0.000 2.032 43 c CB -2.650 39.795 42.510 -0.108 0.000 1.285 43 c HN 0.794 nan 8.230 nan 0.000 0.737 44 T N -0.399 114.088 114.554 -0.112 0.000 3.039 44 T HA 0.030 4.380 4.350 -0.000 0.000 0.250 44 T C 0.721 175.374 174.700 -0.078 0.000 1.052 44 T CA 0.937 62.989 62.100 -0.080 0.000 1.125 44 T CB -0.135 68.694 68.868 -0.065 0.000 0.908 44 T HN 0.681 nan 8.240 nan 0.000 0.473 45 N N 2.129 120.771 118.700 -0.096 0.000 2.500 45 N HA 0.200 4.940 4.740 -0.000 0.000 0.236 45 N C 0.635 176.066 175.510 -0.132 0.000 1.022 45 N CA -0.214 52.784 53.050 -0.086 0.000 0.935 45 N CB 0.409 38.857 38.487 -0.066 0.000 1.147 45 N HN 0.231 nan 8.380 nan 0.000 0.512 46 L N 2.678 123.823 121.223 -0.129 0.000 2.549 46 L HA 0.019 4.359 4.340 -0.000 0.000 0.229 46 L C 1.571 178.247 176.870 -0.324 0.000 1.158 46 L CA 0.621 55.338 54.840 -0.205 0.000 0.842 46 L CB -0.021 41.962 42.059 -0.127 0.000 0.952 46 L HN 0.387 nan 8.230 nan 0.000 0.452 47 R N -1.101 119.291 120.500 -0.181 0.000 2.334 47 R HA 0.188 4.528 4.340 -0.000 0.000 0.216 47 R C -0.224 176.041 176.300 -0.059 0.000 0.905 47 R CA -0.180 55.882 56.100 -0.064 0.000 1.064 47 R CB 0.471 30.827 30.300 0.094 0.000 1.046 47 R HN 0.078 nan 8.270 nan 0.000 0.508 48 L N -0.893 120.232 121.223 -0.164 0.000 2.299 48 L HA 0.343 4.683 4.340 -0.000 0.000 0.268 48 L C -0.164 176.640 176.870 -0.109 0.000 1.012 48 L CA -1.374 53.438 54.840 -0.047 0.000 0.816 48 L CB 0.114 42.170 42.059 -0.005 0.000 1.355 48 L HN -0.115 nan 8.230 nan 0.000 0.457 49 Y N -0.933 119.413 120.300 0.077 0.000 2.309 49 Y HA 0.137 4.687 4.550 -0.000 0.000 0.327 49 Y C 1.059 176.992 175.900 0.056 0.000 1.172 49 Y CA 0.062 58.261 58.100 0.165 0.000 1.280 49 Y CB 0.935 39.591 38.460 0.328 0.000 1.234 49 Y HN 0.476 nan 8.280 nan 0.000 0.512 50 c N 0.607 119.341 118.600 0.224 0.000 2.912 50 c HA 0.322 4.891 4.570 -0.000 0.000 0.274 50 c C 1.646 175.961 174.090 0.376 0.000 1.248 50 c CA 0.347 56.717 56.329 0.068 0.000 1.694 50 c CB -0.479 42.023 42.510 -0.012 0.000 2.024 50 c HN 1.226 nan 8.230 nan 0.000 0.605 51 G N 0.560 109.685 108.800 0.542 0.000 2.159 51 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.227 51 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.227 51 G C 0.319 175.368 174.900 0.248 0.000 0.986 51 G CA -0.066 45.294 45.100 0.433 0.000 0.651 51 G HN 0.801 nan 8.290 nan 0.000 0.523 52 G N 0.331 109.270 108.800 0.231 0.000 2.441 52 G HA2 0.570 4.530 3.960 -0.000 0.000 0.243 52 G HA3 0.570 4.530 3.960 -0.000 0.000 0.243 52 G C 0.038 175.013 174.900 0.125 0.000 1.281 52 G CA 0.916 46.116 45.100 0.167 0.000 0.854 52 G HN 0.928 nan 8.290 nan 0.000 0.560 53 D N -0.614 119.838 120.400 0.087 0.000 2.812 53 D HA 0.253 4.893 4.640 -0.000 0.000 0.318 53 D C 0.590 176.936 176.300 0.077 0.000 1.234 53 D CA -0.858 53.130 54.000 -0.021 0.000 0.989 53 D CB 0.254 41.044 40.800 -0.016 0.000 1.442 53 D HN 0.315 nan 8.370 nan 0.000 0.537 54 W N -0.436 120.940 121.300 0.127 0.000 2.358 54 W HA -0.047 4.613 4.660 -0.000 0.000 0.303 54 W C 2.112 178.680 176.519 0.081 0.000 1.208 54 W CA 0.919 58.323 57.345 0.099 0.000 1.274 54 W CB -1.078 28.462 29.460 0.134 0.000 1.138 54 W HN 0.491 nan 8.180 nan 0.000 0.515 55 Q N 0.423 120.384 119.800 0.267 0.000 2.077 55 Q HA -0.114 4.226 4.340 -0.000 0.000 0.206 55 Q C 2.435 178.518 176.000 0.138 0.000 0.989 55 Q CA 2.645 58.550 55.803 0.170 0.000 0.853 55 Q CB -1.207 27.601 28.738 0.116 0.000 0.907 55 Q HN 0.192 nan 8.270 nan 0.000 0.418 56 G N 0.419 109.305 108.800 0.143 0.000 2.446 56 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 56 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 56 G C 1.492 176.503 174.900 0.184 0.000 1.168 56 G CA 1.108 46.284 45.100 0.127 0.000 0.771 56 G HN 0.438 nan 8.290 nan 0.000 0.551 57 I N 0.369 121.105 120.570 0.277 0.000 2.127 57 I HA -0.168 4.002 4.170 -0.000 0.000 0.241 57 I C 2.693 178.913 176.117 0.171 0.000 1.075 57 I CA 0.901 62.376 61.300 0.292 0.000 1.334 57 I CB -0.287 37.850 38.000 0.229 0.000 1.040 57 I HN 0.130 nan 8.210 nan 0.000 0.405 58 I N 1.001 121.648 120.570 0.128 0.000 2.194 58 I HA -0.340 3.830 4.170 -0.000 0.000 0.246 58 I C 2.274 178.420 176.117 0.049 0.000 1.093 58 I CA 1.435 62.777 61.300 0.070 0.000 1.355 58 I CB -0.510 37.529 38.000 0.066 0.000 1.046 58 I HN 0.312 nan 8.210 nan 0.000 0.413 59 N N 0.775 119.503 118.700 0.046 0.000 2.069 59 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 59 N C 1.733 177.220 175.510 -0.037 0.000 1.031 59 N CA 1.194 54.243 53.050 -0.003 0.000 0.852 59 N CB -0.280 38.191 38.487 -0.026 0.000 1.018 59 N HN 0.214 nan 8.380 nan 0.000 0.423 60 K N 0.840 121.221 120.400 -0.032 0.000 2.283 60 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 60 K C 2.064 178.690 176.600 0.043 0.000 1.048 60 K CA 0.231 56.479 56.287 -0.065 0.000 0.948 60 K CB -0.281 32.191 32.500 -0.046 0.000 0.742 60 K HN 0.323 nan 8.250 nan 0.000 0.458 61 I N 0.917 121.519 120.570 0.053 0.000 2.233 61 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 61 I C 1.479 177.605 176.117 0.016 0.000 1.093 61 I CA 1.196 62.516 61.300 0.035 0.000 1.380 61 I CB -0.215 37.799 38.000 0.022 0.000 1.067 61 I HN 0.247 nan 8.210 nan 0.000 0.413 62 N N 0.643 119.348 118.700 0.008 0.000 2.331 62 N HA -0.177 4.563 4.740 -0.000 0.000 0.180 62 N C 0.876 176.386 175.510 -0.001 0.000 1.019 62 N CA 1.087 54.138 53.050 0.002 0.000 0.881 62 N CB -0.044 38.443 38.487 0.000 0.000 0.972 62 N HN 0.428 nan 8.380 nan 0.000 0.435 63 D N -0.358 120.037 120.400 -0.009 0.000 2.319 63 D HA 0.090 4.730 4.640 -0.000 0.000 0.230 63 D C 1.153 177.466 176.300 0.021 0.000 1.094 63 D CA 0.166 54.160 54.000 -0.009 0.000 0.856 63 D CB -0.270 40.505 40.800 -0.041 0.000 0.915 63 D HN 0.216 nan 8.370 nan 0.000 0.517 64 G N -0.193 108.626 108.800 0.033 0.000 2.179 64 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.260 64 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.260 64 G C 0.635 175.592 174.900 0.095 0.000 0.977 64 G CA 0.441 45.570 45.100 0.048 0.000 0.641 64 G HN 0.399 nan 8.290 nan 0.000 0.533 65 Y N 0.776 121.073 120.300 -0.006 0.000 2.097 65 Y HA 0.032 4.582 4.550 -0.000 0.000 0.282 65 Y C 2.688 178.652 175.900 0.107 0.000 1.152 65 Y CA 2.517 60.655 58.100 0.064 0.000 1.136 65 Y CB -0.334 38.104 38.460 -0.036 0.000 0.975 65 Y HN 0.299 nan 8.280 nan 0.000 0.498 66 L N -0.932 120.257 121.223 -0.057 0.000 2.095 66 L HA -0.140 4.200 4.340 -0.000 0.000 0.204 66 L C 2.603 179.364 176.870 -0.182 0.000 1.080 66 L CA 1.630 56.340 54.840 -0.216 0.000 0.759 66 L CB -1.169 40.800 42.059 -0.150 0.000 0.914 66 L HN 0.329 nan 8.230 nan 0.000 0.439 67 T N -2.703 111.799 114.554 -0.087 0.000 2.821 67 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 67 T C 1.956 176.610 174.700 -0.076 0.000 1.046 67 T CA 1.064 63.120 62.100 -0.074 0.000 1.139 67 T CB -0.916 67.929 68.868 -0.038 0.000 0.871 67 T HN 0.370 nan 8.240 nan 0.000 0.454 68 G N 0.645 109.426 108.800 -0.032 0.000 2.448 68 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.219 68 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.219 68 G C 1.530 176.388 174.900 -0.070 0.000 1.127 68 G CA 0.701 45.822 45.100 0.036 0.000 0.766 68 G HN 0.527 nan 8.290 nan 0.000 0.552 69 M N -0.081 119.333 119.600 -0.310 0.000 2.419 69 M HA 0.204 4.684 4.480 -0.000 0.000 0.264 69 M C 1.815 177.884 176.300 -0.386 0.000 1.082 69 M CA 1.338 56.216 55.300 -0.704 0.000 1.119 69 M CB 0.278 32.342 32.600 -0.894 0.000 1.398 69 M HN 0.372 nan 8.290 nan 0.000 0.453 70 G N 0.074 108.730 108.800 -0.241 0.000 2.179 70 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 70 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 70 G C 0.010 174.821 174.900 -0.147 0.000 0.990 70 G CA 0.044 45.041 45.100 -0.172 0.000 0.646 70 G HN 0.322 nan 8.290 nan 0.000 0.517 71 V N 1.650 121.467 119.914 -0.162 0.000 2.763 71 V HA 0.447 4.567 4.120 -0.000 0.000 0.306 71 V C 1.618 177.672 176.094 -0.067 0.000 1.059 71 V CA 1.709 63.950 62.300 -0.098 0.000 1.138 71 V CB 1.423 33.161 31.823 -0.143 0.000 0.940 71 V HN 0.936 nan 8.190 nan 0.000 0.489 72 T N 0.395 114.931 114.554 -0.030 0.000 3.209 72 T HA 0.684 5.034 4.350 -0.000 0.000 0.295 72 T C -0.174 174.527 174.700 0.002 0.000 0.977 72 T CA 0.366 62.441 62.100 -0.042 0.000 0.922 72 T CB 0.373 69.184 68.868 -0.095 0.000 1.152 72 T HN 1.170 nan 8.240 nan 0.000 0.527 73 A N 1.539 124.410 122.820 0.084 0.000 2.594 73 A HA 0.756 5.076 4.320 -0.000 0.000 0.296 73 A C -1.358 176.368 177.584 0.236 0.000 1.061 73 A CA -1.176 50.974 52.037 0.188 0.000 0.689 73 A CB 1.014 20.207 19.000 0.321 0.000 1.280 73 A HN 0.834 nan 8.150 nan 0.000 0.406 74 I N -1.978 118.743 120.570 0.252 0.000 2.545 74 I HA 0.844 5.014 4.170 -0.000 0.000 0.292 74 I C -1.011 175.319 176.117 0.356 0.000 1.040 74 I CA -0.718 60.743 61.300 0.268 0.000 1.068 74 I CB 1.975 40.066 38.000 0.153 0.000 1.251 74 I HN 0.766 nan 8.210 nan 0.000 0.424 75 W N 8.922 130.314 121.300 0.152 0.000 2.361 75 W HA 0.767 5.427 4.660 -0.000 0.000 0.314 75 W C -1.275 175.286 176.519 0.070 0.000 1.041 75 W CA -1.890 55.541 57.345 0.143 0.000 1.241 75 W CB 0.801 30.391 29.460 0.217 0.000 1.279 75 W HN 0.666 nan 8.180 nan 0.000 0.436 76 I N 2.513 123.305 120.570 0.370 0.000 2.982 76 I HA 0.656 4.826 4.170 -0.000 0.000 0.312 76 I C 0.319 176.474 176.117 0.064 0.000 1.041 76 I CA -1.039 60.320 61.300 0.099 0.000 1.053 76 I CB 1.637 39.691 38.000 0.091 0.000 1.248 76 I HN 0.219 nan 8.210 nan 0.000 0.471 77 S N 1.737 117.327 115.700 -0.183 0.000 2.566 77 S HA -0.039 4.431 4.470 -0.000 0.000 0.280 77 S C 0.018 174.572 174.600 -0.077 0.000 1.343 77 S CA -0.310 57.706 58.200 -0.307 0.000 1.036 77 S CB 0.287 63.162 63.200 -0.542 0.000 0.866 77 S HN 0.716 nan 8.310 nan 0.000 0.526 78 Q N 2.958 122.677 119.800 -0.134 0.000 2.264 78 Q HA -0.014 4.326 4.340 -0.000 0.000 0.296 78 Q C -1.528 174.522 176.000 0.083 0.000 1.103 78 Q CA -1.014 54.757 55.803 -0.053 0.000 0.967 78 Q CB 0.550 29.213 28.738 -0.125 0.000 1.090 78 Q HN 0.339 nan 8.270 nan 0.000 0.379 79 P HA -0.059 nan 4.420 nan 0.000 0.236 79 P C 0.423 177.782 177.300 0.098 0.000 1.177 79 P CA 0.350 63.602 63.100 0.253 0.000 0.773 79 P CB -0.195 31.404 31.700 -0.167 0.000 0.878 80 V N -1.342 118.505 119.914 -0.112 0.000 3.096 80 V HA 0.139 4.259 4.120 -0.000 0.000 0.306 80 V C 0.513 176.559 176.094 -0.080 0.000 1.088 80 V CA -0.875 61.417 62.300 -0.012 0.000 1.129 80 V CB -0.081 31.705 31.823 -0.063 0.000 1.014 80 V HN -0.003 nan 8.190 nan 0.000 0.486 81 E N 2.895 123.073 120.200 -0.037 0.000 2.417 81 E HA 0.066 4.416 4.350 -0.000 0.000 0.261 81 E C -0.039 176.419 176.600 -0.236 0.000 1.000 81 E CA 0.127 56.450 56.400 -0.129 0.000 0.919 81 E CB 0.177 29.853 29.700 -0.040 0.000 0.955 81 E HN 0.879 nan 8.360 nan 0.000 0.455 82 N N 2.938 121.432 118.700 -0.344 0.000 2.485 82 N HA 0.280 5.020 4.740 -0.000 0.000 0.280 82 N C 0.051 175.299 175.510 -0.436 0.000 1.205 82 N CA -0.736 52.133 53.050 -0.302 0.000 0.959 82 N CB 0.904 39.236 38.487 -0.258 0.000 1.206 82 N HN 0.425 nan 8.380 nan 0.000 0.545 83 I N -1.186 119.270 120.570 -0.191 0.000 2.836 83 I HA 0.016 4.186 4.170 -0.000 0.000 0.285 83 I C 0.126 176.072 176.117 -0.285 0.000 1.174 83 I CA 0.061 61.254 61.300 -0.178 0.000 1.405 83 I CB 0.196 38.189 38.000 -0.012 0.000 1.385 83 I HN 0.568 nan 8.210 nan 0.000 0.594 84 Y N 1.711 122.021 120.300 0.017 0.000 2.478 84 Y HA 0.205 4.755 4.550 -0.000 0.000 0.261 84 Y C 1.488 177.404 175.900 0.027 0.000 1.127 84 Y CA -0.056 58.051 58.100 0.012 0.000 1.288 84 Y CB -0.189 38.251 38.460 -0.034 0.000 1.084 84 Y HN 0.575 nan 8.280 nan 0.000 0.530 85 S N 0.952 116.726 115.700 0.122 0.000 2.576 85 S HA 0.201 4.671 4.470 -0.000 0.000 0.272 85 S C -0.033 174.609 174.600 0.069 0.000 1.352 85 S CA -0.268 57.960 58.200 0.046 0.000 1.021 85 S CB 0.491 63.644 63.200 -0.078 0.000 0.887 85 S HN 0.095 nan 8.310 nan 0.000 0.542 86 I N 2.132 122.730 120.570 0.046 0.000 2.321 86 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 86 I C -0.534 175.574 176.117 -0.014 0.000 0.998 86 I CA -0.258 61.086 61.300 0.073 0.000 1.227 86 I CB 0.836 38.886 38.000 0.084 0.000 1.368 86 I HN 0.440 nan 8.210 nan 0.000 0.466 87 I N 6.011 126.569 120.570 -0.021 0.000 2.315 87 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 87 I C 0.107 176.125 176.117 -0.165 0.000 1.006 87 I CA -0.302 60.873 61.300 -0.207 0.000 1.265 87 I CB 1.116 38.865 38.000 -0.417 0.000 1.387 87 I HN 0.545 nan 8.210 nan 0.000 0.475 88 N N 5.480 124.089 118.700 -0.151 0.000 2.420 88 N HA 0.185 4.925 4.740 -0.000 0.000 0.249 88 N C -1.290 174.169 175.510 -0.086 0.000 1.033 88 N CA -0.336 52.683 53.050 -0.053 0.000 0.944 88 N CB 0.422 38.912 38.487 0.005 0.000 1.113 88 N HN 0.325 nan 8.380 nan 0.000 0.502 89 Y N 3.126 123.494 120.300 0.113 0.000 2.802 89 Y HA 0.214 4.764 4.550 -0.000 0.000 0.330 89 Y C 0.257 176.187 175.900 0.050 0.000 1.193 89 Y CA -0.632 57.519 58.100 0.085 0.000 1.427 89 Y CB -0.066 38.447 38.460 0.090 0.000 1.357 89 Y HN 0.604 nan 8.280 nan 0.000 0.501 90 S N 1.534 117.334 115.700 0.167 0.000 3.766 90 S HA -0.130 4.340 4.470 -0.000 0.000 0.416 90 S C 1.292 175.942 174.600 0.084 0.000 0.902 90 S CA 0.842 59.103 58.200 0.102 0.000 1.283 90 S CB -1.487 61.769 63.200 0.093 0.000 0.891 90 S HN 1.410 nan 8.310 nan 0.000 0.556 91 G N -1.429 107.414 108.800 0.071 0.000 2.454 91 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.225 91 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.225 91 G C 0.217 175.159 174.900 0.069 0.000 1.138 91 G CA 0.223 45.358 45.100 0.058 0.000 0.667 91 G HN 1.965 nan 8.290 nan 0.000 0.512 92 V N 0.060 120.032 119.914 0.098 0.000 2.546 92 V HA 0.722 4.842 4.120 -0.000 0.000 0.284 92 V C 0.107 176.278 176.094 0.129 0.000 1.050 92 V CA -1.418 60.948 62.300 0.109 0.000 0.981 92 V CB 1.539 33.432 31.823 0.118 0.000 0.990 92 V HN 0.285 nan 8.190 nan 0.000 0.474 93 N N 3.722 122.488 118.700 0.109 0.000 2.472 93 N HA 0.397 5.137 4.740 -0.000 0.000 0.277 93 N C -0.647 174.964 175.510 0.168 0.000 1.081 93 N CA -0.154 52.965 53.050 0.114 0.000 0.973 93 N CB 0.684 39.223 38.487 0.086 0.000 1.105 93 N HN 0.803 nan 8.380 nan 0.000 0.470 94 N N 0.162 118.990 118.700 0.214 0.000 2.295 94 N HA 0.350 5.090 4.740 -0.000 0.000 0.293 94 N C -0.649 175.063 175.510 0.337 0.000 1.040 94 N CA -0.398 52.847 53.050 0.324 0.000 0.840 94 N CB 2.199 41.002 38.487 0.526 0.000 1.468 94 N HN 0.522 nan 8.380 nan 0.000 0.478 95 T N -2.373 112.352 114.554 0.285 0.000 2.950 95 T HA 0.575 4.925 4.350 -0.000 0.000 0.288 95 T C 0.610 175.252 174.700 -0.096 0.000 1.035 95 T CA -0.791 61.433 62.100 0.207 0.000 1.028 95 T CB 1.728 70.719 68.868 0.206 0.000 1.109 95 T HN 0.365 nan 8.240 nan 0.000 0.514 96 A N 1.022 123.716 122.820 -0.210 0.000 2.416 96 A HA 0.250 4.570 4.320 -0.000 0.000 0.252 96 A C 1.269 178.188 177.584 -1.108 0.000 1.353 96 A CA -0.178 51.378 52.037 -0.801 0.000 0.996 96 A CB -1.676 17.194 19.000 -0.217 0.000 0.961 96 A HN 0.983 nan 8.150 nan 0.000 0.523 97 Y N -0.075 119.535 120.300 -1.150 0.000 2.315 97 Y HA -0.328 4.222 4.550 -0.000 0.000 0.288 97 Y C 1.843 177.445 175.900 -0.497 0.000 1.154 97 Y CA 1.809 59.248 58.100 -1.102 0.000 1.229 97 Y CB -1.185 36.753 38.460 -0.870 0.000 0.980 97 Y HN 0.658 nan 8.280 nan 0.000 0.540 98 H N -1.250 116.976 119.070 -1.406 0.000 2.495 98 H HA 0.284 4.840 4.556 -0.000 0.000 0.287 98 H C 2.007 176.788 175.328 -0.912 0.000 1.033 98 H CA 0.310 55.741 56.048 -1.029 0.000 1.307 98 H CB -0.716 28.553 29.762 -0.821 0.000 1.401 98 H HN 0.425 nan 8.280 nan 0.000 0.555 99 G N -0.301 108.090 108.800 -0.683 0.000 2.143 99 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.249 99 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.249 99 G C 0.234 174.919 174.900 -0.357 0.000 0.981 99 G CA 0.461 45.298 45.100 -0.438 0.000 0.665 99 G HN 0.539 nan 8.290 nan 0.000 0.528 100 Y N -1.466 118.869 120.300 0.058 0.000 2.466 100 Y HA 0.378 4.928 4.550 -0.000 0.000 0.272 100 Y C 0.905 177.023 175.900 0.363 0.000 1.169 100 Y CA -0.661 57.509 58.100 0.116 0.000 1.285 100 Y CB 0.312 38.790 38.460 0.030 0.000 1.078 100 Y HN 0.379 nan 8.280 nan 0.000 0.523 101 W N 1.520 122.958 121.300 0.229 0.000 2.101 101 W HA 0.688 5.348 4.660 -0.000 0.000 0.301 101 W C 0.062 176.562 176.519 -0.032 0.000 0.846 101 W CA -2.181 55.251 57.345 0.145 0.000 1.823 101 W CB -0.450 29.077 29.460 0.112 0.000 2.007 101 W HN -0.156 nan 8.180 nan 0.000 0.373 102 A N 2.245 125.125 122.820 0.099 0.000 2.498 102 A HA 0.326 4.646 4.320 -0.000 0.000 0.239 102 A C 1.482 179.023 177.584 -0.072 0.000 1.068 102 A CA 0.307 52.211 52.037 -0.221 0.000 0.766 102 A CB 0.521 18.995 19.000 -0.877 0.000 1.003 102 A HN 0.658 nan 8.150 nan 0.000 0.497 103 R N 0.283 120.728 120.500 -0.091 0.000 2.492 103 R HA 0.173 4.513 4.340 -0.000 0.000 0.219 103 R C -0.945 175.493 176.300 0.231 0.000 0.886 103 R CA 0.527 56.698 56.100 0.118 0.000 1.003 103 R CB 0.713 31.075 30.300 0.103 0.000 1.345 103 R HN 0.606 nan 8.270 nan 0.000 0.631 104 D N -0.239 120.218 120.400 0.095 0.000 2.764 104 D HA 0.140 4.780 4.640 -0.000 0.000 0.227 104 D C -0.647 175.802 176.300 0.249 0.000 1.347 104 D CA -0.602 53.576 54.000 0.297 0.000 0.953 104 D CB 1.095 42.051 40.800 0.260 0.000 1.476 104 D HN 0.006 nan 8.370 nan 0.000 0.585 105 F N 2.038 122.250 119.950 0.437 0.000 2.811 105 F HA 0.192 4.719 4.527 -0.000 0.000 0.301 105 F C 2.032 178.116 175.800 0.473 0.000 1.151 105 F CA 0.447 58.686 58.000 0.399 0.000 1.412 105 F CB 0.246 39.447 39.000 0.334 0.000 1.113 105 F HN 0.177 nan 8.300 nan 0.000 0.579 106 K N -0.140 120.554 120.400 0.489 0.000 2.374 106 K HA 0.123 4.442 4.320 -0.000 0.000 0.196 106 K C 0.285 177.015 176.600 0.217 0.000 1.023 106 K CA 0.257 56.722 56.287 0.296 0.000 1.103 106 K CB 0.391 33.020 32.500 0.214 0.000 0.848 106 K HN 0.068 nan 8.250 nan 0.000 0.528 107 K N 0.614 121.193 120.400 0.299 0.000 2.395 107 K HA 0.241 4.561 4.320 -0.000 0.000 0.245 107 K C -0.095 176.706 176.600 0.335 0.000 1.017 107 K CA -0.680 55.747 56.287 0.234 0.000 0.852 107 K CB 1.844 34.438 32.500 0.156 0.000 1.311 107 K HN -0.054 nan 8.250 nan 0.000 0.452 108 T N -1.536 113.198 114.554 0.299 0.000 2.902 108 T HA 0.168 4.518 4.350 -0.000 0.000 0.280 108 T C 0.227 174.993 174.700 0.110 0.000 0.992 108 T CA -0.772 61.533 62.100 0.342 0.000 1.015 108 T CB 0.842 70.004 68.868 0.490 0.000 1.044 108 T HN 0.459 nan 8.240 nan 0.000 0.520 109 N N 2.169 120.854 118.700 -0.026 0.000 2.406 109 N HA 0.233 4.973 4.740 -0.000 0.000 0.251 109 N C -1.684 173.646 175.510 -0.300 0.000 1.069 109 N CA -2.382 50.484 53.050 -0.306 0.000 0.947 109 N CB 1.299 39.346 38.487 -0.733 0.000 1.111 109 N HN 0.352 nan 8.380 nan 0.000 0.497 110 P HA -0.061 nan 4.420 nan 0.000 0.225 110 P C 0.726 177.896 177.300 -0.217 0.000 1.148 110 P CA 0.760 63.783 63.100 -0.127 0.000 0.779 110 P CB 0.186 31.864 31.700 -0.036 0.000 0.780 111 A N -1.368 121.253 122.820 -0.332 0.000 2.014 111 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 111 A C 1.843 179.308 177.584 -0.200 0.000 1.163 111 A CA 1.007 52.853 52.037 -0.319 0.000 0.652 111 A CB -1.337 17.366 19.000 -0.495 0.000 0.808 111 A HN 0.068 nan 8.150 nan 0.000 0.449 112 Y N -0.585 119.430 120.300 -0.476 0.000 2.269 112 Y HA 0.375 4.925 4.550 -0.000 0.000 0.294 112 Y C 1.609 176.864 175.900 -1.075 0.000 1.120 112 Y CA 0.139 57.660 58.100 -0.965 0.000 1.159 112 Y CB -0.787 36.756 38.460 -1.529 0.000 1.024 112 Y HN 0.418 nan 8.280 nan 0.000 0.532 113 G N -1.093 107.356 108.800 -0.585 0.000 2.343 113 G HA2 0.306 4.266 3.960 -0.000 0.000 0.289 113 G HA3 0.306 4.266 3.960 -0.000 0.000 0.289 113 G C -0.726 174.276 174.900 0.170 0.000 1.295 113 G CA -0.490 44.546 45.100 -0.108 0.000 0.869 113 G HN 0.212 nan 8.290 nan 0.000 0.522 114 T N -1.531 113.214 114.554 0.318 0.000 2.884 114 T HA 0.592 4.942 4.350 -0.000 0.000 0.277 114 T C 1.709 176.680 174.700 0.452 0.000 0.976 114 T CA -0.317 61.967 62.100 0.307 0.000 0.956 114 T CB 0.995 69.981 68.868 0.197 0.000 1.113 114 T HN 0.527 nan 8.240 nan 0.000 0.554 115 I N 0.537 121.290 120.570 0.305 0.000 2.361 115 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 115 I C 2.968 179.248 176.117 0.271 0.000 1.133 115 I CA 1.637 63.101 61.300 0.275 0.000 1.413 115 I CB -1.705 36.371 38.000 0.127 0.000 1.073 115 I HN 0.850 nan 8.210 nan 0.000 0.424 116 A N 0.934 123.882 122.820 0.215 0.000 1.898 116 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 116 A C 1.973 179.679 177.584 0.204 0.000 1.181 116 A CA 1.750 53.888 52.037 0.168 0.000 0.620 116 A CB -0.500 18.573 19.000 0.123 0.000 0.819 116 A HN 0.359 nan 8.150 nan 0.000 0.442 117 D N -1.036 119.545 120.400 0.302 0.000 2.144 117 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 117 D C 1.618 178.117 176.300 0.331 0.000 0.984 117 D CA 1.126 55.342 54.000 0.360 0.000 0.834 117 D CB -0.432 40.683 40.800 0.525 0.000 0.955 117 D HN 0.455 nan 8.370 nan 0.000 0.465 118 F N 1.747 121.803 119.950 0.177 0.000 2.095 118 F HA -0.203 4.323 4.527 -0.000 0.000 0.298 118 F C 2.493 178.220 175.800 -0.121 0.000 1.104 118 F CA 1.555 59.433 58.000 -0.203 0.000 1.232 118 F CB -0.189 38.669 39.000 -0.237 0.000 0.987 118 F HN -0.100 nan 8.300 nan 0.000 0.475 119 Q N -0.171 119.668 119.800 0.065 0.000 2.124 119 Q HA -0.231 4.108 4.340 -0.000 0.000 0.202 119 Q C 1.873 177.810 176.000 -0.104 0.000 0.977 119 Q CA 1.996 57.782 55.803 -0.028 0.000 0.850 119 Q CB -0.445 28.324 28.738 0.052 0.000 0.901 119 Q HN 0.599 nan 8.270 nan 0.000 0.429 120 N N 0.002 118.672 118.700 -0.050 0.000 2.188 120 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 120 N C 1.593 177.031 175.510 -0.120 0.000 1.018 120 N CA 0.411 53.433 53.050 -0.047 0.000 0.858 120 N CB -0.020 38.481 38.487 0.023 0.000 0.989 120 N HN 0.076 nan 8.380 nan 0.000 0.426 121 L N 1.534 122.639 121.223 -0.195 0.000 2.012 121 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 121 L C 1.730 178.372 176.870 -0.380 0.000 1.073 121 L CA 1.562 56.231 54.840 -0.285 0.000 0.748 121 L CB -0.686 41.092 42.059 -0.469 0.000 0.891 121 L HN 0.182 nan 8.230 nan 0.000 0.431 122 I N 0.005 120.257 120.570 -0.529 0.000 2.208 122 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 122 I C 2.677 178.481 176.117 -0.522 0.000 1.097 122 I CA 1.461 62.399 61.300 -0.603 0.000 1.363 122 I CB -2.000 35.672 38.000 -0.546 0.000 1.051 122 I HN 0.364 nan 8.210 nan 0.000 0.413 123 A N 0.960 123.616 122.820 -0.274 0.000 1.855 123 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 123 A C 2.610 180.143 177.584 -0.085 0.000 1.191 123 A CA 2.092 54.051 52.037 -0.130 0.000 0.613 123 A CB -0.919 18.040 19.000 -0.068 0.000 0.829 123 A HN 0.398 nan 8.150 nan 0.000 0.442 124 A N -0.101 122.665 122.820 -0.090 0.000 1.883 124 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 124 A C 2.542 180.099 177.584 -0.045 0.000 1.186 124 A CA 2.417 54.424 52.037 -0.050 0.000 0.624 124 A CB -1.197 17.779 19.000 -0.039 0.000 0.822 124 A HN 1.100 nan 8.150 nan 0.000 0.444 125 A N -0.546 122.217 122.820 -0.095 0.000 1.841 125 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 125 A C 1.939 179.549 177.584 0.044 0.000 1.199 125 A CA 1.855 53.858 52.037 -0.056 0.000 0.621 125 A CB -1.340 17.592 19.000 -0.115 0.000 0.835 125 A HN 0.758 nan 8.150 nan 0.000 0.445 126 H N -0.822 118.216 119.070 -0.053 0.000 2.353 126 H HA -0.122 4.434 4.556 -0.000 0.000 0.298 126 H C 2.409 177.710 175.328 -0.044 0.000 1.103 126 H CA 0.774 56.793 56.048 -0.048 0.000 1.293 126 H CB -0.048 29.687 29.762 -0.046 0.000 1.372 126 H HN 0.575 nan 8.280 nan 0.000 0.501 127 A N 0.949 123.821 122.820 0.087 0.000 2.070 127 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 127 A C 1.733 179.327 177.584 0.016 0.000 1.159 127 A CA 1.182 53.240 52.037 0.035 0.000 0.656 127 A CB 0.059 19.069 19.000 0.016 0.000 0.800 127 A HN 0.212 nan 8.150 nan 0.000 0.453 128 K N -0.334 120.076 120.400 0.016 0.000 2.440 128 K HA 0.116 4.436 4.320 -0.000 0.000 0.206 128 K C -0.358 176.236 176.600 -0.010 0.000 1.025 128 K CA -0.139 56.147 56.287 -0.002 0.000 1.135 128 K CB 0.154 32.651 32.500 -0.006 0.000 0.856 128 K HN 0.476 nan 8.250 nan 0.000 0.502 129 N N 0.692 119.390 118.700 -0.005 0.000 2.818 129 N HA -0.173 4.567 4.740 -0.000 0.000 0.250 129 N C -0.566 174.927 175.510 -0.029 0.000 1.108 129 N CA 0.653 53.683 53.050 -0.034 0.000 0.745 129 N CB -1.580 36.872 38.487 -0.059 0.000 1.104 129 N HN 0.299 nan 8.380 nan 0.000 0.557 130 I N 1.055 121.639 120.570 0.023 0.000 2.354 130 I HA 0.200 4.370 4.170 -0.000 0.000 0.292 130 I C 0.682 176.872 176.117 0.122 0.000 0.989 130 I CA -0.514 60.808 61.300 0.037 0.000 1.188 130 I CB 1.425 39.442 38.000 0.027 0.000 1.342 130 I HN -0.202 nan 8.210 nan 0.000 0.457 131 K N 4.494 124.952 120.400 0.096 0.000 2.154 131 K HA 0.575 4.895 4.320 -0.000 0.000 0.264 131 K C -0.937 175.811 176.600 0.246 0.000 1.008 131 K CA -0.610 55.788 56.287 0.184 0.000 0.937 131 K CB 1.729 34.270 32.500 0.068 0.000 1.002 131 K HN 0.275 nan 8.250 nan 0.000 0.469 132 V N 3.879 123.954 119.914 0.268 0.000 2.448 132 V HA 0.419 4.539 4.120 -0.000 0.000 0.295 132 V C -0.292 175.951 176.094 0.249 0.000 1.025 132 V CA -0.771 61.637 62.300 0.180 0.000 0.859 132 V CB 1.274 33.085 31.823 -0.019 0.000 0.988 132 V HN 0.585 nan 8.190 nan 0.000 0.431 133 I N 5.643 126.364 120.570 0.252 0.000 2.569 133 I HA 0.613 4.783 4.170 -0.000 0.000 0.296 133 I C -0.353 175.881 176.117 0.195 0.000 1.028 133 I CA -0.623 60.802 61.300 0.208 0.000 1.082 133 I CB 2.029 40.141 38.000 0.186 0.000 1.264 133 I HN 0.625 nan 8.210 nan 0.000 0.429 134 I N 0.010 120.646 120.570 0.111 0.000 2.846 134 I HA 0.624 4.794 4.170 -0.000 0.000 0.307 134 I C -1.000 175.153 176.117 0.060 0.000 1.053 134 I CA -0.839 60.538 61.300 0.128 0.000 1.050 134 I CB 1.944 39.985 38.000 0.069 0.000 1.239 134 I HN 0.281 nan 8.210 nan 0.000 0.439 135 D N 2.598 123.085 120.400 0.144 0.000 2.341 135 D HA 0.423 5.063 4.640 -0.000 0.000 0.245 135 D C -1.471 174.939 176.300 0.183 0.000 1.106 135 D CA 0.533 54.619 54.000 0.144 0.000 0.905 135 D CB 1.314 42.230 40.800 0.192 0.000 1.202 135 D HN 0.434 nan 8.370 nan 0.000 0.426 136 F N 1.058 121.009 119.950 0.001 0.000 2.579 136 F HA 0.499 5.026 4.527 -0.000 0.000 0.325 136 F C -0.885 174.974 175.800 0.098 0.000 1.162 136 F CA -0.994 57.032 58.000 0.042 0.000 0.946 136 F CB 1.511 40.532 39.000 0.035 0.000 1.211 136 F HN 0.275 nan 8.300 nan 0.000 0.447 137 A N 7.569 130.270 122.820 -0.199 0.000 3.064 137 A HA 0.501 4.821 4.320 -0.000 0.000 0.339 137 A C -2.367 175.073 177.584 -0.240 0.000 1.078 137 A CA -1.128 50.841 52.037 -0.114 0.000 0.869 137 A CB -0.271 18.781 19.000 0.087 0.000 1.067 137 A HN 0.436 nan 8.150 nan 0.000 0.480 138 P HA -0.013 nan 4.420 nan 0.000 0.253 138 P C 0.626 177.873 177.300 -0.088 0.000 1.281 138 P CA 0.462 63.364 63.100 -0.330 0.000 0.792 138 P CB -0.023 31.506 31.700 -0.285 0.000 1.193 139 N N 0.717 119.362 118.700 -0.091 0.000 2.354 139 N HA -0.096 4.644 4.740 -0.000 0.000 0.179 139 N C 0.762 176.345 175.510 0.122 0.000 1.021 139 N CA 0.453 53.560 53.050 0.095 0.000 0.887 139 N CB 0.019 38.627 38.487 0.201 0.000 0.974 139 N HN 0.266 nan 8.380 nan 0.000 0.437 140 H N -4.473 114.684 119.070 0.144 0.000 2.918 140 H HA 0.260 4.816 4.556 -0.000 0.000 0.303 140 H C -0.178 175.316 175.328 0.277 0.000 1.380 140 H CA -0.106 56.043 56.048 0.167 0.000 1.134 140 H CB 0.727 30.558 29.762 0.116 0.000 1.842 140 H HN 0.037 nan 8.280 nan 0.000 0.533 141 T N -0.734 114.075 114.554 0.425 0.000 3.608 141 T HA 0.346 4.696 4.350 -0.000 0.000 0.213 141 T C 0.630 175.544 174.700 0.357 0.000 0.897 141 T CA 0.817 63.132 62.100 0.359 0.000 1.533 141 T CB -0.550 68.521 68.868 0.338 0.000 1.504 141 T HN 0.830 nan 8.240 nan 0.000 0.446 142 S N 0.879 116.653 115.700 0.124 0.000 2.671 142 S HA 0.684 5.154 4.470 -0.000 0.000 0.277 142 S C -3.347 171.073 174.600 -0.301 0.000 1.165 142 S CA -1.660 56.464 58.200 -0.126 0.000 0.822 142 S CB 1.152 64.264 63.200 -0.147 0.000 1.150 142 S HN 0.304 nan 8.310 nan 0.000 0.479 143 P HA 0.488 nan 4.420 nan 0.000 0.267 143 P C -0.941 176.267 177.300 -0.153 0.000 1.209 143 P CA 0.219 63.150 63.100 -0.282 0.000 0.763 143 P CB 0.403 31.953 31.700 -0.250 0.000 0.816 144 A N 2.545 125.318 122.820 -0.078 0.000 2.527 144 A HA 0.764 5.084 4.320 -0.000 0.000 0.293 144 A C -0.883 176.740 177.584 0.065 0.000 1.117 144 A CA -0.585 51.438 52.037 -0.023 0.000 0.723 144 A CB 1.621 20.415 19.000 -0.344 0.000 1.313 144 A HN 0.357 nan 8.150 nan 0.000 0.411 145 S N -0.330 115.478 115.700 0.181 0.000 2.779 145 S HA 0.436 4.906 4.470 -0.000 0.000 0.293 145 S C 0.910 175.623 174.600 0.188 0.000 1.150 145 S CA 0.139 58.397 58.200 0.096 0.000 1.057 145 S CB 0.868 64.034 63.200 -0.058 0.000 1.021 145 S HN 1.365 nan 8.310 nan 0.000 0.485 146 S N 3.489 119.352 115.700 0.273 0.000 2.400 146 S HA -0.185 4.285 4.470 -0.000 0.000 0.232 146 S C 0.837 175.481 174.600 0.073 0.000 1.025 146 S CA 1.742 60.066 58.200 0.206 0.000 0.993 146 S CB -0.676 62.605 63.200 0.135 0.000 0.808 146 S HN 0.915 nan 8.310 nan 0.000 0.478 147 D N -0.459 119.971 120.400 0.050 0.000 2.402 147 D HA 0.189 4.829 4.640 -0.000 0.000 0.216 147 D C 0.552 176.864 176.300 0.020 0.000 1.128 147 D CA -0.219 53.792 54.000 0.017 0.000 0.833 147 D CB -0.013 40.786 40.800 -0.002 0.000 0.971 147 D HN 0.350 nan 8.370 nan 0.000 0.503 148 Q N 0.482 120.308 119.800 0.043 0.000 3.048 148 Q HA 0.172 4.512 4.340 -0.000 0.000 0.337 148 Q C -1.993 174.074 176.000 0.112 0.000 0.845 148 Q CA -1.765 54.072 55.803 0.056 0.000 0.942 148 Q CB 1.253 30.005 28.738 0.023 0.000 1.454 148 Q HN 0.010 nan 8.270 nan 0.000 0.392 149 P HA -0.187 nan 4.420 nan 0.000 0.220 149 P C 0.916 178.257 177.300 0.069 0.000 1.144 149 P CA 1.352 64.496 63.100 0.074 0.000 0.800 149 P CB 0.181 31.905 31.700 0.041 0.000 0.772 150 S N -2.051 113.694 115.700 0.075 0.000 2.562 150 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 150 S C 0.519 175.163 174.600 0.074 0.000 0.975 150 S CA -0.436 57.798 58.200 0.057 0.000 0.918 150 S CB -1.144 62.085 63.200 0.048 0.000 0.772 150 S HN 0.051 nan 8.310 nan 0.000 0.531 151 F N 3.804 123.729 119.950 -0.041 0.000 2.472 151 F HA 0.551 5.078 4.527 -0.000 0.000 0.364 151 F C 0.892 176.639 175.800 -0.089 0.000 1.090 151 F CA -0.350 57.608 58.000 -0.070 0.000 1.188 151 F CB -0.177 38.778 39.000 -0.076 0.000 1.105 151 F HN 0.451 nan 8.300 nan 0.000 0.536 152 A N 4.895 127.187 122.820 -0.880 0.000 5.479 152 A HA -0.328 3.992 4.320 -0.000 0.000 0.301 152 A C 0.970 178.356 177.584 -0.329 0.000 1.961 152 A CA 1.324 52.910 52.037 -0.752 0.000 0.716 152 A CB -1.504 16.826 19.000 -1.117 0.000 1.266 152 A HN 0.801 nan 8.150 nan 0.000 0.372 153 E N 1.100 121.146 120.200 -0.257 0.000 2.569 153 E HA 0.239 4.589 4.350 -0.000 0.000 0.205 153 E C 0.460 177.024 176.600 -0.060 0.000 1.006 153 E CA 0.357 56.706 56.400 -0.086 0.000 0.985 153 E CB -0.025 29.677 29.700 0.003 0.000 1.060 153 E HN 0.660 nan 8.360 nan 0.000 0.460 154 N N 0.692 119.333 118.700 -0.099 0.000 2.708 154 N HA -0.240 4.500 4.740 -0.000 0.000 0.251 154 N C 0.671 176.125 175.510 -0.094 0.000 1.123 154 N CA 0.431 53.456 53.050 -0.040 0.000 0.739 154 N CB -0.740 37.753 38.487 0.010 0.000 1.113 154 N HN 0.543 nan 8.380 nan 0.000 0.561 155 G N 0.254 108.967 108.800 -0.146 0.000 2.225 155 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 155 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 155 G C 0.152 175.032 174.900 -0.033 0.000 1.024 155 G CA 0.729 45.726 45.100 -0.172 0.000 0.784 155 G HN 0.628 nan 8.290 nan 0.000 0.507 156 R N -1.087 119.431 120.500 0.031 0.000 2.585 156 R HA 0.351 4.691 4.340 -0.000 0.000 0.275 156 R C 0.151 176.519 176.300 0.113 0.000 1.018 156 R CA -0.083 56.047 56.100 0.051 0.000 1.072 156 R CB 0.533 30.833 30.300 0.001 0.000 0.953 156 R HN 0.306 nan 8.270 nan 0.000 0.419 157 L N 3.953 125.178 121.223 0.003 0.000 2.333 157 L HA 0.394 4.734 4.340 -0.000 0.000 0.280 157 L C -1.576 175.152 176.870 -0.237 0.000 1.004 157 L CA -0.459 54.401 54.840 0.033 0.000 0.820 157 L CB 1.103 43.207 42.059 0.075 0.000 1.247 157 L HN 0.401 nan 8.230 nan 0.000 0.416 158 Y N 2.165 122.509 120.300 0.074 0.000 2.468 158 Y HA 0.471 5.021 4.550 -0.000 0.000 0.342 158 Y C -0.393 175.575 175.900 0.112 0.000 1.021 158 Y CA -0.890 57.252 58.100 0.071 0.000 1.079 158 Y CB 1.604 40.129 38.460 0.109 0.000 1.226 158 Y HN 0.516 nan 8.280 nan 0.000 0.460 159 D N 2.699 123.255 120.400 0.259 0.000 2.485 159 D HA 0.108 4.748 4.640 -0.000 0.000 0.229 159 D C -0.220 176.275 176.300 0.325 0.000 1.101 159 D CA -0.314 53.896 54.000 0.349 0.000 0.906 159 D CB -0.174 40.752 40.800 0.210 0.000 1.019 159 D HN 0.625 nan 8.370 nan 0.000 0.516 160 N N 3.449 122.354 118.700 0.342 0.000 2.705 160 N HA -0.248 4.492 4.740 -0.000 0.000 0.255 160 N C 0.984 176.599 175.510 0.176 0.000 1.008 160 N CA 1.921 55.105 53.050 0.225 0.000 0.742 160 N CB -1.093 37.499 38.487 0.175 0.000 0.906 160 N HN 0.791 nan 8.380 nan 0.000 0.541 161 G N -2.112 106.800 108.800 0.186 0.000 2.299 161 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.237 161 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.237 161 G C 0.274 175.327 174.900 0.256 0.000 1.027 161 G CA 0.415 45.596 45.100 0.134 0.000 0.619 161 G HN 0.749 nan 8.290 nan 0.000 0.513 162 T N 2.843 117.555 114.554 0.264 0.000 2.780 162 T HA 0.537 4.887 4.350 -0.000 0.000 0.294 162 T C 0.424 175.261 174.700 0.229 0.000 0.949 162 T CA -0.409 61.828 62.100 0.228 0.000 1.074 162 T CB 1.771 70.718 68.868 0.131 0.000 0.910 162 T HN 0.386 nan 8.240 nan 0.000 0.501 163 L N 5.444 126.755 121.223 0.147 0.000 2.500 163 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 163 L C 0.727 177.487 176.870 -0.182 0.000 1.149 163 L CA 0.091 54.792 54.840 -0.232 0.000 0.897 163 L CB 0.214 42.158 42.059 -0.192 0.000 1.178 163 L HN 0.800 nan 8.230 nan 0.000 0.473 164 L N 5.179 126.247 121.223 -0.257 0.000 2.145 164 L HA 0.287 4.627 4.340 -0.000 0.000 0.201 164 L C 0.989 177.770 176.870 -0.148 0.000 1.075 164 L CA 0.687 55.416 54.840 -0.184 0.000 0.773 164 L CB -0.088 41.822 42.059 -0.247 0.000 0.936 164 L HN 0.796 nan 8.230 nan 0.000 0.451 165 G N -1.581 107.130 108.800 -0.149 0.000 2.328 165 G HA2 0.455 4.415 3.960 -0.000 0.000 0.295 165 G HA3 0.455 4.415 3.960 -0.000 0.000 0.295 165 G C -1.546 173.405 174.900 0.085 0.000 1.413 165 G CA -0.095 44.990 45.100 -0.025 0.000 0.817 165 G HN 0.147 nan 8.290 nan 0.000 0.546 166 G N -1.921 106.962 108.800 0.138 0.000 2.714 166 G HA2 0.502 4.462 3.960 -0.000 0.000 0.292 166 G HA3 0.502 4.462 3.960 -0.000 0.000 0.292 166 G C 0.121 175.085 174.900 0.107 0.000 1.308 166 G CA -0.359 44.807 45.100 0.111 0.000 0.964 166 G HN 0.650 nan 8.290 nan 0.000 0.484 167 Y N 0.215 120.355 120.300 -0.266 0.000 2.293 167 Y HA 0.098 4.648 4.550 -0.000 0.000 0.291 167 Y C 1.757 177.652 175.900 -0.009 0.000 1.137 167 Y CA 1.307 59.219 58.100 -0.314 0.000 1.202 167 Y CB 0.116 38.317 38.460 -0.432 0.000 0.990 167 Y HN 0.308 nan 8.280 nan 0.000 0.537 168 T N 2.353 116.907 114.554 -0.000 0.000 2.817 168 T HA 0.106 4.456 4.350 -0.000 0.000 0.293 168 T C -0.131 174.532 174.700 -0.063 0.000 0.964 168 T CA -0.374 61.696 62.100 -0.049 0.000 1.085 168 T CB 0.373 69.243 68.868 0.002 0.000 0.921 168 T HN 0.294 nan 8.240 nan 0.000 0.502 169 N N 1.997 120.629 118.700 -0.113 0.000 2.783 169 N HA -0.144 4.596 4.740 -0.000 0.000 0.247 169 N C -0.716 174.743 175.510 -0.085 0.000 1.089 169 N CA 0.370 53.361 53.050 -0.099 0.000 0.690 169 N CB -0.709 37.745 38.487 -0.055 0.000 0.991 169 N HN 0.757 nan 8.380 nan 0.000 0.552 170 D N 0.433 120.756 120.400 -0.128 0.000 2.551 170 D HA 0.150 4.790 4.640 -0.000 0.000 0.223 170 D C 1.557 177.811 176.300 -0.077 0.000 1.144 170 D CA 0.321 54.308 54.000 -0.022 0.000 1.025 170 D CB 0.188 41.108 40.800 0.200 0.000 1.085 170 D HN 0.348 nan 8.370 nan 0.000 0.506 171 T N -0.187 114.329 114.554 -0.063 0.000 2.904 171 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 171 T C 1.718 176.389 174.700 -0.048 0.000 1.059 171 T CA 0.756 62.816 62.100 -0.067 0.000 1.137 171 T CB -0.146 68.687 68.868 -0.057 0.000 0.879 171 T HN 0.289 nan 8.240 nan 0.000 0.467 172 Q N 0.920 120.697 119.800 -0.037 0.000 2.230 172 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 172 Q C 0.297 176.268 176.000 -0.048 0.000 0.963 172 Q CA 0.511 56.286 55.803 -0.046 0.000 0.866 172 Q CB -0.113 28.588 28.738 -0.062 0.000 0.931 172 Q HN 0.625 nan 8.270 nan 0.000 0.452 173 N N -1.432 117.258 118.700 -0.017 0.000 2.816 173 N HA -0.163 4.576 4.740 -0.000 0.000 0.247 173 N C 0.017 175.473 175.510 -0.089 0.000 1.100 173 N CA 0.056 53.114 53.050 0.013 0.000 0.687 173 N CB -1.034 37.454 38.487 0.001 0.000 1.003 173 N HN 0.187 nan 8.380 nan 0.000 0.554 174 L N -1.369 119.748 121.223 -0.176 0.000 2.201 174 L HA 0.016 4.356 4.340 -0.000 0.000 0.212 174 L C 0.630 177.029 176.870 -0.786 0.000 1.105 174 L CA 1.133 55.654 54.840 -0.532 0.000 0.775 174 L CB -0.184 41.423 42.059 -0.754 0.000 0.913 174 L HN 0.164 nan 8.230 nan 0.000 0.440 175 F N -2.462 117.416 119.950 -0.120 0.000 2.613 175 F HA 0.373 4.900 4.527 -0.000 0.000 0.342 175 F C 0.408 176.004 175.800 -0.340 0.000 1.066 175 F CA -0.942 56.922 58.000 -0.225 0.000 1.002 175 F CB 0.628 39.606 39.000 -0.036 0.000 1.319 175 F HN -0.236 nan 8.300 nan 0.000 0.495 176 H N -0.274 118.790 119.070 -0.009 0.000 2.502 176 H HA 0.317 4.873 4.556 -0.000 0.000 0.327 176 H C -0.644 174.488 175.328 -0.326 0.000 1.099 176 H CA -0.445 55.549 56.048 -0.090 0.000 1.323 176 H CB 0.716 30.482 29.762 0.006 0.000 1.450 176 H HN 0.432 nan 8.280 nan 0.000 0.502 177 H N 2.893 122.093 119.070 0.216 0.000 2.500 177 H HA 0.138 4.694 4.556 -0.000 0.000 0.243 177 H C -0.092 175.264 175.328 0.046 0.000 1.318 177 H CA -0.225 55.878 56.048 0.092 0.000 1.077 177 H CB 0.247 29.976 29.762 -0.056 0.000 1.748 177 H HN 0.679 nan 8.280 nan 0.000 0.556 178 N N 0.726 119.477 118.700 0.084 0.000 2.187 178 N HA 0.150 4.890 4.740 -0.000 0.000 0.212 178 N C 1.173 176.670 175.510 -0.022 0.000 1.152 178 N CA 0.627 53.677 53.050 -0.001 0.000 0.872 178 N CB 2.308 40.751 38.487 -0.072 0.000 1.025 178 N HN 0.641 nan 8.380 nan 0.000 0.514 179 G N -0.065 108.740 108.800 0.008 0.000 2.548 179 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.208 179 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.208 179 G C -0.295 174.558 174.900 -0.079 0.000 1.308 179 G CA -0.552 44.532 45.100 -0.027 0.000 0.924 179 G HN 0.367 nan 8.290 nan 0.000 0.540 180 G N -0.878 107.850 108.800 -0.120 0.000 2.388 180 G HA2 0.695 4.655 3.960 -0.000 0.000 0.330 180 G HA3 0.695 4.655 3.960 -0.000 0.000 0.330 180 G C 0.122 174.864 174.900 -0.263 0.000 1.142 180 G CA 1.005 45.987 45.100 -0.197 0.000 0.908 180 G HN 1.308 nan 8.290 nan 0.000 0.473 181 T N -0.510 113.789 114.554 -0.424 0.000 2.913 181 T HA 0.264 4.614 4.350 -0.000 0.000 0.297 181 T C 0.742 175.098 174.700 -0.573 0.000 1.029 181 T CA -0.052 61.734 62.100 -0.523 0.000 1.104 181 T CB 0.883 69.303 68.868 -0.746 0.000 0.964 181 T HN 0.590 nan 8.240 nan 0.000 0.532 182 D N 2.416 122.588 120.400 -0.380 0.000 2.440 182 D HA 0.067 4.707 4.640 -0.000 0.000 0.216 182 D C 0.553 176.829 176.300 -0.040 0.000 1.150 182 D CA -0.427 53.456 54.000 -0.194 0.000 0.832 182 D CB -0.679 40.071 40.800 -0.083 0.000 0.992 182 D HN 0.595 nan 8.370 nan 0.000 0.502 183 F N 0.439 120.319 119.950 -0.116 0.000 3.021 183 F HA -0.346 4.181 4.527 -0.000 0.000 0.294 183 F C 2.091 177.855 175.800 -0.060 0.000 0.761 183 F CA 0.758 58.704 58.000 -0.089 0.000 1.102 183 F CB -2.493 36.452 39.000 -0.093 0.000 1.380 183 F HN 0.185 nan 8.300 nan 0.000 0.387 184 S N -0.917 114.806 115.700 0.038 0.000 2.359 184 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 184 S C 1.078 175.689 174.600 0.018 0.000 1.035 184 S CA 1.532 59.745 58.200 0.023 0.000 1.018 184 S CB -0.409 62.782 63.200 -0.015 0.000 0.876 184 S HN 0.696 nan 8.310 nan 0.000 0.448 185 T N -3.643 110.903 114.554 -0.014 0.000 2.831 185 T HA 0.552 4.902 4.350 -0.000 0.000 0.287 185 T C 0.751 175.432 174.700 -0.033 0.000 1.070 185 T CA -0.160 61.931 62.100 -0.016 0.000 1.010 185 T CB 1.151 69.987 68.868 -0.053 0.000 1.264 185 T HN -0.018 nan 8.240 nan 0.000 0.532 186 T N 0.194 114.734 114.554 -0.023 0.000 2.737 186 T HA -0.053 4.297 4.350 -0.000 0.000 0.265 186 T C 1.693 176.272 174.700 -0.201 0.000 1.038 186 T CA 1.629 63.699 62.100 -0.051 0.000 1.144 186 T CB -0.425 68.507 68.868 0.106 0.000 0.866 186 T HN 0.801 nan 8.240 nan 0.000 0.434 187 E N 1.272 121.258 120.200 -0.356 0.000 2.085 187 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 187 E C 2.287 178.754 176.600 -0.222 0.000 0.994 187 E CA 0.981 57.038 56.400 -0.571 0.000 0.801 187 E CB -0.175 28.995 29.700 -0.883 0.000 0.743 187 E HN 0.367 nan 8.360 nan 0.000 0.453 188 N N 0.124 118.716 118.700 -0.179 0.000 2.104 188 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 188 N C 1.891 177.297 175.510 -0.174 0.000 1.024 188 N CA 1.559 54.522 53.050 -0.145 0.000 0.853 188 N CB -0.323 38.083 38.487 -0.135 0.000 1.008 188 N HN 0.242 nan 8.380 nan 0.000 0.424 189 G N 0.100 108.807 108.800 -0.156 0.000 2.679 189 G HA2 0.003 3.962 3.960 -0.000 0.000 0.212 189 G HA3 0.003 3.962 3.960 -0.000 0.000 0.212 189 G C 1.610 176.505 174.900 -0.009 0.000 1.137 189 G CA 0.048 45.090 45.100 -0.096 0.000 0.787 189 G HN 0.318 nan 8.290 nan 0.000 0.534 190 I N -1.490 118.969 120.570 -0.185 0.000 2.685 190 I HA 0.109 4.279 4.170 -0.000 0.000 0.251 190 I C 1.504 177.352 176.117 -0.447 0.000 1.102 190 I CA 0.372 61.463 61.300 -0.349 0.000 1.442 190 I CB 0.223 37.862 38.000 -0.601 0.000 1.194 190 I HN 0.078 nan 8.210 nan 0.000 0.448 191 Y N 1.323 121.506 120.300 -0.195 0.000 2.466 191 Y HA 0.230 4.780 4.550 -0.000 0.000 0.272 191 Y C 0.728 176.384 175.900 -0.407 0.000 1.169 191 Y CA -0.013 57.840 58.100 -0.411 0.000 1.285 191 Y CB -0.151 38.081 38.460 -0.378 0.000 1.078 191 Y HN -0.051 nan 8.280 nan 0.000 0.523 192 K N 0.125 120.430 120.400 -0.159 0.000 2.306 192 K HA 0.307 4.627 4.320 -0.000 0.000 0.236 192 K C -0.664 175.837 176.600 -0.164 0.000 1.013 192 K CA -1.221 54.971 56.287 -0.158 0.000 0.857 192 K CB 0.818 33.203 32.500 -0.191 0.000 1.214 192 K HN -0.125 nan 8.250 nan 0.000 0.449 193 N N 1.183 119.782 118.700 -0.168 0.000 2.525 193 N HA 0.139 4.879 4.740 -0.000 0.000 0.271 193 N C -0.555 174.736 175.510 -0.365 0.000 1.194 193 N CA -0.176 52.753 53.050 -0.202 0.000 0.964 193 N CB 0.451 38.826 38.487 -0.187 0.000 1.126 193 N HN 0.351 nan 8.380 nan 0.000 0.452 194 L N 4.203 125.191 121.223 -0.393 0.000 2.363 194 L HA 0.127 4.467 4.340 -0.000 0.000 0.286 194 L C 0.101 176.682 176.870 -0.481 0.000 1.106 194 L CA 0.098 54.549 54.840 -0.648 0.000 0.859 194 L CB -0.753 40.994 42.059 -0.520 0.000 1.223 194 L HN 0.518 nan 8.230 nan 0.000 0.446 195 F N 0.787 120.603 119.950 -0.223 0.000 2.208 195 F HA -0.410 4.117 4.527 -0.000 0.000 0.342 195 F C 1.398 177.092 175.800 -0.177 0.000 1.315 195 F CA 1.501 59.401 58.000 -0.168 0.000 1.018 195 F CB -1.037 37.878 39.000 -0.141 0.000 3.928 195 F HN 0.684 nan 8.300 nan 0.000 0.148 196 D N 0.974 121.427 120.400 0.090 0.000 2.469 196 D HA 0.266 4.906 4.640 -0.000 0.000 0.215 196 D C 0.035 176.249 176.300 -0.144 0.000 1.154 196 D CA 0.112 54.086 54.000 -0.044 0.000 0.832 196 D CB -0.609 40.203 40.800 0.021 0.000 1.008 196 D HN 0.415 nan 8.370 nan 0.000 0.506 197 L N 1.384 122.519 121.223 -0.147 0.000 2.462 197 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 197 L C 0.790 177.511 176.870 -0.248 0.000 1.166 197 L CA -0.734 53.973 54.840 -0.221 0.000 0.880 197 L CB 0.619 42.475 42.059 -0.339 0.000 1.142 197 L HN 0.006 nan 8.230 nan 0.000 0.473 198 A N 2.889 125.524 122.820 -0.308 0.000 2.505 198 A HA 0.004 4.324 4.320 -0.000 0.000 0.271 198 A C 0.025 177.632 177.584 0.037 0.000 1.112 198 A CA -0.246 51.532 52.037 -0.433 0.000 0.781 198 A CB -0.374 18.203 19.000 -0.706 0.000 1.059 198 A HN 0.744 nan 8.150 nan 0.000 0.508 199 D N 2.685 123.119 120.400 0.056 0.000 2.358 199 D HA 0.312 4.952 4.640 -0.000 0.000 0.258 199 D C 0.145 176.514 176.300 0.117 0.000 1.223 199 D CA 0.263 54.350 54.000 0.146 0.000 0.886 199 D CB 0.222 41.119 40.800 0.162 0.000 1.120 199 D HN 0.491 nan 8.370 nan 0.000 0.482 200 L N 3.457 124.661 121.223 -0.032 0.000 2.456 200 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 200 L C 0.692 177.080 176.870 -0.803 0.000 1.189 200 L CA -0.212 54.375 54.840 -0.422 0.000 0.846 200 L CB 0.344 42.079 42.059 -0.540 0.000 1.111 200 L HN 0.440 nan 8.230 nan 0.000 0.475 201 N N 0.897 119.074 118.700 -0.872 0.000 2.558 201 N HA 0.110 4.850 4.740 -0.000 0.000 0.233 201 N C 0.529 175.624 175.510 -0.692 0.000 1.038 201 N CA -0.261 52.271 53.050 -0.864 0.000 0.934 201 N CB 0.431 38.515 38.487 -0.671 0.000 1.175 201 N HN 0.420 nan 8.380 nan 0.000 0.512 202 H N 1.251 120.048 119.070 -0.454 0.000 2.545 202 H HA -0.016 4.540 4.556 -0.000 0.000 0.282 202 H C 1.066 176.227 175.328 -0.278 0.000 1.020 202 H CA 0.791 56.469 56.048 -0.617 0.000 1.243 202 H CB 0.180 29.134 29.762 -1.345 0.000 1.377 202 H HN 0.555 nan 8.280 nan 0.000 0.581 203 N N 0.652 119.327 118.700 -0.041 0.000 2.467 203 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 203 N C 0.003 175.523 175.510 0.016 0.000 1.106 203 N CA -0.062 53.027 53.050 0.065 0.000 0.892 203 N CB 0.110 38.679 38.487 0.137 0.000 0.969 203 N HN 0.169 nan 8.380 nan 0.000 0.454 204 N N 0.141 118.798 118.700 -0.071 0.000 2.408 204 N HA 0.071 4.811 4.740 -0.000 0.000 0.257 204 N C 0.195 175.689 175.510 -0.027 0.000 1.064 204 N CA 0.157 53.164 53.050 -0.071 0.000 0.952 204 N CB 1.181 39.579 38.487 -0.149 0.000 1.093 204 N HN -0.038 nan 8.380 nan 0.000 0.490 205 S N 2.393 118.104 115.700 0.018 0.000 2.387 205 S HA -0.145 4.325 4.470 -0.000 0.000 0.230 205 S C 1.532 176.167 174.600 0.057 0.000 1.035 205 S CA 1.744 59.978 58.200 0.058 0.000 1.014 205 S CB -0.093 63.140 63.200 0.055 0.000 0.836 205 S HN 0.731 nan 8.310 nan 0.000 0.466 206 T N 1.698 116.258 114.554 0.011 0.000 2.674 206 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 206 T C 1.919 176.640 174.700 0.035 0.000 1.039 206 T CA 1.366 63.472 62.100 0.010 0.000 1.150 206 T CB -0.401 68.436 68.868 -0.053 0.000 0.864 206 T HN 0.200 nan 8.240 nan 0.000 0.427 207 V N 1.732 121.615 119.914 -0.051 0.000 2.343 207 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 207 V C 2.361 178.520 176.094 0.108 0.000 1.051 207 V CA 2.113 64.377 62.300 -0.060 0.000 1.036 207 V CB -0.672 30.985 31.823 -0.277 0.000 0.654 207 V HN 0.531 nan 8.190 nan 0.000 0.451 208 D N 0.124 120.602 120.400 0.131 0.000 2.092 208 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 208 D C 1.968 178.484 176.300 0.360 0.000 0.994 208 D CA 1.943 56.146 54.000 0.338 0.000 0.828 208 D CB -0.155 40.852 40.800 0.344 0.000 0.963 208 D HN 0.210 nan 8.370 nan 0.000 0.450 209 V N -0.168 119.892 119.914 0.244 0.000 2.427 209 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 209 V C 2.114 178.329 176.094 0.202 0.000 1.051 209 V CA 1.726 64.142 62.300 0.193 0.000 1.048 209 V CB -0.926 30.981 31.823 0.140 0.000 0.666 209 V HN 0.335 nan 8.190 nan 0.000 0.456 210 Y N 0.855 121.218 120.300 0.106 0.000 2.128 210 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 210 Y C 2.170 178.161 175.900 0.153 0.000 1.154 210 Y CA 1.803 59.965 58.100 0.102 0.000 1.149 210 Y CB -0.320 38.175 38.460 0.059 0.000 0.976 210 Y HN 0.155 nan 8.280 nan 0.000 0.505 211 L N -0.049 121.245 121.223 0.120 0.000 2.056 211 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 211 L C 2.401 179.448 176.870 0.296 0.000 1.078 211 L CA 1.698 56.633 54.840 0.159 0.000 0.749 211 L CB -0.531 41.749 42.059 0.368 0.000 0.901 211 L HN 0.116 nan 8.230 nan 0.000 0.433 212 K N -0.229 120.342 120.400 0.285 0.000 2.147 212 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 212 K C 1.620 178.198 176.600 -0.035 0.000 1.049 212 K CA 1.233 57.583 56.287 0.106 0.000 0.936 212 K CB -0.054 32.483 32.500 0.062 0.000 0.722 212 K HN 0.251 nan 8.250 nan 0.000 0.446 213 D N 0.251 120.633 120.400 -0.030 0.000 2.194 213 D HA -0.024 4.616 4.640 -0.000 0.000 0.204 213 D C 1.817 178.064 176.300 -0.088 0.000 0.964 213 D CA 0.886 54.834 54.000 -0.088 0.000 0.846 213 D CB -0.002 40.763 40.800 -0.058 0.000 0.962 213 D HN 0.158 nan 8.370 nan 0.000 0.490 214 A N 1.036 123.807 122.820 -0.082 0.000 1.902 214 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 214 A C 2.188 179.892 177.584 0.199 0.000 1.181 214 A CA 0.848 52.908 52.037 0.038 0.000 0.623 214 A CB -0.619 18.409 19.000 0.046 0.000 0.818 214 A HN 0.195 nan 8.150 nan 0.000 0.443 215 I N -0.069 120.576 120.570 0.125 0.000 2.361 215 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 215 I C 2.082 178.210 176.117 0.018 0.000 1.133 215 I CA 1.585 62.874 61.300 -0.018 0.000 1.413 215 I CB -0.247 37.610 38.000 -0.239 0.000 1.073 215 I HN 0.260 nan 8.210 nan 0.000 0.424 216 K N -0.413 119.949 120.400 -0.063 0.000 2.147 216 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 216 K C 2.139 178.738 176.600 -0.003 0.000 1.049 216 K CA 1.751 57.997 56.287 -0.068 0.000 0.936 216 K CB -0.303 31.994 32.500 -0.339 0.000 0.722 216 K HN 0.433 nan 8.250 nan 0.000 0.446 217 M N -0.195 119.342 119.600 -0.105 0.000 2.086 217 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 217 M C 1.422 177.548 176.300 -0.290 0.000 1.067 217 M CA 1.852 57.000 55.300 -0.254 0.000 1.116 217 M CB -0.193 32.125 32.600 -0.470 0.000 1.348 217 M HN 0.190 nan 8.290 nan 0.000 0.407 218 W N 0.706 122.005 121.300 -0.001 0.000 2.363 218 W HA -0.115 4.545 4.660 -0.000 0.000 0.296 218 W C 2.115 178.674 176.519 0.067 0.000 1.212 218 W CA 0.682 58.031 57.345 0.005 0.000 1.260 218 W CB -0.573 28.858 29.460 -0.049 0.000 1.131 218 W HN 0.202 nan 8.180 nan 0.000 0.530 219 L N 0.002 121.368 121.223 0.238 0.000 2.046 219 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 219 L C 1.855 178.821 176.870 0.161 0.000 1.077 219 L CA 1.279 56.236 54.840 0.196 0.000 0.747 219 L CB -0.749 41.438 42.059 0.213 0.000 0.896 219 L HN -0.071 nan 8.230 nan 0.000 0.432 220 D N -0.101 120.382 120.400 0.139 0.000 2.310 220 D HA -0.081 4.559 4.640 -0.000 0.000 0.212 220 D C 2.113 178.462 176.300 0.081 0.000 0.965 220 D CA 0.897 54.954 54.000 0.095 0.000 0.879 220 D CB 0.036 40.883 40.800 0.078 0.000 0.921 220 D HN 0.293 nan 8.370 nan 0.000 0.510 221 L N -0.671 120.619 121.223 0.112 0.000 2.599 221 L HA 0.151 4.491 4.340 -0.000 0.000 0.230 221 L C 1.510 178.504 176.870 0.206 0.000 1.141 221 L CA 0.488 55.430 54.840 0.170 0.000 0.877 221 L CB 0.058 42.263 42.059 0.243 0.000 1.009 221 L HN 0.116 nan 8.230 nan 0.000 0.447 222 G N 0.554 109.466 108.800 0.187 0.000 2.144 222 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 222 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 222 G C 0.469 175.500 174.900 0.219 0.000 0.988 222 G CA 0.066 45.273 45.100 0.179 0.000 0.659 222 G HN 0.381 nan 8.290 nan 0.000 0.522 223 I N -2.240 118.482 120.570 0.254 0.000 2.993 223 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 223 I C 0.585 176.854 176.117 0.253 0.000 1.215 223 I CA 0.323 61.775 61.300 0.253 0.000 1.393 223 I CB 0.513 38.687 38.000 0.290 0.000 1.371 223 I HN -0.068 nan 8.210 nan 0.000 0.602 224 D N 2.791 123.368 120.400 0.296 0.000 2.392 224 D HA 0.280 4.920 4.640 -0.000 0.000 0.206 224 D C 0.664 177.221 176.300 0.427 0.000 1.046 224 D CA 0.472 54.695 54.000 0.371 0.000 0.865 224 D CB 1.231 42.292 40.800 0.436 0.000 0.969 224 D HN 0.856 nan 8.370 nan 0.000 0.509 225 G N 0.283 109.251 108.800 0.281 0.000 2.523 225 G HA2 0.522 4.482 3.960 -0.000 0.000 0.291 225 G HA3 0.522 4.482 3.960 -0.000 0.000 0.291 225 G C -1.821 173.102 174.900 0.039 0.000 1.450 225 G CA -0.743 44.450 45.100 0.156 0.000 0.790 225 G HN -0.017 nan 8.290 nan 0.000 0.496 226 I N 0.371 120.896 120.570 -0.076 0.000 2.545 226 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 226 I C -0.239 175.562 176.117 -0.526 0.000 1.040 226 I CA -1.000 60.191 61.300 -0.181 0.000 1.068 226 I CB 2.368 40.320 38.000 -0.080 0.000 1.251 226 I HN 0.218 nan 8.210 nan 0.000 0.424 227 R N 7.143 127.253 120.500 -0.650 0.000 2.272 227 R HA 0.466 4.806 4.340 -0.000 0.000 0.323 227 R C -1.134 174.919 176.300 -0.412 0.000 1.002 227 R CA -0.682 54.763 56.100 -1.090 0.000 0.900 227 R CB 0.945 30.396 30.300 -1.416 0.000 1.151 227 R HN 0.586 nan 8.270 nan 0.000 0.507 228 M N 2.515 121.936 119.600 -0.299 0.000 2.185 228 M HA 0.123 4.603 4.480 -0.000 0.000 0.357 228 M C 0.058 176.373 176.300 0.024 0.000 1.260 228 M CA -0.382 54.898 55.300 -0.033 0.000 1.124 228 M CB 0.894 33.511 32.600 0.029 0.000 1.600 228 M HN 0.398 nan 8.290 nan 0.000 0.467 229 D N 2.138 122.594 120.400 0.093 0.000 2.210 229 D HA 0.504 5.144 4.640 -0.000 0.000 0.249 229 D C 0.286 176.664 176.300 0.130 0.000 1.062 229 D CA 0.178 54.261 54.000 0.139 0.000 0.891 229 D CB 0.906 41.816 40.800 0.184 0.000 1.186 229 D HN 0.831 nan 8.370 nan 0.000 0.432 230 A N 2.413 125.327 122.820 0.156 0.000 2.791 230 A HA -0.187 4.133 4.320 -0.000 0.000 0.292 230 A C 1.528 179.164 177.584 0.087 0.000 1.487 230 A CA 0.956 53.109 52.037 0.192 0.000 0.760 230 A CB -2.489 16.666 19.000 0.259 0.000 1.031 230 A HN 1.163 nan 8.150 nan 0.000 0.503 231 V N -1.961 117.962 119.914 0.015 0.000 2.720 231 V HA -0.161 3.959 4.120 -0.000 0.000 0.256 231 V C 1.881 177.803 176.094 -0.287 0.000 1.082 231 V CA 2.588 64.846 62.300 -0.070 0.000 1.101 231 V CB -0.599 31.201 31.823 -0.039 0.000 0.693 231 V HN 0.668 nan 8.190 nan 0.000 0.479 232 K N -0.791 119.263 120.400 -0.576 0.000 2.439 232 K HA -0.078 4.242 4.320 -0.000 0.000 0.197 232 K C 1.448 177.514 176.600 -0.890 0.000 1.041 232 K CA 0.953 56.580 56.287 -1.100 0.000 0.970 232 K CB -0.128 31.363 32.500 -1.683 0.000 0.773 232 K HN 0.721 nan 8.250 nan 0.000 0.479 233 H N -0.812 118.146 119.070 -0.187 0.000 2.594 233 H HA 0.231 4.787 4.556 -0.000 0.000 0.279 233 H C -0.021 175.223 175.328 -0.140 0.000 1.042 233 H CA 0.081 56.034 56.048 -0.159 0.000 1.177 233 H CB 0.278 29.974 29.762 -0.111 0.000 1.524 233 H HN 0.121 nan 8.280 nan 0.000 0.537 234 M N 0.830 120.403 119.600 -0.044 0.000 2.644 234 M HA 0.383 4.863 4.480 -0.000 0.000 0.304 234 M C -2.643 173.615 176.300 -0.070 0.000 1.215 234 M CA -2.039 53.234 55.300 -0.045 0.000 0.871 234 M CB 2.599 35.195 32.600 -0.006 0.000 1.740 234 M HN -0.226 nan 8.290 nan 0.000 0.464 235 P HA 0.084 nan 4.420 nan 0.000 0.271 235 P C -0.112 177.330 177.300 0.236 0.000 1.220 235 P CA -0.107 62.951 63.100 -0.070 0.000 0.768 235 P CB 0.144 31.882 31.700 0.063 0.000 0.848 236 F N 2.215 122.303 119.950 0.230 0.000 2.095 236 F HA -0.106 4.420 4.527 -0.000 0.000 0.298 236 F C 2.571 178.524 175.800 0.256 0.000 1.104 236 F CA 1.819 60.042 58.000 0.370 0.000 1.232 236 F CB -2.356 36.937 39.000 0.488 0.000 0.987 236 F HN 0.373 nan 8.300 nan 0.000 0.475 237 G N -1.314 107.675 108.800 0.316 0.000 2.422 237 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.218 237 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.218 237 G C 1.573 176.599 174.900 0.209 0.000 1.146 237 G CA 0.635 45.871 45.100 0.226 0.000 0.769 237 G HN 0.486 nan 8.290 nan 0.000 0.547 238 W N 1.328 122.706 121.300 0.130 0.000 2.355 238 W HA -0.087 4.573 4.660 -0.000 0.000 0.309 238 W C 2.837 179.438 176.519 0.137 0.000 1.206 238 W CA 1.771 59.184 57.345 0.115 0.000 1.284 238 W CB -0.141 29.356 29.460 0.063 0.000 1.145 238 W HN 0.283 nan 8.180 nan 0.000 0.502 239 Q N 0.128 120.000 119.800 0.121 0.000 2.124 239 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 239 Q C 2.217 178.188 176.000 -0.048 0.000 0.977 239 Q CA 1.829 57.633 55.803 0.000 0.000 0.850 239 Q CB -0.470 28.487 28.738 0.365 0.000 0.901 239 Q HN 0.353 nan 8.270 nan 0.000 0.429 240 K N 0.687 121.086 120.400 -0.001 0.000 2.103 240 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 240 K C 2.244 178.785 176.600 -0.099 0.000 1.052 240 K CA 1.436 57.694 56.287 -0.048 0.000 0.945 240 K CB -0.007 32.485 32.500 -0.014 0.000 0.722 240 K HN 0.182 nan 8.250 nan 0.000 0.443 241 S N -0.111 115.496 115.700 -0.155 0.000 2.423 241 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 241 S C 1.814 176.251 174.600 -0.272 0.000 1.014 241 S CA 0.485 58.576 58.200 -0.183 0.000 0.965 241 S CB -0.490 62.615 63.200 -0.158 0.000 0.785 241 S HN 0.435 nan 8.310 nan 0.000 0.495 242 F N 1.795 121.373 119.950 -0.620 0.000 2.206 242 F HA 0.159 4.686 4.527 -0.000 0.000 0.298 242 F C 2.248 177.875 175.800 -0.288 0.000 1.090 242 F CA 1.134 58.784 58.000 -0.583 0.000 1.323 242 F CB -0.210 38.242 39.000 -0.914 0.000 1.028 242 F HN 0.103 nan 8.300 nan 0.000 0.492 243 M N 0.481 120.032 119.600 -0.083 0.000 2.175 243 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 243 M C 2.513 178.721 176.300 -0.152 0.000 1.063 243 M CA 1.487 56.730 55.300 -0.095 0.000 1.119 243 M CB -1.877 30.701 32.600 -0.037 0.000 1.377 243 M HN 0.326 nan 8.290 nan 0.000 0.415 244 A N 0.055 122.790 122.820 -0.142 0.000 1.933 244 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 244 A C 2.423 179.930 177.584 -0.129 0.000 1.175 244 A CA 1.960 53.931 52.037 -0.110 0.000 0.628 244 A CB -0.827 18.122 19.000 -0.085 0.000 0.814 244 A HN 0.466 nan 8.150 nan 0.000 0.444 245 A N -0.539 122.152 122.820 -0.215 0.000 1.902 245 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 245 A C 2.243 179.698 177.584 -0.216 0.000 1.181 245 A CA 1.847 53.742 52.037 -0.237 0.000 0.623 245 A CB -0.899 17.894 19.000 -0.345 0.000 0.818 245 A HN 0.372 nan 8.150 nan 0.000 0.443 246 V N 0.929 120.656 119.914 -0.311 0.000 2.270 246 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 246 V C 2.250 178.322 176.094 -0.037 0.000 1.043 246 V CA 2.136 64.325 62.300 -0.185 0.000 1.014 246 V CB -1.004 30.670 31.823 -0.249 0.000 0.645 246 V HN 0.549 nan 8.190 nan 0.000 0.447 247 N N 0.963 119.632 118.700 -0.051 0.000 2.166 247 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 247 N C 1.404 176.926 175.510 0.020 0.000 1.019 247 N CA 1.132 54.181 53.050 -0.002 0.000 0.856 247 N CB -0.556 37.930 38.487 -0.001 0.000 0.993 247 N HN 0.446 nan 8.380 nan 0.000 0.426 248 N N -0.385 118.326 118.700 0.018 0.000 2.449 248 N HA -0.055 4.685 4.740 -0.000 0.000 0.191 248 N C 0.649 176.222 175.510 0.104 0.000 1.161 248 N CA 0.169 53.243 53.050 0.040 0.000 0.863 248 N CB 0.175 38.674 38.487 0.020 0.000 0.980 248 N HN 0.387 nan 8.380 nan 0.000 0.458 249 Y N 0.617 120.884 120.300 -0.056 0.000 2.891 249 Y HA 0.349 4.899 4.550 -0.000 0.000 0.228 249 Y C -0.364 175.518 175.900 -0.031 0.000 1.000 249 Y CA 0.480 58.550 58.100 -0.050 0.000 1.491 249 Y CB 0.635 39.050 38.460 -0.076 0.000 1.394 249 Y HN -0.317 nan 8.280 nan 0.000 0.477 250 K N 1.991 122.284 120.400 -0.178 0.000 2.803 250 K HA 0.311 4.630 4.320 -0.000 0.000 0.229 250 K C -2.919 173.662 176.600 -0.031 0.000 1.084 250 K CA -2.158 54.000 56.287 -0.216 0.000 1.063 250 K CB 1.611 33.923 32.500 -0.312 0.000 1.254 250 K HN 0.019 nan 8.250 nan 0.000 0.551 251 P HA -0.004 nan 4.420 nan 0.000 0.266 251 P C -0.577 176.775 177.300 0.086 0.000 1.195 251 P CA -0.341 62.787 63.100 0.046 0.000 0.768 251 P CB 0.888 32.627 31.700 0.066 0.000 0.838 252 V N 0.184 120.168 119.914 0.117 0.000 3.087 252 V HA 0.492 4.612 4.120 -0.000 0.000 0.306 252 V C -0.728 175.498 176.094 0.220 0.000 1.187 252 V CA -1.342 61.075 62.300 0.195 0.000 0.999 252 V CB 1.707 33.639 31.823 0.181 0.000 1.049 252 V HN 0.301 nan 8.190 nan 0.000 0.431 253 F N 2.945 122.987 119.950 0.154 0.000 2.590 253 F HA 0.543 5.070 4.527 -0.000 0.000 0.389 253 F C 0.497 176.318 175.800 0.035 0.000 1.049 253 F CA 1.005 59.063 58.000 0.098 0.000 1.199 253 F CB 0.146 39.155 39.000 0.015 0.000 1.058 253 F HN 0.796 nan 8.300 nan 0.000 0.556 254 T N 8.190 122.449 114.554 -0.491 0.000 2.861 254 T HA 0.606 4.956 4.350 -0.000 0.000 0.287 254 T C -1.152 173.302 174.700 -0.409 0.000 1.003 254 T CA -0.325 61.556 62.100 -0.363 0.000 0.977 254 T CB 1.058 69.844 68.868 -0.137 0.000 0.996 254 T HN 0.397 nan 8.240 nan 0.000 0.448 255 F N -0.365 119.309 119.950 -0.461 0.000 2.591 255 F HA 0.889 5.416 4.527 -0.000 0.000 0.309 255 F C -0.154 175.576 175.800 -0.117 0.000 1.098 255 F CA -1.339 56.475 58.000 -0.310 0.000 0.937 255 F CB 1.057 39.840 39.000 -0.362 0.000 1.250 255 F HN 0.729 nan 8.300 nan 0.000 0.447 256 G N 0.884 109.730 108.800 0.077 0.000 2.511 256 G HA2 0.510 4.470 3.960 -0.000 0.000 0.318 256 G HA3 0.510 4.470 3.960 -0.000 0.000 0.318 256 G C -1.879 173.168 174.900 0.245 0.000 1.210 256 G CA -0.985 44.172 45.100 0.096 0.000 0.969 256 G HN 0.937 nan 8.290 nan 0.000 0.484 257 E N 0.218 120.567 120.200 0.248 0.000 2.115 257 E HA 0.282 4.632 4.350 -0.000 0.000 0.282 257 E C -1.216 175.600 176.600 0.360 0.000 0.987 257 E CA -0.873 55.761 56.400 0.390 0.000 0.797 257 E CB 0.776 30.705 29.700 0.382 0.000 1.086 257 E HN 0.433 nan 8.360 nan 0.000 0.397 258 W N 8.426 129.860 121.300 0.223 0.000 2.516 258 W HA 0.255 4.915 4.660 -0.000 0.000 0.293 258 W C -1.679 174.836 176.519 -0.008 0.000 1.006 258 W CA -1.649 55.735 57.345 0.065 0.000 1.483 258 W CB 0.181 29.637 29.460 -0.007 0.000 1.316 258 W HN 0.520 nan 8.180 nan 0.000 0.411 259 F N 5.361 125.227 119.950 -0.140 0.000 2.607 259 F HA 0.257 4.784 4.527 -0.000 0.000 0.374 259 F C -0.528 175.101 175.800 -0.284 0.000 1.104 259 F CA 0.941 58.500 58.000 -0.735 0.000 1.296 259 F CB 0.614 39.267 39.000 -0.578 0.000 1.085 259 F HN 0.166 nan 8.300 nan 0.000 0.584 260 L N 5.645 126.141 121.223 -1.211 0.000 2.408 260 L HA 0.557 4.897 4.340 -0.000 0.000 0.268 260 L C 0.378 176.817 176.870 -0.719 0.000 0.986 260 L CA -0.827 53.741 54.840 -0.454 0.000 0.820 260 L CB 1.812 43.839 42.059 -0.053 0.000 1.303 260 L HN 0.781 nan 8.230 nan 0.000 0.411 261 G N 1.208 109.948 108.800 -0.100 0.000 2.537 261 G HA2 0.508 4.468 3.960 -0.000 0.000 0.297 261 G HA3 0.508 4.468 3.960 -0.000 0.000 0.297 261 G C -0.275 174.652 174.900 0.045 0.000 1.310 261 G CA -0.622 44.524 45.100 0.078 0.000 1.027 261 G HN 0.287 nan 8.290 nan 0.000 0.505 262 V N 1.748 121.712 119.914 0.082 0.000 2.617 262 V HA -0.017 4.103 4.120 -0.000 0.000 0.304 262 V C 0.982 177.108 176.094 0.054 0.000 1.040 262 V CA 0.361 62.699 62.300 0.062 0.000 1.149 262 V CB 0.533 32.392 31.823 0.060 0.000 0.914 262 V HN 0.903 nan 8.190 nan 0.000 0.487 263 N N 1.206 119.933 118.700 0.046 0.000 2.732 263 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 263 N C 0.393 175.934 175.510 0.051 0.000 1.097 263 N CA 1.578 54.654 53.050 0.044 0.000 0.812 263 N CB -0.470 38.038 38.487 0.035 0.000 1.148 263 N HN 0.998 nan 8.380 nan 0.000 0.572 264 E N 0.711 120.945 120.200 0.058 0.000 2.227 264 E HA 0.429 4.779 4.350 -0.000 0.000 0.282 264 E C -0.859 175.779 176.600 0.062 0.000 1.015 264 E CA -0.445 55.992 56.400 0.062 0.000 0.823 264 E CB 1.097 30.841 29.700 0.074 0.000 1.081 264 E HN -0.018 nan 8.360 nan 0.000 0.396 265 V N 3.785 123.727 119.914 0.047 0.000 2.482 265 V HA 0.277 4.397 4.120 -0.000 0.000 0.295 265 V C -0.620 175.438 176.094 -0.060 0.000 1.026 265 V CA -0.686 61.632 62.300 0.030 0.000 0.856 265 V CB 1.659 33.527 31.823 0.076 0.000 1.001 265 V HN 0.635 nan 8.190 nan 0.000 0.424 266 S N 6.298 121.871 115.700 -0.213 0.000 2.519 266 S HA 0.612 5.082 4.470 -0.000 0.000 0.309 266 S C -1.916 172.284 174.600 -0.667 0.000 1.100 266 S CA -1.580 56.454 58.200 -0.277 0.000 1.059 266 S CB 2.267 65.399 63.200 -0.114 0.000 1.008 266 S HN 0.489 nan 8.310 nan 0.000 0.478 267 P HA 0.015 nan 4.420 nan 0.000 0.221 267 P C 0.956 178.112 177.300 -0.240 0.000 1.150 267 P CA 0.820 63.720 63.100 -0.333 0.000 0.800 267 P CB 0.208 31.864 31.700 -0.072 0.000 0.787 268 E N -0.285 119.826 120.200 -0.149 0.000 2.072 268 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 268 E C 2.019 178.358 176.600 -0.435 0.000 0.985 268 E CA 1.121 57.494 56.400 -0.045 0.000 0.801 268 E CB -0.484 29.383 29.700 0.279 0.000 0.750 268 E HN 0.262 nan 8.360 nan 0.000 0.452 269 N N -0.116 118.073 118.700 -0.851 0.000 2.069 269 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 269 N C 1.685 176.911 175.510 -0.472 0.000 1.031 269 N CA 1.522 53.809 53.050 -1.270 0.000 0.852 269 N CB -0.031 37.721 38.487 -1.226 0.000 1.018 269 N HN 0.262 nan 8.380 nan 0.000 0.423 270 H N -0.516 118.356 119.070 -0.329 0.000 2.353 270 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 270 H C 2.065 177.303 175.328 -0.150 0.000 1.090 270 H CA 1.220 57.083 56.048 -0.309 0.000 1.327 270 H CB 0.000 29.523 29.762 -0.398 0.000 1.383 270 H HN 0.220 nan 8.280 nan 0.000 0.508 271 K N 0.662 121.060 120.400 -0.004 0.000 2.057 271 K HA -0.173 4.146 4.320 -0.000 0.000 0.207 271 K C 1.974 178.577 176.600 0.004 0.000 1.049 271 K CA 1.180 57.476 56.287 0.014 0.000 0.931 271 K CB -0.147 32.377 32.500 0.040 0.000 0.714 271 K HN 0.161 nan 8.250 nan 0.000 0.440 272 F N 1.151 120.993 119.950 -0.180 0.000 2.095 272 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 272 F C 2.014 177.772 175.800 -0.070 0.000 1.104 272 F CA 1.790 59.673 58.000 -0.196 0.000 1.232 272 F CB -0.450 38.316 39.000 -0.391 0.000 0.987 272 F HN 0.090 nan 8.300 nan 0.000 0.475 273 A N 0.094 122.979 122.820 0.108 0.000 1.972 273 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 273 A C 1.893 179.499 177.584 0.037 0.000 1.169 273 A CA 1.849 53.961 52.037 0.126 0.000 0.635 273 A CB -0.768 18.437 19.000 0.342 0.000 0.810 273 A HN 0.516 nan 8.150 nan 0.000 0.446 274 N N -0.483 118.233 118.700 0.027 0.000 2.416 274 N HA -0.015 4.725 4.740 -0.000 0.000 0.177 274 N C 1.222 176.696 175.510 -0.059 0.000 1.036 274 N CA 1.245 54.296 53.050 0.001 0.000 0.901 274 N CB -0.000 38.490 38.487 0.006 0.000 0.976 274 N HN 0.703 nan 8.380 nan 0.000 0.444 275 E N -0.976 119.154 120.200 -0.117 0.000 2.508 275 E HA 0.088 4.437 4.350 -0.000 0.000 0.217 275 E C 1.395 177.872 176.600 -0.205 0.000 0.896 275 E CA 0.039 56.361 56.400 -0.129 0.000 1.118 275 E CB 0.362 30.019 29.700 -0.072 0.000 1.133 275 E HN 0.222 nan 8.360 nan 0.000 0.526 276 S N -0.247 115.216 115.700 -0.394 0.000 2.453 276 S HA 0.043 4.513 4.470 -0.000 0.000 0.231 276 S C 1.780 176.211 174.600 -0.281 0.000 1.005 276 S CA 0.898 58.813 58.200 -0.475 0.000 0.949 276 S CB 0.172 62.670 63.200 -1.171 0.000 0.774 276 S HN 0.344 nan 8.310 nan 0.000 0.510 277 G N 1.057 109.723 108.800 -0.222 0.000 2.201 277 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 277 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 277 G C -0.058 174.777 174.900 -0.108 0.000 0.994 277 G CA 0.105 45.123 45.100 -0.138 0.000 0.644 277 G HN 0.905 nan 8.290 nan 0.000 0.508 278 M N -0.093 119.424 119.600 -0.138 0.000 2.727 278 M HA 0.862 5.342 4.480 -0.000 0.000 0.300 278 M C 0.298 176.578 176.300 -0.034 0.000 1.246 278 M CA -0.262 54.992 55.300 -0.077 0.000 0.835 278 M CB 1.939 34.532 32.600 -0.012 0.000 1.755 278 M HN 0.559 nan 8.290 nan 0.000 0.473 279 S N 0.608 116.294 115.700 -0.023 0.000 2.748 279 S HA 0.905 5.375 4.470 -0.000 0.000 0.299 279 S C -0.522 174.165 174.600 0.145 0.000 1.119 279 S CA -0.869 57.358 58.200 0.045 0.000 0.997 279 S CB 1.306 64.519 63.200 0.021 0.000 1.223 279 S HN 0.760 nan 8.310 nan 0.000 0.541 280 L N -0.354 120.947 121.223 0.131 0.000 2.359 280 L HA 0.508 4.848 4.340 -0.000 0.000 0.256 280 L C -1.086 175.906 176.870 0.204 0.000 1.026 280 L CA -1.073 53.905 54.840 0.229 0.000 0.828 280 L CB 1.673 43.874 42.059 0.237 0.000 1.406 280 L HN 0.565 nan 8.230 nan 0.000 0.413 281 L N 1.351 122.777 121.223 0.338 0.000 2.410 281 L HA 0.076 4.416 4.340 -0.000 0.000 0.273 281 L C 0.110 177.159 176.870 0.298 0.000 1.144 281 L CA 0.056 55.094 54.840 0.331 0.000 0.863 281 L CB 0.215 42.482 42.059 0.346 0.000 1.140 281 L HN 0.471 nan 8.230 nan 0.000 0.463 282 D N 3.191 123.691 120.400 0.168 0.000 2.545 282 D HA 0.007 4.647 4.640 -0.000 0.000 0.227 282 D C 0.945 177.209 176.300 -0.059 0.000 1.150 282 D CA 0.160 54.173 54.000 0.021 0.000 1.046 282 D CB 0.171 40.886 40.800 -0.142 0.000 1.098 282 D HN 0.291 nan 8.370 nan 0.000 0.502 283 F N 1.108 121.141 119.950 0.138 0.000 2.171 283 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 283 F C 2.539 178.326 175.800 -0.022 0.000 1.090 283 F CA 0.848 58.869 58.000 0.036 0.000 1.293 283 F CB -0.047 38.941 39.000 -0.020 0.000 1.013 283 F HN 0.259 nan 8.300 nan 0.000 0.486 284 R N -0.503 120.134 120.500 0.227 0.000 2.083 284 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 284 R C 2.299 178.684 176.300 0.142 0.000 1.137 284 R CA 1.839 58.051 56.100 0.186 0.000 0.951 284 R CB -0.676 29.781 30.300 0.261 0.000 0.851 284 R HN 0.292 nan 8.270 nan 0.000 0.434 285 F N 0.754 120.679 119.950 -0.042 0.000 2.051 285 F HA -0.123 4.404 4.527 -0.000 0.000 0.296 285 F C 2.198 177.908 175.800 -0.150 0.000 1.122 285 F CA 1.662 59.618 58.000 -0.073 0.000 1.201 285 F CB -0.672 38.258 39.000 -0.117 0.000 0.978 285 F HN 0.123 nan 8.300 nan 0.000 0.472 286 A N 0.357 123.119 122.820 -0.097 0.000 1.884 286 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 286 A C 2.136 179.663 177.584 -0.096 0.000 1.197 286 A CA 2.116 53.966 52.037 -0.312 0.000 0.637 286 A CB -1.060 17.326 19.000 -1.023 0.000 0.827 286 A HN 0.588 nan 8.150 nan 0.000 0.450 287 Q N -0.724 119.058 119.800 -0.029 0.000 2.135 287 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 287 Q C 2.067 178.070 176.000 0.005 0.000 0.981 287 Q CA 1.940 57.762 55.803 0.032 0.000 0.856 287 Q CB -0.379 28.394 28.738 0.057 0.000 0.902 287 Q HN 0.671 nan 8.270 nan 0.000 0.425 288 K N 0.715 121.091 120.400 -0.040 0.000 2.103 288 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 288 K C 1.987 178.528 176.600 -0.098 0.000 1.052 288 K CA 0.640 56.882 56.287 -0.076 0.000 0.945 288 K CB -0.241 32.203 32.500 -0.094 0.000 0.722 288 K HN -0.022 nan 8.250 nan 0.000 0.443 289 V N 0.971 120.809 119.914 -0.126 0.000 2.407 289 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 289 V C 2.303 178.537 176.094 0.234 0.000 1.055 289 V CA 1.956 64.259 62.300 0.005 0.000 1.049 289 V CB -0.405 31.367 31.823 -0.085 0.000 0.662 289 V HN 0.308 nan 8.190 nan 0.000 0.455 290 R N -0.566 120.044 120.500 0.183 0.000 2.075 290 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 290 R C 2.441 178.776 176.300 0.058 0.000 1.126 290 R CA 1.514 57.723 56.100 0.182 0.000 0.963 290 R CB -0.316 30.054 30.300 0.117 0.000 0.858 290 R HN 0.587 nan 8.270 nan 0.000 0.435 291 Q N -0.067 119.744 119.800 0.018 0.000 2.096 291 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 291 Q C 2.174 178.141 176.000 -0.055 0.000 0.982 291 Q CA 1.628 57.418 55.803 -0.022 0.000 0.850 291 Q CB 0.050 28.771 28.738 -0.029 0.000 0.901 291 Q HN 0.200 nan 8.270 nan 0.000 0.422 292 V N -0.445 119.416 119.914 -0.089 0.000 2.302 292 V HA -0.175 3.945 4.120 -0.000 0.000 0.243 292 V C 1.658 177.591 176.094 -0.269 0.000 1.036 292 V CA 1.656 63.807 62.300 -0.249 0.000 1.020 292 V CB -0.404 31.148 31.823 -0.453 0.000 0.657 292 V HN 0.242 nan 8.190 nan 0.000 0.453 293 F N -0.694 119.256 119.950 0.000 0.000 2.619 293 F HA 0.190 4.717 4.527 -0.000 0.000 0.293 293 F C 2.408 178.286 175.800 0.130 0.000 1.119 293 F CA 0.852 58.916 58.000 0.108 0.000 1.445 293 F CB -0.037 39.088 39.000 0.209 0.000 1.119 293 F HN -0.091 nan 8.300 nan 0.000 0.573 294 R N 0.148 120.732 120.500 0.140 0.000 2.064 294 R HA 0.028 4.368 4.340 -0.000 0.000 0.210 294 R C 1.088 177.307 176.300 -0.135 0.000 1.221 294 R CA 0.900 56.879 56.100 -0.202 0.000 1.055 294 R CB -0.026 29.864 30.300 -0.683 0.000 0.946 294 R HN 0.026 nan 8.270 nan 0.000 0.459 295 D N 0.703 121.039 120.400 -0.106 0.000 2.350 295 D HA 0.022 4.662 4.640 -0.000 0.000 0.213 295 D C -0.510 175.759 176.300 -0.051 0.000 1.031 295 D CA 0.213 54.167 54.000 -0.077 0.000 0.861 295 D CB -0.039 40.721 40.800 -0.066 0.000 0.926 295 D HN 0.263 nan 8.370 nan 0.000 0.520 296 N N 0.283 118.953 118.700 -0.050 0.000 2.705 296 N HA -0.175 4.565 4.740 -0.000 0.000 0.255 296 N C 0.253 175.737 175.510 -0.043 0.000 1.008 296 N CA 1.071 54.089 53.050 -0.053 0.000 0.742 296 N CB -1.706 36.756 38.487 -0.042 0.000 0.906 296 N HN 0.252 nan 8.380 nan 0.000 0.541 297 T N -5.117 109.411 114.554 -0.042 0.000 3.129 297 T HA 0.301 4.651 4.350 -0.000 0.000 0.267 297 T C -0.084 174.598 174.700 -0.030 0.000 1.018 297 T CA -0.217 61.865 62.100 -0.030 0.000 0.903 297 T CB 0.755 69.611 68.868 -0.021 0.000 1.067 297 T HN 0.263 nan 8.240 nan 0.000 0.549 298 D N 0.861 121.232 120.400 -0.047 0.000 2.653 298 D HA 0.369 5.009 4.640 -0.000 0.000 0.258 298 D C -1.412 174.842 176.300 -0.077 0.000 1.252 298 D CA -0.479 53.492 54.000 -0.047 0.000 0.777 298 D CB 1.790 42.563 40.800 -0.045 0.000 1.339 298 D HN 0.289 nan 8.370 nan 0.000 0.422 299 N N 0.206 118.874 118.700 -0.053 0.000 2.989 299 N HA 0.288 5.028 4.740 -0.000 0.000 0.338 299 N C 1.013 176.442 175.510 -0.134 0.000 1.369 299 N CA -0.495 52.505 53.050 -0.083 0.000 0.794 299 N CB 0.138 38.632 38.487 0.012 0.000 1.359 299 N HN 0.195 nan 8.380 nan 0.000 0.609 300 M N -0.862 118.616 119.600 -0.202 0.000 2.195 300 M HA -0.099 4.381 4.480 -0.000 0.000 0.260 300 M C 1.348 177.478 176.300 -0.284 0.000 1.066 300 M CA 1.643 56.762 55.300 -0.302 0.000 1.089 300 M CB -1.443 30.947 32.600 -0.350 0.000 1.377 300 M HN 0.521 nan 8.290 nan 0.000 0.411 301 Y N 0.037 120.299 120.300 -0.063 0.000 2.274 301 Y HA -0.083 4.467 4.550 -0.000 0.000 0.290 301 Y C 2.640 178.513 175.900 -0.045 0.000 1.145 301 Y CA 1.408 59.482 58.100 -0.044 0.000 1.203 301 Y CB -1.286 37.149 38.460 -0.042 0.000 0.984 301 Y HN 0.314 nan 8.280 nan 0.000 0.533 302 G N -0.504 108.333 108.800 0.062 0.000 2.394 302 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.215 302 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.215 302 G C 1.600 176.478 174.900 -0.038 0.000 1.165 302 G CA 0.721 45.826 45.100 0.009 0.000 0.784 302 G HN 0.295 nan 8.290 nan 0.000 0.535 303 L N 0.784 121.945 121.223 -0.103 0.000 2.046 303 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 303 L C 2.719 179.560 176.870 -0.049 0.000 1.077 303 L CA 2.207 56.968 54.840 -0.132 0.000 0.747 303 L CB -0.457 41.454 42.059 -0.246 0.000 0.896 303 L HN 0.270 nan 8.230 nan 0.000 0.432 304 K N -0.801 119.578 120.400 -0.035 0.000 2.032 304 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 304 K C 2.001 178.623 176.600 0.037 0.000 1.048 304 K CA 1.507 57.801 56.287 0.011 0.000 0.927 304 K CB -0.264 32.244 32.500 0.014 0.000 0.712 304 K HN 0.368 nan 8.250 nan 0.000 0.441 305 A N 1.790 124.635 122.820 0.042 0.000 1.908 305 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 305 A C 2.179 179.789 177.584 0.045 0.000 1.181 305 A CA 1.775 53.840 52.037 0.047 0.000 0.627 305 A CB -0.660 18.368 19.000 0.047 0.000 0.818 305 A HN 0.541 nan 8.150 nan 0.000 0.445 306 M N -0.154 119.469 119.600 0.037 0.000 2.159 306 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 306 M C 1.926 178.279 176.300 0.088 0.000 1.063 306 M CA 1.718 57.053 55.300 0.058 0.000 1.110 306 M CB -0.865 31.755 32.600 0.033 0.000 1.374 306 M HN 0.428 nan 8.290 nan 0.000 0.411 307 L N 0.377 121.648 121.223 0.079 0.000 2.017 307 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 307 L C 2.503 179.423 176.870 0.084 0.000 1.073 307 L CA 1.557 56.457 54.840 0.100 0.000 0.745 307 L CB -0.782 41.325 42.059 0.079 0.000 0.894 307 L HN 0.352 nan 8.230 nan 0.000 0.432 308 E N -0.035 120.203 120.200 0.064 0.000 2.152 308 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 308 E C 2.217 178.840 176.600 0.038 0.000 0.983 308 E CA 1.170 57.602 56.400 0.052 0.000 0.818 308 E CB -0.320 29.408 29.700 0.046 0.000 0.758 308 E HN 0.540 nan 8.360 nan 0.000 0.467 309 G N 2.358 111.180 108.800 0.037 0.000 2.414 309 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.215 309 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.215 309 G C 1.878 176.768 174.900 -0.016 0.000 1.188 309 G CA 1.408 46.513 45.100 0.008 0.000 0.783 309 G HN 0.402 nan 8.290 nan 0.000 0.537 310 S N 1.437 117.172 115.700 0.058 0.000 2.383 310 S HA 0.027 4.497 4.470 -0.000 0.000 0.229 310 S C 2.569 177.252 174.600 0.138 0.000 1.030 310 S CA 1.634 59.919 58.200 0.142 0.000 1.002 310 S CB -0.550 62.825 63.200 0.292 0.000 0.829 310 S HN 0.628 nan 8.310 nan 0.000 0.467 311 A N 1.612 124.487 122.820 0.092 0.000 2.019 311 A HA 0.368 4.688 4.320 -0.000 0.000 0.219 311 A C 2.419 180.015 177.584 0.020 0.000 1.164 311 A CA 1.585 53.665 52.037 0.071 0.000 0.644 311 A CB -1.146 17.891 19.000 0.062 0.000 0.805 311 A HN 0.878 nan 8.150 nan 0.000 0.449 312 A N -0.495 122.310 122.820 -0.024 0.000 1.984 312 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 312 A C 1.645 179.141 177.584 -0.148 0.000 1.173 312 A CA 1.321 53.320 52.037 -0.063 0.000 0.673 312 A CB -0.188 18.779 19.000 -0.054 0.000 0.830 312 A HN 0.395 nan 8.150 nan 0.000 0.453 313 D N -1.279 118.950 120.400 -0.286 0.000 2.194 313 D HA 0.017 4.657 4.640 -0.000 0.000 0.204 313 D C -0.408 175.529 176.300 -0.605 0.000 0.964 313 D CA 0.813 54.453 54.000 -0.601 0.000 0.846 313 D CB -0.118 39.921 40.800 -1.268 0.000 0.962 313 D HN 0.492 nan 8.370 nan 0.000 0.490 314 Y N 0.237 120.426 120.300 -0.185 0.000 2.341 314 Y HA 0.428 4.978 4.550 -0.000 0.000 0.340 314 Y C 1.274 177.134 175.900 -0.067 0.000 0.997 314 Y CA -0.775 57.268 58.100 -0.095 0.000 1.149 314 Y CB 1.590 40.023 38.460 -0.046 0.000 1.171 314 Y HN -0.182 nan 8.280 nan 0.000 0.494 315 A N 2.756 125.622 122.820 0.075 0.000 1.940 315 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 315 A C 0.733 178.322 177.584 0.008 0.000 1.176 315 A CA 1.336 53.380 52.037 0.011 0.000 0.631 315 A CB -0.241 18.753 19.000 -0.009 0.000 0.814 315 A HN 0.787 nan 8.150 nan 0.000 0.446 316 Q N -1.192 118.653 119.800 0.076 0.000 2.907 316 Q HA 0.422 4.762 4.340 -0.000 0.000 0.262 316 Q C 0.422 176.482 176.000 0.099 0.000 0.997 316 Q CA -0.143 55.703 55.803 0.072 0.000 0.797 316 Q CB 1.128 29.925 28.738 0.099 0.000 1.228 316 Q HN 0.106 nan 8.270 nan 0.000 0.466 317 V N 1.225 121.196 119.914 0.095 0.000 2.453 317 V HA -0.278 3.842 4.120 -0.000 0.000 0.252 317 V C 0.960 177.064 176.094 0.016 0.000 1.068 317 V CA 2.239 64.571 62.300 0.055 0.000 1.070 317 V CB 0.128 32.003 31.823 0.088 0.000 0.664 317 V HN 0.735 nan 8.190 nan 0.000 0.461 318 D N -0.490 119.963 120.400 0.089 0.000 2.378 318 D HA -0.103 4.537 4.640 -0.000 0.000 0.222 318 D C 1.161 177.546 176.300 0.143 0.000 0.980 318 D CA 0.864 54.932 54.000 0.113 0.000 0.907 318 D CB -0.037 40.895 40.800 0.221 0.000 0.899 318 D HN 0.516 nan 8.370 nan 0.000 0.527 319 D N 0.253 120.753 120.400 0.168 0.000 2.379 319 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 319 D C 0.502 176.884 176.300 0.136 0.000 1.065 319 D CA 0.186 54.346 54.000 0.268 0.000 0.848 319 D CB 0.469 41.489 40.800 0.368 0.000 0.949 319 D HN 0.063 nan 8.370 nan 0.000 0.509 320 Q N 0.653 120.425 119.800 -0.048 0.000 2.314 320 Q HA 0.205 4.545 4.340 -0.000 0.000 0.258 320 Q C -0.039 175.869 176.000 -0.153 0.000 0.954 320 Q CA -0.236 55.475 55.803 -0.154 0.000 0.890 320 Q CB 1.750 30.276 28.738 -0.353 0.000 1.210 320 Q HN -0.110 nan 8.270 nan 0.000 0.410 321 V N 3.287 123.117 119.914 -0.140 0.000 2.368 321 V HA 0.221 4.341 4.120 -0.000 0.000 0.266 321 V C 0.642 176.717 176.094 -0.032 0.000 1.045 321 V CA -0.497 61.698 62.300 -0.174 0.000 0.899 321 V CB 0.600 32.174 31.823 -0.415 0.000 1.006 321 V HN 0.877 nan 8.190 nan 0.000 0.470 322 T N 2.860 117.317 114.554 -0.161 0.000 2.918 322 T HA 0.854 5.204 4.350 -0.000 0.000 0.283 322 T C -0.618 174.164 174.700 0.136 0.000 1.001 322 T CA -0.444 61.489 62.100 -0.278 0.000 1.041 322 T CB 1.557 69.896 68.868 -0.883 0.000 1.028 322 T HN 0.725 nan 8.240 nan 0.000 0.511 323 F N -0.758 119.171 119.950 -0.035 0.000 2.842 323 F HA 0.514 5.041 4.527 -0.000 0.000 0.319 323 F C 0.017 175.893 175.800 0.127 0.000 1.159 323 F CA -1.341 56.684 58.000 0.042 0.000 0.902 323 F CB 0.668 39.681 39.000 0.023 0.000 1.311 323 F HN 0.600 nan 8.300 nan 0.000 0.453 324 I N -1.263 119.447 120.570 0.233 0.000 4.181 324 I HA 0.440 4.610 4.170 -0.000 0.000 0.331 324 I C -0.926 175.394 176.117 0.339 0.000 1.312 324 I CA 0.227 61.623 61.300 0.160 0.000 1.146 324 I CB 0.650 38.611 38.000 -0.065 0.000 1.074 324 I HN 0.692 nan 8.210 nan 0.000 0.402 325 D N 0.936 121.597 120.400 0.435 0.000 2.694 325 D HA 0.361 5.001 4.640 -0.000 0.000 0.260 325 D C -1.220 175.129 176.300 0.082 0.000 1.250 325 D CA -0.583 53.611 54.000 0.325 0.000 0.763 325 D CB 0.813 41.771 40.800 0.263 0.000 1.311 325 D HN 0.343 nan 8.370 nan 0.000 0.420 326 N N -2.402 116.125 118.700 -0.289 0.000 3.378 326 N HA 0.152 4.892 4.740 -0.000 0.000 0.294 326 N C 0.789 175.719 175.510 -0.967 0.000 1.544 326 N CA -0.447 52.102 53.050 -0.835 0.000 0.872 326 N CB -0.164 37.969 38.487 -0.589 0.000 1.670 326 N HN 0.559 nan 8.380 nan 0.000 0.551 327 H N -1.755 116.845 119.070 -0.784 0.000 2.541 327 H HA 0.045 4.601 4.556 -0.000 0.000 0.289 327 H C -0.743 174.549 175.328 -0.059 0.000 1.054 327 H CA 1.129 57.006 56.048 -0.285 0.000 1.250 327 H CB -0.295 29.579 29.762 0.186 0.000 1.369 327 H HN 0.515 nan 8.280 nan 0.000 0.578 328 D N 0.430 120.541 120.400 -0.482 0.000 2.424 328 D HA 0.276 4.916 4.640 -0.000 0.000 0.220 328 D C 0.314 176.629 176.300 0.025 0.000 1.150 328 D CA 0.071 53.971 54.000 -0.166 0.000 0.831 328 D CB 0.552 41.295 40.800 -0.095 0.000 0.981 328 D HN 0.399 nan 8.370 nan 0.000 0.500 329 M N 0.003 119.608 119.600 0.009 0.000 2.622 329 M HA 0.255 4.735 4.480 -0.000 0.000 0.276 329 M C -0.573 175.762 176.300 0.060 0.000 1.265 329 M CA -0.971 54.389 55.300 0.100 0.000 0.850 329 M CB 2.649 35.363 32.600 0.190 0.000 1.720 329 M HN -0.223 nan 8.290 nan 0.000 0.465 330 E N 1.032 121.274 120.200 0.071 0.000 2.392 330 E HA 0.343 4.693 4.350 -0.000 0.000 0.259 330 E C -0.874 175.782 176.600 0.094 0.000 1.108 330 E CA -0.700 55.736 56.400 0.059 0.000 0.916 330 E CB 0.591 30.311 29.700 0.032 0.000 0.989 330 E HN 0.420 nan 8.360 nan 0.000 0.432 331 R N 0.880 121.444 120.500 0.108 0.000 2.570 331 R HA -0.026 4.313 4.340 -0.000 0.000 0.277 331 R C 0.621 177.043 176.300 0.204 0.000 1.039 331 R CA -0.138 56.067 56.100 0.176 0.000 1.065 331 R CB 0.124 30.524 30.300 0.167 0.000 0.964 331 R HN 0.626 nan 8.270 nan 0.000 0.428 332 F N 2.181 122.209 119.950 0.131 0.000 2.091 332 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 332 F C 1.250 177.146 175.800 0.159 0.000 1.103 332 F CA 1.654 59.735 58.000 0.135 0.000 1.228 332 F CB -0.292 38.790 39.000 0.136 0.000 0.984 332 F HN 0.537 nan 8.300 nan 0.000 0.477 333 H N 0.593 119.881 119.070 0.362 0.000 2.819 333 H HA 0.501 5.057 4.556 -0.000 0.000 0.303 333 H C -0.492 174.913 175.328 0.128 0.000 1.058 333 H CA -0.482 55.728 56.048 0.271 0.000 1.471 333 H CB 0.469 30.419 29.762 0.315 0.000 1.480 333 H HN 0.250 nan 8.280 nan 0.000 0.517 334 A N 4.035 126.551 122.820 -0.507 0.000 2.301 334 A HA 0.304 4.624 4.320 -0.000 0.000 0.312 334 A C 1.557 178.809 177.584 -0.553 0.000 1.182 334 A CA 0.046 51.850 52.037 -0.389 0.000 0.826 334 A CB 0.858 19.727 19.000 -0.219 0.000 1.134 334 A HN 0.912 nan 8.150 nan 0.000 0.501 335 S N 1.372 116.908 115.700 -0.272 0.000 2.429 335 S HA -0.250 4.220 4.470 -0.000 0.000 0.251 335 S C 1.592 176.137 174.600 -0.091 0.000 1.104 335 S CA 2.397 60.513 58.200 -0.141 0.000 1.130 335 S CB -0.455 62.709 63.200 -0.059 0.000 1.000 335 S HN 0.924 nan 8.310 nan 0.000 0.449 336 N N 0.153 118.793 118.700 -0.099 0.000 2.236 336 N HA 0.290 5.030 4.740 -0.000 0.000 0.196 336 N C 0.155 175.648 175.510 -0.029 0.000 1.114 336 N CA 0.398 53.422 53.050 -0.042 0.000 0.859 336 N CB 0.106 38.568 38.487 -0.041 0.000 0.982 336 N HN 0.384 nan 8.380 nan 0.000 0.493 337 A N 1.108 123.882 122.820 -0.077 0.000 2.271 337 A HA 0.252 4.572 4.320 -0.000 0.000 0.288 337 A C 0.246 177.926 177.584 0.160 0.000 1.094 337 A CA -0.555 51.491 52.037 0.015 0.000 0.828 337 A CB 0.339 19.323 19.000 -0.027 0.000 1.091 337 A HN 0.227 nan 8.150 nan 0.000 0.493 338 N N -0.065 118.724 118.700 0.148 0.000 2.475 338 N HA 0.045 4.785 4.740 -0.000 0.000 0.267 338 N C 1.024 176.677 175.510 0.239 0.000 1.169 338 N CA 0.133 53.277 53.050 0.156 0.000 0.947 338 N CB 0.533 39.089 38.487 0.114 0.000 1.061 338 N HN 0.599 nan 8.380 nan 0.000 0.466 339 R N 2.203 122.805 120.500 0.169 0.000 2.127 339 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 339 R C 1.574 177.993 176.300 0.197 0.000 1.134 339 R CA 1.182 57.354 56.100 0.119 0.000 0.975 339 R CB -0.028 30.175 30.300 -0.162 0.000 0.865 339 R HN 0.485 nan 8.270 nan 0.000 0.447 340 R N 1.530 122.123 120.500 0.155 0.000 2.200 340 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 340 R C 1.380 177.795 176.300 0.193 0.000 1.127 340 R CA 1.517 57.708 56.100 0.151 0.000 0.989 340 R CB -0.040 30.332 30.300 0.119 0.000 0.869 340 R HN 0.134 nan 8.270 nan 0.000 0.459 341 K N 0.035 120.597 120.400 0.271 0.000 2.025 341 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 341 K C 2.066 178.875 176.600 0.348 0.000 1.049 341 K CA 1.553 58.068 56.287 0.380 0.000 0.933 341 K CB -0.427 32.350 32.500 0.462 0.000 0.714 341 K HN 0.263 nan 8.250 nan 0.000 0.438 342 L N 1.957 123.399 121.223 0.365 0.000 1.994 342 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 342 L C 2.126 178.924 176.870 -0.119 0.000 1.071 342 L CA 1.635 56.495 54.840 0.035 0.000 0.745 342 L CB -0.196 41.989 42.059 0.209 0.000 0.892 342 L HN 0.178 nan 8.230 nan 0.000 0.431 343 E N -0.526 119.687 120.200 0.022 0.000 2.070 343 E HA -0.314 4.036 4.350 -0.000 0.000 0.197 343 E C 2.191 178.746 176.600 -0.075 0.000 1.004 343 E CA 1.792 58.184 56.400 -0.013 0.000 0.805 343 E CB -0.234 29.507 29.700 0.069 0.000 0.744 343 E HN 0.645 nan 8.360 nan 0.000 0.451 344 Q N 0.260 120.022 119.800 -0.062 0.000 2.050 344 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 344 Q C 2.403 178.151 176.000 -0.421 0.000 0.980 344 Q CA 1.257 56.984 55.803 -0.126 0.000 0.840 344 Q CB -0.243 28.518 28.738 0.038 0.000 0.898 344 Q HN 0.299 nan 8.270 nan 0.000 0.424 345 A N 1.041 123.486 122.820 -0.626 0.000 1.940 345 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 345 A C 2.087 179.441 177.584 -0.383 0.000 1.176 345 A CA 1.171 52.737 52.037 -0.786 0.000 0.631 345 A CB -0.740 17.723 19.000 -0.896 0.000 0.814 345 A HN 0.290 nan 8.150 nan 0.000 0.446 346 L N -0.993 120.048 121.223 -0.304 0.000 1.994 346 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 346 L C 3.162 179.969 176.870 -0.105 0.000 1.071 346 L CA 1.187 55.920 54.840 -0.177 0.000 0.745 346 L CB -0.571 41.394 42.059 -0.156 0.000 0.892 346 L HN 0.458 nan 8.230 nan 0.000 0.431 347 A N -0.349 122.414 122.820 -0.096 0.000 1.908 347 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 347 A C 2.150 179.743 177.584 0.014 0.000 1.181 347 A CA 1.771 53.779 52.037 -0.048 0.000 0.627 347 A CB -0.905 18.071 19.000 -0.040 0.000 0.818 347 A HN 0.430 nan 8.150 nan 0.000 0.445 348 F N 1.354 121.234 119.950 -0.118 0.000 2.069 348 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 348 F C 2.516 178.359 175.800 0.072 0.000 1.113 348 F CA 2.410 60.404 58.000 -0.010 0.000 1.214 348 F CB -0.759 38.113 39.000 -0.213 0.000 0.978 348 F HN 0.214 nan 8.300 nan 0.000 0.474 349 T N 1.606 116.188 114.554 0.047 0.000 2.708 349 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 349 T C 2.132 176.766 174.700 -0.110 0.000 1.037 349 T CA 1.851 63.973 62.100 0.037 0.000 1.146 349 T CB -0.645 68.290 68.868 0.111 0.000 0.865 349 T HN 0.251 nan 8.240 nan 0.000 0.435 350 L N 1.310 122.479 121.223 -0.091 0.000 2.191 350 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 350 L C 2.623 179.420 176.870 -0.121 0.000 1.103 350 L CA 1.407 56.184 54.840 -0.107 0.000 0.769 350 L CB -0.839 41.164 42.059 -0.094 0.000 0.908 350 L HN 0.454 nan 8.230 nan 0.000 0.438 351 T N -5.920 108.566 114.554 -0.113 0.000 3.054 351 T HA 0.184 4.534 4.350 -0.000 0.000 0.255 351 T C 0.788 175.451 174.700 -0.063 0.000 1.035 351 T CA -0.285 61.771 62.100 -0.074 0.000 0.941 351 T CB 0.333 69.187 68.868 -0.024 0.000 1.026 351 T HN -0.008 nan 8.240 nan 0.000 0.533 352 S N 2.221 117.798 115.700 -0.205 0.000 2.693 352 S HA 0.584 5.054 4.470 -0.000 0.000 0.276 352 S C 0.393 174.871 174.600 -0.203 0.000 1.192 352 S CA -1.021 57.021 58.200 -0.263 0.000 0.994 352 S CB 0.835 63.773 63.200 -0.437 0.000 1.012 352 S HN 0.615 nan 8.310 nan 0.000 0.550 353 R N 0.814 121.220 120.500 -0.157 0.000 2.694 353 R HA 0.563 4.903 4.340 -0.000 0.000 0.268 353 R C 0.518 176.685 176.300 -0.220 0.000 1.061 353 R CA 0.526 56.547 56.100 -0.132 0.000 1.133 353 R CB -1.279 28.993 30.300 -0.046 0.000 1.020 353 R HN 0.919 nan 8.270 nan 0.000 0.475 354 G N -0.032 108.667 108.800 -0.169 0.000 2.384 354 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.204 354 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.204 354 G C -1.590 173.193 174.900 -0.196 0.000 1.237 354 G CA -0.370 44.612 45.100 -0.196 0.000 1.060 354 G HN 0.671 nan 8.290 nan 0.000 0.514 355 V N 2.654 122.445 119.914 -0.205 0.000 2.349 355 V HA 0.534 4.654 4.120 -0.000 0.000 0.284 355 V C -2.047 173.943 176.094 -0.173 0.000 1.014 355 V CA -1.069 61.117 62.300 -0.189 0.000 0.826 355 V CB 1.702 33.407 31.823 -0.197 0.000 1.009 355 V HN 0.661 nan 8.190 nan 0.000 0.431 356 P HA 0.417 nan 4.420 nan 0.000 0.276 356 P C -0.677 176.632 177.300 0.014 0.000 1.230 356 P CA 0.001 63.050 63.100 -0.085 0.000 0.776 356 P CB 1.381 33.025 31.700 -0.093 0.000 0.888 357 A N 4.379 127.258 122.820 0.098 0.000 2.343 357 A HA 0.706 5.026 4.320 -0.000 0.000 0.316 357 A C -0.544 177.148 177.584 0.180 0.000 1.104 357 A CA -0.818 51.337 52.037 0.197 0.000 0.768 357 A CB 0.667 19.864 19.000 0.327 0.000 1.213 357 A HN 0.470 nan 8.150 nan 0.000 0.456 358 I N 2.451 123.103 120.570 0.136 0.000 2.389 358 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 358 I C -0.943 175.147 176.117 -0.045 0.000 0.999 358 I CA -0.674 60.669 61.300 0.071 0.000 1.129 358 I CB 1.420 39.470 38.000 0.083 0.000 1.288 358 I HN 0.724 nan 8.210 nan 0.000 0.444 359 Y N 8.683 128.887 120.300 -0.159 0.000 2.496 359 Y HA 0.070 4.620 4.550 -0.000 0.000 0.334 359 Y C 0.057 175.735 175.900 -0.371 0.000 1.080 359 Y CA -0.993 56.968 58.100 -0.231 0.000 1.355 359 Y CB 0.035 38.414 38.460 -0.136 0.000 1.193 359 Y HN 0.451 nan 8.280 nan 0.000 0.523 360 Y N 4.181 123.994 120.300 -0.812 0.000 2.895 360 Y HA 0.290 4.840 4.550 -0.000 0.000 0.334 360 Y C 1.061 176.761 175.900 -0.334 0.000 1.261 360 Y CA -0.162 57.520 58.100 -0.697 0.000 1.560 360 Y CB -0.075 38.138 38.460 -0.412 0.000 1.253 360 Y HN 0.919 nan 8.280 nan 0.000 0.582 361 G N 2.197 110.948 108.800 -0.082 0.000 2.194 361 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.236 361 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.236 361 G C 0.829 175.661 174.900 -0.113 0.000 0.987 361 G CA 0.339 45.371 45.100 -0.112 0.000 0.635 361 G HN 0.836 nan 8.290 nan 0.000 0.520 362 T N 1.757 116.234 114.554 -0.128 0.000 2.684 362 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 362 T C 2.187 176.764 174.700 -0.205 0.000 1.036 362 T CA 1.957 63.990 62.100 -0.111 0.000 1.148 362 T CB -0.283 68.544 68.868 -0.068 0.000 0.863 362 T HN 0.767 nan 8.240 nan 0.000 0.436 363 E N 1.331 121.478 120.200 -0.088 0.000 2.396 363 E HA -0.186 4.164 4.350 -0.000 0.000 0.200 363 E C 1.313 177.832 176.600 -0.135 0.000 1.023 363 E CA 0.985 57.321 56.400 -0.108 0.000 0.857 363 E CB -0.221 29.544 29.700 0.109 0.000 0.775 363 E HN 0.456 nan 8.360 nan 0.000 0.525 364 Q N -0.330 119.433 119.800 -0.061 0.000 2.219 364 Q HA 0.064 4.404 4.340 -0.000 0.000 0.209 364 Q C -0.401 175.675 176.000 0.127 0.000 0.854 364 Q CA -0.332 55.511 55.803 0.066 0.000 0.960 364 Q CB -0.170 28.627 28.738 0.099 0.000 1.116 364 Q HN 0.369 nan 8.270 nan 0.000 0.500 365 Y N -0.946 119.353 120.300 -0.002 0.000 3.689 365 Y HA -0.268 4.282 4.550 -0.000 0.000 0.221 365 Y C 0.320 176.272 175.900 0.087 0.000 1.247 365 Y CA 0.121 58.187 58.100 -0.057 0.000 1.671 365 Y CB -2.584 35.750 38.460 -0.209 0.000 1.521 365 Y HN 0.199 nan 8.280 nan 0.000 0.632 366 M N 0.352 120.035 119.600 0.139 0.000 2.245 366 M HA 0.254 4.733 4.480 -0.000 0.000 0.344 366 M C 0.571 176.980 176.300 0.182 0.000 1.170 366 M CA 0.802 56.170 55.300 0.113 0.000 1.135 366 M CB 0.591 33.176 32.600 -0.026 0.000 1.574 366 M HN 0.261 nan 8.290 nan 0.000 0.452 367 S N 0.788 116.575 115.700 0.144 0.000 2.600 367 S HA 0.958 5.428 4.470 -0.000 0.000 0.300 367 S C -0.177 174.456 174.600 0.056 0.000 1.087 367 S CA -0.817 57.447 58.200 0.107 0.000 0.965 367 S CB 2.192 65.430 63.200 0.064 0.000 1.089 367 S HN 0.987 nan 8.310 nan 0.000 0.496 368 G N -0.211 108.614 108.800 0.041 0.000 2.386 368 G HA2 0.493 4.453 3.960 -0.000 0.000 0.302 368 G HA3 0.493 4.453 3.960 -0.000 0.000 0.302 368 G C -0.327 174.589 174.900 0.027 0.000 1.629 368 G CA -0.317 44.800 45.100 0.028 0.000 0.917 368 G HN 0.887 nan 8.290 nan 0.000 0.676 369 G N -0.453 108.356 108.800 0.014 0.000 2.504 369 G HA2 0.704 4.664 3.960 -0.000 0.000 0.257 369 G HA3 0.704 4.664 3.960 -0.000 0.000 0.257 369 G C 1.017 175.927 174.900 0.016 0.000 1.451 369 G CA 0.720 45.827 45.100 0.011 0.000 1.059 369 G HN 1.666 nan 8.290 nan 0.000 0.550 370 T N -1.770 112.788 114.554 0.007 0.000 2.640 370 T HA 0.188 4.538 4.350 -0.000 0.000 0.316 370 T C 0.329 175.032 174.700 0.004 0.000 1.036 370 T CA 0.173 62.274 62.100 0.003 0.000 1.009 370 T CB 0.508 69.368 68.868 -0.013 0.000 1.017 370 T HN 0.515 nan 8.240 nan 0.000 0.530 371 D N 1.607 122.009 120.400 0.004 0.000 2.586 371 D HA 0.057 4.697 4.640 -0.000 0.000 0.234 371 D C -1.322 174.990 176.300 0.020 0.000 1.132 371 D CA -1.421 52.592 54.000 0.023 0.000 0.860 371 D CB 0.583 41.398 40.800 0.025 0.000 1.159 371 D HN 0.393 nan 8.370 nan 0.000 0.490 372 P HA 0.160 nan 4.420 nan 0.000 0.266 372 P C 0.209 177.519 177.300 0.016 0.000 1.381 372 P CA -0.206 62.924 63.100 0.051 0.000 0.940 372 P CB 0.538 32.273 31.700 0.057 0.000 1.435 373 D N 1.486 121.892 120.400 0.011 0.000 2.265 373 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 373 D C 1.154 177.464 176.300 0.017 0.000 0.977 373 D CA 1.066 55.070 54.000 0.007 0.000 0.871 373 D CB -0.235 40.569 40.800 0.006 0.000 0.925 373 D HN 0.350 nan 8.370 nan 0.000 0.485 374 N N -0.021 118.698 118.700 0.032 0.000 2.398 374 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 374 N C 0.583 176.140 175.510 0.078 0.000 1.122 374 N CA 0.098 53.192 53.050 0.073 0.000 0.866 374 N CB -0.034 38.509 38.487 0.093 0.000 0.970 374 N HN -0.021 nan 8.380 nan 0.000 0.462 375 R N 0.153 120.660 120.500 0.011 0.000 2.696 375 R HA 0.449 4.789 4.340 -0.000 0.000 0.355 375 R C 0.000 176.324 176.300 0.040 0.000 1.138 375 R CA -0.228 55.854 56.100 -0.029 0.000 1.059 375 R CB 0.582 30.775 30.300 -0.180 0.000 1.380 375 R HN 0.208 nan 8.270 nan 0.000 0.578 376 A N 0.855 123.700 122.820 0.043 0.000 2.327 376 A HA 0.242 4.562 4.320 -0.000 0.000 0.255 376 A C -0.029 177.631 177.584 0.126 0.000 1.099 376 A CA -0.366 51.694 52.037 0.038 0.000 0.801 376 A CB 0.276 19.280 19.000 0.006 0.000 1.062 376 A HN 0.395 nan 8.150 nan 0.000 0.496 377 R N 0.748 121.286 120.500 0.063 0.000 2.389 377 R HA 0.267 4.607 4.340 -0.000 0.000 0.295 377 R C -0.124 176.210 176.300 0.058 0.000 1.075 377 R CA -0.324 55.819 56.100 0.073 0.000 1.005 377 R CB 0.193 30.492 30.300 -0.001 0.000 0.987 377 R HN 0.710 nan 8.270 nan 0.000 0.452 378 I N 7.821 128.451 120.570 0.100 0.000 2.742 378 I HA 0.006 4.176 4.170 -0.000 0.000 0.287 378 I C -1.384 174.589 176.117 -0.241 0.000 1.186 378 I CA -1.451 59.831 61.300 -0.028 0.000 1.417 378 I CB 1.145 39.149 38.000 0.007 0.000 1.377 378 I HN 0.705 nan 8.210 nan 0.000 0.556 379 P HA -0.016 nan 4.420 nan 0.000 0.229 379 P C -0.254 176.871 177.300 -0.293 0.000 1.160 379 P CA 0.627 63.614 63.100 -0.190 0.000 0.777 379 P CB 0.100 31.744 31.700 -0.093 0.000 0.814 380 S N -1.681 113.743 115.700 -0.460 0.000 2.597 380 S HA 0.431 4.901 4.470 -0.000 0.000 0.274 380 S C -1.430 172.762 174.600 -0.682 0.000 1.132 380 S CA -0.785 57.108 58.200 -0.512 0.000 0.835 380 S CB -0.210 62.870 63.200 -0.199 0.000 1.092 380 S HN -0.193 nan 8.310 nan 0.000 0.457 381 F N 2.001 121.814 119.950 -0.229 0.000 2.848 381 F HA 0.533 5.060 4.527 -0.000 0.000 0.321 381 F C 0.984 176.770 175.800 -0.022 0.000 1.281 381 F CA -0.504 57.261 58.000 -0.391 0.000 1.209 381 F CB 0.847 39.470 39.000 -0.628 0.000 1.152 381 F HN 0.622 nan 8.300 nan 0.000 0.521 382 S N 0.182 115.980 115.700 0.163 0.000 2.525 382 S HA 0.299 4.769 4.470 -0.000 0.000 0.278 382 S C 1.169 175.732 174.600 -0.062 0.000 1.234 382 S CA -0.074 58.166 58.200 0.067 0.000 1.058 382 S CB 0.838 64.057 63.200 0.033 0.000 0.983 382 S HN 0.497 nan 8.310 nan 0.000 0.495 383 T N 1.206 115.570 114.554 -0.318 0.000 3.105 383 T HA 0.187 4.537 4.350 -0.000 0.000 0.253 383 T C 1.053 175.488 174.700 -0.440 0.000 1.047 383 T CA 0.002 61.514 62.100 -0.980 0.000 0.944 383 T CB -0.090 68.245 68.868 -0.888 0.000 1.016 383 T HN 0.397 nan 8.240 nan 0.000 0.544 384 S N 2.160 117.764 115.700 -0.160 0.000 2.593 384 S HA 0.115 4.585 4.470 -0.000 0.000 0.217 384 S C 1.220 175.851 174.600 0.052 0.000 0.966 384 S CA 0.250 58.430 58.200 -0.034 0.000 0.914 384 S CB -0.238 62.953 63.200 -0.014 0.000 0.776 384 S HN 0.900 nan 8.310 nan 0.000 0.523 385 T N -0.572 114.048 114.554 0.108 0.000 2.849 385 T HA 0.188 4.537 4.350 -0.000 0.000 0.284 385 T C 1.366 176.200 174.700 0.222 0.000 1.004 385 T CA -0.247 61.983 62.100 0.217 0.000 1.021 385 T CB 0.886 69.955 68.868 0.335 0.000 1.013 385 T HN -0.012 nan 8.240 nan 0.000 0.527 386 T N 1.717 116.418 114.554 0.245 0.000 2.746 386 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 386 T C 2.412 177.208 174.700 0.161 0.000 1.039 386 T CA 1.367 63.580 62.100 0.190 0.000 1.142 386 T CB -0.850 68.127 68.868 0.181 0.000 0.866 386 T HN 0.814 nan 8.240 nan 0.000 0.444 387 A N 0.661 123.571 122.820 0.151 0.000 1.883 387 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 387 A C 2.088 179.668 177.584 -0.006 0.000 1.186 387 A CA 1.725 53.731 52.037 -0.052 0.000 0.624 387 A CB -1.155 17.599 19.000 -0.410 0.000 0.822 387 A HN 0.579 nan 8.150 nan 0.000 0.444 388 Y N 0.608 120.882 120.300 -0.043 0.000 2.165 388 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 388 Y C 2.578 178.454 175.900 -0.040 0.000 1.155 388 Y CA 2.439 60.516 58.100 -0.039 0.000 1.164 388 Y CB -0.327 38.131 38.460 -0.004 0.000 0.978 388 Y HN 0.459 nan 8.280 nan 0.000 0.513 389 Q N -1.125 118.797 119.800 0.204 0.000 2.119 389 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 389 Q C 2.337 178.340 176.000 0.004 0.000 0.972 389 Q CA 1.587 57.459 55.803 0.116 0.000 0.847 389 Q CB -0.231 28.579 28.738 0.120 0.000 0.903 389 Q HN 0.379 nan 8.270 nan 0.000 0.433 390 V N 1.361 121.269 119.914 -0.010 0.000 2.255 390 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 390 V C 2.173 178.214 176.094 -0.089 0.000 1.051 390 V CA 1.767 64.040 62.300 -0.045 0.000 1.018 390 V CB -0.493 31.304 31.823 -0.043 0.000 0.641 390 V HN 0.354 nan 8.190 nan 0.000 0.445 391 I N -0.156 120.337 120.570 -0.129 0.000 2.208 391 I HA -0.351 3.819 4.170 -0.000 0.000 0.245 391 I C 2.674 178.678 176.117 -0.188 0.000 1.097 391 I CA 2.122 63.320 61.300 -0.169 0.000 1.363 391 I CB -0.473 37.387 38.000 -0.233 0.000 1.051 391 I HN 0.429 nan 8.210 nan 0.000 0.413 392 Q N 1.215 120.885 119.800 -0.217 0.000 2.170 392 Q HA -0.213 4.127 4.340 -0.000 0.000 0.203 392 Q C 1.956 177.893 176.000 -0.105 0.000 0.976 392 Q CA 1.400 57.096 55.803 -0.180 0.000 0.858 392 Q CB 0.168 28.826 28.738 -0.134 0.000 0.907 392 Q HN 0.407 nan 8.270 nan 0.000 0.433 393 K N -0.217 120.133 120.400 -0.084 0.000 2.262 393 K HA 0.065 4.385 4.320 -0.000 0.000 0.200 393 K C 1.976 178.526 176.600 -0.083 0.000 1.049 393 K CA 0.408 56.654 56.287 -0.069 0.000 0.979 393 K CB 0.360 32.827 32.500 -0.056 0.000 0.773 393 K HN 0.308 nan 8.250 nan 0.000 0.474 394 L N 0.067 121.232 121.223 -0.096 0.000 2.253 394 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 394 L C 2.531 179.336 176.870 -0.109 0.000 1.078 394 L CA 0.501 55.281 54.840 -0.101 0.000 0.805 394 L CB -0.579 41.420 42.059 -0.099 0.000 0.963 394 L HN -0.022 nan 8.230 nan 0.000 0.459 395 A N 1.481 124.231 122.820 -0.116 0.000 1.884 395 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 395 A C -0.110 177.401 177.584 -0.122 0.000 1.197 395 A CA 2.203 54.168 52.037 -0.120 0.000 0.637 395 A CB -2.031 16.893 19.000 -0.126 0.000 0.827 395 A HN 0.295 nan 8.150 nan 0.000 0.450 396 P HA -0.133 nan 4.420 nan 0.000 0.219 396 P C 1.271 178.504 177.300 -0.113 0.000 1.146 396 P CA 0.923 63.958 63.100 -0.109 0.000 0.808 396 P CB -0.301 31.343 31.700 -0.092 0.000 0.779 397 L N -1.042 120.115 121.223 -0.110 0.000 2.265 397 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 397 L C 2.618 179.403 176.870 -0.142 0.000 1.117 397 L CA 1.155 55.929 54.840 -0.111 0.000 0.782 397 L CB -0.854 41.146 42.059 -0.099 0.000 0.914 397 L HN -0.067 nan 8.230 nan 0.000 0.441 398 R N 0.399 120.801 120.500 -0.162 0.000 2.152 398 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 398 R C 2.096 178.250 176.300 -0.243 0.000 1.117 398 R CA 0.911 56.883 56.100 -0.215 0.000 0.981 398 R CB -0.137 30.032 30.300 -0.219 0.000 0.870 398 R HN 0.380 nan 8.270 nan 0.000 0.451 399 K N 0.032 120.317 120.400 -0.193 0.000 2.211 399 K HA -0.010 4.310 4.320 -0.000 0.000 0.201 399 K C 2.118 178.626 176.600 -0.153 0.000 1.052 399 K CA 1.102 57.279 56.287 -0.183 0.000 0.973 399 K CB 0.215 32.624 32.500 -0.152 0.000 0.766 399 K HN 0.355 nan 8.250 nan 0.000 0.466 400 C N 0.018 119.240 119.300 -0.131 0.000 2.926 400 C HA 0.297 4.757 4.460 -0.000 0.000 0.272 400 C C 0.584 175.516 174.990 -0.097 0.000 1.249 400 C CA -0.692 58.264 59.018 -0.104 0.000 1.691 400 C CB -0.820 26.869 27.740 -0.085 0.000 1.983 400 C HN 0.128 nan 8.230 nan 0.000 0.615 401 N N 1.655 120.286 118.700 -0.115 0.000 2.623 401 N HA 0.351 5.091 4.740 -0.000 0.000 0.256 401 N C -2.074 173.357 175.510 -0.132 0.000 1.045 401 N CA -1.889 51.107 53.050 -0.090 0.000 0.863 401 N CB 1.584 40.031 38.487 -0.066 0.000 1.182 401 N HN 0.049 nan 8.380 nan 0.000 0.523 402 P HA -0.088 nan 4.420 nan 0.000 0.221 402 P C 0.992 178.195 177.300 -0.161 0.000 1.145 402 P CA 0.785 63.757 63.100 -0.214 0.000 0.795 402 P CB 0.279 31.956 31.700 -0.038 0.000 0.775 403 A N -0.381 122.456 122.820 0.029 0.000 1.940 403 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 403 A C 2.219 179.797 177.584 -0.011 0.000 1.176 403 A CA 1.472 53.569 52.037 0.100 0.000 0.631 403 A CB -1.539 17.531 19.000 0.117 0.000 0.814 403 A HN 0.163 nan 8.150 nan 0.000 0.446 404 I N -0.592 119.923 120.570 -0.092 0.000 2.286 404 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 404 I C 2.892 178.871 176.117 -0.230 0.000 1.104 404 I CA 1.020 62.243 61.300 -0.128 0.000 1.397 404 I CB -0.176 37.747 38.000 -0.127 0.000 1.072 404 I HN 0.328 nan 8.210 nan 0.000 0.417 405 A N -0.221 122.353 122.820 -0.410 0.000 1.897 405 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 405 A C 1.500 178.699 177.584 -0.640 0.000 1.181 405 A CA 1.610 53.240 52.037 -0.678 0.000 0.620 405 A CB -0.420 17.904 19.000 -1.127 0.000 0.821 405 A HN 0.506 nan 8.150 nan 0.000 0.443 406 Y N -1.199 118.927 120.300 -0.291 0.000 2.610 406 Y HA 0.371 4.921 4.550 -0.000 0.000 0.254 406 Y C 1.387 177.254 175.900 -0.054 0.000 1.110 406 Y CA -0.925 57.017 58.100 -0.262 0.000 1.238 406 Y CB -0.500 37.517 38.460 -0.737 0.000 1.322 406 Y HN 0.232 nan 8.280 nan 0.000 0.547 407 G N 0.819 109.703 108.800 0.141 0.000 2.599 407 G HA2 0.370 4.330 3.960 -0.000 0.000 0.264 407 G HA3 0.370 4.330 3.960 -0.000 0.000 0.264 407 G C 0.313 175.328 174.900 0.192 0.000 1.200 407 G CA -0.112 45.144 45.100 0.260 0.000 0.896 407 G HN 0.224 nan 8.290 nan 0.000 0.536 408 S N -1.029 114.787 115.700 0.193 0.000 2.634 408 S HA 0.594 5.064 4.470 -0.000 0.000 0.261 408 S C 0.040 174.721 174.600 0.134 0.000 1.271 408 S CA -0.346 57.940 58.200 0.144 0.000 0.985 408 S CB 1.353 64.628 63.200 0.126 0.000 0.968 408 S HN 0.583 nan 8.310 nan 0.000 0.568 409 T N 1.348 115.973 114.554 0.119 0.000 2.861 409 T HA 0.568 4.918 4.350 -0.000 0.000 0.287 409 T C -1.045 173.738 174.700 0.138 0.000 1.003 409 T CA -0.556 61.626 62.100 0.136 0.000 0.977 409 T CB 1.440 70.362 68.868 0.090 0.000 0.996 409 T HN 0.662 nan 8.240 nan 0.000 0.448 410 Q N 1.807 121.714 119.800 0.179 0.000 2.268 410 Q HA 0.210 4.550 4.340 -0.000 0.000 0.266 410 Q C -1.221 174.899 176.000 0.201 0.000 1.006 410 Q CA -0.633 55.264 55.803 0.157 0.000 0.824 410 Q CB 2.010 30.827 28.738 0.131 0.000 1.306 410 Q HN 0.662 nan 8.270 nan 0.000 0.424 411 E N 3.625 123.928 120.200 0.171 0.000 2.324 411 E HA 0.033 4.383 4.350 -0.000 0.000 0.271 411 E C -0.163 176.545 176.600 0.180 0.000 1.028 411 E CA 0.313 56.828 56.400 0.192 0.000 0.890 411 E CB 0.625 30.404 29.700 0.132 0.000 1.004 411 E HN 0.646 nan 8.360 nan 0.000 0.431 412 R N 3.480 124.116 120.500 0.227 0.000 2.316 412 R HA 0.144 4.484 4.340 -0.000 0.000 0.201 412 R C 0.157 176.643 176.300 0.310 0.000 0.888 412 R CA -0.045 56.189 56.100 0.223 0.000 1.041 412 R CB 0.696 31.118 30.300 0.204 0.000 1.115 412 R HN 0.522 nan 8.270 nan 0.000 0.559 413 W N 0.630 121.983 121.300 0.089 0.000 3.372 413 W HA 0.629 5.289 4.660 -0.000 0.000 0.315 413 W C -1.668 174.872 176.519 0.035 0.000 1.223 413 W CA -0.633 56.749 57.345 0.062 0.000 1.202 413 W CB 1.478 30.977 29.460 0.065 0.000 1.367 413 W HN -0.141 nan 8.180 nan 0.000 0.531 414 I N 5.641 126.154 120.570 -0.095 0.000 2.882 414 I HA 0.418 4.588 4.170 -0.000 0.000 0.298 414 I C -1.602 174.328 176.117 -0.312 0.000 1.462 414 I CA -0.523 60.720 61.300 -0.095 0.000 1.000 414 I CB 1.788 39.671 38.000 -0.195 0.000 1.340 414 I HN 0.684 nan 8.210 nan 0.000 0.462 415 N N 3.349 121.930 118.700 -0.198 0.000 3.439 415 N HA 0.321 5.061 4.740 -0.000 0.000 0.313 415 N C -0.598 174.815 175.510 -0.162 0.000 1.598 415 N CA -0.602 52.392 53.050 -0.093 0.000 0.830 415 N CB 0.374 38.898 38.487 0.061 0.000 1.849 415 N HN 0.606 nan 8.380 nan 0.000 0.598 416 N N -1.096 117.657 118.700 0.090 0.000 2.166 416 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 416 N C -0.260 175.222 175.510 -0.047 0.000 1.019 416 N CA 1.292 54.388 53.050 0.077 0.000 0.856 416 N CB -0.020 38.529 38.487 0.103 0.000 0.993 416 N HN 0.485 nan 8.380 nan 0.000 0.426 417 D N -0.377 120.011 120.400 -0.020 0.000 2.423 417 D HA 0.113 4.753 4.640 -0.000 0.000 0.208 417 D C -0.095 176.192 176.300 -0.021 0.000 1.068 417 D CA 0.272 54.249 54.000 -0.038 0.000 0.860 417 D CB 1.053 41.858 40.800 0.007 0.000 0.992 417 D HN -0.064 nan 8.370 nan 0.000 0.504 418 V N 1.670 121.611 119.914 0.044 0.000 2.581 418 V HA 0.485 4.605 4.120 -0.000 0.000 0.303 418 V C -0.571 175.600 176.094 0.128 0.000 1.041 418 V CA -0.882 61.488 62.300 0.116 0.000 0.907 418 V CB 2.560 34.521 31.823 0.230 0.000 0.994 418 V HN -0.051 nan 8.190 nan 0.000 0.442 419 L N 5.520 126.849 121.223 0.177 0.000 2.470 419 L HA 0.669 5.009 4.340 -0.000 0.000 0.268 419 L C -1.159 175.915 176.870 0.340 0.000 0.964 419 L CA 0.073 55.055 54.840 0.237 0.000 0.839 419 L CB 1.619 43.789 42.059 0.185 0.000 1.276 419 L HN 0.575 nan 8.230 nan 0.000 0.403 420 I N 6.193 126.979 120.570 0.359 0.000 2.382 420 I HA 0.398 4.568 4.170 -0.000 0.000 0.286 420 I C -1.138 175.178 176.117 0.332 0.000 1.002 420 I CA -0.725 60.757 61.300 0.303 0.000 1.135 420 I CB 1.116 39.298 38.000 0.303 0.000 1.288 420 I HN 0.634 nan 8.210 nan 0.000 0.448 421 Y N 3.116 123.534 120.300 0.197 0.000 2.570 421 Y HA 0.751 5.301 4.550 -0.000 0.000 0.345 421 Y C -0.741 175.240 175.900 0.134 0.000 1.014 421 Y CA -1.383 56.814 58.100 0.162 0.000 1.063 421 Y CB 1.173 39.729 38.460 0.160 0.000 1.272 421 Y HN 0.490 nan 8.280 nan 0.000 0.477 422 E N 2.277 122.617 120.200 0.234 0.000 2.199 422 E HA 0.499 4.849 4.350 -0.000 0.000 0.269 422 E C -1.136 175.578 176.600 0.190 0.000 0.899 422 E CA -1.118 55.367 56.400 0.140 0.000 0.772 422 E CB 1.043 30.814 29.700 0.118 0.000 1.155 422 E HN 0.624 nan 8.360 nan 0.000 0.408 423 R N 3.274 123.860 120.500 0.144 0.000 2.589 423 R HA 0.503 4.843 4.340 -0.000 0.000 0.293 423 R C -0.770 175.609 176.300 0.133 0.000 0.963 423 R CA -0.707 55.480 56.100 0.146 0.000 0.905 423 R CB 1.620 31.992 30.300 0.119 0.000 1.144 423 R HN 0.500 nan 8.270 nan 0.000 0.459 424 K N 1.818 122.314 120.400 0.159 0.000 2.525 424 K HA 0.475 4.795 4.320 -0.000 0.000 0.254 424 K C -1.919 174.840 176.600 0.265 0.000 0.934 424 K CA -0.592 55.799 56.287 0.173 0.000 0.802 424 K CB 1.663 34.240 32.500 0.128 0.000 1.295 424 K HN 0.455 nan 8.250 nan 0.000 0.433 425 F N 3.679 123.675 119.950 0.077 0.000 2.991 425 F HA 0.408 4.935 4.527 -0.000 0.000 0.355 425 F C 0.163 176.000 175.800 0.062 0.000 1.262 425 F CA 0.744 58.793 58.000 0.082 0.000 1.127 425 F CB 1.161 40.234 39.000 0.122 0.000 1.447 425 F HN 0.811 nan 8.300 nan 0.000 0.584 426 G N 3.349 111.938 108.800 -0.352 0.000 2.556 426 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.283 426 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.283 426 G C 0.218 175.101 174.900 -0.028 0.000 1.177 426 G CA 0.049 44.997 45.100 -0.254 0.000 0.978 426 G HN 1.021 nan 8.290 nan 0.000 0.554 427 S N 2.612 118.329 115.700 0.029 0.000 2.596 427 S HA 0.372 4.842 4.470 -0.000 0.000 0.248 427 S C 0.143 174.832 174.600 0.148 0.000 1.162 427 S CA -0.218 58.048 58.200 0.110 0.000 1.185 427 S CB -0.440 62.819 63.200 0.098 0.000 0.833 427 S HN 0.553 nan 8.310 nan 0.000 0.472 428 N N 0.957 119.751 118.700 0.157 0.000 2.249 428 N HA 0.557 5.297 4.740 -0.000 0.000 0.296 428 N C -1.307 174.312 175.510 0.182 0.000 1.051 428 N CA -0.389 52.753 53.050 0.154 0.000 0.815 428 N CB 2.477 41.042 38.487 0.130 0.000 1.487 428 N HN -0.030 nan 8.380 nan 0.000 0.475 429 V N 0.038 120.064 119.914 0.187 0.000 2.971 429 V HA 0.870 4.990 4.120 -0.000 0.000 0.309 429 V C -0.802 175.352 176.094 0.100 0.000 1.130 429 V CA -0.875 61.511 62.300 0.143 0.000 0.964 429 V CB 1.906 33.812 31.823 0.138 0.000 1.029 429 V HN 0.861 nan 8.190 nan 0.000 0.427 430 A N 2.576 125.433 122.820 0.061 0.000 2.455 430 A HA 0.916 5.236 4.320 -0.000 0.000 0.300 430 A C -1.425 176.154 177.584 -0.009 0.000 1.040 430 A CA -0.575 51.473 52.037 0.018 0.000 0.697 430 A CB 2.034 21.027 19.000 -0.011 0.000 1.265 430 A HN 0.836 nan 8.150 nan 0.000 0.407 431 V N 2.513 122.417 119.914 -0.017 0.000 2.483 431 V HA 0.540 4.660 4.120 -0.000 0.000 0.297 431 V C -0.558 175.442 176.094 -0.157 0.000 1.027 431 V CA -0.558 61.734 62.300 -0.013 0.000 0.855 431 V CB 1.602 33.520 31.823 0.158 0.000 0.995 431 V HN 0.711 nan 8.190 nan 0.000 0.424 432 V N 3.555 123.213 119.914 -0.426 0.000 2.495 432 V HA 0.859 4.979 4.120 -0.000 0.000 0.298 432 V C 0.247 176.132 176.094 -0.347 0.000 1.031 432 V CA -0.515 61.447 62.300 -0.564 0.000 0.871 432 V CB 1.837 33.160 31.823 -0.834 0.000 0.988 432 V HN 0.994 nan 8.190 nan 0.000 0.432 433 A N 4.647 127.324 122.820 -0.238 0.000 2.318 433 A HA 0.878 5.197 4.320 -0.000 0.000 0.317 433 A C -0.925 176.691 177.584 0.053 0.000 1.159 433 A CA -0.513 51.531 52.037 0.010 0.000 0.799 433 A CB 1.425 20.536 19.000 0.186 0.000 1.194 433 A HN 0.698 nan 8.150 nan 0.000 0.479 434 V N 2.711 122.729 119.914 0.172 0.000 2.588 434 V HA 0.463 4.583 4.120 -0.000 0.000 0.304 434 V C -0.582 175.616 176.094 0.173 0.000 1.042 434 V CA -0.782 61.646 62.300 0.214 0.000 0.877 434 V CB 1.945 33.994 31.823 0.376 0.000 0.996 434 V HN 0.889 nan 8.190 nan 0.000 0.425 435 N N 3.150 121.938 118.700 0.146 0.000 2.626 435 N HA 0.285 5.025 4.740 -0.000 0.000 0.249 435 N C 0.983 176.553 175.510 0.100 0.000 1.021 435 N CA -0.850 52.261 53.050 0.101 0.000 0.886 435 N CB 1.257 39.793 38.487 0.082 0.000 1.149 435 N HN 0.628 nan 8.380 nan 0.000 0.517 436 R N 1.691 122.222 120.500 0.053 0.000 2.193 436 R HA 0.022 4.361 4.340 -0.000 0.000 0.229 436 R C 0.442 176.767 176.300 0.042 0.000 1.110 436 R CA 0.601 56.723 56.100 0.038 0.000 0.988 436 R CB -0.457 29.752 30.300 -0.151 0.000 0.871 436 R HN 0.272 nan 8.270 nan 0.000 0.458 437 N N 1.415 120.134 118.700 0.031 0.000 2.416 437 N HA -0.049 4.691 4.740 -0.000 0.000 0.271 437 N C 0.066 175.606 175.510 0.050 0.000 1.245 437 N CA 0.027 53.097 53.050 0.034 0.000 0.940 437 N CB 0.687 39.193 38.487 0.031 0.000 1.175 437 N HN 0.134 nan 8.380 nan 0.000 0.483 438 L N 3.811 125.065 121.223 0.052 0.000 2.465 438 L HA 0.041 4.381 4.340 -0.000 0.000 0.224 438 L C 1.068 177.965 176.870 0.046 0.000 1.145 438 L CA 1.183 56.057 54.840 0.058 0.000 0.834 438 L CB -0.330 41.768 42.059 0.065 0.000 0.944 438 L HN 0.575 nan 8.230 nan 0.000 0.451 439 N N -1.577 117.145 118.700 0.038 0.000 2.257 439 N HA 0.318 5.058 4.740 -0.000 0.000 0.200 439 N C 0.123 175.651 175.510 0.030 0.000 1.163 439 N CA 0.320 53.389 53.050 0.032 0.000 0.891 439 N CB 0.795 39.298 38.487 0.026 0.000 1.067 439 N HN 0.144 nan 8.380 nan 0.000 0.497 440 A N 1.360 124.200 122.820 0.032 0.000 2.356 440 A HA 0.606 4.926 4.320 -0.000 0.000 0.310 440 A C -2.670 174.934 177.584 0.033 0.000 1.075 440 A CA -1.508 50.547 52.037 0.031 0.000 0.746 440 A CB 1.249 20.267 19.000 0.030 0.000 1.221 440 A HN -0.146 nan 8.150 nan 0.000 0.443 441 P HA 0.532 nan 4.420 nan 0.000 0.276 441 P C -0.452 176.855 177.300 0.011 0.000 1.252 441 P CA -0.176 62.938 63.100 0.024 0.000 0.802 441 P CB 1.271 32.984 31.700 0.021 0.000 1.035 442 A N 0.474 123.284 122.820 -0.017 0.000 2.401 442 A HA 0.562 4.882 4.320 -0.000 0.000 0.310 442 A C -0.404 177.094 177.584 -0.143 0.000 1.075 442 A CA -0.537 51.471 52.037 -0.048 0.000 0.746 442 A CB 0.996 19.967 19.000 -0.049 0.000 1.277 442 A HN 0.330 nan 8.150 nan 0.000 0.425 443 S N 1.271 116.896 115.700 -0.124 0.000 2.415 443 S HA 0.415 4.885 4.470 -0.000 0.000 0.313 443 S C -0.404 173.997 174.600 -0.332 0.000 1.067 443 S CA -0.142 57.948 58.200 -0.184 0.000 1.099 443 S CB -0.596 62.567 63.200 -0.062 0.000 0.991 443 S HN 0.454 nan 8.310 nan 0.000 0.491 444 I N 4.628 124.786 120.570 -0.686 0.000 2.291 444 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 444 I C 0.157 175.891 176.117 -0.638 0.000 1.064 444 I CA 0.157 60.822 61.300 -1.059 0.000 1.269 444 I CB 0.643 37.606 38.000 -1.727 0.000 1.418 444 I HN 0.499 nan 8.210 nan 0.000 0.485 445 S N 3.314 118.889 115.700 -0.208 0.000 2.536 445 S HA 0.802 5.272 4.470 -0.000 0.000 0.287 445 S C 0.450 175.195 174.600 0.243 0.000 1.101 445 S CA -0.226 57.977 58.200 0.005 0.000 0.950 445 S CB 1.956 65.180 63.200 0.040 0.000 1.056 445 S HN 1.021 nan 8.310 nan 0.000 0.481 446 G N 0.121 109.023 108.800 0.169 0.000 2.141 446 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 446 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 446 G C -0.235 174.822 174.900 0.261 0.000 0.982 446 G CA 0.022 45.248 45.100 0.211 0.000 0.662 446 G HN 1.150 nan 8.290 nan 0.000 0.527 447 L N 1.439 122.792 121.223 0.216 0.000 2.418 447 L HA 0.629 4.969 4.340 -0.000 0.000 0.274 447 L C 0.210 177.157 176.870 0.129 0.000 1.135 447 L CA -0.243 54.724 54.840 0.212 0.000 0.870 447 L CB 1.248 43.370 42.059 0.105 0.000 1.154 447 L HN 0.106 nan 8.230 nan 0.000 0.462 448 V N 4.843 124.834 119.914 0.129 0.000 2.604 448 V HA 0.762 4.882 4.120 -0.000 0.000 0.305 448 V C 0.239 176.366 176.094 0.056 0.000 1.043 448 V CA 0.050 62.392 62.300 0.071 0.000 0.888 448 V CB 1.869 33.733 31.823 0.068 0.000 0.995 448 V HN 1.000 nan 8.190 nan 0.000 0.429 449 T N 0.245 114.806 114.554 0.012 0.000 2.716 449 T HA 0.377 4.727 4.350 -0.000 0.000 0.286 449 T C 0.374 175.061 174.700 -0.021 0.000 1.052 449 T CA -0.333 61.765 62.100 -0.003 0.000 1.024 449 T CB 1.900 70.737 68.868 -0.052 0.000 1.349 449 T HN 0.299 nan 8.240 nan 0.000 0.525 450 S N -0.058 115.627 115.700 -0.024 0.000 2.577 450 S HA 0.338 4.808 4.470 -0.000 0.000 0.219 450 S C 0.561 175.112 174.600 -0.082 0.000 0.962 450 S CA -0.482 57.701 58.200 -0.029 0.000 0.921 450 S CB -0.671 62.532 63.200 0.006 0.000 0.789 450 S HN 0.449 nan 8.310 nan 0.000 0.497 451 L N 2.996 124.138 121.223 -0.135 0.000 2.439 451 L HA 0.273 4.613 4.340 -0.000 0.000 0.269 451 L C -2.226 174.540 176.870 -0.173 0.000 1.179 451 L CA -1.967 52.739 54.840 -0.222 0.000 0.828 451 L CB 0.152 41.946 42.059 -0.442 0.000 1.106 451 L HN -0.020 nan 8.230 nan 0.000 0.467 452 P HA 0.027 nan 4.420 nan 0.000 0.274 452 P C -1.028 176.270 177.300 -0.004 0.000 1.231 452 P CA -0.575 62.413 63.100 -0.186 0.000 0.790 452 P CB 0.455 31.930 31.700 -0.375 0.000 0.951 453 Q N 0.721 120.506 119.800 -0.025 0.000 2.283 453 Q HA 0.350 4.690 4.340 -0.000 0.000 0.301 453 Q C 0.246 176.236 176.000 -0.017 0.000 1.063 453 Q CA 1.063 56.864 55.803 -0.003 0.000 0.952 453 Q CB -0.427 28.295 28.738 -0.026 0.000 1.166 453 Q HN 0.779 nan 8.270 nan 0.000 0.381 454 G N 1.725 110.513 108.800 -0.020 0.000 2.356 454 G HA2 0.119 4.079 3.960 -0.000 0.000 0.288 454 G HA3 0.119 4.079 3.960 -0.000 0.000 0.288 454 G C -1.601 173.185 174.900 -0.189 0.000 1.302 454 G CA -0.497 44.512 45.100 -0.152 0.000 0.887 454 G HN 0.527 nan 8.290 nan 0.000 0.521 455 S N -0.834 114.664 115.700 -0.336 0.000 2.501 455 S HA 0.796 5.265 4.470 -0.000 0.000 0.301 455 S C -1.537 172.812 174.600 -0.418 0.000 1.096 455 S CA -0.390 57.665 58.200 -0.243 0.000 1.063 455 S CB 0.809 63.919 63.200 -0.149 0.000 1.042 455 S HN 0.470 nan 8.310 nan 0.000 0.494 456 Y N 2.415 122.646 120.300 -0.115 0.000 2.350 456 Y HA 0.443 4.992 4.550 -0.000 0.000 0.338 456 Y C 0.318 176.277 175.900 0.098 0.000 0.961 456 Y CA -1.141 56.951 58.100 -0.013 0.000 1.100 456 Y CB 1.102 39.549 38.460 -0.023 0.000 1.179 456 Y HN 0.520 nan 8.280 nan 0.000 0.454 457 N N 1.521 120.376 118.700 0.257 0.000 2.530 457 N HA 0.063 4.803 4.740 -0.000 0.000 0.277 457 N C -0.836 174.861 175.510 0.311 0.000 1.168 457 N CA -0.540 52.647 53.050 0.229 0.000 0.979 457 N CB 0.682 39.233 38.487 0.107 0.000 1.141 457 N HN 0.641 nan 8.380 nan 0.000 0.459 458 D N 0.687 121.213 120.400 0.210 0.000 2.401 458 D HA 0.000 4.640 4.640 -0.000 0.000 0.254 458 D C 0.947 177.221 176.300 -0.045 0.000 1.192 458 D CA -0.135 53.858 54.000 -0.010 0.000 0.885 458 D CB 0.657 41.421 40.800 -0.060 0.000 1.147 458 D HN 0.156 nan 8.370 nan 0.000 0.478 459 V N 4.370 124.223 119.914 -0.102 0.000 2.568 459 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 459 V C 2.180 178.230 176.094 -0.074 0.000 1.072 459 V CA 1.299 63.559 62.300 -0.067 0.000 1.084 459 V CB -0.507 31.265 31.823 -0.084 0.000 0.676 459 V HN 0.663 nan 8.190 nan 0.000 0.469 460 L N 0.277 121.436 121.223 -0.107 0.000 2.599 460 L HA 0.199 4.539 4.340 -0.000 0.000 0.230 460 L C 1.820 178.665 176.870 -0.042 0.000 1.141 460 L CA 0.778 55.571 54.840 -0.078 0.000 0.877 460 L CB -0.627 41.374 42.059 -0.097 0.000 1.009 460 L HN 0.534 nan 8.230 nan 0.000 0.447 461 G N 0.010 108.792 108.800 -0.031 0.000 2.203 461 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 461 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 461 G C 0.999 175.899 174.900 0.000 0.000 1.012 461 G CA 0.366 45.463 45.100 -0.006 0.000 0.749 461 G HN 0.689 nan 8.290 nan 0.000 0.512 462 G N -1.775 107.020 108.800 -0.008 0.000 2.175 462 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.244 462 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.244 462 G C 1.186 176.090 174.900 0.006 0.000 0.982 462 G CA 0.998 46.101 45.100 0.005 0.000 0.641 462 G HN 1.509 nan 8.290 nan 0.000 0.527 463 L N 0.196 121.419 121.223 -0.001 0.000 2.051 463 L HA 0.098 4.438 4.340 -0.000 0.000 0.214 463 L C 1.926 178.805 176.870 0.014 0.000 1.076 463 L CA 2.514 57.358 54.840 0.008 0.000 0.758 463 L CB -0.129 41.932 42.059 0.004 0.000 0.890 463 L HN 0.445 nan 8.230 nan 0.000 0.433 464 L N -0.472 120.753 121.223 0.002 0.000 3.108 464 L HA 0.297 4.637 4.340 -0.000 0.000 0.251 464 L C 0.126 177.007 176.870 0.018 0.000 1.315 464 L CA -0.274 54.575 54.840 0.014 0.000 1.048 464 L CB -0.560 41.506 42.059 0.011 0.000 1.432 464 L HN 0.260 nan 8.230 nan 0.000 0.543 465 N N -0.110 118.603 118.700 0.021 0.000 2.754 465 N HA -0.166 4.574 4.740 -0.000 0.000 0.248 465 N C 0.576 176.108 175.510 0.037 0.000 1.093 465 N CA 0.786 53.856 53.050 0.034 0.000 0.699 465 N CB -0.964 37.551 38.487 0.045 0.000 1.016 465 N HN 0.642 nan 8.380 nan 0.000 0.552 466 G N -0.201 108.604 108.800 0.008 0.000 2.580 466 G HA2 0.530 4.490 3.960 -0.000 0.000 0.278 466 G HA3 0.530 4.490 3.960 -0.000 0.000 0.278 466 G C 0.206 175.144 174.900 0.063 0.000 1.212 466 G CA -0.212 44.887 45.100 -0.002 0.000 0.939 466 G HN 0.409 nan 8.290 nan 0.000 0.513 467 N N -1.723 117.061 118.700 0.139 0.000 3.102 467 N HA 0.352 5.092 4.740 -0.000 0.000 0.299 467 N C -0.954 174.719 175.510 0.271 0.000 1.482 467 N CA -0.587 52.556 53.050 0.155 0.000 0.785 467 N CB 1.042 39.606 38.487 0.128 0.000 1.680 467 N HN 0.338 nan 8.380 nan 0.000 0.594 468 T N 0.710 115.342 114.554 0.131 0.000 2.913 468 T HA 0.438 4.788 4.350 -0.000 0.000 0.287 468 T C -0.223 174.337 174.700 -0.233 0.000 1.008 468 T CA -0.332 61.815 62.100 0.080 0.000 1.067 468 T CB 0.662 69.536 68.868 0.010 0.000 0.996 468 T HN 0.364 nan 8.240 nan 0.000 0.513 469 L N 1.652 122.589 121.223 -0.477 0.000 2.346 469 L HA 0.646 4.986 4.340 -0.000 0.000 0.274 469 L C -0.466 176.184 176.870 -0.368 0.000 1.007 469 L CA -0.086 54.255 54.840 -0.831 0.000 0.818 469 L CB 2.222 43.187 42.059 -1.824 0.000 1.284 469 L HN 0.537 nan 8.230 nan 0.000 0.424 470 S N 2.844 118.361 115.700 -0.305 0.000 2.640 470 S HA 0.625 5.094 4.470 -0.000 0.000 0.320 470 S C -1.039 173.500 174.600 -0.103 0.000 1.097 470 S CA -0.478 57.642 58.200 -0.134 0.000 1.092 470 S CB 1.242 64.385 63.200 -0.095 0.000 0.988 470 S HN 0.360 nan 8.310 nan 0.000 0.470 471 V N 3.726 123.620 119.914 -0.033 0.000 2.370 471 V HA 0.686 4.805 4.120 -0.000 0.000 0.283 471 V C 0.978 177.067 176.094 -0.009 0.000 1.023 471 V CA -0.432 61.855 62.300 -0.022 0.000 0.857 471 V CB 1.301 33.127 31.823 0.005 0.000 0.985 471 V HN 0.861 nan 8.190 nan 0.000 0.443 472 G N 3.090 111.879 108.800 -0.018 0.000 2.641 472 G HA2 0.496 4.456 3.960 -0.000 0.000 0.239 472 G HA3 0.496 4.456 3.960 -0.000 0.000 0.239 472 G C 0.202 175.094 174.900 -0.014 0.000 1.402 472 G CA -0.113 44.978 45.100 -0.014 0.000 1.046 472 G HN 0.845 nan 8.290 nan 0.000 0.565 473 S N -1.538 114.155 115.700 -0.012 0.000 2.572 473 S HA 0.416 4.886 4.470 -0.000 0.000 0.279 473 S C 1.306 175.901 174.600 -0.010 0.000 1.341 473 S CA 0.636 58.829 58.200 -0.012 0.000 1.043 473 S CB 0.914 64.108 63.200 -0.009 0.000 0.887 473 S HN 2.394 nan 8.310 nan 0.000 0.516 474 G N 1.404 110.196 108.800 -0.012 0.000 2.168 474 G HA2 0.070 4.030 3.960 -0.000 0.000 0.263 474 G HA3 0.070 4.030 3.960 -0.000 0.000 0.263 474 G C 1.176 176.069 174.900 -0.011 0.000 0.977 474 G CA 0.499 45.594 45.100 -0.008 0.000 0.659 474 G HN 2.436 nan 8.290 nan 0.000 0.533 475 G N -1.285 107.501 108.800 -0.022 0.000 2.155 475 G HA2 0.156 4.116 3.960 -0.000 0.000 0.257 475 G HA3 0.156 4.116 3.960 -0.000 0.000 0.257 475 G C 0.720 175.606 174.900 -0.024 0.000 0.983 475 G CA 1.245 46.325 45.100 -0.033 0.000 0.676 475 G HN 2.340 nan 8.290 nan 0.000 0.528 476 A N -0.022 122.793 122.820 -0.009 0.000 2.362 476 A HA 0.832 5.152 4.320 -0.000 0.000 0.276 476 A C 0.814 178.393 177.584 -0.008 0.000 1.153 476 A CA 0.862 52.902 52.037 0.005 0.000 0.813 476 A CB 0.594 19.604 19.000 0.016 0.000 1.081 476 A HN 2.027 nan 8.150 nan 0.000 0.507 477 A N 2.919 125.736 122.820 -0.006 0.000 2.354 477 A HA 0.596 4.916 4.320 -0.000 0.000 0.269 477 A C 0.889 178.490 177.584 0.027 0.000 1.109 477 A CA 0.176 52.198 52.037 -0.024 0.000 0.800 477 A CB 0.041 19.020 19.000 -0.036 0.000 1.045 477 A HN 1.706 nan 8.150 nan 0.000 0.489 478 S N 2.274 117.986 115.700 0.020 0.000 2.632 478 S HA 0.244 4.714 4.470 -0.000 0.000 0.267 478 S C 0.067 174.739 174.600 0.121 0.000 1.276 478 S CA -0.690 57.538 58.200 0.047 0.000 0.998 478 S CB 0.020 63.233 63.200 0.023 0.000 0.953 478 S HN 0.739 nan 8.310 nan 0.000 0.547 479 N N 0.758 119.500 118.700 0.070 0.000 2.345 479 N HA 0.393 5.133 4.740 -0.000 0.000 0.243 479 N C -0.556 175.037 175.510 0.138 0.000 1.246 479 N CA 0.385 53.453 53.050 0.030 0.000 0.863 479 N CB -0.027 38.452 38.487 -0.013 0.000 1.096 479 N HN 0.664 nan 8.380 nan 0.000 0.446 480 F N -2.433 117.461 119.950 -0.094 0.000 2.713 480 F HA 0.490 5.017 4.527 -0.000 0.000 0.311 480 F C -1.213 174.540 175.800 -0.079 0.000 1.141 480 F CA -1.121 56.833 58.000 -0.078 0.000 0.939 480 F CB 1.012 39.962 39.000 -0.084 0.000 1.325 480 F HN 0.091 nan 8.300 nan 0.000 0.453 481 T N 3.064 117.675 114.554 0.096 0.000 2.771 481 T HA 0.550 4.900 4.350 -0.000 0.000 0.281 481 T C -1.248 173.553 174.700 0.167 0.000 0.982 481 T CA -0.337 61.764 62.100 0.002 0.000 0.978 481 T CB 1.325 70.212 68.868 0.031 0.000 0.930 481 T HN 0.709 nan 8.240 nan 0.000 0.447 482 L N 4.412 125.659 121.223 0.040 0.000 2.264 482 L HA 0.688 5.028 4.340 -0.000 0.000 0.287 482 L C 0.499 177.417 176.870 0.081 0.000 1.039 482 L CA -0.495 54.428 54.840 0.140 0.000 0.829 482 L CB -0.226 41.882 42.059 0.083 0.000 1.211 482 L HN 0.792 nan 8.230 nan 0.000 0.427 483 A N 4.359 127.239 122.820 0.100 0.000 2.547 483 A HA 0.472 4.792 4.320 -0.000 0.000 0.233 483 A C 0.660 178.282 177.584 0.063 0.000 1.067 483 A CA 0.303 52.383 52.037 0.072 0.000 0.763 483 A CB -0.155 18.889 19.000 0.072 0.000 1.007 483 A HN 1.157 nan 8.150 nan 0.000 0.506 484 A N 0.656 123.508 122.820 0.053 0.000 2.520 484 A HA 0.486 4.806 4.320 -0.000 0.000 0.245 484 A C 1.677 179.299 177.584 0.063 0.000 1.072 484 A CA 0.751 52.821 52.037 0.053 0.000 0.761 484 A CB -0.911 18.117 19.000 0.046 0.000 1.004 484 A HN 2.791 nan 8.150 nan 0.000 0.499 485 G N 1.830 110.675 108.800 0.075 0.000 2.168 485 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.263 485 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.263 485 G C 0.864 175.817 174.900 0.088 0.000 0.977 485 G CA 0.692 45.846 45.100 0.090 0.000 0.659 485 G HN 1.981 nan 8.290 nan 0.000 0.533 486 G N -0.457 108.392 108.800 0.082 0.000 2.398 486 G HA2 0.540 4.500 3.960 -0.000 0.000 0.246 486 G HA3 0.540 4.500 3.960 -0.000 0.000 0.246 486 G C -0.084 174.857 174.900 0.068 0.000 1.289 486 G CA 0.939 46.083 45.100 0.074 0.000 0.869 486 G HN 0.759 nan 8.290 nan 0.000 0.543 487 T N 0.547 115.115 114.554 0.023 0.000 3.011 487 T HA 0.643 4.993 4.350 -0.000 0.000 0.303 487 T C -0.269 174.344 174.700 -0.144 0.000 0.997 487 T CA -0.078 62.006 62.100 -0.027 0.000 1.007 487 T CB 1.655 70.525 68.868 0.002 0.000 1.017 487 T HN 1.046 nan 8.240 nan 0.000 0.443 488 A N 2.565 125.198 122.820 -0.311 0.000 2.475 488 A HA 0.913 5.232 4.320 -0.000 0.000 0.301 488 A C -1.162 175.861 177.584 -0.934 0.000 1.059 488 A CA -0.738 50.907 52.037 -0.654 0.000 0.710 488 A CB 1.598 20.084 19.000 -0.857 0.000 1.288 488 A HN 0.659 nan 8.150 nan 0.000 0.408 489 V N 2.266 121.618 119.914 -0.937 0.000 2.577 489 V HA 0.556 4.676 4.120 -0.000 0.000 0.303 489 V C -1.110 174.565 176.094 -0.699 0.000 1.042 489 V CA -0.516 61.359 62.300 -0.708 0.000 0.872 489 V CB 1.394 33.005 31.823 -0.352 0.000 0.998 489 V HN 0.844 nan 8.190 nan 0.000 0.423 490 W N 3.818 125.057 121.300 -0.101 0.000 2.761 490 W HA 0.768 5.428 4.660 -0.000 0.000 0.340 490 W C -0.246 176.218 176.519 -0.092 0.000 1.072 490 W CA -0.600 56.694 57.345 -0.086 0.000 1.215 490 W CB 2.155 31.506 29.460 -0.180 0.000 1.420 490 W HN 0.730 nan 8.180 nan 0.000 0.519 491 Q N 1.187 121.117 119.800 0.217 0.000 2.534 491 Q HA 0.654 4.994 4.340 -0.000 0.000 0.290 491 Q C -2.366 173.820 176.000 0.310 0.000 0.991 491 Q CA -1.024 54.875 55.803 0.160 0.000 0.783 491 Q CB 3.478 32.271 28.738 0.091 0.000 1.470 491 Q HN 0.419 nan 8.270 nan 0.000 0.406 492 Y N 0.647 121.010 120.300 0.105 0.000 2.399 492 Y HA 0.557 5.107 4.550 -0.000 0.000 0.327 492 Y C -1.803 174.149 175.900 0.087 0.000 1.111 492 Y CA -0.055 58.134 58.100 0.148 0.000 1.047 492 Y CB 2.333 40.908 38.460 0.192 0.000 1.259 492 Y HN 0.937 nan 8.280 nan 0.000 0.434 493 T N 2.559 116.757 114.554 -0.593 0.000 2.893 493 T HA 1.009 5.359 4.350 -0.000 0.000 0.291 493 T C -0.789 173.509 174.700 -0.670 0.000 1.028 493 T CA -0.346 61.474 62.100 -0.468 0.000 0.995 493 T CB 1.830 70.577 68.868 -0.203 0.000 1.051 493 T HN 1.308 nan 8.240 nan 0.000 0.470 494 A N 1.118 123.722 122.820 -0.360 0.000 2.601 494 A HA 0.900 5.220 4.320 -0.000 0.000 0.291 494 A C -0.285 177.249 177.584 -0.082 0.000 1.075 494 A CA -0.734 51.170 52.037 -0.223 0.000 0.671 494 A CB 0.623 19.523 19.000 -0.166 0.000 1.277 494 A HN 1.726 nan 8.150 nan 0.000 0.417 495 A N 0.485 123.277 122.820 -0.045 0.000 2.511 495 A HA 0.544 4.864 4.320 -0.000 0.000 0.242 495 A C 0.439 178.019 177.584 -0.007 0.000 1.069 495 A CA 0.746 52.770 52.037 -0.021 0.000 0.763 495 A CB -0.443 18.550 19.000 -0.012 0.000 1.001 495 A HN 0.975 nan 8.150 nan 0.000 0.498 496 T N 2.193 116.739 114.554 -0.014 0.000 2.799 496 T HA 0.478 4.828 4.350 -0.000 0.000 0.286 496 T C 1.217 175.903 174.700 -0.022 0.000 0.973 496 T CA 0.291 62.375 62.100 -0.027 0.000 1.035 496 T CB 1.603 70.434 68.868 -0.062 0.000 0.932 496 T HN 0.860 nan 8.240 nan 0.000 0.469 497 A N 2.927 125.740 122.820 -0.012 0.000 2.044 497 A HA 0.225 4.545 4.320 -0.000 0.000 0.213 497 A C 1.444 179.036 177.584 0.014 0.000 1.169 497 A CA 0.265 52.306 52.037 0.006 0.000 0.724 497 A CB -0.148 18.860 19.000 0.014 0.000 0.840 497 A HN 0.755 nan 8.150 nan 0.000 0.463 498 T N -1.352 113.198 114.554 -0.006 0.000 2.902 498 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 498 T C -3.174 171.531 174.700 0.009 0.000 1.009 498 T CA -2.502 59.606 62.100 0.013 0.000 1.051 498 T CB 1.473 70.344 68.868 0.005 0.000 0.999 498 T HN -0.034 nan 8.240 nan 0.000 0.474 499 P HA 0.296 nan 4.420 nan 0.000 0.267 499 P C -0.680 176.670 177.300 0.083 0.000 1.205 499 P CA -0.108 63.093 63.100 0.169 0.000 0.765 499 P CB 0.279 32.199 31.700 0.365 0.000 0.828 500 T N 4.318 118.860 114.554 -0.019 0.000 2.949 500 T HA 0.436 4.786 4.350 -0.000 0.000 0.300 500 T C 0.228 174.979 174.700 0.085 0.000 0.988 500 T CA -0.389 61.667 62.100 -0.072 0.000 0.993 500 T CB 0.449 69.076 68.868 -0.403 0.000 0.984 500 T HN 0.191 nan 8.240 nan 0.000 0.442 501 I N 2.728 123.426 120.570 0.212 0.000 2.396 501 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 501 I C 1.431 177.689 176.117 0.236 0.000 1.056 501 I CA 0.050 61.497 61.300 0.244 0.000 1.365 501 I CB 1.134 39.230 38.000 0.160 0.000 1.407 501 I HN 0.889 nan 8.210 nan 0.000 0.509 502 G N 5.206 113.986 108.800 -0.033 0.000 2.608 502 G HA2 0.012 3.972 3.960 -0.000 0.000 0.210 502 G HA3 0.012 3.972 3.960 -0.000 0.000 0.210 502 G C 0.429 175.106 174.900 -0.372 0.000 1.139 502 G CA 0.340 45.152 45.100 -0.481 0.000 0.812 502 G HN 0.621 nan 8.290 nan 0.000 0.529 503 H N -1.412 117.358 119.070 -0.501 0.000 3.042 503 H HA 0.537 5.093 4.556 -0.000 0.000 0.346 503 H C -2.071 172.939 175.328 -0.530 0.000 1.294 503 H CA -0.312 55.517 56.048 -0.364 0.000 1.141 503 H CB 2.178 31.852 29.762 -0.147 0.000 1.872 503 H HN -0.085 nan 8.280 nan 0.000 0.541 504 V N 1.342 120.726 119.914 -0.883 0.000 2.808 504 V HA 0.689 4.808 4.120 -0.000 0.000 0.308 504 V C -0.068 175.890 176.094 -0.228 0.000 1.099 504 V CA -0.171 61.819 62.300 -0.517 0.000 0.920 504 V CB 1.917 33.325 31.823 -0.693 0.000 1.014 504 V HN 0.945 nan 8.190 nan 0.000 0.425 505 G N 3.882 112.721 108.800 0.066 0.000 2.732 505 G HA2 0.722 4.681 3.960 -0.000 0.000 0.296 505 G HA3 0.722 4.681 3.960 -0.000 0.000 0.296 505 G C -3.435 171.586 174.900 0.202 0.000 1.448 505 G CA -1.035 44.192 45.100 0.210 0.000 0.911 505 G HN 0.482 nan 8.290 nan 0.000 0.528 506 P HA 0.253 nan 4.420 nan 0.000 0.275 506 P C 0.425 177.892 177.300 0.277 0.000 1.266 506 P CA -0.416 62.813 63.100 0.215 0.000 0.793 506 P CB 1.009 32.799 31.700 0.151 0.000 1.074 507 M N -0.795 118.882 119.600 0.128 0.000 2.428 507 M HA 0.268 4.748 4.480 -0.000 0.000 0.239 507 M C 0.560 176.556 176.300 -0.507 0.000 1.121 507 M CA 0.459 55.759 55.300 -0.000 0.000 1.019 507 M CB -0.716 31.894 32.600 0.017 0.000 1.485 507 M HN 0.438 nan 8.290 nan 0.000 0.484 508 M N 0.515 119.914 119.600 -0.336 0.000 2.284 508 M HA 0.613 5.093 4.480 -0.000 0.000 0.281 508 M C -2.205 174.011 176.300 -0.141 0.000 1.083 508 M CA -0.239 54.827 55.300 -0.390 0.000 0.965 508 M CB 2.327 34.784 32.600 -0.237 0.000 1.717 508 M HN -0.004 nan 8.290 nan 0.000 0.479 509 A N 3.386 126.159 122.820 -0.078 0.000 2.544 509 A HA 0.567 4.887 4.320 -0.000 0.000 0.291 509 A C -1.899 175.718 177.584 0.055 0.000 1.055 509 A CA -0.969 51.089 52.037 0.035 0.000 0.651 509 A CB 1.428 20.499 19.000 0.118 0.000 1.296 509 A HN 0.941 nan 8.150 nan 0.000 0.431 510 K N 0.304 120.724 120.400 0.033 0.000 2.126 510 K HA 0.643 4.963 4.320 -0.000 0.000 0.257 510 K C -2.663 173.940 176.600 0.005 0.000 1.007 510 K CA -1.478 54.819 56.287 0.018 0.000 0.928 510 K CB 0.277 32.780 32.500 0.005 0.000 1.013 510 K HN 0.271 nan 8.250 nan 0.000 0.473 511 P HA -0.021 nan 4.420 nan 0.000 0.266 511 P C 0.532 177.790 177.300 -0.070 0.000 1.195 511 P CA 1.043 64.091 63.100 -0.086 0.000 0.768 511 P CB 0.646 32.288 31.700 -0.096 0.000 0.838 512 G N 0.662 109.406 108.800 -0.094 0.000 2.254 512 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 512 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 512 G C 0.059 174.933 174.900 -0.043 0.000 1.003 512 G CA -0.115 44.946 45.100 -0.065 0.000 0.622 512 G HN 0.535 nan 8.290 nan 0.000 0.507 513 V N 2.099 121.998 119.914 -0.025 0.000 2.775 513 V HA 0.519 4.639 4.120 -0.000 0.000 0.299 513 V C 0.976 177.068 176.094 -0.003 0.000 1.062 513 V CA 0.521 62.821 62.300 -0.001 0.000 1.063 513 V CB 1.492 33.334 31.823 0.033 0.000 0.994 513 V HN 0.307 nan 8.190 nan 0.000 0.483 514 T N 5.818 120.372 114.554 -0.000 0.000 2.806 514 T HA 0.588 4.938 4.350 -0.000 0.000 0.290 514 T C -0.083 174.633 174.700 0.025 0.000 0.966 514 T CA -0.036 62.064 62.100 -0.000 0.000 1.060 514 T CB 0.472 69.333 68.868 -0.012 0.000 0.927 514 T HN 0.603 nan 8.240 nan 0.000 0.485 515 I N -0.246 120.337 120.570 0.022 0.000 2.910 515 I HA 0.752 4.922 4.170 -0.000 0.000 0.310 515 I C -0.482 175.626 176.117 -0.015 0.000 1.043 515 I CA -0.916 60.404 61.300 0.034 0.000 1.053 515 I CB 2.242 40.255 38.000 0.022 0.000 1.242 515 I HN 0.332 nan 8.210 nan 0.000 0.452 516 T N 4.734 119.285 114.554 -0.005 0.000 2.779 516 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 516 T C -0.223 174.430 174.700 -0.078 0.000 0.987 516 T CA -0.223 61.856 62.100 -0.035 0.000 0.966 516 T CB 1.106 69.980 68.868 0.010 0.000 0.933 516 T HN 0.379 nan 8.240 nan 0.000 0.442 517 I N 3.410 123.891 120.570 -0.148 0.000 2.355 517 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 517 I C -0.444 175.640 176.117 -0.055 0.000 0.999 517 I CA -0.773 60.406 61.300 -0.201 0.000 1.163 517 I CB 1.246 39.023 38.000 -0.371 0.000 1.316 517 I HN 0.460 nan 8.210 nan 0.000 0.454 518 D N 4.661 125.050 120.400 -0.019 0.000 2.252 518 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 518 D C 0.266 176.501 176.300 -0.109 0.000 1.009 518 D CA -0.003 53.997 54.000 -0.000 0.000 0.870 518 D CB 2.580 43.353 40.800 -0.046 0.000 1.251 518 D HN 0.785 nan 8.370 nan 0.000 0.460 519 G N 0.682 109.353 108.800 -0.215 0.000 2.512 519 G HA2 0.241 4.201 3.960 -0.000 0.000 0.181 519 G HA3 0.241 4.201 3.960 -0.000 0.000 0.181 519 G C -1.340 173.279 174.900 -0.469 0.000 1.173 519 G CA -0.636 44.260 45.100 -0.341 0.000 0.988 519 G HN 0.322 nan 8.290 nan 0.000 0.485 520 R N -0.870 119.286 120.500 -0.573 0.000 2.739 520 R HA 0.615 4.955 4.340 -0.000 0.000 0.271 520 R C 0.478 176.445 176.300 -0.554 0.000 1.010 520 R CA -0.058 55.763 56.100 -0.465 0.000 0.897 520 R CB 1.264 31.538 30.300 -0.042 0.000 1.236 520 R HN 2.297 nan 8.270 nan 0.000 0.466 521 G N 1.024 109.634 108.800 -0.317 0.000 2.176 521 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 521 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 521 G C 0.165 175.100 174.900 0.060 0.000 1.024 521 G CA 0.235 45.270 45.100 -0.108 0.000 0.755 521 G HN 0.430 nan 8.290 nan 0.000 0.507 522 F N 0.899 120.872 119.950 0.039 0.000 2.558 522 F HA 0.398 4.925 4.527 -0.000 0.000 0.298 522 F C 2.036 178.067 175.800 0.385 0.000 1.119 522 F CA 0.914 58.969 58.000 0.092 0.000 1.451 522 F CB -0.555 38.274 39.000 -0.285 0.000 1.091 522 F HN 1.101 nan 8.300 nan 0.000 0.563 523 G N 0.053 109.103 108.800 0.418 0.000 2.796 523 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.571 523 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.571 523 G C 0.610 175.776 174.900 0.443 0.000 1.370 523 G CA -0.093 45.218 45.100 0.352 0.000 0.856 523 G HN 0.476 nan 8.290 nan 0.000 0.538 524 S N -1.532 114.327 115.700 0.264 0.000 2.540 524 S HA 0.581 5.051 4.470 -0.000 0.000 0.218 524 S C 0.832 175.508 174.600 0.126 0.000 0.977 524 S CA 1.001 59.349 58.200 0.245 0.000 0.918 524 S CB 0.617 63.900 63.200 0.137 0.000 0.806 524 S HN 1.146 nan 8.310 nan 0.000 0.496 525 S N 1.749 117.426 115.700 -0.039 0.000 2.475 525 S HA 0.409 4.879 4.470 -0.000 0.000 0.298 525 S C -0.251 173.821 174.600 -0.880 0.000 1.119 525 S CA -0.705 57.324 58.200 -0.285 0.000 1.085 525 S CB 0.963 64.039 63.200 -0.206 0.000 1.028 525 S HN 0.344 nan 8.310 nan 0.000 0.489 526 K N 1.964 121.861 120.400 -0.839 0.000 2.484 526 K HA 0.168 4.488 4.320 -0.000 0.000 0.280 526 K C 0.789 176.622 176.600 -1.279 0.000 1.013 526 K CA 0.088 55.630 56.287 -1.241 0.000 1.029 526 K CB 0.387 32.590 32.500 -0.495 0.000 0.902 526 K HN 0.741 nan 8.250 nan 0.000 0.481 527 G N 1.751 109.362 108.800 -1.982 0.000 3.410 527 G HA2 0.329 4.289 3.960 -0.000 0.000 0.189 527 G HA3 0.329 4.289 3.960 -0.000 0.000 0.189 527 G C -0.752 173.911 174.900 -0.395 0.000 1.404 527 G CA -0.157 44.410 45.100 -0.889 0.000 0.898 527 G HN 0.525 nan 8.290 nan 0.000 0.650 528 T N -0.666 113.857 114.554 -0.051 0.000 2.903 528 T HA 0.576 4.926 4.350 -0.000 0.000 0.299 528 T C -1.260 173.449 174.700 0.015 0.000 1.093 528 T CA -0.270 61.791 62.100 -0.064 0.000 1.002 528 T CB 2.274 71.036 68.868 -0.178 0.000 1.127 528 T HN 0.300 nan 8.240 nan 0.000 0.488 529 V N 2.533 122.359 119.914 -0.145 0.000 2.540 529 V HA 0.520 4.640 4.120 -0.000 0.000 0.302 529 V C -1.461 174.462 176.094 -0.285 0.000 1.035 529 V CA -0.829 61.391 62.300 -0.133 0.000 0.873 529 V CB 1.235 33.005 31.823 -0.088 0.000 0.992 529 V HN 0.814 nan 8.190 nan 0.000 0.428 530 Y N 3.803 124.035 120.300 -0.114 0.000 2.377 530 Y HA 0.621 5.171 4.550 -0.000 0.000 0.339 530 Y C -0.427 175.362 175.900 -0.186 0.000 1.011 530 Y CA -0.960 57.115 58.100 -0.042 0.000 1.093 530 Y CB 1.643 40.098 38.460 -0.009 0.000 1.201 530 Y HN 0.516 nan 8.280 nan 0.000 0.455 531 F N 2.478 122.478 119.950 0.083 0.000 2.311 531 F HA 0.529 5.056 4.527 -0.000 0.000 0.371 531 F C 0.945 176.867 175.800 0.203 0.000 1.083 531 F CA -0.257 57.754 58.000 0.018 0.000 1.113 531 F CB 0.802 39.661 39.000 -0.235 0.000 1.349 531 F HN 0.807 nan 8.300 nan 0.000 0.470 532 G N 2.285 111.332 108.800 0.411 0.000 2.565 532 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.295 532 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.295 532 G C 1.107 176.183 174.900 0.293 0.000 1.165 532 G CA 0.529 45.868 45.100 0.399 0.000 0.977 532 G HN 0.743 nan 8.290 nan 0.000 0.546 533 T N -1.847 112.875 114.554 0.279 0.000 3.040 533 T HA 0.431 4.781 4.350 -0.000 0.000 0.250 533 T C 1.036 175.909 174.700 0.287 0.000 1.058 533 T CA 1.409 63.656 62.100 0.245 0.000 0.988 533 T CB 0.150 69.117 68.868 0.166 0.000 0.993 533 T HN 0.758 nan 8.240 nan 0.000 0.519 534 T N 3.256 117.967 114.554 0.262 0.000 2.851 534 T HA 0.605 4.955 4.350 -0.000 0.000 0.298 534 T C 0.177 174.950 174.700 0.121 0.000 0.977 534 T CA -0.363 61.838 62.100 0.168 0.000 1.126 534 T CB 0.812 69.737 68.868 0.094 0.000 0.916 534 T HN 0.532 nan 8.240 nan 0.000 0.529 535 A N 3.364 126.182 122.820 -0.003 0.000 2.301 535 A HA 0.692 5.012 4.320 -0.000 0.000 0.312 535 A C -0.427 177.052 177.584 -0.175 0.000 1.182 535 A CA -0.610 51.271 52.037 -0.261 0.000 0.826 535 A CB 0.743 19.537 19.000 -0.344 0.000 1.134 535 A HN 0.672 nan 8.150 nan 0.000 0.501 536 V N 2.465 122.253 119.914 -0.211 0.000 2.487 536 V HA 0.726 4.846 4.120 -0.000 0.000 0.298 536 V C 0.097 176.118 176.094 -0.121 0.000 1.028 536 V CA 0.131 62.368 62.300 -0.106 0.000 0.860 536 V CB 1.399 33.224 31.823 0.004 0.000 0.991 536 V HN 1.292 nan 8.190 nan 0.000 0.427 537 S N 2.756 118.400 115.700 -0.094 0.000 2.656 537 S HA 0.961 5.431 4.470 -0.000 0.000 0.273 537 S C 0.135 174.693 174.600 -0.070 0.000 1.168 537 S CA 0.110 58.255 58.200 -0.091 0.000 0.817 537 S CB 1.559 64.687 63.200 -0.120 0.000 1.146 537 S HN 2.173 nan 8.310 nan 0.000 0.475 538 G N 1.324 110.078 108.800 -0.077 0.000 2.547 538 G HA2 0.058 4.018 3.960 -0.000 0.000 0.271 538 G HA3 0.058 4.018 3.960 -0.000 0.000 0.271 538 G C 1.103 175.980 174.900 -0.039 0.000 1.209 538 G CA 0.965 46.029 45.100 -0.061 0.000 0.959 538 G HN 2.006 nan 8.290 nan 0.000 0.563 539 A N -1.071 121.728 122.820 -0.035 0.000 1.986 539 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 539 A C 1.954 179.526 177.584 -0.021 0.000 1.171 539 A CA 2.702 54.724 52.037 -0.026 0.000 0.640 539 A CB -0.554 18.430 19.000 -0.027 0.000 0.811 539 A HN 0.677 nan 8.150 nan 0.000 0.451 540 D N -0.461 119.922 120.400 -0.027 0.000 2.310 540 D HA 0.015 4.655 4.640 -0.000 0.000 0.212 540 D C 0.480 176.775 176.300 -0.009 0.000 0.965 540 D CA 0.512 54.495 54.000 -0.028 0.000 0.879 540 D CB -0.186 40.585 40.800 -0.049 0.000 0.921 540 D HN 0.471 nan 8.370 nan 0.000 0.510 541 I N 1.843 122.419 120.570 0.010 0.000 2.260 541 I HA -0.026 4.144 4.170 -0.000 0.000 0.297 541 I C 1.711 177.855 176.117 0.045 0.000 1.143 541 I CA -0.055 61.274 61.300 0.049 0.000 1.271 541 I CB 0.846 38.906 38.000 0.100 0.000 1.461 541 I HN -0.085 nan 8.210 nan 0.000 0.530 542 T N 0.824 115.395 114.554 0.027 0.000 2.995 542 T HA -0.019 4.330 4.350 -0.000 0.000 0.269 542 T C 0.665 175.388 174.700 0.039 0.000 1.091 542 T CA 0.612 62.724 62.100 0.021 0.000 1.128 542 T CB -0.017 68.852 68.868 0.002 0.000 0.891 542 T HN 0.579 nan 8.240 nan 0.000 0.492 543 S N -0.923 114.814 115.700 0.062 0.000 2.542 543 S HA 0.503 4.973 4.470 -0.000 0.000 0.276 543 S C -2.020 172.666 174.600 0.142 0.000 1.148 543 S CA -1.059 57.193 58.200 0.087 0.000 0.886 543 S CB 1.394 64.621 63.200 0.047 0.000 1.109 543 S HN 0.443 nan 8.310 nan 0.000 0.458 544 W N 2.807 124.094 121.300 -0.022 0.000 2.756 544 W HA 0.562 5.222 4.660 -0.000 0.000 0.333 544 W C -1.292 175.245 176.519 0.029 0.000 1.025 544 W CA -0.370 56.968 57.345 -0.012 0.000 1.246 544 W CB 1.685 31.127 29.460 -0.030 0.000 1.358 544 W HN 1.023 nan 8.180 nan 0.000 0.444 545 E N 1.944 122.182 120.200 0.064 0.000 2.445 545 E HA 0.074 4.424 4.350 -0.000 0.000 0.273 545 E C -0.037 176.631 176.600 0.114 0.000 0.961 545 E CA -0.640 55.847 56.400 0.146 0.000 0.807 545 E CB 2.086 31.828 29.700 0.071 0.000 1.362 545 E HN 0.268 nan 8.360 nan 0.000 0.453 546 D N -0.052 120.429 120.400 0.135 0.000 2.149 546 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 546 D C 1.648 177.896 176.300 -0.086 0.000 0.990 546 D CA 2.225 56.275 54.000 0.083 0.000 0.839 546 D CB 0.191 41.017 40.800 0.042 0.000 0.948 546 D HN 0.490 nan 8.370 nan 0.000 0.460 547 T N -3.547 110.972 114.554 -0.059 0.000 3.054 547 T HA 0.152 4.502 4.350 -0.000 0.000 0.255 547 T C 0.507 175.218 174.700 0.019 0.000 1.035 547 T CA -0.453 61.562 62.100 -0.141 0.000 0.941 547 T CB 0.419 69.236 68.868 -0.085 0.000 1.026 547 T HN 0.143 nan 8.240 nan 0.000 0.533 548 Q N 0.013 119.884 119.800 0.120 0.000 2.391 548 Q HA 0.656 4.996 4.340 -0.000 0.000 0.279 548 Q C -2.209 173.720 176.000 -0.117 0.000 1.028 548 Q CA -0.932 54.908 55.803 0.062 0.000 0.836 548 Q CB 2.038 30.770 28.738 -0.009 0.000 1.414 548 Q HN 0.454 nan 8.270 nan 0.000 0.397 549 I N 2.277 122.692 120.570 -0.257 0.000 2.582 549 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 549 I C -0.992 175.002 176.117 -0.206 0.000 1.066 549 I CA -0.767 60.300 61.300 -0.388 0.000 1.053 549 I CB 2.344 39.864 38.000 -0.800 0.000 1.241 549 I HN 0.397 nan 8.210 nan 0.000 0.421 550 K N 4.836 125.171 120.400 -0.109 0.000 2.323 550 K HA 0.756 5.076 4.320 -0.000 0.000 0.259 550 K C -1.480 175.100 176.600 -0.034 0.000 0.947 550 K CA -0.668 55.582 56.287 -0.062 0.000 0.819 550 K CB 2.907 35.387 32.500 -0.033 0.000 1.109 550 K HN 0.329 nan 8.250 nan 0.000 0.429 551 V N 2.871 122.768 119.914 -0.029 0.000 2.971 551 V HA 0.349 4.469 4.120 -0.000 0.000 0.309 551 V C -1.502 174.594 176.094 0.003 0.000 1.130 551 V CA -0.932 61.370 62.300 0.004 0.000 0.964 551 V CB 2.102 33.944 31.823 0.032 0.000 1.029 551 V HN 0.648 nan 8.190 nan 0.000 0.427 552 K N 5.919 126.304 120.400 -0.025 0.000 2.276 552 K HA 0.507 4.827 4.320 -0.000 0.000 0.283 552 K C -0.421 176.073 176.600 -0.177 0.000 1.044 552 K CA -0.315 55.929 56.287 -0.072 0.000 0.944 552 K CB 1.283 33.738 32.500 -0.075 0.000 1.012 552 K HN 0.585 nan 8.250 nan 0.000 0.472 553 I N 5.906 126.338 120.570 -0.231 0.000 2.598 553 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 553 I C -1.704 174.124 176.117 -0.482 0.000 1.140 553 I CA -1.711 59.273 61.300 -0.527 0.000 1.420 553 I CB 0.078 37.898 38.000 -0.300 0.000 1.387 553 I HN 0.334 nan 8.210 nan 0.000 0.553 554 P HA 0.048 nan 4.420 nan 0.000 0.272 554 P C -0.602 176.510 177.300 -0.313 0.000 1.240 554 P CA -0.525 62.335 63.100 -0.400 0.000 0.791 554 P CB 0.621 32.087 31.700 -0.391 0.000 0.978 555 A N 1.657 124.363 122.820 -0.191 0.000 2.990 555 A HA 0.407 4.727 4.320 -0.000 0.000 0.282 555 A C 0.571 178.093 177.584 -0.104 0.000 1.688 555 A CA -0.309 51.652 52.037 -0.126 0.000 1.391 555 A CB -1.459 17.494 19.000 -0.079 0.000 1.112 555 A HN 0.383 nan 8.150 nan 0.000 0.588 556 V N -1.386 118.448 119.914 -0.133 0.000 3.093 556 V HA 0.898 5.018 4.120 -0.000 0.000 0.320 556 V C 0.687 176.797 176.094 0.026 0.000 1.093 556 V CA -0.833 61.430 62.300 -0.062 0.000 1.016 556 V CB 0.866 32.602 31.823 -0.146 0.000 1.096 556 V HN 0.944 nan 8.190 nan 0.000 0.452 557 A N 0.901 123.793 122.820 0.120 0.000 2.466 557 A HA 0.572 4.892 4.320 -0.000 0.000 0.238 557 A C 0.948 178.662 177.584 0.216 0.000 1.074 557 A CA 0.352 52.474 52.037 0.142 0.000 0.774 557 A CB -0.527 18.558 19.000 0.142 0.000 1.015 557 A HN 2.017 nan 8.150 nan 0.000 0.498 558 G N -0.193 108.695 108.800 0.147 0.000 2.353 558 G HA2 0.564 4.524 3.960 -0.000 0.000 0.239 558 G HA3 0.564 4.524 3.960 -0.000 0.000 0.239 558 G C 0.419 175.434 174.900 0.193 0.000 1.295 558 G CA 0.609 45.802 45.100 0.155 0.000 0.884 558 G HN 1.894 nan 8.290 nan 0.000 0.537 559 G N 0.825 109.771 108.800 0.245 0.000 2.327 559 G HA2 0.290 4.250 3.960 -0.000 0.000 0.291 559 G HA3 0.290 4.250 3.960 -0.000 0.000 0.291 559 G C -1.360 173.609 174.900 0.115 0.000 1.290 559 G CA -0.966 44.190 45.100 0.094 0.000 0.857 559 G HN 0.794 nan 8.290 nan 0.000 0.520 560 N N -0.784 117.846 118.700 -0.117 0.000 2.430 560 N HA 0.755 5.495 4.740 -0.000 0.000 0.292 560 N C -1.466 173.949 175.510 -0.159 0.000 1.051 560 N CA -0.162 52.880 53.050 -0.012 0.000 0.917 560 N CB 0.929 39.395 38.487 -0.035 0.000 1.164 560 N HN 0.450 nan 8.380 nan 0.000 0.484 561 Y N 0.424 120.863 120.300 0.231 0.000 2.553 561 Y HA 0.424 4.974 4.550 -0.000 0.000 0.347 561 Y C -0.311 175.718 175.900 0.215 0.000 1.019 561 Y CA -1.101 57.142 58.100 0.238 0.000 1.032 561 Y CB 1.416 40.083 38.460 0.344 0.000 1.284 561 Y HN 0.425 nan 8.280 nan 0.000 0.466 562 N N 1.642 120.522 118.700 0.301 0.000 2.498 562 N HA 0.494 5.234 4.740 -0.000 0.000 0.287 562 N C -1.072 174.509 175.510 0.117 0.000 1.097 562 N CA -0.234 52.926 53.050 0.184 0.000 0.973 562 N CB 1.072 39.625 38.487 0.110 0.000 1.153 562 N HN 0.514 nan 8.380 nan 0.000 0.472 563 I N 0.973 121.571 120.570 0.048 0.000 2.441 563 I HA 0.389 4.559 4.170 -0.000 0.000 0.295 563 I C 0.206 176.289 176.117 -0.056 0.000 0.994 563 I CA -0.616 60.597 61.300 -0.145 0.000 1.144 563 I CB 1.585 39.385 38.000 -0.333 0.000 1.314 563 I HN 0.352 nan 8.210 nan 0.000 0.445 564 K N 5.863 126.220 120.400 -0.071 0.000 2.532 564 K HA 0.771 5.091 4.320 -0.000 0.000 0.265 564 K C -1.860 174.775 176.600 0.057 0.000 0.948 564 K CA -0.651 55.637 56.287 0.001 0.000 0.842 564 K CB 2.813 35.311 32.500 -0.003 0.000 1.392 564 K HN 0.438 nan 8.250 nan 0.000 0.436 565 V N -1.310 118.639 119.914 0.058 0.000 3.001 565 V HA 0.977 5.097 4.120 -0.000 0.000 0.314 565 V C -1.320 174.896 176.094 0.205 0.000 1.099 565 V CA -0.557 61.803 62.300 0.101 0.000 0.989 565 V CB 1.550 33.276 31.823 -0.162 0.000 1.040 565 V HN 0.982 nan 8.190 nan 0.000 0.434 566 A N 2.866 125.870 122.820 0.307 0.000 2.374 566 A HA 0.805 5.125 4.320 -0.000 0.000 0.305 566 A C -0.239 177.522 177.584 0.294 0.000 1.053 566 A CA -0.645 51.556 52.037 0.273 0.000 0.726 566 A CB 1.087 20.256 19.000 0.281 0.000 1.229 566 A HN 1.386 nan 8.150 nan 0.000 0.431 567 N N 1.680 120.537 118.700 0.263 0.000 2.294 567 N HA 0.334 5.074 4.740 -0.000 0.000 0.248 567 N C 1.153 176.681 175.510 0.031 0.000 1.300 567 N CA 0.157 53.355 53.050 0.247 0.000 0.925 567 N CB 0.306 38.949 38.487 0.260 0.000 1.188 567 N HN 0.658 nan 8.380 nan 0.000 0.512 568 A N -0.907 121.866 122.820 -0.078 0.000 2.076 568 A HA 0.020 4.340 4.320 -0.000 0.000 0.220 568 A C 1.917 179.473 177.584 -0.046 0.000 1.160 568 A CA 1.865 53.823 52.037 -0.131 0.000 0.653 568 A CB -1.251 17.643 19.000 -0.177 0.000 0.801 568 A HN 0.881 nan 8.150 nan 0.000 0.455 569 A N -2.202 120.619 122.820 0.002 0.000 2.275 569 A HA 0.440 4.760 4.320 -0.000 0.000 0.212 569 A C 1.711 179.310 177.584 0.024 0.000 1.201 569 A CA 1.098 53.142 52.037 0.011 0.000 0.843 569 A CB -0.679 18.334 19.000 0.021 0.000 0.873 569 A HN 1.810 nan 8.150 nan 0.000 0.492 570 G N -1.459 107.365 108.800 0.040 0.000 2.175 570 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 570 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 570 G C 0.355 175.292 174.900 0.063 0.000 0.982 570 G CA 0.294 45.427 45.100 0.056 0.000 0.641 570 G HN 0.557 nan 8.290 nan 0.000 0.527 571 T N 1.738 116.334 114.554 0.071 0.000 2.814 571 T HA 0.603 4.953 4.350 -0.000 0.000 0.297 571 T C 0.722 175.476 174.700 0.090 0.000 0.956 571 T CA 0.671 62.812 62.100 0.067 0.000 1.123 571 T CB 1.462 70.368 68.868 0.065 0.000 0.902 571 T HN 1.235 nan 8.240 nan 0.000 0.528 572 A N 3.440 126.295 122.820 0.058 0.000 2.279 572 A HA 0.719 5.039 4.320 -0.000 0.000 0.303 572 A C 0.775 178.394 177.584 0.059 0.000 1.108 572 A CA -0.743 51.327 52.037 0.054 0.000 0.830 572 A CB 0.512 19.503 19.000 -0.015 0.000 1.106 572 A HN 0.867 nan 8.150 nan 0.000 0.493 573 S N 1.223 116.966 115.700 0.073 0.000 2.690 573 S HA 0.411 4.881 4.470 -0.000 0.000 0.285 573 S C 0.215 174.841 174.600 0.043 0.000 1.135 573 S CA -0.589 57.657 58.200 0.078 0.000 1.020 573 S CB 0.246 63.524 63.200 0.130 0.000 1.159 573 S HN 0.918 nan 8.310 nan 0.000 0.534 574 N N -0.275 118.454 118.700 0.048 0.000 2.381 574 N HA 0.239 4.979 4.740 -0.000 0.000 0.254 574 N C -0.587 174.961 175.510 0.064 0.000 1.264 574 N CA -0.520 52.554 53.050 0.041 0.000 0.942 574 N CB 0.197 38.707 38.487 0.040 0.000 1.190 574 N HN 0.434 nan 8.380 nan 0.000 0.495 575 V N 0.454 120.401 119.914 0.055 0.000 2.567 575 V HA 0.173 4.293 4.120 -0.000 0.000 0.289 575 V C -0.888 175.279 176.094 0.122 0.000 1.049 575 V CA -0.604 61.739 62.300 0.070 0.000 0.969 575 V CB 0.429 32.273 31.823 0.036 0.000 0.995 575 V HN 0.651 nan 8.190 nan 0.000 0.471 576 Y N 4.677 124.976 120.300 -0.001 0.000 2.328 576 Y HA 0.423 4.973 4.550 -0.000 0.000 0.333 576 Y C 0.140 176.061 175.900 0.035 0.000 0.958 576 Y CA -0.997 57.109 58.100 0.011 0.000 1.167 576 Y CB 0.933 39.384 38.460 -0.014 0.000 1.151 576 Y HN 0.834 nan 8.280 nan 0.000 0.470 577 D N 2.440 122.815 120.400 -0.042 0.000 2.440 577 D HA 0.214 4.854 4.640 -0.000 0.000 0.258 577 D C -0.135 176.203 176.300 0.064 0.000 1.092 577 D CA -0.702 53.321 54.000 0.038 0.000 1.016 577 D CB 1.483 42.267 40.800 -0.026 0.000 1.141 577 D HN 0.620 nan 8.370 nan 0.000 0.552 578 N N -2.078 116.684 118.700 0.103 0.000 2.952 578 N HA -0.215 4.525 4.740 -0.000 0.000 0.245 578 N C -1.203 174.390 175.510 0.138 0.000 1.029 578 N CA 0.147 53.248 53.050 0.084 0.000 0.870 578 N CB -1.960 36.534 38.487 0.013 0.000 1.121 578 N HN 0.442 nan 8.380 nan 0.000 0.559 579 F N 2.087 122.133 119.950 0.160 0.000 2.467 579 F HA 0.326 4.853 4.527 -0.000 0.000 0.362 579 F C 0.745 176.678 175.800 0.222 0.000 1.090 579 F CA -0.123 57.996 58.000 0.197 0.000 1.202 579 F CB 0.616 39.754 39.000 0.230 0.000 1.113 579 F HN 0.141 nan 8.300 nan 0.000 0.541 580 E N 5.439 125.168 120.200 -0.785 0.000 2.133 580 E HA 0.426 4.776 4.350 -0.000 0.000 0.274 580 E C -1.611 174.816 176.600 -0.289 0.000 0.930 580 E CA -0.790 55.413 56.400 -0.329 0.000 0.770 580 E CB 1.339 30.900 29.700 -0.231 0.000 1.104 580 E HN 0.498 nan 8.360 nan 0.000 0.403 581 V N 6.513 126.514 119.914 0.145 0.000 2.364 581 V HA 0.216 4.336 4.120 -0.000 0.000 0.272 581 V C 0.391 176.543 176.094 0.096 0.000 1.036 581 V CA -0.518 61.893 62.300 0.184 0.000 0.880 581 V CB 0.838 32.797 31.823 0.227 0.000 0.991 581 V HN 0.717 nan 8.190 nan 0.000 0.460 582 L N 3.440 124.686 121.223 0.039 0.000 2.453 582 L HA 0.241 4.581 4.340 -0.000 0.000 0.261 582 L C 1.513 178.402 176.870 0.032 0.000 1.179 582 L CA 0.044 54.897 54.840 0.021 0.000 0.813 582 L CB 0.853 42.911 42.059 -0.002 0.000 1.110 582 L HN 0.611 nan 8.230 nan 0.000 0.466 583 S N 0.091 115.806 115.700 0.025 0.000 2.527 583 S HA 0.232 4.702 4.470 -0.000 0.000 0.222 583 S C 0.458 175.066 174.600 0.012 0.000 0.985 583 S CA 0.586 58.801 58.200 0.024 0.000 0.921 583 S CB 0.102 63.315 63.200 0.020 0.000 0.772 583 S HN 0.933 nan 8.310 nan 0.000 0.529 584 G N 0.390 109.195 108.800 0.008 0.000 2.345 584 G HA2 0.131 4.091 3.960 -0.000 0.000 0.285 584 G HA3 0.131 4.091 3.960 -0.000 0.000 0.285 584 G C -2.208 172.693 174.900 0.001 0.000 1.297 584 G CA -0.980 44.121 45.100 0.003 0.000 0.875 584 G HN 0.060 nan 8.290 nan 0.000 0.506 585 D N 0.795 121.195 120.400 -0.001 0.000 2.419 585 D HA 0.308 4.948 4.640 -0.000 0.000 0.236 585 D C 0.134 176.435 176.300 0.000 0.000 1.165 585 D CA 0.573 54.571 54.000 -0.004 0.000 0.882 585 D CB 0.704 41.502 40.800 -0.004 0.000 1.201 585 D HN 0.298 nan 8.370 nan 0.000 0.443 586 Q N 0.125 119.922 119.800 -0.006 0.000 2.351 586 Q HA 0.596 4.935 4.340 -0.000 0.000 0.273 586 Q C -0.289 175.726 176.000 0.024 0.000 1.077 586 Q CA -1.000 54.809 55.803 0.010 0.000 0.843 586 Q CB 2.341 31.075 28.738 -0.007 0.000 1.367 586 Q HN 0.344 nan 8.270 nan 0.000 0.449 587 V N -2.438 117.512 119.914 0.061 0.000 3.040 587 V HA 0.713 4.833 4.120 -0.000 0.000 0.312 587 V C -0.413 175.761 176.094 0.134 0.000 1.115 587 V CA -0.948 61.408 62.300 0.094 0.000 0.998 587 V CB 1.993 33.878 31.823 0.103 0.000 1.042 587 V HN 0.679 nan 8.190 nan 0.000 0.433 588 S N 1.352 117.161 115.700 0.182 0.000 2.429 588 S HA 0.749 5.219 4.470 -0.000 0.000 0.302 588 S C -0.695 174.035 174.600 0.217 0.000 1.115 588 S CA -0.354 57.991 58.200 0.241 0.000 1.095 588 S CB 0.701 64.136 63.200 0.391 0.000 0.987 588 S HN 0.849 nan 8.310 nan 0.000 0.474 589 V N 6.103 126.135 119.914 0.197 0.000 2.540 589 V HA 0.528 4.648 4.120 -0.000 0.000 0.302 589 V C 0.060 176.199 176.094 0.076 0.000 1.035 589 V CA -0.981 61.361 62.300 0.070 0.000 0.873 589 V CB 1.843 33.651 31.823 -0.026 0.000 0.992 589 V HN 0.854 nan 8.190 nan 0.000 0.428 590 R N 3.622 124.117 120.500 -0.009 0.000 2.229 590 R HA 0.524 4.864 4.340 -0.000 0.000 0.328 590 R C -1.547 174.698 176.300 -0.092 0.000 1.009 590 R CA -0.290 55.860 56.100 0.082 0.000 0.864 590 R CB 0.548 30.918 30.300 0.116 0.000 1.085 590 R HN 0.479 nan 8.270 nan 0.000 0.453 591 F N 3.877 123.835 119.950 0.013 0.000 2.421 591 F HA 0.407 4.934 4.527 -0.000 0.000 0.337 591 F C -0.197 175.636 175.800 0.055 0.000 1.105 591 F CA -0.671 57.325 58.000 -0.008 0.000 1.049 591 F CB 1.970 40.989 39.000 0.032 0.000 1.139 591 F HN 0.106 nan 8.300 nan 0.000 0.479 592 V N 3.939 123.923 119.914 0.117 0.000 2.577 592 V HA 0.531 4.651 4.120 -0.000 0.000 0.303 592 V C -1.007 175.023 176.094 -0.107 0.000 1.042 592 V CA -0.903 61.346 62.300 -0.084 0.000 0.872 592 V CB 1.927 33.514 31.823 -0.392 0.000 0.998 592 V HN 0.541 nan 8.190 nan 0.000 0.423 593 V N 5.672 125.459 119.914 -0.212 0.000 2.444 593 V HA 0.554 4.674 4.120 -0.000 0.000 0.294 593 V C -0.325 175.709 176.094 -0.101 0.000 1.022 593 V CA -0.412 61.683 62.300 -0.342 0.000 0.850 593 V CB 1.674 32.897 31.823 -1.001 0.000 0.992 593 V HN 0.950 nan 8.190 nan 0.000 0.426 594 N N 5.827 124.504 118.700 -0.038 0.000 2.509 594 N HA 0.314 5.054 4.740 -0.000 0.000 0.287 594 N C -0.338 175.203 175.510 0.051 0.000 1.121 594 N CA -0.224 52.838 53.050 0.020 0.000 0.977 594 N CB 0.728 39.230 38.487 0.025 0.000 1.167 594 N HN 0.827 nan 8.380 nan 0.000 0.476 595 N N -0.661 118.046 118.700 0.012 0.000 2.696 595 N HA -0.197 4.543 4.740 -0.000 0.000 0.256 595 N C -0.962 174.500 175.510 -0.081 0.000 1.031 595 N CA 0.372 53.402 53.050 -0.034 0.000 0.730 595 N CB -1.382 37.104 38.487 -0.003 0.000 0.894 595 N HN 0.626 nan 8.380 nan 0.000 0.544 596 A N 0.429 123.174 122.820 -0.125 0.000 2.801 596 A HA 0.467 4.787 4.320 -0.000 0.000 0.344 596 A C 0.847 178.296 177.584 -0.225 0.000 1.322 596 A CA -0.252 51.549 52.037 -0.393 0.000 0.913 596 A CB 0.225 18.952 19.000 -0.455 0.000 1.140 596 A HN 0.386 nan 8.150 nan 0.000 0.487 597 T N 0.286 114.688 114.554 -0.253 0.000 2.907 597 T HA 0.598 4.947 4.350 -0.000 0.000 0.298 597 T C 0.401 175.149 174.700 0.081 0.000 1.017 597 T CA 0.254 62.343 62.100 -0.018 0.000 1.118 597 T CB 0.968 69.839 68.868 0.004 0.000 0.948 597 T HN 0.776 nan 8.240 nan 0.000 0.531 598 T N -0.718 114.062 114.554 0.377 0.000 2.888 598 T HA 0.811 5.161 4.350 -0.000 0.000 0.288 598 T C -0.128 174.662 174.700 0.149 0.000 1.063 598 T CA -0.916 61.294 62.100 0.184 0.000 1.010 598 T CB 1.397 70.417 68.868 0.254 0.000 1.214 598 T HN 1.051 nan 8.240 nan 0.000 0.533 599 A N 0.571 123.437 122.820 0.078 0.000 2.256 599 A HA 0.762 5.082 4.320 -0.000 0.000 0.318 599 A C 0.084 177.696 177.584 0.046 0.000 1.103 599 A CA -1.041 51.027 52.037 0.051 0.000 0.860 599 A CB 0.154 19.175 19.000 0.035 0.000 1.182 599 A HN 0.909 nan 8.150 nan 0.000 0.501 600 L N 0.707 121.944 121.223 0.024 0.000 2.525 600 L HA 0.315 4.655 4.340 -0.000 0.000 0.278 600 L C 1.537 178.429 176.870 0.036 0.000 1.218 600 L CA 1.436 56.287 54.840 0.018 0.000 0.878 600 L CB 0.115 42.177 42.059 0.005 0.000 1.127 600 L HN 1.259 nan 8.230 nan 0.000 0.492 601 G N 2.248 111.077 108.800 0.049 0.000 2.155 601 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 601 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 601 G C 0.093 175.040 174.900 0.078 0.000 0.983 601 G CA 0.285 45.423 45.100 0.062 0.000 0.676 601 G HN 0.638 nan 8.290 nan 0.000 0.528 602 Q N 0.207 120.059 119.800 0.087 0.000 2.333 602 Q HA 0.548 4.888 4.340 -0.000 0.000 0.265 602 Q C -0.657 175.408 176.000 0.109 0.000 0.989 602 Q CA -0.809 55.043 55.803 0.082 0.000 0.842 602 Q CB 0.654 29.420 28.738 0.047 0.000 1.262 602 Q HN 0.303 nan 8.270 nan 0.000 0.451 603 N N 1.810 120.568 118.700 0.097 0.000 2.328 603 N HA 0.416 5.156 4.740 -0.000 0.000 0.299 603 N C -1.131 174.225 175.510 -0.256 0.000 1.179 603 N CA -0.411 52.614 53.050 -0.042 0.000 0.793 603 N CB 2.185 40.689 38.487 0.028 0.000 1.366 603 N HN 0.300 nan 8.380 nan 0.000 0.493 604 V N 1.895 121.292 119.914 -0.861 0.000 2.607 604 V HA 0.383 4.503 4.120 -0.000 0.000 0.289 604 V C -0.795 175.011 176.094 -0.479 0.000 1.053 604 V CA -0.007 61.882 62.300 -0.686 0.000 0.996 604 V CB 0.182 31.246 31.823 -1.266 0.000 0.995 604 V HN 0.521 nan 8.190 nan 0.000 0.476 605 Y N 2.985 123.197 120.300 -0.147 0.000 2.638 605 Y HA 0.732 5.282 4.550 -0.000 0.000 0.339 605 Y C -0.442 175.434 175.900 -0.040 0.000 1.084 605 Y CA -1.070 56.954 58.100 -0.127 0.000 1.068 605 Y CB 1.904 40.262 38.460 -0.170 0.000 1.294 605 Y HN 0.522 nan 8.280 nan 0.000 0.480 606 L N 0.810 122.025 121.223 -0.013 0.000 2.365 606 L HA 0.873 5.213 4.340 -0.000 0.000 0.273 606 L C -0.626 176.078 176.870 -0.278 0.000 1.000 606 L CA 0.056 54.729 54.840 -0.278 0.000 0.819 606 L CB 2.090 43.876 42.059 -0.455 0.000 1.284 606 L HN 0.687 nan 8.230 nan 0.000 0.418 607 T N 2.520 116.894 114.554 -0.300 0.000 2.864 607 T HA 0.943 5.293 4.350 -0.000 0.000 0.299 607 T C -0.699 173.754 174.700 -0.412 0.000 1.166 607 T CA -0.007 61.940 62.100 -0.256 0.000 1.007 607 T CB 1.546 70.361 68.868 -0.089 0.000 1.219 607 T HN 1.125 nan 8.240 nan 0.000 0.506 608 G N 0.224 108.595 108.800 -0.714 0.000 2.430 608 G HA2 0.398 4.358 3.960 -0.000 0.000 0.300 608 G HA3 0.398 4.358 3.960 -0.000 0.000 0.300 608 G C 0.730 174.859 174.900 -1.285 0.000 1.330 608 G CA 0.351 44.755 45.100 -1.160 0.000 0.813 608 G HN 1.098 nan 8.290 nan 0.000 0.487 609 S N -1.676 113.486 115.700 -0.896 0.000 2.537 609 S HA 0.117 4.587 4.470 -0.000 0.000 0.240 609 S C 1.020 175.524 174.600 -0.160 0.000 0.981 609 S CA 1.426 59.421 58.200 -0.341 0.000 0.948 609 S CB -0.976 62.291 63.200 0.113 0.000 0.759 609 S HN 1.873 nan 8.310 nan 0.000 0.531 610 V N -1.428 118.378 119.914 -0.180 0.000 2.960 610 V HA 0.688 4.808 4.120 -0.000 0.000 0.315 610 V C 1.270 177.309 176.094 -0.091 0.000 1.087 610 V CA -0.422 61.829 62.300 -0.080 0.000 0.982 610 V CB 1.167 32.970 31.823 -0.033 0.000 1.039 610 V HN 0.224 nan 8.190 nan 0.000 0.437 611 S N 0.410 116.088 115.700 -0.037 0.000 2.387 611 S HA -0.226 4.244 4.470 -0.000 0.000 0.230 611 S C 1.328 175.903 174.600 -0.040 0.000 1.035 611 S CA 1.798 59.981 58.200 -0.028 0.000 1.014 611 S CB -0.706 62.501 63.200 0.013 0.000 0.836 611 S HN 0.907 nan 8.310 nan 0.000 0.466 612 E N 0.640 120.821 120.200 -0.032 0.000 2.331 612 E HA 0.066 4.416 4.350 -0.000 0.000 0.199 612 E C 0.942 177.506 176.600 -0.061 0.000 1.008 612 E CA 0.554 56.938 56.400 -0.027 0.000 0.843 612 E CB -0.183 29.518 29.700 0.002 0.000 0.761 612 E HN 0.381 nan 8.360 nan 0.000 0.507 613 L N -1.517 119.638 121.223 -0.113 0.000 2.959 613 L HA 0.362 4.702 4.340 -0.000 0.000 0.259 613 L C 1.229 177.985 176.870 -0.190 0.000 1.185 613 L CA 0.656 55.385 54.840 -0.185 0.000 0.998 613 L CB 0.641 42.539 42.059 -0.267 0.000 1.337 613 L HN 0.176 nan 8.230 nan 0.000 0.555 614 G N -0.330 108.392 108.800 -0.129 0.000 2.195 614 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 614 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 614 G C 0.693 175.543 174.900 -0.083 0.000 0.984 614 G CA 0.103 45.148 45.100 -0.091 0.000 0.633 614 G HN 0.231 nan 8.290 nan 0.000 0.525 615 N N -1.205 117.392 118.700 -0.172 0.000 2.740 615 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 615 N C 0.871 176.399 175.510 0.031 0.000 1.062 615 N CA 1.894 54.862 53.050 -0.137 0.000 0.704 615 N CB -1.707 36.780 38.487 -0.000 0.000 0.968 615 N HN 1.332 nan 8.380 nan 0.000 0.547 616 W N -2.975 118.385 121.300 0.100 0.000 2.062 616 W HA -0.266 4.394 4.660 -0.000 0.000 0.257 616 W C 0.362 177.000 176.519 0.199 0.000 1.024 616 W CA 0.474 57.930 57.345 0.186 0.000 0.471 616 W CB -1.411 28.135 29.460 0.143 0.000 2.039 616 W HN 0.276 nan 8.180 nan 0.000 1.321 617 D N 0.670 121.216 120.400 0.244 0.000 2.339 617 D HA 0.182 4.822 4.640 -0.000 0.000 0.241 617 D C -0.799 175.547 176.300 0.076 0.000 1.183 617 D CA -2.077 52.021 54.000 0.164 0.000 0.859 617 D CB 1.216 42.068 40.800 0.087 0.000 1.067 617 D HN -0.189 nan 8.370 nan 0.000 0.484 618 P HA -0.093 nan 4.420 nan 0.000 0.218 618 P C 0.921 178.143 177.300 -0.130 0.000 1.148 618 P CA 0.907 63.949 63.100 -0.096 0.000 0.822 618 P CB 0.107 31.734 31.700 -0.122 0.000 0.784 619 A N -0.461 122.322 122.820 -0.063 0.000 2.172 619 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 619 A C 1.714 179.259 177.584 -0.065 0.000 1.154 619 A CA 1.269 53.263 52.037 -0.071 0.000 0.701 619 A CB -0.824 18.157 19.000 -0.032 0.000 0.789 619 A HN 0.203 nan 8.150 nan 0.000 0.465 620 K N -0.647 119.720 120.400 -0.055 0.000 2.536 620 K HA 0.398 4.718 4.320 -0.000 0.000 0.203 620 K C 0.205 176.773 176.600 -0.053 0.000 1.063 620 K CA 0.123 56.384 56.287 -0.043 0.000 1.063 620 K CB 0.859 33.342 32.500 -0.029 0.000 0.843 620 K HN 0.356 nan 8.250 nan 0.000 0.521 621 A N 1.302 124.073 122.820 -0.082 0.000 2.425 621 A HA 0.246 4.566 4.320 -0.000 0.000 0.242 621 A C 0.197 177.790 177.584 0.015 0.000 1.077 621 A CA -0.174 51.822 52.037 -0.069 0.000 0.781 621 A CB 0.175 19.103 19.000 -0.120 0.000 1.020 621 A HN 0.122 nan 8.150 nan 0.000 0.494 622 I N 1.245 121.796 120.570 -0.032 0.000 2.474 622 I HA 0.578 4.748 4.170 -0.000 0.000 0.287 622 I C 1.012 177.031 176.117 -0.162 0.000 1.048 622 I CA 1.150 62.406 61.300 -0.074 0.000 1.383 622 I CB -0.230 37.681 38.000 -0.149 0.000 1.412 622 I HN 1.047 nan 8.210 nan 0.000 0.531 623 G N 7.740 116.351 108.800 -0.316 0.000 2.340 623 G HA2 0.133 4.093 3.960 -0.000 0.000 0.282 623 G HA3 0.133 4.093 3.960 -0.000 0.000 0.282 623 G C -3.213 171.443 174.900 -0.408 0.000 1.312 623 G CA -0.903 43.767 45.100 -0.716 0.000 0.942 623 G HN 0.396 nan 8.290 nan 0.000 0.495 624 P HA 0.416 nan 4.420 nan 0.000 0.272 624 P C 0.358 177.276 177.300 -0.637 0.000 1.223 624 P CA -0.107 62.456 63.100 -0.894 0.000 0.784 624 P CB 0.376 31.823 31.700 -0.422 0.000 0.923 625 M N 1.197 120.489 119.600 -0.512 0.000 2.157 625 M HA 0.161 4.641 4.480 -0.000 0.000 0.304 625 M C 0.151 176.565 176.300 0.190 0.000 1.171 625 M CA 0.269 55.407 55.300 -0.269 0.000 1.157 625 M CB -0.033 32.567 32.600 0.001 0.000 1.403 625 M HN 0.253 nan 8.290 nan 0.000 0.473 626 Y N 1.398 121.713 120.300 0.026 0.000 2.354 626 Y HA 0.252 4.802 4.550 -0.000 0.000 0.322 626 Y C 0.619 176.402 175.900 -0.194 0.000 1.253 626 Y CA -1.391 56.585 58.100 -0.207 0.000 1.272 626 Y CB 0.561 38.589 38.460 -0.720 0.000 1.255 626 Y HN 0.705 nan 8.280 nan 0.000 0.500 627 N N -1.252 117.460 118.700 0.020 0.000 2.228 627 N HA 0.092 4.832 4.740 -0.000 0.000 0.237 627 N C -0.259 175.237 175.510 -0.023 0.000 1.382 627 N CA -0.072 52.923 53.050 -0.092 0.000 0.787 627 N CB -0.060 37.953 38.487 -0.791 0.000 1.320 627 N HN 0.589 nan 8.380 nan 0.000 0.507 628 Q N -0.230 119.604 119.800 0.056 0.000 2.525 628 Q HA 0.308 4.648 4.340 -0.000 0.000 0.203 628 Q C 1.329 177.318 176.000 -0.019 0.000 0.947 628 Q CA 0.736 56.529 55.803 -0.016 0.000 0.881 628 Q CB 0.494 29.194 28.738 -0.063 0.000 1.049 628 Q HN 0.092 nan 8.270 nan 0.000 0.600 629 V N 0.343 120.256 119.914 -0.002 0.000 2.261 629 V HA -0.166 3.954 4.120 -0.000 0.000 0.235 629 V C 2.160 178.100 176.094 -0.255 0.000 1.044 629 V CA 1.427 63.667 62.300 -0.100 0.000 1.007 629 V CB -0.751 31.025 31.823 -0.079 0.000 0.647 629 V HN 0.148 nan 8.190 nan 0.000 0.462 630 V N -1.564 118.062 119.914 -0.480 0.000 2.261 630 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 630 V C 0.855 176.415 176.094 -0.890 0.000 1.047 630 V CA 1.639 63.445 62.300 -0.824 0.000 1.015 630 V CB -0.662 30.519 31.823 -1.070 0.000 0.642 630 V HN 0.492 nan 8.190 nan 0.000 0.446 631 Y N -1.220 118.678 120.300 -0.670 0.000 2.524 631 Y HA 0.688 5.238 4.550 -0.000 0.000 0.344 631 Y C -0.033 175.810 175.900 -0.096 0.000 1.012 631 Y CA -1.312 56.618 58.100 -0.283 0.000 1.068 631 Y CB 1.370 39.723 38.460 -0.177 0.000 1.249 631 Y HN 0.066 nan 8.280 nan 0.000 0.468 632 Q N 0.645 120.478 119.800 0.054 0.000 2.306 632 Q HA 0.306 4.646 4.340 -0.000 0.000 0.265 632 Q C -1.315 174.672 176.000 -0.022 0.000 1.022 632 Q CA -0.965 54.842 55.803 0.007 0.000 0.853 632 Q CB 1.503 30.228 28.738 -0.020 0.000 1.327 632 Q HN 0.597 nan 8.270 nan 0.000 0.449 633 Y N 3.982 124.140 120.300 -0.237 0.000 2.805 633 Y HA 0.021 4.571 4.550 -0.000 0.000 0.337 633 Y C -1.390 174.437 175.900 -0.121 0.000 1.252 633 Y CA -0.846 57.057 58.100 -0.329 0.000 1.515 633 Y CB 0.708 38.939 38.460 -0.381 0.000 1.305 633 Y HN 0.561 nan 8.280 nan 0.000 0.600 634 P HA 0.067 nan 4.420 nan 0.000 0.253 634 P C -1.146 175.985 177.300 -0.282 0.000 1.508 634 P CA 0.261 62.678 63.100 -1.137 0.000 0.883 634 P CB -0.059 31.137 31.700 -0.841 0.000 1.519 635 N N 0.505 119.108 118.700 -0.161 0.000 2.456 635 N HA 0.255 4.995 4.740 -0.000 0.000 0.288 635 N C -0.699 174.875 175.510 0.106 0.000 1.059 635 N CA -0.005 53.082 53.050 0.061 0.000 0.946 635 N CB 0.724 39.266 38.487 0.092 0.000 1.150 635 N HN 0.029 nan 8.380 nan 0.000 0.479 636 W N 1.590 122.892 121.300 0.004 0.000 2.781 636 W HA 0.481 5.141 4.660 -0.000 0.000 0.345 636 W C -0.267 176.338 176.519 0.143 0.000 1.085 636 W CA -0.683 56.719 57.345 0.095 0.000 1.198 636 W CB 0.524 29.980 29.460 -0.007 0.000 1.423 636 W HN 0.429 nan 8.180 nan 0.000 0.532 637 Y N -0.510 119.951 120.300 0.268 0.000 2.655 637 Y HA 0.819 5.368 4.550 -0.000 0.000 0.336 637 Y C -2.019 174.087 175.900 0.344 0.000 1.154 637 Y CA -2.726 55.483 58.100 0.182 0.000 1.055 637 Y CB 1.623 40.096 38.460 0.022 0.000 1.295 637 Y HN 0.485 nan 8.280 nan 0.000 0.465 638 Y N 0.416 120.777 120.300 0.101 0.000 2.522 638 Y HA 0.311 4.861 4.550 -0.000 0.000 0.326 638 Y C -1.968 174.046 175.900 0.190 0.000 1.198 638 Y CA -1.381 56.699 58.100 -0.033 0.000 1.112 638 Y CB 1.587 39.965 38.460 -0.136 0.000 1.342 638 Y HN 0.802 nan 8.280 nan 0.000 0.460 639 D N 4.153 124.425 120.400 -0.214 0.000 2.280 639 D HA 0.545 5.185 4.640 -0.000 0.000 0.243 639 D C -0.899 175.464 176.300 0.104 0.000 1.129 639 D CA 0.143 54.181 54.000 0.064 0.000 0.848 639 D CB 1.904 42.795 40.800 0.152 0.000 1.107 639 D HN 0.218 nan 8.370 nan 0.000 0.471 640 V N 1.251 121.328 119.914 0.272 0.000 2.789 640 V HA 0.292 4.412 4.120 -0.000 0.000 0.311 640 V C 0.186 176.424 176.094 0.240 0.000 1.073 640 V CA -0.882 61.576 62.300 0.264 0.000 0.921 640 V CB 2.229 34.208 31.823 0.260 0.000 1.009 640 V HN 0.470 nan 8.190 nan 0.000 0.426 641 S N 3.091 118.892 115.700 0.168 0.000 2.499 641 S HA 0.684 5.154 4.470 -0.000 0.000 0.275 641 S C -0.506 174.167 174.600 0.122 0.000 1.257 641 S CA -0.334 57.940 58.200 0.124 0.000 1.050 641 S CB 0.638 63.875 63.200 0.062 0.000 0.937 641 S HN 1.148 nan 8.310 nan 0.000 0.490 642 V N 2.741 122.736 119.914 0.135 0.000 3.114 642 V HA 0.790 4.910 4.120 -0.000 0.000 0.308 642 V C -2.999 173.145 176.094 0.083 0.000 1.168 642 V CA -2.880 59.497 62.300 0.129 0.000 1.015 642 V CB 1.654 33.619 31.823 0.237 0.000 1.050 642 V HN 0.633 nan 8.190 nan 0.000 0.433 643 P HA 0.283 nan 4.420 nan 0.000 0.267 643 P C -0.033 177.275 177.300 0.014 0.000 1.209 643 P CA 0.572 63.685 63.100 0.023 0.000 0.763 643 P CB 0.514 32.219 31.700 0.009 0.000 0.816 644 A N 3.641 126.469 122.820 0.015 0.000 2.477 644 A HA 0.451 4.771 4.320 -0.000 0.000 0.246 644 A C 1.579 179.156 177.584 -0.012 0.000 1.078 644 A CA 0.555 52.599 52.037 0.011 0.000 0.770 644 A CB -1.114 17.896 19.000 0.017 0.000 1.011 644 A HN 0.840 nan 8.150 nan 0.000 0.494 645 G N 1.459 110.244 108.800 -0.026 0.000 2.168 645 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.263 645 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.263 645 G C 0.270 175.128 174.900 -0.070 0.000 0.977 645 G CA 0.867 45.943 45.100 -0.041 0.000 0.659 645 G HN 0.834 nan 8.290 nan 0.000 0.533 646 K N 0.586 120.927 120.400 -0.097 0.000 2.144 646 K HA 0.472 4.792 4.320 -0.000 0.000 0.270 646 K C -0.140 176.337 176.600 -0.205 0.000 1.005 646 K CA -0.298 55.923 56.287 -0.109 0.000 0.932 646 K CB 1.095 33.554 32.500 -0.068 0.000 1.021 646 K HN 0.076 nan 8.250 nan 0.000 0.462 647 T N 3.240 117.713 114.554 -0.135 0.000 2.743 647 T HA 0.390 4.740 4.350 -0.000 0.000 0.293 647 T C 0.217 174.872 174.700 -0.075 0.000 0.945 647 T CA -0.331 61.687 62.100 -0.137 0.000 1.030 647 T CB 0.019 68.861 68.868 -0.044 0.000 0.912 647 T HN 0.321 nan 8.240 nan 0.000 0.483 648 I N 2.627 123.145 120.570 -0.086 0.000 2.569 648 I HA 0.402 4.572 4.170 -0.000 0.000 0.296 648 I C 0.217 176.572 176.117 0.396 0.000 1.028 648 I CA -0.903 60.471 61.300 0.125 0.000 1.082 648 I CB 2.401 40.478 38.000 0.128 0.000 1.264 648 I HN 0.457 nan 8.210 nan 0.000 0.429 649 E N 5.131 125.547 120.200 0.360 0.000 2.191 649 E HA 0.650 5.000 4.350 -0.000 0.000 0.274 649 E C -1.466 175.404 176.600 0.450 0.000 0.948 649 E CA -0.539 56.118 56.400 0.429 0.000 0.802 649 E CB 2.184 32.153 29.700 0.447 0.000 1.137 649 E HN 0.412 nan 8.360 nan 0.000 0.397 650 F N -0.157 119.968 119.950 0.292 0.000 2.711 650 F HA 0.702 5.229 4.527 -0.000 0.000 0.313 650 F C -1.202 174.775 175.800 0.296 0.000 1.141 650 F CA -1.110 56.949 58.000 0.099 0.000 0.941 650 F CB 1.386 40.350 39.000 -0.060 0.000 1.349 650 F HN 0.175 nan 8.300 nan 0.000 0.464 651 K N 0.446 121.027 120.400 0.301 0.000 2.556 651 K HA 0.651 4.971 4.320 -0.000 0.000 0.274 651 K C -2.108 174.428 176.600 -0.106 0.000 0.966 651 K CA -0.645 55.786 56.287 0.240 0.000 0.865 651 K CB 2.497 35.295 32.500 0.495 0.000 1.444 651 K HN 0.573 nan 8.250 nan 0.000 0.433 652 F N 2.019 122.075 119.950 0.176 0.000 2.483 652 F HA 0.618 5.145 4.527 -0.000 0.000 0.329 652 F C -0.245 175.600 175.800 0.076 0.000 1.064 652 F CA -0.771 57.311 58.000 0.136 0.000 0.986 652 F CB 1.182 40.336 39.000 0.255 0.000 1.218 652 F HN 0.212 nan 8.300 nan 0.000 0.484 653 L N -0.404 120.998 121.223 0.298 0.000 2.434 653 L HA 0.682 5.022 4.340 -0.000 0.000 0.260 653 L C -1.470 175.505 176.870 0.176 0.000 0.983 653 L CA -1.220 53.696 54.840 0.128 0.000 0.820 653 L CB 2.138 43.952 42.059 -0.409 0.000 1.361 653 L HN 0.411 nan 8.230 nan 0.000 0.410 654 K N 1.867 122.344 120.400 0.128 0.000 2.213 654 K HA 0.570 4.889 4.320 -0.000 0.000 0.270 654 K C -1.016 175.572 176.600 -0.020 0.000 1.002 654 K CA -0.601 55.693 56.287 0.011 0.000 0.868 654 K CB 1.923 34.385 32.500 -0.064 0.000 1.093 654 K HN 0.488 nan 8.250 nan 0.000 0.454 655 K N 2.111 122.515 120.400 0.007 0.000 2.316 655 K HA 0.262 4.582 4.320 -0.000 0.000 0.251 655 K C -1.161 175.444 176.600 0.008 0.000 0.934 655 K CA -0.753 55.482 56.287 -0.087 0.000 0.802 655 K CB 2.067 34.340 32.500 -0.378 0.000 1.171 655 K HN 0.445 nan 8.250 nan 0.000 0.426 656 Q N 1.733 121.521 119.800 -0.019 0.000 2.350 656 Q HA 0.317 4.657 4.340 -0.000 0.000 0.255 656 Q C -0.043 175.953 176.000 -0.006 0.000 0.951 656 Q CA 0.012 55.822 55.803 0.012 0.000 0.751 656 Q CB 1.378 30.127 28.738 0.020 0.000 1.296 656 Q HN 0.867 nan 8.270 nan 0.000 0.453 657 G N 2.280 111.080 108.800 0.000 0.000 2.561 657 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.289 657 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.289 657 G C 0.443 175.317 174.900 -0.043 0.000 1.169 657 G CA 0.534 45.629 45.100 -0.009 0.000 0.980 657 G HN 1.158 nan 8.290 nan 0.000 0.550 658 S N -0.902 114.775 115.700 -0.038 0.000 2.554 658 S HA 0.482 4.952 4.470 -0.000 0.000 0.226 658 S C 0.625 175.197 174.600 -0.047 0.000 0.980 658 S CA 1.095 59.262 58.200 -0.055 0.000 0.939 658 S CB 0.534 63.712 63.200 -0.036 0.000 0.832 658 S HN 0.899 nan 8.310 nan 0.000 0.486 659 T N 2.494 117.027 114.554 -0.035 0.000 2.780 659 T HA 0.534 4.884 4.350 -0.000 0.000 0.294 659 T C -0.617 174.059 174.700 -0.040 0.000 0.949 659 T CA -0.234 61.855 62.100 -0.017 0.000 1.074 659 T CB 1.429 70.297 68.868 0.001 0.000 0.910 659 T HN 0.261 nan 8.240 nan 0.000 0.501 660 V N 4.102 123.998 119.914 -0.030 0.000 2.680 660 V HA 0.728 4.848 4.120 -0.000 0.000 0.309 660 V C -0.631 175.457 176.094 -0.011 0.000 1.052 660 V CA -0.352 61.899 62.300 -0.081 0.000 0.908 660 V CB 2.408 34.119 31.823 -0.188 0.000 1.001 660 V HN 0.927 nan 8.190 nan 0.000 0.431 661 T N 6.152 120.691 114.554 -0.026 0.000 2.809 661 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 661 T C -1.036 173.734 174.700 0.116 0.000 0.992 661 T CA -0.045 62.124 62.100 0.114 0.000 0.957 661 T CB 0.834 69.793 68.868 0.151 0.000 0.942 661 T HN 0.692 nan 8.240 nan 0.000 0.439 662 W N 1.869 123.263 121.300 0.157 0.000 2.313 662 W HA 0.394 5.054 4.660 -0.000 0.000 0.328 662 W C 0.947 177.488 176.519 0.037 0.000 1.197 662 W CA -0.713 56.694 57.345 0.103 0.000 1.235 662 W CB 0.472 29.941 29.460 0.015 0.000 1.158 662 W HN 0.596 nan 8.180 nan 0.000 0.578 663 E N 1.005 121.204 120.200 -0.000 0.000 2.398 663 E HA 0.275 4.625 4.350 -0.000 0.000 0.263 663 E C 0.659 177.144 176.600 -0.192 0.000 1.046 663 E CA -0.075 55.945 56.400 -0.633 0.000 0.908 663 E CB 0.654 29.883 29.700 -0.785 0.000 0.963 663 E HN 0.631 nan 8.360 nan 0.000 0.431 664 G N 1.429 110.102 108.800 -0.212 0.000 2.563 664 G HA2 0.523 4.483 3.960 -0.000 0.000 0.283 664 G HA3 0.523 4.483 3.960 -0.000 0.000 0.283 664 G C 0.318 175.114 174.900 -0.173 0.000 1.309 664 G CA 0.071 45.107 45.100 -0.107 0.000 1.022 664 G HN 0.883 nan 8.290 nan 0.000 0.501 665 G N -0.968 107.749 108.800 -0.139 0.000 2.542 665 G HA2 0.190 4.150 3.960 -0.000 0.000 0.235 665 G HA3 0.190 4.150 3.960 -0.000 0.000 0.235 665 G C 0.257 175.041 174.900 -0.193 0.000 1.286 665 G CA 0.584 45.588 45.100 -0.160 0.000 0.904 665 G HN 2.017 nan 8.290 nan 0.000 0.577 666 S N 0.036 115.604 115.700 -0.220 0.000 2.664 666 S HA 0.675 5.145 4.470 -0.000 0.000 0.304 666 S C -0.045 174.381 174.600 -0.290 0.000 1.099 666 S CA -0.681 57.388 58.200 -0.217 0.000 1.003 666 S CB 1.616 64.720 63.200 -0.161 0.000 1.092 666 S HN 0.913 nan 8.310 nan 0.000 0.525 667 N N 2.296 120.872 118.700 -0.206 0.000 2.356 667 N HA 0.030 4.770 4.740 -0.000 0.000 0.252 667 N C 0.068 175.423 175.510 -0.259 0.000 1.241 667 N CA 0.524 53.486 53.050 -0.147 0.000 0.861 667 N CB -0.166 38.356 38.487 0.058 0.000 1.075 667 N HN 0.598 nan 8.380 nan 0.000 0.461 668 H N 0.643 119.518 119.070 -0.324 0.000 2.597 668 H HA 0.349 4.905 4.556 -0.000 0.000 0.370 668 H C 0.164 175.266 175.328 -0.376 0.000 1.281 668 H CA 0.334 56.089 56.048 -0.488 0.000 1.422 668 H CB 0.913 30.037 29.762 -1.064 0.000 1.524 668 H HN 0.368 nan 8.280 nan 0.000 0.607 669 T N 1.490 116.084 114.554 0.066 0.000 2.894 669 T HA 0.457 4.807 4.350 -0.000 0.000 0.309 669 T C -1.124 173.933 174.700 0.595 0.000 1.208 669 T CA -0.734 61.564 62.100 0.330 0.000 1.016 669 T CB 1.631 70.618 68.868 0.198 0.000 1.192 669 T HN 0.544 nan 8.240 nan 0.000 0.491 670 F N -0.953 119.204 119.950 0.345 0.000 2.807 670 F HA 0.706 5.233 4.527 -0.000 0.000 0.316 670 F C -1.877 174.027 175.800 0.173 0.000 1.162 670 F CA -0.824 57.331 58.000 0.258 0.000 0.910 670 F CB 0.823 39.997 39.000 0.290 0.000 1.314 670 F HN 0.456 nan 8.300 nan 0.000 0.454 671 T N 2.670 116.982 114.554 -0.404 0.000 2.809 671 T HA 0.772 5.122 4.350 -0.000 0.000 0.284 671 T C -0.129 174.278 174.700 -0.488 0.000 0.992 671 T CA -0.126 61.687 62.100 -0.479 0.000 0.957 671 T CB 1.166 69.950 68.868 -0.140 0.000 0.942 671 T HN 0.960 nan 8.240 nan 0.000 0.439 672 A N 5.734 128.198 122.820 -0.594 0.000 2.483 672 A HA 0.539 4.859 4.320 -0.000 0.000 0.238 672 A C -2.034 175.533 177.584 -0.028 0.000 1.070 672 A CA -0.983 50.948 52.037 -0.177 0.000 0.770 672 A CB -0.345 18.587 19.000 -0.113 0.000 1.008 672 A HN 0.494 nan 8.150 nan 0.000 0.497 673 P HA 0.165 nan 4.420 nan 0.000 0.273 673 P C 0.489 177.810 177.300 0.035 0.000 1.250 673 P CA -0.163 62.969 63.100 0.053 0.000 0.793 673 P CB 0.666 32.412 31.700 0.076 0.000 1.011 674 S N -1.386 114.333 115.700 0.031 0.000 2.501 674 S HA 0.103 4.573 4.470 -0.000 0.000 0.220 674 S C 0.793 175.412 174.600 0.032 0.000 0.997 674 S CA 0.477 58.691 58.200 0.024 0.000 0.919 674 S CB -0.263 62.948 63.200 0.019 0.000 0.778 674 S HN 0.777 nan 8.310 nan 0.000 0.523 675 S N -1.170 114.557 115.700 0.045 0.000 2.627 675 S HA 0.620 5.090 4.470 -0.000 0.000 0.268 675 S C -0.143 174.501 174.600 0.074 0.000 1.130 675 S CA -0.295 57.938 58.200 0.054 0.000 0.819 675 S CB 0.673 63.898 63.200 0.042 0.000 1.100 675 S HN 1.075 nan 8.310 nan 0.000 0.465 676 G N 0.710 109.566 108.800 0.095 0.000 2.741 676 G HA2 0.263 4.223 3.960 -0.000 0.000 0.222 676 G HA3 0.263 4.223 3.960 -0.000 0.000 0.222 676 G C 0.009 174.986 174.900 0.127 0.000 1.364 676 G CA 0.494 45.660 45.100 0.110 0.000 0.866 676 G HN 2.370 nan 8.290 nan 0.000 0.555 677 T N -2.541 112.086 114.554 0.123 0.000 2.870 677 T HA 1.055 5.405 4.350 -0.000 0.000 0.277 677 T C 0.215 174.969 174.700 0.090 0.000 1.000 677 T CA 0.496 62.673 62.100 0.129 0.000 0.982 677 T CB 1.840 70.797 68.868 0.148 0.000 1.249 677 T HN 2.690 nan 8.240 nan 0.000 0.589 678 A N -0.173 122.689 122.820 0.070 0.000 2.586 678 A HA 0.715 5.035 4.320 -0.000 0.000 0.290 678 A C -0.861 176.700 177.584 -0.039 0.000 1.086 678 A CA -0.935 51.119 52.037 0.028 0.000 0.665 678 A CB 1.207 20.238 19.000 0.051 0.000 1.279 678 A HN 0.932 nan 8.150 nan 0.000 0.423 679 T N 1.378 115.890 114.554 -0.070 0.000 2.881 679 T HA 0.570 4.919 4.350 -0.000 0.000 0.291 679 T C -0.788 173.799 174.700 -0.187 0.000 0.990 679 T CA -0.020 62.007 62.100 -0.121 0.000 0.976 679 T CB 0.537 69.390 68.868 -0.024 0.000 0.970 679 T HN 0.484 nan 8.240 nan 0.000 0.438 680 I N 3.623 123.981 120.570 -0.354 0.000 2.330 680 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 680 I C -0.049 175.970 176.117 -0.163 0.000 1.001 680 I CA -0.827 60.272 61.300 -0.335 0.000 1.193 680 I CB 1.026 38.561 38.000 -0.776 0.000 1.345 680 I HN 0.384 nan 8.210 nan 0.000 0.461 681 N N 6.727 125.387 118.700 -0.066 0.000 2.417 681 N HA 0.608 5.348 4.740 -0.000 0.000 0.274 681 N C -0.977 174.538 175.510 0.008 0.000 0.987 681 N CA -0.229 52.795 53.050 -0.042 0.000 0.912 681 N CB 2.100 40.566 38.487 -0.036 0.000 1.177 681 N HN 0.498 nan 8.380 nan 0.000 0.490 682 V N 0.926 120.841 119.914 0.002 0.000 3.181 682 V HA 0.688 4.808 4.120 -0.000 0.000 0.308 682 V C -0.622 175.472 176.094 0.001 0.000 1.214 682 V CA -1.099 61.203 62.300 0.002 0.000 1.053 682 V CB 2.095 33.852 31.823 -0.111 0.000 1.069 682 V HN 0.474 nan 8.190 nan 0.000 0.441 683 N N 1.206 119.949 118.700 0.072 0.000 2.456 683 N HA 0.273 5.013 4.740 -0.000 0.000 0.296 683 N C -0.920 174.711 175.510 0.203 0.000 1.102 683 N CA -0.302 52.819 53.050 0.119 0.000 0.924 683 N CB 1.997 40.559 38.487 0.125 0.000 1.186 683 N HN 1.016 nan 8.380 nan 0.000 0.492 684 W N 2.186 123.501 121.300 0.025 0.000 2.253 684 W HA 0.083 4.743 4.660 -0.000 0.000 0.322 684 W C -0.794 175.798 176.519 0.121 0.000 1.342 684 W CA 0.003 57.394 57.345 0.076 0.000 1.218 684 W CB 0.324 29.781 29.460 -0.005 0.000 1.205 684 W HN 0.433 nan 8.180 nan 0.000 0.551 685 Q N 8.062 127.635 119.800 -0.379 0.000 2.303 685 Q HA 0.263 4.603 4.340 -0.000 0.000 0.257 685 Q C -1.895 173.917 176.000 -0.313 0.000 0.941 685 Q CA -1.733 53.935 55.803 -0.226 0.000 0.931 685 Q CB 1.500 30.116 28.738 -0.203 0.000 1.215 685 Q HN 0.209 nan 8.270 nan 0.000 0.437 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.257 63.100 0.262 0.000 0.800 686 P CB 0.000 31.855 31.700 0.258 0.000 0.726