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 1cgx_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 YKNLLDLADL 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 0.000 177.562 177.584 -0.037 0.000 1.274 1 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 1 A CB 0.000 18.967 19.000 -0.055 0.000 0.831 2 P HA 0.267 nan 4.420 nan 0.000 0.276 2 P C 0.079 177.339 177.300 -0.067 0.000 1.244 2 P CA 0.115 63.184 63.100 -0.050 0.000 0.801 2 P CB 0.564 32.231 31.700 -0.055 0.000 1.006 3 D N 0.189 120.553 120.400 -0.060 0.000 2.203 3 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 3 D C 1.090 177.323 176.300 -0.111 0.000 0.997 3 D CA 2.295 56.257 54.000 -0.063 0.000 0.863 3 D CB -1.654 39.140 40.800 -0.010 0.000 0.928 3 D HN 0.461 nan 8.370 nan 0.000 0.458 4 T N -2.490 111.994 114.554 -0.118 0.000 3.148 4 T HA 0.026 4.375 4.350 -0.000 0.000 0.253 4 T C 1.065 175.667 174.700 -0.164 0.000 1.134 4 T CA 0.182 62.189 62.100 -0.156 0.000 1.051 4 T CB -0.378 68.405 68.868 -0.141 0.000 0.959 4 T HN 0.258 nan 8.240 nan 0.000 0.525 5 S N 0.591 116.204 115.700 -0.145 0.000 2.572 5 S HA 0.176 4.646 4.470 -0.000 0.000 0.279 5 S C 1.470 175.957 174.600 -0.188 0.000 1.341 5 S CA -0.447 57.667 58.200 -0.145 0.000 1.043 5 S CB 1.277 64.408 63.200 -0.115 0.000 0.887 5 S HN 0.169 nan 8.310 nan 0.000 0.516 6 V N 4.055 123.861 119.914 -0.181 0.000 2.828 6 V HA -0.105 4.015 4.120 -0.000 0.000 0.260 6 V C 2.263 178.202 176.094 -0.259 0.000 1.101 6 V CA 2.545 64.718 62.300 -0.211 0.000 1.123 6 V CB -1.010 30.715 31.823 -0.163 0.000 0.704 6 V HN 1.067 nan 8.190 nan 0.000 0.493 7 S N -0.459 115.108 115.700 -0.222 0.000 2.593 7 S HA 0.052 4.522 4.470 -0.000 0.000 0.217 7 S C 1.050 175.549 174.600 -0.167 0.000 0.966 7 S CA 0.192 58.264 58.200 -0.213 0.000 0.914 7 S CB -0.591 62.510 63.200 -0.164 0.000 0.776 7 S HN 0.598 nan 8.310 nan 0.000 0.523 8 N N 2.702 121.289 118.700 -0.189 0.000 2.671 8 N HA 0.164 4.904 4.740 -0.000 0.000 0.274 8 N C 0.312 175.720 175.510 -0.169 0.000 1.188 8 N CA 0.033 52.985 53.050 -0.165 0.000 1.065 8 N CB 0.182 38.561 38.487 -0.180 0.000 1.415 8 N HN 0.453 nan 8.380 nan 0.000 0.511 9 K N 1.405 121.781 120.400 -0.041 0.000 2.525 9 K HA -0.029 4.291 4.320 -0.000 0.000 0.192 9 K C 0.531 177.291 176.600 0.267 0.000 1.029 9 K CA 0.574 56.934 56.287 0.122 0.000 1.029 9 K CB 0.448 33.037 32.500 0.148 0.000 0.814 9 K HN 0.389 nan 8.250 nan 0.000 0.503 10 Q N -0.018 119.885 119.800 0.171 0.000 2.317 10 Q HA 0.105 4.445 4.340 -0.000 0.000 0.220 10 Q C -0.423 175.758 176.000 0.300 0.000 0.873 10 Q CA 0.140 56.110 55.803 0.279 0.000 0.936 10 Q CB 0.636 29.494 28.738 0.200 0.000 1.105 10 Q HN 0.067 nan 8.270 nan 0.000 0.520 11 N N -0.732 117.987 118.700 0.032 0.000 2.371 11 N HA 0.203 4.943 4.740 -0.000 0.000 0.291 11 N C -1.314 173.953 175.510 -0.405 0.000 1.053 11 N CA -0.306 52.575 53.050 -0.281 0.000 0.870 11 N CB 0.630 38.869 38.487 -0.413 0.000 1.503 11 N HN -0.129 nan 8.380 nan 0.000 0.485 12 F N 1.005 120.496 119.950 -0.765 0.000 2.706 12 F HA 0.292 4.819 4.527 -0.000 0.000 0.313 12 F C 1.929 177.417 175.800 -0.520 0.000 1.096 12 F CA -0.089 57.502 58.000 -0.683 0.000 1.219 12 F CB 0.397 38.822 39.000 -0.959 0.000 1.051 12 F HN 0.434 nan 8.300 nan 0.000 0.568 13 S N -0.441 115.049 115.700 -0.351 0.000 2.440 13 S HA -0.190 4.279 4.470 -0.000 0.000 0.238 13 S C 2.139 176.516 174.600 -0.371 0.000 1.010 13 S CA 1.935 59.949 58.200 -0.311 0.000 0.972 13 S CB -0.601 62.450 63.200 -0.248 0.000 0.774 13 S HN 0.545 nan 8.310 nan 0.000 0.501 14 T N -0.814 113.507 114.554 -0.389 0.000 3.107 14 T HA 0.147 4.497 4.350 -0.000 0.000 0.249 14 T C 0.124 174.657 174.700 -0.279 0.000 1.096 14 T CA -0.258 61.622 62.100 -0.366 0.000 1.012 14 T CB 0.024 68.679 68.868 -0.355 0.000 0.977 14 T HN 0.092 nan 8.240 nan 0.000 0.527 15 D N 0.861 121.108 120.400 -0.255 0.000 2.440 15 D HA 0.530 5.170 4.640 -0.000 0.000 0.258 15 D C -0.812 175.425 176.300 -0.106 0.000 1.092 15 D CA -0.494 53.399 54.000 -0.179 0.000 1.016 15 D CB 2.413 43.108 40.800 -0.176 0.000 1.141 15 D HN 0.028 nan 8.370 nan 0.000 0.552 16 V N 1.675 121.557 119.914 -0.054 0.000 2.443 16 V HA 0.315 4.435 4.120 -0.000 0.000 0.293 16 V C 0.146 176.284 176.094 0.074 0.000 1.021 16 V CA -0.679 61.613 62.300 -0.013 0.000 0.848 16 V CB 1.399 33.198 31.823 -0.041 0.000 0.998 16 V HN 0.347 nan 8.190 nan 0.000 0.424 17 I N 4.528 125.174 120.570 0.126 0.000 2.428 17 I HA 0.333 4.502 4.170 -0.000 0.000 0.289 17 I C -0.805 175.478 176.117 0.276 0.000 1.019 17 I CA -0.495 60.943 61.300 0.231 0.000 1.351 17 I CB 0.914 39.072 38.000 0.265 0.000 1.412 17 I HN 0.600 nan 8.210 nan 0.000 0.513 18 Y N 6.122 126.512 120.300 0.149 0.000 2.388 18 Y HA 0.230 4.780 4.550 -0.000 0.000 0.328 18 Y C 0.036 176.000 175.900 0.108 0.000 0.963 18 Y CA -0.508 57.654 58.100 0.103 0.000 1.240 18 Y CB 0.922 39.404 38.460 0.036 0.000 1.118 18 Y HN 0.504 nan 8.280 nan 0.000 0.484 19 Q N 6.808 126.510 119.800 -0.163 0.000 2.307 19 Q HA 0.425 4.765 4.340 -0.000 0.000 0.259 19 Q C -1.326 174.501 176.000 -0.289 0.000 0.998 19 Q CA -0.100 55.521 55.803 -0.304 0.000 0.923 19 Q CB 0.507 28.925 28.738 -0.533 0.000 1.196 19 Q HN 0.788 nan 8.270 nan 0.000 0.416 20 I N 3.494 123.893 120.570 -0.285 0.000 2.509 20 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 20 I C -0.878 175.098 176.117 -0.234 0.000 1.020 20 I CA -0.844 60.271 61.300 -0.309 0.000 1.088 20 I CB 1.408 39.181 38.000 -0.379 0.000 1.267 20 I HN 0.545 nan 8.210 nan 0.000 0.430 21 F N 4.399 124.044 119.950 -0.508 0.000 2.350 21 F HA 0.210 4.737 4.527 -0.000 0.000 0.365 21 F C 1.610 177.228 175.800 -0.304 0.000 1.122 21 F CA -0.247 57.566 58.000 -0.311 0.000 1.139 21 F CB 1.019 39.926 39.000 -0.156 0.000 1.220 21 F HN 0.525 nan 8.300 nan 0.000 0.499 22 T N 1.286 115.668 114.554 -0.287 0.000 2.653 22 T HA -0.304 4.046 4.350 -0.000 0.000 0.268 22 T C 1.691 176.355 174.700 -0.060 0.000 1.035 22 T CA 2.076 64.022 62.100 -0.257 0.000 1.154 22 T CB -0.198 68.274 68.868 -0.661 0.000 0.862 22 T HN 0.547 nan 8.240 nan 0.000 0.441 23 D N 0.629 121.049 120.400 0.034 0.000 2.149 23 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 23 D C 2.011 178.417 176.300 0.177 0.000 0.990 23 D CA 0.795 54.925 54.000 0.217 0.000 0.839 23 D CB 0.067 41.072 40.800 0.342 0.000 0.948 23 D HN 0.132 nan 8.370 nan 0.000 0.460 24 R N -0.645 119.941 120.500 0.143 0.000 2.334 24 R HA 0.080 4.420 4.340 -0.000 0.000 0.220 24 R C 1.190 177.538 176.300 0.080 0.000 0.917 24 R CA -0.118 56.036 56.100 0.090 0.000 1.073 24 R CB -0.475 29.888 30.300 0.105 0.000 1.056 24 R HN 0.301 nan 8.270 nan 0.000 0.506 25 F N 0.497 120.403 119.950 -0.073 0.000 2.204 25 F HA 0.211 4.738 4.527 -0.000 0.000 0.276 25 F C 0.424 176.327 175.800 0.172 0.000 1.085 25 F CA 0.454 58.468 58.000 0.023 0.000 1.160 25 F CB 0.286 39.290 39.000 0.007 0.000 1.091 25 F HN -0.177 nan 8.300 nan 0.000 0.522 26 S N -0.003 115.779 115.700 0.138 0.000 2.649 26 S HA 0.200 4.670 4.470 -0.000 0.000 0.274 26 S C -1.682 172.984 174.600 0.109 0.000 1.176 26 S CA -0.809 57.423 58.200 0.053 0.000 0.988 26 S CB 0.689 63.846 63.200 -0.072 0.000 1.071 26 S HN 0.264 nan 8.310 nan 0.000 0.478 27 D N 3.861 124.319 120.400 0.096 0.000 2.508 27 D HA 0.321 4.961 4.640 -0.000 0.000 0.224 27 D C 1.310 177.656 176.300 0.076 0.000 1.171 27 D CA 0.083 54.144 54.000 0.102 0.000 1.006 27 D CB 0.125 40.999 40.800 0.123 0.000 1.073 27 D HN 0.708 nan 8.370 nan 0.000 0.513 28 G N 2.825 111.670 108.800 0.076 0.000 2.744 28 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.211 28 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.211 28 G C 0.676 175.606 174.900 0.051 0.000 1.143 28 G CA -0.232 44.904 45.100 0.061 0.000 0.788 28 G HN 0.490 nan 8.290 nan 0.000 0.534 29 N N -0.614 118.114 118.700 0.047 0.000 2.732 29 N HA 0.249 4.989 4.740 -0.000 0.000 0.247 29 N C -1.869 173.640 175.510 -0.002 0.000 1.305 29 N CA -1.546 51.520 53.050 0.026 0.000 0.762 29 N CB 1.794 40.300 38.487 0.033 0.000 1.361 29 N HN -0.201 nan 8.380 nan 0.000 0.545 30 P HA -0.154 nan 4.420 nan 0.000 0.218 30 P C 1.054 178.298 177.300 -0.093 0.000 1.146 30 P CA 1.176 64.253 63.100 -0.038 0.000 0.813 30 P CB 0.187 31.879 31.700 -0.013 0.000 0.778 31 A N 0.684 123.464 122.820 -0.066 0.000 2.070 31 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 31 A C 1.735 179.253 177.584 -0.111 0.000 1.159 31 A CA 1.867 53.855 52.037 -0.080 0.000 0.656 31 A CB -1.458 17.513 19.000 -0.047 0.000 0.800 31 A HN 0.395 nan 8.150 nan 0.000 0.453 32 N N -0.336 118.297 118.700 -0.112 0.000 2.280 32 N HA 0.013 4.753 4.740 -0.000 0.000 0.192 32 N C -0.521 174.857 175.510 -0.219 0.000 1.109 32 N CA -0.231 52.736 53.050 -0.138 0.000 0.855 32 N CB -0.507 37.919 38.487 -0.103 0.000 0.974 32 N HN 0.210 nan 8.380 nan 0.000 0.482 33 N N 2.397 120.928 118.700 -0.283 0.000 2.458 33 N HA 0.145 4.884 4.740 -0.000 0.000 0.258 33 N C -2.237 172.937 175.510 -0.560 0.000 1.219 33 N CA -0.836 51.927 53.050 -0.479 0.000 0.902 33 N CB 0.061 38.079 38.487 -0.782 0.000 1.076 33 N HN 0.209 nan 8.380 nan 0.000 0.455 34 P HA 0.079 nan 4.420 nan 0.000 0.271 34 P C 0.035 177.114 177.300 -0.369 0.000 1.244 34 P CA -0.102 62.765 63.100 -0.389 0.000 0.793 34 P CB 0.400 31.880 31.700 -0.367 0.000 0.984 35 T N -3.330 111.132 114.554 -0.154 0.000 2.926 35 T HA 0.676 5.025 4.350 -0.000 0.000 0.289 35 T C 0.519 175.257 174.700 0.064 0.000 1.054 35 T CA -0.017 62.044 62.100 -0.066 0.000 1.015 35 T CB 1.364 70.179 68.868 -0.088 0.000 1.167 35 T HN 0.742 nan 8.240 nan 0.000 0.526 36 G N 1.018 109.876 108.800 0.097 0.000 2.547 36 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.271 36 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.271 36 G C 1.122 176.104 174.900 0.137 0.000 1.209 36 G CA 0.552 45.711 45.100 0.098 0.000 0.959 36 G HN 1.883 nan 8.290 nan 0.000 0.563 37 A N -0.172 122.710 122.820 0.103 0.000 2.248 37 A HA 0.472 4.792 4.320 -0.000 0.000 0.210 37 A C 2.450 180.119 177.584 0.142 0.000 1.174 37 A CA 2.384 54.484 52.037 0.104 0.000 0.750 37 A CB -0.582 18.464 19.000 0.077 0.000 0.780 37 A HN 2.229 nan 8.150 nan 0.000 0.478 38 A N -1.978 120.956 122.820 0.190 0.000 2.348 38 A HA 0.544 4.863 4.320 -0.000 0.000 0.224 38 A C 0.130 177.940 177.584 0.377 0.000 1.227 38 A CA -0.119 52.078 52.037 0.266 0.000 0.885 38 A CB -0.044 19.107 19.000 0.251 0.000 0.933 38 A HN 0.449 nan 8.150 nan 0.000 0.506 39 F N -0.114 119.901 119.950 0.108 0.000 2.551 39 F HA 0.614 5.141 4.527 -0.000 0.000 0.316 39 F C -1.580 174.261 175.800 0.069 0.000 1.089 39 F CA -1.534 56.526 58.000 0.101 0.000 0.915 39 F CB 1.943 40.971 39.000 0.046 0.000 1.186 39 F HN -0.014 nan 8.300 nan 0.000 0.456 40 D N 3.120 122.991 120.400 -0.883 0.000 2.336 40 D HA 0.270 4.909 4.640 -0.000 0.000 0.248 40 D C 0.796 176.556 176.300 -0.900 0.000 1.326 40 D CA -0.104 53.499 54.000 -0.661 0.000 0.973 40 D CB 1.140 41.769 40.800 -0.284 0.000 1.255 40 D HN 0.710 nan 8.370 nan 0.000 0.558 41 G N 1.730 109.962 108.800 -0.946 0.000 2.498 41 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.219 41 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.219 41 G C 1.286 176.065 174.900 -0.201 0.000 1.119 41 G CA 1.405 46.223 45.100 -0.469 0.000 0.766 41 G HN 0.539 nan 8.290 nan 0.000 0.552 42 T N -4.100 110.337 114.554 -0.194 0.000 3.067 42 T HA 0.041 4.390 4.350 -0.000 0.000 0.257 42 T C 1.286 175.917 174.700 -0.115 0.000 1.105 42 T CA 0.575 62.608 62.100 -0.112 0.000 1.104 42 T CB -0.408 68.409 68.868 -0.085 0.000 0.925 42 T HN 0.596 nan 8.240 nan 0.000 0.498 43 c N 1.899 120.399 118.600 -0.168 0.000 4.300 43 c HA -0.183 4.386 4.570 -0.000 0.000 0.304 43 c C 1.426 175.454 174.090 -0.103 0.000 1.367 43 c CA 0.943 57.188 56.329 -0.141 0.000 2.032 43 c CB -2.665 39.786 42.510 -0.099 0.000 1.285 43 c HN 0.783 nan 8.230 nan 0.000 0.737 44 T N -0.406 114.088 114.554 -0.100 0.000 3.040 44 T HA 0.031 4.381 4.350 -0.000 0.000 0.252 44 T C 0.685 175.344 174.700 -0.067 0.000 1.064 44 T CA 0.974 63.033 62.100 -0.069 0.000 1.110 44 T CB -0.138 68.696 68.868 -0.057 0.000 0.921 44 T HN 0.701 nan 8.240 nan 0.000 0.480 45 N N 2.079 120.728 118.700 -0.085 0.000 2.500 45 N HA 0.212 4.952 4.740 -0.000 0.000 0.236 45 N C 0.735 176.175 175.510 -0.115 0.000 1.022 45 N CA -0.280 52.725 53.050 -0.074 0.000 0.935 45 N CB 0.352 38.807 38.487 -0.053 0.000 1.147 45 N HN 0.207 nan 8.380 nan 0.000 0.512 46 L N 2.500 123.658 121.223 -0.109 0.000 2.549 46 L HA -0.031 4.309 4.340 -0.000 0.000 0.230 46 L C 1.499 178.189 176.870 -0.301 0.000 1.162 46 L CA 0.755 55.488 54.840 -0.178 0.000 0.834 46 L CB -0.031 41.965 42.059 -0.105 0.000 0.947 46 L HN 0.401 nan 8.230 nan 0.000 0.452 47 R N -1.277 119.123 120.500 -0.168 0.000 2.334 47 R HA 0.155 4.495 4.340 -0.000 0.000 0.216 47 R C -0.018 176.236 176.300 -0.077 0.000 0.905 47 R CA -0.138 55.912 56.100 -0.084 0.000 1.064 47 R CB 0.391 30.750 30.300 0.099 0.000 1.046 47 R HN 0.073 nan 8.270 nan 0.000 0.508 48 L N -1.091 120.046 121.223 -0.143 0.000 2.491 48 L HA 0.332 4.672 4.340 -0.000 0.000 0.264 48 L C -0.125 176.697 176.870 -0.079 0.000 1.053 48 L CA -1.247 53.580 54.840 -0.023 0.000 0.858 48 L CB -0.034 42.039 42.059 0.023 0.000 1.519 48 L HN -0.115 nan 8.230 nan 0.000 0.508 49 Y N -1.123 119.220 120.300 0.072 0.000 2.310 49 Y HA 0.182 4.732 4.550 -0.000 0.000 0.326 49 Y C 0.964 176.896 175.900 0.054 0.000 1.151 49 Y CA -0.055 58.139 58.100 0.157 0.000 1.195 49 Y CB 1.138 39.784 38.460 0.310 0.000 1.210 49 Y HN 0.440 nan 8.280 nan 0.000 0.483 50 c N 0.531 119.276 118.600 0.242 0.000 2.912 50 c HA 0.333 4.903 4.570 -0.000 0.000 0.274 50 c C 1.615 175.913 174.090 0.346 0.000 1.248 50 c CA 0.304 56.680 56.329 0.079 0.000 1.694 50 c CB -0.420 42.089 42.510 -0.002 0.000 2.024 50 c HN 1.228 nan 8.230 nan 0.000 0.605 51 G N 0.632 109.742 108.800 0.518 0.000 2.144 51 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.218 51 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.218 51 G C 0.325 175.378 174.900 0.255 0.000 0.988 51 G CA -0.058 45.304 45.100 0.437 0.000 0.659 51 G HN 0.807 nan 8.290 nan 0.000 0.522 52 G N 0.233 109.176 108.800 0.238 0.000 2.491 52 G HA2 0.580 4.540 3.960 -0.000 0.000 0.242 52 G HA3 0.580 4.540 3.960 -0.000 0.000 0.242 52 G C 0.039 175.019 174.900 0.134 0.000 1.266 52 G CA 0.961 46.165 45.100 0.173 0.000 0.844 52 G HN 1.052 nan 8.290 nan 0.000 0.571 53 D N -1.031 119.427 120.400 0.098 0.000 2.825 53 D HA 0.201 4.840 4.640 -0.000 0.000 0.327 53 D C 0.535 176.893 176.300 0.097 0.000 1.277 53 D CA -0.845 53.155 54.000 0.000 0.000 0.950 53 D CB 0.163 40.967 40.800 0.007 0.000 1.438 53 D HN 0.305 nan 8.370 nan 0.000 0.526 54 W N -0.341 121.034 121.300 0.124 0.000 2.358 54 W HA -0.062 4.598 4.660 -0.000 0.000 0.303 54 W C 2.180 178.744 176.519 0.076 0.000 1.208 54 W CA 1.211 58.613 57.345 0.094 0.000 1.274 54 W CB -1.053 28.482 29.460 0.126 0.000 1.138 54 W HN 0.538 nan 8.180 nan 0.000 0.515 55 Q N 0.261 120.227 119.800 0.277 0.000 2.061 55 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 55 Q C 2.439 178.523 176.000 0.140 0.000 0.984 55 Q CA 2.622 58.529 55.803 0.174 0.000 0.846 55 Q CB -1.162 27.651 28.738 0.124 0.000 0.902 55 Q HN 0.173 nan 8.270 nan 0.000 0.421 56 G N 0.560 109.447 108.800 0.146 0.000 2.476 56 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 56 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 56 G C 1.470 176.476 174.900 0.175 0.000 1.164 56 G CA 1.154 46.330 45.100 0.127 0.000 0.768 56 G HN 0.437 nan 8.290 nan 0.000 0.560 57 I N 0.551 121.284 120.570 0.272 0.000 2.127 57 I HA -0.203 3.967 4.170 -0.000 0.000 0.241 57 I C 2.726 178.945 176.117 0.170 0.000 1.075 57 I CA 1.037 62.514 61.300 0.294 0.000 1.334 57 I CB -0.329 37.815 38.000 0.240 0.000 1.040 57 I HN 0.143 nan 8.210 nan 0.000 0.405 58 I N 0.983 121.628 120.570 0.125 0.000 2.194 58 I HA -0.348 3.822 4.170 -0.000 0.000 0.246 58 I C 2.278 178.423 176.117 0.046 0.000 1.093 58 I CA 1.439 62.779 61.300 0.065 0.000 1.355 58 I CB -0.573 37.465 38.000 0.063 0.000 1.046 58 I HN 0.357 nan 8.210 nan 0.000 0.413 59 N N 0.833 119.560 118.700 0.045 0.000 2.120 59 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 59 N C 1.744 177.232 175.510 -0.037 0.000 1.024 59 N CA 1.157 54.206 53.050 -0.002 0.000 0.852 59 N CB -0.295 38.180 38.487 -0.020 0.000 1.003 59 N HN 0.219 nan 8.380 nan 0.000 0.424 60 K N 1.035 121.418 120.400 -0.029 0.000 2.283 60 K HA 0.079 4.399 4.320 -0.000 0.000 0.202 60 K C 2.061 178.680 176.600 0.032 0.000 1.048 60 K CA 0.244 56.493 56.287 -0.064 0.000 0.948 60 K CB -0.347 32.148 32.500 -0.009 0.000 0.742 60 K HN 0.317 nan 8.250 nan 0.000 0.458 61 I N 0.717 121.314 120.570 0.044 0.000 2.233 61 I HA -0.262 3.907 4.170 -0.000 0.000 0.243 61 I C 1.431 177.552 176.117 0.007 0.000 1.093 61 I CA 1.163 62.478 61.300 0.024 0.000 1.380 61 I CB -0.178 37.830 38.000 0.014 0.000 1.067 61 I HN 0.255 nan 8.210 nan 0.000 0.413 62 N N 0.646 119.347 118.700 0.002 0.000 2.331 62 N HA -0.175 4.565 4.740 -0.000 0.000 0.180 62 N C 0.886 176.392 175.510 -0.006 0.000 1.019 62 N CA 1.093 54.141 53.050 -0.003 0.000 0.881 62 N CB -0.020 38.465 38.487 -0.003 0.000 0.972 62 N HN 0.430 nan 8.380 nan 0.000 0.435 63 D N -0.435 119.956 120.400 -0.015 0.000 2.328 63 D HA 0.091 4.731 4.640 -0.000 0.000 0.226 63 D C 1.183 177.491 176.300 0.012 0.000 1.066 63 D CA 0.232 54.223 54.000 -0.015 0.000 0.861 63 D CB -0.249 40.524 40.800 -0.045 0.000 0.912 63 D HN 0.198 nan 8.370 nan 0.000 0.521 64 G N -0.173 108.640 108.800 0.023 0.000 2.184 64 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.264 64 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.264 64 G C 0.642 175.592 174.900 0.083 0.000 0.975 64 G CA 0.442 45.565 45.100 0.038 0.000 0.642 64 G HN 0.388 nan 8.290 nan 0.000 0.536 65 Y N 0.790 121.070 120.300 -0.033 0.000 2.097 65 Y HA 0.007 4.557 4.550 -0.000 0.000 0.282 65 Y C 2.649 178.596 175.900 0.078 0.000 1.152 65 Y CA 2.525 60.641 58.100 0.027 0.000 1.136 65 Y CB -0.358 38.047 38.460 -0.091 0.000 0.975 65 Y HN 0.309 nan 8.280 nan 0.000 0.498 66 L N -0.914 120.255 121.223 -0.090 0.000 2.095 66 L HA -0.147 4.193 4.340 -0.000 0.000 0.204 66 L C 2.591 179.340 176.870 -0.202 0.000 1.080 66 L CA 1.676 56.364 54.840 -0.252 0.000 0.759 66 L CB -1.180 40.773 42.059 -0.177 0.000 0.914 66 L HN 0.311 nan 8.230 nan 0.000 0.439 67 T N -2.727 111.766 114.554 -0.102 0.000 2.867 67 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 67 T C 1.980 176.628 174.700 -0.086 0.000 1.057 67 T CA 1.003 63.052 62.100 -0.085 0.000 1.136 67 T CB -0.946 67.895 68.868 -0.045 0.000 0.874 67 T HN 0.377 nan 8.240 nan 0.000 0.466 68 G N 0.822 109.596 108.800 -0.043 0.000 2.422 68 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.218 68 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.218 68 G C 1.533 176.384 174.900 -0.082 0.000 1.146 68 G CA 0.729 45.844 45.100 0.026 0.000 0.769 68 G HN 0.512 nan 8.290 nan 0.000 0.547 69 M N 0.122 119.534 119.600 -0.314 0.000 2.476 69 M HA 0.176 4.656 4.480 -0.000 0.000 0.262 69 M C 1.823 177.889 176.300 -0.390 0.000 1.079 69 M CA 1.187 56.066 55.300 -0.701 0.000 1.104 69 M CB 0.194 32.290 32.600 -0.839 0.000 1.409 69 M HN 0.390 nan 8.290 nan 0.000 0.467 70 G N 0.156 108.810 108.800 -0.244 0.000 2.157 70 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.239 70 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.239 70 G C 0.037 174.843 174.900 -0.156 0.000 0.982 70 G CA 0.089 45.083 45.100 -0.177 0.000 0.650 70 G HN 0.332 nan 8.290 nan 0.000 0.527 71 V N 1.275 121.086 119.914 -0.173 0.000 2.843 71 V HA 0.472 4.592 4.120 -0.000 0.000 0.305 71 V C 1.652 177.702 176.094 -0.073 0.000 1.065 71 V CA 1.609 63.845 62.300 -0.107 0.000 1.116 71 V CB 1.483 33.218 31.823 -0.146 0.000 0.968 71 V HN 0.942 nan 8.190 nan 0.000 0.487 72 T N -0.049 114.485 114.554 -0.034 0.000 3.144 72 T HA 0.673 5.023 4.350 -0.000 0.000 0.290 72 T C -0.131 174.573 174.700 0.006 0.000 0.966 72 T CA 0.393 62.468 62.100 -0.042 0.000 0.907 72 T CB 0.378 69.189 68.868 -0.094 0.000 1.152 72 T HN 1.170 nan 8.240 nan 0.000 0.532 73 A N 1.420 124.291 122.820 0.084 0.000 2.604 73 A HA 0.777 5.097 4.320 -0.000 0.000 0.295 73 A C -1.463 176.254 177.584 0.221 0.000 1.067 73 A CA -1.175 50.973 52.037 0.185 0.000 0.683 73 A CB 1.063 20.256 19.000 0.322 0.000 1.281 73 A HN 0.825 nan 8.150 nan 0.000 0.407 74 I N -2.311 118.401 120.570 0.236 0.000 2.647 74 I HA 0.841 5.011 4.170 -0.000 0.000 0.295 74 I C -1.072 175.244 176.117 0.332 0.000 1.078 74 I CA -0.686 60.762 61.300 0.248 0.000 1.048 74 I CB 2.052 40.134 38.000 0.137 0.000 1.239 74 I HN 0.766 nan 8.210 nan 0.000 0.421 75 W N 8.838 130.216 121.300 0.130 0.000 2.362 75 W HA 0.756 5.415 4.660 -0.000 0.000 0.316 75 W C -1.265 175.291 176.519 0.063 0.000 1.024 75 W CA -1.877 55.545 57.345 0.128 0.000 1.270 75 W CB 0.788 30.368 29.460 0.201 0.000 1.273 75 W HN 0.675 nan 8.180 nan 0.000 0.424 76 I N 2.511 123.274 120.570 0.321 0.000 2.947 76 I HA 0.660 4.830 4.170 -0.000 0.000 0.314 76 I C 0.318 176.453 176.117 0.031 0.000 1.028 76 I CA -0.970 60.374 61.300 0.073 0.000 1.077 76 I CB 1.539 39.593 38.000 0.089 0.000 1.274 76 I HN 0.228 nan 8.210 nan 0.000 0.485 77 S N 1.808 117.383 115.700 -0.208 0.000 2.566 77 S HA -0.032 4.438 4.470 -0.000 0.000 0.280 77 S C 0.005 174.544 174.600 -0.102 0.000 1.343 77 S CA -0.382 57.617 58.200 -0.334 0.000 1.036 77 S CB 0.318 63.154 63.200 -0.605 0.000 0.866 77 S HN 0.724 nan 8.310 nan 0.000 0.526 78 Q N 2.929 122.642 119.800 -0.145 0.000 2.239 78 Q HA 0.016 4.356 4.340 -0.000 0.000 0.286 78 Q C -1.658 174.378 176.000 0.060 0.000 1.102 78 Q CA -1.152 54.620 55.803 -0.051 0.000 0.936 78 Q CB 0.536 29.221 28.738 -0.088 0.000 1.127 78 Q HN 0.325 nan 8.270 nan 0.000 0.380 79 P HA -0.046 nan 4.420 nan 0.000 0.241 79 P C 0.421 177.771 177.300 0.083 0.000 1.191 79 P CA 0.297 63.538 63.100 0.235 0.000 0.771 79 P CB -0.184 31.452 31.700 -0.107 0.000 0.929 80 V N -1.902 117.951 119.914 -0.101 0.000 3.185 80 V HA 0.216 4.335 4.120 -0.000 0.000 0.305 80 V C 0.497 176.549 176.094 -0.070 0.000 1.090 80 V CA -0.990 61.312 62.300 0.004 0.000 1.107 80 V CB 0.114 31.910 31.823 -0.045 0.000 1.061 80 V HN -0.036 nan 8.190 nan 0.000 0.480 81 E N 2.472 122.649 120.200 -0.039 0.000 2.417 81 E HA 0.090 4.440 4.350 -0.000 0.000 0.261 81 E C -0.166 176.285 176.600 -0.247 0.000 1.000 81 E CA 0.028 56.346 56.400 -0.136 0.000 0.919 81 E CB 0.237 29.907 29.700 -0.049 0.000 0.955 81 E HN 0.856 nan 8.360 nan 0.000 0.455 82 N N 3.143 121.628 118.700 -0.357 0.000 2.485 82 N HA 0.284 5.024 4.740 -0.000 0.000 0.280 82 N C 0.206 175.435 175.510 -0.468 0.000 1.205 82 N CA -0.651 52.209 53.050 -0.317 0.000 0.959 82 N CB 1.000 39.331 38.487 -0.260 0.000 1.206 82 N HN 0.472 nan 8.380 nan 0.000 0.545 83 I N -1.192 119.247 120.570 -0.220 0.000 2.938 83 I HA -0.005 4.165 4.170 -0.000 0.000 0.285 83 I C 0.028 175.969 176.117 -0.294 0.000 1.182 83 I CA 0.034 61.216 61.300 -0.196 0.000 1.388 83 I CB 0.266 38.245 38.000 -0.035 0.000 1.390 83 I HN 0.581 nan 8.210 nan 0.000 0.600 84 Y N 1.690 121.998 120.300 0.014 0.000 2.458 84 Y HA 0.210 4.760 4.550 -0.000 0.000 0.254 84 Y C 1.457 177.374 175.900 0.028 0.000 1.120 84 Y CA -0.137 57.971 58.100 0.015 0.000 1.282 84 Y CB -0.042 38.400 38.460 -0.030 0.000 1.109 84 Y HN 0.543 nan 8.280 nan 0.000 0.526 85 S N 1.098 116.872 115.700 0.123 0.000 2.572 85 S HA 0.185 4.655 4.470 -0.000 0.000 0.279 85 S C -0.005 174.639 174.600 0.072 0.000 1.341 85 S CA -0.328 57.899 58.200 0.045 0.000 1.043 85 S CB 0.488 63.636 63.200 -0.087 0.000 0.887 85 S HN 0.097 nan 8.310 nan 0.000 0.516 86 I N 2.478 123.085 120.570 0.062 0.000 2.396 86 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 86 I C -0.267 175.856 176.117 0.010 0.000 0.999 86 I CA -0.107 61.249 61.300 0.093 0.000 1.310 86 I CB 0.737 38.794 38.000 0.095 0.000 1.404 86 I HN 0.461 nan 8.210 nan 0.000 0.496 87 I N 5.451 126.035 120.570 0.023 0.000 2.404 87 I HA 0.254 4.424 4.170 -0.000 0.000 0.293 87 I C -0.316 175.727 176.117 -0.123 0.000 0.992 87 I CA -0.578 60.630 61.300 -0.153 0.000 1.149 87 I CB 1.666 39.464 38.000 -0.337 0.000 1.315 87 I HN 0.525 nan 8.210 nan 0.000 0.446 88 N N 4.894 123.506 118.700 -0.145 0.000 2.439 88 N HA 0.248 4.988 4.740 -0.000 0.000 0.249 88 N C -1.360 174.081 175.510 -0.116 0.000 1.003 88 N CA -0.349 52.669 53.050 -0.052 0.000 0.942 88 N CB 0.506 38.996 38.487 0.005 0.000 1.115 88 N HN 0.349 nan 8.380 nan 0.000 0.505 89 Y N 3.064 123.445 120.300 0.135 0.000 2.821 89 Y HA 0.242 4.792 4.550 -0.000 0.000 0.331 89 Y C 0.184 176.126 175.900 0.070 0.000 1.251 89 Y CA -0.646 57.519 58.100 0.109 0.000 1.494 89 Y CB -0.089 38.449 38.460 0.130 0.000 1.493 89 Y HN 0.584 nan 8.280 nan 0.000 0.496 90 S N 1.413 117.216 115.700 0.171 0.000 3.625 90 S HA -0.123 4.346 4.470 -0.000 0.000 0.426 90 S C 1.303 175.960 174.600 0.095 0.000 0.884 90 S CA 0.857 59.122 58.200 0.109 0.000 1.322 90 S CB -1.416 61.846 63.200 0.103 0.000 0.905 90 S HN 1.380 nan 8.310 nan 0.000 0.586 91 G N -1.131 107.716 108.800 0.078 0.000 2.498 91 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.229 91 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.229 91 G C 0.296 175.244 174.900 0.081 0.000 1.156 91 G CA 0.237 45.377 45.100 0.067 0.000 0.680 91 G HN 2.075 nan 8.290 nan 0.000 0.512 92 V N -0.074 119.909 119.914 0.115 0.000 2.583 92 V HA 0.691 4.811 4.120 -0.000 0.000 0.287 92 V C 0.139 176.323 176.094 0.151 0.000 1.051 92 V CA -1.257 61.121 62.300 0.130 0.000 1.010 92 V CB 1.434 33.341 31.823 0.141 0.000 0.988 92 V HN 0.309 nan 8.190 nan 0.000 0.478 93 N N 4.079 122.856 118.700 0.128 0.000 2.472 93 N HA 0.397 5.137 4.740 -0.000 0.000 0.277 93 N C -0.641 174.982 175.510 0.188 0.000 1.081 93 N CA -0.121 53.008 53.050 0.132 0.000 0.973 93 N CB 0.733 39.281 38.487 0.101 0.000 1.105 93 N HN 0.815 nan 8.380 nan 0.000 0.470 94 N N 0.208 119.054 118.700 0.243 0.000 2.249 94 N HA 0.355 5.095 4.740 -0.000 0.000 0.296 94 N C -0.556 175.169 175.510 0.358 0.000 1.051 94 N CA -0.365 52.893 53.050 0.347 0.000 0.815 94 N CB 2.178 41.009 38.487 0.574 0.000 1.487 94 N HN 0.511 nan 8.380 nan 0.000 0.475 95 T N -2.376 112.352 114.554 0.290 0.000 2.949 95 T HA 0.599 4.949 4.350 -0.000 0.000 0.287 95 T C 0.548 175.203 174.700 -0.076 0.000 1.034 95 T CA -0.806 61.428 62.100 0.223 0.000 1.018 95 T CB 1.658 70.653 68.868 0.211 0.000 1.135 95 T HN 0.356 nan 8.240 nan 0.000 0.532 96 A N 0.865 123.560 122.820 -0.208 0.000 2.840 96 A HA 0.295 4.615 4.320 -0.000 0.000 0.269 96 A C 1.155 178.051 177.584 -1.146 0.000 1.439 96 A CA -0.449 51.082 52.037 -0.843 0.000 1.083 96 A CB -1.651 17.234 19.000 -0.193 0.000 1.019 96 A HN 0.950 nan 8.150 nan 0.000 0.607 97 Y N -0.267 119.324 120.300 -1.182 0.000 2.315 97 Y HA -0.295 4.254 4.550 -0.000 0.000 0.288 97 Y C 1.847 177.422 175.900 -0.542 0.000 1.154 97 Y CA 1.707 59.146 58.100 -1.101 0.000 1.229 97 Y CB -1.197 36.768 38.460 -0.825 0.000 0.980 97 Y HN 0.662 nan 8.280 nan 0.000 0.540 98 H N -1.084 117.078 119.070 -1.514 0.000 2.428 98 H HA 0.257 4.813 4.556 -0.000 0.000 0.296 98 H C 2.035 176.761 175.328 -1.003 0.000 1.062 98 H CA 0.443 55.779 56.048 -1.186 0.000 1.350 98 H CB -0.825 28.367 29.762 -0.950 0.000 1.403 98 H HN 0.411 nan 8.280 nan 0.000 0.533 99 G N -0.570 107.808 108.800 -0.703 0.000 2.141 99 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.242 99 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.242 99 G C 0.227 174.929 174.900 -0.329 0.000 0.982 99 G CA 0.366 45.203 45.100 -0.438 0.000 0.662 99 G HN 0.511 nan 8.290 nan 0.000 0.527 100 Y N -1.438 118.907 120.300 0.075 0.000 2.466 100 Y HA 0.370 4.920 4.550 -0.000 0.000 0.272 100 Y C 1.049 177.178 175.900 0.381 0.000 1.169 100 Y CA -0.634 57.535 58.100 0.114 0.000 1.285 100 Y CB 0.295 38.731 38.460 -0.040 0.000 1.078 100 Y HN 0.393 nan 8.280 nan 0.000 0.523 101 W N 1.493 122.930 121.300 0.228 0.000 1.844 101 W HA 0.675 5.335 4.660 -0.000 0.000 0.310 101 W C 0.221 176.715 176.519 -0.043 0.000 0.760 101 W CA -2.119 55.307 57.345 0.135 0.000 2.103 101 W CB -0.700 28.827 29.460 0.112 0.000 2.217 101 W HN -0.157 nan 8.180 nan 0.000 0.408 102 A N 1.915 124.778 122.820 0.071 0.000 2.520 102 A HA 0.255 4.575 4.320 -0.000 0.000 0.235 102 A C 1.549 179.066 177.584 -0.112 0.000 1.065 102 A CA 0.465 52.350 52.037 -0.254 0.000 0.764 102 A CB 0.482 18.931 19.000 -0.919 0.000 1.002 102 A HN 0.623 nan 8.150 nan 0.000 0.502 103 R N 0.127 120.553 120.500 -0.123 0.000 2.492 103 R HA 0.188 4.528 4.340 -0.000 0.000 0.219 103 R C -0.990 175.434 176.300 0.208 0.000 0.886 103 R CA 0.577 56.734 56.100 0.095 0.000 1.003 103 R CB 0.666 31.032 30.300 0.109 0.000 1.345 103 R HN 0.577 nan 8.270 nan 0.000 0.631 104 D N -0.060 120.383 120.400 0.072 0.000 2.470 104 D HA 0.160 4.800 4.640 -0.000 0.000 0.233 104 D C -0.589 175.857 176.300 0.244 0.000 1.372 104 D CA -0.652 53.514 54.000 0.277 0.000 0.994 104 D CB 0.814 41.758 40.800 0.240 0.000 1.377 104 D HN 0.000 nan 8.370 nan 0.000 0.586 105 F N 1.988 122.193 119.950 0.426 0.000 2.771 105 F HA 0.138 4.665 4.527 -0.000 0.000 0.299 105 F C 1.980 178.058 175.800 0.464 0.000 1.177 105 F CA 0.604 58.838 58.000 0.389 0.000 1.450 105 F CB 0.161 39.345 39.000 0.306 0.000 1.114 105 F HN 0.185 nan 8.300 nan 0.000 0.587 106 K N -0.432 120.250 120.400 0.471 0.000 2.358 106 K HA 0.127 4.447 4.320 -0.000 0.000 0.197 106 K C 0.348 177.061 176.600 0.189 0.000 1.025 106 K CA 0.170 56.622 56.287 0.275 0.000 1.104 106 K CB 0.463 33.084 32.500 0.202 0.000 0.855 106 K HN 0.013 nan 8.250 nan 0.000 0.531 107 K N 0.547 121.119 120.400 0.287 0.000 2.395 107 K HA 0.260 4.580 4.320 -0.000 0.000 0.245 107 K C -0.115 176.692 176.600 0.345 0.000 1.017 107 K CA -0.645 55.779 56.287 0.227 0.000 0.852 107 K CB 1.860 34.450 32.500 0.150 0.000 1.311 107 K HN -0.035 nan 8.250 nan 0.000 0.452 108 T N -1.469 113.265 114.554 0.299 0.000 2.902 108 T HA 0.184 4.533 4.350 -0.000 0.000 0.280 108 T C 0.221 174.990 174.700 0.114 0.000 0.992 108 T CA -0.785 61.524 62.100 0.348 0.000 1.015 108 T CB 0.894 70.049 68.868 0.479 0.000 1.044 108 T HN 0.435 nan 8.240 nan 0.000 0.520 109 N N 2.335 121.027 118.700 -0.013 0.000 2.411 109 N HA 0.228 4.968 4.740 -0.000 0.000 0.259 109 N C -1.670 173.673 175.510 -0.279 0.000 1.103 109 N CA -2.360 50.516 53.050 -0.290 0.000 0.954 109 N CB 1.312 39.362 38.487 -0.727 0.000 1.085 109 N HN 0.349 nan 8.380 nan 0.000 0.485 110 P HA -0.061 nan 4.420 nan 0.000 0.222 110 P C 0.790 177.968 177.300 -0.202 0.000 1.147 110 P CA 0.802 63.832 63.100 -0.116 0.000 0.790 110 P CB 0.167 31.849 31.700 -0.030 0.000 0.780 111 A N -1.057 121.575 122.820 -0.313 0.000 1.969 111 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 111 A C 1.978 179.460 177.584 -0.169 0.000 1.169 111 A CA 1.198 53.056 52.037 -0.299 0.000 0.635 111 A CB -1.556 17.173 19.000 -0.453 0.000 0.810 111 A HN 0.070 nan 8.150 nan 0.000 0.445 112 Y N -0.604 119.439 120.300 -0.428 0.000 2.220 112 Y HA 0.345 4.895 4.550 -0.000 0.000 0.291 112 Y C 1.647 176.958 175.900 -0.982 0.000 1.129 112 Y CA 0.251 57.823 58.100 -0.879 0.000 1.161 112 Y CB -0.902 36.727 38.460 -1.385 0.000 0.997 112 Y HN 0.454 nan 8.280 nan 0.000 0.522 113 G N -1.245 107.247 108.800 -0.513 0.000 2.356 113 G HA2 0.307 4.266 3.960 -0.000 0.000 0.288 113 G HA3 0.307 4.266 3.960 -0.000 0.000 0.288 113 G C -0.770 174.242 174.900 0.186 0.000 1.302 113 G CA -0.503 44.555 45.100 -0.071 0.000 0.887 113 G HN 0.232 nan 8.290 nan 0.000 0.521 114 T N -1.526 113.224 114.554 0.326 0.000 2.897 114 T HA 0.585 4.935 4.350 -0.000 0.000 0.278 114 T C 1.742 176.711 174.700 0.449 0.000 0.981 114 T CA -0.313 61.975 62.100 0.312 0.000 0.973 114 T CB 1.024 70.009 68.868 0.195 0.000 1.092 114 T HN 0.567 nan 8.240 nan 0.000 0.543 115 I N 0.607 121.360 120.570 0.306 0.000 2.335 115 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 115 I C 2.891 179.165 176.117 0.261 0.000 1.129 115 I CA 1.829 63.288 61.300 0.265 0.000 1.402 115 I CB -1.727 36.344 38.000 0.118 0.000 1.069 115 I HN 0.860 nan 8.210 nan 0.000 0.424 116 A N 0.473 123.420 122.820 0.212 0.000 1.968 116 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 116 A C 1.978 179.679 177.584 0.195 0.000 1.169 116 A CA 1.397 53.533 52.037 0.165 0.000 0.638 116 A CB -0.385 18.687 19.000 0.120 0.000 0.812 116 A HN 0.344 nan 8.150 nan 0.000 0.446 117 D N -0.995 119.584 120.400 0.297 0.000 2.117 117 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 117 D C 1.606 178.087 176.300 0.303 0.000 0.982 117 D CA 1.029 55.240 54.000 0.351 0.000 0.828 117 D CB -0.371 40.754 40.800 0.541 0.000 0.967 117 D HN 0.441 nan 8.370 nan 0.000 0.464 118 F N 1.840 121.878 119.950 0.145 0.000 2.095 118 F HA -0.207 4.319 4.527 -0.000 0.000 0.298 118 F C 2.472 178.179 175.800 -0.156 0.000 1.104 118 F CA 1.568 59.400 58.000 -0.281 0.000 1.232 118 F CB -0.146 38.673 39.000 -0.301 0.000 0.987 118 F HN -0.098 nan 8.300 nan 0.000 0.475 119 Q N -0.182 119.658 119.800 0.067 0.000 2.170 119 Q HA -0.211 4.129 4.340 -0.000 0.000 0.203 119 Q C 1.829 177.767 176.000 -0.105 0.000 0.976 119 Q CA 1.935 57.724 55.803 -0.024 0.000 0.858 119 Q CB -0.439 28.332 28.738 0.055 0.000 0.907 119 Q HN 0.597 nan 8.270 nan 0.000 0.433 120 N N 0.041 118.707 118.700 -0.057 0.000 2.188 120 N HA -0.130 4.609 4.740 -0.000 0.000 0.184 120 N C 1.569 177.000 175.510 -0.131 0.000 1.018 120 N CA 0.354 53.372 53.050 -0.054 0.000 0.858 120 N CB -0.009 38.486 38.487 0.013 0.000 0.989 120 N HN 0.079 nan 8.380 nan 0.000 0.426 121 L N 1.608 122.699 121.223 -0.219 0.000 1.989 121 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 121 L C 1.766 178.390 176.870 -0.409 0.000 1.071 121 L CA 1.561 56.207 54.840 -0.323 0.000 0.749 121 L CB -0.667 41.042 42.059 -0.583 0.000 0.890 121 L HN 0.172 nan 8.230 nan 0.000 0.431 122 I N 0.001 120.241 120.570 -0.551 0.000 2.208 122 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 122 I C 2.656 178.477 176.117 -0.494 0.000 1.097 122 I CA 1.483 62.425 61.300 -0.596 0.000 1.363 122 I CB -1.940 35.750 38.000 -0.516 0.000 1.051 122 I HN 0.375 nan 8.210 nan 0.000 0.413 123 A N 0.919 123.588 122.820 -0.251 0.000 1.873 123 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 123 A C 2.614 180.152 177.584 -0.077 0.000 1.186 123 A CA 1.865 53.835 52.037 -0.112 0.000 0.616 123 A CB -0.811 18.155 19.000 -0.056 0.000 0.823 123 A HN 0.397 nan 8.150 nan 0.000 0.442 124 A N 0.022 122.787 122.820 -0.092 0.000 1.883 124 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 124 A C 2.535 180.088 177.584 -0.053 0.000 1.186 124 A CA 2.382 54.386 52.037 -0.055 0.000 0.624 124 A CB -1.184 17.787 19.000 -0.049 0.000 0.822 124 A HN 1.073 nan 8.150 nan 0.000 0.444 125 A N -0.541 122.213 122.820 -0.111 0.000 1.841 125 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 125 A C 1.936 179.533 177.584 0.022 0.000 1.199 125 A CA 1.862 53.850 52.037 -0.081 0.000 0.621 125 A CB -1.336 17.567 19.000 -0.161 0.000 0.835 125 A HN 0.757 nan 8.150 nan 0.000 0.445 126 H N -0.800 118.236 119.070 -0.055 0.000 2.353 126 H HA -0.114 4.442 4.556 -0.000 0.000 0.298 126 H C 2.429 177.729 175.328 -0.046 0.000 1.103 126 H CA 0.785 56.803 56.048 -0.050 0.000 1.293 126 H CB -0.049 29.685 29.762 -0.047 0.000 1.372 126 H HN 0.575 nan 8.280 nan 0.000 0.501 127 A N 1.047 123.917 122.820 0.084 0.000 2.019 127 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 127 A C 1.747 179.339 177.584 0.013 0.000 1.164 127 A CA 1.240 53.297 52.037 0.032 0.000 0.644 127 A CB 0.043 19.050 19.000 0.013 0.000 0.805 127 A HN 0.220 nan 8.150 nan 0.000 0.449 128 K N -0.406 120.002 120.400 0.012 0.000 2.437 128 K HA 0.111 4.431 4.320 -0.000 0.000 0.205 128 K C -0.349 176.244 176.600 -0.012 0.000 1.026 128 K CA -0.128 56.156 56.287 -0.005 0.000 1.153 128 K CB 0.142 32.636 32.500 -0.010 0.000 0.863 128 K HN 0.454 nan 8.250 nan 0.000 0.502 129 N N 0.645 119.344 118.700 -0.003 0.000 2.829 129 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 129 N C -0.575 174.922 175.510 -0.022 0.000 1.090 129 N CA 0.686 53.719 53.050 -0.028 0.000 0.781 129 N CB -1.600 36.852 38.487 -0.057 0.000 1.124 129 N HN 0.300 nan 8.380 nan 0.000 0.559 130 I N 0.997 121.583 120.570 0.027 0.000 2.377 130 I HA 0.183 4.353 4.170 -0.000 0.000 0.293 130 I C 0.735 176.926 176.117 0.123 0.000 0.987 130 I CA -0.470 60.852 61.300 0.037 0.000 1.185 130 I CB 1.332 39.344 38.000 0.021 0.000 1.341 130 I HN -0.194 nan 8.210 nan 0.000 0.455 131 K N 4.509 124.972 120.400 0.106 0.000 2.154 131 K HA 0.568 4.888 4.320 -0.000 0.000 0.264 131 K C -0.956 175.788 176.600 0.240 0.000 1.008 131 K CA -0.596 55.810 56.287 0.198 0.000 0.937 131 K CB 1.677 34.232 32.500 0.090 0.000 1.002 131 K HN 0.276 nan 8.250 nan 0.000 0.469 132 V N 4.126 124.190 119.914 0.250 0.000 2.495 132 V HA 0.427 4.546 4.120 -0.000 0.000 0.298 132 V C -0.289 175.945 176.094 0.234 0.000 1.031 132 V CA -0.782 61.614 62.300 0.161 0.000 0.871 132 V CB 1.316 33.114 31.823 -0.043 0.000 0.988 132 V HN 0.581 nan 8.190 nan 0.000 0.432 133 I N 5.714 126.427 120.570 0.238 0.000 2.569 133 I HA 0.625 4.795 4.170 -0.000 0.000 0.296 133 I C -0.393 175.849 176.117 0.208 0.000 1.028 133 I CA -0.644 60.778 61.300 0.204 0.000 1.082 133 I CB 2.026 40.127 38.000 0.168 0.000 1.264 133 I HN 0.625 nan 8.210 nan 0.000 0.429 134 I N 0.021 120.667 120.570 0.128 0.000 2.785 134 I HA 0.627 4.797 4.170 -0.000 0.000 0.302 134 I C -1.065 175.101 176.117 0.082 0.000 1.069 134 I CA -0.818 60.566 61.300 0.141 0.000 1.045 134 I CB 1.980 40.028 38.000 0.079 0.000 1.236 134 I HN 0.281 nan 8.210 nan 0.000 0.429 135 D N 3.055 123.550 120.400 0.158 0.000 2.341 135 D HA 0.404 5.044 4.640 -0.000 0.000 0.245 135 D C -1.386 175.038 176.300 0.205 0.000 1.106 135 D CA 0.609 54.706 54.000 0.162 0.000 0.905 135 D CB 1.280 42.198 40.800 0.197 0.000 1.202 135 D HN 0.422 nan 8.370 nan 0.000 0.426 136 F N 0.877 120.833 119.950 0.010 0.000 2.562 136 F HA 0.505 5.032 4.527 -0.000 0.000 0.319 136 F C -0.786 175.073 175.800 0.097 0.000 1.154 136 F CA -1.081 56.948 58.000 0.048 0.000 0.931 136 F CB 1.585 40.611 39.000 0.044 0.000 1.198 136 F HN 0.281 nan 8.300 nan 0.000 0.444 137 A N 7.370 130.059 122.820 -0.218 0.000 3.165 137 A HA 0.480 4.800 4.320 -0.000 0.000 0.331 137 A C -2.370 175.057 177.584 -0.263 0.000 1.034 137 A CA -1.074 50.886 52.037 -0.129 0.000 0.906 137 A CB -0.373 18.672 19.000 0.074 0.000 1.054 137 A HN 0.427 nan 8.150 nan 0.000 0.484 138 P HA -0.021 nan 4.420 nan 0.000 0.256 138 P C 0.591 177.807 177.300 -0.140 0.000 1.335 138 P CA 0.509 63.363 63.100 -0.409 0.000 0.808 138 P CB -0.091 31.400 31.700 -0.348 0.000 1.305 139 N N 0.688 119.306 118.700 -0.137 0.000 2.376 139 N HA -0.088 4.652 4.740 -0.000 0.000 0.177 139 N C 0.751 176.315 175.510 0.090 0.000 1.024 139 N CA 0.391 53.481 53.050 0.067 0.000 0.893 139 N CB 0.065 38.671 38.487 0.199 0.000 0.980 139 N HN 0.259 nan 8.380 nan 0.000 0.439 140 H N -4.420 114.716 119.070 0.110 0.000 2.905 140 H HA 0.272 4.828 4.556 -0.000 0.000 0.280 140 H C -0.243 175.231 175.328 0.243 0.000 1.445 140 H CA -0.092 56.035 56.048 0.131 0.000 1.165 140 H CB 0.665 30.474 29.762 0.078 0.000 1.857 140 H HN 0.036 nan 8.280 nan 0.000 0.567 141 T N -0.719 114.069 114.554 0.389 0.000 3.507 141 T HA 0.354 4.704 4.350 -0.000 0.000 0.197 141 T C 0.657 175.550 174.700 0.322 0.000 0.847 141 T CA 0.786 63.083 62.100 0.327 0.000 1.531 141 T CB -0.549 68.504 68.868 0.308 0.000 1.834 141 T HN 0.822 nan 8.240 nan 0.000 0.433 142 S N 0.931 116.685 115.700 0.090 0.000 2.720 142 S HA 0.705 5.175 4.470 -0.000 0.000 0.287 142 S C -3.308 171.097 174.600 -0.324 0.000 1.168 142 S CA -1.665 56.441 58.200 -0.157 0.000 0.832 142 S CB 1.125 64.214 63.200 -0.185 0.000 1.166 142 S HN 0.308 nan 8.310 nan 0.000 0.493 143 P HA 0.508 nan 4.420 nan 0.000 0.271 143 P C -1.026 176.167 177.300 -0.180 0.000 1.220 143 P CA 0.156 63.067 63.100 -0.315 0.000 0.768 143 P CB 0.521 32.060 31.700 -0.267 0.000 0.848 144 A N 2.423 125.185 122.820 -0.098 0.000 2.527 144 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 144 A C -0.824 176.817 177.584 0.094 0.000 1.117 144 A CA -0.581 51.442 52.037 -0.023 0.000 0.723 144 A CB 1.548 20.361 19.000 -0.311 0.000 1.313 144 A HN 0.328 nan 8.150 nan 0.000 0.411 145 S N -0.302 115.524 115.700 0.210 0.000 2.756 145 S HA 0.426 4.896 4.470 -0.000 0.000 0.303 145 S C 0.900 175.610 174.600 0.183 0.000 1.135 145 S CA 0.050 58.316 58.200 0.111 0.000 1.066 145 S CB 0.922 64.111 63.200 -0.019 0.000 1.008 145 S HN 0.980 nan 8.310 nan 0.000 0.482 146 S N 3.197 119.044 115.700 0.245 0.000 2.399 146 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 146 S C 0.843 175.472 174.600 0.047 0.000 1.022 146 S CA 1.578 59.877 58.200 0.165 0.000 0.983 146 S CB -0.485 62.757 63.200 0.071 0.000 0.803 146 S HN 0.906 nan 8.310 nan 0.000 0.480 147 D N -0.350 120.070 120.400 0.033 0.000 2.402 147 D HA 0.185 4.825 4.640 -0.000 0.000 0.216 147 D C 0.512 176.818 176.300 0.009 0.000 1.128 147 D CA -0.188 53.814 54.000 0.004 0.000 0.833 147 D CB -0.016 40.776 40.800 -0.014 0.000 0.971 147 D HN 0.307 nan 8.370 nan 0.000 0.503 148 Q N 0.372 120.192 119.800 0.033 0.000 2.903 148 Q HA 0.169 4.509 4.340 -0.000 0.000 0.342 148 Q C -1.983 174.078 176.000 0.101 0.000 0.808 148 Q CA -1.610 54.222 55.803 0.048 0.000 1.004 148 Q CB 1.144 29.893 28.738 0.019 0.000 1.470 148 Q HN 0.000 nan 8.270 nan 0.000 0.387 149 P HA -0.202 nan 4.420 nan 0.000 0.223 149 P C 0.729 178.065 177.300 0.059 0.000 1.140 149 P CA 1.410 64.548 63.100 0.063 0.000 0.783 149 P CB 0.167 31.885 31.700 0.030 0.000 0.759 150 S N -2.242 113.501 115.700 0.071 0.000 2.528 150 S HA 0.025 4.495 4.470 -0.000 0.000 0.219 150 S C 0.498 175.142 174.600 0.072 0.000 0.985 150 S CA -0.491 57.741 58.200 0.054 0.000 0.914 150 S CB -0.949 62.278 63.200 0.045 0.000 0.776 150 S HN 0.067 nan 8.310 nan 0.000 0.526 151 F N 3.966 123.889 119.950 -0.044 0.000 2.506 151 F HA 0.538 5.065 4.527 -0.000 0.000 0.371 151 F C 0.950 176.698 175.800 -0.087 0.000 1.078 151 F CA -0.388 57.569 58.000 -0.071 0.000 1.195 151 F CB -0.269 38.684 39.000 -0.078 0.000 1.099 151 F HN 0.427 nan 8.300 nan 0.000 0.548 152 A N 4.863 127.141 122.820 -0.902 0.000 5.584 152 A HA -0.343 3.976 4.320 -0.000 0.000 0.303 152 A C 0.994 178.374 177.584 -0.340 0.000 1.923 152 A CA 1.427 53.008 52.037 -0.760 0.000 0.717 152 A CB -1.471 16.858 19.000 -1.119 0.000 1.281 152 A HN 0.818 nan 8.150 nan 0.000 0.379 153 E N 1.160 121.199 120.200 -0.267 0.000 2.496 153 E HA 0.232 4.582 4.350 -0.000 0.000 0.202 153 E C 0.474 177.032 176.600 -0.070 0.000 1.021 153 E CA 0.360 56.703 56.400 -0.095 0.000 1.015 153 E CB -0.176 29.524 29.700 0.000 0.000 1.102 153 E HN 0.643 nan 8.360 nan 0.000 0.452 154 N N 0.649 119.288 118.700 -0.102 0.000 2.693 154 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 154 N C 0.677 176.127 175.510 -0.099 0.000 1.119 154 N CA 0.374 53.397 53.050 -0.044 0.000 0.717 154 N CB -0.730 37.757 38.487 0.001 0.000 1.071 154 N HN 0.562 nan 8.380 nan 0.000 0.555 155 G N 0.204 108.911 108.800 -0.154 0.000 2.225 155 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 155 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 155 G C 0.166 175.037 174.900 -0.048 0.000 1.024 155 G CA 0.719 45.708 45.100 -0.185 0.000 0.784 155 G HN 0.635 nan 8.290 nan 0.000 0.507 156 R N -0.955 119.553 120.500 0.014 0.000 2.537 156 R HA 0.306 4.646 4.340 -0.000 0.000 0.281 156 R C 0.210 176.571 176.300 0.103 0.000 0.988 156 R CA 0.059 56.178 56.100 0.033 0.000 1.077 156 R CB 0.397 30.689 30.300 -0.014 0.000 0.932 156 R HN 0.357 nan 8.270 nan 0.000 0.409 157 L N 4.331 125.552 121.223 -0.003 0.000 2.356 157 L HA 0.412 4.752 4.340 -0.000 0.000 0.277 157 L C -1.603 175.149 176.870 -0.197 0.000 0.996 157 L CA -0.460 54.408 54.840 0.046 0.000 0.822 157 L CB 1.117 43.228 42.059 0.087 0.000 1.256 157 L HN 0.406 nan 8.230 nan 0.000 0.413 158 Y N 1.976 122.310 120.300 0.056 0.000 2.509 158 Y HA 0.527 5.077 4.550 -0.000 0.000 0.341 158 Y C -0.472 175.484 175.900 0.094 0.000 1.038 158 Y CA -0.964 57.168 58.100 0.053 0.000 1.089 158 Y CB 1.545 40.062 38.460 0.096 0.000 1.241 158 Y HN 0.541 nan 8.280 nan 0.000 0.468 159 D N 2.145 122.703 120.400 0.264 0.000 2.462 159 D HA 0.133 4.773 4.640 -0.000 0.000 0.249 159 D C -0.272 176.217 176.300 0.315 0.000 1.117 159 D CA -0.340 53.875 54.000 0.358 0.000 0.900 159 D CB -0.144 40.792 40.800 0.225 0.000 1.039 159 D HN 0.607 nan 8.370 nan 0.000 0.516 160 N N 3.372 122.264 118.700 0.320 0.000 2.725 160 N HA -0.234 4.505 4.740 -0.000 0.000 0.251 160 N C 0.951 176.558 175.510 0.162 0.000 1.031 160 N CA 1.947 55.121 53.050 0.207 0.000 0.720 160 N CB -1.130 37.454 38.487 0.162 0.000 0.930 160 N HN 0.831 nan 8.380 nan 0.000 0.543 161 G N -2.790 106.114 108.800 0.174 0.000 2.254 161 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.225 161 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.225 161 G C 0.204 175.248 174.900 0.241 0.000 1.003 161 G CA 0.345 45.521 45.100 0.127 0.000 0.622 161 G HN 0.711 nan 8.290 nan 0.000 0.507 162 T N 2.802 117.507 114.554 0.252 0.000 2.743 162 T HA 0.544 4.894 4.350 -0.000 0.000 0.293 162 T C 0.434 175.260 174.700 0.209 0.000 0.945 162 T CA -0.409 61.821 62.100 0.217 0.000 1.030 162 T CB 1.772 70.716 68.868 0.127 0.000 0.912 162 T HN 0.361 nan 8.240 nan 0.000 0.483 163 L N 5.475 126.777 121.223 0.133 0.000 2.500 163 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 163 L C 0.767 177.538 176.870 -0.165 0.000 1.149 163 L CA 0.129 54.848 54.840 -0.201 0.000 0.897 163 L CB 0.202 42.153 42.059 -0.180 0.000 1.178 163 L HN 0.792 nan 8.230 nan 0.000 0.473 164 L N 5.096 126.176 121.223 -0.237 0.000 2.130 164 L HA 0.296 4.636 4.340 -0.000 0.000 0.200 164 L C 1.011 177.796 176.870 -0.143 0.000 1.075 164 L CA 0.707 55.441 54.840 -0.177 0.000 0.768 164 L CB -0.154 41.758 42.059 -0.245 0.000 0.933 164 L HN 0.782 nan 8.230 nan 0.000 0.451 165 G N -1.606 107.108 108.800 -0.144 0.000 2.322 165 G HA2 0.462 4.422 3.960 -0.000 0.000 0.295 165 G HA3 0.462 4.422 3.960 -0.000 0.000 0.295 165 G C -1.598 173.353 174.900 0.085 0.000 1.369 165 G CA -0.080 45.007 45.100 -0.021 0.000 0.821 165 G HN 0.186 nan 8.290 nan 0.000 0.536 166 G N -2.052 106.831 108.800 0.138 0.000 2.714 166 G HA2 0.501 4.461 3.960 -0.000 0.000 0.292 166 G HA3 0.501 4.461 3.960 -0.000 0.000 0.292 166 G C 0.114 175.043 174.900 0.048 0.000 1.308 166 G CA -0.321 44.827 45.100 0.081 0.000 0.964 166 G HN 0.640 nan 8.290 nan 0.000 0.484 167 Y N 0.372 120.473 120.300 -0.333 0.000 2.242 167 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 167 Y C 1.827 177.707 175.900 -0.033 0.000 1.137 167 Y CA 1.381 59.268 58.100 -0.356 0.000 1.181 167 Y CB 0.047 38.246 38.460 -0.436 0.000 0.989 167 Y HN 0.305 nan 8.280 nan 0.000 0.527 168 T N 2.705 117.231 114.554 -0.046 0.000 2.780 168 T HA 0.100 4.450 4.350 -0.000 0.000 0.294 168 T C -0.225 174.423 174.700 -0.086 0.000 0.949 168 T CA -0.336 61.714 62.100 -0.084 0.000 1.074 168 T CB 0.189 69.044 68.868 -0.022 0.000 0.910 168 T HN 0.320 nan 8.240 nan 0.000 0.501 169 N N 2.151 120.769 118.700 -0.136 0.000 2.780 169 N HA -0.147 4.593 4.740 -0.000 0.000 0.247 169 N C -0.761 174.696 175.510 -0.089 0.000 1.076 169 N CA 0.392 53.374 53.050 -0.113 0.000 0.688 169 N CB -0.739 37.709 38.487 -0.065 0.000 0.957 169 N HN 0.778 nan 8.380 nan 0.000 0.551 170 D N 0.425 120.751 120.400 -0.124 0.000 2.558 170 D HA 0.170 4.810 4.640 -0.000 0.000 0.221 170 D C 1.547 177.828 176.300 -0.032 0.000 1.143 170 D CA 0.184 54.194 54.000 0.017 0.000 1.010 170 D CB 0.284 41.255 40.800 0.286 0.000 1.068 170 D HN 0.332 nan 8.370 nan 0.000 0.511 171 T N 0.033 114.564 114.554 -0.039 0.000 2.904 171 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 171 T C 1.689 176.373 174.700 -0.025 0.000 1.059 171 T CA 0.780 62.852 62.100 -0.046 0.000 1.137 171 T CB -0.180 68.662 68.868 -0.043 0.000 0.879 171 T HN 0.319 nan 8.240 nan 0.000 0.467 172 Q N 0.829 120.620 119.800 -0.015 0.000 2.369 172 Q HA 0.105 4.445 4.340 -0.000 0.000 0.206 172 Q C 0.230 176.215 176.000 -0.025 0.000 0.963 172 Q CA 0.254 56.041 55.803 -0.026 0.000 0.894 172 Q CB -0.151 28.560 28.738 -0.044 0.000 0.965 172 Q HN 0.622 nan 8.270 nan 0.000 0.475 173 N N -1.191 117.519 118.700 0.017 0.000 2.780 173 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 173 N C 0.119 175.591 175.510 -0.063 0.000 1.102 173 N CA 0.050 53.129 53.050 0.048 0.000 0.697 173 N CB -0.972 37.535 38.487 0.035 0.000 1.028 173 N HN 0.214 nan 8.380 nan 0.000 0.554 174 L N -1.386 119.748 121.223 -0.149 0.000 2.141 174 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 174 L C 0.629 177.030 176.870 -0.782 0.000 1.094 174 L CA 1.188 55.713 54.840 -0.526 0.000 0.763 174 L CB -0.193 41.396 42.059 -0.784 0.000 0.908 174 L HN 0.166 nan 8.230 nan 0.000 0.437 175 F N -2.482 117.384 119.950 -0.140 0.000 2.613 175 F HA 0.384 4.911 4.527 -0.000 0.000 0.342 175 F C 0.430 176.018 175.800 -0.354 0.000 1.066 175 F CA -0.938 56.912 58.000 -0.250 0.000 1.002 175 F CB 0.672 39.641 39.000 -0.052 0.000 1.319 175 F HN -0.227 nan 8.300 nan 0.000 0.495 176 H N -0.543 118.511 119.070 -0.027 0.000 2.472 176 H HA 0.367 4.923 4.556 -0.000 0.000 0.335 176 H C -0.714 174.438 175.328 -0.293 0.000 1.136 176 H CA -0.546 55.448 56.048 -0.090 0.000 1.264 176 H CB 0.922 30.700 29.762 0.026 0.000 1.486 176 H HN 0.435 nan 8.280 nan 0.000 0.517 177 H N 2.207 121.425 119.070 0.247 0.000 2.624 177 H HA 0.133 4.689 4.556 -0.000 0.000 0.233 177 H C -0.177 175.187 175.328 0.060 0.000 1.376 177 H CA -0.238 55.884 56.048 0.124 0.000 1.137 177 H CB 0.232 29.980 29.762 -0.025 0.000 1.867 177 H HN 0.668 nan 8.280 nan 0.000 0.547 178 N N 0.718 119.485 118.700 0.112 0.000 2.187 178 N HA 0.165 4.905 4.740 -0.000 0.000 0.212 178 N C 1.174 176.688 175.510 0.005 0.000 1.152 178 N CA 0.682 53.745 53.050 0.022 0.000 0.872 178 N CB 2.254 40.714 38.487 -0.045 0.000 1.025 178 N HN 0.651 nan 8.380 nan 0.000 0.514 179 G N -0.050 108.772 108.800 0.037 0.000 2.545 179 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 179 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 179 G C -0.279 174.596 174.900 -0.042 0.000 1.314 179 G CA -0.527 44.572 45.100 -0.001 0.000 0.906 179 G HN 0.405 nan 8.290 nan 0.000 0.563 180 G N -1.087 107.661 108.800 -0.086 0.000 2.432 180 G HA2 0.734 4.694 3.960 -0.000 0.000 0.331 180 G HA3 0.734 4.694 3.960 -0.000 0.000 0.331 180 G C 0.045 174.826 174.900 -0.199 0.000 1.170 180 G CA 1.007 46.018 45.100 -0.149 0.000 0.943 180 G HN 1.372 nan 8.290 nan 0.000 0.483 181 T N -1.074 113.292 114.554 -0.313 0.000 2.868 181 T HA 0.303 4.653 4.350 -0.000 0.000 0.292 181 T C 0.694 175.108 174.700 -0.476 0.000 1.028 181 T CA 0.087 61.944 62.100 -0.405 0.000 1.059 181 T CB 0.981 69.519 68.868 -0.550 0.000 0.991 181 T HN 0.569 nan 8.240 nan 0.000 0.531 182 D N 1.296 121.492 120.400 -0.339 0.000 2.431 182 D HA 0.100 4.740 4.640 -0.000 0.000 0.213 182 D C 0.590 176.875 176.300 -0.024 0.000 1.130 182 D CA -0.358 53.537 54.000 -0.176 0.000 0.834 182 D CB -0.575 40.185 40.800 -0.067 0.000 0.985 182 D HN 0.573 nan 8.370 nan 0.000 0.504 183 F N 0.376 120.300 119.950 -0.043 0.000 2.935 183 F HA -0.351 4.176 4.527 -0.000 0.000 0.317 183 F C 2.114 177.899 175.800 -0.025 0.000 0.699 183 F CA 0.739 58.723 58.000 -0.026 0.000 1.127 183 F CB -2.411 36.569 39.000 -0.034 0.000 1.491 183 F HN 0.165 nan 8.300 nan 0.000 0.337 184 S N -0.662 115.083 115.700 0.075 0.000 2.372 184 S HA -0.135 4.334 4.470 -0.000 0.000 0.227 184 S C 1.043 175.665 174.600 0.036 0.000 1.044 184 S CA 1.669 59.896 58.200 0.045 0.000 1.050 184 S CB -0.561 62.640 63.200 0.001 0.000 0.901 184 S HN 0.735 nan 8.310 nan 0.000 0.447 185 T N -3.795 110.762 114.554 0.006 0.000 2.864 185 T HA 0.565 4.915 4.350 -0.000 0.000 0.289 185 T C 0.716 175.401 174.700 -0.025 0.000 1.082 185 T CA -0.191 61.905 62.100 -0.007 0.000 1.009 185 T CB 1.245 70.084 68.868 -0.050 0.000 1.234 185 T HN -0.022 nan 8.240 nan 0.000 0.526 186 T N 0.204 114.741 114.554 -0.028 0.000 2.737 186 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 186 T C 1.697 176.273 174.700 -0.207 0.000 1.038 186 T CA 1.632 63.698 62.100 -0.058 0.000 1.144 186 T CB -0.425 68.494 68.868 0.084 0.000 0.866 186 T HN 0.812 nan 8.240 nan 0.000 0.434 187 E N 1.229 121.201 120.200 -0.380 0.000 2.085 187 E HA -0.233 4.116 4.350 -0.000 0.000 0.194 187 E C 2.279 178.769 176.600 -0.184 0.000 0.994 187 E CA 1.001 57.055 56.400 -0.577 0.000 0.801 187 E CB -0.158 29.035 29.700 -0.844 0.000 0.743 187 E HN 0.359 nan 8.360 nan 0.000 0.453 188 N N 0.062 118.673 118.700 -0.147 0.000 2.084 188 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 188 N C 1.848 177.291 175.510 -0.111 0.000 1.030 188 N CA 1.586 54.576 53.050 -0.101 0.000 0.849 188 N CB -0.303 38.125 38.487 -0.099 0.000 1.012 188 N HN 0.237 nan 8.380 nan 0.000 0.423 189 G N -0.060 108.684 108.800 -0.094 0.000 2.744 189 G HA2 0.053 4.013 3.960 -0.000 0.000 0.211 189 G HA3 0.053 4.013 3.960 -0.000 0.000 0.211 189 G C 1.586 176.521 174.900 0.059 0.000 1.143 189 G CA -0.046 45.049 45.100 -0.008 0.000 0.788 189 G HN 0.310 nan 8.290 nan 0.000 0.534 190 I N -1.445 119.041 120.570 -0.140 0.000 2.729 190 I HA 0.118 4.287 4.170 -0.000 0.000 0.256 190 I C 1.342 177.213 176.117 -0.410 0.000 1.115 190 I CA 0.368 61.475 61.300 -0.322 0.000 1.446 190 I CB 0.293 37.933 38.000 -0.600 0.000 1.176 190 I HN 0.086 nan 8.210 nan 0.000 0.446 191 Y N 1.353 121.595 120.300 -0.096 0.000 2.468 191 Y HA 0.269 4.819 4.550 -0.000 0.000 0.268 191 Y C 0.643 176.381 175.900 -0.270 0.000 1.177 191 Y CA -0.137 57.796 58.100 -0.279 0.000 1.265 191 Y CB -0.123 38.165 38.460 -0.287 0.000 1.103 191 Y HN -0.075 nan 8.280 nan 0.000 0.522 192 K N 0.207 120.578 120.400 -0.049 0.000 2.306 192 K HA 0.330 4.650 4.320 -0.000 0.000 0.236 192 K C -0.725 175.841 176.600 -0.057 0.000 1.013 192 K CA -1.225 55.026 56.287 -0.060 0.000 0.857 192 K CB 0.985 33.419 32.500 -0.109 0.000 1.214 192 K HN -0.103 nan 8.250 nan 0.000 0.449 193 N N 1.128 119.782 118.700 -0.078 0.000 2.525 193 N HA 0.164 4.904 4.740 -0.000 0.000 0.271 193 N C -0.430 174.953 175.510 -0.211 0.000 1.194 193 N CA -0.176 52.803 53.050 -0.118 0.000 0.964 193 N CB 0.462 38.856 38.487 -0.155 0.000 1.126 193 N HN 0.349 nan 8.380 nan 0.000 0.452 194 L N 3.865 124.954 121.223 -0.223 0.000 2.295 194 L HA 0.162 4.502 4.340 -0.000 0.000 0.288 194 L C 0.892 177.626 176.870 -0.227 0.000 1.079 194 L CA -0.018 54.655 54.840 -0.278 0.000 0.830 194 L CB -0.358 41.530 42.059 -0.285 0.000 1.200 194 L HN 0.609 nan 8.230 nan 0.000 0.438 195 L N 1.924 123.025 121.223 -0.203 0.000 6.267 195 L HA -0.383 3.957 4.340 -0.000 0.000 0.053 195 L C 0.825 177.597 176.870 -0.163 0.000 2.435 195 L CA 1.719 56.466 54.840 -0.154 0.000 1.548 195 L CB -0.711 41.268 42.059 -0.133 0.000 2.870 195 L HN 0.792 nan 8.230 nan 0.000 1.048 196 D N 0.005 120.314 120.400 -0.151 0.000 2.431 196 D HA 0.255 4.895 4.640 -0.000 0.000 0.213 196 D C 0.238 176.406 176.300 -0.221 0.000 1.130 196 D CA -0.059 53.850 54.000 -0.152 0.000 0.834 196 D CB -0.183 40.585 40.800 -0.054 0.000 0.985 196 D HN 0.353 nan 8.370 nan 0.000 0.504 197 L N 1.334 122.409 121.223 -0.248 0.000 2.455 197 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 197 L C 0.803 177.502 176.870 -0.285 0.000 1.174 197 L CA -0.696 53.971 54.840 -0.288 0.000 0.869 197 L CB 0.693 42.493 42.059 -0.432 0.000 1.130 197 L HN 0.000 nan 8.230 nan 0.000 0.474 198 A N 2.827 125.459 122.820 -0.315 0.000 2.489 198 A HA 0.033 4.352 4.320 -0.000 0.000 0.289 198 A C -0.023 177.568 177.584 0.012 0.000 1.216 198 A CA -0.316 51.464 52.037 -0.428 0.000 0.883 198 A CB -0.453 18.157 19.000 -0.651 0.000 1.110 198 A HN 0.720 nan 8.150 nan 0.000 0.523 199 D N 2.599 123.010 120.400 0.018 0.000 2.363 199 D HA 0.275 4.915 4.640 -0.000 0.000 0.263 199 D C 0.170 176.504 176.300 0.057 0.000 1.258 199 D CA 0.410 54.477 54.000 0.111 0.000 0.907 199 D CB 0.224 41.115 40.800 0.152 0.000 1.107 199 D HN 0.490 nan 8.370 nan 0.000 0.495 200 L N 3.411 124.579 121.223 -0.092 0.000 2.456 200 L HA 0.097 4.437 4.340 -0.000 0.000 0.272 200 L C 0.745 177.102 176.870 -0.855 0.000 1.189 200 L CA -0.238 54.311 54.840 -0.484 0.000 0.846 200 L CB 0.369 42.054 42.059 -0.624 0.000 1.111 200 L HN 0.401 nan 8.230 nan 0.000 0.475 201 N N 0.984 119.153 118.700 -0.884 0.000 2.558 201 N HA 0.109 4.849 4.740 -0.000 0.000 0.233 201 N C 0.519 175.652 175.510 -0.630 0.000 1.038 201 N CA -0.260 52.299 53.050 -0.818 0.000 0.934 201 N CB 0.420 38.576 38.487 -0.552 0.000 1.175 201 N HN 0.412 nan 8.380 nan 0.000 0.512 202 H N 1.256 120.070 119.070 -0.426 0.000 2.545 202 H HA -0.006 4.550 4.556 -0.000 0.000 0.282 202 H C 1.128 176.318 175.328 -0.229 0.000 1.020 202 H CA 0.803 56.504 56.048 -0.579 0.000 1.243 202 H CB 0.162 29.105 29.762 -1.365 0.000 1.377 202 H HN 0.566 nan 8.280 nan 0.000 0.581 203 N N 0.672 119.375 118.700 0.005 0.000 2.467 203 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 203 N C 0.082 175.619 175.510 0.045 0.000 1.106 203 N CA -0.090 53.019 53.050 0.099 0.000 0.892 203 N CB 0.136 38.720 38.487 0.162 0.000 0.969 203 N HN 0.180 nan 8.380 nan 0.000 0.454 204 N N 0.068 118.743 118.700 -0.042 0.000 2.422 204 N HA 0.061 4.801 4.740 -0.000 0.000 0.264 204 N C 0.142 175.647 175.510 -0.008 0.000 1.063 204 N CA 0.143 53.164 53.050 -0.047 0.000 0.959 204 N CB 1.296 39.712 38.487 -0.118 0.000 1.087 204 N HN -0.022 nan 8.380 nan 0.000 0.483 205 S N 2.453 118.172 115.700 0.032 0.000 2.383 205 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 205 S C 1.523 176.164 174.600 0.068 0.000 1.030 205 S CA 1.726 59.968 58.200 0.070 0.000 1.002 205 S CB -0.135 63.105 63.200 0.067 0.000 0.829 205 S HN 0.751 nan 8.310 nan 0.000 0.467 206 T N 1.884 116.450 114.554 0.022 0.000 2.708 206 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 206 T C 1.942 176.667 174.700 0.041 0.000 1.037 206 T CA 1.273 63.385 62.100 0.020 0.000 1.146 206 T CB -0.409 68.432 68.868 -0.045 0.000 0.865 206 T HN 0.214 nan 8.240 nan 0.000 0.435 207 V N 1.836 121.725 119.914 -0.041 0.000 2.358 207 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 207 V C 2.403 178.567 176.094 0.116 0.000 1.047 207 V CA 2.009 64.275 62.300 -0.056 0.000 1.035 207 V CB -0.683 30.970 31.823 -0.283 0.000 0.658 207 V HN 0.502 nan 8.190 nan 0.000 0.452 208 D N 0.292 120.782 120.400 0.150 0.000 2.103 208 D HA -0.180 4.460 4.640 -0.000 0.000 0.190 208 D C 2.010 178.532 176.300 0.371 0.000 0.997 208 D CA 1.988 56.213 54.000 0.375 0.000 0.833 208 D CB -0.214 40.816 40.800 0.383 0.000 0.961 208 D HN 0.180 nan 8.370 nan 0.000 0.447 209 V N -0.186 119.877 119.914 0.249 0.000 2.343 209 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 209 V C 2.172 178.391 176.094 0.207 0.000 1.051 209 V CA 1.916 64.333 62.300 0.195 0.000 1.036 209 V CB -0.943 30.964 31.823 0.140 0.000 0.654 209 V HN 0.344 nan 8.190 nan 0.000 0.451 210 Y N 0.754 121.118 120.300 0.107 0.000 2.081 210 Y HA -0.281 4.269 4.550 -0.000 0.000 0.280 210 Y C 2.188 178.182 175.900 0.156 0.000 1.163 210 Y CA 1.935 60.097 58.100 0.103 0.000 1.135 210 Y CB -0.400 38.095 38.460 0.058 0.000 0.970 210 Y HN 0.163 nan 8.280 nan 0.000 0.498 211 L N -0.077 121.223 121.223 0.129 0.000 2.056 211 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 211 L C 2.416 179.463 176.870 0.296 0.000 1.078 211 L CA 1.787 56.728 54.840 0.167 0.000 0.749 211 L CB -0.537 41.755 42.059 0.388 0.000 0.901 211 L HN 0.108 nan 8.230 nan 0.000 0.433 212 K N -0.240 120.329 120.400 0.282 0.000 2.147 212 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 212 K C 1.671 178.251 176.600 -0.033 0.000 1.049 212 K CA 1.300 57.649 56.287 0.104 0.000 0.936 212 K CB -0.077 32.456 32.500 0.055 0.000 0.722 212 K HN 0.231 nan 8.250 nan 0.000 0.446 213 D N 0.166 120.550 120.400 -0.027 0.000 2.162 213 D HA -0.029 4.611 4.640 -0.000 0.000 0.203 213 D C 1.843 178.093 176.300 -0.083 0.000 0.967 213 D CA 1.060 55.011 54.000 -0.083 0.000 0.840 213 D CB -0.126 40.644 40.800 -0.049 0.000 0.972 213 D HN 0.159 nan 8.370 nan 0.000 0.482 214 A N 0.981 123.756 122.820 -0.075 0.000 1.883 214 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 214 A C 2.199 179.910 177.584 0.212 0.000 1.186 214 A CA 1.035 53.102 52.037 0.050 0.000 0.624 214 A CB -0.700 18.326 19.000 0.043 0.000 0.822 214 A HN 0.218 nan 8.150 nan 0.000 0.444 215 I N -0.310 120.339 120.570 0.131 0.000 2.454 215 I HA -0.174 3.996 4.170 -0.000 0.000 0.254 215 I C 2.061 178.179 176.117 0.002 0.000 1.156 215 I CA 1.515 62.804 61.300 -0.019 0.000 1.433 215 I CB -0.249 37.603 38.000 -0.246 0.000 1.082 215 I HN 0.258 nan 8.210 nan 0.000 0.432 216 K N -0.473 119.882 120.400 -0.075 0.000 2.148 216 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 216 K C 2.114 178.705 176.600 -0.016 0.000 1.050 216 K CA 1.515 57.743 56.287 -0.098 0.000 0.942 216 K CB -0.236 32.038 32.500 -0.378 0.000 0.724 216 K HN 0.403 nan 8.250 nan 0.000 0.446 217 M N -0.157 119.381 119.600 -0.104 0.000 2.067 217 M HA -0.191 4.289 4.480 -0.000 0.000 0.260 217 M C 1.370 177.525 176.300 -0.242 0.000 1.069 217 M CA 1.878 57.040 55.300 -0.231 0.000 1.117 217 M CB -0.252 32.095 32.600 -0.423 0.000 1.334 217 M HN 0.189 nan 8.290 nan 0.000 0.407 218 W N 0.841 122.133 121.300 -0.013 0.000 2.363 218 W HA -0.137 4.523 4.660 -0.000 0.000 0.296 218 W C 2.149 178.700 176.519 0.052 0.000 1.212 218 W CA 0.723 58.061 57.345 -0.012 0.000 1.260 218 W CB -0.691 28.730 29.460 -0.066 0.000 1.131 218 W HN 0.224 nan 8.180 nan 0.000 0.530 219 L N -0.054 121.308 121.223 0.231 0.000 2.046 219 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 219 L C 1.933 178.905 176.870 0.170 0.000 1.077 219 L CA 1.241 56.200 54.840 0.198 0.000 0.747 219 L CB -0.713 41.478 42.059 0.222 0.000 0.896 219 L HN -0.076 nan 8.230 nan 0.000 0.432 220 D N -0.063 120.428 120.400 0.151 0.000 2.264 220 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 220 D C 2.224 178.579 176.300 0.091 0.000 0.966 220 D CA 0.949 55.013 54.000 0.107 0.000 0.864 220 D CB 0.011 40.862 40.800 0.084 0.000 0.933 220 D HN 0.295 nan 8.370 nan 0.000 0.499 221 L N -0.601 120.692 121.223 0.117 0.000 2.465 221 L HA 0.081 4.421 4.340 -0.000 0.000 0.224 221 L C 1.528 178.531 176.870 0.221 0.000 1.145 221 L CA 0.675 55.622 54.840 0.178 0.000 0.834 221 L CB -0.054 42.145 42.059 0.233 0.000 0.944 221 L HN 0.138 nan 8.230 nan 0.000 0.451 222 G N 0.654 109.576 108.800 0.203 0.000 2.134 222 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.209 222 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.209 222 G C 0.416 175.458 174.900 0.238 0.000 0.993 222 G CA 0.038 45.255 45.100 0.196 0.000 0.669 222 G HN 0.394 nan 8.290 nan 0.000 0.519 223 I N -2.122 118.608 120.570 0.266 0.000 2.892 223 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 223 I C 0.720 176.989 176.117 0.254 0.000 1.205 223 I CA 0.234 61.691 61.300 0.262 0.000 1.409 223 I CB 0.535 38.713 38.000 0.297 0.000 1.367 223 I HN -0.042 nan 8.210 nan 0.000 0.597 224 D N 3.379 123.956 120.400 0.296 0.000 2.366 224 D HA 0.241 4.881 4.640 -0.000 0.000 0.205 224 D C 0.713 177.267 176.300 0.424 0.000 1.022 224 D CA 0.529 54.750 54.000 0.369 0.000 0.868 224 D CB 1.019 42.076 40.800 0.428 0.000 0.953 224 D HN 0.849 nan 8.370 nan 0.000 0.514 225 G N 0.279 109.248 108.800 0.283 0.000 2.576 225 G HA2 0.552 4.512 3.960 -0.000 0.000 0.290 225 G HA3 0.552 4.512 3.960 -0.000 0.000 0.290 225 G C -1.746 173.187 174.900 0.054 0.000 1.442 225 G CA -0.728 44.472 45.100 0.168 0.000 0.792 225 G HN -0.015 nan 8.290 nan 0.000 0.491 226 I N 0.313 120.853 120.570 -0.050 0.000 2.608 226 I HA 0.567 4.737 4.170 -0.000 0.000 0.295 226 I C -0.394 175.436 176.117 -0.478 0.000 1.049 226 I CA -1.060 60.148 61.300 -0.154 0.000 1.063 226 I CB 2.431 40.390 38.000 -0.067 0.000 1.248 226 I HN 0.235 nan 8.210 nan 0.000 0.424 227 R N 7.029 127.168 120.500 -0.602 0.000 2.320 227 R HA 0.478 4.818 4.340 -0.000 0.000 0.319 227 R C -1.200 174.866 176.300 -0.390 0.000 0.969 227 R CA -0.708 54.752 56.100 -1.067 0.000 0.857 227 R CB 1.102 30.524 30.300 -1.462 0.000 1.160 227 R HN 0.596 nan 8.270 nan 0.000 0.491 228 M N 2.567 122.002 119.600 -0.275 0.000 2.185 228 M HA 0.138 4.618 4.480 -0.000 0.000 0.357 228 M C 0.013 176.333 176.300 0.032 0.000 1.260 228 M CA -0.384 54.904 55.300 -0.020 0.000 1.124 228 M CB 0.943 33.562 32.600 0.032 0.000 1.600 228 M HN 0.436 nan 8.290 nan 0.000 0.467 229 D N 1.945 122.400 120.400 0.092 0.000 2.175 229 D HA 0.523 5.163 4.640 -0.000 0.000 0.248 229 D C 0.273 176.646 176.300 0.121 0.000 1.047 229 D CA 0.149 54.225 54.000 0.126 0.000 0.883 229 D CB 0.929 41.829 40.800 0.167 0.000 1.180 229 D HN 0.828 nan 8.370 nan 0.000 0.438 230 A N 2.376 125.281 122.820 0.142 0.000 2.869 230 A HA -0.190 4.130 4.320 -0.000 0.000 0.280 230 A C 1.507 179.157 177.584 0.110 0.000 1.458 230 A CA 0.967 53.120 52.037 0.193 0.000 0.776 230 A CB -2.546 16.589 19.000 0.225 0.000 1.028 230 A HN 1.176 nan 8.150 nan 0.000 0.547 231 V N -2.041 117.887 119.914 0.022 0.000 2.720 231 V HA -0.138 3.982 4.120 -0.000 0.000 0.256 231 V C 1.867 177.783 176.094 -0.296 0.000 1.082 231 V CA 2.540 64.800 62.300 -0.065 0.000 1.101 231 V CB -0.598 31.197 31.823 -0.047 0.000 0.693 231 V HN 0.663 nan 8.190 nan 0.000 0.479 232 K N -0.630 119.422 120.400 -0.581 0.000 2.486 232 K HA -0.077 4.243 4.320 -0.000 0.000 0.194 232 K C 1.455 177.571 176.600 -0.808 0.000 1.033 232 K CA 0.889 56.530 56.287 -1.077 0.000 1.004 232 K CB -0.143 31.311 32.500 -1.744 0.000 0.798 232 K HN 0.718 nan 8.250 nan 0.000 0.495 233 H N -0.768 118.222 119.070 -0.134 0.000 2.549 233 H HA 0.227 4.783 4.556 -0.000 0.000 0.279 233 H C 0.094 175.375 175.328 -0.078 0.000 1.018 233 H CA 0.112 56.105 56.048 -0.091 0.000 1.175 233 H CB 0.303 30.038 29.762 -0.045 0.000 1.485 233 H HN 0.127 nan 8.280 nan 0.000 0.543 234 M N 0.802 120.412 119.600 0.017 0.000 2.644 234 M HA 0.364 4.844 4.480 -0.000 0.000 0.304 234 M C -2.597 173.717 176.300 0.024 0.000 1.215 234 M CA -2.023 53.270 55.300 -0.011 0.000 0.871 234 M CB 2.683 35.275 32.600 -0.014 0.000 1.740 234 M HN -0.229 nan 8.290 nan 0.000 0.464 235 P HA 0.047 nan 4.420 nan 0.000 0.267 235 P C -0.074 177.427 177.300 0.335 0.000 1.205 235 P CA -0.002 63.116 63.100 0.030 0.000 0.765 235 P CB 0.093 31.866 31.700 0.122 0.000 0.828 236 F N 2.458 122.541 119.950 0.221 0.000 2.095 236 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 236 F C 2.566 178.496 175.800 0.218 0.000 1.104 236 F CA 1.724 59.933 58.000 0.348 0.000 1.232 236 F CB -2.384 36.894 39.000 0.464 0.000 0.987 236 F HN 0.362 nan 8.300 nan 0.000 0.475 237 G N -1.197 107.777 108.800 0.289 0.000 2.440 237 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 237 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 237 G C 1.604 176.626 174.900 0.204 0.000 1.154 237 G CA 0.702 45.922 45.100 0.200 0.000 0.767 237 G HN 0.479 nan 8.290 nan 0.000 0.552 238 W N 1.313 122.681 121.300 0.113 0.000 2.355 238 W HA -0.105 4.555 4.660 -0.000 0.000 0.309 238 W C 2.900 179.491 176.519 0.120 0.000 1.206 238 W CA 1.851 59.258 57.345 0.102 0.000 1.284 238 W CB -0.172 29.317 29.460 0.048 0.000 1.145 238 W HN 0.277 nan 8.180 nan 0.000 0.502 239 Q N 0.137 120.046 119.800 0.181 0.000 2.135 239 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 239 Q C 2.221 178.193 176.000 -0.046 0.000 0.981 239 Q CA 2.035 57.866 55.803 0.046 0.000 0.856 239 Q CB -0.514 28.439 28.738 0.358 0.000 0.902 239 Q HN 0.380 nan 8.270 nan 0.000 0.425 240 K N 0.732 121.126 120.400 -0.010 0.000 2.097 240 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 240 K C 2.261 178.799 176.600 -0.103 0.000 1.050 240 K CA 1.552 57.804 56.287 -0.059 0.000 0.938 240 K CB -0.077 32.406 32.500 -0.028 0.000 0.718 240 K HN 0.183 nan 8.250 nan 0.000 0.442 241 S N -0.102 115.503 115.700 -0.159 0.000 2.423 241 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 241 S C 1.831 176.264 174.600 -0.279 0.000 1.014 241 S CA 0.673 58.754 58.200 -0.198 0.000 0.965 241 S CB -0.543 62.549 63.200 -0.179 0.000 0.785 241 S HN 0.464 nan 8.310 nan 0.000 0.495 242 F N 1.658 121.229 119.950 -0.632 0.000 2.293 242 F HA 0.186 4.713 4.527 -0.000 0.000 0.297 242 F C 2.204 177.835 175.800 -0.282 0.000 1.089 242 F CA 0.968 58.625 58.000 -0.570 0.000 1.377 242 F CB -0.185 38.308 39.000 -0.846 0.000 1.051 242 F HN 0.098 nan 8.300 nan 0.000 0.511 243 M N 0.396 119.964 119.600 -0.054 0.000 2.175 243 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 243 M C 2.536 178.750 176.300 -0.144 0.000 1.063 243 M CA 1.452 56.705 55.300 -0.078 0.000 1.119 243 M CB -1.848 30.736 32.600 -0.027 0.000 1.377 243 M HN 0.312 nan 8.290 nan 0.000 0.415 244 A N 0.241 122.980 122.820 -0.135 0.000 1.933 244 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 244 A C 2.438 179.945 177.584 -0.128 0.000 1.175 244 A CA 2.023 53.994 52.037 -0.109 0.000 0.628 244 A CB -0.866 18.083 19.000 -0.085 0.000 0.814 244 A HN 0.465 nan 8.150 nan 0.000 0.444 245 A N -0.530 122.165 122.820 -0.208 0.000 1.908 245 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 245 A C 2.250 179.709 177.584 -0.208 0.000 1.181 245 A CA 1.910 53.810 52.037 -0.229 0.000 0.627 245 A CB -0.938 17.863 19.000 -0.332 0.000 0.818 245 A HN 0.388 nan 8.150 nan 0.000 0.445 246 V N 0.827 120.558 119.914 -0.305 0.000 2.270 246 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 246 V C 2.233 178.305 176.094 -0.038 0.000 1.043 246 V CA 2.183 64.374 62.300 -0.181 0.000 1.014 246 V CB -0.999 30.680 31.823 -0.240 0.000 0.645 246 V HN 0.551 nan 8.190 nan 0.000 0.447 247 N N 0.812 119.481 118.700 -0.053 0.000 2.244 247 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 247 N C 1.460 176.977 175.510 0.012 0.000 1.016 247 N CA 1.011 54.056 53.050 -0.008 0.000 0.866 247 N CB -0.507 37.974 38.487 -0.010 0.000 0.980 247 N HN 0.433 nan 8.380 nan 0.000 0.430 248 N N -0.490 118.217 118.700 0.011 0.000 2.461 248 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 248 N C 0.778 176.344 175.510 0.092 0.000 1.134 248 N CA 0.198 53.268 53.050 0.033 0.000 0.878 248 N CB 0.182 38.677 38.487 0.014 0.000 0.972 248 N HN 0.369 nan 8.380 nan 0.000 0.456 249 Y N 0.672 120.935 120.300 -0.061 0.000 2.687 249 Y HA 0.344 4.894 4.550 -0.000 0.000 0.246 249 Y C -0.316 175.563 175.900 -0.034 0.000 1.061 249 Y CA 0.577 58.645 58.100 -0.053 0.000 1.400 249 Y CB 0.580 38.993 38.460 -0.080 0.000 1.325 249 Y HN -0.322 nan 8.280 nan 0.000 0.498 250 K N 1.823 122.100 120.400 -0.206 0.000 2.723 250 K HA 0.313 4.632 4.320 -0.000 0.000 0.229 250 K C -2.922 173.655 176.600 -0.038 0.000 1.022 250 K CA -2.168 53.982 56.287 -0.229 0.000 1.045 250 K CB 1.730 34.027 32.500 -0.338 0.000 1.227 250 K HN 0.013 nan 8.250 nan 0.000 0.516 251 P HA -0.001 nan 4.420 nan 0.000 0.268 251 P C -0.607 176.743 177.300 0.084 0.000 1.204 251 P CA -0.376 62.749 63.100 0.042 0.000 0.768 251 P CB 0.850 32.587 31.700 0.062 0.000 0.842 252 V N 0.557 120.539 119.914 0.114 0.000 2.971 252 V HA 0.516 4.636 4.120 -0.000 0.000 0.309 252 V C -0.638 175.591 176.094 0.224 0.000 1.130 252 V CA -1.382 61.034 62.300 0.193 0.000 0.964 252 V CB 1.754 33.684 31.823 0.177 0.000 1.029 252 V HN 0.304 nan 8.190 nan 0.000 0.427 253 F N 2.772 122.824 119.950 0.170 0.000 2.590 253 F HA 0.551 5.078 4.527 -0.000 0.000 0.389 253 F C 0.463 176.298 175.800 0.060 0.000 1.049 253 F CA 1.068 59.144 58.000 0.128 0.000 1.199 253 F CB 0.309 39.371 39.000 0.104 0.000 1.058 253 F HN 0.790 nan 8.300 nan 0.000 0.556 254 T N 8.202 122.485 114.554 -0.450 0.000 2.848 254 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 254 T C -1.201 173.278 174.700 -0.369 0.000 0.995 254 T CA -0.315 61.596 62.100 -0.315 0.000 0.970 254 T CB 0.948 69.746 68.868 -0.118 0.000 0.976 254 T HN 0.408 nan 8.240 nan 0.000 0.441 255 F N -0.148 119.551 119.950 -0.418 0.000 2.578 255 F HA 0.902 5.428 4.527 -0.000 0.000 0.311 255 F C -0.032 175.708 175.800 -0.101 0.000 1.094 255 F CA -1.349 56.480 58.000 -0.285 0.000 0.923 255 F CB 1.002 39.807 39.000 -0.326 0.000 1.230 255 F HN 0.702 nan 8.300 nan 0.000 0.450 256 G N 0.766 109.608 108.800 0.069 0.000 2.597 256 G HA2 0.515 4.475 3.960 -0.000 0.000 0.317 256 G HA3 0.515 4.475 3.960 -0.000 0.000 0.317 256 G C -1.841 173.195 174.900 0.226 0.000 1.230 256 G CA -0.939 44.215 45.100 0.088 0.000 0.996 256 G HN 0.923 nan 8.290 nan 0.000 0.490 257 E N -0.035 120.307 120.200 0.237 0.000 2.113 257 E HA 0.292 4.642 4.350 -0.000 0.000 0.273 257 E C -1.409 175.403 176.600 0.353 0.000 0.924 257 E CA -0.913 55.714 56.400 0.377 0.000 0.764 257 E CB 1.039 30.966 29.700 0.378 0.000 1.104 257 E HN 0.440 nan 8.360 nan 0.000 0.406 258 W N 8.375 129.805 121.300 0.216 0.000 2.516 258 W HA 0.261 4.921 4.660 -0.000 0.000 0.293 258 W C -1.710 174.834 176.519 0.042 0.000 1.006 258 W CA -1.600 55.790 57.345 0.074 0.000 1.483 258 W CB 0.220 29.669 29.460 -0.018 0.000 1.316 258 W HN 0.509 nan 8.180 nan 0.000 0.411 259 F N 5.514 125.413 119.950 -0.086 0.000 2.607 259 F HA 0.260 4.787 4.527 -0.000 0.000 0.374 259 F C -0.460 175.207 175.800 -0.222 0.000 1.104 259 F CA 0.921 58.542 58.000 -0.632 0.000 1.296 259 F CB 0.635 39.307 39.000 -0.546 0.000 1.085 259 F HN 0.166 nan 8.300 nan 0.000 0.584 260 L N 5.685 126.244 121.223 -1.106 0.000 2.408 260 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 260 L C 0.400 176.852 176.870 -0.697 0.000 0.986 260 L CA -0.864 53.733 54.840 -0.405 0.000 0.820 260 L CB 1.728 43.771 42.059 -0.028 0.000 1.303 260 L HN 0.775 nan 8.230 nan 0.000 0.411 261 G N 1.203 109.941 108.800 -0.103 0.000 2.537 261 G HA2 0.498 4.457 3.960 -0.000 0.000 0.297 261 G HA3 0.498 4.457 3.960 -0.000 0.000 0.297 261 G C -0.284 174.632 174.900 0.027 0.000 1.310 261 G CA -0.608 44.527 45.100 0.058 0.000 1.027 261 G HN 0.269 nan 8.290 nan 0.000 0.505 262 V N 1.711 121.664 119.914 0.065 0.000 2.694 262 V HA -0.014 4.106 4.120 -0.000 0.000 0.306 262 V C 0.985 177.105 176.094 0.044 0.000 1.054 262 V CA 0.471 62.800 62.300 0.049 0.000 1.161 262 V CB 0.730 32.582 31.823 0.049 0.000 0.916 262 V HN 0.913 nan 8.190 nan 0.000 0.490 263 N N 1.454 120.176 118.700 0.037 0.000 2.778 263 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 263 N C 0.406 175.943 175.510 0.046 0.000 1.069 263 N CA 1.538 54.610 53.050 0.037 0.000 0.831 263 N CB -0.512 37.992 38.487 0.029 0.000 1.142 263 N HN 0.954 nan 8.380 nan 0.000 0.573 264 E N 0.712 120.943 120.200 0.052 0.000 2.259 264 E HA 0.406 4.756 4.350 -0.000 0.000 0.281 264 E C -0.843 175.793 176.600 0.061 0.000 1.027 264 E CA -0.366 56.069 56.400 0.059 0.000 0.838 264 E CB 1.029 30.772 29.700 0.071 0.000 1.066 264 E HN -0.023 nan 8.360 nan 0.000 0.401 265 V N 4.000 123.941 119.914 0.045 0.000 2.488 265 V HA 0.208 4.328 4.120 -0.000 0.000 0.293 265 V C -0.536 175.515 176.094 -0.071 0.000 1.027 265 V CA -0.640 61.677 62.300 0.029 0.000 0.862 265 V CB 1.588 33.454 31.823 0.071 0.000 1.008 265 V HN 0.618 nan 8.190 nan 0.000 0.428 266 S N 6.588 122.166 115.700 -0.204 0.000 2.449 266 S HA 0.593 5.062 4.470 -0.000 0.000 0.310 266 S C -1.762 172.431 174.600 -0.678 0.000 1.096 266 S CA -1.600 56.432 58.200 -0.280 0.000 1.095 266 S CB 2.135 65.267 63.200 -0.112 0.000 1.007 266 S HN 0.473 nan 8.310 nan 0.000 0.474 267 P HA 0.002 nan 4.420 nan 0.000 0.219 267 P C 1.002 178.159 177.300 -0.238 0.000 1.150 267 P CA 0.850 63.731 63.100 -0.365 0.000 0.814 267 P CB 0.201 31.842 31.700 -0.097 0.000 0.787 268 E N -0.394 119.726 120.200 -0.134 0.000 2.077 268 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 268 E C 2.019 178.373 176.600 -0.410 0.000 0.989 268 E CA 1.098 57.488 56.400 -0.016 0.000 0.800 268 E CB -0.441 29.447 29.700 0.313 0.000 0.746 268 E HN 0.213 nan 8.360 nan 0.000 0.452 269 N N -0.235 117.976 118.700 -0.815 0.000 2.069 269 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 269 N C 1.658 176.901 175.510 -0.446 0.000 1.031 269 N CA 1.712 54.011 53.050 -1.251 0.000 0.852 269 N CB -0.044 37.831 38.487 -1.021 0.000 1.018 269 N HN 0.274 nan 8.380 nan 0.000 0.423 270 H N -0.421 118.448 119.070 -0.335 0.000 2.319 270 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 270 H C 2.057 177.296 175.328 -0.147 0.000 1.092 270 H CA 1.217 57.077 56.048 -0.313 0.000 1.302 270 H CB -0.038 29.486 29.762 -0.398 0.000 1.373 270 H HN 0.204 nan 8.280 nan 0.000 0.497 271 K N 0.638 121.047 120.400 0.014 0.000 2.057 271 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 271 K C 2.021 178.644 176.600 0.038 0.000 1.049 271 K CA 1.274 57.583 56.287 0.037 0.000 0.931 271 K CB -0.165 32.376 32.500 0.067 0.000 0.714 271 K HN 0.167 nan 8.250 nan 0.000 0.440 272 F N 1.075 120.931 119.950 -0.157 0.000 2.134 272 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 272 F C 1.973 177.736 175.800 -0.062 0.000 1.097 272 F CA 1.582 59.480 58.000 -0.169 0.000 1.264 272 F CB -0.261 38.525 39.000 -0.356 0.000 1.001 272 F HN 0.063 nan 8.300 nan 0.000 0.479 273 A N -0.080 122.839 122.820 0.165 0.000 2.015 273 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 273 A C 1.833 179.454 177.584 0.063 0.000 1.163 273 A CA 1.670 53.808 52.037 0.169 0.000 0.646 273 A CB -0.648 18.571 19.000 0.365 0.000 0.806 273 A HN 0.476 nan 8.150 nan 0.000 0.448 274 N N -0.528 118.193 118.700 0.036 0.000 2.415 274 N HA 0.015 4.755 4.740 -0.000 0.000 0.176 274 N C 1.114 176.595 175.510 -0.048 0.000 1.042 274 N CA 1.036 54.091 53.050 0.008 0.000 0.902 274 N CB 0.109 38.601 38.487 0.008 0.000 0.986 274 N HN 0.679 nan 8.380 nan 0.000 0.447 275 E N -1.037 119.101 120.200 -0.103 0.000 2.541 275 E HA 0.089 4.439 4.350 -0.000 0.000 0.219 275 E C 1.282 177.759 176.600 -0.204 0.000 0.922 275 E CA 0.008 56.336 56.400 -0.120 0.000 1.095 275 E CB 0.431 30.091 29.700 -0.065 0.000 1.112 275 E HN 0.210 nan 8.360 nan 0.000 0.516 276 S N -0.357 115.110 115.700 -0.388 0.000 2.428 276 S HA 0.057 4.527 4.470 -0.000 0.000 0.230 276 S C 1.757 176.182 174.600 -0.292 0.000 1.014 276 S CA 0.956 58.856 58.200 -0.501 0.000 0.957 276 S CB 0.251 62.714 63.200 -1.228 0.000 0.784 276 S HN 0.325 nan 8.310 nan 0.000 0.499 277 G N 1.061 109.729 108.800 -0.220 0.000 2.201 277 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.212 277 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.212 277 G C -0.064 174.773 174.900 -0.106 0.000 0.994 277 G CA 0.056 45.074 45.100 -0.137 0.000 0.644 277 G HN 0.911 nan 8.290 nan 0.000 0.508 278 M N 0.001 119.525 119.600 -0.126 0.000 2.691 278 M HA 0.856 5.336 4.480 -0.000 0.000 0.293 278 M C 0.293 176.581 176.300 -0.020 0.000 1.259 278 M CA -0.239 55.019 55.300 -0.069 0.000 0.827 278 M CB 1.942 34.543 32.600 0.001 0.000 1.753 278 M HN 0.565 nan 8.290 nan 0.000 0.465 279 S N 0.803 116.488 115.700 -0.025 0.000 2.677 279 S HA 0.915 5.385 4.470 -0.000 0.000 0.290 279 S C -0.481 174.212 174.600 0.156 0.000 1.124 279 S CA -0.822 57.406 58.200 0.047 0.000 1.017 279 S CB 1.220 64.424 63.200 0.006 0.000 1.215 279 S HN 0.761 nan 8.310 nan 0.000 0.524 280 L N -0.512 120.796 121.223 0.141 0.000 2.403 280 L HA 0.504 4.844 4.340 -0.000 0.000 0.253 280 L C -1.058 175.927 176.870 0.192 0.000 1.045 280 L CA -1.006 53.971 54.840 0.230 0.000 0.845 280 L CB 1.557 43.766 42.059 0.250 0.000 1.447 280 L HN 0.557 nan 8.230 nan 0.000 0.411 281 L N 1.379 122.789 121.223 0.312 0.000 2.410 281 L HA 0.100 4.440 4.340 -0.000 0.000 0.273 281 L C -0.029 177.001 176.870 0.267 0.000 1.144 281 L CA 0.026 55.036 54.840 0.284 0.000 0.863 281 L CB 0.328 42.554 42.059 0.279 0.000 1.140 281 L HN 0.513 nan 8.230 nan 0.000 0.463 282 D N 3.330 123.830 120.400 0.167 0.000 2.551 282 D HA 0.016 4.656 4.640 -0.000 0.000 0.223 282 D C 0.922 177.188 176.300 -0.057 0.000 1.144 282 D CA 0.055 54.070 54.000 0.025 0.000 1.025 282 D CB 0.202 40.918 40.800 -0.141 0.000 1.085 282 D HN 0.280 nan 8.370 nan 0.000 0.506 283 F N 1.190 121.241 119.950 0.169 0.000 2.171 283 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 283 F C 2.547 178.339 175.800 -0.014 0.000 1.090 283 F CA 0.858 58.891 58.000 0.054 0.000 1.293 283 F CB -0.104 38.889 39.000 -0.012 0.000 1.013 283 F HN 0.273 nan 8.300 nan 0.000 0.486 284 R N -0.426 120.215 120.500 0.234 0.000 2.091 284 R HA -0.239 4.101 4.340 -0.000 0.000 0.238 284 R C 2.318 178.701 176.300 0.138 0.000 1.136 284 R CA 1.859 58.071 56.100 0.186 0.000 0.959 284 R CB -0.727 29.727 30.300 0.257 0.000 0.856 284 R HN 0.303 nan 8.270 nan 0.000 0.437 285 F N 0.844 120.768 119.950 -0.043 0.000 2.060 285 F HA -0.109 4.418 4.527 -0.000 0.000 0.295 285 F C 2.226 177.940 175.800 -0.144 0.000 1.120 285 F CA 1.671 59.628 58.000 -0.071 0.000 1.205 285 F CB -0.654 38.274 39.000 -0.120 0.000 0.986 285 F HN 0.133 nan 8.300 nan 0.000 0.470 286 A N 0.371 123.144 122.820 -0.078 0.000 1.884 286 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 286 A C 2.137 179.657 177.584 -0.106 0.000 1.197 286 A CA 2.097 53.940 52.037 -0.323 0.000 0.637 286 A CB -1.078 17.269 19.000 -1.087 0.000 0.827 286 A HN 0.577 nan 8.150 nan 0.000 0.450 287 Q N -0.734 119.047 119.800 -0.031 0.000 2.135 287 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 287 Q C 2.064 178.062 176.000 -0.005 0.000 0.981 287 Q CA 1.927 57.746 55.803 0.027 0.000 0.856 287 Q CB -0.387 28.379 28.738 0.048 0.000 0.902 287 Q HN 0.631 nan 8.270 nan 0.000 0.425 288 K N 0.699 121.069 120.400 -0.051 0.000 2.062 288 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 288 K C 2.004 178.530 176.600 -0.123 0.000 1.051 288 K CA 0.658 56.890 56.287 -0.092 0.000 0.941 288 K CB -0.369 32.062 32.500 -0.114 0.000 0.719 288 K HN -0.012 nan 8.250 nan 0.000 0.440 289 V N 1.036 120.861 119.914 -0.149 0.000 2.343 289 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 289 V C 2.296 178.519 176.094 0.215 0.000 1.051 289 V CA 2.001 64.292 62.300 -0.015 0.000 1.036 289 V CB -0.393 31.397 31.823 -0.054 0.000 0.654 289 V HN 0.309 nan 8.190 nan 0.000 0.451 290 R N -0.630 119.976 120.500 0.176 0.000 2.075 290 R HA -0.149 4.190 4.340 -0.000 0.000 0.232 290 R C 2.421 178.749 176.300 0.047 0.000 1.126 290 R CA 1.384 57.594 56.100 0.182 0.000 0.963 290 R CB -0.311 30.060 30.300 0.117 0.000 0.858 290 R HN 0.588 nan 8.270 nan 0.000 0.435 291 Q N 0.047 119.849 119.800 0.003 0.000 2.096 291 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 291 Q C 2.196 178.151 176.000 -0.075 0.000 0.982 291 Q CA 1.672 57.453 55.803 -0.038 0.000 0.850 291 Q CB 0.030 28.741 28.738 -0.046 0.000 0.901 291 Q HN 0.202 nan 8.270 nan 0.000 0.422 292 V N -0.487 119.350 119.914 -0.128 0.000 2.323 292 V HA -0.176 3.944 4.120 -0.000 0.000 0.244 292 V C 1.547 177.459 176.094 -0.303 0.000 1.041 292 V CA 1.657 63.780 62.300 -0.295 0.000 1.025 292 V CB -0.351 31.153 31.823 -0.531 0.000 0.656 292 V HN 0.246 nan 8.190 nan 0.000 0.451 293 F N -1.045 118.900 119.950 -0.009 0.000 2.731 293 F HA 0.277 4.804 4.527 -0.000 0.000 0.298 293 F C 2.262 178.123 175.800 0.102 0.000 1.106 293 F CA 0.401 58.455 58.000 0.090 0.000 1.329 293 F CB 0.054 39.179 39.000 0.208 0.000 1.100 293 F HN -0.103 nan 8.300 nan 0.000 0.592 294 R N 0.159 120.730 120.500 0.117 0.000 2.076 294 R HA 0.048 4.388 4.340 -0.000 0.000 0.203 294 R C 1.031 177.250 176.300 -0.134 0.000 1.229 294 R CA 0.797 56.775 56.100 -0.202 0.000 1.094 294 R CB 0.008 29.932 30.300 -0.628 0.000 0.991 294 R HN 0.006 nan 8.270 nan 0.000 0.471 295 D N 0.726 121.063 120.400 -0.106 0.000 2.350 295 D HA 0.025 4.665 4.640 -0.000 0.000 0.213 295 D C -0.467 175.801 176.300 -0.053 0.000 1.031 295 D CA 0.265 54.218 54.000 -0.078 0.000 0.861 295 D CB -0.037 40.721 40.800 -0.069 0.000 0.926 295 D HN 0.287 nan 8.370 nan 0.000 0.520 296 N N 0.061 118.730 118.700 -0.052 0.000 2.725 296 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 296 N C 0.335 175.816 175.510 -0.047 0.000 1.031 296 N CA 1.037 54.055 53.050 -0.054 0.000 0.720 296 N CB -1.801 36.663 38.487 -0.039 0.000 0.930 296 N HN 0.249 nan 8.380 nan 0.000 0.543 297 T N -5.210 109.315 114.554 -0.048 0.000 3.092 297 T HA 0.249 4.599 4.350 -0.000 0.000 0.258 297 T C 0.029 174.706 174.700 -0.038 0.000 1.031 297 T CA -0.091 61.987 62.100 -0.036 0.000 0.925 297 T CB 0.724 69.576 68.868 -0.027 0.000 1.036 297 T HN 0.266 nan 8.240 nan 0.000 0.544 298 D N 0.853 121.219 120.400 -0.057 0.000 2.622 298 D HA 0.372 5.012 4.640 -0.000 0.000 0.255 298 D C -1.312 174.935 176.300 -0.088 0.000 1.246 298 D CA -0.521 53.444 54.000 -0.058 0.000 0.795 298 D CB 1.867 42.631 40.800 -0.059 0.000 1.369 298 D HN 0.268 nan 8.370 nan 0.000 0.425 299 N N 0.168 118.834 118.700 -0.057 0.000 2.879 299 N HA 0.267 5.007 4.740 -0.000 0.000 0.329 299 N C 1.002 176.424 175.510 -0.146 0.000 1.337 299 N CA -0.456 52.544 53.050 -0.083 0.000 0.844 299 N CB 0.123 38.626 38.487 0.026 0.000 1.236 299 N HN 0.201 nan 8.380 nan 0.000 0.601 300 M N -0.919 118.555 119.600 -0.210 0.000 2.213 300 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 300 M C 1.330 177.445 176.300 -0.309 0.000 1.062 300 M CA 1.500 56.606 55.300 -0.322 0.000 1.105 300 M CB -1.380 31.002 32.600 -0.364 0.000 1.385 300 M HN 0.499 nan 8.290 nan 0.000 0.417 301 Y N 0.120 120.373 120.300 -0.078 0.000 2.274 301 Y HA -0.082 4.468 4.550 -0.000 0.000 0.290 301 Y C 2.613 178.477 175.900 -0.060 0.000 1.145 301 Y CA 1.400 59.466 58.100 -0.057 0.000 1.203 301 Y CB -1.254 37.175 38.460 -0.052 0.000 0.984 301 Y HN 0.305 nan 8.280 nan 0.000 0.533 302 G N -0.567 108.259 108.800 0.044 0.000 2.394 302 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 302 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 302 G C 1.594 176.458 174.900 -0.059 0.000 1.165 302 G CA 0.667 45.763 45.100 -0.007 0.000 0.784 302 G HN 0.288 nan 8.290 nan 0.000 0.535 303 L N 0.962 122.105 121.223 -0.134 0.000 2.046 303 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 303 L C 2.725 179.547 176.870 -0.079 0.000 1.077 303 L CA 2.311 57.049 54.840 -0.169 0.000 0.747 303 L CB -0.461 41.418 42.059 -0.300 0.000 0.896 303 L HN 0.301 nan 8.230 nan 0.000 0.432 304 K N -0.788 119.572 120.400 -0.066 0.000 2.097 304 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 304 K C 1.923 178.535 176.600 0.019 0.000 1.049 304 K CA 1.355 57.633 56.287 -0.014 0.000 0.933 304 K CB -0.203 32.286 32.500 -0.017 0.000 0.717 304 K HN 0.357 nan 8.250 nan 0.000 0.442 305 A N 1.685 124.519 122.820 0.024 0.000 1.969 305 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 305 A C 2.128 179.734 177.584 0.037 0.000 1.169 305 A CA 1.402 53.461 52.037 0.037 0.000 0.635 305 A CB -0.541 18.483 19.000 0.041 0.000 0.810 305 A HN 0.511 nan 8.150 nan 0.000 0.445 306 M N -0.184 119.432 119.600 0.027 0.000 2.132 306 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 306 M C 1.853 178.202 176.300 0.082 0.000 1.065 306 M CA 1.655 56.985 55.300 0.050 0.000 1.122 306 M CB -0.757 31.855 32.600 0.021 0.000 1.365 306 M HN 0.417 nan 8.290 nan 0.000 0.411 307 L N 0.526 121.793 121.223 0.072 0.000 2.017 307 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 307 L C 2.583 179.500 176.870 0.079 0.000 1.073 307 L CA 1.521 56.417 54.840 0.094 0.000 0.745 307 L CB -0.851 41.251 42.059 0.070 0.000 0.894 307 L HN 0.341 nan 8.230 nan 0.000 0.432 308 E N 0.247 120.483 120.200 0.060 0.000 2.072 308 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 308 E C 2.204 178.830 176.600 0.042 0.000 0.985 308 E CA 1.360 57.791 56.400 0.051 0.000 0.801 308 E CB -0.538 29.189 29.700 0.044 0.000 0.750 308 E HN 0.528 nan 8.360 nan 0.000 0.452 309 G N 2.409 111.233 108.800 0.040 0.000 2.453 309 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.215 309 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.215 309 G C 1.884 176.784 174.900 0.001 0.000 1.201 309 G CA 1.989 47.100 45.100 0.019 0.000 0.784 309 G HN 0.430 nan 8.290 nan 0.000 0.545 310 S N 1.468 117.207 115.700 0.065 0.000 2.387 310 S HA -0.030 4.440 4.470 -0.000 0.000 0.230 310 S C 2.569 177.257 174.600 0.145 0.000 1.035 310 S CA 1.813 60.102 58.200 0.148 0.000 1.014 310 S CB -0.621 62.745 63.200 0.277 0.000 0.836 310 S HN 0.735 nan 8.310 nan 0.000 0.466 311 A N 1.573 124.450 122.820 0.096 0.000 2.019 311 A HA 0.335 4.655 4.320 -0.000 0.000 0.219 311 A C 2.429 180.030 177.584 0.028 0.000 1.164 311 A CA 1.689 53.771 52.037 0.075 0.000 0.644 311 A CB -1.168 17.870 19.000 0.064 0.000 0.805 311 A HN 0.927 nan 8.150 nan 0.000 0.449 312 A N -0.531 122.281 122.820 -0.013 0.000 1.943 312 A HA 0.023 4.343 4.320 -0.000 0.000 0.213 312 A C 1.687 179.190 177.584 -0.134 0.000 1.181 312 A CA 1.249 53.255 52.037 -0.052 0.000 0.653 312 A CB -0.192 18.783 19.000 -0.042 0.000 0.833 312 A HN 0.400 nan 8.150 nan 0.000 0.451 313 D N -1.000 119.241 120.400 -0.265 0.000 2.149 313 D HA -0.023 4.617 4.640 -0.000 0.000 0.201 313 D C -0.295 175.622 176.300 -0.638 0.000 0.972 313 D CA 0.937 54.574 54.000 -0.604 0.000 0.835 313 D CB -0.189 39.865 40.800 -1.244 0.000 0.966 313 D HN 0.493 nan 8.370 nan 0.000 0.476 314 Y N 0.140 120.315 120.300 -0.207 0.000 2.327 314 Y HA 0.414 4.964 4.550 -0.000 0.000 0.336 314 Y C 1.246 177.104 175.900 -0.072 0.000 1.035 314 Y CA -0.718 57.315 58.100 -0.111 0.000 1.165 314 Y CB 1.548 39.970 38.460 -0.062 0.000 1.181 314 Y HN -0.170 nan 8.280 nan 0.000 0.494 315 A N 2.615 125.481 122.820 0.077 0.000 2.015 315 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 315 A C 0.716 178.307 177.584 0.012 0.000 1.163 315 A CA 1.148 53.193 52.037 0.014 0.000 0.646 315 A CB -0.186 18.812 19.000 -0.003 0.000 0.806 315 A HN 0.797 nan 8.150 nan 0.000 0.448 316 Q N -1.244 118.605 119.800 0.083 0.000 3.122 316 Q HA 0.368 4.708 4.340 -0.000 0.000 0.282 316 Q C 0.454 176.515 176.000 0.101 0.000 0.947 316 Q CA -0.131 55.717 55.803 0.074 0.000 0.812 316 Q CB 1.136 29.932 28.738 0.097 0.000 1.333 316 Q HN 0.117 nan 8.270 nan 0.000 0.430 317 V N 1.229 121.202 119.914 0.098 0.000 2.380 317 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 317 V C 1.010 177.114 176.094 0.017 0.000 1.063 317 V CA 2.356 64.687 62.300 0.052 0.000 1.055 317 V CB 0.133 32.005 31.823 0.082 0.000 0.657 317 V HN 0.729 nan 8.190 nan 0.000 0.455 318 D N -0.496 119.961 120.400 0.095 0.000 2.378 318 D HA -0.115 4.524 4.640 -0.000 0.000 0.222 318 D C 1.133 177.534 176.300 0.169 0.000 0.980 318 D CA 0.993 55.071 54.000 0.130 0.000 0.907 318 D CB -0.037 40.911 40.800 0.246 0.000 0.899 318 D HN 0.531 nan 8.370 nan 0.000 0.527 319 D N 0.253 120.764 120.400 0.185 0.000 2.379 319 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 319 D C 0.508 176.893 176.300 0.142 0.000 1.065 319 D CA 0.205 54.379 54.000 0.290 0.000 0.848 319 D CB 0.439 41.451 40.800 0.354 0.000 0.949 319 D HN 0.060 nan 8.370 nan 0.000 0.509 320 Q N 0.634 120.407 119.800 -0.045 0.000 2.332 320 Q HA 0.199 4.539 4.340 -0.000 0.000 0.263 320 Q C -0.044 175.864 176.000 -0.154 0.000 0.979 320 Q CA -0.200 55.509 55.803 -0.156 0.000 0.885 320 Q CB 1.610 30.135 28.738 -0.355 0.000 1.218 320 Q HN -0.110 nan 8.270 nan 0.000 0.405 321 V N 3.304 123.129 119.914 -0.148 0.000 2.385 321 V HA 0.246 4.366 4.120 -0.000 0.000 0.269 321 V C 0.619 176.680 176.094 -0.054 0.000 1.043 321 V CA -0.483 61.702 62.300 -0.191 0.000 0.906 321 V CB 0.760 32.323 31.823 -0.434 0.000 0.995 321 V HN 0.895 nan 8.190 nan 0.000 0.467 322 T N 2.797 117.244 114.554 -0.178 0.000 2.902 322 T HA 0.868 5.218 4.350 -0.000 0.000 0.280 322 T C -0.627 174.146 174.700 0.121 0.000 0.992 322 T CA -0.462 61.467 62.100 -0.285 0.000 1.015 322 T CB 1.633 69.961 68.868 -0.900 0.000 1.044 322 T HN 0.725 nan 8.240 nan 0.000 0.520 323 F N -0.947 118.976 119.950 -0.045 0.000 2.842 323 F HA 0.508 5.035 4.527 -0.000 0.000 0.319 323 F C 0.069 175.945 175.800 0.128 0.000 1.159 323 F CA -1.339 56.684 58.000 0.038 0.000 0.902 323 F CB 0.579 39.592 39.000 0.022 0.000 1.311 323 F HN 0.593 nan 8.300 nan 0.000 0.453 324 I N -1.489 119.213 120.570 0.221 0.000 4.187 324 I HA 0.441 4.611 4.170 -0.000 0.000 0.326 324 I C -0.850 175.468 176.117 0.336 0.000 1.302 324 I CA 0.262 61.654 61.300 0.153 0.000 1.196 324 I CB 0.592 38.546 38.000 -0.077 0.000 1.095 324 I HN 0.681 nan 8.210 nan 0.000 0.411 325 D N 0.840 121.498 120.400 0.431 0.000 2.710 325 D HA 0.399 5.039 4.640 -0.000 0.000 0.276 325 D C -1.069 175.301 176.300 0.117 0.000 1.267 325 D CA -0.619 53.586 54.000 0.341 0.000 0.772 325 D CB 0.864 41.829 40.800 0.275 0.000 1.299 325 D HN 0.326 nan 8.370 nan 0.000 0.421 326 N N -2.465 116.078 118.700 -0.261 0.000 3.441 326 N HA 0.133 4.873 4.740 -0.000 0.000 0.313 326 N C 0.627 175.559 175.510 -0.963 0.000 1.526 326 N CA -0.465 52.105 53.050 -0.801 0.000 0.871 326 N CB -0.230 37.946 38.487 -0.520 0.000 1.779 326 N HN 0.566 nan 8.380 nan 0.000 0.529 327 H N -1.786 116.823 119.070 -0.767 0.000 2.560 327 H HA 0.112 4.668 4.556 -0.000 0.000 0.283 327 H C -0.698 174.586 175.328 -0.073 0.000 1.028 327 H CA 0.967 56.827 56.048 -0.313 0.000 1.221 327 H CB -0.296 29.525 29.762 0.098 0.000 1.363 327 H HN 0.502 nan 8.280 nan 0.000 0.594 328 D N 0.376 120.478 120.400 -0.498 0.000 2.462 328 D HA 0.273 4.913 4.640 -0.000 0.000 0.221 328 D C 0.238 176.551 176.300 0.022 0.000 1.173 328 D CA 0.073 53.960 54.000 -0.189 0.000 0.831 328 D CB 0.576 41.306 40.800 -0.116 0.000 1.001 328 D HN 0.378 nan 8.370 nan 0.000 0.499 329 M N 0.036 119.643 119.600 0.011 0.000 2.622 329 M HA 0.250 4.730 4.480 -0.000 0.000 0.276 329 M C -0.590 175.749 176.300 0.065 0.000 1.265 329 M CA -0.953 54.409 55.300 0.102 0.000 0.850 329 M CB 2.709 35.428 32.600 0.199 0.000 1.720 329 M HN -0.222 nan 8.290 nan 0.000 0.465 330 E N 1.217 121.464 120.200 0.078 0.000 2.392 330 E HA 0.316 4.666 4.350 -0.000 0.000 0.259 330 E C -0.874 175.789 176.600 0.105 0.000 1.108 330 E CA -0.664 55.777 56.400 0.067 0.000 0.916 330 E CB 0.518 30.241 29.700 0.039 0.000 0.989 330 E HN 0.425 nan 8.360 nan 0.000 0.432 331 R N 0.907 121.480 120.500 0.122 0.000 2.590 331 R HA 0.002 4.342 4.340 -0.000 0.000 0.274 331 R C 0.611 177.045 176.300 0.224 0.000 1.061 331 R CA -0.205 56.012 56.100 0.195 0.000 1.081 331 R CB 0.155 30.570 30.300 0.191 0.000 0.984 331 R HN 0.630 nan 8.270 nan 0.000 0.448 332 F N 1.803 121.840 119.950 0.145 0.000 2.091 332 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 332 F C 1.265 177.170 175.800 0.175 0.000 1.103 332 F CA 1.638 59.726 58.000 0.147 0.000 1.228 332 F CB -0.271 38.818 39.000 0.148 0.000 0.984 332 F HN 0.532 nan 8.300 nan 0.000 0.477 333 H N 0.466 119.759 119.070 0.371 0.000 2.767 333 H HA 0.493 5.049 4.556 -0.000 0.000 0.316 333 H C -0.546 174.857 175.328 0.124 0.000 1.059 333 H CA -0.442 55.766 56.048 0.267 0.000 1.461 333 H CB 0.553 30.502 29.762 0.311 0.000 1.475 333 H HN 0.231 nan 8.280 nan 0.000 0.531 334 A N 3.993 126.547 122.820 -0.444 0.000 2.292 334 A HA 0.304 4.624 4.320 -0.000 0.000 0.319 334 A C 1.499 178.750 177.584 -0.556 0.000 1.206 334 A CA -0.013 51.805 52.037 -0.364 0.000 0.835 334 A CB 0.907 19.781 19.000 -0.211 0.000 1.164 334 A HN 0.902 nan 8.150 nan 0.000 0.505 335 S N 1.482 117.014 115.700 -0.281 0.000 2.414 335 S HA -0.233 4.237 4.470 -0.000 0.000 0.241 335 S C 1.568 176.096 174.600 -0.121 0.000 1.079 335 S CA 2.346 60.453 58.200 -0.154 0.000 1.087 335 S CB -0.403 62.759 63.200 -0.063 0.000 0.927 335 S HN 0.922 nan 8.310 nan 0.000 0.456 336 N N 0.052 118.675 118.700 -0.129 0.000 2.235 336 N HA 0.315 5.055 4.740 -0.000 0.000 0.209 336 N C -0.080 175.391 175.510 -0.065 0.000 1.122 336 N CA 0.306 53.315 53.050 -0.068 0.000 0.845 336 N CB 0.165 38.619 38.487 -0.055 0.000 1.004 336 N HN 0.341 nan 8.380 nan 0.000 0.499 337 A N 0.819 123.563 122.820 -0.128 0.000 2.282 337 A HA 0.326 4.645 4.320 -0.000 0.000 0.319 337 A C 0.150 177.805 177.584 0.119 0.000 1.121 337 A CA -0.635 51.381 52.037 -0.035 0.000 0.836 337 A CB 0.558 19.502 19.000 -0.093 0.000 1.146 337 A HN 0.198 nan 8.150 nan 0.000 0.494 338 N N 0.248 119.018 118.700 0.117 0.000 2.468 338 N HA 0.014 4.754 4.740 -0.000 0.000 0.265 338 N C 1.048 176.687 175.510 0.216 0.000 1.199 338 N CA 0.213 53.343 53.050 0.133 0.000 0.928 338 N CB 0.450 38.996 38.487 0.098 0.000 1.059 338 N HN 0.617 nan 8.380 nan 0.000 0.467 339 R N 2.336 122.920 120.500 0.139 0.000 2.193 339 R HA -0.131 4.208 4.340 -0.000 0.000 0.229 339 R C 1.554 177.944 176.300 0.149 0.000 1.110 339 R CA 0.860 56.999 56.100 0.065 0.000 0.988 339 R CB 0.012 30.153 30.300 -0.266 0.000 0.871 339 R HN 0.485 nan 8.270 nan 0.000 0.458 340 R N 1.787 122.362 120.500 0.125 0.000 2.159 340 R HA -0.117 4.222 4.340 -0.000 0.000 0.237 340 R C 1.536 177.936 176.300 0.165 0.000 1.131 340 R CA 1.560 57.735 56.100 0.126 0.000 0.982 340 R CB -0.057 30.304 30.300 0.101 0.000 0.868 340 R HN 0.098 nan 8.270 nan 0.000 0.453 341 K N 0.184 120.730 120.400 0.243 0.000 2.057 341 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 341 K C 2.109 178.904 176.600 0.325 0.000 1.049 341 K CA 1.615 58.108 56.287 0.343 0.000 0.931 341 K CB -0.457 32.300 32.500 0.428 0.000 0.714 341 K HN 0.298 nan 8.250 nan 0.000 0.440 342 L N 1.768 123.204 121.223 0.355 0.000 2.056 342 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 342 L C 2.100 178.897 176.870 -0.121 0.000 1.078 342 L CA 1.509 56.385 54.840 0.060 0.000 0.749 342 L CB -0.117 42.102 42.059 0.266 0.000 0.901 342 L HN 0.156 nan 8.230 nan 0.000 0.433 343 E N -0.510 119.700 120.200 0.016 0.000 2.051 343 E HA -0.287 4.063 4.350 -0.000 0.000 0.192 343 E C 2.208 178.747 176.600 -0.102 0.000 0.991 343 E CA 1.597 57.983 56.400 -0.024 0.000 0.799 343 E CB -0.170 29.564 29.700 0.058 0.000 0.748 343 E HN 0.615 nan 8.360 nan 0.000 0.449 344 Q N 0.265 120.001 119.800 -0.107 0.000 2.020 344 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 344 Q C 2.375 178.086 176.000 -0.482 0.000 0.982 344 Q CA 1.359 57.042 55.803 -0.200 0.000 0.838 344 Q CB -0.253 28.425 28.738 -0.100 0.000 0.899 344 Q HN 0.285 nan 8.270 nan 0.000 0.423 345 A N 0.879 123.286 122.820 -0.689 0.000 1.940 345 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 345 A C 2.066 179.429 177.584 -0.368 0.000 1.176 345 A CA 1.185 52.756 52.037 -0.777 0.000 0.631 345 A CB -0.713 17.764 19.000 -0.872 0.000 0.814 345 A HN 0.297 nan 8.150 nan 0.000 0.446 346 L N -1.028 120.016 121.223 -0.298 0.000 1.994 346 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 346 L C 3.171 179.982 176.870 -0.099 0.000 1.071 346 L CA 1.143 55.881 54.840 -0.169 0.000 0.745 346 L CB -0.620 41.350 42.059 -0.149 0.000 0.892 346 L HN 0.452 nan 8.230 nan 0.000 0.431 347 A N -0.185 122.578 122.820 -0.095 0.000 1.917 347 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 347 A C 2.165 179.764 177.584 0.025 0.000 1.182 347 A CA 1.894 53.902 52.037 -0.048 0.000 0.633 347 A CB -0.959 18.012 19.000 -0.048 0.000 0.819 347 A HN 0.428 nan 8.150 nan 0.000 0.448 348 F N 1.357 121.246 119.950 -0.101 0.000 2.069 348 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 348 F C 2.519 178.380 175.800 0.101 0.000 1.113 348 F CA 2.431 60.447 58.000 0.027 0.000 1.214 348 F CB -0.788 38.149 39.000 -0.105 0.000 0.978 348 F HN 0.218 nan 8.300 nan 0.000 0.474 349 T N 1.677 116.274 114.554 0.072 0.000 2.708 349 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 349 T C 2.136 176.774 174.700 -0.104 0.000 1.037 349 T CA 1.853 63.976 62.100 0.038 0.000 1.146 349 T CB -0.634 68.302 68.868 0.113 0.000 0.865 349 T HN 0.258 nan 8.240 nan 0.000 0.435 350 L N 1.321 122.493 121.223 -0.085 0.000 2.191 350 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 350 L C 2.654 179.452 176.870 -0.119 0.000 1.103 350 L CA 1.447 56.224 54.840 -0.105 0.000 0.769 350 L CB -0.954 41.048 42.059 -0.095 0.000 0.908 350 L HN 0.450 nan 8.230 nan 0.000 0.438 351 T N -5.669 108.821 114.554 -0.106 0.000 3.069 351 T HA 0.180 4.530 4.350 -0.000 0.000 0.252 351 T C 0.787 175.458 174.700 -0.049 0.000 1.053 351 T CA -0.281 61.777 62.100 -0.070 0.000 0.964 351 T CB 0.304 69.155 68.868 -0.028 0.000 1.005 351 T HN 0.006 nan 8.240 nan 0.000 0.532 352 S N 2.195 117.785 115.700 -0.183 0.000 2.713 352 S HA 0.611 5.081 4.470 -0.000 0.000 0.283 352 S C 0.319 174.804 174.600 -0.191 0.000 1.161 352 S CA -1.038 57.021 58.200 -0.235 0.000 0.999 352 S CB 0.891 63.832 63.200 -0.431 0.000 1.039 352 S HN 0.612 nan 8.310 nan 0.000 0.548 353 R N 0.788 121.201 120.500 -0.145 0.000 2.694 353 R HA 0.592 4.932 4.340 -0.000 0.000 0.268 353 R C 0.547 176.720 176.300 -0.212 0.000 1.061 353 R CA 0.420 56.447 56.100 -0.122 0.000 1.133 353 R CB -1.386 28.892 30.300 -0.036 0.000 1.020 353 R HN 0.940 nan 8.270 nan 0.000 0.475 354 G N -0.055 108.649 108.800 -0.161 0.000 2.384 354 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.204 354 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.204 354 G C -1.569 173.218 174.900 -0.188 0.000 1.237 354 G CA -0.383 44.608 45.100 -0.181 0.000 1.060 354 G HN 0.676 nan 8.290 nan 0.000 0.514 355 V N 2.787 122.582 119.914 -0.199 0.000 2.304 355 V HA 0.520 4.640 4.120 -0.000 0.000 0.278 355 V C -2.008 173.974 176.094 -0.186 0.000 1.018 355 V CA -1.054 61.128 62.300 -0.197 0.000 0.814 355 V CB 1.555 33.246 31.823 -0.219 0.000 1.021 355 V HN 0.642 nan 8.190 nan 0.000 0.440 356 P HA 0.419 nan 4.420 nan 0.000 0.276 356 P C -0.650 176.650 177.300 0.001 0.000 1.230 356 P CA 0.010 63.051 63.100 -0.098 0.000 0.776 356 P CB 1.324 32.962 31.700 -0.103 0.000 0.888 357 A N 4.240 127.112 122.820 0.086 0.000 2.355 357 A HA 0.726 5.046 4.320 -0.000 0.000 0.317 357 A C -0.573 177.119 177.584 0.179 0.000 1.094 357 A CA -0.833 51.318 52.037 0.189 0.000 0.764 357 A CB 0.756 19.950 19.000 0.324 0.000 1.230 357 A HN 0.469 nan 8.150 nan 0.000 0.448 358 I N 2.494 123.149 120.570 0.141 0.000 2.382 358 I HA 0.176 4.346 4.170 -0.000 0.000 0.286 358 I C -1.014 175.084 176.117 -0.033 0.000 1.002 358 I CA -0.654 60.696 61.300 0.084 0.000 1.135 358 I CB 1.377 39.441 38.000 0.107 0.000 1.288 358 I HN 0.723 nan 8.210 nan 0.000 0.448 359 Y N 8.678 128.894 120.300 -0.141 0.000 2.569 359 Y HA 0.036 4.586 4.550 -0.000 0.000 0.332 359 Y C 0.122 175.819 175.900 -0.338 0.000 1.120 359 Y CA -0.935 57.039 58.100 -0.210 0.000 1.416 359 Y CB -0.004 38.382 38.460 -0.124 0.000 1.210 359 Y HN 0.445 nan 8.280 nan 0.000 0.528 360 Y N 4.139 123.981 120.300 -0.762 0.000 2.895 360 Y HA 0.289 4.839 4.550 -0.000 0.000 0.334 360 Y C 1.086 176.803 175.900 -0.306 0.000 1.261 360 Y CA -0.114 57.579 58.100 -0.678 0.000 1.560 360 Y CB -0.028 38.160 38.460 -0.452 0.000 1.253 360 Y HN 0.910 nan 8.280 nan 0.000 0.582 361 G N 2.144 110.932 108.800 -0.020 0.000 2.217 361 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.246 361 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.246 361 G C 0.868 175.714 174.900 -0.089 0.000 0.990 361 G CA 0.374 45.428 45.100 -0.076 0.000 0.627 361 G HN 0.844 nan 8.290 nan 0.000 0.522 362 T N 1.853 116.346 114.554 -0.103 0.000 2.635 362 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 362 T C 2.170 176.758 174.700 -0.187 0.000 1.040 362 T CA 2.050 64.099 62.100 -0.085 0.000 1.156 362 T CB -0.307 68.538 68.868 -0.038 0.000 0.863 362 T HN 0.790 nan 8.240 nan 0.000 0.430 363 E N 1.226 121.374 120.200 -0.085 0.000 2.396 363 E HA -0.185 4.165 4.350 -0.000 0.000 0.200 363 E C 1.376 177.860 176.600 -0.193 0.000 1.023 363 E CA 0.974 57.297 56.400 -0.128 0.000 0.857 363 E CB -0.221 29.537 29.700 0.095 0.000 0.775 363 E HN 0.448 nan 8.360 nan 0.000 0.525 364 Q N -0.378 119.356 119.800 -0.110 0.000 2.282 364 Q HA 0.057 4.397 4.340 -0.000 0.000 0.206 364 Q C -0.360 175.669 176.000 0.048 0.000 0.878 364 Q CA -0.248 55.553 55.803 -0.003 0.000 0.944 364 Q CB -0.151 28.631 28.738 0.073 0.000 1.100 364 Q HN 0.369 nan 8.270 nan 0.000 0.509 365 Y N -1.070 119.228 120.300 -0.003 0.000 3.689 365 Y HA -0.262 4.288 4.550 -0.000 0.000 0.221 365 Y C 0.260 176.202 175.900 0.069 0.000 1.247 365 Y CA 0.154 58.217 58.100 -0.062 0.000 1.671 365 Y CB -2.679 35.651 38.460 -0.217 0.000 1.521 365 Y HN 0.176 nan 8.280 nan 0.000 0.632 366 M N 0.281 119.962 119.600 0.134 0.000 2.239 366 M HA 0.244 4.724 4.480 -0.000 0.000 0.348 366 M C 0.650 177.053 176.300 0.173 0.000 1.239 366 M CA 0.779 56.142 55.300 0.104 0.000 1.114 366 M CB 0.601 33.181 32.600 -0.035 0.000 1.641 366 M HN 0.258 nan 8.290 nan 0.000 0.453 367 S N 0.883 116.672 115.700 0.148 0.000 2.621 367 S HA 0.944 5.414 4.470 -0.000 0.000 0.302 367 S C -0.098 174.542 174.600 0.067 0.000 1.093 367 S CA -0.757 57.515 58.200 0.120 0.000 1.017 367 S CB 2.131 65.378 63.200 0.079 0.000 1.077 367 S HN 0.950 nan 8.310 nan 0.000 0.517 368 G N -0.245 108.587 108.800 0.053 0.000 2.378 368 G HA2 0.480 4.440 3.960 -0.000 0.000 0.302 368 G HA3 0.480 4.440 3.960 -0.000 0.000 0.302 368 G C -0.297 174.626 174.900 0.039 0.000 1.669 368 G CA -0.322 44.801 45.100 0.039 0.000 0.920 368 G HN 0.883 nan 8.290 nan 0.000 0.697 369 G N -0.262 108.553 108.800 0.025 0.000 2.514 369 G HA2 0.696 4.656 3.960 -0.000 0.000 0.245 369 G HA3 0.696 4.656 3.960 -0.000 0.000 0.245 369 G C 1.034 175.950 174.900 0.026 0.000 1.488 369 G CA 0.758 45.870 45.100 0.020 0.000 1.063 369 G HN 1.645 nan 8.290 nan 0.000 0.557 370 T N -1.807 112.758 114.554 0.017 0.000 2.698 370 T HA 0.228 4.577 4.350 -0.000 0.000 0.295 370 T C 0.252 174.964 174.700 0.020 0.000 1.007 370 T CA 0.105 62.213 62.100 0.014 0.000 0.980 370 T CB 0.609 69.475 68.868 -0.004 0.000 1.036 370 T HN 0.463 nan 8.240 nan 0.000 0.526 371 D N 1.569 121.983 120.400 0.022 0.000 2.531 371 D HA 0.090 4.730 4.640 -0.000 0.000 0.239 371 D C -1.203 175.127 176.300 0.050 0.000 1.144 371 D CA -1.523 52.505 54.000 0.048 0.000 0.869 371 D CB 0.633 41.465 40.800 0.054 0.000 1.160 371 D HN 0.395 nan 8.370 nan 0.000 0.484 372 P HA 0.137 nan 4.420 nan 0.000 0.266 372 P C 0.065 177.386 177.300 0.035 0.000 1.381 372 P CA -0.151 62.992 63.100 0.073 0.000 0.940 372 P CB 0.499 32.239 31.700 0.067 0.000 1.435 373 D N 1.532 121.949 120.400 0.028 0.000 2.265 373 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 373 D C 1.130 177.447 176.300 0.030 0.000 0.977 373 D CA 1.062 55.074 54.000 0.021 0.000 0.871 373 D CB -0.313 40.498 40.800 0.017 0.000 0.925 373 D HN 0.378 nan 8.370 nan 0.000 0.485 374 N N 0.191 118.919 118.700 0.047 0.000 2.398 374 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 374 N C 0.676 176.238 175.510 0.088 0.000 1.122 374 N CA 0.118 53.219 53.050 0.086 0.000 0.866 374 N CB -0.066 38.487 38.487 0.111 0.000 0.970 374 N HN -0.024 nan 8.380 nan 0.000 0.462 375 R N 0.104 120.621 120.500 0.029 0.000 2.696 375 R HA 0.448 4.788 4.340 -0.000 0.000 0.355 375 R C -0.029 176.311 176.300 0.066 0.000 1.138 375 R CA -0.222 55.882 56.100 0.006 0.000 1.059 375 R CB 0.512 30.753 30.300 -0.097 0.000 1.380 375 R HN 0.224 nan 8.270 nan 0.000 0.578 376 A N 0.767 123.617 122.820 0.050 0.000 2.327 376 A HA 0.240 4.560 4.320 -0.000 0.000 0.255 376 A C -0.018 177.648 177.584 0.138 0.000 1.099 376 A CA -0.360 51.706 52.037 0.047 0.000 0.801 376 A CB 0.269 19.276 19.000 0.011 0.000 1.062 376 A HN 0.394 nan 8.150 nan 0.000 0.496 377 R N 0.587 121.134 120.500 0.078 0.000 2.438 377 R HA 0.262 4.602 4.340 -0.000 0.000 0.287 377 R C -0.138 176.201 176.300 0.065 0.000 1.077 377 R CA -0.320 55.832 56.100 0.088 0.000 1.034 377 R CB 0.204 30.509 30.300 0.009 0.000 0.993 377 R HN 0.705 nan 8.270 nan 0.000 0.459 378 I N 7.674 128.303 120.570 0.100 0.000 2.664 378 I HA 0.034 4.204 4.170 -0.000 0.000 0.284 378 I C -1.431 174.540 176.117 -0.243 0.000 1.154 378 I CA -1.573 59.711 61.300 -0.027 0.000 1.402 378 I CB 1.142 39.163 38.000 0.035 0.000 1.395 378 I HN 0.695 nan 8.210 nan 0.000 0.545 379 P HA -0.027 nan 4.420 nan 0.000 0.226 379 P C -0.245 176.875 177.300 -0.301 0.000 1.153 379 P CA 0.648 63.634 63.100 -0.191 0.000 0.777 379 P CB 0.037 31.680 31.700 -0.093 0.000 0.794 380 S N -1.725 113.698 115.700 -0.462 0.000 2.597 380 S HA 0.433 4.903 4.470 -0.000 0.000 0.274 380 S C -1.449 172.747 174.600 -0.673 0.000 1.132 380 S CA -0.787 57.106 58.200 -0.511 0.000 0.835 380 S CB -0.184 62.893 63.200 -0.205 0.000 1.092 380 S HN -0.203 nan 8.310 nan 0.000 0.457 381 F N 2.129 121.915 119.950 -0.273 0.000 2.798 381 F HA 0.527 5.054 4.527 -0.000 0.000 0.333 381 F C 0.995 176.719 175.800 -0.127 0.000 1.324 381 F CA -0.507 57.191 58.000 -0.504 0.000 1.183 381 F CB 0.827 39.404 39.000 -0.705 0.000 1.132 381 F HN 0.646 nan 8.300 nan 0.000 0.521 382 S N 0.198 115.962 115.700 0.106 0.000 2.562 382 S HA 0.341 4.811 4.470 -0.000 0.000 0.275 382 S C 1.072 175.621 174.600 -0.086 0.000 1.281 382 S CA -0.038 58.184 58.200 0.036 0.000 1.045 382 S CB 0.857 64.065 63.200 0.013 0.000 0.962 382 S HN 0.467 nan 8.310 nan 0.000 0.503 383 T N 0.965 115.324 114.554 -0.326 0.000 3.176 383 T HA 0.265 4.615 4.350 -0.000 0.000 0.263 383 T C 0.934 175.366 174.700 -0.447 0.000 1.021 383 T CA -0.236 61.265 62.100 -0.999 0.000 0.905 383 T CB -0.028 68.306 68.868 -0.891 0.000 1.057 383 T HN 0.379 nan 8.240 nan 0.000 0.558 384 S N 2.011 117.612 115.700 -0.164 0.000 2.548 384 S HA 0.134 4.604 4.470 -0.000 0.000 0.215 384 S C 1.281 175.916 174.600 0.058 0.000 0.976 384 S CA 0.180 58.362 58.200 -0.029 0.000 0.908 384 S CB -0.044 63.150 63.200 -0.010 0.000 0.781 384 S HN 0.900 nan 8.310 nan 0.000 0.519 385 T N -0.312 114.305 114.554 0.104 0.000 2.860 385 T HA 0.155 4.505 4.350 -0.000 0.000 0.299 385 T C 1.350 176.176 174.700 0.209 0.000 1.045 385 T CA -0.087 62.137 62.100 0.206 0.000 1.071 385 T CB 0.776 69.804 68.868 0.266 0.000 0.985 385 T HN -0.022 nan 8.240 nan 0.000 0.537 386 T N 1.783 116.479 114.554 0.237 0.000 2.737 386 T HA -0.013 4.337 4.350 -0.000 0.000 0.265 386 T C 2.431 177.217 174.700 0.142 0.000 1.038 386 T CA 1.402 63.611 62.100 0.181 0.000 1.144 386 T CB -0.908 68.073 68.868 0.189 0.000 0.866 386 T HN 0.818 nan 8.240 nan 0.000 0.434 387 A N 0.643 123.531 122.820 0.114 0.000 1.892 387 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 387 A C 2.080 179.644 177.584 -0.033 0.000 1.188 387 A CA 1.923 53.918 52.037 -0.070 0.000 0.631 387 A CB -1.182 17.565 19.000 -0.422 0.000 0.822 387 A HN 0.610 nan 8.150 nan 0.000 0.447 388 Y N 0.594 120.848 120.300 -0.077 0.000 2.128 388 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 388 Y C 2.562 178.429 175.900 -0.055 0.000 1.154 388 Y CA 2.456 60.520 58.100 -0.061 0.000 1.149 388 Y CB -0.323 38.123 38.460 -0.022 0.000 0.976 388 Y HN 0.468 nan 8.280 nan 0.000 0.505 389 Q N -1.137 118.771 119.800 0.180 0.000 2.230 389 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 389 Q C 2.311 178.300 176.000 -0.018 0.000 0.963 389 Q CA 1.388 57.247 55.803 0.092 0.000 0.866 389 Q CB -0.138 28.670 28.738 0.115 0.000 0.931 389 Q HN 0.381 nan 8.270 nan 0.000 0.452 390 V N 1.221 121.117 119.914 -0.030 0.000 2.261 390 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 390 V C 2.130 178.162 176.094 -0.105 0.000 1.047 390 V CA 1.690 63.955 62.300 -0.059 0.000 1.015 390 V CB -0.414 31.378 31.823 -0.052 0.000 0.642 390 V HN 0.344 nan 8.190 nan 0.000 0.446 391 I N -0.015 120.465 120.570 -0.149 0.000 2.264 391 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 391 I C 2.650 178.641 176.117 -0.210 0.000 1.111 391 I CA 1.920 63.108 61.300 -0.186 0.000 1.382 391 I CB -0.425 37.429 38.000 -0.243 0.000 1.060 391 I HN 0.435 nan 8.210 nan 0.000 0.418 392 Q N 1.334 120.986 119.800 -0.246 0.000 2.170 392 Q HA -0.200 4.139 4.340 -0.000 0.000 0.203 392 Q C 1.902 177.829 176.000 -0.122 0.000 0.976 392 Q CA 1.310 56.989 55.803 -0.207 0.000 0.858 392 Q CB 0.169 28.792 28.738 -0.192 0.000 0.907 392 Q HN 0.431 nan 8.270 nan 0.000 0.433 393 K N -0.156 120.185 120.400 -0.098 0.000 2.262 393 K HA 0.071 4.391 4.320 -0.000 0.000 0.200 393 K C 1.974 178.521 176.600 -0.089 0.000 1.049 393 K CA 0.384 56.625 56.287 -0.078 0.000 0.979 393 K CB 0.376 32.839 32.500 -0.062 0.000 0.773 393 K HN 0.303 nan 8.250 nan 0.000 0.474 394 L N 0.122 121.283 121.223 -0.103 0.000 2.316 394 L HA 0.103 4.443 4.340 -0.000 0.000 0.207 394 L C 2.508 179.310 176.870 -0.113 0.000 1.070 394 L CA 0.406 55.183 54.840 -0.105 0.000 0.820 394 L CB -0.480 41.517 42.059 -0.104 0.000 0.992 394 L HN 0.002 nan 8.230 nan 0.000 0.466 395 A N 1.498 124.244 122.820 -0.122 0.000 1.884 395 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 395 A C -0.182 177.326 177.584 -0.126 0.000 1.197 395 A CA 2.046 54.008 52.037 -0.126 0.000 0.637 395 A CB -1.992 16.927 19.000 -0.134 0.000 0.827 395 A HN 0.275 nan 8.150 nan 0.000 0.450 396 P HA -0.128 nan 4.420 nan 0.000 0.221 396 P C 1.241 178.471 177.300 -0.116 0.000 1.145 396 P CA 0.853 63.886 63.100 -0.113 0.000 0.795 396 P CB -0.262 31.380 31.700 -0.096 0.000 0.775 397 L N -1.126 120.029 121.223 -0.113 0.000 2.201 397 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 397 L C 2.602 179.385 176.870 -0.145 0.000 1.105 397 L CA 1.156 55.928 54.840 -0.114 0.000 0.775 397 L CB -0.769 41.229 42.059 -0.101 0.000 0.913 397 L HN -0.065 nan 8.230 nan 0.000 0.440 398 R N 0.299 120.700 120.500 -0.165 0.000 2.127 398 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 398 R C 2.138 178.292 176.300 -0.242 0.000 1.134 398 R CA 0.952 56.922 56.100 -0.215 0.000 0.975 398 R CB -0.086 30.085 30.300 -0.215 0.000 0.865 398 R HN 0.343 nan 8.270 nan 0.000 0.447 399 K N -0.091 120.192 120.400 -0.194 0.000 2.211 399 K HA -0.013 4.307 4.320 -0.000 0.000 0.201 399 K C 2.095 178.601 176.600 -0.157 0.000 1.052 399 K CA 1.091 57.267 56.287 -0.184 0.000 0.973 399 K CB 0.158 32.566 32.500 -0.153 0.000 0.766 399 K HN 0.356 nan 8.250 nan 0.000 0.466 400 C N 0.156 119.375 119.300 -0.134 0.000 2.926 400 C HA 0.312 4.771 4.460 -0.000 0.000 0.272 400 C C 0.573 175.501 174.990 -0.103 0.000 1.249 400 C CA -0.768 58.185 59.018 -0.108 0.000 1.691 400 C CB -0.897 26.790 27.740 -0.088 0.000 1.983 400 C HN 0.132 nan 8.230 nan 0.000 0.615 401 N N 1.586 120.213 118.700 -0.122 0.000 2.617 401 N HA 0.334 5.074 4.740 -0.000 0.000 0.263 401 N C -2.137 173.286 175.510 -0.145 0.000 1.074 401 N CA -1.772 51.219 53.050 -0.098 0.000 0.841 401 N CB 1.773 40.218 38.487 -0.071 0.000 1.221 401 N HN 0.030 nan 8.380 nan 0.000 0.529 402 P HA -0.059 nan 4.420 nan 0.000 0.222 402 P C 1.000 178.189 177.300 -0.185 0.000 1.147 402 P CA 0.685 63.636 63.100 -0.249 0.000 0.790 402 P CB 0.295 31.926 31.700 -0.115 0.000 0.780 403 A N -0.119 122.711 122.820 0.017 0.000 1.908 403 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 403 A C 2.265 179.842 177.584 -0.012 0.000 1.181 403 A CA 1.417 53.515 52.037 0.102 0.000 0.627 403 A CB -1.550 17.522 19.000 0.120 0.000 0.818 403 A HN 0.153 nan 8.150 nan 0.000 0.445 404 I N -0.644 119.869 120.570 -0.096 0.000 2.252 404 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 404 I C 2.886 178.860 176.117 -0.238 0.000 1.102 404 I CA 1.057 62.276 61.300 -0.135 0.000 1.385 404 I CB -0.146 37.773 38.000 -0.134 0.000 1.064 404 I HN 0.349 nan 8.210 nan 0.000 0.414 405 A N -0.445 122.120 122.820 -0.425 0.000 1.930 405 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 405 A C 1.450 178.607 177.584 -0.712 0.000 1.176 405 A CA 1.471 53.093 52.037 -0.691 0.000 0.632 405 A CB -0.350 18.007 19.000 -1.071 0.000 0.819 405 A HN 0.513 nan 8.150 nan 0.000 0.445 406 Y N -1.248 118.881 120.300 -0.284 0.000 2.610 406 Y HA 0.365 4.915 4.550 -0.000 0.000 0.254 406 Y C 1.378 177.287 175.900 0.015 0.000 1.110 406 Y CA -0.907 57.057 58.100 -0.226 0.000 1.238 406 Y CB -0.434 37.615 38.460 -0.684 0.000 1.322 406 Y HN 0.221 nan 8.280 nan 0.000 0.547 407 G N 0.830 109.743 108.800 0.189 0.000 2.572 407 G HA2 0.377 4.337 3.960 -0.000 0.000 0.261 407 G HA3 0.377 4.337 3.960 -0.000 0.000 0.261 407 G C 0.273 175.300 174.900 0.210 0.000 1.197 407 G CA -0.165 45.115 45.100 0.301 0.000 0.870 407 G HN 0.213 nan 8.290 nan 0.000 0.548 408 S N -0.873 114.948 115.700 0.201 0.000 2.617 408 S HA 0.536 5.006 4.470 -0.000 0.000 0.259 408 S C 0.068 174.751 174.600 0.139 0.000 1.301 408 S CA -0.345 57.944 58.200 0.148 0.000 0.984 408 S CB 1.259 64.534 63.200 0.125 0.000 0.954 408 S HN 0.570 nan 8.310 nan 0.000 0.572 409 T N 1.453 116.081 114.554 0.124 0.000 2.824 409 T HA 0.536 4.886 4.350 -0.000 0.000 0.282 409 T C -0.939 173.847 174.700 0.142 0.000 0.993 409 T CA -0.535 61.651 62.100 0.143 0.000 0.967 409 T CB 1.343 70.271 68.868 0.100 0.000 0.960 409 T HN 0.652 nan 8.240 nan 0.000 0.441 410 Q N 1.949 121.860 119.800 0.185 0.000 2.263 410 Q HA 0.195 4.535 4.340 -0.000 0.000 0.266 410 Q C -1.064 175.058 176.000 0.203 0.000 1.002 410 Q CA -0.609 55.290 55.803 0.160 0.000 0.790 410 Q CB 1.830 30.646 28.738 0.131 0.000 1.272 410 Q HN 0.638 nan 8.270 nan 0.000 0.435 411 E N 3.588 123.891 120.200 0.170 0.000 2.366 411 E HA -0.004 4.346 4.350 -0.000 0.000 0.266 411 E C -0.125 176.578 176.600 0.172 0.000 1.015 411 E CA 0.407 56.918 56.400 0.184 0.000 0.906 411 E CB 0.594 30.364 29.700 0.116 0.000 0.979 411 E HN 0.620 nan 8.360 nan 0.000 0.443 412 R N 3.479 124.111 120.500 0.220 0.000 2.287 412 R HA 0.126 4.465 4.340 -0.000 0.000 0.197 412 R C 0.127 176.606 176.300 0.298 0.000 0.900 412 R CA 0.068 56.300 56.100 0.219 0.000 1.052 412 R CB 0.628 31.056 30.300 0.214 0.000 1.117 412 R HN 0.526 nan 8.270 nan 0.000 0.568 413 W N 0.576 121.930 121.300 0.090 0.000 3.372 413 W HA 0.623 5.283 4.660 -0.000 0.000 0.315 413 W C -1.617 174.922 176.519 0.033 0.000 1.223 413 W CA -0.631 56.751 57.345 0.061 0.000 1.202 413 W CB 1.465 30.964 29.460 0.066 0.000 1.367 413 W HN -0.134 nan 8.180 nan 0.000 0.531 414 I N 5.927 126.430 120.570 -0.111 0.000 2.842 414 I HA 0.450 4.620 4.170 -0.000 0.000 0.297 414 I C -1.533 174.384 176.117 -0.332 0.000 1.380 414 I CA -0.473 60.749 61.300 -0.130 0.000 1.018 414 I CB 1.600 39.461 38.000 -0.232 0.000 1.311 414 I HN 0.642 nan 8.210 nan 0.000 0.439 415 N N 3.489 122.067 118.700 -0.203 0.000 3.418 415 N HA 0.337 5.077 4.740 -0.000 0.000 0.316 415 N C -0.600 174.832 175.510 -0.131 0.000 1.601 415 N CA -0.582 52.421 53.050 -0.080 0.000 0.805 415 N CB 0.366 38.894 38.487 0.067 0.000 1.873 415 N HN 0.633 nan 8.380 nan 0.000 0.615 416 N N -1.014 117.760 118.700 0.123 0.000 2.166 416 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 416 N C -0.276 175.214 175.510 -0.033 0.000 1.019 416 N CA 1.314 54.427 53.050 0.105 0.000 0.856 416 N CB -0.025 38.534 38.487 0.120 0.000 0.993 416 N HN 0.500 nan 8.380 nan 0.000 0.426 417 D N -0.252 120.143 120.400 -0.008 0.000 2.417 417 D HA 0.120 4.760 4.640 -0.000 0.000 0.207 417 D C -0.185 176.112 176.300 -0.005 0.000 1.075 417 D CA 0.262 54.247 54.000 -0.025 0.000 0.851 417 D CB 1.138 41.950 40.800 0.020 0.000 0.976 417 D HN -0.049 nan 8.370 nan 0.000 0.505 418 V N 1.577 121.519 119.914 0.046 0.000 2.628 418 V HA 0.487 4.607 4.120 -0.000 0.000 0.306 418 V C -0.730 175.440 176.094 0.126 0.000 1.045 418 V CA -0.910 61.461 62.300 0.119 0.000 0.905 418 V CB 2.742 34.707 31.823 0.236 0.000 0.997 418 V HN -0.070 nan 8.190 nan 0.000 0.436 419 L N 5.478 126.806 121.223 0.176 0.000 2.476 419 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 419 L C -1.151 175.931 176.870 0.353 0.000 0.965 419 L CA 0.078 55.058 54.840 0.234 0.000 0.845 419 L CB 1.578 43.738 42.059 0.168 0.000 1.259 419 L HN 0.565 nan 8.230 nan 0.000 0.403 420 I N 6.211 127.004 120.570 0.371 0.000 2.382 420 I HA 0.385 4.555 4.170 -0.000 0.000 0.286 420 I C -1.111 175.215 176.117 0.348 0.000 1.002 420 I CA -0.752 60.740 61.300 0.320 0.000 1.135 420 I CB 1.098 39.293 38.000 0.324 0.000 1.288 420 I HN 0.627 nan 8.210 nan 0.000 0.448 421 Y N 3.221 123.637 120.300 0.194 0.000 2.570 421 Y HA 0.743 5.293 4.550 -0.000 0.000 0.345 421 Y C -0.715 175.264 175.900 0.132 0.000 1.014 421 Y CA -1.439 56.757 58.100 0.159 0.000 1.063 421 Y CB 1.186 39.740 38.460 0.157 0.000 1.272 421 Y HN 0.515 nan 8.280 nan 0.000 0.477 422 E N 2.404 122.739 120.200 0.224 0.000 2.222 422 E HA 0.491 4.841 4.350 -0.000 0.000 0.267 422 E C -1.160 175.546 176.600 0.177 0.000 0.884 422 E CA -1.118 55.359 56.400 0.129 0.000 0.764 422 E CB 1.057 30.825 29.700 0.113 0.000 1.169 422 E HN 0.649 nan 8.360 nan 0.000 0.413 423 R N 3.441 124.020 120.500 0.132 0.000 2.460 423 R HA 0.477 4.817 4.340 -0.000 0.000 0.303 423 R C -0.745 175.633 176.300 0.130 0.000 0.968 423 R CA -0.696 55.488 56.100 0.140 0.000 0.889 423 R CB 1.571 31.938 30.300 0.112 0.000 1.123 423 R HN 0.488 nan 8.270 nan 0.000 0.455 424 K N 2.025 122.521 120.400 0.160 0.000 2.513 424 K HA 0.481 4.801 4.320 -0.000 0.000 0.251 424 K C -1.881 174.877 176.600 0.265 0.000 0.939 424 K CA -0.586 55.805 56.287 0.173 0.000 0.793 424 K CB 1.577 34.152 32.500 0.125 0.000 1.241 424 K HN 0.453 nan 8.250 nan 0.000 0.431 425 F N 3.719 123.717 119.950 0.079 0.000 2.839 425 F HA 0.407 4.933 4.527 -0.000 0.000 0.344 425 F C 0.201 176.040 175.800 0.065 0.000 1.242 425 F CA 0.705 58.756 58.000 0.086 0.000 1.091 425 F CB 1.197 40.273 39.000 0.127 0.000 1.374 425 F HN 0.806 nan 8.300 nan 0.000 0.553 426 G N 3.412 112.008 108.800 -0.340 0.000 2.583 426 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.292 426 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.292 426 G C 0.144 175.038 174.900 -0.010 0.000 1.203 426 G CA 0.065 45.031 45.100 -0.224 0.000 0.987 426 G HN 1.203 nan 8.290 nan 0.000 0.554 427 S N 2.300 118.029 115.700 0.049 0.000 2.704 427 S HA 0.419 4.889 4.470 -0.000 0.000 0.241 427 S C 0.073 174.773 174.600 0.167 0.000 1.264 427 S CA -0.289 57.990 58.200 0.131 0.000 1.236 427 S CB -0.285 62.993 63.200 0.131 0.000 0.928 427 S HN 0.594 nan 8.310 nan 0.000 0.492 428 N N 1.093 119.895 118.700 0.170 0.000 2.295 428 N HA 0.547 5.287 4.740 -0.000 0.000 0.293 428 N C -1.325 174.297 175.510 0.186 0.000 1.040 428 N CA -0.360 52.788 53.050 0.164 0.000 0.840 428 N CB 2.502 41.074 38.487 0.142 0.000 1.468 428 N HN 0.024 nan 8.380 nan 0.000 0.478 429 V N 0.156 120.186 119.914 0.192 0.000 3.007 429 V HA 0.883 5.003 4.120 -0.000 0.000 0.311 429 V C -0.729 175.424 176.094 0.099 0.000 1.120 429 V CA -0.876 61.511 62.300 0.145 0.000 0.980 429 V CB 1.947 33.853 31.823 0.138 0.000 1.033 429 V HN 0.835 nan 8.190 nan 0.000 0.429 430 A N 2.486 125.341 122.820 0.058 0.000 2.427 430 A HA 0.907 5.226 4.320 -0.000 0.000 0.298 430 A C -1.425 176.148 177.584 -0.018 0.000 1.036 430 A CA -0.555 51.490 52.037 0.012 0.000 0.701 430 A CB 2.002 20.991 19.000 -0.018 0.000 1.250 430 A HN 0.801 nan 8.150 nan 0.000 0.412 431 V N 2.356 122.255 119.914 -0.025 0.000 2.531 431 V HA 0.590 4.710 4.120 -0.000 0.000 0.301 431 V C -0.585 175.405 176.094 -0.172 0.000 1.034 431 V CA -0.558 61.731 62.300 -0.019 0.000 0.865 431 V CB 1.645 33.556 31.823 0.146 0.000 0.995 431 V HN 0.715 nan 8.190 nan 0.000 0.424 432 V N 3.488 123.152 119.914 -0.416 0.000 2.540 432 V HA 0.864 4.984 4.120 -0.000 0.000 0.302 432 V C 0.163 176.039 176.094 -0.364 0.000 1.035 432 V CA -0.528 61.432 62.300 -0.566 0.000 0.873 432 V CB 1.833 33.158 31.823 -0.830 0.000 0.992 432 V HN 1.005 nan 8.190 nan 0.000 0.428 433 A N 4.540 127.193 122.820 -0.277 0.000 2.331 433 A HA 0.923 5.243 4.320 -0.000 0.000 0.320 433 A C -0.963 176.649 177.584 0.046 0.000 1.138 433 A CA -0.555 51.474 52.037 -0.013 0.000 0.790 433 A CB 1.603 20.686 19.000 0.139 0.000 1.206 433 A HN 0.738 nan 8.150 nan 0.000 0.470 434 V N 2.462 122.478 119.914 0.171 0.000 2.638 434 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 434 V C -0.690 175.509 176.094 0.176 0.000 1.052 434 V CA -0.789 61.634 62.300 0.206 0.000 0.885 434 V CB 2.036 34.072 31.823 0.355 0.000 0.999 434 V HN 0.890 nan 8.190 nan 0.000 0.424 435 N N 2.992 121.782 118.700 0.150 0.000 2.696 435 N HA 0.286 5.025 4.740 -0.000 0.000 0.246 435 N C 1.062 176.645 175.510 0.121 0.000 1.057 435 N CA -0.828 52.290 53.050 0.113 0.000 0.867 435 N CB 1.156 39.696 38.487 0.087 0.000 1.141 435 N HN 0.640 nan 8.380 nan 0.000 0.517 436 R N 1.631 122.190 120.500 0.098 0.000 2.152 436 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 436 R C 0.485 176.833 176.300 0.080 0.000 1.117 436 R CA 0.707 56.868 56.100 0.102 0.000 0.981 436 R CB -0.513 29.759 30.300 -0.046 0.000 0.870 436 R HN 0.271 nan 8.270 nan 0.000 0.451 437 N N 1.419 120.152 118.700 0.055 0.000 2.423 437 N HA -0.054 4.685 4.740 -0.000 0.000 0.275 437 N C 0.008 175.554 175.510 0.060 0.000 1.283 437 N CA 0.060 53.139 53.050 0.049 0.000 0.932 437 N CB 0.658 39.170 38.487 0.042 0.000 1.185 437 N HN 0.134 nan 8.380 nan 0.000 0.483 438 L N 3.795 125.055 121.223 0.061 0.000 2.478 438 L HA 0.054 4.394 4.340 -0.000 0.000 0.223 438 L C 1.075 177.974 176.870 0.048 0.000 1.140 438 L CA 1.110 55.987 54.840 0.062 0.000 0.842 438 L CB -0.369 41.730 42.059 0.067 0.000 0.953 438 L HN 0.558 nan 8.230 nan 0.000 0.452 439 N N -1.409 117.315 118.700 0.040 0.000 2.273 439 N HA 0.290 5.030 4.740 -0.000 0.000 0.192 439 N C 0.245 175.774 175.510 0.032 0.000 1.132 439 N CA 0.349 53.419 53.050 0.034 0.000 0.887 439 N CB 0.673 39.176 38.487 0.028 0.000 1.048 439 N HN 0.143 nan 8.380 nan 0.000 0.490 440 A N 1.439 124.280 122.820 0.035 0.000 2.330 440 A HA 0.601 4.921 4.320 -0.000 0.000 0.313 440 A C -2.617 174.988 177.584 0.035 0.000 1.124 440 A CA -1.528 50.529 52.037 0.033 0.000 0.774 440 A CB 1.170 20.190 19.000 0.033 0.000 1.198 440 A HN -0.128 nan 8.150 nan 0.000 0.465 441 P HA 0.550 nan 4.420 nan 0.000 0.276 441 P C -0.503 176.804 177.300 0.012 0.000 1.261 441 P CA -0.236 62.879 63.100 0.024 0.000 0.800 441 P CB 1.299 33.012 31.700 0.022 0.000 1.066 442 A N 0.290 123.099 122.820 -0.018 0.000 2.414 442 A HA 0.554 4.874 4.320 -0.000 0.000 0.306 442 A C -0.439 177.056 177.584 -0.149 0.000 1.054 442 A CA -0.536 51.471 52.037 -0.051 0.000 0.724 442 A CB 0.998 19.967 19.000 -0.051 0.000 1.267 442 A HN 0.328 nan 8.150 nan 0.000 0.418 443 S N 1.305 116.930 115.700 -0.126 0.000 2.399 443 S HA 0.457 4.927 4.470 -0.000 0.000 0.301 443 S C -0.422 173.977 174.600 -0.334 0.000 1.093 443 S CA -0.116 57.974 58.200 -0.183 0.000 1.077 443 S CB -0.511 62.651 63.200 -0.062 0.000 0.980 443 S HN 0.454 nan 8.310 nan 0.000 0.494 444 I N 4.411 124.582 120.570 -0.666 0.000 2.307 444 I HA 0.288 4.457 4.170 -0.000 0.000 0.289 444 I C -0.005 175.730 176.117 -0.638 0.000 1.021 444 I CA 0.062 60.741 61.300 -1.034 0.000 1.224 444 I CB 1.057 38.033 38.000 -1.706 0.000 1.376 444 I HN 0.505 nan 8.210 nan 0.000 0.470 445 S N 3.302 118.870 115.700 -0.220 0.000 2.548 445 S HA 0.790 5.260 4.470 -0.000 0.000 0.286 445 S C 0.454 175.201 174.600 0.245 0.000 1.098 445 S CA -0.288 57.915 58.200 0.004 0.000 0.930 445 S CB 1.912 65.144 63.200 0.052 0.000 1.070 445 S HN 1.043 nan 8.310 nan 0.000 0.480 446 G N 0.023 108.937 108.800 0.191 0.000 2.143 446 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.249 446 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.249 446 G C -0.237 174.825 174.900 0.270 0.000 0.981 446 G CA 0.048 45.281 45.100 0.222 0.000 0.665 446 G HN 1.067 nan 8.290 nan 0.000 0.528 447 L N 1.305 122.663 121.223 0.224 0.000 2.477 447 L HA 0.614 4.954 4.340 -0.000 0.000 0.272 447 L C 0.227 177.182 176.870 0.141 0.000 1.157 447 L CA -0.206 54.768 54.840 0.224 0.000 0.889 447 L CB 1.207 43.342 42.059 0.127 0.000 1.158 447 L HN 0.089 nan 8.230 nan 0.000 0.473 448 V N 5.044 125.043 119.914 0.141 0.000 2.495 448 V HA 0.736 4.856 4.120 -0.000 0.000 0.298 448 V C 0.268 176.400 176.094 0.064 0.000 1.031 448 V CA 0.061 62.409 62.300 0.080 0.000 0.871 448 V CB 1.859 33.725 31.823 0.073 0.000 0.988 448 V HN 0.996 nan 8.190 nan 0.000 0.432 449 T N 0.488 115.054 114.554 0.020 0.000 2.804 449 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 449 T C 0.390 175.081 174.700 -0.015 0.000 1.099 449 T CA -0.356 61.746 62.100 0.005 0.000 1.011 449 T CB 1.928 70.771 68.868 -0.041 0.000 1.291 449 T HN 0.313 nan 8.240 nan 0.000 0.523 450 S N 0.077 115.766 115.700 -0.018 0.000 2.597 450 S HA 0.328 4.798 4.470 -0.000 0.000 0.224 450 S C 0.495 175.049 174.600 -0.076 0.000 0.955 450 S CA -0.484 57.700 58.200 -0.025 0.000 0.933 450 S CB -0.716 62.488 63.200 0.007 0.000 0.788 450 S HN 0.455 nan 8.310 nan 0.000 0.488 451 L N 2.615 123.763 121.223 -0.125 0.000 2.395 451 L HA 0.328 4.668 4.340 -0.000 0.000 0.269 451 L C -2.293 174.482 176.870 -0.158 0.000 1.133 451 L CA -2.191 52.528 54.840 -0.202 0.000 0.812 451 L CB 0.161 41.978 42.059 -0.403 0.000 1.125 451 L HN -0.065 nan 8.230 nan 0.000 0.452 452 P HA 0.009 nan 4.420 nan 0.000 0.272 452 P C -0.935 176.364 177.300 -0.001 0.000 1.223 452 P CA -0.466 62.525 63.100 -0.182 0.000 0.784 452 P CB 0.426 31.897 31.700 -0.382 0.000 0.923 453 Q N 0.789 120.573 119.800 -0.027 0.000 2.304 453 Q HA 0.336 4.676 4.340 -0.000 0.000 0.301 453 Q C 0.336 176.320 176.000 -0.027 0.000 1.063 453 Q CA 1.200 56.998 55.803 -0.007 0.000 0.947 453 Q CB -0.301 28.420 28.738 -0.029 0.000 1.201 453 Q HN 0.758 nan 8.270 nan 0.000 0.389 454 G N 1.554 110.332 108.800 -0.038 0.000 2.357 454 G HA2 0.071 4.031 3.960 -0.000 0.000 0.289 454 G HA3 0.071 4.031 3.960 -0.000 0.000 0.289 454 G C -1.506 173.274 174.900 -0.199 0.000 1.302 454 G CA -0.467 44.533 45.100 -0.166 0.000 0.936 454 G HN 0.571 nan 8.290 nan 0.000 0.513 455 S N -0.750 114.745 115.700 -0.342 0.000 2.503 455 S HA 0.814 5.284 4.470 -0.000 0.000 0.301 455 S C -1.486 172.859 174.600 -0.426 0.000 1.087 455 S CA -0.350 57.701 58.200 -0.248 0.000 1.042 455 S CB 1.006 64.113 63.200 -0.155 0.000 1.043 455 S HN 0.494 nan 8.310 nan 0.000 0.489 456 Y N 1.798 122.017 120.300 -0.134 0.000 2.409 456 Y HA 0.451 5.001 4.550 -0.000 0.000 0.343 456 Y C 0.241 176.171 175.900 0.050 0.000 0.973 456 Y CA -1.135 56.939 58.100 -0.042 0.000 1.064 456 Y CB 1.174 39.600 38.460 -0.057 0.000 1.207 456 Y HN 0.500 nan 8.280 nan 0.000 0.452 457 N N 1.491 120.342 118.700 0.252 0.000 2.498 457 N HA 0.085 4.825 4.740 -0.000 0.000 0.287 457 N C -0.965 174.731 175.510 0.309 0.000 1.097 457 N CA -0.624 52.559 53.050 0.220 0.000 0.973 457 N CB 0.808 39.359 38.487 0.107 0.000 1.153 457 N HN 0.650 nan 8.380 nan 0.000 0.472 458 D N 1.004 121.547 120.400 0.239 0.000 2.434 458 D HA -0.024 4.616 4.640 -0.000 0.000 0.252 458 D C 1.009 177.303 176.300 -0.009 0.000 1.185 458 D CA -0.072 53.959 54.000 0.052 0.000 0.886 458 D CB 0.658 41.443 40.800 -0.026 0.000 1.148 458 D HN 0.166 nan 8.370 nan 0.000 0.483 459 V N 4.418 124.292 119.914 -0.066 0.000 2.453 459 V HA -0.235 3.885 4.120 -0.000 0.000 0.252 459 V C 2.219 178.274 176.094 -0.064 0.000 1.068 459 V CA 1.381 63.651 62.300 -0.051 0.000 1.070 459 V CB -0.506 31.274 31.823 -0.071 0.000 0.664 459 V HN 0.669 nan 8.190 nan 0.000 0.461 460 L N 0.291 121.457 121.223 -0.096 0.000 2.610 460 L HA 0.186 4.526 4.340 -0.000 0.000 0.232 460 L C 1.760 178.608 176.870 -0.037 0.000 1.149 460 L CA 0.751 55.548 54.840 -0.071 0.000 0.872 460 L CB -0.698 41.307 42.059 -0.091 0.000 0.992 460 L HN 0.552 nan 8.230 nan 0.000 0.447 461 G N 0.125 108.911 108.800 -0.023 0.000 2.258 461 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.274 461 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.274 461 G C 0.993 175.896 174.900 0.005 0.000 1.021 461 G CA 0.399 45.499 45.100 -0.000 0.000 0.798 461 G HN 0.685 nan 8.290 nan 0.000 0.507 462 G N -1.889 106.910 108.800 -0.002 0.000 2.176 462 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.253 462 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.253 462 G C 1.192 176.097 174.900 0.009 0.000 0.979 462 G CA 0.967 46.072 45.100 0.010 0.000 0.641 462 G HN 1.496 nan 8.290 nan 0.000 0.530 463 L N 0.074 121.298 121.223 0.001 0.000 2.013 463 L HA 0.116 4.456 4.340 -0.000 0.000 0.212 463 L C 2.000 178.877 176.870 0.013 0.000 1.073 463 L CA 2.439 57.284 54.840 0.008 0.000 0.753 463 L CB -0.136 41.925 42.059 0.003 0.000 0.890 463 L HN 0.431 nan 8.230 nan 0.000 0.432 464 L N -0.317 120.907 121.223 0.000 0.000 3.108 464 L HA 0.275 4.615 4.340 -0.000 0.000 0.251 464 L C 0.119 176.999 176.870 0.016 0.000 1.315 464 L CA -0.229 54.617 54.840 0.010 0.000 1.048 464 L CB -0.599 41.461 42.059 0.001 0.000 1.432 464 L HN 0.303 nan 8.230 nan 0.000 0.543 465 N N -0.230 118.483 118.700 0.021 0.000 2.754 465 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 465 N C 0.607 176.141 175.510 0.040 0.000 1.093 465 N CA 0.734 53.805 53.050 0.035 0.000 0.699 465 N CB -0.948 37.566 38.487 0.045 0.000 1.016 465 N HN 0.631 nan 8.380 nan 0.000 0.552 466 G N -0.118 108.690 108.800 0.013 0.000 2.616 466 G HA2 0.483 4.443 3.960 -0.000 0.000 0.268 466 G HA3 0.483 4.443 3.960 -0.000 0.000 0.268 466 G C 0.248 175.194 174.900 0.078 0.000 1.213 466 G CA -0.177 44.928 45.100 0.008 0.000 0.926 466 G HN 0.418 nan 8.290 nan 0.000 0.523 467 N N -1.671 117.126 118.700 0.161 0.000 3.167 467 N HA 0.375 5.115 4.740 -0.000 0.000 0.323 467 N C -0.838 174.833 175.510 0.268 0.000 1.478 467 N CA -0.581 52.569 53.050 0.167 0.000 0.753 467 N CB 1.049 39.621 38.487 0.141 0.000 1.721 467 N HN 0.349 nan 8.380 nan 0.000 0.618 468 T N 0.509 115.130 114.554 0.113 0.000 2.918 468 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 468 T C -0.309 174.224 174.700 -0.279 0.000 1.001 468 T CA -0.331 61.798 62.100 0.049 0.000 1.041 468 T CB 0.735 69.602 68.868 -0.001 0.000 1.028 468 T HN 0.374 nan 8.240 nan 0.000 0.511 469 L N 1.044 121.968 121.223 -0.498 0.000 2.354 469 L HA 0.670 5.010 4.340 -0.000 0.000 0.269 469 L C -0.732 175.918 176.870 -0.367 0.000 1.005 469 L CA -0.166 54.182 54.840 -0.818 0.000 0.819 469 L CB 2.411 43.429 42.059 -1.735 0.000 1.311 469 L HN 0.558 nan 8.230 nan 0.000 0.423 470 S N 2.322 117.839 115.700 -0.305 0.000 2.707 470 S HA 0.642 5.111 4.470 -0.000 0.000 0.312 470 S C -1.087 173.452 174.600 -0.102 0.000 1.116 470 S CA -0.485 57.634 58.200 -0.134 0.000 1.078 470 S CB 1.414 64.555 63.200 -0.098 0.000 0.997 470 S HN 0.348 nan 8.310 nan 0.000 0.477 471 V N 3.425 123.321 119.914 -0.030 0.000 2.398 471 V HA 0.704 4.824 4.120 -0.000 0.000 0.286 471 V C 0.991 177.080 176.094 -0.008 0.000 1.026 471 V CA -0.378 61.911 62.300 -0.018 0.000 0.868 471 V CB 1.393 33.229 31.823 0.021 0.000 0.982 471 V HN 0.884 nan 8.190 nan 0.000 0.443 472 G N 3.062 111.853 108.800 -0.016 0.000 2.695 472 G HA2 0.501 4.461 3.960 -0.000 0.000 0.213 472 G HA3 0.501 4.461 3.960 -0.000 0.000 0.213 472 G C 0.215 175.107 174.900 -0.013 0.000 1.406 472 G CA 0.057 45.149 45.100 -0.014 0.000 1.049 472 G HN 0.848 nan 8.290 nan 0.000 0.573 473 S N -1.858 113.835 115.700 -0.012 0.000 2.603 473 S HA 0.457 4.927 4.470 -0.000 0.000 0.268 473 S C 1.267 175.861 174.600 -0.010 0.000 1.317 473 S CA 0.677 58.869 58.200 -0.013 0.000 1.012 473 S CB 0.992 64.185 63.200 -0.011 0.000 0.926 473 S HN 2.393 nan 8.310 nan 0.000 0.539 474 G N 0.720 109.513 108.800 -0.012 0.000 2.189 474 G HA2 0.040 4.000 3.960 -0.000 0.000 0.267 474 G HA3 0.040 4.000 3.960 -0.000 0.000 0.267 474 G C 1.245 176.140 174.900 -0.008 0.000 0.975 474 G CA 0.574 45.670 45.100 -0.007 0.000 0.644 474 G HN 2.422 nan 8.290 nan 0.000 0.537 475 G N -1.111 107.679 108.800 -0.018 0.000 2.166 475 G HA2 0.142 4.102 3.960 -0.000 0.000 0.260 475 G HA3 0.142 4.102 3.960 -0.000 0.000 0.260 475 G C 0.746 175.636 174.900 -0.017 0.000 0.986 475 G CA 1.296 46.380 45.100 -0.027 0.000 0.683 475 G HN 2.349 nan 8.290 nan 0.000 0.527 476 A N -0.039 122.778 122.820 -0.004 0.000 2.362 476 A HA 0.831 5.151 4.320 -0.000 0.000 0.276 476 A C 0.843 178.425 177.584 -0.003 0.000 1.153 476 A CA 0.873 52.916 52.037 0.010 0.000 0.813 476 A CB 0.593 19.607 19.000 0.023 0.000 1.081 476 A HN 2.023 nan 8.150 nan 0.000 0.507 477 A N 2.790 125.610 122.820 0.000 0.000 2.340 477 A HA 0.598 4.918 4.320 -0.000 0.000 0.268 477 A C 0.880 178.483 177.584 0.031 0.000 1.100 477 A CA 0.174 52.200 52.037 -0.020 0.000 0.803 477 A CB 0.020 19.000 19.000 -0.033 0.000 1.043 477 A HN 1.654 nan 8.150 nan 0.000 0.488 478 S N 1.815 117.528 115.700 0.022 0.000 2.652 478 S HA 0.275 4.745 4.470 -0.000 0.000 0.270 478 S C 0.014 174.689 174.600 0.125 0.000 1.243 478 S CA -0.795 57.434 58.200 0.049 0.000 0.999 478 S CB 0.121 63.334 63.200 0.021 0.000 0.973 478 S HN 0.727 nan 8.310 nan 0.000 0.544 479 N N 0.872 119.617 118.700 0.075 0.000 2.353 479 N HA 0.372 5.112 4.740 -0.000 0.000 0.248 479 N C -0.651 174.946 175.510 0.145 0.000 1.240 479 N CA 0.371 53.445 53.050 0.040 0.000 0.862 479 N CB -0.033 38.452 38.487 -0.003 0.000 1.086 479 N HN 0.649 nan 8.380 nan 0.000 0.453 480 F N -2.115 117.778 119.950 -0.095 0.000 2.713 480 F HA 0.476 5.003 4.527 -0.000 0.000 0.311 480 F C -1.073 174.679 175.800 -0.080 0.000 1.141 480 F CA -1.122 56.831 58.000 -0.079 0.000 0.939 480 F CB 1.009 39.958 39.000 -0.085 0.000 1.325 480 F HN 0.061 nan 8.300 nan 0.000 0.453 481 T N 3.254 117.864 114.554 0.092 0.000 2.771 481 T HA 0.540 4.889 4.350 -0.000 0.000 0.281 481 T C -1.168 173.624 174.700 0.153 0.000 0.982 481 T CA -0.315 61.786 62.100 0.001 0.000 0.978 481 T CB 1.192 70.079 68.868 0.032 0.000 0.930 481 T HN 0.708 nan 8.240 nan 0.000 0.447 482 L N 4.564 125.806 121.223 0.031 0.000 2.262 482 L HA 0.703 5.043 4.340 -0.000 0.000 0.288 482 L C 0.518 177.436 176.870 0.080 0.000 1.035 482 L CA -0.460 54.462 54.840 0.137 0.000 0.820 482 L CB -0.090 42.019 42.059 0.083 0.000 1.204 482 L HN 0.776 nan 8.230 nan 0.000 0.424 483 A N 4.369 127.250 122.820 0.102 0.000 2.577 483 A HA 0.445 4.765 4.320 -0.000 0.000 0.233 483 A C 0.630 178.252 177.584 0.063 0.000 1.076 483 A CA 0.352 52.433 52.037 0.073 0.000 0.767 483 A CB -0.216 18.827 19.000 0.073 0.000 1.017 483 A HN 1.189 nan 8.150 nan 0.000 0.511 484 A N 0.469 123.321 122.820 0.054 0.000 2.488 484 A HA 0.501 4.820 4.320 -0.000 0.000 0.249 484 A C 1.676 179.298 177.584 0.064 0.000 1.083 484 A CA 0.692 52.762 52.037 0.054 0.000 0.768 484 A CB -0.830 18.198 19.000 0.046 0.000 1.017 484 A HN 2.790 nan 8.150 nan 0.000 0.496 485 G N 1.779 110.624 108.800 0.076 0.000 2.175 485 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.265 485 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.265 485 G C 0.875 175.825 174.900 0.083 0.000 0.979 485 G CA 0.767 45.920 45.100 0.089 0.000 0.663 485 G HN 1.957 nan 8.290 nan 0.000 0.533 486 G N -0.569 108.279 108.800 0.079 0.000 2.441 486 G HA2 0.543 4.503 3.960 -0.000 0.000 0.243 486 G HA3 0.543 4.503 3.960 -0.000 0.000 0.243 486 G C -0.083 174.854 174.900 0.062 0.000 1.281 486 G CA 0.942 46.084 45.100 0.070 0.000 0.854 486 G HN 0.786 nan 8.290 nan 0.000 0.560 487 T N 0.353 114.916 114.554 0.015 0.000 3.011 487 T HA 0.650 4.999 4.350 -0.000 0.000 0.303 487 T C -0.308 174.299 174.700 -0.154 0.000 0.997 487 T CA -0.059 62.019 62.100 -0.037 0.000 1.007 487 T CB 1.693 70.552 68.868 -0.014 0.000 1.017 487 T HN 1.093 nan 8.240 nan 0.000 0.443 488 A N 2.472 125.094 122.820 -0.331 0.000 2.475 488 A HA 0.898 5.218 4.320 -0.000 0.000 0.301 488 A C -1.213 175.807 177.584 -0.941 0.000 1.059 488 A CA -0.737 50.901 52.037 -0.665 0.000 0.710 488 A CB 1.625 20.084 19.000 -0.902 0.000 1.288 488 A HN 0.660 nan 8.150 nan 0.000 0.408 489 V N 2.317 121.697 119.914 -0.890 0.000 2.531 489 V HA 0.569 4.689 4.120 -0.000 0.000 0.301 489 V C -1.024 174.685 176.094 -0.641 0.000 1.034 489 V CA -0.501 61.392 62.300 -0.677 0.000 0.865 489 V CB 1.339 32.959 31.823 -0.340 0.000 0.995 489 V HN 0.835 nan 8.190 nan 0.000 0.424 490 W N 3.777 125.011 121.300 -0.110 0.000 2.781 490 W HA 0.777 5.437 4.660 -0.000 0.000 0.345 490 W C -0.248 176.206 176.519 -0.109 0.000 1.085 490 W CA -0.610 56.672 57.345 -0.104 0.000 1.198 490 W CB 2.123 31.464 29.460 -0.198 0.000 1.423 490 W HN 0.724 nan 8.180 nan 0.000 0.532 491 Q N 1.050 120.967 119.800 0.195 0.000 2.575 491 Q HA 0.607 4.947 4.340 -0.000 0.000 0.290 491 Q C -2.413 173.759 176.000 0.286 0.000 0.963 491 Q CA -1.014 54.874 55.803 0.142 0.000 0.783 491 Q CB 3.346 32.136 28.738 0.087 0.000 1.467 491 Q HN 0.422 nan 8.270 nan 0.000 0.402 492 Y N 0.739 121.096 120.300 0.094 0.000 2.362 492 Y HA 0.559 5.109 4.550 -0.000 0.000 0.326 492 Y C -1.797 174.154 175.900 0.085 0.000 1.083 492 Y CA -0.034 58.151 58.100 0.141 0.000 1.073 492 Y CB 2.290 40.862 38.460 0.186 0.000 1.211 492 Y HN 0.919 nan 8.280 nan 0.000 0.433 493 T N 2.646 116.860 114.554 -0.567 0.000 2.893 493 T HA 1.011 5.360 4.350 -0.000 0.000 0.291 493 T C -0.716 173.588 174.700 -0.660 0.000 1.028 493 T CA -0.313 61.509 62.100 -0.462 0.000 0.995 493 T CB 1.828 70.573 68.868 -0.205 0.000 1.051 493 T HN 1.282 nan 8.240 nan 0.000 0.470 494 A N 1.203 123.799 122.820 -0.373 0.000 2.586 494 A HA 0.898 5.218 4.320 -0.000 0.000 0.290 494 A C -0.376 177.159 177.584 -0.081 0.000 1.086 494 A CA -0.755 51.142 52.037 -0.233 0.000 0.665 494 A CB 0.574 19.452 19.000 -0.204 0.000 1.279 494 A HN 1.699 nan 8.150 nan 0.000 0.423 495 A N 0.502 123.296 122.820 -0.043 0.000 2.511 495 A HA 0.547 4.867 4.320 -0.000 0.000 0.242 495 A C 0.424 178.008 177.584 0.001 0.000 1.069 495 A CA 0.651 52.678 52.037 -0.016 0.000 0.763 495 A CB -0.504 18.490 19.000 -0.010 0.000 1.001 495 A HN 0.948 nan 8.150 nan 0.000 0.498 496 T N 2.550 117.102 114.554 -0.005 0.000 2.771 496 T HA 0.442 4.792 4.350 -0.000 0.000 0.291 496 T C 1.306 175.999 174.700 -0.011 0.000 0.954 496 T CA 0.316 62.407 62.100 -0.014 0.000 1.045 496 T CB 1.520 70.365 68.868 -0.038 0.000 0.917 496 T HN 0.842 nan 8.240 nan 0.000 0.484 497 A N 3.214 126.033 122.820 -0.002 0.000 2.030 497 A HA 0.201 4.521 4.320 -0.000 0.000 0.215 497 A C 1.422 179.019 177.584 0.022 0.000 1.164 497 A CA 0.295 52.340 52.037 0.014 0.000 0.697 497 A CB -0.144 18.867 19.000 0.019 0.000 0.827 497 A HN 0.756 nan 8.150 nan 0.000 0.457 498 T N -1.609 112.948 114.554 0.005 0.000 2.925 498 T HA 0.583 4.933 4.350 -0.000 0.000 0.285 498 T C -3.240 171.476 174.700 0.026 0.000 1.021 498 T CA -2.583 59.531 62.100 0.024 0.000 1.042 498 T CB 1.588 70.463 68.868 0.012 0.000 1.037 498 T HN -0.043 nan 8.240 nan 0.000 0.481 499 P HA 0.295 nan 4.420 nan 0.000 0.267 499 P C -0.667 176.702 177.300 0.114 0.000 1.209 499 P CA -0.093 63.127 63.100 0.200 0.000 0.763 499 P CB 0.171 32.102 31.700 0.384 0.000 0.816 500 T N 4.636 119.201 114.554 0.018 0.000 2.890 500 T HA 0.453 4.802 4.350 -0.000 0.000 0.295 500 T C 0.261 175.024 174.700 0.105 0.000 0.993 500 T CA -0.377 61.689 62.100 -0.057 0.000 0.979 500 T CB 0.418 69.058 68.868 -0.380 0.000 0.967 500 T HN 0.187 nan 8.240 nan 0.000 0.441 501 I N 2.640 123.338 120.570 0.214 0.000 2.352 501 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 501 I C 1.430 177.684 176.117 0.229 0.000 1.036 501 I CA -0.003 61.445 61.300 0.246 0.000 1.336 501 I CB 1.174 39.265 38.000 0.151 0.000 1.407 501 I HN 0.877 nan 8.210 nan 0.000 0.497 502 G N 5.061 113.841 108.800 -0.032 0.000 2.719 502 G HA2 0.023 3.982 3.960 -0.000 0.000 0.211 502 G HA3 0.023 3.982 3.960 -0.000 0.000 0.211 502 G C 0.370 175.058 174.900 -0.354 0.000 1.140 502 G CA 0.351 45.184 45.100 -0.446 0.000 0.790 502 G HN 0.628 nan 8.290 nan 0.000 0.529 503 H N -1.500 117.288 119.070 -0.469 0.000 3.024 503 H HA 0.480 5.036 4.556 -0.000 0.000 0.324 503 H C -2.159 172.855 175.328 -0.523 0.000 1.347 503 H CA -0.287 55.554 56.048 -0.344 0.000 1.182 503 H CB 1.884 31.584 29.762 -0.103 0.000 1.889 503 H HN -0.085 nan 8.280 nan 0.000 0.528 504 V N 1.336 120.779 119.914 -0.784 0.000 2.851 504 V HA 0.708 4.828 4.120 -0.000 0.000 0.307 504 V C -0.066 175.946 176.094 -0.138 0.000 1.129 504 V CA -0.084 61.954 62.300 -0.437 0.000 0.932 504 V CB 1.943 33.363 31.823 -0.671 0.000 1.024 504 V HN 0.981 nan 8.190 nan 0.000 0.426 505 G N 3.757 112.618 108.800 0.102 0.000 2.702 505 G HA2 0.708 4.668 3.960 -0.000 0.000 0.296 505 G HA3 0.708 4.668 3.960 -0.000 0.000 0.296 505 G C -3.454 171.571 174.900 0.208 0.000 1.463 505 G CA -0.981 44.254 45.100 0.226 0.000 0.890 505 G HN 0.495 nan 8.290 nan 0.000 0.534 506 P HA 0.228 nan 4.420 nan 0.000 0.274 506 P C 0.463 177.934 177.300 0.284 0.000 1.260 506 P CA -0.349 62.877 63.100 0.210 0.000 0.793 506 P CB 0.945 32.730 31.700 0.141 0.000 1.048 507 M N -0.646 119.029 119.600 0.126 0.000 2.428 507 M HA 0.258 4.738 4.480 -0.000 0.000 0.239 507 M C 0.628 176.593 176.300 -0.558 0.000 1.121 507 M CA 0.494 55.785 55.300 -0.016 0.000 1.019 507 M CB -0.658 31.954 32.600 0.020 0.000 1.485 507 M HN 0.453 nan 8.290 nan 0.000 0.484 508 M N 0.606 119.988 119.600 -0.363 0.000 2.284 508 M HA 0.627 5.107 4.480 -0.000 0.000 0.281 508 M C -2.238 173.961 176.300 -0.169 0.000 1.083 508 M CA -0.239 54.814 55.300 -0.412 0.000 0.965 508 M CB 2.337 34.786 32.600 -0.251 0.000 1.717 508 M HN -0.010 nan 8.290 nan 0.000 0.479 509 A N 3.583 126.335 122.820 -0.114 0.000 2.567 509 A HA 0.593 4.912 4.320 -0.000 0.000 0.291 509 A C -1.783 175.822 177.584 0.035 0.000 1.048 509 A CA -0.950 51.096 52.037 0.014 0.000 0.661 509 A CB 1.557 20.614 19.000 0.095 0.000 1.288 509 A HN 0.968 nan 8.150 nan 0.000 0.424 510 K N 0.377 120.788 120.400 0.019 0.000 2.102 510 K HA 0.651 4.971 4.320 -0.000 0.000 0.244 510 K C -2.596 174.001 176.600 -0.005 0.000 1.021 510 K CA -1.424 54.867 56.287 0.007 0.000 0.913 510 K CB 0.281 32.779 32.500 -0.003 0.000 1.062 510 K HN 0.284 nan 8.250 nan 0.000 0.485 511 P HA 0.029 nan 4.420 nan 0.000 0.268 511 P C 0.442 177.698 177.300 -0.072 0.000 1.205 511 P CA 0.857 63.904 63.100 -0.087 0.000 0.771 511 P CB 0.738 32.379 31.700 -0.099 0.000 0.858 512 G N 0.668 109.411 108.800 -0.096 0.000 2.254 512 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.225 512 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.225 512 G C 0.096 174.968 174.900 -0.046 0.000 1.003 512 G CA -0.114 44.946 45.100 -0.068 0.000 0.622 512 G HN 0.531 nan 8.290 nan 0.000 0.507 513 V N 1.945 121.841 119.914 -0.029 0.000 2.924 513 V HA 0.507 4.627 4.120 -0.000 0.000 0.305 513 V C 1.019 177.111 176.094 -0.004 0.000 1.073 513 V CA 0.626 62.923 62.300 -0.004 0.000 1.098 513 V CB 1.499 33.339 31.823 0.028 0.000 1.000 513 V HN 0.313 nan 8.190 nan 0.000 0.484 514 T N 5.564 120.119 114.554 0.001 0.000 2.806 514 T HA 0.591 4.940 4.350 -0.000 0.000 0.290 514 T C -0.107 174.612 174.700 0.031 0.000 0.966 514 T CA -0.045 62.057 62.100 0.004 0.000 1.060 514 T CB 0.517 69.379 68.868 -0.010 0.000 0.927 514 T HN 0.594 nan 8.240 nan 0.000 0.485 515 I N -0.257 120.333 120.570 0.032 0.000 2.910 515 I HA 0.772 4.942 4.170 -0.000 0.000 0.310 515 I C -0.476 175.638 176.117 -0.005 0.000 1.043 515 I CA -0.875 60.452 61.300 0.045 0.000 1.053 515 I CB 2.236 40.263 38.000 0.045 0.000 1.242 515 I HN 0.325 nan 8.210 nan 0.000 0.452 516 T N 4.396 118.951 114.554 0.003 0.000 2.792 516 T HA 0.610 4.960 4.350 -0.000 0.000 0.280 516 T C -0.308 174.350 174.700 -0.071 0.000 0.990 516 T CA -0.196 61.886 62.100 -0.029 0.000 0.960 516 T CB 1.157 70.032 68.868 0.013 0.000 0.939 516 T HN 0.380 nan 8.240 nan 0.000 0.439 517 I N 3.473 123.959 120.570 -0.139 0.000 2.355 517 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 517 I C -0.373 175.714 176.117 -0.050 0.000 0.999 517 I CA -0.709 60.477 61.300 -0.190 0.000 1.163 517 I CB 1.227 39.011 38.000 -0.359 0.000 1.316 517 I HN 0.472 nan 8.210 nan 0.000 0.454 518 D N 4.672 125.058 120.400 -0.023 0.000 2.228 518 D HA 0.783 5.423 4.640 -0.000 0.000 0.247 518 D C 0.286 176.519 176.300 -0.113 0.000 0.995 518 D CA -0.005 53.989 54.000 -0.009 0.000 0.903 518 D CB 2.536 43.299 40.800 -0.063 0.000 1.205 518 D HN 0.758 nan 8.370 nan 0.000 0.459 519 G N 0.565 109.216 108.800 -0.248 0.000 2.512 519 G HA2 0.227 4.187 3.960 -0.000 0.000 0.181 519 G HA3 0.227 4.187 3.960 -0.000 0.000 0.181 519 G C -1.340 173.250 174.900 -0.517 0.000 1.173 519 G CA -0.628 44.238 45.100 -0.389 0.000 0.988 519 G HN 0.335 nan 8.290 nan 0.000 0.485 520 R N -0.855 119.265 120.500 -0.634 0.000 2.680 520 R HA 0.600 4.939 4.340 -0.000 0.000 0.269 520 R C 0.451 176.435 176.300 -0.527 0.000 1.026 520 R CA 0.007 55.819 56.100 -0.480 0.000 0.889 520 R CB 1.313 31.591 30.300 -0.037 0.000 1.241 520 R HN 2.314 nan 8.270 nan 0.000 0.463 521 G N 0.932 109.554 108.800 -0.298 0.000 2.136 521 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 521 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 521 G C 0.186 175.137 174.900 0.085 0.000 0.989 521 G CA 0.147 45.194 45.100 -0.088 0.000 0.682 521 G HN 0.431 nan 8.290 nan 0.000 0.522 522 F N 1.192 121.166 119.950 0.039 0.000 2.661 522 F HA 0.402 4.929 4.527 -0.000 0.000 0.298 522 F C 2.021 178.053 175.800 0.387 0.000 1.137 522 F CA 0.858 58.914 58.000 0.093 0.000 1.454 522 F CB -0.621 38.210 39.000 -0.282 0.000 1.103 522 F HN 1.093 nan 8.300 nan 0.000 0.577 523 G N 0.100 109.146 108.800 0.410 0.000 2.829 523 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.628 523 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.628 523 G C 0.680 175.845 174.900 0.441 0.000 1.412 523 G CA -0.041 45.269 45.100 0.350 0.000 0.864 523 G HN 0.461 nan 8.290 nan 0.000 0.544 524 S N -1.573 114.283 115.700 0.259 0.000 2.535 524 S HA 0.551 5.021 4.470 -0.000 0.000 0.214 524 S C 0.983 175.656 174.600 0.122 0.000 0.980 524 S CA 1.116 59.458 58.200 0.235 0.000 0.907 524 S CB 0.627 63.904 63.200 0.128 0.000 0.790 524 S HN 1.459 nan 8.310 nan 0.000 0.510 525 S N 1.667 117.345 115.700 -0.036 0.000 2.462 525 S HA 0.392 4.861 4.470 -0.000 0.000 0.294 525 S C -0.294 173.797 174.600 -0.848 0.000 1.144 525 S CA -0.724 57.312 58.200 -0.275 0.000 1.088 525 S CB 0.550 63.640 63.200 -0.183 0.000 1.009 525 S HN 0.348 nan 8.310 nan 0.000 0.484 526 K N 2.576 122.455 120.400 -0.869 0.000 2.511 526 K HA 0.126 4.446 4.320 -0.000 0.000 0.280 526 K C 0.801 176.615 176.600 -1.310 0.000 1.008 526 K CA 0.289 55.800 56.287 -1.293 0.000 1.050 526 K CB 0.363 32.550 32.500 -0.522 0.000 0.889 526 K HN 0.736 nan 8.250 nan 0.000 0.484 527 G N 1.722 109.306 108.800 -2.027 0.000 3.341 527 G HA2 0.355 4.315 3.960 -0.000 0.000 0.177 527 G HA3 0.355 4.315 3.960 -0.000 0.000 0.177 527 G C -0.766 173.905 174.900 -0.381 0.000 1.236 527 G CA -0.154 44.413 45.100 -0.888 0.000 0.888 527 G HN 0.508 nan 8.290 nan 0.000 0.644 528 T N -0.607 113.932 114.554 -0.025 0.000 2.916 528 T HA 0.559 4.909 4.350 -0.000 0.000 0.305 528 T C -1.224 173.481 174.700 0.009 0.000 1.119 528 T CA -0.264 61.802 62.100 -0.057 0.000 1.008 528 T CB 2.252 71.018 68.868 -0.170 0.000 1.129 528 T HN 0.304 nan 8.240 nan 0.000 0.480 529 V N 2.651 122.484 119.914 -0.135 0.000 2.459 529 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 529 V C -1.346 174.567 176.094 -0.303 0.000 1.029 529 V CA -0.806 61.407 62.300 -0.146 0.000 0.874 529 V CB 1.111 32.861 31.823 -0.121 0.000 0.985 529 V HN 0.796 nan 8.190 nan 0.000 0.438 530 Y N 3.683 123.898 120.300 -0.142 0.000 2.360 530 Y HA 0.595 5.145 4.550 -0.000 0.000 0.337 530 Y C -0.350 175.420 175.900 -0.216 0.000 1.039 530 Y CA -1.045 57.013 58.100 -0.069 0.000 1.109 530 Y CB 1.467 39.915 38.460 -0.020 0.000 1.201 530 Y HN 0.511 nan 8.280 nan 0.000 0.458 531 F N 2.528 122.519 119.950 0.068 0.000 2.307 531 F HA 0.520 5.047 4.527 -0.000 0.000 0.369 531 F C 0.952 176.862 175.800 0.184 0.000 1.076 531 F CA -0.184 57.813 58.000 -0.004 0.000 1.149 531 F CB 0.662 39.513 39.000 -0.248 0.000 1.410 531 F HN 0.813 nan 8.300 nan 0.000 0.481 532 G N 2.115 111.147 108.800 0.386 0.000 2.543 532 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.286 532 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.286 532 G C 1.104 176.178 174.900 0.290 0.000 1.153 532 G CA 0.462 45.797 45.100 0.393 0.000 0.968 532 G HN 0.715 nan 8.290 nan 0.000 0.544 533 T N -1.824 112.896 114.554 0.277 0.000 3.040 533 T HA 0.435 4.785 4.350 -0.000 0.000 0.250 533 T C 1.022 175.894 174.700 0.288 0.000 1.058 533 T CA 1.449 63.696 62.100 0.245 0.000 0.988 533 T CB 0.151 69.118 68.868 0.165 0.000 0.993 533 T HN 0.778 nan 8.240 nan 0.000 0.519 534 T N 3.180 117.889 114.554 0.259 0.000 2.851 534 T HA 0.633 4.983 4.350 -0.000 0.000 0.298 534 T C 0.128 174.897 174.700 0.116 0.000 0.977 534 T CA -0.404 61.796 62.100 0.167 0.000 1.126 534 T CB 0.946 69.877 68.868 0.105 0.000 0.916 534 T HN 0.529 nan 8.240 nan 0.000 0.529 535 A N 3.165 125.979 122.820 -0.010 0.000 2.312 535 A HA 0.712 5.032 4.320 -0.000 0.000 0.326 535 A C -0.521 176.964 177.584 -0.165 0.000 1.172 535 A CA -0.620 51.260 52.037 -0.262 0.000 0.821 535 A CB 0.786 19.588 19.000 -0.330 0.000 1.166 535 A HN 0.672 nan 8.150 nan 0.000 0.493 536 V N 2.422 122.214 119.914 -0.204 0.000 2.483 536 V HA 0.701 4.821 4.120 -0.000 0.000 0.297 536 V C 0.015 176.040 176.094 -0.114 0.000 1.027 536 V CA 0.039 62.280 62.300 -0.098 0.000 0.855 536 V CB 1.297 33.130 31.823 0.016 0.000 0.995 536 V HN 1.276 nan 8.190 nan 0.000 0.424 537 S N 2.755 118.401 115.700 -0.091 0.000 2.671 537 S HA 0.983 5.453 4.470 -0.000 0.000 0.277 537 S C 0.124 174.684 174.600 -0.067 0.000 1.165 537 S CA 0.032 58.179 58.200 -0.088 0.000 0.822 537 S CB 1.642 64.771 63.200 -0.118 0.000 1.150 537 S HN 2.197 nan 8.310 nan 0.000 0.479 538 G N 1.138 109.893 108.800 -0.075 0.000 2.539 538 G HA2 0.115 4.075 3.960 -0.000 0.000 0.256 538 G HA3 0.115 4.075 3.960 -0.000 0.000 0.256 538 G C 1.070 175.947 174.900 -0.037 0.000 1.233 538 G CA 0.818 45.882 45.100 -0.060 0.000 0.936 538 G HN 2.006 nan 8.290 nan 0.000 0.571 539 A N -1.175 121.624 122.820 -0.034 0.000 1.971 539 A HA -0.140 4.180 4.320 -0.000 0.000 0.222 539 A C 2.006 179.579 177.584 -0.018 0.000 1.182 539 A CA 2.906 54.929 52.037 -0.024 0.000 0.649 539 A CB -0.661 18.324 19.000 -0.025 0.000 0.818 539 A HN 0.756 nan 8.150 nan 0.000 0.458 540 D N -0.500 119.886 120.400 -0.024 0.000 2.264 540 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 540 D C 0.617 176.915 176.300 -0.003 0.000 0.966 540 D CA 0.544 54.529 54.000 -0.024 0.000 0.864 540 D CB -0.233 40.541 40.800 -0.042 0.000 0.933 540 D HN 0.493 nan 8.370 nan 0.000 0.499 541 I N 1.832 122.410 120.570 0.014 0.000 2.311 541 I HA -0.038 4.132 4.170 -0.000 0.000 0.297 541 I C 1.732 177.877 176.117 0.047 0.000 1.131 541 I CA 0.019 61.351 61.300 0.053 0.000 1.289 541 I CB 0.912 38.975 38.000 0.106 0.000 1.446 541 I HN -0.066 nan 8.210 nan 0.000 0.524 542 T N 1.095 115.667 114.554 0.030 0.000 3.035 542 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 542 T C 0.623 175.347 174.700 0.041 0.000 1.109 542 T CA 0.563 62.677 62.100 0.023 0.000 1.119 542 T CB 0.008 68.878 68.868 0.004 0.000 0.900 542 T HN 0.605 nan 8.240 nan 0.000 0.503 543 S N -1.039 114.701 115.700 0.068 0.000 2.543 543 S HA 0.510 4.980 4.470 -0.000 0.000 0.274 543 S C -2.107 172.587 174.600 0.156 0.000 1.149 543 S CA -1.072 57.184 58.200 0.094 0.000 0.866 543 S CB 1.302 64.532 63.200 0.051 0.000 1.111 543 S HN 0.441 nan 8.310 nan 0.000 0.457 544 W N 2.579 123.868 121.300 -0.020 0.000 3.132 544 W HA 0.541 5.201 4.660 -0.000 0.000 0.337 544 W C -1.441 175.096 176.519 0.031 0.000 1.082 544 W CA -0.387 56.954 57.345 -0.008 0.000 1.242 544 W CB 1.622 31.064 29.460 -0.030 0.000 1.354 544 W HN 1.038 nan 8.180 nan 0.000 0.461 545 E N 1.955 122.230 120.200 0.124 0.000 2.445 545 E HA 0.095 4.445 4.350 -0.000 0.000 0.273 545 E C -0.022 176.660 176.600 0.138 0.000 0.961 545 E CA -0.682 55.824 56.400 0.176 0.000 0.807 545 E CB 1.998 31.746 29.700 0.080 0.000 1.362 545 E HN 0.250 nan 8.360 nan 0.000 0.453 546 D N 0.082 120.568 120.400 0.144 0.000 2.133 546 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 546 D C 1.697 177.937 176.300 -0.100 0.000 0.997 546 D CA 2.370 56.421 54.000 0.086 0.000 0.840 546 D CB 0.152 40.976 40.800 0.040 0.000 0.947 546 D HN 0.513 nan 8.370 nan 0.000 0.452 547 T N -3.635 110.871 114.554 -0.080 0.000 3.022 547 T HA 0.133 4.483 4.350 -0.000 0.000 0.250 547 T C 0.619 175.314 174.700 -0.009 0.000 1.060 547 T CA -0.382 61.614 62.100 -0.174 0.000 1.013 547 T CB 0.421 69.226 68.868 -0.104 0.000 0.982 547 T HN 0.149 nan 8.240 nan 0.000 0.508 548 Q N -0.015 119.842 119.800 0.095 0.000 2.340 548 Q HA 0.667 5.007 4.340 -0.000 0.000 0.276 548 Q C -2.157 173.785 176.000 -0.096 0.000 1.048 548 Q CA -0.940 54.896 55.803 0.054 0.000 0.832 548 Q CB 2.054 30.784 28.738 -0.014 0.000 1.373 548 Q HN 0.445 nan 8.270 nan 0.000 0.409 549 I N 2.517 122.946 120.570 -0.234 0.000 2.582 549 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 549 I C -0.920 175.081 176.117 -0.193 0.000 1.066 549 I CA -0.796 60.285 61.300 -0.366 0.000 1.053 549 I CB 2.272 39.817 38.000 -0.758 0.000 1.241 549 I HN 0.412 nan 8.210 nan 0.000 0.421 550 K N 5.027 125.370 120.400 -0.096 0.000 2.358 550 K HA 0.731 5.051 4.320 -0.000 0.000 0.260 550 K C -1.437 175.148 176.600 -0.025 0.000 0.956 550 K CA -0.619 55.636 56.287 -0.053 0.000 0.834 550 K CB 2.868 35.352 32.500 -0.027 0.000 1.102 550 K HN 0.321 nan 8.250 nan 0.000 0.431 551 V N 2.814 122.715 119.914 -0.022 0.000 3.007 551 V HA 0.377 4.497 4.120 -0.000 0.000 0.311 551 V C -1.500 174.601 176.094 0.012 0.000 1.120 551 V CA -0.922 61.385 62.300 0.012 0.000 0.980 551 V CB 2.181 34.027 31.823 0.038 0.000 1.033 551 V HN 0.644 nan 8.190 nan 0.000 0.429 552 K N 5.505 125.896 120.400 -0.015 0.000 2.201 552 K HA 0.537 4.857 4.320 -0.000 0.000 0.278 552 K C -0.548 175.949 176.600 -0.171 0.000 1.027 552 K CA -0.411 55.838 56.287 -0.064 0.000 0.909 552 K CB 1.555 34.013 32.500 -0.069 0.000 1.062 552 K HN 0.575 nan 8.250 nan 0.000 0.465 553 I N 5.741 126.170 120.570 -0.235 0.000 2.668 553 I HA -0.012 4.158 4.170 -0.000 0.000 0.285 553 I C -1.731 174.094 176.117 -0.487 0.000 1.168 553 I CA -1.617 59.350 61.300 -0.555 0.000 1.424 553 I CB 0.028 37.829 38.000 -0.332 0.000 1.377 553 I HN 0.334 nan 8.210 nan 0.000 0.560 554 P HA 0.044 nan 4.420 nan 0.000 0.272 554 P C -0.604 176.513 177.300 -0.305 0.000 1.240 554 P CA -0.518 62.352 63.100 -0.384 0.000 0.791 554 P CB 0.621 32.109 31.700 -0.353 0.000 0.978 555 A N 1.943 124.652 122.820 -0.183 0.000 2.981 555 A HA 0.392 4.712 4.320 -0.000 0.000 0.280 555 A C 0.649 178.171 177.584 -0.102 0.000 1.743 555 A CA -0.306 51.656 52.037 -0.125 0.000 1.430 555 A CB -1.488 17.465 19.000 -0.079 0.000 1.085 555 A HN 0.398 nan 8.150 nan 0.000 0.597 556 V N -1.420 118.414 119.914 -0.134 0.000 3.302 556 V HA 0.904 5.024 4.120 -0.000 0.000 0.316 556 V C 0.689 176.798 176.094 0.025 0.000 1.111 556 V CA -0.770 61.494 62.300 -0.060 0.000 1.029 556 V CB 0.831 32.576 31.823 -0.130 0.000 1.170 556 V HN 0.908 nan 8.190 nan 0.000 0.452 557 A N 0.506 123.402 122.820 0.125 0.000 2.386 557 A HA 0.624 4.944 4.320 -0.000 0.000 0.248 557 A C 0.894 178.608 177.584 0.217 0.000 1.082 557 A CA 0.233 52.357 52.037 0.144 0.000 0.789 557 A CB -0.402 18.685 19.000 0.145 0.000 1.025 557 A HN 1.992 nan 8.150 nan 0.000 0.490 558 G N -0.333 108.553 108.800 0.144 0.000 2.353 558 G HA2 0.555 4.515 3.960 -0.000 0.000 0.239 558 G HA3 0.555 4.515 3.960 -0.000 0.000 0.239 558 G C 0.419 175.430 174.900 0.184 0.000 1.295 558 G CA 0.641 45.831 45.100 0.150 0.000 0.884 558 G HN 1.864 nan 8.290 nan 0.000 0.537 559 G N 0.860 109.799 108.800 0.232 0.000 2.327 559 G HA2 0.293 4.253 3.960 -0.000 0.000 0.291 559 G HA3 0.293 4.253 3.960 -0.000 0.000 0.291 559 G C -1.374 173.588 174.900 0.104 0.000 1.290 559 G CA -0.938 44.211 45.100 0.080 0.000 0.857 559 G HN 0.801 nan 8.290 nan 0.000 0.520 560 N N -0.756 117.867 118.700 -0.129 0.000 2.430 560 N HA 0.754 5.493 4.740 -0.000 0.000 0.292 560 N C -1.443 173.976 175.510 -0.151 0.000 1.051 560 N CA -0.200 52.840 53.050 -0.016 0.000 0.917 560 N CB 0.931 39.399 38.487 -0.032 0.000 1.164 560 N HN 0.450 nan 8.380 nan 0.000 0.484 561 Y N 0.450 120.893 120.300 0.238 0.000 2.581 561 Y HA 0.452 5.002 4.550 -0.000 0.000 0.345 561 Y C -0.306 175.725 175.900 0.219 0.000 1.036 561 Y CA -1.088 57.159 58.100 0.245 0.000 1.042 561 Y CB 1.499 40.167 38.460 0.348 0.000 1.289 561 Y HN 0.419 nan 8.280 nan 0.000 0.471 562 N N 1.494 120.385 118.700 0.318 0.000 2.430 562 N HA 0.526 5.266 4.740 -0.000 0.000 0.292 562 N C -1.158 174.422 175.510 0.117 0.000 1.051 562 N CA -0.348 52.816 53.050 0.189 0.000 0.917 562 N CB 1.322 39.877 38.487 0.113 0.000 1.164 562 N HN 0.507 nan 8.380 nan 0.000 0.484 563 I N 0.981 121.579 120.570 0.047 0.000 2.493 563 I HA 0.415 4.585 4.170 -0.000 0.000 0.298 563 I C 0.199 176.282 176.117 -0.057 0.000 0.998 563 I CA -0.619 60.595 61.300 -0.144 0.000 1.137 563 I CB 1.606 39.407 38.000 -0.332 0.000 1.310 563 I HN 0.330 nan 8.210 nan 0.000 0.445 564 K N 5.567 125.918 120.400 -0.081 0.000 2.551 564 K HA 0.735 5.055 4.320 -0.000 0.000 0.269 564 K C -1.847 174.778 176.600 0.043 0.000 0.949 564 K CA -0.666 55.615 56.287 -0.011 0.000 0.849 564 K CB 2.723 35.217 32.500 -0.010 0.000 1.411 564 K HN 0.446 nan 8.250 nan 0.000 0.432 565 V N -1.029 118.908 119.914 0.038 0.000 3.001 565 V HA 0.993 5.113 4.120 -0.000 0.000 0.314 565 V C -1.257 174.951 176.094 0.191 0.000 1.099 565 V CA -0.521 61.827 62.300 0.081 0.000 0.989 565 V CB 1.555 33.259 31.823 -0.198 0.000 1.040 565 V HN 0.974 nan 8.190 nan 0.000 0.434 566 A N 2.681 125.680 122.820 0.299 0.000 2.393 566 A HA 0.823 5.142 4.320 -0.000 0.000 0.306 566 A C -0.320 177.447 177.584 0.304 0.000 1.050 566 A CA -0.674 51.526 52.037 0.272 0.000 0.724 566 A CB 1.227 20.397 19.000 0.283 0.000 1.248 566 A HN 1.358 nan 8.150 nan 0.000 0.424 567 N N 1.420 120.274 118.700 0.257 0.000 2.327 567 N HA 0.397 5.137 4.740 -0.000 0.000 0.257 567 N C 1.126 176.654 175.510 0.030 0.000 1.281 567 N CA 0.078 53.274 53.050 0.244 0.000 0.942 567 N CB 0.335 38.980 38.487 0.263 0.000 1.199 567 N HN 0.661 nan 8.380 nan 0.000 0.532 568 A N -0.852 121.923 122.820 -0.075 0.000 2.076 568 A HA 0.001 4.321 4.320 -0.000 0.000 0.220 568 A C 1.916 179.470 177.584 -0.049 0.000 1.160 568 A CA 1.931 53.889 52.037 -0.132 0.000 0.653 568 A CB -1.284 17.612 19.000 -0.174 0.000 0.801 568 A HN 0.873 nan 8.150 nan 0.000 0.455 569 A N -2.246 120.574 122.820 0.001 0.000 2.251 569 A HA 0.434 4.754 4.320 -0.000 0.000 0.209 569 A C 1.753 179.352 177.584 0.024 0.000 1.187 569 A CA 1.123 53.166 52.037 0.010 0.000 0.823 569 A CB -0.676 18.337 19.000 0.022 0.000 0.846 569 A HN 1.825 nan 8.150 nan 0.000 0.486 570 G N -1.487 107.337 108.800 0.040 0.000 2.175 570 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 570 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 570 G C 0.374 175.312 174.900 0.064 0.000 0.982 570 G CA 0.318 45.452 45.100 0.057 0.000 0.641 570 G HN 0.553 nan 8.290 nan 0.000 0.527 571 T N 1.785 116.382 114.554 0.071 0.000 2.814 571 T HA 0.591 4.941 4.350 -0.000 0.000 0.297 571 T C 0.785 175.537 174.700 0.087 0.000 0.956 571 T CA 0.689 62.829 62.100 0.067 0.000 1.123 571 T CB 1.374 70.280 68.868 0.064 0.000 0.902 571 T HN 1.222 nan 8.240 nan 0.000 0.528 572 A N 3.494 126.346 122.820 0.053 0.000 2.271 572 A HA 0.717 5.037 4.320 -0.000 0.000 0.288 572 A C 0.754 178.369 177.584 0.053 0.000 1.094 572 A CA -0.707 51.359 52.037 0.048 0.000 0.828 572 A CB 0.480 19.465 19.000 -0.025 0.000 1.091 572 A HN 0.861 nan 8.150 nan 0.000 0.493 573 S N 0.899 116.636 115.700 0.062 0.000 2.745 573 S HA 0.451 4.921 4.470 -0.000 0.000 0.292 573 S C 0.117 174.738 174.600 0.036 0.000 1.127 573 S CA -0.635 57.606 58.200 0.068 0.000 1.007 573 S CB 0.421 63.690 63.200 0.114 0.000 1.165 573 S HN 0.930 nan 8.310 nan 0.000 0.544 574 N N -0.019 118.706 118.700 0.041 0.000 2.399 574 N HA 0.194 4.934 4.740 -0.000 0.000 0.250 574 N C -0.375 175.171 175.510 0.059 0.000 1.272 574 N CA -0.460 52.611 53.050 0.036 0.000 0.928 574 N CB 0.065 38.573 38.487 0.035 0.000 1.158 574 N HN 0.445 nan 8.380 nan 0.000 0.463 575 V N 0.335 120.279 119.914 0.050 0.000 2.743 575 V HA 0.170 4.290 4.120 -0.000 0.000 0.301 575 V C -0.845 175.321 176.094 0.120 0.000 1.057 575 V CA -0.524 61.816 62.300 0.065 0.000 1.006 575 V CB 0.381 32.224 31.823 0.033 0.000 1.024 575 V HN 0.693 nan 8.190 nan 0.000 0.473 576 Y N 4.067 124.365 120.300 -0.003 0.000 2.363 576 Y HA 0.385 4.935 4.550 -0.000 0.000 0.325 576 Y C 0.040 175.962 175.900 0.036 0.000 0.984 576 Y CA -1.240 56.867 58.100 0.010 0.000 1.248 576 Y CB 0.777 39.228 38.460 -0.014 0.000 1.116 576 Y HN 0.857 nan 8.280 nan 0.000 0.470 577 D N 2.159 122.546 120.400 -0.022 0.000 2.466 577 D HA 0.176 4.816 4.640 -0.000 0.000 0.262 577 D C 0.040 176.391 176.300 0.085 0.000 1.177 577 D CA -0.469 53.560 54.000 0.049 0.000 1.035 577 D CB 0.918 41.705 40.800 -0.022 0.000 1.105 577 D HN 0.577 nan 8.370 nan 0.000 0.551 578 N N -2.340 116.428 118.700 0.113 0.000 2.818 578 N HA -0.221 4.519 4.740 -0.000 0.000 0.250 578 N C -1.309 174.299 175.510 0.162 0.000 1.108 578 N CA 0.143 53.252 53.050 0.098 0.000 0.745 578 N CB -1.970 36.532 38.487 0.025 0.000 1.104 578 N HN 0.431 nan 8.380 nan 0.000 0.557 579 F N 1.702 121.751 119.950 0.164 0.000 2.427 579 F HA 0.372 4.899 4.527 -0.000 0.000 0.352 579 F C 0.728 176.665 175.800 0.229 0.000 1.100 579 F CA -0.320 57.802 58.000 0.204 0.000 1.191 579 F CB 0.728 39.874 39.000 0.244 0.000 1.128 579 F HN 0.141 nan 8.300 nan 0.000 0.533 580 E N 5.108 124.910 120.200 -0.662 0.000 2.151 580 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 580 E C -1.645 174.793 176.600 -0.270 0.000 0.936 580 E CA -0.772 55.464 56.400 -0.274 0.000 0.777 580 E CB 1.409 30.978 29.700 -0.217 0.000 1.108 580 E HN 0.489 nan 8.360 nan 0.000 0.401 581 V N 6.539 126.535 119.914 0.137 0.000 2.350 581 V HA 0.221 4.341 4.120 -0.000 0.000 0.276 581 V C 0.346 176.492 176.094 0.086 0.000 1.028 581 V CA -0.577 61.822 62.300 0.165 0.000 0.860 581 V CB 0.853 32.806 31.823 0.217 0.000 0.990 581 V HN 0.724 nan 8.190 nan 0.000 0.453 582 L N 3.352 124.590 121.223 0.025 0.000 2.452 582 L HA 0.199 4.539 4.340 -0.000 0.000 0.267 582 L C 1.548 178.432 176.870 0.023 0.000 1.188 582 L CA 0.100 54.946 54.840 0.010 0.000 0.821 582 L CB 0.756 42.808 42.059 -0.012 0.000 1.102 582 L HN 0.604 nan 8.230 nan 0.000 0.470 583 S N 0.275 115.986 115.700 0.018 0.000 2.561 583 S HA 0.210 4.680 4.470 -0.000 0.000 0.225 583 S C 0.478 175.082 174.600 0.007 0.000 0.977 583 S CA 0.603 58.814 58.200 0.018 0.000 0.926 583 S CB 0.046 63.254 63.200 0.014 0.000 0.769 583 S HN 0.942 nan 8.310 nan 0.000 0.533 584 G N 0.325 109.126 108.800 0.002 0.000 2.352 584 G HA2 0.107 4.067 3.960 -0.000 0.000 0.283 584 G HA3 0.107 4.067 3.960 -0.000 0.000 0.283 584 G C -2.190 172.706 174.900 -0.005 0.000 1.308 584 G CA -0.963 44.135 45.100 -0.003 0.000 0.892 584 G HN 0.069 nan 8.290 nan 0.000 0.504 585 D N 0.849 121.245 120.400 -0.006 0.000 2.400 585 D HA 0.355 4.995 4.640 -0.000 0.000 0.238 585 D C 0.122 176.419 176.300 -0.005 0.000 1.157 585 D CA 0.513 54.507 54.000 -0.009 0.000 0.889 585 D CB 0.776 41.572 40.800 -0.008 0.000 1.199 585 D HN 0.290 nan 8.370 nan 0.000 0.436 586 Q N 0.223 120.016 119.800 -0.012 0.000 2.348 586 Q HA 0.572 4.912 4.340 -0.000 0.000 0.271 586 Q C -0.304 175.706 176.000 0.016 0.000 1.067 586 Q CA -0.990 54.814 55.803 0.001 0.000 0.839 586 Q CB 2.314 31.042 28.738 -0.017 0.000 1.354 586 Q HN 0.331 nan 8.270 nan 0.000 0.447 587 V N -2.225 117.720 119.914 0.053 0.000 3.001 587 V HA 0.737 4.857 4.120 -0.000 0.000 0.314 587 V C -0.366 175.803 176.094 0.126 0.000 1.099 587 V CA -0.939 61.413 62.300 0.087 0.000 0.989 587 V CB 2.008 33.891 31.823 0.100 0.000 1.040 587 V HN 0.676 nan 8.190 nan 0.000 0.434 588 S N 1.422 117.225 115.700 0.171 0.000 2.429 588 S HA 0.768 5.238 4.470 -0.000 0.000 0.302 588 S C -0.743 173.990 174.600 0.222 0.000 1.115 588 S CA -0.367 57.972 58.200 0.231 0.000 1.095 588 S CB 0.801 64.218 63.200 0.360 0.000 0.987 588 S HN 0.863 nan 8.310 nan 0.000 0.474 589 V N 5.931 125.972 119.914 0.211 0.000 2.588 589 V HA 0.522 4.642 4.120 -0.000 0.000 0.304 589 V C 0.016 176.176 176.094 0.110 0.000 1.042 589 V CA -1.000 61.358 62.300 0.096 0.000 0.877 589 V CB 1.872 33.700 31.823 0.009 0.000 0.996 589 V HN 0.866 nan 8.190 nan 0.000 0.425 590 R N 3.534 124.043 120.500 0.015 0.000 2.221 590 R HA 0.501 4.841 4.340 -0.000 0.000 0.327 590 R C -1.518 174.740 176.300 -0.070 0.000 1.033 590 R CA -0.235 55.920 56.100 0.093 0.000 0.887 590 R CB 0.456 30.822 30.300 0.109 0.000 1.057 590 R HN 0.478 nan 8.270 nan 0.000 0.455 591 F N 4.039 123.997 119.950 0.014 0.000 2.420 591 F HA 0.394 4.921 4.527 -0.000 0.000 0.342 591 F C -0.226 175.600 175.800 0.044 0.000 1.113 591 F CA -0.661 57.335 58.000 -0.007 0.000 1.059 591 F CB 1.951 40.975 39.000 0.040 0.000 1.128 591 F HN 0.113 nan 8.300 nan 0.000 0.475 592 V N 4.105 124.070 119.914 0.086 0.000 2.577 592 V HA 0.543 4.663 4.120 -0.000 0.000 0.303 592 V C -0.928 175.085 176.094 -0.134 0.000 1.042 592 V CA -0.900 61.335 62.300 -0.108 0.000 0.872 592 V CB 1.863 33.429 31.823 -0.428 0.000 0.998 592 V HN 0.543 nan 8.190 nan 0.000 0.423 593 V N 5.283 125.053 119.914 -0.240 0.000 2.540 593 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 593 V C -0.481 175.539 176.094 -0.123 0.000 1.035 593 V CA -0.439 61.646 62.300 -0.358 0.000 0.873 593 V CB 1.940 33.177 31.823 -0.977 0.000 0.992 593 V HN 0.960 nan 8.190 nan 0.000 0.428 594 N N 5.489 124.158 118.700 -0.052 0.000 2.487 594 N HA 0.369 5.109 4.740 -0.000 0.000 0.292 594 N C -0.509 175.025 175.510 0.040 0.000 1.108 594 N CA -0.348 52.708 53.050 0.009 0.000 0.956 594 N CB 0.982 39.482 38.487 0.022 0.000 1.176 594 N HN 0.801 nan 8.380 nan 0.000 0.484 595 N N -0.579 118.121 118.700 -0.000 0.000 2.696 595 N HA -0.189 4.551 4.740 -0.000 0.000 0.256 595 N C -0.988 174.450 175.510 -0.119 0.000 1.031 595 N CA 0.386 53.409 53.050 -0.046 0.000 0.730 595 N CB -1.395 37.092 38.487 -0.000 0.000 0.894 595 N HN 0.647 nan 8.380 nan 0.000 0.544 596 A N 0.416 123.121 122.820 -0.192 0.000 2.654 596 A HA 0.486 4.805 4.320 -0.000 0.000 0.345 596 A C 0.822 178.196 177.584 -0.350 0.000 1.368 596 A CA -0.202 51.531 52.037 -0.506 0.000 0.895 596 A CB 0.282 18.924 19.000 -0.598 0.000 1.143 596 A HN 0.386 nan 8.150 nan 0.000 0.490 597 T N 0.332 114.688 114.554 -0.331 0.000 2.897 597 T HA 0.603 4.953 4.350 -0.000 0.000 0.294 597 T C 0.410 175.129 174.700 0.032 0.000 1.004 597 T CA 0.290 62.344 62.100 -0.077 0.000 1.106 597 T CB 0.945 69.810 68.868 -0.004 0.000 0.949 597 T HN 0.841 nan 8.240 nan 0.000 0.520 598 T N -0.374 114.393 114.554 0.355 0.000 2.858 598 T HA 0.819 5.169 4.350 -0.000 0.000 0.285 598 T C -0.094 174.699 174.700 0.155 0.000 1.052 598 T CA -0.866 61.339 62.100 0.175 0.000 1.009 598 T CB 1.327 70.325 68.868 0.217 0.000 1.241 598 T HN 1.073 nan 8.240 nan 0.000 0.542 599 A N 0.481 123.351 122.820 0.083 0.000 2.281 599 A HA 0.752 5.071 4.320 -0.000 0.000 0.329 599 A C 0.050 177.667 177.584 0.055 0.000 1.122 599 A CA -1.038 51.033 52.037 0.057 0.000 0.850 599 A CB 0.154 19.177 19.000 0.039 0.000 1.207 599 A HN 0.903 nan 8.150 nan 0.000 0.495 600 L N 0.812 122.054 121.223 0.031 0.000 2.525 600 L HA 0.324 4.664 4.340 -0.000 0.000 0.278 600 L C 1.532 178.428 176.870 0.045 0.000 1.218 600 L CA 1.487 56.344 54.840 0.027 0.000 0.878 600 L CB 0.139 42.204 42.059 0.011 0.000 1.127 600 L HN 1.267 nan 8.230 nan 0.000 0.492 601 G N 2.007 110.843 108.800 0.059 0.000 2.153 601 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.252 601 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.252 601 G C -0.006 174.943 174.900 0.082 0.000 0.994 601 G CA 0.289 45.430 45.100 0.068 0.000 0.698 601 G HN 0.641 nan 8.290 nan 0.000 0.521 602 Q N -0.091 119.766 119.800 0.094 0.000 2.340 602 Q HA 0.585 4.924 4.340 -0.000 0.000 0.268 602 Q C -0.803 175.259 176.000 0.103 0.000 1.031 602 Q CA -0.888 54.965 55.803 0.084 0.000 0.804 602 Q CB 0.890 29.657 28.738 0.050 0.000 1.286 602 Q HN 0.265 nan 8.270 nan 0.000 0.448 603 N N 1.576 120.322 118.700 0.077 0.000 2.312 603 N HA 0.438 5.178 4.740 -0.000 0.000 0.296 603 N C -1.215 174.109 175.510 -0.310 0.000 1.193 603 N CA -0.398 52.597 53.050 -0.092 0.000 0.773 603 N CB 2.242 40.719 38.487 -0.015 0.000 1.435 603 N HN 0.299 nan 8.380 nan 0.000 0.484 604 V N 1.741 121.114 119.914 -0.902 0.000 2.686 604 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 604 V C -0.791 175.016 176.094 -0.479 0.000 1.057 604 V CA -0.046 61.857 62.300 -0.662 0.000 1.012 604 V CB 0.303 31.426 31.823 -1.167 0.000 1.006 604 V HN 0.530 nan 8.190 nan 0.000 0.477 605 Y N 2.662 122.883 120.300 -0.133 0.000 2.638 605 Y HA 0.747 5.297 4.550 -0.000 0.000 0.339 605 Y C -0.487 175.392 175.900 -0.035 0.000 1.084 605 Y CA -1.086 56.942 58.100 -0.120 0.000 1.068 605 Y CB 1.843 40.203 38.460 -0.165 0.000 1.294 605 Y HN 0.512 nan 8.280 nan 0.000 0.480 606 L N 0.601 121.823 121.223 -0.002 0.000 2.365 606 L HA 0.871 5.211 4.340 -0.000 0.000 0.273 606 L C -0.618 176.091 176.870 -0.269 0.000 1.000 606 L CA 0.028 54.707 54.840 -0.268 0.000 0.819 606 L CB 2.137 43.942 42.059 -0.423 0.000 1.284 606 L HN 0.694 nan 8.230 nan 0.000 0.418 607 T N 2.357 116.733 114.554 -0.297 0.000 2.841 607 T HA 0.954 5.304 4.350 -0.000 0.000 0.296 607 T C -0.723 173.731 174.700 -0.410 0.000 1.166 607 T CA -0.031 61.916 62.100 -0.255 0.000 1.007 607 T CB 1.574 70.382 68.868 -0.100 0.000 1.253 607 T HN 1.150 nan 8.240 nan 0.000 0.511 608 G N 0.189 108.551 108.800 -0.730 0.000 2.342 608 G HA2 0.380 4.340 3.960 -0.000 0.000 0.297 608 G HA3 0.380 4.340 3.960 -0.000 0.000 0.297 608 G C 0.726 174.837 174.900 -1.316 0.000 1.313 608 G CA 0.397 44.788 45.100 -1.183 0.000 0.830 608 G HN 1.116 nan 8.290 nan 0.000 0.506 609 S N -1.664 113.506 115.700 -0.882 0.000 2.500 609 S HA 0.107 4.577 4.470 -0.000 0.000 0.239 609 S C 1.109 175.603 174.600 -0.177 0.000 0.989 609 S CA 1.517 59.505 58.200 -0.354 0.000 0.951 609 S CB -0.921 62.337 63.200 0.097 0.000 0.759 609 S HN 1.846 nan 8.310 nan 0.000 0.523 610 V N -1.159 118.642 119.914 -0.188 0.000 3.019 610 V HA 0.679 4.799 4.120 -0.000 0.000 0.317 610 V C 1.364 177.400 176.094 -0.097 0.000 1.094 610 V CA -0.429 61.818 62.300 -0.089 0.000 1.000 610 V CB 1.133 32.929 31.823 -0.045 0.000 1.060 610 V HN 0.236 nan 8.190 nan 0.000 0.443 611 S N 0.114 115.789 115.700 -0.041 0.000 2.370 611 S HA -0.222 4.248 4.470 -0.000 0.000 0.226 611 S C 1.400 175.973 174.600 -0.045 0.000 1.033 611 S CA 1.716 59.897 58.200 -0.031 0.000 1.011 611 S CB -0.747 62.459 63.200 0.009 0.000 0.852 611 S HN 0.888 nan 8.310 nan 0.000 0.457 612 E N 0.761 120.939 120.200 -0.037 0.000 2.273 612 E HA 0.002 4.352 4.350 -0.000 0.000 0.198 612 E C 1.028 177.586 176.600 -0.069 0.000 1.002 612 E CA 0.677 57.056 56.400 -0.034 0.000 0.828 612 E CB -0.214 29.481 29.700 -0.009 0.000 0.747 612 E HN 0.366 nan 8.360 nan 0.000 0.491 613 L N -1.546 119.605 121.223 -0.120 0.000 2.808 613 L HA 0.352 4.692 4.340 -0.000 0.000 0.246 613 L C 1.275 178.032 176.870 -0.189 0.000 1.153 613 L CA 0.746 55.472 54.840 -0.191 0.000 0.956 613 L CB 0.465 42.358 42.059 -0.276 0.000 1.270 613 L HN 0.187 nan 8.230 nan 0.000 0.528 614 G N -0.251 108.472 108.800 -0.129 0.000 2.175 614 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.244 614 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.244 614 G C 0.660 175.513 174.900 -0.079 0.000 0.982 614 G CA 0.121 45.168 45.100 -0.089 0.000 0.641 614 G HN 0.241 nan 8.290 nan 0.000 0.527 615 N N -1.110 117.492 118.700 -0.163 0.000 2.725 615 N HA -0.234 4.506 4.740 -0.000 0.000 0.251 615 N C 0.938 176.468 175.510 0.033 0.000 1.031 615 N CA 1.954 54.922 53.050 -0.138 0.000 0.720 615 N CB -1.627 36.863 38.487 0.004 0.000 0.930 615 N HN 1.322 nan 8.380 nan 0.000 0.543 616 W N -3.141 118.220 121.300 0.101 0.000 2.062 616 W HA -0.258 4.402 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 0.414 57.871 57.345 0.187 0.000 0.471 616 W CB -1.405 28.142 29.460 0.146 0.000 2.039 616 W HN 0.271 nan 8.180 nan 0.000 1.321 617 D N 0.786 121.334 120.400 0.246 0.000 2.339 617 D HA 0.185 4.825 4.640 -0.000 0.000 0.241 617 D C -0.928 175.420 176.300 0.080 0.000 1.183 617 D CA -2.014 52.085 54.000 0.165 0.000 0.859 617 D CB 1.247 42.100 40.800 0.088 0.000 1.067 617 D HN -0.191 nan 8.370 nan 0.000 0.484 618 P HA -0.082 nan 4.420 nan 0.000 0.218 618 P C 0.905 178.129 177.300 -0.128 0.000 1.149 618 P CA 0.985 64.032 63.100 -0.087 0.000 0.817 618 P CB 0.140 31.779 31.700 -0.103 0.000 0.785 619 A N -0.445 122.339 122.820 -0.061 0.000 2.172 619 A HA -0.116 4.203 4.320 -0.000 0.000 0.216 619 A C 1.736 179.279 177.584 -0.068 0.000 1.154 619 A CA 1.305 53.298 52.037 -0.073 0.000 0.701 619 A CB -0.801 18.180 19.000 -0.032 0.000 0.789 619 A HN 0.199 nan 8.150 nan 0.000 0.465 620 K N -0.479 119.888 120.400 -0.055 0.000 2.478 620 K HA 0.406 4.726 4.320 -0.000 0.000 0.205 620 K C 0.299 176.865 176.600 -0.056 0.000 1.033 620 K CA 0.132 56.393 56.287 -0.043 0.000 1.091 620 K CB 0.735 33.219 32.500 -0.028 0.000 0.844 620 K HN 0.371 nan 8.250 nan 0.000 0.507 621 A N 1.311 124.076 122.820 -0.090 0.000 2.466 621 A HA 0.200 4.520 4.320 -0.000 0.000 0.238 621 A C 0.143 177.738 177.584 0.017 0.000 1.074 621 A CA -0.168 51.822 52.037 -0.077 0.000 0.774 621 A CB 0.131 19.053 19.000 -0.131 0.000 1.015 621 A HN 0.113 nan 8.150 nan 0.000 0.498 622 I N 1.516 122.075 120.570 -0.018 0.000 2.416 622 I HA 0.564 4.734 4.170 -0.000 0.000 0.288 622 I C 1.020 177.057 176.117 -0.133 0.000 1.051 622 I CA 1.088 62.356 61.300 -0.053 0.000 1.375 622 I CB -0.308 37.611 38.000 -0.135 0.000 1.407 622 I HN 1.018 nan 8.210 nan 0.000 0.516 623 G N 8.005 116.651 108.800 -0.255 0.000 2.350 623 G HA2 0.182 4.141 3.960 -0.000 0.000 0.282 623 G HA3 0.182 4.141 3.960 -0.000 0.000 0.282 623 G C -3.224 171.459 174.900 -0.362 0.000 1.314 623 G CA -0.835 43.862 45.100 -0.673 0.000 0.915 623 G HN 0.369 nan 8.290 nan 0.000 0.499 624 P HA 0.433 nan 4.420 nan 0.000 0.272 624 P C 0.320 177.235 177.300 -0.642 0.000 1.223 624 P CA -0.139 62.410 63.100 -0.917 0.000 0.784 624 P CB 0.387 31.816 31.700 -0.452 0.000 0.923 625 M N 0.930 120.229 119.600 -0.502 0.000 2.103 625 M HA 0.184 4.664 4.480 -0.000 0.000 0.291 625 M C 0.098 176.507 176.300 0.181 0.000 1.216 625 M CA 0.210 55.341 55.300 -0.281 0.000 1.132 625 M CB 0.008 32.603 32.600 -0.008 0.000 1.396 625 M HN 0.245 nan 8.290 nan 0.000 0.479 626 Y N 1.328 121.610 120.300 -0.031 0.000 2.376 626 Y HA 0.269 4.819 4.550 -0.000 0.000 0.325 626 Y C 0.517 176.237 175.900 -0.299 0.000 1.199 626 Y CA -1.512 56.414 58.100 -0.290 0.000 1.206 626 Y CB 0.614 38.589 38.460 -0.807 0.000 1.229 626 Y HN 0.693 nan 8.280 nan 0.000 0.480 627 N N -1.028 117.630 118.700 -0.070 0.000 2.361 627 N HA 0.099 4.839 4.740 -0.000 0.000 0.253 627 N C -0.230 175.256 175.510 -0.040 0.000 1.413 627 N CA -0.075 52.887 53.050 -0.147 0.000 0.821 627 N CB -0.015 37.953 38.487 -0.866 0.000 1.380 627 N HN 0.580 nan 8.380 nan 0.000 0.493 628 Q N -0.192 119.637 119.800 0.050 0.000 2.530 628 Q HA 0.310 4.650 4.340 -0.000 0.000 0.198 628 Q C 1.360 177.363 176.000 0.005 0.000 0.956 628 Q CA 0.685 56.482 55.803 -0.010 0.000 0.870 628 Q CB 0.443 29.145 28.738 -0.060 0.000 1.050 628 Q HN 0.083 nan 8.270 nan 0.000 0.604 629 V N 0.435 120.368 119.914 0.031 0.000 2.227 629 V HA -0.201 3.919 4.120 -0.000 0.000 0.238 629 V C 2.150 178.106 176.094 -0.231 0.000 1.039 629 V CA 1.669 63.929 62.300 -0.066 0.000 0.990 629 V CB -0.759 31.040 31.823 -0.040 0.000 0.635 629 V HN 0.175 nan 8.190 nan 0.000 0.453 630 V N -1.681 117.953 119.914 -0.466 0.000 2.343 630 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 630 V C 0.714 176.242 176.094 -0.942 0.000 1.051 630 V CA 1.547 63.342 62.300 -0.842 0.000 1.036 630 V CB -0.723 30.441 31.823 -1.099 0.000 0.654 630 V HN 0.517 nan 8.190 nan 0.000 0.451 631 Y N -1.407 118.525 120.300 -0.613 0.000 2.545 631 Y HA 0.692 5.242 4.550 -0.000 0.000 0.348 631 Y C -0.194 175.665 175.900 -0.069 0.000 1.002 631 Y CA -1.413 56.534 58.100 -0.254 0.000 1.039 631 Y CB 1.565 39.930 38.460 -0.159 0.000 1.271 631 Y HN 0.005 nan 8.280 nan 0.000 0.467 632 Q N 0.799 120.639 119.800 0.067 0.000 2.309 632 Q HA 0.320 4.660 4.340 -0.000 0.000 0.264 632 Q C -1.264 174.731 176.000 -0.008 0.000 1.008 632 Q CA -0.965 54.848 55.803 0.017 0.000 0.853 632 Q CB 1.538 30.270 28.738 -0.009 0.000 1.314 632 Q HN 0.589 nan 8.270 nan 0.000 0.448 633 Y N 4.098 124.258 120.300 -0.233 0.000 2.788 633 Y HA 0.016 4.566 4.550 -0.000 0.000 0.341 633 Y C -1.403 174.433 175.900 -0.107 0.000 1.258 633 Y CA -0.888 57.022 58.100 -0.316 0.000 1.503 633 Y CB 0.658 38.902 38.460 -0.360 0.000 1.325 633 Y HN 0.560 nan 8.280 nan 0.000 0.614 634 P HA 0.075 nan 4.420 nan 0.000 0.249 634 P C -1.220 175.908 177.300 -0.286 0.000 1.593 634 P CA 0.239 62.671 63.100 -1.113 0.000 0.896 634 P CB -0.156 31.073 31.700 -0.786 0.000 1.581 635 N N 0.546 119.144 118.700 -0.170 0.000 2.421 635 N HA 0.269 5.009 4.740 -0.000 0.000 0.285 635 N C -0.866 174.682 175.510 0.064 0.000 1.027 635 N CA -0.046 53.028 53.050 0.040 0.000 0.918 635 N CB 0.788 39.327 38.487 0.087 0.000 1.152 635 N HN 0.041 nan 8.380 nan 0.000 0.485 636 W N 1.976 123.260 121.300 -0.026 0.000 2.844 636 W HA 0.445 5.105 4.660 -0.000 0.000 0.340 636 W C -0.283 176.297 176.519 0.103 0.000 1.093 636 W CA -0.697 56.683 57.345 0.059 0.000 1.212 636 W CB 0.649 30.078 29.460 -0.052 0.000 1.422 636 W HN 0.420 nan 8.180 nan 0.000 0.515 637 Y N -0.142 120.296 120.300 0.230 0.000 2.638 637 Y HA 0.841 5.391 4.550 -0.000 0.000 0.339 637 Y C -1.930 174.168 175.900 0.330 0.000 1.084 637 Y CA -2.768 55.427 58.100 0.158 0.000 1.068 637 Y CB 1.700 40.167 38.460 0.013 0.000 1.294 637 Y HN 0.446 nan 8.280 nan 0.000 0.480 638 Y N 0.496 120.866 120.300 0.118 0.000 2.393 638 Y HA 0.273 4.823 4.550 -0.000 0.000 0.320 638 Y C -1.909 174.106 175.900 0.193 0.000 1.241 638 Y CA -1.491 56.599 58.100 -0.016 0.000 1.122 638 Y CB 1.470 39.858 38.460 -0.121 0.000 1.322 638 Y HN 0.797 nan 8.280 nan 0.000 0.441 639 D N 4.314 124.605 120.400 -0.182 0.000 2.277 639 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 639 D C -0.767 175.581 176.300 0.079 0.000 1.134 639 D CA 0.220 54.261 54.000 0.068 0.000 0.863 639 D CB 1.831 42.717 40.800 0.142 0.000 1.143 639 D HN 0.206 nan 8.370 nan 0.000 0.458 640 V N 1.142 121.209 119.914 0.256 0.000 2.789 640 V HA 0.292 4.412 4.120 -0.000 0.000 0.311 640 V C 0.155 176.384 176.094 0.225 0.000 1.073 640 V CA -0.936 61.506 62.300 0.238 0.000 0.921 640 V CB 2.229 34.175 31.823 0.205 0.000 1.009 640 V HN 0.483 nan 8.190 nan 0.000 0.426 641 S N 3.055 118.846 115.700 0.152 0.000 2.474 641 S HA 0.625 5.095 4.470 -0.000 0.000 0.276 641 S C -0.485 174.179 174.600 0.108 0.000 1.227 641 S CA -0.388 57.879 58.200 0.111 0.000 1.050 641 S CB 0.370 63.599 63.200 0.050 0.000 0.939 641 S HN 1.052 nan 8.310 nan 0.000 0.490 642 V N 3.044 123.037 119.914 0.132 0.000 3.040 642 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 642 V C -2.882 173.256 176.094 0.073 0.000 1.115 642 V CA -2.963 59.411 62.300 0.123 0.000 0.998 642 V CB 1.636 33.598 31.823 0.232 0.000 1.042 642 V HN 0.631 nan 8.190 nan 0.000 0.433 643 P HA 0.256 nan 4.420 nan 0.000 0.267 643 P C -0.050 177.252 177.300 0.003 0.000 1.209 643 P CA 0.518 63.626 63.100 0.013 0.000 0.763 643 P CB 0.595 32.295 31.700 0.000 0.000 0.816 644 A N 3.640 126.464 122.820 0.006 0.000 2.477 644 A HA 0.440 4.760 4.320 -0.000 0.000 0.246 644 A C 1.568 179.141 177.584 -0.019 0.000 1.078 644 A CA 0.531 52.570 52.037 0.003 0.000 0.770 644 A CB -1.155 17.852 19.000 0.012 0.000 1.011 644 A HN 0.845 nan 8.150 nan 0.000 0.494 645 G N 1.544 110.325 108.800 -0.031 0.000 2.166 645 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 645 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 645 G C 0.252 175.108 174.900 -0.073 0.000 0.986 645 G CA 0.924 45.998 45.100 -0.044 0.000 0.683 645 G HN 0.824 nan 8.290 nan 0.000 0.527 646 K N 0.143 120.479 120.400 -0.106 0.000 2.098 646 K HA 0.499 4.819 4.320 -0.000 0.000 0.261 646 K C -0.182 176.294 176.600 -0.207 0.000 0.987 646 K CA -0.404 55.815 56.287 -0.113 0.000 0.916 646 K CB 1.205 33.659 32.500 -0.077 0.000 1.039 646 K HN 0.055 nan 8.250 nan 0.000 0.455 647 T N 2.877 117.349 114.554 -0.137 0.000 2.733 647 T HA 0.409 4.759 4.350 -0.000 0.000 0.294 647 T C 0.111 174.764 174.700 -0.078 0.000 0.956 647 T CA -0.373 61.645 62.100 -0.136 0.000 0.987 647 T CB 0.002 68.844 68.868 -0.043 0.000 0.920 647 T HN 0.307 nan 8.240 nan 0.000 0.470 648 I N 2.727 123.237 120.570 -0.099 0.000 2.569 648 I HA 0.404 4.574 4.170 -0.000 0.000 0.296 648 I C 0.254 176.599 176.117 0.380 0.000 1.028 648 I CA -0.891 60.471 61.300 0.103 0.000 1.082 648 I CB 2.289 40.341 38.000 0.086 0.000 1.264 648 I HN 0.431 nan 8.210 nan 0.000 0.429 649 E N 5.355 125.764 120.200 0.347 0.000 2.179 649 E HA 0.600 4.950 4.350 -0.000 0.000 0.275 649 E C -1.437 175.426 176.600 0.439 0.000 0.945 649 E CA -0.517 56.143 56.400 0.433 0.000 0.792 649 E CB 2.125 32.093 29.700 0.446 0.000 1.125 649 E HN 0.409 nan 8.360 nan 0.000 0.397 650 F N 0.233 120.353 119.950 0.283 0.000 2.685 650 F HA 0.740 5.267 4.527 -0.000 0.000 0.315 650 F C -1.128 174.857 175.800 0.308 0.000 1.126 650 F CA -1.156 56.904 58.000 0.101 0.000 0.950 650 F CB 1.443 40.415 39.000 -0.046 0.000 1.360 650 F HN 0.183 nan 8.300 nan 0.000 0.469 651 K N 0.348 120.913 120.400 0.275 0.000 2.575 651 K HA 0.620 4.940 4.320 -0.000 0.000 0.279 651 K C -2.122 174.403 176.600 -0.125 0.000 0.969 651 K CA -0.565 55.858 56.287 0.227 0.000 0.868 651 K CB 2.261 35.056 32.500 0.492 0.000 1.457 651 K HN 0.579 nan 8.250 nan 0.000 0.426 652 F N 2.401 122.457 119.950 0.176 0.000 2.450 652 F HA 0.635 5.162 4.527 -0.000 0.000 0.328 652 F C -0.106 175.728 175.800 0.056 0.000 1.068 652 F CA -0.693 57.385 58.000 0.131 0.000 1.007 652 F CB 1.142 40.292 39.000 0.250 0.000 1.251 652 F HN 0.244 nan 8.300 nan 0.000 0.492 653 L N -0.746 120.660 121.223 0.306 0.000 2.465 653 L HA 0.680 5.020 4.340 -0.000 0.000 0.257 653 L C -1.587 175.399 176.870 0.194 0.000 0.988 653 L CA -1.246 53.677 54.840 0.138 0.000 0.827 653 L CB 2.274 44.090 42.059 -0.406 0.000 1.397 653 L HN 0.422 nan 8.230 nan 0.000 0.410 654 K N 1.795 122.277 120.400 0.135 0.000 2.235 654 K HA 0.603 4.923 4.320 -0.000 0.000 0.266 654 K C -1.171 175.425 176.600 -0.006 0.000 0.980 654 K CA -0.683 55.614 56.287 0.018 0.000 0.849 654 K CB 2.168 34.633 32.500 -0.058 0.000 1.098 654 K HN 0.524 nan 8.250 nan 0.000 0.445 655 K N 1.958 122.378 120.400 0.034 0.000 2.318 655 K HA 0.297 4.617 4.320 -0.000 0.000 0.249 655 K C -1.031 175.588 176.600 0.032 0.000 0.942 655 K CA -0.843 55.413 56.287 -0.051 0.000 0.808 655 K CB 2.315 34.625 32.500 -0.316 0.000 1.189 655 K HN 0.413 nan 8.250 nan 0.000 0.428 656 Q N 1.293 121.091 119.800 -0.003 0.000 2.374 656 Q HA 0.319 4.659 4.340 -0.000 0.000 0.250 656 Q C -0.053 175.948 176.000 0.002 0.000 0.918 656 Q CA 0.048 55.865 55.803 0.022 0.000 0.778 656 Q CB 1.331 30.085 28.738 0.027 0.000 1.328 656 Q HN 0.852 nan 8.270 nan 0.000 0.445 657 G N 2.315 111.119 108.800 0.008 0.000 2.565 657 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.295 657 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.295 657 G C 0.453 175.329 174.900 -0.039 0.000 1.165 657 G CA 0.581 45.678 45.100 -0.004 0.000 0.977 657 G HN 1.197 nan 8.290 nan 0.000 0.546 658 S N -0.970 114.709 115.700 -0.034 0.000 2.578 658 S HA 0.487 4.957 4.470 -0.000 0.000 0.231 658 S C 0.601 175.176 174.600 -0.042 0.000 0.994 658 S CA 1.113 59.282 58.200 -0.052 0.000 0.956 658 S CB 0.585 63.765 63.200 -0.033 0.000 0.870 658 S HN 0.912 nan 8.310 nan 0.000 0.494 659 T N 2.413 116.950 114.554 -0.029 0.000 2.780 659 T HA 0.519 4.869 4.350 -0.000 0.000 0.294 659 T C -0.617 174.065 174.700 -0.030 0.000 0.949 659 T CA -0.171 61.923 62.100 -0.009 0.000 1.074 659 T CB 1.402 70.274 68.868 0.007 0.000 0.910 659 T HN 0.230 nan 8.240 nan 0.000 0.501 660 V N 4.158 124.060 119.914 -0.019 0.000 2.628 660 V HA 0.695 4.814 4.120 -0.000 0.000 0.306 660 V C -0.473 175.627 176.094 0.009 0.000 1.045 660 V CA -0.345 61.915 62.300 -0.067 0.000 0.905 660 V CB 2.355 34.086 31.823 -0.154 0.000 0.997 660 V HN 0.952 nan 8.190 nan 0.000 0.436 661 T N 5.871 120.418 114.554 -0.011 0.000 2.847 661 T HA 0.421 4.771 4.350 -0.000 0.000 0.291 661 T C -1.012 173.767 174.700 0.131 0.000 0.998 661 T CA -0.106 62.072 62.100 0.131 0.000 0.967 661 T CB 0.681 69.646 68.868 0.162 0.000 0.954 661 T HN 0.653 nan 8.240 nan 0.000 0.441 662 W N 1.909 123.296 121.300 0.146 0.000 2.237 662 W HA 0.381 5.041 4.660 -0.000 0.000 0.335 662 W C 1.010 177.532 176.519 0.005 0.000 1.230 662 W CA -0.673 56.724 57.345 0.086 0.000 1.253 662 W CB 0.425 29.889 29.460 0.006 0.000 1.129 662 W HN 0.583 nan 8.180 nan 0.000 0.590 663 E N 0.679 120.859 120.200 -0.034 0.000 2.390 663 E HA 0.304 4.654 4.350 -0.000 0.000 0.261 663 E C 0.502 176.981 176.600 -0.202 0.000 1.076 663 E CA -0.086 55.933 56.400 -0.634 0.000 0.905 663 E CB 0.659 29.943 29.700 -0.693 0.000 0.984 663 E HN 0.619 nan 8.360 nan 0.000 0.427 664 G N 0.666 109.320 108.800 -0.244 0.000 2.522 664 G HA2 0.574 4.534 3.960 -0.000 0.000 0.304 664 G HA3 0.574 4.534 3.960 -0.000 0.000 0.304 664 G C 0.165 174.963 174.900 -0.170 0.000 1.210 664 G CA 0.126 45.154 45.100 -0.119 0.000 0.960 664 G HN 0.838 nan 8.290 nan 0.000 0.497 665 G N -0.690 108.028 108.800 -0.137 0.000 2.484 665 G HA2 0.238 4.198 3.960 -0.000 0.000 0.225 665 G HA3 0.238 4.198 3.960 -0.000 0.000 0.225 665 G C 0.224 175.015 174.900 -0.182 0.000 1.250 665 G CA 0.470 45.476 45.100 -0.156 0.000 0.926 665 G HN 2.005 nan 8.290 nan 0.000 0.581 666 S N 0.181 115.755 115.700 -0.210 0.000 2.664 666 S HA 0.692 5.162 4.470 -0.000 0.000 0.304 666 S C -0.013 174.427 174.600 -0.267 0.000 1.099 666 S CA -0.675 57.404 58.200 -0.203 0.000 1.003 666 S CB 1.613 64.722 63.200 -0.152 0.000 1.092 666 S HN 0.897 nan 8.310 nan 0.000 0.525 667 N N 2.077 120.667 118.700 -0.184 0.000 2.407 667 N HA 0.078 4.818 4.740 -0.000 0.000 0.250 667 N C 0.053 175.417 175.510 -0.243 0.000 1.236 667 N CA 0.370 53.343 53.050 -0.129 0.000 0.879 667 N CB -0.127 38.410 38.487 0.083 0.000 1.088 667 N HN 0.613 nan 8.380 nan 0.000 0.450 668 H N 0.380 119.258 119.070 -0.320 0.000 2.603 668 H HA 0.354 4.910 4.556 -0.000 0.000 0.370 668 H C 0.126 175.243 175.328 -0.352 0.000 1.225 668 H CA 0.321 56.077 56.048 -0.487 0.000 1.410 668 H CB 0.928 30.031 29.762 -1.099 0.000 1.495 668 H HN 0.378 nan 8.280 nan 0.000 0.602 669 T N 1.282 115.890 114.554 0.090 0.000 2.883 669 T HA 0.482 4.832 4.350 -0.000 0.000 0.301 669 T C -1.107 173.969 174.700 0.628 0.000 1.158 669 T CA -0.741 61.571 62.100 0.353 0.000 1.007 669 T CB 1.788 70.781 68.868 0.208 0.000 1.186 669 T HN 0.568 nan 8.240 nan 0.000 0.499 670 F N -1.082 119.067 119.950 0.332 0.000 2.829 670 F HA 0.618 5.145 4.527 -0.000 0.000 0.319 670 F C -2.037 173.861 175.800 0.164 0.000 1.153 670 F CA -0.820 57.326 58.000 0.244 0.000 0.912 670 F CB 0.632 39.793 39.000 0.267 0.000 1.292 670 F HN 0.492 nan 8.300 nan 0.000 0.447 671 T N 2.701 117.057 114.554 -0.331 0.000 2.809 671 T HA 0.789 5.139 4.350 -0.000 0.000 0.284 671 T C -0.168 174.267 174.700 -0.440 0.000 0.992 671 T CA -0.107 61.729 62.100 -0.441 0.000 0.957 671 T CB 1.245 70.039 68.868 -0.124 0.000 0.942 671 T HN 0.968 nan 8.240 nan 0.000 0.439 672 A N 5.503 127.980 122.820 -0.571 0.000 2.462 672 A HA 0.586 4.906 4.320 -0.000 0.000 0.243 672 A C -2.115 175.455 177.584 -0.024 0.000 1.076 672 A CA -1.189 50.739 52.037 -0.183 0.000 0.773 672 A CB -0.348 18.564 19.000 -0.146 0.000 1.010 672 A HN 0.493 nan 8.150 nan 0.000 0.493 673 P HA 0.098 nan 4.420 nan 0.000 0.270 673 P C 0.626 177.948 177.300 0.036 0.000 1.227 673 P CA -0.040 63.094 63.100 0.057 0.000 0.788 673 P CB 0.586 32.334 31.700 0.080 0.000 0.926 674 S N -1.208 114.511 115.700 0.032 0.000 2.501 674 S HA 0.091 4.560 4.470 -0.000 0.000 0.220 674 S C 0.741 175.360 174.600 0.031 0.000 0.997 674 S CA 0.651 58.865 58.200 0.023 0.000 0.919 674 S CB -0.255 62.956 63.200 0.019 0.000 0.778 674 S HN 0.767 nan 8.310 nan 0.000 0.523 675 S N -1.575 114.152 115.700 0.045 0.000 2.627 675 S HA 0.635 5.105 4.470 -0.000 0.000 0.268 675 S C -0.052 174.592 174.600 0.074 0.000 1.130 675 S CA -0.341 57.891 58.200 0.054 0.000 0.819 675 S CB 0.691 63.916 63.200 0.042 0.000 1.100 675 S HN 0.988 nan 8.310 nan 0.000 0.465 676 G N 0.645 109.502 108.800 0.095 0.000 2.645 676 G HA2 0.247 4.207 3.960 -0.000 0.000 0.239 676 G HA3 0.247 4.207 3.960 -0.000 0.000 0.239 676 G C 0.038 175.017 174.900 0.132 0.000 1.331 676 G CA 0.602 45.771 45.100 0.114 0.000 0.890 676 G HN 2.395 nan 8.290 nan 0.000 0.572 677 T N -2.787 111.845 114.554 0.129 0.000 2.807 677 T HA 1.052 5.401 4.350 -0.000 0.000 0.277 677 T C 0.097 174.856 174.700 0.098 0.000 1.006 677 T CA 0.481 62.663 62.100 0.137 0.000 1.006 677 T CB 1.781 70.746 68.868 0.161 0.000 1.274 677 T HN 2.720 nan 8.240 nan 0.000 0.569 678 A N -0.114 122.753 122.820 0.077 0.000 2.566 678 A HA 0.708 5.028 4.320 -0.000 0.000 0.290 678 A C -0.867 176.698 177.584 -0.032 0.000 1.071 678 A CA -0.928 51.129 52.037 0.034 0.000 0.658 678 A CB 1.151 20.183 19.000 0.053 0.000 1.285 678 A HN 0.943 nan 8.150 nan 0.000 0.427 679 T N 1.417 115.933 114.554 -0.064 0.000 2.840 679 T HA 0.586 4.936 4.350 -0.000 0.000 0.287 679 T C -0.660 173.922 174.700 -0.196 0.000 0.991 679 T CA -0.020 62.008 62.100 -0.119 0.000 0.964 679 T CB 0.503 69.356 68.868 -0.025 0.000 0.954 679 T HN 0.480 nan 8.240 nan 0.000 0.438 680 I N 3.577 123.925 120.570 -0.371 0.000 2.354 680 I HA 0.440 4.609 4.170 -0.000 0.000 0.292 680 I C 0.003 176.010 176.117 -0.183 0.000 0.989 680 I CA -0.845 60.241 61.300 -0.356 0.000 1.188 680 I CB 1.129 38.662 38.000 -0.779 0.000 1.342 680 I HN 0.387 nan 8.210 nan 0.000 0.457 681 N N 6.341 124.996 118.700 -0.075 0.000 2.372 681 N HA 0.652 5.392 4.740 -0.000 0.000 0.285 681 N C -1.066 174.450 175.510 0.011 0.000 1.008 681 N CA -0.252 52.770 53.050 -0.046 0.000 0.880 681 N CB 2.277 40.743 38.487 -0.034 0.000 1.239 681 N HN 0.522 nan 8.380 nan 0.000 0.484 682 V N 0.825 120.742 119.914 0.005 0.000 3.182 682 V HA 0.690 4.810 4.120 -0.000 0.000 0.308 682 V C -0.873 175.230 176.094 0.015 0.000 1.240 682 V CA -1.055 61.259 62.300 0.024 0.000 1.063 682 V CB 2.150 33.949 31.823 -0.041 0.000 1.076 682 V HN 0.503 nan 8.190 nan 0.000 0.446 683 N N 1.365 120.121 118.700 0.093 0.000 2.417 683 N HA 0.265 5.005 4.740 -0.000 0.000 0.300 683 N C -0.889 174.749 175.510 0.214 0.000 1.102 683 N CA -0.291 52.833 53.050 0.124 0.000 0.886 683 N CB 2.113 40.676 38.487 0.126 0.000 1.203 683 N HN 1.020 nan 8.380 nan 0.000 0.496 684 W N 2.425 123.731 121.300 0.010 0.000 2.264 684 W HA 0.032 4.692 4.660 -0.000 0.000 0.331 684 W C -0.763 175.824 176.519 0.114 0.000 1.364 684 W CA 0.175 57.557 57.345 0.062 0.000 1.253 684 W CB 0.308 29.754 29.460 -0.023 0.000 1.215 684 W HN 0.443 nan 8.180 nan 0.000 0.561 685 Q N 7.996 127.592 119.800 -0.340 0.000 2.278 685 Q HA 0.276 4.616 4.340 -0.000 0.000 0.257 685 Q C -1.869 173.938 176.000 -0.322 0.000 0.928 685 Q CA -1.719 53.953 55.803 -0.218 0.000 0.932 685 Q CB 1.538 30.157 28.738 -0.198 0.000 1.221 685 Q HN 0.219 nan 8.270 nan 0.000 0.434 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.219 63.100 0.198 0.000 0.800 686 P CB 0.000 31.838 31.700 0.231 0.000 0.726