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 1jf5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETAAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.214 176.300 -0.143 0.000 1.140 1 M CA 0.000 55.241 55.300 -0.099 0.000 0.988 1 M CB 0.000 32.540 32.600 -0.101 0.000 1.302 2 L N 3.375 124.521 121.223 -0.129 0.000 2.334 2 L HA 0.314 4.655 4.340 0.001 0.000 0.286 2 L C 1.095 177.839 176.870 -0.211 0.000 1.108 2 L CA 0.071 54.823 54.840 -0.146 0.000 0.875 2 L CB 0.118 42.118 42.059 -0.098 0.000 1.246 2 L HN 0.754 nan 8.230 nan 0.000 0.439 3 L N 1.081 122.089 121.223 -0.358 0.000 2.191 3 L HA -0.168 4.173 4.340 0.001 0.000 0.212 3 L C 1.659 178.345 176.870 -0.307 0.000 1.103 3 L CA 1.008 55.465 54.840 -0.638 0.000 0.769 3 L CB -0.314 41.021 42.059 -1.207 0.000 0.908 3 L HN 0.620 nan 8.230 nan 0.000 0.438 4 E N 0.440 120.554 120.200 -0.144 0.000 2.472 4 E HA -0.088 4.263 4.350 0.001 0.000 0.200 4 E C 1.816 178.436 176.600 0.033 0.000 1.046 4 E CA 0.857 57.251 56.400 -0.010 0.000 0.871 4 E CB -0.047 29.649 29.700 -0.007 0.000 0.806 4 E HN 0.462 nan 8.360 nan 0.000 0.533 5 A N 0.210 123.035 122.820 0.008 0.000 2.348 5 A HA 0.227 4.548 4.320 0.001 0.000 0.224 5 A C 0.561 178.246 177.584 0.168 0.000 1.227 5 A CA -0.302 51.791 52.037 0.093 0.000 0.885 5 A CB 0.126 19.145 19.000 0.033 0.000 0.933 5 A HN 0.075 nan 8.150 nan 0.000 0.506 6 I N 0.005 120.629 120.570 0.090 0.000 2.428 6 I HA 0.412 4.583 4.170 0.001 0.000 0.289 6 I C -0.448 175.795 176.117 0.211 0.000 1.019 6 I CA -0.299 61.062 61.300 0.103 0.000 1.351 6 I CB 1.060 39.026 38.000 -0.056 0.000 1.412 6 I HN 0.272 nan 8.210 nan 0.000 0.513 7 F N 6.256 126.243 119.950 0.061 0.000 2.588 7 F HA 0.605 5.133 4.527 0.001 0.000 0.310 7 F C -0.798 175.038 175.800 0.060 0.000 1.082 7 F CA -0.311 57.715 58.000 0.043 0.000 0.929 7 F CB 1.515 40.419 39.000 -0.158 0.000 1.254 7 F HN 0.513 nan 8.300 nan 0.000 0.455 8 H N 3.077 121.299 119.070 -1.415 0.000 3.005 8 H HA 0.377 4.934 4.556 0.002 0.000 0.311 8 H C -2.195 172.433 175.328 -1.166 0.000 1.366 8 H CA -0.527 54.752 56.048 -1.281 0.000 1.210 8 H CB 2.289 31.535 29.762 -0.859 0.000 1.894 8 H HN 0.819 nan 8.280 nan 0.000 0.520 9 E N 1.564 120.774 120.200 -1.650 0.000 2.352 9 E HA 0.565 4.916 4.350 0.001 0.000 0.280 9 E C -1.278 174.839 176.600 -0.806 0.000 0.930 9 E CA -1.007 54.862 56.400 -0.885 0.000 0.765 9 E CB 1.951 31.460 29.700 -0.318 0.000 1.219 9 E HN 0.546 nan 8.360 nan 0.000 0.434 10 A N 3.235 125.893 122.820 -0.271 0.000 2.958 10 A HA 0.205 4.525 4.320 0.001 0.000 0.247 10 A C -0.010 177.700 177.584 0.210 0.000 1.679 10 A CA 0.625 52.718 52.037 0.093 0.000 1.345 10 A CB -1.016 18.141 19.000 0.262 0.000 1.013 10 A HN 0.609 nan 8.150 nan 0.000 0.641 11 K N -2.845 117.645 120.400 0.151 0.000 2.889 11 K HA 0.572 4.892 4.320 0.001 0.000 0.290 11 K C 0.657 177.399 176.600 0.236 0.000 1.035 11 K CA -0.505 55.929 56.287 0.246 0.000 0.776 11 K CB -0.467 32.127 32.500 0.158 0.000 1.457 11 K HN 1.343 nan 8.250 nan 0.000 0.363 12 G N 0.703 109.639 108.800 0.227 0.000 2.651 12 G HA2 -0.354 3.607 3.960 0.001 0.000 0.315 12 G HA3 -0.354 3.607 3.960 0.001 0.000 0.315 12 G C 0.616 175.662 174.900 0.244 0.000 1.258 12 G CA 0.722 45.953 45.100 0.217 0.000 1.002 12 G HN 0.735 nan 8.290 nan 0.000 0.551 13 S N -0.158 115.684 115.700 0.237 0.000 2.575 13 S HA 0.284 4.755 4.470 0.001 0.000 0.215 13 S C 1.290 175.875 174.600 -0.024 0.000 0.966 13 S CA 1.063 59.312 58.200 0.082 0.000 0.911 13 S CB 0.055 63.220 63.200 -0.059 0.000 0.780 13 S HN 0.476 nan 8.310 nan 0.000 0.514 14 Y N 1.222 121.649 120.300 0.212 0.000 2.467 14 Y HA 0.564 5.115 4.550 0.001 0.000 0.250 14 Y C 0.713 176.651 175.900 0.063 0.000 1.155 14 Y CA -0.251 57.919 58.100 0.116 0.000 1.249 14 Y CB 0.656 39.080 38.460 -0.059 0.000 1.146 14 Y HN 0.197 nan 8.280 nan 0.000 0.524 15 A N 0.357 123.291 122.820 0.189 0.000 2.541 15 A HA 0.628 4.949 4.320 0.001 0.000 0.285 15 A C -1.765 175.847 177.584 0.048 0.000 1.058 15 A CA -0.546 51.510 52.037 0.033 0.000 0.886 15 A CB -0.162 18.930 19.000 0.153 0.000 1.411 15 A HN 0.259 nan 8.150 nan 0.000 0.403 16 Y N 0.741 120.932 120.300 -0.182 0.000 2.592 16 Y HA 0.856 5.407 4.550 0.002 0.000 0.334 16 Y C -3.310 172.443 175.900 -0.245 0.000 1.136 16 Y CA -2.643 55.342 58.100 -0.192 0.000 1.042 16 Y CB 1.278 39.736 38.460 -0.003 0.000 1.325 16 Y HN 0.369 nan 8.280 nan 0.000 0.457 17 P HA 0.350 nan 4.420 nan 0.000 0.281 17 P C 0.200 177.553 177.300 0.088 0.000 1.249 17 P CA -0.386 62.669 63.100 -0.076 0.000 0.810 17 P CB 2.320 34.001 31.700 -0.031 0.000 1.008 18 I N -1.896 118.677 120.570 0.005 0.000 4.288 18 I HA 0.314 4.485 4.170 0.001 0.000 0.331 18 I C 0.571 176.702 176.117 0.024 0.000 1.322 18 I CA -0.085 61.243 61.300 0.046 0.000 1.149 18 I CB 0.550 38.549 38.000 -0.001 0.000 1.112 18 I HN 0.249 nan 8.210 nan 0.000 0.403 19 S N 0.302 116.005 115.700 0.004 0.000 2.705 19 S HA 0.303 4.773 4.470 0.001 0.000 0.280 19 S C 0.369 174.979 174.600 0.016 0.000 1.174 19 S CA -0.406 57.800 58.200 0.010 0.000 0.823 19 S CB 1.744 64.938 63.200 -0.011 0.000 1.162 19 S HN 0.266 nan 8.310 nan 0.000 0.487 20 E N -0.349 119.865 120.200 0.023 0.000 2.274 20 E HA -0.031 4.320 4.350 0.001 0.000 0.194 20 E C 0.785 177.381 176.600 -0.007 0.000 0.996 20 E CA 1.560 57.978 56.400 0.030 0.000 0.840 20 E CB 0.041 29.763 29.700 0.037 0.000 0.772 20 E HN 0.704 nan 8.360 nan 0.000 0.491 21 T N -2.486 112.054 114.554 -0.023 0.000 3.145 21 T HA 0.224 4.575 4.350 0.001 0.000 0.281 21 T C 0.088 174.749 174.700 -0.065 0.000 1.003 21 T CA -0.522 61.552 62.100 -0.043 0.000 0.901 21 T CB 0.373 69.224 68.868 -0.029 0.000 1.112 21 T HN -0.071 nan 8.240 nan 0.000 0.535 22 Q N 1.280 121.031 119.800 -0.081 0.000 2.309 22 Q HA 0.634 4.974 4.340 0.001 0.000 0.270 22 Q C -1.837 174.046 176.000 -0.195 0.000 1.023 22 Q CA -0.872 54.856 55.803 -0.127 0.000 0.758 22 Q CB 2.745 31.424 28.738 -0.098 0.000 1.247 22 Q HN 0.203 nan 8.270 nan 0.000 0.455 23 L N 2.610 123.662 121.223 -0.284 0.000 2.287 23 L HA 0.500 4.841 4.340 0.001 0.000 0.287 23 L C -0.713 175.875 176.870 -0.470 0.000 1.022 23 L CA -0.371 54.224 54.840 -0.409 0.000 0.814 23 L CB 1.116 42.897 42.059 -0.464 0.000 1.217 23 L HN 0.474 nan 8.230 nan 0.000 0.420 24 R N 3.735 123.900 120.500 -0.559 0.000 2.441 24 R HA 0.718 5.059 4.340 0.001 0.000 0.284 24 R C -1.371 174.596 176.300 -0.555 0.000 1.070 24 R CA -0.328 55.423 56.100 -0.581 0.000 1.047 24 R CB 1.055 30.882 30.300 -0.787 0.000 1.016 24 R HN 0.515 nan 8.270 nan 0.000 0.477 25 V N 1.690 121.385 119.914 -0.365 0.000 2.638 25 V HA 0.688 4.809 4.120 0.001 0.000 0.306 25 V C -0.471 175.638 176.094 0.025 0.000 1.052 25 V CA -1.033 61.163 62.300 -0.173 0.000 0.885 25 V CB 1.919 33.569 31.823 -0.288 0.000 0.999 25 V HN 0.712 nan 8.190 nan 0.000 0.424 26 R N 2.845 123.468 120.500 0.206 0.000 2.740 26 R HA 0.870 5.211 4.340 0.001 0.000 0.282 26 R C -1.633 174.976 176.300 0.515 0.000 0.969 26 R CA -0.829 55.455 56.100 0.305 0.000 0.918 26 R CB 2.757 33.132 30.300 0.124 0.000 1.175 26 R HN 0.826 nan 8.270 nan 0.000 0.464 27 L N 1.864 123.369 121.223 0.469 0.000 2.482 27 L HA 0.539 4.879 4.340 0.001 0.000 0.263 27 L C -1.130 175.979 176.870 0.397 0.000 0.957 27 L CA -0.583 54.449 54.840 0.320 0.000 0.836 27 L CB 1.845 43.990 42.059 0.143 0.000 1.324 27 L HN 0.681 nan 8.230 nan 0.000 0.406 28 R N 4.175 124.842 120.500 0.278 0.000 2.854 28 R HA 1.038 5.379 4.340 0.001 0.000 0.271 28 R C -1.485 174.934 176.300 0.200 0.000 0.996 28 R CA -0.581 55.601 56.100 0.135 0.000 0.961 28 R CB 2.090 32.289 30.300 -0.168 0.000 1.182 28 R HN 0.756 nan 8.270 nan 0.000 0.479 29 A N 1.445 124.414 122.820 0.248 0.000 2.599 29 A HA 0.426 4.747 4.320 0.001 0.000 0.290 29 A C -1.343 176.381 177.584 0.234 0.000 1.101 29 A CA -0.994 51.192 52.037 0.248 0.000 0.674 29 A CB 1.412 20.523 19.000 0.184 0.000 1.277 29 A HN 0.799 nan 8.150 nan 0.000 0.419 30 K N 1.032 121.486 120.400 0.089 0.000 2.524 30 K HA 0.038 4.359 4.320 0.001 0.000 0.279 30 K C 0.227 176.817 176.600 -0.016 0.000 0.993 30 K CA 0.357 56.603 56.287 -0.068 0.000 1.030 30 K CB 0.278 32.723 32.500 -0.092 0.000 0.891 30 K HN 0.575 nan 8.250 nan 0.000 0.488 31 K N 2.860 123.218 120.400 -0.069 0.000 2.466 31 K HA -0.065 4.256 4.320 0.001 0.000 0.278 31 K C 0.693 177.299 176.600 0.010 0.000 1.048 31 K CA 1.276 57.557 56.287 -0.011 0.000 1.088 31 K CB -0.208 32.272 32.500 -0.034 0.000 0.884 31 K HN 0.870 nan 8.250 nan 0.000 0.478 32 G N 3.749 112.580 108.800 0.052 0.000 2.225 32 G HA2 -0.315 3.646 3.960 0.001 0.000 0.254 32 G HA3 -0.315 3.646 3.960 0.001 0.000 0.254 32 G C 0.752 175.687 174.900 0.058 0.000 0.988 32 G CA 0.494 45.626 45.100 0.054 0.000 0.625 32 G HN 0.793 nan 8.290 nan 0.000 0.527 33 D N -0.128 120.304 120.400 0.054 0.000 2.178 33 D HA 0.132 4.772 4.640 0.001 0.000 0.201 33 D C 1.141 177.468 176.300 0.045 0.000 0.980 33 D CA 1.485 55.505 54.000 0.033 0.000 0.842 33 D CB 0.124 40.930 40.800 0.011 0.000 0.948 33 D HN 0.392 nan 8.370 nan 0.000 0.472 34 V N 0.006 119.985 119.914 0.109 0.000 2.604 34 V HA 0.202 4.323 4.120 0.001 0.000 0.305 34 V C 0.938 177.112 176.094 0.134 0.000 1.043 34 V CA -0.595 61.743 62.300 0.063 0.000 0.888 34 V CB 2.243 34.050 31.823 -0.027 0.000 0.995 34 V HN -0.166 nan 8.190 nan 0.000 0.429 35 V N 3.418 123.363 119.914 0.052 0.000 3.379 35 V HA 0.322 4.443 4.120 0.001 0.000 0.249 35 V C 0.656 176.793 176.094 0.071 0.000 1.184 35 V CA 0.482 62.844 62.300 0.104 0.000 1.106 35 V CB 0.080 31.942 31.823 0.065 0.000 0.826 35 V HN 0.794 nan 8.190 nan 0.000 0.465 36 R N -0.196 120.260 120.500 -0.073 0.000 2.548 36 R HA 0.566 4.907 4.340 0.001 0.000 0.280 36 R C -1.919 174.232 176.300 -0.249 0.000 1.061 36 R CA -0.340 55.702 56.100 -0.097 0.000 0.915 36 R CB 1.924 32.208 30.300 -0.028 0.000 1.210 36 R HN 0.240 nan 8.270 nan 0.000 0.442 37 C N 4.015 123.136 119.300 -0.298 0.000 2.346 37 C HA 0.551 5.012 4.460 0.001 0.000 0.326 37 C C -0.676 174.289 174.990 -0.042 0.000 1.224 37 C CA -0.290 58.583 59.018 -0.242 0.000 1.408 37 C CB 0.902 28.338 27.740 -0.507 0.000 2.089 37 C HN 0.911 nan 8.230 nan 0.000 0.456 38 E N 3.374 123.571 120.200 -0.006 0.000 2.227 38 E HA 0.619 4.970 4.350 0.001 0.000 0.268 38 E C -1.307 175.261 176.600 -0.053 0.000 0.907 38 E CA -0.465 55.939 56.400 0.007 0.000 0.786 38 E CB 2.348 32.074 29.700 0.044 0.000 1.191 38 E HN 0.596 nan 8.360 nan 0.000 0.411 39 V N 4.393 124.256 119.914 -0.084 0.000 2.378 39 V HA 0.257 4.378 4.120 0.001 0.000 0.288 39 V C -0.769 175.347 176.094 0.037 0.000 1.016 39 V CA -0.723 61.448 62.300 -0.216 0.000 0.840 39 V CB 1.154 32.719 31.823 -0.430 0.000 0.994 39 V HN 0.472 nan 8.190 nan 0.000 0.431 40 L N 7.399 128.647 121.223 0.041 0.000 2.272 40 L HA 0.654 4.995 4.340 0.001 0.000 0.289 40 L C -0.395 176.551 176.870 0.127 0.000 1.032 40 L CA -0.276 54.561 54.840 -0.005 0.000 0.810 40 L CB 0.664 42.721 42.059 -0.003 0.000 1.205 40 L HN 0.730 nan 8.230 nan 0.000 0.422 41 Y N 1.515 121.755 120.300 -0.100 0.000 2.689 41 Y HA 0.992 5.543 4.550 0.002 0.000 0.333 41 Y C -0.704 175.174 175.900 -0.036 0.000 1.190 41 Y CA -1.266 56.825 58.100 -0.016 0.000 1.063 41 Y CB 1.585 40.052 38.460 0.011 0.000 1.294 41 Y HN 0.670 nan 8.280 nan 0.000 0.466 42 A N 0.652 123.558 122.820 0.143 0.000 2.540 42 A HA 0.439 4.760 4.320 0.001 0.000 0.291 42 A C -1.991 175.669 177.584 0.126 0.000 1.083 42 A CA -0.576 51.479 52.037 0.031 0.000 0.650 42 A CB 0.887 19.861 19.000 -0.044 0.000 1.292 42 A HN 0.905 nan 8.150 nan 0.000 0.435 43 D N -0.294 120.161 120.400 0.091 0.000 2.423 43 D HA 0.266 4.907 4.640 0.001 0.000 0.238 43 D C 1.289 177.646 176.300 0.096 0.000 1.142 43 D CA 0.110 54.179 54.000 0.115 0.000 0.884 43 D CB 0.659 41.530 40.800 0.119 0.000 1.199 43 D HN 0.442 nan 8.370 nan 0.000 0.438 44 R N 2.036 122.586 120.500 0.084 0.000 2.159 44 R HA -0.192 4.149 4.340 0.001 0.000 0.237 44 R C 0.819 176.988 176.300 -0.219 0.000 1.131 44 R CA 1.260 57.308 56.100 -0.086 0.000 0.982 44 R CB -0.234 29.963 30.300 -0.173 0.000 0.868 44 R HN 0.622 nan 8.270 nan 0.000 0.453 45 Y N -0.198 120.120 120.300 0.031 0.000 2.485 45 Y HA 0.346 4.897 4.550 0.001 0.000 0.260 45 Y C 0.808 176.714 175.900 0.010 0.000 1.173 45 Y CA -0.564 57.548 58.100 0.021 0.000 1.252 45 Y CB 0.241 38.716 38.460 0.025 0.000 1.123 45 Y HN -0.018 nan 8.280 nan 0.000 0.524 46 A N 0.567 123.462 122.820 0.124 0.000 2.531 46 A HA 0.180 4.501 4.320 0.001 0.000 0.236 46 A C 0.811 178.419 177.584 0.041 0.000 1.062 46 A CA 0.052 52.130 52.037 0.069 0.000 0.760 46 A CB 0.047 19.068 19.000 0.034 0.000 0.995 46 A HN 0.249 nan 8.150 nan 0.000 0.501 47 S N 2.879 118.598 115.700 0.032 0.000 2.558 47 S HA 0.198 4.669 4.470 0.001 0.000 0.288 47 S C -0.694 173.906 174.600 -0.001 0.000 1.318 47 S CA -0.550 57.660 58.200 0.017 0.000 1.056 47 S CB 0.412 63.620 63.200 0.013 0.000 0.853 47 S HN 0.600 nan 8.310 nan 0.000 0.505 48 P HA -0.097 nan 4.420 nan 0.000 0.223 48 P C 0.508 177.795 177.300 -0.022 0.000 1.144 48 P CA 1.147 64.235 63.100 -0.021 0.000 0.783 48 P CB 0.116 31.803 31.700 -0.022 0.000 0.771 49 E N -0.187 120.004 120.200 -0.015 0.000 2.385 49 E HA 0.009 4.359 4.350 0.001 0.000 0.194 49 E C 0.447 177.038 176.600 -0.016 0.000 1.013 49 E CA -0.016 56.376 56.400 -0.015 0.000 0.866 49 E CB 0.070 29.765 29.700 -0.009 0.000 0.832 49 E HN 0.532 nan 8.360 nan 0.000 0.500 50 E N 1.626 121.815 120.200 -0.018 0.000 2.408 50 E HA 0.043 4.394 4.350 0.001 0.000 0.259 50 E C 0.015 176.593 176.600 -0.036 0.000 1.110 50 E CA -0.026 56.360 56.400 -0.023 0.000 0.929 50 E CB 0.623 30.310 29.700 -0.021 0.000 0.971 50 E HN 0.010 nan 8.360 nan 0.000 0.438 51 E N 1.327 121.504 120.200 -0.039 0.000 2.354 51 E HA 0.135 4.486 4.350 0.001 0.000 0.269 51 E C -0.293 176.241 176.600 -0.111 0.000 1.036 51 E CA -0.135 56.234 56.400 -0.051 0.000 0.876 51 E CB 0.803 30.490 29.700 -0.021 0.000 1.009 51 E HN 0.295 nan 8.360 nan 0.000 0.416 52 L N 1.550 122.671 121.223 -0.171 0.000 2.375 52 L HA 0.303 4.644 4.340 0.001 0.000 0.271 52 L C 0.574 177.164 176.870 -0.466 0.000 1.107 52 L CA -0.518 54.147 54.840 -0.292 0.000 0.806 52 L CB 1.018 42.907 42.059 -0.283 0.000 1.146 52 L HN 0.473 nan 8.230 nan 0.000 0.447 53 A N 1.670 124.111 122.820 -0.630 0.000 2.371 53 A HA 0.445 4.766 4.320 0.001 0.000 0.257 53 A C -0.750 176.397 177.584 -0.729 0.000 1.089 53 A CA -0.244 51.369 52.037 -0.706 0.000 0.794 53 A CB -0.017 18.347 19.000 -1.060 0.000 1.029 53 A HN 0.747 nan 8.150 nan 0.000 0.488 54 H N -0.286 118.655 119.070 -0.216 0.000 2.499 54 H HA 0.683 5.239 4.556 0.001 0.000 0.340 54 H C -0.002 175.389 175.328 0.105 0.000 1.148 54 H CA 0.491 56.519 56.048 -0.034 0.000 1.215 54 H CB 1.843 31.596 29.762 -0.014 0.000 1.529 54 H HN 0.872 nan 8.280 nan 0.000 0.510 55 A N 2.612 125.590 122.820 0.263 0.000 2.442 55 A HA 0.385 4.706 4.320 0.001 0.000 0.284 55 A C -1.493 176.136 177.584 0.076 0.000 1.058 55 A CA -0.616 51.523 52.037 0.170 0.000 0.738 55 A CB 0.671 19.753 19.000 0.137 0.000 1.242 55 A HN 0.532 nan 8.150 nan 0.000 0.421 56 L N 2.880 124.142 121.223 0.066 0.000 2.313 56 L HA 0.610 4.951 4.340 0.001 0.000 0.282 56 L C 0.587 177.493 176.870 0.061 0.000 1.092 56 L CA 0.284 55.160 54.840 0.059 0.000 0.831 56 L CB 0.963 43.058 42.059 0.061 0.000 1.159 56 L HN 0.826 nan 8.230 nan 0.000 0.442 57 A N 5.033 127.906 122.820 0.088 0.000 2.391 57 A HA 0.625 4.946 4.320 0.001 0.000 0.316 57 A C 0.590 178.336 177.584 0.270 0.000 1.381 57 A CA -0.022 52.107 52.037 0.153 0.000 0.998 57 A CB -0.538 18.577 19.000 0.192 0.000 1.147 57 A HN 0.886 nan 8.150 nan 0.000 0.545 58 G N 1.280 110.195 108.800 0.191 0.000 2.594 58 G HA2 0.339 4.300 3.960 0.001 0.000 0.243 58 G HA3 0.339 4.300 3.960 0.001 0.000 0.243 58 G C 0.179 175.190 174.900 0.185 0.000 1.229 58 G CA -0.578 44.636 45.100 0.190 0.000 0.843 58 G HN 0.815 nan 8.290 nan 0.000 0.578 59 K N 1.111 121.552 120.400 0.068 0.000 2.315 59 K HA 0.351 4.672 4.320 0.001 0.000 0.291 59 K C 1.207 177.752 176.600 -0.092 0.000 1.074 59 K CA 0.042 56.176 56.287 -0.254 0.000 0.936 59 K CB 0.397 32.706 32.500 -0.319 0.000 1.049 59 K HN 0.391 nan 8.250 nan 0.000 0.471 60 A N 3.828 126.614 122.820 -0.056 0.000 2.167 60 A HA 0.209 4.530 4.320 0.001 0.000 0.214 60 A C 0.816 178.398 177.584 -0.004 0.000 1.151 60 A CA 1.002 53.034 52.037 -0.008 0.000 0.735 60 A CB -0.176 18.827 19.000 0.005 0.000 0.802 60 A HN 0.921 nan 8.150 nan 0.000 0.467 61 G N -2.197 106.610 108.800 0.011 0.000 2.356 61 G HA2 0.504 4.464 3.960 0.001 0.000 0.300 61 G HA3 0.504 4.464 3.960 0.001 0.000 0.300 61 G C -0.831 174.179 174.900 0.184 0.000 1.331 61 G CA 0.019 45.157 45.100 0.063 0.000 0.905 61 G HN 1.407 nan 8.290 nan 0.000 0.587 62 S N -0.414 115.411 115.700 0.207 0.000 2.535 62 S HA 0.750 5.220 4.470 0.001 0.000 0.272 62 S C -0.909 173.838 174.600 0.245 0.000 1.149 62 S CA 0.053 58.418 58.200 0.275 0.000 0.888 62 S CB 2.564 65.835 63.200 0.117 0.000 1.110 62 S HN 1.352 nan 8.310 nan 0.000 0.463 63 D N 1.082 121.673 120.400 0.319 0.000 2.577 63 D HA 0.365 5.006 4.640 0.001 0.000 0.248 63 D C 1.099 177.480 176.300 0.135 0.000 1.181 63 D CA -0.556 53.575 54.000 0.219 0.000 1.083 63 D CB -0.323 40.651 40.800 0.290 0.000 1.198 63 D HN 0.579 nan 8.370 nan 0.000 0.626 64 E N -0.793 119.469 120.200 0.102 0.000 2.118 64 E HA -0.183 4.168 4.350 0.001 0.000 0.195 64 E C 1.602 178.204 176.600 0.002 0.000 0.992 64 E CA 1.648 58.075 56.400 0.044 0.000 0.804 64 E CB 0.173 29.890 29.700 0.029 0.000 0.741 64 E HN 0.376 nan 8.360 nan 0.000 0.458 65 R N -1.954 118.543 120.500 -0.006 0.000 2.453 65 R HA 0.237 4.578 4.340 0.001 0.000 0.233 65 R C -0.312 175.748 176.300 -0.400 0.000 0.895 65 R CA -0.233 55.712 56.100 -0.257 0.000 1.028 65 R CB 0.739 30.755 30.300 -0.474 0.000 1.255 65 R HN -0.014 nan 8.270 nan 0.000 0.571 66 F N 0.211 120.128 119.950 -0.054 0.000 2.618 66 F HA 0.431 4.959 4.527 0.001 0.000 0.332 66 F C -0.138 175.542 175.800 -0.200 0.000 1.061 66 F CA -1.175 56.717 58.000 -0.181 0.000 0.974 66 F CB 1.275 40.034 39.000 -0.402 0.000 1.310 66 F HN -0.311 nan 8.300 nan 0.000 0.491 67 D N -0.086 120.296 120.400 -0.030 0.000 2.350 67 D HA 0.342 4.983 4.640 0.001 0.000 0.245 67 D C -1.557 174.603 176.300 -0.232 0.000 1.036 67 D CA -0.294 53.658 54.000 -0.080 0.000 0.848 67 D CB 1.632 42.432 40.800 0.001 0.000 1.307 67 D HN 0.276 nan 8.370 nan 0.000 0.469 68 Y N 1.320 121.546 120.300 -0.123 0.000 2.331 68 Y HA 0.433 4.984 4.550 0.001 0.000 0.334 68 Y C -0.351 175.408 175.900 -0.234 0.000 0.960 68 Y CA -0.836 57.241 58.100 -0.039 0.000 1.130 68 Y CB 1.042 39.509 38.460 0.012 0.000 1.164 68 Y HN 0.173 nan 8.280 nan 0.000 0.458 69 F N 1.996 122.106 119.950 0.267 0.000 2.450 69 F HA 0.485 5.014 4.527 0.002 0.000 0.332 69 F C 0.127 176.039 175.800 0.188 0.000 1.093 69 F CA -0.797 57.324 58.000 0.202 0.000 1.003 69 F CB 1.623 40.740 39.000 0.195 0.000 1.151 69 F HN 0.395 nan 8.300 nan 0.000 0.474 70 E N 1.865 122.224 120.200 0.265 0.000 2.314 70 E HA 0.800 5.151 4.350 0.001 0.000 0.272 70 E C -1.808 174.841 176.600 0.082 0.000 0.884 70 E CA -0.841 55.642 56.400 0.138 0.000 0.753 70 E CB 2.203 31.938 29.700 0.058 0.000 1.213 70 E HN 0.750 nan 8.360 nan 0.000 0.432 71 A N 3.135 125.948 122.820 -0.011 0.000 2.556 71 A HA 0.660 4.981 4.320 0.001 0.000 0.294 71 A C -1.968 175.508 177.584 -0.180 0.000 1.091 71 A CA -0.715 51.276 52.037 -0.077 0.000 0.704 71 A CB 1.525 20.464 19.000 -0.102 0.000 1.300 71 A HN 0.455 nan 8.150 nan 0.000 0.406 72 L N 1.278 122.396 121.223 -0.175 0.000 2.325 72 L HA 0.712 5.053 4.340 0.001 0.000 0.281 72 L C -1.642 175.060 176.870 -0.280 0.000 1.004 72 L CA -0.452 54.255 54.840 -0.221 0.000 0.823 72 L CB 1.183 43.156 42.059 -0.142 0.000 1.236 72 L HN 0.528 nan 8.230 nan 0.000 0.415 73 L N 4.861 125.835 121.223 -0.415 0.000 2.289 73 L HA 0.466 4.807 4.340 0.001 0.000 0.285 73 L C 0.065 176.745 176.870 -0.316 0.000 1.049 73 L CA -0.140 54.350 54.840 -0.583 0.000 0.804 73 L CB 1.228 42.741 42.059 -0.911 0.000 1.195 73 L HN 0.507 nan 8.230 nan 0.000 0.428 74 E N 2.617 122.746 120.200 -0.119 0.000 2.001 74 E HA 0.206 4.557 4.350 0.001 0.000 0.279 74 E C -0.974 175.664 176.600 0.063 0.000 1.045 74 E CA -0.075 56.327 56.400 0.004 0.000 0.833 74 E CB 0.865 30.609 29.700 0.073 0.000 1.077 74 E HN 0.471 nan 8.360 nan 0.000 0.397 75 C N 2.786 122.080 119.300 -0.010 0.000 2.317 75 C HA 0.137 4.598 4.460 0.001 0.000 0.306 75 C C 1.871 176.855 174.990 -0.009 0.000 1.087 75 C CA -0.670 58.355 59.018 0.012 0.000 1.529 75 C CB -0.849 26.875 27.740 -0.027 0.000 1.880 75 C HN 0.678 nan 8.230 nan 0.000 0.417 76 S N 1.168 116.874 115.700 0.010 0.000 2.419 76 S HA -0.166 4.304 4.470 0.001 0.000 0.233 76 S C 1.548 176.135 174.600 -0.022 0.000 1.016 76 S CA 1.809 60.006 58.200 -0.004 0.000 0.974 76 S CB -0.647 62.557 63.200 0.007 0.000 0.786 76 S HN 0.834 nan 8.310 nan 0.000 0.492 77 T N -0.809 113.733 114.554 -0.020 0.000 3.100 77 T HA 0.265 4.616 4.350 0.001 0.000 0.253 77 T C 0.649 175.260 174.700 -0.150 0.000 1.118 77 T CA 0.213 62.288 62.100 -0.042 0.000 1.058 77 T CB -0.592 68.282 68.868 0.011 0.000 0.953 77 T HN 0.512 nan 8.240 nan 0.000 0.515 78 K N 0.206 120.505 120.400 -0.169 0.000 3.407 78 K HA -0.174 4.146 4.320 0.001 0.000 0.312 78 K C -0.386 175.989 176.600 -0.376 0.000 1.302 78 K CA 0.800 56.896 56.287 -0.318 0.000 0.931 78 K CB -1.408 30.765 32.500 -0.544 0.000 1.257 78 K HN 0.526 nan 8.250 nan 0.000 0.454 79 R N 0.374 120.784 120.500 -0.149 0.000 2.574 79 R HA 0.640 4.981 4.340 0.001 0.000 0.288 79 R C -1.151 175.207 176.300 0.095 0.000 1.004 79 R CA -0.760 55.343 56.100 0.004 0.000 0.895 79 R CB 2.792 33.150 30.300 0.096 0.000 1.191 79 R HN 0.011 nan 8.270 nan 0.000 0.444 80 V N 2.609 122.618 119.914 0.158 0.000 2.969 80 V HA 0.578 4.699 4.120 0.001 0.000 0.304 80 V C -1.757 174.492 176.094 0.259 0.000 1.192 80 V CA -0.749 61.672 62.300 0.202 0.000 0.962 80 V CB 2.348 34.279 31.823 0.180 0.000 1.045 80 V HN 0.832 nan 8.190 nan 0.000 0.428 81 K N 5.373 125.917 120.400 0.239 0.000 2.371 81 K HA 0.870 5.190 4.320 0.001 0.000 0.251 81 K C -1.554 175.200 176.600 0.256 0.000 0.934 81 K CA -0.702 55.675 56.287 0.149 0.000 0.798 81 K CB 2.129 34.640 32.500 0.019 0.000 1.204 81 K HN 0.883 nan 8.250 nan 0.000 0.427 82 Y N -1.757 118.608 120.300 0.108 0.000 2.624 82 Y HA 0.704 5.255 4.550 0.001 0.000 0.334 82 Y C -1.764 174.194 175.900 0.097 0.000 1.155 82 Y CA -1.416 56.732 58.100 0.081 0.000 1.046 82 Y CB 1.285 39.740 38.460 -0.008 0.000 1.316 82 Y HN 0.434 nan 8.280 nan 0.000 0.457 83 V N 2.285 122.310 119.914 0.186 0.000 2.962 83 V HA 0.678 4.798 4.120 0.001 0.000 0.313 83 V C -1.730 174.492 176.094 0.212 0.000 1.099 83 V CA -1.100 61.330 62.300 0.216 0.000 0.971 83 V CB 1.955 33.892 31.823 0.189 0.000 1.028 83 V HN 0.686 nan 8.190 nan 0.000 0.430 84 F N 5.457 125.521 119.950 0.191 0.000 2.399 84 F HA 0.575 5.103 4.527 0.001 0.000 0.334 84 F C 0.030 175.906 175.800 0.127 0.000 1.097 84 F CA -0.800 57.299 58.000 0.165 0.000 1.076 84 F CB 1.648 40.759 39.000 0.184 0.000 1.162 84 F HN 0.253 nan 8.300 nan 0.000 0.495 85 L N 5.959 127.263 121.223 0.135 0.000 2.318 85 L HA 0.523 4.864 4.340 0.001 0.000 0.277 85 L C -1.581 175.246 176.870 -0.070 0.000 1.008 85 L CA -0.365 54.369 54.840 -0.177 0.000 0.846 85 L CB 0.584 42.496 42.059 -0.244 0.000 1.220 85 L HN 0.551 nan 8.230 nan 0.000 0.423 86 L N 4.332 125.523 121.223 -0.053 0.000 2.307 86 L HA 0.583 4.924 4.340 0.001 0.000 0.284 86 L C 0.113 176.934 176.870 -0.082 0.000 1.023 86 L CA -0.394 54.415 54.840 -0.052 0.000 0.810 86 L CB 1.965 44.028 42.059 0.007 0.000 1.231 86 L HN 0.466 nan 8.230 nan 0.000 0.423 87 T N 1.238 115.739 114.554 -0.088 0.000 2.829 87 T HA 0.570 4.921 4.350 0.001 0.000 0.280 87 T C 0.308 174.980 174.700 -0.046 0.000 0.999 87 T CA -0.529 61.535 62.100 -0.061 0.000 0.983 87 T CB 1.904 70.744 68.868 -0.046 0.000 0.968 87 T HN 0.757 nan 8.240 nan 0.000 0.446 88 G N 1.976 110.756 108.800 -0.033 0.000 2.522 88 G HA2 0.461 4.422 3.960 0.001 0.000 0.304 88 G HA3 0.461 4.422 3.960 0.001 0.000 0.304 88 G C -1.757 173.141 174.900 -0.004 0.000 1.210 88 G CA -1.702 43.386 45.100 -0.020 0.000 0.960 88 G HN 0.403 nan 8.290 nan 0.000 0.497 89 P HA -0.046 nan 4.420 nan 0.000 0.223 89 P C 0.998 178.302 177.300 0.006 0.000 1.144 89 P CA 1.043 64.150 63.100 0.011 0.000 0.783 89 P CB 0.313 32.020 31.700 0.012 0.000 0.771 90 Q N -1.761 118.039 119.800 -0.001 0.000 2.189 90 Q HA 0.374 4.715 4.340 0.001 0.000 0.221 90 Q C 1.203 177.202 176.000 -0.001 0.000 0.848 90 Q CA 0.395 56.198 55.803 -0.001 0.000 1.007 90 Q CB -0.340 28.396 28.738 -0.005 0.000 1.116 90 Q HN 0.135 nan 8.270 nan 0.000 0.481 91 G N 0.916 109.714 108.800 -0.002 0.000 2.189 91 G HA2 -0.324 3.637 3.960 0.001 0.000 0.267 91 G HA3 -0.324 3.637 3.960 0.001 0.000 0.267 91 G C 0.056 174.952 174.900 -0.006 0.000 0.975 91 G CA 0.506 45.604 45.100 -0.002 0.000 0.644 91 G HN 0.452 nan 8.290 nan 0.000 0.537 92 E N 0.971 121.166 120.200 -0.009 0.000 2.324 92 E HA 0.573 4.924 4.350 0.001 0.000 0.271 92 E C 0.169 176.758 176.600 -0.019 0.000 1.028 92 E CA 0.288 56.682 56.400 -0.009 0.000 0.890 92 E CB 1.237 30.930 29.700 -0.013 0.000 1.004 92 E HN 1.080 nan 8.360 nan 0.000 0.431 93 A N 3.322 126.135 122.820 -0.012 0.000 2.320 93 A HA 0.682 5.003 4.320 0.001 0.000 0.334 93 A C -0.753 176.819 177.584 -0.020 0.000 1.147 93 A CA -0.592 51.421 52.037 -0.041 0.000 0.820 93 A CB 1.878 20.845 19.000 -0.055 0.000 1.218 93 A HN 0.719 nan 8.150 nan 0.000 0.482 94 V N 1.557 121.432 119.914 -0.064 0.000 3.000 94 V HA 0.571 4.692 4.120 0.001 0.000 0.300 94 V C -2.178 173.934 176.094 0.030 0.000 1.251 94 V CA -0.679 61.654 62.300 0.054 0.000 0.972 94 V CB 1.653 33.534 31.823 0.097 0.000 1.065 94 V HN 0.832 nan 8.190 nan 0.000 0.431 95 Y N 5.367 125.804 120.300 0.228 0.000 2.310 95 Y HA 0.581 5.132 4.550 0.001 0.000 0.326 95 Y C -0.174 175.957 175.900 0.387 0.000 1.151 95 Y CA -0.492 57.767 58.100 0.265 0.000 1.195 95 Y CB 1.596 40.157 38.460 0.168 0.000 1.210 95 Y HN 0.666 nan 8.280 nan 0.000 0.483 96 F N 2.552 122.692 119.950 0.317 0.000 2.477 96 F HA 0.779 5.306 4.527 0.001 0.000 0.335 96 F C -0.028 175.849 175.800 0.129 0.000 1.130 96 F CA -0.412 57.645 58.000 0.094 0.000 0.948 96 F CB 0.881 39.957 39.000 0.127 0.000 1.154 96 F HN 0.618 nan 8.300 nan 0.000 0.439 97 G N 3.757 112.483 108.800 -0.123 0.000 2.866 97 G HA2 0.134 4.095 3.960 0.001 0.000 0.289 97 G HA3 0.134 4.095 3.960 0.001 0.000 0.289 97 G C -0.182 174.129 174.900 -0.982 0.000 1.396 97 G CA -0.533 44.249 45.100 -0.530 0.000 0.848 97 G HN 0.684 nan 8.290 nan 0.000 0.515 98 E N -0.985 118.436 120.200 -1.299 0.000 2.153 98 E HA -0.137 4.213 4.350 0.001 0.000 0.194 98 E C 2.048 178.374 176.600 -0.457 0.000 0.988 98 E CA 1.766 57.544 56.400 -1.037 0.000 0.811 98 E CB 0.017 29.245 29.700 -0.786 0.000 0.746 98 E HN 0.435 nan 8.360 nan 0.000 0.466 99 T N -0.429 113.923 114.554 -0.336 0.000 2.904 99 T HA 0.170 4.521 4.350 0.001 0.000 0.267 99 T C 0.738 175.369 174.700 -0.114 0.000 1.059 99 T CA 0.773 62.767 62.100 -0.176 0.000 1.137 99 T CB 0.342 69.131 68.868 -0.132 0.000 0.879 99 T HN 0.469 nan 8.240 nan 0.000 0.467 100 G N 0.184 108.898 108.800 -0.143 0.000 2.278 100 G HA2 0.261 4.222 3.960 0.001 0.000 0.265 100 G HA3 0.261 4.222 3.960 0.001 0.000 0.265 100 G C -1.716 173.112 174.900 -0.119 0.000 1.329 100 G CA -1.158 43.871 45.100 -0.118 0.000 1.017 100 G HN 0.183 nan 8.290 nan 0.000 0.472 101 F N 0.887 120.913 119.950 0.125 0.000 2.425 101 F HA 0.831 5.359 4.527 0.001 0.000 0.331 101 F C 0.786 176.647 175.800 0.100 0.000 1.085 101 F CA 0.075 58.149 58.000 0.123 0.000 1.028 101 F CB 2.322 41.344 39.000 0.037 0.000 1.177 101 F HN 0.654 nan 8.300 nan 0.000 0.487 102 S N 0.430 116.339 115.700 0.349 0.000 2.565 102 S HA 0.587 5.057 4.470 0.001 0.000 0.274 102 S C 0.078 174.839 174.600 0.268 0.000 1.144 102 S CA -0.061 58.279 58.200 0.233 0.000 0.849 102 S CB 1.226 64.519 63.200 0.155 0.000 1.103 102 S HN 0.811 nan 8.310 nan 0.000 0.455 103 A N 2.009 124.946 122.820 0.196 0.000 2.119 103 A HA 0.268 4.589 4.320 0.001 0.000 0.216 103 A C 0.510 178.248 177.584 0.257 0.000 1.152 103 A CA 0.706 52.875 52.037 0.219 0.000 0.708 103 A CB -0.325 18.754 19.000 0.131 0.000 0.805 103 A HN 0.766 nan 8.150 nan 0.000 0.460 104 E N -0.620 119.661 120.200 0.136 0.000 2.197 104 E HA 0.334 4.685 4.350 0.001 0.000 0.281 104 E C 0.668 177.146 176.600 -0.204 0.000 0.995 104 E CA -0.563 55.825 56.400 -0.020 0.000 0.808 104 E CB 1.407 31.094 29.700 -0.022 0.000 1.093 104 E HN 0.381 nan 8.360 nan 0.000 0.394 105 R N 2.128 122.233 120.500 -0.659 0.000 2.080 105 R HA -0.200 4.141 4.340 0.001 0.000 0.236 105 R C 2.045 178.137 176.300 -0.346 0.000 1.137 105 R CA 2.412 57.940 56.100 -0.953 0.000 0.943 105 R CB -0.187 29.468 30.300 -1.075 0.000 0.846 105 R HN 0.645 nan 8.270 nan 0.000 0.431 106 S N 0.610 116.166 115.700 -0.240 0.000 2.365 106 S HA -0.188 4.283 4.470 0.001 0.000 0.225 106 S C 1.771 176.313 174.600 -0.096 0.000 1.039 106 S CA 1.569 59.685 58.200 -0.139 0.000 1.033 106 S CB -0.330 62.807 63.200 -0.106 0.000 0.887 106 S HN 0.392 nan 8.310 nan 0.000 0.447 107 K N 1.444 121.802 120.400 -0.071 0.000 2.442 107 K HA 0.227 4.548 4.320 0.001 0.000 0.198 107 K C 2.119 178.710 176.600 -0.016 0.000 1.042 107 K CA 0.687 56.955 56.287 -0.032 0.000 0.958 107 K CB -0.334 32.164 32.500 -0.003 0.000 0.766 107 K HN 0.538 nan 8.250 nan 0.000 0.474 108 A N 1.171 123.985 122.820 -0.010 0.000 2.067 108 A HA 0.195 4.516 4.320 0.001 0.000 0.217 108 A C 1.061 178.595 177.584 -0.084 0.000 1.156 108 A CA 0.939 52.989 52.037 0.022 0.000 0.683 108 A CB -0.399 18.687 19.000 0.143 0.000 0.808 108 A HN 0.380 nan 8.150 nan 0.000 0.455 109 G N -2.115 106.620 108.800 -0.109 0.000 2.725 109 G HA2 0.092 4.053 3.960 0.001 0.000 0.220 109 G HA3 0.092 4.053 3.960 0.001 0.000 0.220 109 G C -0.408 174.367 174.900 -0.209 0.000 1.357 109 G CA -0.135 44.862 45.100 -0.172 0.000 0.866 109 G HN 1.485 nan 8.290 nan 0.000 0.548 110 V N -0.065 119.682 119.914 -0.277 0.000 2.808 110 V HA 0.702 4.823 4.120 0.001 0.000 0.308 110 V C -0.275 175.570 176.094 -0.415 0.000 1.099 110 V CA -1.009 61.120 62.300 -0.286 0.000 0.920 110 V CB 1.530 33.252 31.823 -0.168 0.000 1.014 110 V HN 0.936 nan 8.190 nan 0.000 0.425 111 F N 3.962 123.624 119.950 -0.481 0.000 2.410 111 F HA 0.546 5.073 4.527 0.001 0.000 0.334 111 F C 0.730 176.199 175.800 -0.552 0.000 1.134 111 F CA 0.265 57.925 58.000 -0.566 0.000 1.227 111 F CB 1.091 39.577 39.000 -0.856 0.000 1.194 111 F HN 0.411 nan 8.300 nan 0.000 0.571 112 Q N 1.988 121.777 119.800 -0.019 0.000 2.285 112 Q HA 0.211 4.552 4.340 0.001 0.000 0.269 112 Q C -1.817 174.308 176.000 0.209 0.000 1.030 112 Q CA -0.845 54.995 55.803 0.062 0.000 0.788 112 Q CB 2.647 31.380 28.738 -0.008 0.000 1.266 112 Q HN 0.597 nan 8.270 nan 0.000 0.438 113 Y N 1.552 121.974 120.300 0.203 0.000 2.854 113 Y HA 0.373 4.924 4.550 0.001 0.000 0.330 113 Y C 0.948 176.939 175.900 0.152 0.000 1.037 113 Y CA -0.191 58.022 58.100 0.188 0.000 1.263 113 Y CB 0.290 38.867 38.460 0.196 0.000 1.120 113 Y HN 0.954 nan 8.280 nan 0.000 0.532 114 A N 4.429 127.237 122.820 -0.020 0.000 1.923 114 A HA -0.258 4.063 4.320 0.001 0.000 0.222 114 A C -0.171 177.557 177.584 0.241 0.000 1.258 114 A CA 2.377 54.462 52.037 0.081 0.000 0.670 114 A CB -0.633 18.393 19.000 0.042 0.000 0.834 114 A HN 0.715 nan 8.150 nan 0.000 0.470 115 Y N -2.937 117.420 120.300 0.094 0.000 2.573 115 Y HA 0.511 5.062 4.550 0.001 0.000 0.328 115 Y C -1.406 174.689 175.900 0.325 0.000 1.170 115 Y CA -1.165 57.049 58.100 0.190 0.000 1.078 115 Y CB 1.154 39.714 38.460 0.166 0.000 1.341 115 Y HN 0.136 nan 8.280 nan 0.000 0.459 116 I N 5.777 126.522 120.570 0.292 0.000 2.359 116 I HA 0.302 4.473 4.170 0.001 0.000 0.284 116 I C -0.967 175.411 176.117 0.435 0.000 1.018 116 I CA -0.646 60.907 61.300 0.421 0.000 1.173 116 I CB 0.655 38.771 38.000 0.193 0.000 1.326 116 I HN 0.553 nan 8.210 nan 0.000 0.462 117 H N 4.611 123.890 119.070 0.348 0.000 2.481 117 H HA 0.282 4.839 4.556 0.001 0.000 0.339 117 H C 1.182 176.615 175.328 0.175 0.000 1.131 117 H CA -0.897 55.312 56.048 0.267 0.000 1.301 117 H CB 1.089 30.956 29.762 0.174 0.000 1.476 117 H HN 0.480 nan 8.280 nan 0.000 0.529 118 R N 0.631 121.278 120.500 0.245 0.000 2.120 118 R HA -0.140 4.201 4.340 0.001 0.000 0.234 118 R C 1.338 177.727 176.300 0.149 0.000 1.123 118 R CA 1.681 57.879 56.100 0.163 0.000 0.975 118 R CB -0.359 30.011 30.300 0.117 0.000 0.866 118 R HN 0.559 nan 8.270 nan 0.000 0.446 119 S N 0.556 116.350 115.700 0.157 0.000 2.474 119 S HA -0.069 4.402 4.470 0.001 0.000 0.235 119 S C 1.233 175.886 174.600 0.087 0.000 0.997 119 S CA 0.914 59.176 58.200 0.104 0.000 0.949 119 S CB 0.031 63.280 63.200 0.082 0.000 0.766 119 S HN 0.546 nan 8.310 nan 0.000 0.517 120 E N 0.933 121.208 120.200 0.125 0.000 2.463 120 E HA 0.171 4.522 4.350 0.001 0.000 0.193 120 E C -0.732 175.948 176.600 0.132 0.000 1.041 120 E CA -0.188 56.274 56.400 0.104 0.000 0.879 120 E CB 0.719 30.493 29.700 0.123 0.000 0.997 120 E HN 0.380 nan 8.360 nan 0.000 0.478 121 V N 2.008 122.009 119.914 0.145 0.000 2.427 121 V HA 0.076 4.197 4.120 0.001 0.000 0.268 121 V C 0.192 176.409 176.094 0.204 0.000 1.046 121 V CA -0.306 62.095 62.300 0.169 0.000 0.970 121 V CB -0.186 31.720 31.823 0.138 0.000 1.001 121 V HN 0.164 nan 8.190 nan 0.000 0.476 122 F N 4.054 124.028 119.950 0.041 0.000 2.569 122 F HA 0.063 4.591 4.527 0.001 0.000 0.395 122 F C 0.733 176.530 175.800 -0.005 0.000 1.028 122 F CA 0.461 58.462 58.000 0.001 0.000 1.158 122 F CB 0.365 39.339 39.000 -0.045 0.000 1.023 122 F HN 0.534 nan 8.300 nan 0.000 0.547 123 T N 3.645 118.445 114.554 0.409 0.000 2.840 123 T HA 0.344 4.695 4.350 0.001 0.000 0.287 123 T C -0.188 174.602 174.700 0.150 0.000 0.991 123 T CA -0.748 61.464 62.100 0.186 0.000 0.964 123 T CB 1.431 70.369 68.868 0.116 0.000 0.954 123 T HN 0.637 nan 8.240 nan 0.000 0.438 124 T N 0.733 115.302 114.554 0.025 0.000 2.932 124 T HA 0.692 5.043 4.350 0.001 0.000 0.289 124 T C -3.015 171.626 174.700 -0.099 0.000 1.039 124 T CA -2.694 59.386 62.100 -0.033 0.000 1.024 124 T CB 1.004 69.800 68.868 -0.120 0.000 1.090 124 T HN 0.124 nan 8.240 nan 0.000 0.496 125 P HA 0.123 nan 4.420 nan 0.000 0.261 125 P C 0.896 178.000 177.300 -0.327 0.000 1.183 125 P CA -0.010 62.937 63.100 -0.255 0.000 0.761 125 P CB 0.460 31.871 31.700 -0.481 0.000 0.785 126 E N 3.019 123.135 120.200 -0.140 0.000 2.085 126 E HA -0.177 4.174 4.350 0.001 0.000 0.194 126 E C 1.791 178.348 176.600 -0.072 0.000 0.994 126 E CA 1.456 57.809 56.400 -0.078 0.000 0.801 126 E CB -0.375 29.336 29.700 0.018 0.000 0.743 126 E HN 0.723 nan 8.360 nan 0.000 0.453 127 W N 0.453 121.747 121.300 -0.010 0.000 2.465 127 W HA 0.116 4.777 4.660 0.002 0.000 0.268 127 W C 1.674 178.187 176.519 -0.009 0.000 1.242 127 W CA 0.861 58.197 57.345 -0.015 0.000 1.248 127 W CB -0.727 28.721 29.460 -0.019 0.000 1.118 127 W HN -0.043 nan 8.180 nan 0.000 0.587 128 A N 1.681 123.968 122.820 -0.889 0.000 2.014 128 A HA -0.112 4.209 4.320 0.001 0.000 0.218 128 A C 2.078 179.472 177.584 -0.318 0.000 1.163 128 A CA 1.439 53.017 52.037 -0.765 0.000 0.652 128 A CB -0.553 17.915 19.000 -0.887 0.000 0.808 128 A HN 0.307 nan 8.150 nan 0.000 0.449 129 K N 0.265 120.521 120.400 -0.239 0.000 2.211 129 K HA -0.110 4.210 4.320 0.001 0.000 0.203 129 K C 0.661 177.199 176.600 -0.104 0.000 1.050 129 K CA 1.421 57.612 56.287 -0.159 0.000 0.945 129 K CB 0.042 32.464 32.500 -0.130 0.000 0.732 129 K HN 0.792 nan 8.250 nan 0.000 0.451 130 E N -0.053 120.122 120.200 -0.043 0.000 3.385 130 E HA 0.354 4.705 4.350 0.001 0.000 0.206 130 E C -0.820 175.840 176.600 0.100 0.000 0.997 130 E CA -0.489 55.923 56.400 0.019 0.000 1.278 130 E CB 1.006 30.744 29.700 0.063 0.000 1.165 130 E HN 0.055 nan 8.360 nan 0.000 0.452 131 A N 0.506 123.350 122.820 0.040 0.000 2.281 131 A HA 0.689 5.009 4.320 0.001 0.000 0.329 131 A C -0.485 177.084 177.584 -0.025 0.000 1.122 131 A CA -0.693 51.403 52.037 0.099 0.000 0.850 131 A CB 1.739 20.837 19.000 0.163 0.000 1.207 131 A HN 0.154 nan 8.150 nan 0.000 0.495 132 V N 1.700 121.610 119.914 -0.007 0.000 2.488 132 V HA 0.316 4.437 4.120 0.001 0.000 0.293 132 V C -0.904 175.141 176.094 -0.081 0.000 1.027 132 V CA 0.012 62.260 62.300 -0.087 0.000 0.862 132 V CB 1.082 32.871 31.823 -0.057 0.000 1.008 132 V HN 0.710 nan 8.190 nan 0.000 0.428 133 I N 4.579 125.023 120.570 -0.210 0.000 2.428 133 I HA 0.416 4.586 4.170 0.001 0.000 0.296 133 I C -0.819 175.246 176.117 -0.086 0.000 0.985 133 I CA -0.558 60.610 61.300 -0.220 0.000 1.260 133 I CB 1.384 39.015 38.000 -0.616 0.000 1.389 133 I HN 0.590 nan 8.210 nan 0.000 0.484 134 Y N 5.461 125.684 120.300 -0.129 0.000 2.356 134 Y HA 0.320 4.870 4.550 0.001 0.000 0.334 134 Y C 0.006 175.861 175.900 -0.076 0.000 0.958 134 Y CA -0.570 57.482 58.100 -0.081 0.000 1.196 134 Y CB 1.031 39.429 38.460 -0.105 0.000 1.137 134 Y HN 0.520 nan 8.280 nan 0.000 0.485 135 Q N 6.490 126.171 119.800 -0.199 0.000 2.296 135 Q HA 0.306 4.647 4.340 0.001 0.000 0.263 135 Q C -1.177 174.706 176.000 -0.196 0.000 1.026 135 Q CA -0.301 55.506 55.803 0.007 0.000 0.912 135 Q CB 0.465 29.385 28.738 0.304 0.000 1.198 135 Q HN 0.606 nan 8.270 nan 0.000 0.407 136 I N 5.082 125.433 120.570 -0.365 0.000 2.359 136 I HA 0.208 4.379 4.170 0.001 0.000 0.294 136 I C -0.587 175.375 176.117 -0.258 0.000 0.987 136 I CA -0.483 60.537 61.300 -0.466 0.000 1.225 136 I CB 0.987 38.421 38.000 -0.945 0.000 1.366 136 I HN 0.725 nan 8.210 nan 0.000 0.466 137 F N 9.179 128.906 119.950 -0.372 0.000 2.309 137 F HA 0.323 4.850 4.527 0.001 0.000 0.366 137 F C -1.200 174.517 175.800 -0.138 0.000 1.104 137 F CA -1.770 56.113 58.000 -0.196 0.000 1.179 137 F CB 0.992 39.945 39.000 -0.077 0.000 1.437 137 F HN 0.356 nan 8.300 nan 0.000 0.528 138 P HA -0.328 nan 4.420 nan 0.000 0.221 138 P C 1.247 178.528 177.300 -0.032 0.000 1.160 138 P CA 1.675 64.630 63.100 -0.243 0.000 0.933 138 P CB 0.234 31.409 31.700 -0.875 0.000 0.793 139 E N -0.827 119.363 120.200 -0.018 0.000 2.331 139 E HA -0.159 4.191 4.350 0.001 0.000 0.199 139 E C 1.514 178.328 176.600 0.357 0.000 1.008 139 E CA 0.868 57.459 56.400 0.318 0.000 0.843 139 E CB -0.078 29.819 29.700 0.328 0.000 0.761 139 E HN 0.115 nan 8.360 nan 0.000 0.507 140 R N -1.922 118.735 120.500 0.261 0.000 2.549 140 R HA 0.192 4.533 4.340 0.001 0.000 0.344 140 R C 1.190 177.639 176.300 0.248 0.000 0.979 140 R CA -0.197 56.038 56.100 0.225 0.000 1.140 140 R CB -0.112 30.302 30.300 0.189 0.000 1.377 140 R HN 0.070 nan 8.270 nan 0.000 0.541 141 F N 0.046 120.065 119.950 0.115 0.000 2.123 141 F HA 0.403 4.931 4.527 0.001 0.000 0.289 141 F C 0.234 176.382 175.800 0.580 0.000 1.099 141 F CA 0.677 58.784 58.000 0.178 0.000 1.234 141 F CB 0.453 39.494 39.000 0.069 0.000 1.034 141 F HN -0.050 nan 8.300 nan 0.000 0.479 142 A N 0.472 123.466 122.820 0.291 0.000 2.532 142 A HA 0.376 4.697 4.320 0.001 0.000 0.296 142 A C -1.729 175.764 177.584 -0.152 0.000 1.058 142 A CA -0.648 51.321 52.037 -0.114 0.000 0.729 142 A CB 0.489 19.284 19.000 -0.341 0.000 1.285 142 A HN 0.187 nan 8.150 nan 0.000 0.396 143 N N 1.737 120.172 118.700 -0.442 0.000 2.678 143 N HA 0.407 5.147 4.740 0.001 0.000 0.231 143 N C 1.008 176.374 175.510 -0.241 0.000 1.038 143 N CA 0.448 53.355 53.050 -0.239 0.000 0.932 143 N CB 1.175 39.524 38.487 -0.230 0.000 1.176 143 N HN 0.753 nan 8.380 nan 0.000 0.511 144 G N 1.180 109.891 108.800 -0.149 0.000 2.683 144 G HA2 -0.070 3.891 3.960 0.001 0.000 0.213 144 G HA3 -0.070 3.891 3.960 0.001 0.000 0.213 144 G C 0.010 174.852 174.900 -0.097 0.000 1.142 144 G CA 0.054 45.067 45.100 -0.146 0.000 0.793 144 G HN 0.527 nan 8.290 nan 0.000 0.534 145 D N -0.663 119.700 120.400 -0.062 0.000 2.389 145 D HA 0.360 5.001 4.640 0.001 0.000 0.256 145 D C -1.946 174.332 176.300 -0.036 0.000 1.239 145 D CA -2.104 51.871 54.000 -0.042 0.000 0.925 145 D CB 2.054 42.843 40.800 -0.018 0.000 1.145 145 D HN -0.106 nan 8.370 nan 0.000 0.542 146 P HA -0.093 nan 4.420 nan 0.000 0.222 146 P C 1.257 178.538 177.300 -0.032 0.000 1.147 146 P CA 0.797 63.877 63.100 -0.033 0.000 0.790 146 P CB 0.232 31.911 31.700 -0.035 0.000 0.780 147 S N -0.064 115.617 115.700 -0.032 0.000 2.481 147 S HA -0.103 4.368 4.470 0.001 0.000 0.231 147 S C 1.492 176.067 174.600 -0.041 0.000 0.996 147 S CA 0.998 59.179 58.200 -0.032 0.000 0.942 147 S CB -1.267 61.917 63.200 -0.026 0.000 0.768 147 S HN 0.209 nan 8.310 nan 0.000 0.520 148 N N 0.774 119.447 118.700 -0.044 0.000 2.230 148 N HA 0.135 4.876 4.740 0.001 0.000 0.202 148 N C -1.081 174.364 175.510 -0.109 0.000 1.119 148 N CA -0.298 52.714 53.050 -0.064 0.000 0.851 148 N CB -0.475 37.987 38.487 -0.043 0.000 0.990 148 N HN 0.124 nan 8.380 nan 0.000 0.497 149 D N 1.787 122.128 120.400 -0.097 0.000 2.423 149 D HA 0.165 4.806 4.640 0.001 0.000 0.238 149 D C -2.130 174.029 176.300 -0.235 0.000 1.142 149 D CA -0.763 53.150 54.000 -0.146 0.000 0.884 149 D CB 0.333 41.089 40.800 -0.073 0.000 1.199 149 D HN 0.210 nan 8.370 nan 0.000 0.438 150 P HA 0.217 nan 4.420 nan 0.000 0.274 150 P C -2.521 174.634 177.300 -0.241 0.000 1.231 150 P CA -1.077 61.726 63.100 -0.496 0.000 0.790 150 P CB 0.127 31.065 31.700 -1.269 0.000 0.951 151 P HA 0.092 nan 4.420 nan 0.000 0.265 151 P C 0.756 178.083 177.300 0.044 0.000 1.193 151 P CA 1.132 64.222 63.100 -0.018 0.000 0.765 151 P CB 0.100 31.807 31.700 0.012 0.000 0.823 152 G N 1.327 110.151 108.800 0.040 0.000 2.136 152 G HA2 -0.218 3.742 3.960 0.001 0.000 0.242 152 G HA3 -0.218 3.742 3.960 0.001 0.000 0.242 152 G C 0.286 175.224 174.900 0.062 0.000 0.989 152 G CA -0.109 45.029 45.100 0.064 0.000 0.682 152 G HN 0.581 nan 8.290 nan 0.000 0.522 153 T N 1.265 115.837 114.554 0.031 0.000 2.928 153 T HA 0.377 4.728 4.350 0.001 0.000 0.305 153 T C 0.672 175.357 174.700 -0.026 0.000 1.035 153 T CA 0.544 62.652 62.100 0.013 0.000 1.145 153 T CB 1.083 69.954 68.868 0.006 0.000 0.963 153 T HN 0.493 nan 8.240 nan 0.000 0.545 154 E N 1.750 121.861 120.200 -0.147 0.000 2.280 154 E HA 0.190 4.541 4.350 0.001 0.000 0.264 154 E C 0.076 176.676 176.600 -0.000 0.000 1.064 154 E CA -0.991 55.318 56.400 -0.152 0.000 0.900 154 E CB 0.587 30.078 29.700 -0.349 0.000 1.123 154 E HN 0.455 nan 8.360 nan 0.000 0.418 155 Q N 1.021 120.872 119.800 0.085 0.000 2.361 155 Q HA -0.045 4.296 4.340 0.001 0.000 0.276 155 Q C -0.650 175.560 176.000 0.351 0.000 1.022 155 Q CA 0.358 56.279 55.803 0.197 0.000 0.898 155 Q CB 0.529 29.353 28.738 0.145 0.000 1.246 155 Q HN 0.543 nan 8.270 nan 0.000 0.410 156 W N 2.867 124.294 121.300 0.212 0.000 2.365 156 W HA 0.465 5.125 4.660 0.001 0.000 0.371 156 W C -1.213 175.393 176.519 0.144 0.000 1.006 156 W CA -0.397 57.094 57.345 0.243 0.000 1.528 156 W CB 0.163 29.737 29.460 0.190 0.000 1.497 156 W HN 0.536 nan 8.180 nan 0.000 0.367 157 A N 4.681 127.591 122.820 0.151 0.000 2.515 157 A HA 0.312 4.632 4.320 0.001 0.000 0.296 157 A C 0.865 178.446 177.584 -0.005 0.000 1.094 157 A CA -0.671 51.437 52.037 0.118 0.000 0.718 157 A CB 1.880 20.950 19.000 0.116 0.000 1.307 157 A HN 0.586 nan 8.150 nan 0.000 0.408 158 K N 0.062 120.470 120.400 0.014 0.000 2.063 158 K HA -0.210 4.111 4.320 0.001 0.000 0.208 158 K C 0.747 177.322 176.600 -0.041 0.000 1.048 158 K CA 2.450 58.716 56.287 -0.035 0.000 0.928 158 K CB -0.202 32.289 32.500 -0.014 0.000 0.713 158 K HN 0.812 nan 8.250 nan 0.000 0.442 159 D N 0.516 120.911 120.400 -0.009 0.000 2.378 159 D HA -0.016 4.625 4.640 0.001 0.000 0.222 159 D C 0.232 176.533 176.300 0.001 0.000 0.980 159 D CA 0.405 54.402 54.000 -0.004 0.000 0.907 159 D CB -0.141 40.666 40.800 0.012 0.000 0.899 159 D HN 0.256 nan 8.370 nan 0.000 0.527 160 A N 1.049 123.869 122.820 -0.000 0.000 2.511 160 A HA 0.287 4.608 4.320 0.001 0.000 0.242 160 A C 0.376 177.966 177.584 0.009 0.000 1.069 160 A CA -0.223 51.839 52.037 0.041 0.000 0.763 160 A CB 0.307 19.367 19.000 0.101 0.000 1.001 160 A HN 0.022 nan 8.150 nan 0.000 0.498 161 R N 2.912 123.444 120.500 0.053 0.000 2.415 161 R HA 0.305 4.646 4.340 0.001 0.000 0.292 161 R C -2.912 173.432 176.300 0.075 0.000 1.295 161 R CA -1.673 54.445 56.100 0.030 0.000 1.137 161 R CB 0.601 30.909 30.300 0.013 0.000 1.135 161 R HN 0.510 nan 8.270 nan 0.000 0.560 162 P HA -0.007 nan 4.420 nan 0.000 0.266 162 P C -0.157 177.181 177.300 0.064 0.000 1.186 162 P CA 0.355 63.561 63.100 0.177 0.000 0.767 162 P CB 0.722 32.518 31.700 0.160 0.000 0.820 163 R N 0.874 121.411 120.500 0.063 0.000 2.919 163 R HA 0.321 4.662 4.340 0.001 0.000 0.260 163 R C 1.444 177.744 176.300 0.000 0.000 1.067 163 R CA -0.871 55.226 56.100 -0.006 0.000 1.003 163 R CB 0.681 31.003 30.300 0.036 0.000 1.192 163 R HN 0.555 nan 8.270 nan 0.000 0.488 164 H N 1.327 120.436 119.070 0.065 0.000 2.431 164 H HA -0.154 4.403 4.556 0.001 0.000 0.297 164 H C 0.593 175.956 175.328 0.058 0.000 1.115 164 H CA 2.014 58.102 56.048 0.066 0.000 1.277 164 H CB 0.212 29.996 29.762 0.037 0.000 1.372 164 H HN 0.598 nan 8.280 nan 0.000 0.516 165 D N -0.428 120.056 120.400 0.140 0.000 2.402 165 D HA 0.049 4.690 4.640 0.001 0.000 0.216 165 D C 0.433 176.721 176.300 -0.020 0.000 1.128 165 D CA -0.120 53.933 54.000 0.087 0.000 0.833 165 D CB 0.021 40.851 40.800 0.051 0.000 0.971 165 D HN -0.116 nan 8.370 nan 0.000 0.503 166 S N -0.018 115.677 115.700 -0.010 0.000 2.584 166 S HA 0.395 4.866 4.470 0.001 0.000 0.270 166 S C -0.430 174.086 174.600 -0.140 0.000 1.346 166 S CA 0.050 58.221 58.200 -0.049 0.000 1.018 166 S CB 0.523 63.789 63.200 0.110 0.000 0.899 166 S HN 0.244 nan 8.310 nan 0.000 0.542 167 F N 0.251 120.104 119.950 -0.162 0.000 2.619 167 F HA 0.378 4.906 4.527 0.001 0.000 0.308 167 F C -0.582 175.047 175.800 -0.286 0.000 1.097 167 F CA -0.707 57.232 58.000 -0.101 0.000 0.953 167 F CB 1.778 40.697 39.000 -0.135 0.000 1.287 167 F HN 0.635 nan 8.300 nan 0.000 0.446 168 Y N 0.041 120.557 120.300 0.360 0.000 2.590 168 Y HA 0.267 4.818 4.550 0.001 0.000 0.263 168 Y C 1.240 177.392 175.900 0.420 0.000 1.069 168 Y CA 0.235 58.539 58.100 0.340 0.000 1.242 168 Y CB 1.536 40.119 38.460 0.205 0.000 1.357 168 Y HN 0.773 nan 8.280 nan 0.000 0.556 169 G N 0.806 109.840 108.800 0.391 0.000 2.143 169 G HA2 -0.229 3.731 3.960 0.001 0.000 0.249 169 G HA3 -0.229 3.731 3.960 0.001 0.000 0.249 169 G C 0.688 175.768 174.900 0.300 0.000 0.981 169 G CA -0.080 45.161 45.100 0.235 0.000 0.665 169 G HN 0.691 nan 8.290 nan 0.000 0.528 170 G N 0.228 109.311 108.800 0.472 0.000 2.414 170 G HA2 0.549 4.510 3.960 0.001 0.000 0.236 170 G HA3 0.549 4.510 3.960 0.001 0.000 0.236 170 G C 0.040 175.156 174.900 0.359 0.000 1.293 170 G CA 0.952 46.300 45.100 0.414 0.000 0.869 170 G HN 1.203 nan 8.290 nan 0.000 0.556 171 D N -0.067 120.487 120.400 0.257 0.000 2.665 171 D HA 0.179 4.820 4.640 0.001 0.000 0.287 171 D C 1.128 177.517 176.300 0.148 0.000 1.266 171 D CA -0.939 53.217 54.000 0.260 0.000 0.830 171 D CB 0.438 41.364 40.800 0.209 0.000 1.356 171 D HN 0.180 nan 8.370 nan 0.000 0.437 172 L N -0.722 120.563 121.223 0.103 0.000 2.079 172 L HA -0.135 4.206 4.340 0.001 0.000 0.210 172 L C 2.303 179.212 176.870 0.065 0.000 1.081 172 L CA 1.418 56.290 54.840 0.054 0.000 0.752 172 L CB -0.543 41.538 42.059 0.038 0.000 0.896 172 L HN 0.479 nan 8.230 nan 0.000 0.433 173 K N 0.808 121.239 120.400 0.051 0.000 2.103 173 K HA -0.129 4.192 4.320 0.001 0.000 0.207 173 K C 1.979 178.573 176.600 -0.009 0.000 1.048 173 K CA 1.553 57.847 56.287 0.011 0.000 0.930 173 K CB -0.627 31.870 32.500 -0.004 0.000 0.716 173 K HN 0.222 nan 8.250 nan 0.000 0.444 174 G N 0.043 108.847 108.800 0.006 0.000 2.421 174 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 174 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 174 G C 1.503 176.428 174.900 0.042 0.000 1.171 174 G CA 1.115 46.185 45.100 -0.050 0.000 0.775 174 G HN 0.200 nan 8.290 nan 0.000 0.543 175 V N 1.426 121.475 119.914 0.224 0.000 2.332 175 V HA -0.216 3.905 4.120 0.001 0.000 0.248 175 V C 2.780 178.975 176.094 0.169 0.000 1.055 175 V CA 1.630 64.142 62.300 0.354 0.000 1.038 175 V CB -0.519 31.514 31.823 0.348 0.000 0.651 175 V HN 0.405 nan 8.190 nan 0.000 0.450 176 I N 0.372 120.983 120.570 0.069 0.000 2.163 176 I HA -0.241 3.930 4.170 0.001 0.000 0.243 176 I C 2.316 178.415 176.117 -0.029 0.000 1.085 176 I CA 1.791 63.094 61.300 0.006 0.000 1.347 176 I CB -0.638 37.348 38.000 -0.023 0.000 1.044 176 I HN 0.311 nan 8.210 nan 0.000 0.408 177 D N 0.698 121.052 120.400 -0.077 0.000 2.221 177 D HA -0.135 4.506 4.640 0.001 0.000 0.204 177 D C 1.943 178.135 176.300 -0.180 0.000 0.982 177 D CA 0.964 54.877 54.000 -0.146 0.000 0.857 177 D CB -0.191 40.478 40.800 -0.220 0.000 0.934 177 D HN 0.242 nan 8.370 nan 0.000 0.475 178 R N 0.101 120.510 120.500 -0.152 0.000 2.334 178 R HA 0.222 4.563 4.340 0.001 0.000 0.216 178 R C 2.104 178.469 176.300 0.108 0.000 0.905 178 R CA -0.207 55.814 56.100 -0.132 0.000 1.064 178 R CB -0.303 29.828 30.300 -0.280 0.000 1.046 178 R HN 0.278 nan 8.270 nan 0.000 0.508 179 L N 1.052 122.319 121.223 0.073 0.000 2.129 179 L HA -0.161 4.180 4.340 0.001 0.000 0.212 179 L C -0.703 176.212 176.870 0.075 0.000 1.087 179 L CA 1.706 56.590 54.840 0.073 0.000 0.757 179 L CB -1.185 40.886 42.059 0.020 0.000 0.896 179 L HN 0.067 nan 8.230 nan 0.000 0.434 180 P HA -0.218 nan 4.420 nan 0.000 0.217 180 P C 1.273 178.660 177.300 0.145 0.000 1.150 180 P CA 1.180 64.324 63.100 0.073 0.000 0.832 180 P CB -0.041 31.686 31.700 0.046 0.000 0.787 181 Y N 0.408 120.748 120.300 0.066 0.000 2.114 181 Y HA -0.209 4.342 4.550 0.001 0.000 0.284 181 Y C 1.922 177.925 175.900 0.171 0.000 1.143 181 Y CA 1.512 59.706 58.100 0.156 0.000 1.135 181 Y CB -1.082 37.511 38.460 0.222 0.000 0.980 181 Y HN -0.245 nan 8.280 nan 0.000 0.499 182 L N 1.004 122.304 121.223 0.129 0.000 2.042 182 L HA -0.223 4.118 4.340 0.001 0.000 0.210 182 L C 2.507 179.312 176.870 -0.108 0.000 1.076 182 L CA 2.126 56.896 54.840 -0.116 0.000 0.749 182 L CB -1.680 40.312 42.059 -0.112 0.000 0.893 182 L HN 0.441 nan 8.230 nan 0.000 0.432 183 E N -0.122 120.058 120.200 -0.032 0.000 2.085 183 E HA -0.268 4.083 4.350 0.001 0.000 0.194 183 E C 2.100 178.676 176.600 -0.040 0.000 0.994 183 E CA 1.367 57.746 56.400 -0.033 0.000 0.801 183 E CB 0.089 29.783 29.700 -0.012 0.000 0.743 183 E HN 0.516 nan 8.360 nan 0.000 0.453 184 E N 0.248 120.438 120.200 -0.018 0.000 2.077 184 E HA -0.215 4.136 4.350 0.001 0.000 0.193 184 E C 2.272 178.810 176.600 -0.103 0.000 0.989 184 E CA 0.918 57.315 56.400 -0.005 0.000 0.800 184 E CB -0.089 29.675 29.700 0.107 0.000 0.746 184 E HN 0.232 nan 8.360 nan 0.000 0.452 185 L N -0.093 121.015 121.223 -0.190 0.000 2.083 185 L HA -0.036 4.305 4.340 0.001 0.000 0.209 185 L C 1.555 178.307 176.870 -0.196 0.000 1.083 185 L CA 2.520 57.153 54.840 -0.346 0.000 0.752 185 L CB -0.228 41.624 42.059 -0.346 0.000 0.899 185 L HN 0.355 nan 8.230 nan 0.000 0.433 186 G N -1.532 107.203 108.800 -0.108 0.000 2.175 186 G HA2 -0.164 3.797 3.960 0.001 0.000 0.182 186 G HA3 -0.164 3.797 3.960 0.001 0.000 0.182 186 G C 0.266 175.187 174.900 0.035 0.000 1.003 186 G CA 0.132 45.220 45.100 -0.019 0.000 0.666 186 G HN 0.874 nan 8.290 nan 0.000 0.506 187 V N -0.324 119.582 119.914 -0.014 0.000 2.843 187 V HA 0.710 4.831 4.120 0.001 0.000 0.305 187 V C 1.224 177.324 176.094 0.010 0.000 1.065 187 V CA 1.289 63.597 62.300 0.013 0.000 1.116 187 V CB 1.297 33.113 31.823 -0.012 0.000 0.968 187 V HN 1.061 nan 8.190 nan 0.000 0.487 188 T N -0.371 114.203 114.554 0.033 0.000 3.040 188 T HA 0.740 5.091 4.350 0.001 0.000 0.266 188 T C 0.240 174.932 174.700 -0.014 0.000 1.005 188 T CA 0.343 62.451 62.100 0.012 0.000 0.906 188 T CB 0.057 68.965 68.868 0.067 0.000 1.082 188 T HN 1.944 nan 8.240 nan 0.000 0.531 189 A N 0.920 123.742 122.820 0.002 0.000 2.599 189 A HA 0.693 5.014 4.320 0.001 0.000 0.294 189 A C -1.947 175.641 177.584 0.006 0.000 1.055 189 A CA -0.976 51.063 52.037 0.003 0.000 0.683 189 A CB 0.874 19.929 19.000 0.092 0.000 1.278 189 A HN 0.343 nan 8.150 nan 0.000 0.412 190 L N 1.419 122.645 121.223 0.004 0.000 2.365 190 L HA 0.559 4.900 4.340 0.001 0.000 0.273 190 L C -1.106 175.763 176.870 -0.001 0.000 1.000 190 L CA -0.779 54.016 54.840 -0.075 0.000 0.819 190 L CB 1.966 43.880 42.059 -0.242 0.000 1.284 190 L HN 0.822 nan 8.230 nan 0.000 0.418 191 Y N 3.061 123.253 120.300 -0.180 0.000 2.328 191 Y HA 0.576 5.127 4.550 0.001 0.000 0.337 191 Y C -1.420 174.353 175.900 -0.212 0.000 0.966 191 Y CA -1.151 56.933 58.100 -0.027 0.000 1.136 191 Y CB 1.010 39.559 38.460 0.148 0.000 1.170 191 Y HN 0.273 nan 8.280 nan 0.000 0.470 192 F N 4.224 123.916 119.950 -0.429 0.000 2.443 192 F HA 0.420 4.947 4.527 0.001 0.000 0.335 192 F C 0.956 176.272 175.800 -0.805 0.000 1.104 192 F CA -0.480 57.187 58.000 -0.556 0.000 1.013 192 F CB 1.669 40.486 39.000 -0.305 0.000 1.136 192 F HN 0.639 nan 8.300 nan 0.000 0.470 193 T N 0.577 114.834 114.554 -0.496 0.000 2.715 193 T HA 0.314 4.664 4.350 0.001 0.000 0.320 193 T C -2.560 171.987 174.700 -0.255 0.000 1.046 193 T CA -1.694 60.210 62.100 -0.326 0.000 0.983 193 T CB 0.038 68.855 68.868 -0.084 0.000 1.183 193 T HN 0.177 nan 8.240 nan 0.000 0.522 194 P HA 0.288 nan 4.420 nan 0.000 0.265 194 P C -0.435 176.721 177.300 -0.239 0.000 1.193 194 P CA 0.022 62.887 63.100 -0.393 0.000 0.765 194 P CB -0.050 31.283 31.700 -0.612 0.000 0.823 195 I N -0.183 120.264 120.570 -0.206 0.000 2.834 195 I HA 0.481 4.652 4.170 0.001 0.000 0.276 195 I C -1.199 175.156 176.117 0.396 0.000 1.522 195 I CA -0.298 61.045 61.300 0.072 0.000 0.858 195 I CB 0.103 37.958 38.000 -0.243 0.000 1.585 195 I HN 0.124 nan 8.210 nan 0.000 0.574 196 F N 1.852 121.807 119.950 0.007 0.000 2.599 196 F HA 0.758 5.285 4.527 0.001 0.000 0.311 196 F C 0.827 176.652 175.800 0.043 0.000 1.076 196 F CA -1.600 56.402 58.000 0.003 0.000 0.937 196 F CB 2.333 41.292 39.000 -0.067 0.000 1.282 196 F HN 0.360 nan 8.300 nan 0.000 0.460 197 A N 2.458 125.400 122.820 0.204 0.000 2.558 197 A HA 0.302 4.622 4.320 0.001 0.000 0.262 197 A C 0.008 177.667 177.584 0.125 0.000 1.049 197 A CA 0.871 52.986 52.037 0.131 0.000 0.804 197 A CB -0.359 18.711 19.000 0.116 0.000 0.957 197 A HN 0.566 nan 8.150 nan 0.000 0.520 198 S N 3.408 119.165 115.700 0.095 0.000 2.541 198 S HA 0.705 5.176 4.470 0.001 0.000 0.271 198 S C -2.063 172.582 174.600 0.075 0.000 1.133 198 S CA -0.671 57.587 58.200 0.097 0.000 0.876 198 S CB 1.799 65.061 63.200 0.105 0.000 1.105 198 S HN 0.436 nan 8.310 nan 0.000 0.470 199 P HA 0.041 nan 4.420 nan 0.000 0.225 199 P C 0.667 178.012 177.300 0.075 0.000 1.156 199 P CA 0.438 63.586 63.100 0.081 0.000 0.787 199 P CB -0.069 31.686 31.700 0.092 0.000 0.802 200 S N -1.142 114.566 115.700 0.014 0.000 2.686 200 S HA 0.167 4.638 4.470 0.001 0.000 0.270 200 S C 1.226 175.843 174.600 0.027 0.000 1.194 200 S CA -0.445 57.700 58.200 -0.092 0.000 0.990 200 S CB 0.000 62.909 63.200 -0.485 0.000 1.029 200 S HN 0.136 nan 8.310 nan 0.000 0.560 201 H N 0.052 119.019 119.070 -0.172 0.000 2.403 201 H HA -0.043 4.514 4.556 0.001 0.000 0.298 201 H C 2.045 177.431 175.328 0.097 0.000 1.059 201 H CA 1.718 57.771 56.048 0.008 0.000 1.363 201 H CB -0.084 29.612 29.762 -0.111 0.000 1.410 201 H HN 0.944 nan 8.280 nan 0.000 0.528 202 H N -0.232 119.066 119.070 0.380 0.000 2.436 202 H HA 0.077 4.633 4.556 0.001 0.000 0.294 202 H C 0.708 176.207 175.328 0.285 0.000 1.048 202 H CA 0.558 56.853 56.048 0.413 0.000 1.353 202 H CB 0.191 30.261 29.762 0.512 0.000 1.414 202 H HN -0.073 nan 8.280 nan 0.000 0.536 203 K N -1.224 119.357 120.400 0.302 0.000 3.379 203 K HA -0.233 4.088 4.320 0.001 0.000 0.300 203 K C -0.148 176.562 176.600 0.183 0.000 1.302 203 K CA 1.046 57.458 56.287 0.210 0.000 0.877 203 K CB -2.793 29.791 32.500 0.140 0.000 1.343 203 K HN 0.509 nan 8.250 nan 0.000 0.488 204 Y N 1.527 122.194 120.300 0.613 0.000 2.523 204 Y HA -0.016 4.535 4.550 0.001 0.000 0.279 204 Y C 0.901 176.963 175.900 0.270 0.000 1.139 204 Y CA 0.703 58.982 58.100 0.297 0.000 1.296 204 Y CB 0.372 38.918 38.460 0.143 0.000 1.045 204 Y HN 0.136 nan 8.280 nan 0.000 0.538 205 D N -0.007 120.666 120.400 0.456 0.000 2.518 205 D HA 0.067 4.708 4.640 0.001 0.000 0.230 205 D C -0.369 176.039 176.300 0.180 0.000 1.138 205 D CA -0.303 53.897 54.000 0.334 0.000 0.964 205 D CB 0.029 41.048 40.800 0.365 0.000 1.011 205 D HN -0.084 nan 8.370 nan 0.000 0.517 206 T N 0.932 115.518 114.554 0.053 0.000 2.822 206 T HA 0.263 4.614 4.350 0.001 0.000 0.288 206 T C 1.278 176.003 174.700 0.043 0.000 0.991 206 T CA 0.115 62.155 62.100 -0.101 0.000 1.176 206 T CB 1.313 69.826 68.868 -0.592 0.000 0.951 206 T HN 0.531 nan 8.240 nan 0.000 0.526 207 A N 2.775 125.667 122.820 0.121 0.000 1.963 207 A HA 0.259 4.580 4.320 0.001 0.000 0.207 207 A C 0.889 178.690 177.584 0.362 0.000 1.243 207 A CA 0.147 52.338 52.037 0.256 0.000 0.728 207 A CB 0.389 19.505 19.000 0.193 0.000 0.895 207 A HN 0.684 nan 8.150 nan 0.000 0.467 208 D N -1.769 118.782 120.400 0.252 0.000 2.476 208 D HA 0.390 5.031 4.640 0.001 0.000 0.251 208 D C -0.439 176.019 176.300 0.264 0.000 1.291 208 D CA -0.555 53.638 54.000 0.321 0.000 0.939 208 D CB 0.534 41.462 40.800 0.214 0.000 1.221 208 D HN 0.178 nan 8.370 nan 0.000 0.567 209 Y N 1.923 122.516 120.300 0.488 0.000 2.403 209 Y HA -0.010 4.541 4.550 0.001 0.000 0.291 209 Y C 1.833 177.903 175.900 0.285 0.000 1.143 209 Y CA 0.923 59.334 58.100 0.519 0.000 1.257 209 Y CB 0.193 39.037 38.460 0.641 0.000 0.984 209 Y HN 0.426 nan 8.280 nan 0.000 0.550 210 L N -0.909 120.478 121.223 0.274 0.000 2.653 210 L HA 0.411 4.751 4.340 0.001 0.000 0.231 210 L C 0.452 177.349 176.870 0.045 0.000 1.153 210 L CA -0.247 54.591 54.840 -0.002 0.000 0.933 210 L CB -0.312 41.462 42.059 -0.476 0.000 1.175 210 L HN 0.014 nan 8.230 nan 0.000 0.473 211 A N 0.496 123.376 122.820 0.100 0.000 2.486 211 A HA 0.650 4.970 4.320 0.001 0.000 0.300 211 A C -0.438 177.212 177.584 0.109 0.000 1.048 211 A CA -0.529 51.578 52.037 0.116 0.000 0.696 211 A CB 1.698 20.738 19.000 0.067 0.000 1.278 211 A HN -0.034 nan 8.150 nan 0.000 0.405 212 I N 1.896 122.566 120.570 0.166 0.000 2.575 212 I HA 0.073 4.244 4.170 0.001 0.000 0.285 212 I C 0.506 176.710 176.117 0.145 0.000 1.085 212 I CA 0.011 61.406 61.300 0.159 0.000 1.403 212 I CB 0.760 38.861 38.000 0.169 0.000 1.409 212 I HN 0.712 nan 8.210 nan 0.000 0.557 213 D N 7.925 128.434 120.400 0.182 0.000 2.450 213 D HA 0.022 4.663 4.640 0.001 0.000 0.247 213 D C -1.611 174.669 176.300 -0.033 0.000 1.162 213 D CA -1.182 52.840 54.000 0.036 0.000 0.879 213 D CB 1.716 42.459 40.800 -0.095 0.000 1.163 213 D HN 0.239 nan 8.370 nan 0.000 0.472 214 P HA -0.227 nan 4.420 nan 0.000 0.218 214 P C 1.262 178.495 177.300 -0.113 0.000 1.150 214 P CA 1.568 64.635 63.100 -0.055 0.000 0.841 214 P CB 0.036 31.702 31.700 -0.055 0.000 0.784 215 Q N -2.236 117.404 119.800 -0.267 0.000 2.297 215 Q HA -0.104 4.237 4.340 0.001 0.000 0.204 215 Q C 1.155 177.046 176.000 -0.183 0.000 0.962 215 Q CA 1.250 56.855 55.803 -0.331 0.000 0.879 215 Q CB -0.687 27.708 28.738 -0.573 0.000 0.947 215 Q HN 0.193 nan 8.270 nan 0.000 0.462 216 F N 0.350 120.285 119.950 -0.025 0.000 2.505 216 F HA 0.462 4.990 4.527 0.001 0.000 0.289 216 F C 1.396 177.200 175.800 0.006 0.000 1.101 216 F CA 0.502 58.497 58.000 -0.009 0.000 1.446 216 F CB 0.579 39.570 39.000 -0.015 0.000 1.123 216 F HN 0.292 nan 8.300 nan 0.000 0.564 217 G N -0.361 108.550 108.800 0.184 0.000 2.373 217 G HA2 0.337 4.298 3.960 0.001 0.000 0.250 217 G HA3 0.337 4.298 3.960 0.001 0.000 0.250 217 G C -2.107 172.863 174.900 0.116 0.000 1.304 217 G CA -0.308 44.869 45.100 0.128 0.000 0.948 217 G HN 0.189 nan 8.290 nan 0.000 0.474 218 D N -1.554 118.918 120.400 0.120 0.000 2.664 218 D HA 0.597 5.238 4.640 0.001 0.000 0.292 218 D C 1.279 177.669 176.300 0.150 0.000 1.214 218 D CA -0.856 53.211 54.000 0.113 0.000 0.932 218 D CB 0.351 41.195 40.800 0.072 0.000 1.420 218 D HN 0.384 nan 8.370 nan 0.000 0.471 219 L N -0.269 121.033 121.223 0.131 0.000 1.990 219 L HA -0.062 4.278 4.340 0.001 0.000 0.213 219 L C -0.711 176.250 176.870 0.152 0.000 1.072 219 L CA 2.367 57.294 54.840 0.145 0.000 0.755 219 L CB -2.221 39.883 42.059 0.075 0.000 0.889 219 L HN 0.447 nan 8.230 nan 0.000 0.432 220 P HA -0.138 nan 4.420 nan 0.000 0.216 220 P C 1.645 178.985 177.300 0.068 0.000 1.153 220 P CA 1.772 64.910 63.100 0.063 0.000 0.858 220 P CB -0.057 31.667 31.700 0.040 0.000 0.789 221 T N -1.352 113.254 114.554 0.088 0.000 2.821 221 T HA -0.142 4.209 4.350 0.001 0.000 0.267 221 T C 1.466 176.223 174.700 0.095 0.000 1.046 221 T CA 0.902 63.045 62.100 0.073 0.000 1.139 221 T CB -1.012 67.904 68.868 0.079 0.000 0.871 221 T HN 0.027 nan 8.240 nan 0.000 0.454 222 F N 2.415 122.370 119.950 0.009 0.000 2.134 222 F HA -0.053 4.475 4.527 0.001 0.000 0.299 222 F C 2.465 178.251 175.800 -0.024 0.000 1.097 222 F CA 1.108 59.109 58.000 0.001 0.000 1.264 222 F CB -0.130 38.934 39.000 0.106 0.000 1.001 222 F HN -0.112 nan 8.300 nan 0.000 0.479 223 R N -0.066 120.470 120.500 0.061 0.000 2.083 223 R HA -0.198 4.143 4.340 0.001 0.000 0.237 223 R C 2.337 178.549 176.300 -0.147 0.000 1.137 223 R CA 1.576 57.636 56.100 -0.068 0.000 0.951 223 R CB -0.669 29.631 30.300 0.001 0.000 0.851 223 R HN 0.172 nan 8.270 nan 0.000 0.434 224 R N 1.281 121.728 120.500 -0.090 0.000 2.083 224 R HA -0.147 4.194 4.340 0.001 0.000 0.237 224 R C 2.213 178.423 176.300 -0.151 0.000 1.137 224 R CA 1.262 57.306 56.100 -0.093 0.000 0.951 224 R CB -0.895 29.374 30.300 -0.051 0.000 0.851 224 R HN 0.163 nan 8.270 nan 0.000 0.434 225 L N -0.149 120.956 121.223 -0.198 0.000 2.042 225 L HA -0.113 4.228 4.340 0.001 0.000 0.210 225 L C 1.965 178.627 176.870 -0.347 0.000 1.076 225 L CA 1.664 56.361 54.840 -0.239 0.000 0.749 225 L CB -0.634 41.268 42.059 -0.261 0.000 0.893 225 L HN 0.086 nan 8.230 nan 0.000 0.432 226 V N 0.038 119.639 119.914 -0.522 0.000 2.261 226 V HA -0.292 3.829 4.120 0.001 0.000 0.246 226 V C 2.368 178.134 176.094 -0.546 0.000 1.047 226 V CA 2.042 63.961 62.300 -0.635 0.000 1.015 226 V CB -0.879 30.549 31.823 -0.657 0.000 0.642 226 V HN 0.443 nan 8.190 nan 0.000 0.446 227 D N -0.328 119.889 120.400 -0.305 0.000 2.097 227 D HA -0.143 4.497 4.640 0.001 0.000 0.195 227 D C 2.285 178.522 176.300 -0.104 0.000 0.989 227 D CA 1.082 54.995 54.000 -0.146 0.000 0.827 227 D CB -0.243 40.508 40.800 -0.083 0.000 0.966 227 D HN 0.363 nan 8.370 nan 0.000 0.456 228 E N 0.512 120.643 120.200 -0.115 0.000 2.153 228 E HA -0.081 4.270 4.350 0.001 0.000 0.194 228 E C 1.958 178.515 176.600 -0.070 0.000 0.988 228 E CA 0.628 56.983 56.400 -0.076 0.000 0.811 228 E CB -0.147 29.512 29.700 -0.069 0.000 0.746 228 E HN 0.229 nan 8.360 nan 0.000 0.466 229 A N 0.175 122.924 122.820 -0.118 0.000 1.874 229 A HA -0.135 4.186 4.320 0.001 0.000 0.214 229 A C 1.904 179.470 177.584 -0.030 0.000 1.189 229 A CA 1.268 53.247 52.037 -0.096 0.000 0.615 229 A CB -0.789 18.120 19.000 -0.151 0.000 0.830 229 A HN 0.322 nan 8.150 nan 0.000 0.443 230 H N 0.132 119.133 119.070 -0.114 0.000 2.319 230 H HA -0.170 4.387 4.556 0.001 0.000 0.299 230 H C 2.333 177.599 175.328 -0.102 0.000 1.092 230 H CA 1.450 57.423 56.048 -0.124 0.000 1.302 230 H CB -0.041 29.646 29.762 -0.124 0.000 1.373 230 H HN 0.581 nan 8.280 nan 0.000 0.497 231 R N 1.117 121.647 120.500 0.052 0.000 2.249 231 R HA -0.077 4.263 4.340 0.001 0.000 0.230 231 R C 1.312 177.601 176.300 -0.018 0.000 1.121 231 R CA 1.150 57.250 56.100 -0.000 0.000 0.997 231 R CB -0.179 30.116 30.300 -0.009 0.000 0.867 231 R HN 0.289 nan 8.270 nan 0.000 0.465 232 R N 0.547 121.037 120.500 -0.016 0.000 2.388 232 R HA 0.120 4.460 4.340 0.001 0.000 0.247 232 R C 0.355 176.630 176.300 -0.041 0.000 0.931 232 R CA 0.407 56.490 56.100 -0.028 0.000 1.082 232 R CB 0.824 31.109 30.300 -0.024 0.000 1.135 232 R HN 0.523 nan 8.270 nan 0.000 0.525 233 G N 1.893 110.664 108.800 -0.048 0.000 2.198 233 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 233 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 233 G C 0.048 174.899 174.900 -0.081 0.000 1.025 233 G CA 0.115 45.167 45.100 -0.080 0.000 0.769 233 G HN 0.297 nan 8.290 nan 0.000 0.507 234 I N -0.073 120.467 120.570 -0.049 0.000 2.406 234 I HA 0.399 4.570 4.170 0.001 0.000 0.290 234 I C 0.517 176.618 176.117 -0.028 0.000 0.999 234 I CA -0.904 60.364 61.300 -0.054 0.000 1.124 234 I CB 1.609 39.581 38.000 -0.047 0.000 1.289 234 I HN -0.074 nan 8.210 nan 0.000 0.441 235 K N 5.332 125.665 120.400 -0.112 0.000 2.098 235 K HA 0.601 4.922 4.320 0.001 0.000 0.244 235 K C -0.748 175.826 176.600 -0.044 0.000 1.014 235 K CA -0.826 55.390 56.287 -0.118 0.000 0.917 235 K CB 1.513 33.720 32.500 -0.488 0.000 1.072 235 K HN 0.350 nan 8.250 nan 0.000 0.477 236 I N 2.804 123.364 120.570 -0.015 0.000 2.389 236 I HA 0.304 4.475 4.170 0.001 0.000 0.288 236 I C -0.556 175.626 176.117 0.107 0.000 0.999 236 I CA -0.647 60.679 61.300 0.044 0.000 1.129 236 I CB 1.316 39.271 38.000 -0.075 0.000 1.288 236 I HN 0.409 nan 8.210 nan 0.000 0.444 237 I N 7.096 127.794 120.570 0.213 0.000 2.389 237 I HA 0.448 4.618 4.170 0.001 0.000 0.288 237 I C -0.032 176.234 176.117 0.249 0.000 0.999 237 I CA -0.523 60.917 61.300 0.232 0.000 1.129 237 I CB 1.788 40.040 38.000 0.421 0.000 1.288 237 I HN 0.282 nan 8.210 nan 0.000 0.444 238 L N 4.301 125.538 121.223 0.024 0.000 2.352 238 L HA 0.463 4.804 4.340 0.001 0.000 0.269 238 L C 0.205 177.126 176.870 0.084 0.000 1.034 238 L CA -0.741 54.079 54.840 -0.033 0.000 0.806 238 L CB 1.714 43.588 42.059 -0.307 0.000 1.244 238 L HN 0.482 nan 8.230 nan 0.000 0.447 239 D N 1.575 121.987 120.400 0.020 0.000 2.280 239 D HA 0.376 5.017 4.640 0.001 0.000 0.243 239 D C -0.694 175.568 176.300 -0.063 0.000 1.129 239 D CA -0.154 53.887 54.000 0.067 0.000 0.848 239 D CB 1.828 42.645 40.800 0.029 0.000 1.107 239 D HN 0.546 nan 8.370 nan 0.000 0.471 240 A N 4.066 126.850 122.820 -0.060 0.000 2.253 240 A HA 0.406 4.726 4.320 0.001 0.000 0.316 240 A C -0.212 177.108 177.584 -0.440 0.000 1.327 240 A CA -0.671 51.140 52.037 -0.377 0.000 0.917 240 A CB 0.742 19.129 19.000 -1.021 0.000 1.162 240 A HN 0.390 nan 8.150 nan 0.000 0.535 241 V N 4.614 124.443 119.914 -0.142 0.000 2.221 241 V HA 0.148 4.268 4.120 0.001 0.000 0.258 241 V C -0.014 176.225 176.094 0.242 0.000 1.179 241 V CA 0.060 62.344 62.300 -0.027 0.000 1.022 241 V CB -0.884 30.905 31.823 -0.056 0.000 1.228 241 V HN 0.841 nan 8.190 nan 0.000 0.487 242 F N 1.734 121.642 119.950 -0.071 0.000 2.746 242 F HA 0.150 4.678 4.527 0.001 0.000 0.297 242 F C 1.997 177.639 175.800 -0.262 0.000 1.113 242 F CA -0.158 57.725 58.000 -0.195 0.000 1.367 242 F CB -0.731 38.078 39.000 -0.318 0.000 1.111 242 F HN 0.489 nan 8.300 nan 0.000 0.590 243 N N 0.677 119.382 118.700 0.009 0.000 2.216 243 N HA -0.135 4.605 4.740 0.001 0.000 0.183 243 N C 0.063 175.631 175.510 0.096 0.000 1.017 243 N CA 1.141 54.199 53.050 0.013 0.000 0.861 243 N CB -0.075 38.474 38.487 0.104 0.000 0.986 243 N HN 0.472 nan 8.380 nan 0.000 0.428 244 H N -3.467 115.635 119.070 0.053 0.000 3.012 244 H HA 0.781 5.338 4.556 0.001 0.000 0.367 244 H C -1.248 174.148 175.328 0.113 0.000 1.211 244 H CA -0.818 55.272 56.048 0.070 0.000 1.139 244 H CB 1.084 30.881 29.762 0.058 0.000 1.838 244 H HN 0.048 nan 8.280 nan 0.000 0.550 245 A N 1.271 124.193 122.820 0.170 0.000 2.373 245 A HA 0.835 5.155 4.320 0.001 0.000 0.291 245 A C 0.427 178.113 177.584 0.169 0.000 1.171 245 A CA -0.572 51.516 52.037 0.084 0.000 0.922 245 A CB 0.646 19.559 19.000 -0.144 0.000 1.400 245 A HN 1.082 nan 8.150 nan 0.000 0.474 246 G N -0.913 107.975 108.800 0.146 0.000 2.477 246 G HA2 0.419 4.380 3.960 0.001 0.000 0.304 246 G HA3 0.419 4.380 3.960 0.001 0.000 0.304 246 G C 0.115 175.104 174.900 0.149 0.000 1.175 246 G CA 0.368 45.575 45.100 0.177 0.000 0.907 246 G HN 0.730 nan 8.290 nan 0.000 0.509 247 D N -0.419 120.048 120.400 0.112 0.000 2.371 247 D HA -0.088 4.553 4.640 0.001 0.000 0.221 247 D C 1.238 177.723 176.300 0.309 0.000 0.986 247 D CA 0.545 54.636 54.000 0.152 0.000 0.899 247 D CB 0.285 41.204 40.800 0.199 0.000 0.902 247 D HN 0.255 nan 8.370 nan 0.000 0.530 248 Q N -0.421 119.539 119.800 0.267 0.000 2.319 248 Q HA 0.113 4.454 4.340 0.001 0.000 0.202 248 Q C -0.160 176.034 176.000 0.324 0.000 0.896 248 Q CA -0.502 55.450 55.803 0.249 0.000 0.942 248 Q CB -0.212 28.645 28.738 0.197 0.000 1.083 248 Q HN 0.283 nan 8.270 nan 0.000 0.510 249 F N 2.425 122.496 119.950 0.201 0.000 2.571 249 F HA -0.075 4.452 4.527 0.001 0.000 0.384 249 F C 1.249 177.141 175.800 0.154 0.000 1.058 249 F CA -1.204 56.931 58.000 0.224 0.000 1.200 249 F CB 0.145 39.298 39.000 0.254 0.000 1.077 249 F HN 0.109 nan 8.300 nan 0.000 0.558 250 F N 4.972 124.752 119.950 -0.284 0.000 2.135 250 F HA -0.286 4.241 4.527 0.001 0.000 0.300 250 F C 1.669 177.122 175.800 -0.579 0.000 1.074 250 F CA 1.887 59.640 58.000 -0.412 0.000 1.262 250 F CB -1.249 37.502 39.000 -0.415 0.000 1.013 250 F HN 0.400 nan 8.300 nan 0.000 0.489 251 A N -0.059 121.472 122.820 -2.149 0.000 1.897 251 A HA -0.039 4.282 4.320 0.001 0.000 0.215 251 A C 2.128 179.530 177.584 -0.303 0.000 1.181 251 A CA 1.191 52.349 52.037 -1.464 0.000 0.620 251 A CB -1.491 16.651 19.000 -1.430 0.000 0.821 251 A HN 0.507 nan 8.150 nan 0.000 0.443 252 F N 0.847 120.653 119.950 -0.240 0.000 2.146 252 F HA -0.079 4.449 4.527 0.001 0.000 0.298 252 F C 2.408 178.031 175.800 -0.295 0.000 1.096 252 F CA 1.483 59.200 58.000 -0.471 0.000 1.275 252 F CB -0.206 38.560 39.000 -0.390 0.000 1.008 252 F HN 0.101 nan 8.300 nan 0.000 0.480 253 R N -0.127 120.336 120.500 -0.060 0.000 2.105 253 R HA -0.216 4.125 4.340 0.001 0.000 0.239 253 R C 1.878 178.087 176.300 -0.151 0.000 1.135 253 R CA 1.783 57.825 56.100 -0.097 0.000 0.967 253 R CB -0.825 29.483 30.300 0.013 0.000 0.861 253 R HN 0.351 nan 8.270 nan 0.000 0.442 254 D N 0.103 120.428 120.400 -0.126 0.000 2.117 254 D HA -0.122 4.519 4.640 0.001 0.000 0.197 254 D C 1.728 177.959 176.300 -0.115 0.000 0.987 254 D CA 0.981 54.943 54.000 -0.063 0.000 0.829 254 D CB 0.241 41.083 40.800 0.070 0.000 0.961 254 D HN -0.049 nan 8.370 nan 0.000 0.460 255 V N 0.445 120.250 119.914 -0.182 0.000 2.427 255 V HA -0.164 3.957 4.120 0.001 0.000 0.248 255 V C 2.551 178.490 176.094 -0.258 0.000 1.051 255 V CA 1.005 63.193 62.300 -0.187 0.000 1.048 255 V CB -0.488 31.220 31.823 -0.192 0.000 0.666 255 V HN 0.327 nan 8.190 nan 0.000 0.456 256 L N -0.288 120.687 121.223 -0.412 0.000 2.191 256 L HA -0.216 4.125 4.340 0.001 0.000 0.212 256 L C 2.553 179.317 176.870 -0.177 0.000 1.103 256 L CA 1.568 56.194 54.840 -0.357 0.000 0.769 256 L CB -0.175 41.654 42.059 -0.383 0.000 0.908 256 L HN 0.395 nan 8.230 nan 0.000 0.438 257 Q N 0.043 119.760 119.800 -0.140 0.000 2.226 257 Q HA -0.074 4.266 4.340 0.001 0.000 0.199 257 Q C 1.593 177.541 176.000 -0.086 0.000 0.945 257 Q CA 1.281 57.030 55.803 -0.089 0.000 0.861 257 Q CB 0.314 29.012 28.738 -0.066 0.000 0.953 257 Q HN 0.257 nan 8.270 nan 0.000 0.490 258 K N -0.397 119.941 120.400 -0.103 0.000 2.358 258 K HA 0.320 4.640 4.320 0.001 0.000 0.197 258 K C 0.795 177.299 176.600 -0.160 0.000 1.025 258 K CA 0.259 56.476 56.287 -0.116 0.000 1.104 258 K CB 0.728 33.157 32.500 -0.117 0.000 0.855 258 K HN 0.326 nan 8.250 nan 0.000 0.531 259 G N 3.361 112.081 108.800 -0.134 0.000 2.614 259 G HA2 -0.409 3.552 3.960 0.001 0.000 0.303 259 G HA3 -0.409 3.552 3.960 0.001 0.000 0.303 259 G C 0.645 175.180 174.900 -0.608 0.000 1.270 259 G CA 0.687 45.663 45.100 -0.207 0.000 0.988 259 G HN 0.515 nan 8.290 nan 0.000 0.551 260 E N 0.612 120.112 120.200 -1.166 0.000 2.515 260 E HA -0.048 4.303 4.350 0.001 0.000 0.201 260 E C 1.801 178.137 176.600 -0.440 0.000 1.071 260 E CA 1.047 56.848 56.400 -0.998 0.000 0.880 260 E CB -0.006 29.105 29.700 -0.981 0.000 0.828 260 E HN 0.513 nan 8.360 nan 0.000 0.540 261 Q N 1.134 120.733 119.800 -0.334 0.000 2.408 261 Q HA 0.032 4.373 4.340 0.001 0.000 0.205 261 Q C 0.919 176.803 176.000 -0.194 0.000 0.919 261 Q CA 0.336 56.008 55.803 -0.218 0.000 0.932 261 Q CB 0.664 29.298 28.738 -0.173 0.000 1.058 261 Q HN 0.272 nan 8.270 nan 0.000 0.517 262 S N 0.225 115.806 115.700 -0.198 0.000 2.564 262 S HA 0.190 4.660 4.470 0.001 0.000 0.278 262 S C 0.834 175.289 174.600 -0.242 0.000 1.333 262 S CA -0.478 57.611 58.200 -0.185 0.000 1.048 262 S CB 1.443 64.572 63.200 -0.118 0.000 0.900 262 S HN 0.020 nan 8.310 nan 0.000 0.505 263 R N 1.434 121.689 120.500 -0.408 0.000 2.313 263 R HA 0.122 4.463 4.340 0.001 0.000 0.199 263 R C -0.208 175.673 176.300 -0.697 0.000 0.958 263 R CA 0.563 56.347 56.100 -0.526 0.000 1.047 263 R CB -0.556 29.361 30.300 -0.638 0.000 0.955 263 R HN 0.902 nan 8.270 nan 0.000 0.481 264 Y N -0.385 119.733 120.300 -0.305 0.000 2.584 264 Y HA 0.103 4.654 4.550 0.001 0.000 0.254 264 Y C 1.770 177.649 175.900 -0.035 0.000 1.177 264 Y CA -0.388 57.410 58.100 -0.503 0.000 1.216 264 Y CB 0.508 38.569 38.460 -0.666 0.000 1.172 264 Y HN -0.013 nan 8.280 nan 0.000 0.529 265 K N -0.363 120.123 120.400 0.143 0.000 2.211 265 K HA -0.150 4.171 4.320 0.001 0.000 0.203 265 K C 0.306 177.132 176.600 0.376 0.000 1.050 265 K CA 1.976 58.453 56.287 0.317 0.000 0.945 265 K CB -0.105 32.544 32.500 0.248 0.000 0.732 265 K HN 0.068 nan 8.250 nan 0.000 0.451 266 D N -0.330 120.233 120.400 0.272 0.000 2.324 266 D HA 0.001 4.642 4.640 0.001 0.000 0.235 266 D C 0.036 176.483 176.300 0.246 0.000 1.095 266 D CA 0.275 54.406 54.000 0.218 0.000 0.871 266 D CB -0.027 40.866 40.800 0.154 0.000 0.906 266 D HN 0.355 nan 8.370 nan 0.000 0.522 267 W N -0.380 120.848 121.300 -0.122 0.000 3.278 267 W HA 0.266 4.927 4.660 0.001 0.000 0.308 267 W C -0.109 175.849 176.519 -0.934 0.000 1.253 267 W CA -0.305 56.739 57.345 -0.502 0.000 1.759 267 W CB -0.152 28.969 29.460 -0.564 0.000 1.093 267 W HN -0.186 nan 8.180 nan 0.000 0.648 268 F N -1.916 118.186 119.950 0.253 0.000 2.764 268 F HA 0.488 5.016 4.527 0.001 0.000 0.347 268 F C -0.729 175.131 175.800 0.101 0.000 1.151 268 F CA -1.838 56.327 58.000 0.275 0.000 1.021 268 F CB 0.415 39.674 39.000 0.432 0.000 1.438 268 F HN -0.530 nan 8.300 nan 0.000 0.516 269 F N 2.213 122.399 119.950 0.392 0.000 2.307 269 F HA 0.518 5.045 4.527 0.001 0.000 0.369 269 F C -0.477 175.465 175.800 0.236 0.000 1.076 269 F CA -0.322 57.823 58.000 0.241 0.000 1.149 269 F CB 0.527 39.627 39.000 0.167 0.000 1.410 269 F HN -0.001 nan 8.300 nan 0.000 0.481 270 I N 2.825 123.557 120.570 0.269 0.000 2.377 270 I HA 0.220 4.391 4.170 0.001 0.000 0.293 270 I C 1.055 177.174 176.117 0.002 0.000 0.987 270 I CA -0.358 60.989 61.300 0.079 0.000 1.185 270 I CB 1.909 39.785 38.000 -0.206 0.000 1.341 270 I HN 0.584 nan 8.210 nan 0.000 0.455 271 E N 3.737 123.930 120.200 -0.012 0.000 2.140 271 E HA 0.031 4.382 4.350 0.001 0.000 0.191 271 E C -0.826 175.746 176.600 -0.046 0.000 0.973 271 E CA 0.355 56.759 56.400 0.005 0.000 0.829 271 E CB 0.175 29.895 29.700 0.034 0.000 0.781 271 E HN 0.768 nan 8.360 nan 0.000 0.466 272 D N -0.706 119.596 120.400 -0.162 0.000 2.663 272 D HA 0.337 4.977 4.640 0.001 0.000 0.233 272 D C -1.266 174.859 176.300 -0.292 0.000 1.240 272 D CA -0.629 53.299 54.000 -0.120 0.000 0.774 272 D CB 0.232 41.039 40.800 0.013 0.000 1.443 272 D HN -0.018 nan 8.370 nan 0.000 0.441 273 F N 0.093 120.056 119.950 0.021 0.000 2.440 273 F HA 0.612 5.139 4.527 0.001 0.000 0.328 273 F C -1.354 174.444 175.800 -0.003 0.000 1.070 273 F CA -1.562 56.434 58.000 -0.006 0.000 1.011 273 F CB 0.487 39.470 39.000 -0.028 0.000 1.226 273 F HN 0.168 nan 8.300 nan 0.000 0.491 274 P HA 0.143 nan 4.420 nan 0.000 0.272 274 P C -0.943 176.373 177.300 0.027 0.000 1.230 274 P CA -0.258 62.927 63.100 0.142 0.000 0.788 274 P CB 1.177 32.917 31.700 0.068 0.000 0.949 275 V N 1.622 121.512 119.914 -0.039 0.000 2.322 275 V HA 0.422 4.543 4.120 0.001 0.000 0.258 275 V C 0.473 176.478 176.094 -0.149 0.000 1.074 275 V CA 0.411 62.598 62.300 -0.188 0.000 0.909 275 V CB -0.449 31.119 31.823 -0.425 0.000 1.090 275 V HN 0.896 nan 8.190 nan 0.000 0.486 276 S N 4.512 120.224 115.700 0.020 0.000 2.751 276 S HA 0.558 5.029 4.470 0.001 0.000 0.289 276 S C -1.315 173.362 174.600 0.129 0.000 0.965 276 S CA -0.776 57.485 58.200 0.101 0.000 0.855 276 S CB 1.257 64.472 63.200 0.024 0.000 1.068 276 S HN 0.837 nan 8.310 nan 0.000 0.462 277 K N 1.063 121.559 120.400 0.159 0.000 2.991 277 K HA 0.327 4.647 4.320 0.001 0.000 0.309 277 K C -1.762 174.900 176.600 0.103 0.000 1.122 277 K CA -0.426 55.924 56.287 0.106 0.000 0.879 277 K CB 0.770 33.320 32.500 0.083 0.000 1.418 277 K HN 0.648 nan 8.250 nan 0.000 0.369 278 T N 1.825 116.419 114.554 0.065 0.000 2.799 278 T HA 0.349 4.700 4.350 0.001 0.000 0.286 278 T C 0.372 175.086 174.700 0.023 0.000 0.973 278 T CA 0.170 62.299 62.100 0.049 0.000 1.035 278 T CB 1.300 70.193 68.868 0.041 0.000 0.932 278 T HN 0.714 nan 8.240 nan 0.000 0.469 279 S N 0.548 116.253 115.700 0.008 0.000 2.450 279 S HA -0.210 4.261 4.470 0.001 0.000 0.248 279 S C 0.490 175.075 174.600 -0.024 0.000 1.240 279 S CA 1.633 59.826 58.200 -0.013 0.000 1.532 279 S CB -0.853 62.342 63.200 -0.009 0.000 1.941 279 S HN 0.959 nan 8.310 nan 0.000 0.623 280 R N 1.191 121.683 120.500 -0.013 0.000 2.686 280 R HA 0.599 4.940 4.340 0.001 0.000 0.283 280 R C -1.187 175.105 176.300 -0.014 0.000 0.978 280 R CA 0.263 56.351 56.100 -0.020 0.000 0.897 280 R CB 1.767 32.066 30.300 -0.001 0.000 1.192 280 R HN 0.247 nan 8.270 nan 0.000 0.457 281 T N 0.507 115.026 114.554 -0.057 0.000 2.956 281 T HA 0.267 4.617 4.350 0.001 0.000 0.312 281 T C -0.261 174.427 174.700 -0.020 0.000 1.151 281 T CA -1.118 60.941 62.100 -0.070 0.000 1.024 281 T CB 1.318 69.904 68.868 -0.470 0.000 1.140 281 T HN 0.723 nan 8.240 nan 0.000 0.473 282 N N 1.161 119.967 118.700 0.177 0.000 2.327 282 N HA 0.149 4.890 4.740 0.001 0.000 0.231 282 N C -0.476 175.186 175.510 0.253 0.000 1.130 282 N CA -0.544 52.595 53.050 0.147 0.000 0.845 282 N CB -0.287 38.254 38.487 0.090 0.000 1.073 282 N HN 0.905 nan 8.380 nan 0.000 0.496 283 Y N -2.836 117.487 120.300 0.039 0.000 2.552 283 Y HA 0.473 5.024 4.550 0.001 0.000 0.337 283 Y C -0.497 175.462 175.900 0.098 0.000 1.094 283 Y CA -1.427 56.732 58.100 0.099 0.000 1.028 283 Y CB 0.887 39.454 38.460 0.177 0.000 1.321 283 Y HN -0.183 nan 8.280 nan 0.000 0.456 284 E N 1.933 122.225 120.200 0.154 0.000 2.384 284 E HA 0.332 4.683 4.350 0.001 0.000 0.266 284 E C -0.470 176.101 176.600 -0.047 0.000 1.012 284 E CA 0.333 56.726 56.400 -0.011 0.000 0.901 284 E CB 0.913 30.574 29.700 -0.065 0.000 0.967 284 E HN 0.803 nan 8.360 nan 0.000 0.435 285 T N -0.181 114.278 114.554 -0.157 0.000 2.887 285 T HA 0.667 5.018 4.350 0.001 0.000 0.292 285 T C -0.291 174.307 174.700 -0.170 0.000 1.087 285 T CA -0.778 61.225 62.100 -0.162 0.000 1.009 285 T CB 1.440 70.151 68.868 -0.262 0.000 1.203 285 T HN 0.460 nan 8.240 nan 0.000 0.518 286 A N 1.165 123.846 122.820 -0.233 0.000 2.498 286 A HA 0.630 4.951 4.320 0.001 0.000 0.239 286 A C 1.446 178.901 177.584 -0.214 0.000 1.068 286 A CA 0.344 52.211 52.037 -0.284 0.000 0.766 286 A CB -1.378 17.226 19.000 -0.661 0.000 1.003 286 A HN 2.507 nan 8.150 nan 0.000 0.497 287 A N 0.963 123.691 122.820 -0.153 0.000 5.483 287 A HA -0.142 4.179 4.320 0.001 0.000 0.309 287 A C 0.442 177.957 177.584 -0.115 0.000 1.898 287 A CA 1.322 53.288 52.037 -0.118 0.000 0.716 287 A CB -2.022 16.905 19.000 -0.122 0.000 1.309 287 A HN 2.065 nan 8.150 nan 0.000 0.380 288 V N 0.496 120.346 119.914 -0.108 0.000 2.487 288 V HA 0.585 4.706 4.120 0.001 0.000 0.298 288 V C -0.056 175.972 176.094 -0.110 0.000 1.028 288 V CA 0.241 62.481 62.300 -0.101 0.000 0.860 288 V CB 1.450 33.227 31.823 -0.076 0.000 0.991 288 V HN 1.008 nan 8.190 nan 0.000 0.427 289 Q N 2.151 121.874 119.800 -0.128 0.000 2.443 289 Q HA -0.155 4.186 4.340 0.001 0.000 0.337 289 Q C -0.368 175.558 176.000 -0.122 0.000 1.401 289 Q CA 0.437 56.161 55.803 -0.132 0.000 0.943 289 Q CB -0.985 27.698 28.738 -0.092 0.000 1.177 289 Q HN 0.663 nan 8.270 nan 0.000 0.394 290 V N 0.677 120.501 119.914 -0.150 0.000 2.235 290 V HA 0.101 4.222 4.120 0.001 0.000 0.266 290 V C -1.369 174.665 176.094 -0.100 0.000 1.055 290 V CA -1.097 61.135 62.300 -0.113 0.000 0.844 290 V CB 1.337 33.077 31.823 -0.138 0.000 1.097 290 V HN 0.103 nan 8.190 nan 0.000 0.453 291 P HA -0.244 nan 4.420 nan 0.000 0.218 291 P C 1.585 178.968 177.300 0.138 0.000 1.154 291 P CA 1.981 65.120 63.100 0.065 0.000 0.872 291 P CB 0.296 32.072 31.700 0.127 0.000 0.790 292 A N -1.970 120.909 122.820 0.098 0.000 2.248 292 A HA -0.004 4.316 4.320 0.001 0.000 0.210 292 A C 1.262 178.911 177.584 0.107 0.000 1.174 292 A CA 0.955 53.064 52.037 0.121 0.000 0.750 292 A CB -0.994 18.097 19.000 0.152 0.000 0.780 292 A HN 0.183 nan 8.150 nan 0.000 0.478 293 M N 1.194 120.820 119.600 0.044 0.000 2.693 293 M HA 0.219 4.699 4.480 0.001 0.000 0.224 293 M C -2.891 173.415 176.300 0.011 0.000 1.149 293 M CA -1.634 53.698 55.300 0.054 0.000 0.622 293 M CB 1.688 34.182 32.600 -0.177 0.000 1.443 293 M HN -0.053 nan 8.290 nan 0.000 0.431 294 P HA 0.042 nan 4.420 nan 0.000 0.271 294 P C -0.676 176.790 177.300 0.276 0.000 1.226 294 P CA 0.083 63.245 63.100 0.103 0.000 0.765 294 P CB 0.679 32.170 31.700 -0.349 0.000 0.835 295 K N 4.115 124.677 120.400 0.270 0.000 2.448 295 K HA 0.089 4.410 4.320 0.001 0.000 0.278 295 K C -0.350 176.457 176.600 0.344 0.000 1.009 295 K CA -0.247 56.191 56.287 0.252 0.000 0.995 295 K CB 0.025 32.575 32.500 0.084 0.000 0.917 295 K HN 0.429 nan 8.250 nan 0.000 0.481 296 L N 4.358 125.678 121.223 0.162 0.000 2.326 296 L HA 0.285 4.626 4.340 0.001 0.000 0.278 296 L C 0.842 177.721 176.870 0.014 0.000 1.092 296 L CA -0.245 54.572 54.840 -0.039 0.000 0.810 296 L CB 1.041 42.988 42.059 -0.186 0.000 1.153 296 L HN 0.585 nan 8.230 nan 0.000 0.439 297 R N 1.319 121.753 120.500 -0.110 0.000 2.891 297 R HA 0.053 4.394 4.340 0.001 0.000 0.248 297 R C 0.958 177.111 176.300 -0.244 0.000 1.439 297 R CA 0.059 56.112 56.100 -0.078 0.000 1.288 297 R CB 0.159 30.209 30.300 -0.417 0.000 1.212 297 R HN 0.854 nan 8.270 nan 0.000 0.605 298 T N -0.882 113.523 114.554 -0.248 0.000 3.025 298 T HA -0.110 4.241 4.350 0.001 0.000 0.270 298 T C 1.021 175.592 174.700 -0.215 0.000 1.126 298 T CA 1.057 62.918 62.100 -0.398 0.000 1.105 298 T CB 0.018 68.432 68.868 -0.756 0.000 0.884 298 T HN 0.586 nan 8.240 nan 0.000 0.522 299 E N 1.034 121.154 120.200 -0.134 0.000 2.285 299 E HA 0.048 4.398 4.350 0.001 0.000 0.194 299 E C 0.767 177.297 176.600 -0.116 0.000 0.997 299 E CA -0.145 56.211 56.400 -0.073 0.000 0.845 299 E CB 0.010 29.701 29.700 -0.015 0.000 0.782 299 E HN 0.401 nan 8.360 nan 0.000 0.491 300 N N 1.365 119.946 118.700 -0.198 0.000 2.475 300 N HA -0.009 4.732 4.740 0.001 0.000 0.267 300 N C -2.048 173.313 175.510 -0.248 0.000 1.169 300 N CA -1.646 51.269 53.050 -0.225 0.000 0.947 300 N CB 1.199 39.490 38.487 -0.327 0.000 1.061 300 N HN -0.225 nan 8.380 nan 0.000 0.466 301 P HA -0.126 nan 4.420 nan 0.000 0.217 301 P C 0.617 177.813 177.300 -0.172 0.000 1.148 301 P CA 1.366 64.383 63.100 -0.138 0.000 0.828 301 P CB 0.397 32.063 31.700 -0.057 0.000 0.783 302 E N -0.927 119.168 120.200 -0.176 0.000 2.028 302 E HA -0.107 4.243 4.350 0.001 0.000 0.190 302 E C 1.951 178.179 176.600 -0.620 0.000 0.984 302 E CA 0.993 57.303 56.400 -0.150 0.000 0.800 302 E CB -0.534 29.306 29.700 0.234 0.000 0.758 302 E HN -0.032 nan 8.360 nan 0.000 0.448 303 V N 1.664 120.936 119.914 -1.070 0.000 2.332 303 V HA -0.302 3.819 4.120 0.001 0.000 0.248 303 V C 2.347 178.088 176.094 -0.589 0.000 1.055 303 V CA 2.019 63.634 62.300 -1.142 0.000 1.038 303 V CB -0.488 30.754 31.823 -0.969 0.000 0.651 303 V HN 0.233 nan 8.190 nan 0.000 0.450 304 K N 0.417 120.539 120.400 -0.463 0.000 2.009 304 K HA -0.290 4.031 4.320 0.001 0.000 0.210 304 K C 2.219 178.413 176.600 -0.677 0.000 1.049 304 K CA 2.172 58.166 56.287 -0.489 0.000 0.929 304 K CB -0.232 31.965 32.500 -0.504 0.000 0.714 304 K HN 0.372 nan 8.250 nan 0.000 0.440 305 E N -0.099 119.858 120.200 -0.405 0.000 2.118 305 E HA -0.224 4.126 4.350 0.001 0.000 0.195 305 E C 1.794 178.370 176.600 -0.040 0.000 0.992 305 E CA 1.444 57.741 56.400 -0.171 0.000 0.804 305 E CB -0.441 29.243 29.700 -0.028 0.000 0.741 305 E HN 0.501 nan 8.360 nan 0.000 0.458 306 Y N 0.456 120.659 120.300 -0.161 0.000 2.114 306 Y HA -0.148 4.403 4.550 0.001 0.000 0.284 306 Y C 1.942 177.788 175.900 -0.090 0.000 1.143 306 Y CA 2.027 60.107 58.100 -0.034 0.000 1.135 306 Y CB -0.208 38.259 38.460 0.012 0.000 0.980 306 Y HN 0.035 nan 8.280 nan 0.000 0.499 307 L N -1.139 119.993 121.223 -0.152 0.000 2.083 307 L HA -0.233 4.108 4.340 0.001 0.000 0.209 307 L C 2.426 179.225 176.870 -0.118 0.000 1.083 307 L CA 1.392 55.985 54.840 -0.411 0.000 0.752 307 L CB -0.879 40.744 42.059 -0.726 0.000 0.899 307 L HN 0.272 nan 8.230 nan 0.000 0.433 308 F N 0.404 120.259 119.950 -0.159 0.000 2.171 308 F HA -0.239 4.289 4.527 0.001 0.000 0.300 308 F C 2.383 178.185 175.800 0.004 0.000 1.090 308 F CA 0.492 58.464 58.000 -0.046 0.000 1.293 308 F CB -0.125 38.831 39.000 -0.073 0.000 1.013 308 F HN 0.184 nan 8.300 nan 0.000 0.486 309 D N 0.093 120.580 120.400 0.144 0.000 2.144 309 D HA -0.122 4.519 4.640 0.001 0.000 0.200 309 D C 2.321 178.683 176.300 0.103 0.000 0.978 309 D CA 0.812 54.858 54.000 0.077 0.000 0.833 309 D CB -0.319 40.462 40.800 -0.033 0.000 0.961 309 D HN 0.032 nan 8.370 nan 0.000 0.470 310 V N 1.365 121.292 119.914 0.022 0.000 2.332 310 V HA -0.261 3.859 4.120 0.001 0.000 0.248 310 V C 2.519 178.982 176.094 0.615 0.000 1.055 310 V CA 1.798 64.246 62.300 0.246 0.000 1.038 310 V CB -0.750 31.175 31.823 0.170 0.000 0.651 310 V HN 0.177 nan 8.190 nan 0.000 0.450 311 A N -0.056 123.066 122.820 0.504 0.000 1.877 311 A HA -0.217 4.104 4.320 0.001 0.000 0.216 311 A C 2.387 180.373 177.584 0.669 0.000 1.186 311 A CA 1.718 54.165 52.037 0.683 0.000 0.620 311 A CB -0.514 18.739 19.000 0.422 0.000 0.822 311 A HN 0.468 nan 8.150 nan 0.000 0.443 312 R N -1.655 119.085 120.500 0.400 0.000 2.096 312 R HA -0.194 4.146 4.340 0.001 0.000 0.240 312 R C 2.092 178.568 176.300 0.293 0.000 1.139 312 R CA 1.768 58.041 56.100 0.288 0.000 0.952 312 R CB -0.836 29.578 30.300 0.189 0.000 0.854 312 R HN 0.674 nan 8.270 nan 0.000 0.436 313 F N 0.102 120.133 119.950 0.135 0.000 2.091 313 F HA -0.270 4.258 4.527 0.001 0.000 0.299 313 F C 1.761 177.517 175.800 -0.073 0.000 1.103 313 F CA 1.586 59.554 58.000 -0.053 0.000 1.228 313 F CB -0.268 38.608 39.000 -0.207 0.000 0.984 313 F HN 0.011 nan 8.300 nan 0.000 0.477 314 W N 0.142 121.480 121.300 0.064 0.000 2.476 314 W HA -0.032 4.629 4.660 0.001 0.000 0.281 314 W C 2.345 178.883 176.519 0.032 0.000 1.230 314 W CA 0.718 58.021 57.345 -0.070 0.000 1.287 314 W CB -0.316 29.285 29.460 0.235 0.000 1.108 314 W HN -0.023 nan 8.180 nan 0.000 0.567 315 M N -0.110 119.721 119.600 0.384 0.000 2.296 315 M HA -0.149 4.332 4.480 0.001 0.000 0.265 315 M C 1.519 177.898 176.300 0.131 0.000 1.064 315 M CA 1.485 56.941 55.300 0.260 0.000 1.109 315 M CB -0.544 32.244 32.600 0.313 0.000 1.396 315 M HN 0.073 nan 8.290 nan 0.000 0.430 316 E N 0.196 120.434 120.200 0.063 0.000 2.265 316 E HA -0.170 4.180 4.350 0.001 0.000 0.196 316 E C 1.848 178.430 176.600 -0.030 0.000 0.996 316 E CA 0.688 57.093 56.400 0.008 0.000 0.832 316 E CB 0.038 29.732 29.700 -0.009 0.000 0.756 316 E HN 0.481 nan 8.360 nan 0.000 0.491 317 Q N -0.768 118.993 119.800 -0.065 0.000 2.472 317 Q HA 0.015 4.356 4.340 0.001 0.000 0.208 317 Q C 1.267 177.306 176.000 0.064 0.000 0.958 317 Q CA 0.928 56.726 55.803 -0.009 0.000 0.932 317 Q CB 0.920 29.696 28.738 0.062 0.000 1.007 317 Q HN 0.422 nan 8.270 nan 0.000 0.508 318 G N 1.581 110.431 108.800 0.083 0.000 2.144 318 G HA2 -0.236 3.725 3.960 0.001 0.000 0.218 318 G HA3 -0.236 3.725 3.960 0.001 0.000 0.218 318 G C 0.345 175.308 174.900 0.104 0.000 0.988 318 G CA 0.218 45.375 45.100 0.095 0.000 0.659 318 G HN 0.439 nan 8.290 nan 0.000 0.522 319 I N -2.515 118.118 120.570 0.105 0.000 3.060 319 I HA 0.476 4.647 4.170 0.001 0.000 0.285 319 I C 0.552 176.697 176.117 0.046 0.000 1.190 319 I CA -0.141 61.187 61.300 0.046 0.000 1.363 319 I CB 0.549 38.531 38.000 -0.030 0.000 1.396 319 I HN -0.103 nan 8.210 nan 0.000 0.607 320 D N 2.305 122.726 120.400 0.036 0.000 2.398 320 D HA 0.331 4.972 4.640 0.001 0.000 0.210 320 D C 0.533 176.952 176.300 0.198 0.000 1.094 320 D CA 0.375 54.428 54.000 0.087 0.000 0.839 320 D CB 1.147 41.926 40.800 -0.034 0.000 0.963 320 D HN 0.902 nan 8.370 nan 0.000 0.506 321 G N 0.216 109.041 108.800 0.041 0.000 2.321 321 G HA2 0.280 4.241 3.960 0.001 0.000 0.298 321 G HA3 0.280 4.241 3.960 0.001 0.000 0.298 321 G C -2.193 172.651 174.900 -0.093 0.000 1.385 321 G CA -1.118 44.051 45.100 0.116 0.000 0.856 321 G HN -0.003 nan 8.290 nan 0.000 0.584 322 W N -0.337 121.071 121.300 0.181 0.000 2.781 322 W HA 0.829 5.490 4.660 0.001 0.000 0.345 322 W C 0.076 176.547 176.519 -0.080 0.000 1.085 322 W CA -0.945 56.465 57.345 0.109 0.000 1.198 322 W CB 1.905 31.478 29.460 0.188 0.000 1.423 322 W HN 0.391 nan 8.180 nan 0.000 0.532 323 R N 2.629 123.207 120.500 0.131 0.000 2.360 323 R HA 0.483 4.823 4.340 0.001 0.000 0.318 323 R C -1.025 175.140 176.300 -0.225 0.000 0.950 323 R CA -0.756 55.227 56.100 -0.195 0.000 0.837 323 R CB 0.576 30.812 30.300 -0.107 0.000 1.165 323 R HN 0.643 nan 8.270 nan 0.000 0.458 324 L N 2.461 123.388 121.223 -0.494 0.000 2.371 324 L HA 0.336 4.677 4.340 0.001 0.000 0.272 324 L C 0.755 177.350 176.870 -0.457 0.000 1.124 324 L CA -0.202 54.298 54.840 -0.567 0.000 0.816 324 L CB 0.829 42.293 42.059 -0.992 0.000 1.129 324 L HN 0.354 nan 8.230 nan 0.000 0.448 325 D N 1.873 122.095 120.400 -0.296 0.000 2.217 325 D HA 0.191 4.832 4.640 0.001 0.000 0.243 325 D C 0.329 176.531 176.300 -0.164 0.000 1.054 325 D CA -0.480 53.416 54.000 -0.173 0.000 0.838 325 D CB 2.075 42.876 40.800 0.002 0.000 1.162 325 D HN 0.352 nan 8.370 nan 0.000 0.472 326 V N 3.236 123.022 119.914 -0.213 0.000 5.175 326 V HA -0.335 3.786 4.120 0.001 0.000 0.279 326 V C 1.736 177.746 176.094 -0.139 0.000 0.571 326 V CA 1.106 63.303 62.300 -0.172 0.000 0.694 326 V CB -2.159 29.653 31.823 -0.019 0.000 0.525 326 V HN 0.730 nan 8.190 nan 0.000 1.093 327 A N 1.495 124.147 122.820 -0.280 0.000 1.972 327 A HA -0.178 4.143 4.320 0.001 0.000 0.219 327 A C 1.896 179.477 177.584 -0.003 0.000 1.169 327 A CA 1.709 53.661 52.037 -0.141 0.000 0.635 327 A CB -0.397 18.086 19.000 -0.861 0.000 0.810 327 A HN 1.046 nan 8.150 nan 0.000 0.446 328 N N -0.008 118.479 118.700 -0.355 0.000 2.571 328 N HA -0.085 4.656 4.740 0.001 0.000 0.189 328 N C 0.658 176.237 175.510 0.115 0.000 1.154 328 N CA 1.062 53.893 53.050 -0.365 0.000 0.907 328 N CB -0.297 37.792 38.487 -0.663 0.000 0.977 328 N HN 0.656 nan 8.380 nan 0.000 0.449 329 E N -0.139 120.124 120.200 0.105 0.000 2.526 329 E HA 0.096 4.446 4.350 0.001 0.000 0.208 329 E C -0.209 176.450 176.600 0.097 0.000 0.997 329 E CA -0.300 56.168 56.400 0.113 0.000 0.961 329 E CB 1.053 30.777 29.700 0.039 0.000 1.030 329 E HN 0.266 nan 8.360 nan 0.000 0.483 330 V N 0.719 120.722 119.914 0.147 0.000 2.630 330 V HA 0.236 4.357 4.120 0.001 0.000 0.305 330 V C -0.430 175.687 176.094 0.038 0.000 1.046 330 V CA -1.088 61.161 62.300 -0.085 0.000 0.934 330 V CB 1.600 33.113 31.823 -0.517 0.000 1.003 330 V HN 0.103 nan 8.190 nan 0.000 0.451 331 D N 2.979 123.368 120.400 -0.018 0.000 2.419 331 D HA -0.051 4.590 4.640 0.001 0.000 0.236 331 D C 0.598 177.044 176.300 0.244 0.000 1.165 331 D CA 0.365 54.464 54.000 0.166 0.000 0.882 331 D CB 0.607 41.476 40.800 0.115 0.000 1.201 331 D HN 0.760 nan 8.370 nan 0.000 0.443 332 H N 1.343 120.553 119.070 0.234 0.000 2.387 332 H HA -0.013 4.544 4.556 0.001 0.000 0.299 332 H C 2.109 177.576 175.328 0.232 0.000 1.090 332 H CA 2.107 58.324 56.048 0.281 0.000 1.332 332 H CB -0.381 29.438 29.762 0.095 0.000 1.386 332 H HN 0.651 nan 8.280 nan 0.000 0.516 333 A N 0.582 123.567 122.820 0.275 0.000 1.892 333 A HA -0.249 4.072 4.320 0.001 0.000 0.218 333 A C 2.228 179.942 177.584 0.216 0.000 1.188 333 A CA 1.791 53.944 52.037 0.192 0.000 0.631 333 A CB -1.192 17.885 19.000 0.128 0.000 0.822 333 A HN 0.451 nan 8.150 nan 0.000 0.447 334 F N -0.867 119.083 119.950 -0.001 0.000 2.091 334 F HA -0.239 4.289 4.527 0.001 0.000 0.299 334 F C 2.098 177.964 175.800 0.110 0.000 1.103 334 F CA 2.018 59.968 58.000 -0.083 0.000 1.228 334 F CB -0.491 38.236 39.000 -0.456 0.000 0.984 334 F HN 0.439 nan 8.300 nan 0.000 0.477 335 W N 0.320 121.921 121.300 0.501 0.000 2.374 335 W HA -0.107 4.553 4.660 0.001 0.000 0.288 335 W C 2.613 179.289 176.519 0.260 0.000 1.218 335 W CA 0.688 58.280 57.345 0.412 0.000 1.245 335 W CB -0.343 29.292 29.460 0.292 0.000 1.126 335 W HN -0.144 nan 8.180 nan 0.000 0.545 336 R N 0.420 121.150 120.500 0.383 0.000 2.075 336 R HA -0.132 4.209 4.340 0.001 0.000 0.232 336 R C 1.851 178.247 176.300 0.161 0.000 1.126 336 R CA 1.540 57.769 56.100 0.216 0.000 0.963 336 R CB -0.418 29.966 30.300 0.140 0.000 0.858 336 R HN 0.301 nan 8.270 nan 0.000 0.435 337 E N -0.225 120.072 120.200 0.161 0.000 2.152 337 E HA -0.168 4.183 4.350 0.001 0.000 0.192 337 E C 1.600 178.115 176.600 -0.141 0.000 0.983 337 E CA 0.697 57.137 56.400 0.067 0.000 0.818 337 E CB -0.086 29.740 29.700 0.211 0.000 0.758 337 E HN 0.171 nan 8.360 nan 0.000 0.467 338 F N 2.045 121.871 119.950 -0.206 0.000 2.095 338 F HA -0.202 4.325 4.527 0.001 0.000 0.298 338 F C 2.379 178.080 175.800 -0.164 0.000 1.104 338 F CA 1.667 59.453 58.000 -0.357 0.000 1.232 338 F CB -0.111 39.018 39.000 0.215 0.000 0.987 338 F HN -0.199 nan 8.300 nan 0.000 0.475 339 R N 0.154 120.714 120.500 0.099 0.000 2.081 339 R HA -0.194 4.147 4.340 0.001 0.000 0.235 339 R C 2.600 178.842 176.300 -0.098 0.000 1.131 339 R CA 1.686 57.788 56.100 0.004 0.000 0.960 339 R CB -0.420 29.943 30.300 0.105 0.000 0.856 339 R HN 0.258 nan 8.270 nan 0.000 0.436 340 R N 0.563 121.007 120.500 -0.093 0.000 2.081 340 R HA -0.138 4.203 4.340 0.001 0.000 0.235 340 R C 2.417 178.622 176.300 -0.160 0.000 1.131 340 R CA 1.566 57.608 56.100 -0.096 0.000 0.960 340 R CB -0.356 29.905 30.300 -0.065 0.000 0.856 340 R HN 0.349 nan 8.270 nan 0.000 0.436 341 L N 0.424 121.469 121.223 -0.297 0.000 1.976 341 L HA -0.189 4.152 4.340 0.001 0.000 0.209 341 L C 2.192 178.909 176.870 -0.255 0.000 1.071 341 L CA 1.506 56.148 54.840 -0.330 0.000 0.746 341 L CB -0.424 41.269 42.059 -0.610 0.000 0.890 341 L HN 0.065 nan 8.230 nan 0.000 0.432 342 V N 0.569 120.258 119.914 -0.374 0.000 2.231 342 V HA -0.354 3.767 4.120 0.001 0.000 0.250 342 V C 2.695 178.742 176.094 -0.077 0.000 1.058 342 V CA 2.194 64.349 62.300 -0.243 0.000 1.022 342 V CB -0.774 30.825 31.823 -0.374 0.000 0.640 342 V HN 0.475 nan 8.190 nan 0.000 0.445 343 K N 0.718 121.078 120.400 -0.067 0.000 2.211 343 K HA -0.080 4.241 4.320 0.001 0.000 0.203 343 K C 2.390 178.990 176.600 -0.001 0.000 1.050 343 K CA 1.564 57.848 56.287 -0.004 0.000 0.945 343 K CB -0.673 31.832 32.500 0.008 0.000 0.732 343 K HN 0.707 nan 8.250 nan 0.000 0.451 344 S N 0.888 116.572 115.700 -0.026 0.000 2.402 344 S HA -0.088 4.383 4.470 0.001 0.000 0.229 344 S C 2.028 176.630 174.600 0.003 0.000 1.021 344 S CA 0.621 58.814 58.200 -0.012 0.000 0.974 344 S CB -0.262 62.922 63.200 -0.027 0.000 0.800 344 S HN 0.045 nan 8.310 nan 0.000 0.484 345 L N 1.748 122.972 121.223 0.002 0.000 2.131 345 L HA 0.332 4.673 4.340 0.001 0.000 0.206 345 L C 0.887 177.786 176.870 0.047 0.000 1.087 345 L CA 1.193 56.050 54.840 0.029 0.000 0.767 345 L CB -0.612 41.473 42.059 0.043 0.000 0.917 345 L HN 0.586 nan 8.230 nan 0.000 0.441 346 N N -1.675 117.059 118.700 0.057 0.000 2.699 346 N HA 0.143 4.884 4.740 0.001 0.000 0.271 346 N C -2.349 173.214 175.510 0.089 0.000 1.216 346 N CA -0.935 52.160 53.050 0.076 0.000 0.844 346 N CB 1.681 40.226 38.487 0.098 0.000 1.462 346 N HN -0.242 nan 8.380 nan 0.000 0.555 347 P HA -0.080 nan 4.420 nan 0.000 0.221 347 P C -0.106 177.266 177.300 0.120 0.000 1.145 347 P CA 1.050 64.199 63.100 0.081 0.000 0.795 347 P CB 0.215 31.954 31.700 0.065 0.000 0.775 348 D N -1.182 119.322 120.400 0.173 0.000 2.342 348 D HA 0.157 4.798 4.640 0.001 0.000 0.221 348 D C 0.502 177.065 176.300 0.439 0.000 1.101 348 D CA 0.021 54.207 54.000 0.311 0.000 0.837 348 D CB 0.300 41.331 40.800 0.385 0.000 0.938 348 D HN 0.095 nan 8.370 nan 0.000 0.508 349 A N 1.132 124.121 122.820 0.282 0.000 2.409 349 A HA 0.333 4.654 4.320 0.001 0.000 0.262 349 A C -0.180 177.569 177.584 0.276 0.000 1.113 349 A CA -0.317 51.900 52.037 0.300 0.000 0.790 349 A CB 0.566 19.702 19.000 0.227 0.000 1.046 349 A HN 0.184 nan 8.150 nan 0.000 0.496 350 L N 3.212 124.634 121.223 0.331 0.000 2.334 350 L HA 0.599 4.940 4.340 0.001 0.000 0.277 350 L C -0.493 176.507 176.870 0.217 0.000 1.075 350 L CA -0.024 54.941 54.840 0.209 0.000 0.804 350 L CB 0.978 43.156 42.059 0.199 0.000 1.174 350 L HN 0.586 nan 8.230 nan 0.000 0.438 351 I N 5.848 126.496 120.570 0.130 0.000 2.437 351 I HA 0.347 4.518 4.170 0.001 0.000 0.279 351 I C -1.010 175.026 176.117 -0.135 0.000 1.028 351 I CA -0.660 60.705 61.300 0.107 0.000 1.142 351 I CB 1.449 39.578 38.000 0.214 0.000 1.266 351 I HN 0.199 nan 8.210 nan 0.000 0.461 352 V N 4.857 124.557 119.914 -0.357 0.000 2.459 352 V HA 0.714 4.835 4.120 0.001 0.000 0.295 352 V C 0.636 176.203 176.094 -0.879 0.000 1.029 352 V CA -0.431 61.457 62.300 -0.686 0.000 0.874 352 V CB 1.688 32.812 31.823 -1.165 0.000 0.985 352 V HN 0.826 nan 8.190 nan 0.000 0.438 353 G N 2.397 110.600 108.800 -0.995 0.000 2.509 353 G HA2 0.668 4.629 3.960 0.001 0.000 0.328 353 G HA3 0.668 4.629 3.960 0.001 0.000 0.328 353 G C -0.977 173.398 174.900 -0.877 0.000 1.194 353 G CA -0.428 43.935 45.100 -1.227 0.000 0.967 353 G HN 0.692 nan 8.290 nan 0.000 0.488 354 E N 0.308 119.980 120.200 -0.880 0.000 2.331 354 E HA 0.358 4.709 4.350 0.001 0.000 0.243 354 E C -0.877 175.086 176.600 -1.062 0.000 0.925 354 E CA -0.563 55.291 56.400 -0.910 0.000 0.760 354 E CB 0.557 29.761 29.700 -0.826 0.000 1.254 354 E HN 0.191 nan 8.360 nan 0.000 0.419 355 I N 3.589 123.604 120.570 -0.925 0.000 2.433 355 I HA 0.211 4.382 4.170 0.001 0.000 0.292 355 I C -0.100 175.626 176.117 -0.651 0.000 1.001 355 I CA -0.746 60.052 61.300 -0.838 0.000 1.119 355 I CB 1.000 38.556 38.000 -0.740 0.000 1.289 355 I HN 0.712 nan 8.210 nan 0.000 0.438 356 W N 5.344 126.403 121.300 -0.401 0.000 3.314 356 W HA 0.173 4.834 4.660 0.001 0.000 0.419 356 W C 0.471 176.720 176.519 -0.450 0.000 1.021 356 W CA -0.405 56.550 57.345 -0.650 0.000 1.935 356 W CB -0.060 29.131 29.460 -0.448 0.000 1.008 356 W HN 0.701 nan 8.180 nan 0.000 0.803 357 H N -4.145 114.985 119.070 0.099 0.000 2.902 357 H HA 0.166 4.723 4.556 0.001 0.000 0.297 357 H C -0.724 174.864 175.328 0.433 0.000 1.406 357 H CA -1.327 54.909 56.048 0.312 0.000 1.134 357 H CB 0.207 30.101 29.762 0.220 0.000 1.833 357 H HN -0.295 nan 8.280 nan 0.000 0.527 358 D N 0.158 120.886 120.400 0.546 0.000 2.554 358 D HA 0.050 4.690 4.640 0.001 0.000 0.251 358 D C 0.435 177.040 176.300 0.508 0.000 1.213 358 D CA 0.967 55.248 54.000 0.467 0.000 0.900 358 D CB 0.358 41.364 40.800 0.343 0.000 1.135 358 D HN 0.729 nan 8.370 nan 0.000 0.522 359 A N 3.218 126.406 122.820 0.613 0.000 2.507 359 A HA 0.077 4.397 4.320 0.001 0.000 0.270 359 A C 1.913 179.859 177.584 0.605 0.000 1.318 359 A CA 0.373 52.754 52.037 0.572 0.000 0.924 359 A CB -0.229 18.885 19.000 0.190 0.000 1.061 359 A HN 0.554 nan 8.150 nan 0.000 0.516 360 S N -0.385 115.712 115.700 0.661 0.000 2.374 360 S HA -0.144 4.326 4.470 0.001 0.000 0.227 360 S C 1.973 176.691 174.600 0.198 0.000 1.037 360 S CA 1.588 60.075 58.200 0.478 0.000 1.024 360 S CB -1.058 62.331 63.200 0.315 0.000 0.861 360 S HN 0.726 nan 8.310 nan 0.000 0.456 361 G N -0.188 108.633 108.800 0.035 0.000 2.479 361 G HA2 -0.128 3.833 3.960 0.001 0.000 0.220 361 G HA3 -0.128 3.833 3.960 0.001 0.000 0.220 361 G C 1.036 175.750 174.900 -0.309 0.000 1.115 361 G CA 0.548 45.512 45.100 -0.226 0.000 0.757 361 G HN 0.636 nan 8.290 nan 0.000 0.560 362 W N -0.361 120.884 121.300 -0.092 0.000 3.177 362 W HA 0.417 5.078 4.660 0.001 0.000 0.309 362 W C 0.752 177.052 176.519 -0.365 0.000 1.224 362 W CA -0.224 56.867 57.345 -0.423 0.000 1.718 362 W CB 0.220 29.265 29.460 -0.692 0.000 1.078 362 W HN 0.074 nan 8.180 nan 0.000 0.618 363 L N 0.728 121.970 121.223 0.032 0.000 3.094 363 L HA 0.155 4.495 4.340 0.001 0.000 0.254 363 L C 1.525 178.430 176.870 0.058 0.000 1.298 363 L CA -0.229 54.642 54.840 0.052 0.000 1.050 363 L CB -0.052 42.013 42.059 0.011 0.000 1.420 363 L HN -0.216 nan 8.230 nan 0.000 0.548 364 M N -0.416 119.093 119.600 -0.153 0.000 2.514 364 M HA 0.228 4.709 4.480 0.001 0.000 0.258 364 M C 1.590 177.503 176.300 -0.644 0.000 1.119 364 M CA 0.879 56.062 55.300 -0.196 0.000 1.111 364 M CB -0.011 32.517 32.600 -0.119 0.000 1.390 364 M HN 0.471 nan 8.290 nan 0.000 0.475 365 G N 0.901 108.968 108.800 -1.222 0.000 2.296 365 G HA2 -0.181 3.780 3.960 0.001 0.000 0.188 365 G HA3 -0.181 3.780 3.960 0.001 0.000 0.188 365 G C 0.289 174.781 174.900 -0.681 0.000 1.000 365 G CA 0.315 44.344 45.100 -1.785 0.000 0.672 365 G HN 0.505 nan 8.290 nan 0.000 0.483 366 D N 0.024 120.182 120.400 -0.403 0.000 2.363 366 D HA 0.270 4.910 4.640 0.001 0.000 0.214 366 D C 1.215 177.447 176.300 -0.113 0.000 1.093 366 D CA 0.514 54.402 54.000 -0.186 0.000 0.837 366 D CB 0.288 41.020 40.800 -0.114 0.000 0.948 366 D HN 0.546 nan 8.370 nan 0.000 0.507 367 Q N -0.738 118.955 119.800 -0.179 0.000 1.843 367 Q HA 0.331 4.672 4.340 0.001 0.000 0.158 367 Q C -0.151 175.840 176.000 -0.015 0.000 0.469 367 Q CA -0.435 55.288 55.803 -0.134 0.000 0.656 367 Q CB 0.752 29.285 28.738 -0.343 0.000 1.214 367 Q HN 0.088 nan 8.270 nan 0.000 0.292 368 F N 1.440 121.361 119.950 -0.050 0.000 2.380 368 F HA 0.195 4.723 4.527 0.001 0.000 0.321 368 F C 0.965 176.763 175.800 -0.004 0.000 1.103 368 F CA -0.844 57.095 58.000 -0.102 0.000 1.067 368 F CB 0.728 39.576 39.000 -0.254 0.000 1.265 368 F HN 0.251 nan 8.300 nan 0.000 0.517 369 D N -0.231 120.291 120.400 0.203 0.000 2.271 369 D HA 0.020 4.661 4.640 0.001 0.000 0.206 369 D C 0.455 176.797 176.300 0.070 0.000 0.967 369 D CA 0.953 55.063 54.000 0.185 0.000 0.867 369 D CB 0.441 41.285 40.800 0.073 0.000 0.960 369 D HN 0.477 nan 8.370 nan 0.000 0.509 370 S N -1.204 114.468 115.700 -0.047 0.000 2.660 370 S HA 0.460 4.931 4.470 0.001 0.000 0.264 370 S C -0.949 173.466 174.600 -0.308 0.000 1.131 370 S CA -0.674 57.423 58.200 -0.171 0.000 0.846 370 S CB 1.408 64.496 63.200 -0.186 0.000 1.151 370 S HN 0.016 nan 8.310 nan 0.000 0.486 371 V N -2.237 117.468 119.914 -0.348 0.000 3.165 371 V HA 0.733 4.854 4.120 0.001 0.000 0.309 371 V C -0.566 175.330 176.094 -0.330 0.000 1.267 371 V CA -1.444 60.600 62.300 -0.426 0.000 1.067 371 V CB 1.580 33.201 31.823 -0.337 0.000 1.082 371 V HN 0.987 nan 8.190 nan 0.000 0.451 372 M N 2.897 122.326 119.600 -0.285 0.000 2.239 372 M HA 0.268 4.749 4.480 0.001 0.000 0.348 372 M C 0.300 176.686 176.300 0.143 0.000 1.239 372 M CA 0.316 55.599 55.300 -0.028 0.000 1.114 372 M CB -0.447 32.183 32.600 0.050 0.000 1.641 372 M HN 0.853 nan 8.290 nan 0.000 0.453 373 N N 3.484 122.282 118.700 0.164 0.000 3.124 373 N HA -0.014 4.727 4.740 0.001 0.000 0.284 373 N C 0.712 176.393 175.510 0.284 0.000 1.209 373 N CA -0.042 53.115 53.050 0.179 0.000 1.149 373 N CB -0.114 38.430 38.487 0.095 0.000 1.434 373 N HN 0.573 nan 8.380 nan 0.000 0.529 374 Y N 0.060 120.535 120.300 0.291 0.000 2.315 374 Y HA -0.146 4.405 4.550 0.001 0.000 0.288 374 Y C 1.452 177.476 175.900 0.207 0.000 1.154 374 Y CA 0.441 58.700 58.100 0.264 0.000 1.229 374 Y CB -0.082 38.565 38.460 0.311 0.000 0.980 374 Y HN 0.140 nan 8.280 nan 0.000 0.540 375 L N 0.181 121.145 121.223 -0.432 0.000 2.046 375 L HA -0.137 4.204 4.340 0.001 0.000 0.208 375 L C 2.404 179.276 176.870 0.003 0.000 1.077 375 L CA 1.418 56.056 54.840 -0.337 0.000 0.747 375 L CB -1.672 40.167 42.059 -0.366 0.000 0.896 375 L HN 0.478 nan 8.230 nan 0.000 0.432 376 F N 0.752 120.684 119.950 -0.029 0.000 2.095 376 F HA -0.273 4.255 4.527 0.001 0.000 0.298 376 F C 2.795 178.650 175.800 0.093 0.000 1.104 376 F CA 1.938 59.975 58.000 0.061 0.000 1.232 376 F CB -0.255 38.809 39.000 0.107 0.000 0.987 376 F HN 0.050 nan 8.300 nan 0.000 0.475 377 R N 0.612 121.329 120.500 0.363 0.000 2.073 377 R HA -0.174 4.167 4.340 0.001 0.000 0.234 377 R C 2.185 178.537 176.300 0.087 0.000 1.134 377 R CA 2.147 58.373 56.100 0.211 0.000 0.952 377 R CB -0.638 29.807 30.300 0.241 0.000 0.850 377 R HN 0.447 nan 8.270 nan 0.000 0.433 378 E N -0.100 120.151 120.200 0.085 0.000 2.070 378 E HA -0.185 4.166 4.350 0.001 0.000 0.197 378 E C 2.039 178.658 176.600 0.031 0.000 1.004 378 E CA 1.881 58.315 56.400 0.057 0.000 0.805 378 E CB -0.056 29.671 29.700 0.045 0.000 0.744 378 E HN 0.374 nan 8.360 nan 0.000 0.451 379 S N 0.303 115.997 115.700 -0.010 0.000 2.402 379 S HA -0.104 4.367 4.470 0.001 0.000 0.229 379 S C 2.159 176.815 174.600 0.094 0.000 1.021 379 S CA 0.783 58.991 58.200 0.013 0.000 0.974 379 S CB -0.020 63.119 63.200 -0.101 0.000 0.800 379 S HN 0.055 nan 8.310 nan 0.000 0.484 380 V N 2.030 121.943 119.914 -0.001 0.000 2.453 380 V HA -0.075 4.046 4.120 0.001 0.000 0.247 380 V C 2.153 178.420 176.094 0.287 0.000 1.048 380 V CA 0.983 63.342 62.300 0.099 0.000 1.049 380 V CB -0.545 31.168 31.823 -0.183 0.000 0.672 380 V HN 0.414 nan 8.190 nan 0.000 0.457 381 I N 0.365 121.090 120.570 0.258 0.000 2.113 381 I HA -0.209 3.962 4.170 0.001 0.000 0.238 381 I C 2.652 178.825 176.117 0.093 0.000 1.070 381 I CA 1.819 63.285 61.300 0.276 0.000 1.332 381 I CB -0.906 37.205 38.000 0.185 0.000 1.044 381 I HN 0.279 nan 8.210 nan 0.000 0.402 382 R N -0.623 119.910 120.500 0.055 0.000 2.148 382 R HA -0.170 4.171 4.340 0.001 0.000 0.227 382 R C 2.093 178.383 176.300 -0.017 0.000 1.103 382 R CA 1.142 57.244 56.100 0.004 0.000 0.983 382 R CB -0.253 30.047 30.300 0.001 0.000 0.874 382 R HN 0.258 nan 8.270 nan 0.000 0.451 383 F N -0.458 119.324 119.950 -0.279 0.000 2.164 383 F HA 0.095 4.623 4.527 0.002 0.000 0.287 383 F C 1.415 176.876 175.800 -0.565 0.000 1.086 383 F CA 0.944 58.589 58.000 -0.591 0.000 1.249 383 F CB -0.272 37.976 39.000 -1.254 0.000 1.059 383 F HN -0.179 nan 8.300 nan 0.000 0.490 384 F N -0.076 119.610 119.950 -0.440 0.000 2.335 384 F HA 0.135 4.663 4.527 0.001 0.000 0.296 384 F C 2.372 177.958 175.800 -0.358 0.000 1.091 384 F CA 0.758 58.461 58.000 -0.495 0.000 1.399 384 F CB -0.675 38.188 39.000 -0.229 0.000 1.067 384 F HN 0.091 nan 8.300 nan 0.000 0.520 385 A N 0.103 122.865 122.820 -0.097 0.000 1.844 385 A HA -0.088 4.233 4.320 0.001 0.000 0.212 385 A C 2.163 179.627 177.584 -0.200 0.000 1.221 385 A CA 1.822 53.699 52.037 -0.267 0.000 0.607 385 A CB -1.255 17.497 19.000 -0.414 0.000 0.878 385 A HN 0.308 nan 8.150 nan 0.000 0.451 386 T N -4.247 110.222 114.554 -0.142 0.000 3.051 386 T HA 0.382 4.733 4.350 0.001 0.000 0.255 386 T C 1.416 176.058 174.700 -0.098 0.000 1.085 386 T CA 1.180 63.215 62.100 -0.108 0.000 1.109 386 T CB -0.030 68.793 68.868 -0.076 0.000 0.921 386 T HN 1.796 nan 8.240 nan 0.000 0.488 387 G N 1.771 110.498 108.800 -0.122 0.000 2.179 387 G HA2 -0.300 3.661 3.960 0.001 0.000 0.257 387 G HA3 -0.300 3.661 3.960 0.001 0.000 0.257 387 G C 0.494 175.363 174.900 -0.053 0.000 1.010 387 G CA 0.523 45.555 45.100 -0.114 0.000 0.736 387 G HN 0.606 nan 8.290 nan 0.000 0.513 388 E N -0.682 119.491 120.200 -0.045 0.000 2.268 388 E HA 0.074 4.425 4.350 0.001 0.000 0.195 388 E C 1.564 178.144 176.600 -0.033 0.000 0.995 388 E CA 1.116 57.498 56.400 -0.030 0.000 0.836 388 E CB 0.035 29.716 29.700 -0.031 0.000 0.763 388 E HN 0.929 nan 8.360 nan 0.000 0.491 389 I N -1.713 118.833 120.570 -0.039 0.000 2.740 389 I HA 0.354 4.525 4.170 0.001 0.000 0.303 389 I C 0.185 176.285 176.117 -0.029 0.000 1.044 389 I CA -1.223 60.012 61.300 -0.108 0.000 1.064 389 I CB 1.681 39.598 38.000 -0.138 0.000 1.249 389 I HN -0.140 nan 8.210 nan 0.000 0.433 390 H N 3.451 122.555 119.070 0.056 0.000 2.523 390 H HA 0.543 5.100 4.556 0.001 0.000 0.345 390 H C 0.894 176.265 175.328 0.071 0.000 1.261 390 H CA -0.408 55.697 56.048 0.095 0.000 1.343 390 H CB 1.330 31.122 29.762 0.049 0.000 1.650 390 H HN 0.810 nan 8.280 nan 0.000 0.591 391 A N 0.733 123.760 122.820 0.345 0.000 1.948 391 A HA -0.239 4.082 4.320 0.001 0.000 0.220 391 A C 2.111 179.764 177.584 0.115 0.000 1.177 391 A CA 2.052 54.169 52.037 0.134 0.000 0.636 391 A CB -0.838 18.333 19.000 0.286 0.000 0.815 391 A HN 0.872 nan 8.150 nan 0.000 0.449 392 E N -1.314 119.074 120.200 0.315 0.000 2.107 392 E HA -0.166 4.185 4.350 0.001 0.000 0.191 392 E C 2.264 178.899 176.600 0.058 0.000 0.982 392 E CA 1.039 57.565 56.400 0.209 0.000 0.809 392 E CB -0.097 29.736 29.700 0.222 0.000 0.756 392 E HN 0.523 nan 8.360 nan 0.000 0.459 393 R N 1.057 121.494 120.500 -0.105 0.000 2.075 393 R HA -0.135 4.205 4.340 0.001 0.000 0.232 393 R C 1.905 178.058 176.300 -0.246 0.000 1.126 393 R CA 1.298 57.233 56.100 -0.275 0.000 0.963 393 R CB -0.896 29.039 30.300 -0.608 0.000 0.858 393 R HN 0.224 nan 8.270 nan 0.000 0.435 394 F N 1.034 120.672 119.950 -0.520 0.000 2.120 394 F HA -0.249 4.279 4.527 0.001 0.000 0.300 394 F C 1.859 177.254 175.800 -0.674 0.000 1.095 394 F CA 2.072 59.613 58.000 -0.764 0.000 1.249 394 F CB -0.353 37.730 39.000 -1.528 0.000 0.995 394 F HN 0.210 nan 8.300 nan 0.000 0.480 395 D N 0.541 120.607 120.400 -0.557 0.000 2.123 395 D HA -0.200 4.440 4.640 0.001 0.000 0.196 395 D C 2.225 178.364 176.300 -0.268 0.000 0.992 395 D CA 1.535 55.293 54.000 -0.404 0.000 0.833 395 D CB -0.395 40.433 40.800 0.046 0.000 0.954 395 D HN 0.366 nan 8.370 nan 0.000 0.455 396 A N 0.721 123.433 122.820 -0.180 0.000 1.858 396 A HA -0.182 4.139 4.320 0.001 0.000 0.216 396 A C 2.137 179.644 177.584 -0.129 0.000 1.190 396 A CA 1.754 53.736 52.037 -0.092 0.000 0.617 396 A CB -0.675 18.297 19.000 -0.047 0.000 0.827 396 A HN 0.363 nan 8.150 nan 0.000 0.443 397 E N -0.554 119.525 120.200 -0.203 0.000 2.058 397 E HA -0.212 4.138 4.350 0.001 0.000 0.194 397 E C 1.920 178.385 176.600 -0.225 0.000 0.997 397 E CA 1.234 57.521 56.400 -0.188 0.000 0.801 397 E CB -0.352 29.225 29.700 -0.205 0.000 0.746 397 E HN 0.411 nan 8.360 nan 0.000 0.450 398 L N 1.015 122.000 121.223 -0.397 0.000 2.012 398 L HA -0.173 4.168 4.340 0.001 0.000 0.210 398 L C 2.465 179.252 176.870 -0.138 0.000 1.073 398 L CA 1.934 56.561 54.840 -0.355 0.000 0.748 398 L CB -0.802 40.823 42.059 -0.724 0.000 0.891 398 L HN 0.125 nan 8.230 nan 0.000 0.431 399 T N -1.422 113.047 114.554 -0.141 0.000 2.737 399 T HA -0.212 4.139 4.350 0.001 0.000 0.265 399 T C 1.984 176.604 174.700 -0.134 0.000 1.038 399 T CA 1.345 63.395 62.100 -0.082 0.000 1.144 399 T CB -0.252 68.603 68.868 -0.020 0.000 0.866 399 T HN 0.258 nan 8.240 nan 0.000 0.434 400 R N 1.333 121.787 120.500 -0.077 0.000 2.080 400 R HA -0.100 4.241 4.340 0.001 0.000 0.236 400 R C 2.602 178.824 176.300 -0.131 0.000 1.137 400 R CA 1.663 57.730 56.100 -0.055 0.000 0.943 400 R CB -0.575 29.746 30.300 0.035 0.000 0.846 400 R HN 0.371 nan 8.270 nan 0.000 0.431 401 A N 1.081 123.838 122.820 -0.106 0.000 1.933 401 A HA -0.178 4.142 4.320 0.001 0.000 0.218 401 A C 2.237 179.753 177.584 -0.113 0.000 1.175 401 A CA 1.428 53.402 52.037 -0.104 0.000 0.628 401 A CB -0.656 18.314 19.000 -0.050 0.000 0.814 401 A HN 0.436 nan 8.150 nan 0.000 0.444 402 R N -0.995 119.443 120.500 -0.105 0.000 2.103 402 R HA -0.129 4.212 4.340 0.001 0.000 0.242 402 R C 1.386 177.571 176.300 -0.191 0.000 1.142 402 R CA 1.793 57.822 56.100 -0.118 0.000 0.960 402 R CB -0.230 29.999 30.300 -0.118 0.000 0.858 402 R HN 0.414 nan 8.270 nan 0.000 0.439 403 M N 0.553 119.964 119.600 -0.316 0.000 2.618 403 M HA -0.033 4.447 4.480 0.001 0.000 0.240 403 M C 1.438 177.543 176.300 -0.325 0.000 1.123 403 M CA 0.380 55.433 55.300 -0.412 0.000 1.060 403 M CB -0.193 31.899 32.600 -0.846 0.000 1.535 403 M HN 0.122 nan 8.290 nan 0.000 0.507 404 L N -0.983 120.038 121.223 -0.336 0.000 2.109 404 L HA -0.035 4.306 4.340 0.001 0.000 0.207 404 L C 0.327 176.833 176.870 -0.606 0.000 1.086 404 L CA 1.458 55.965 54.840 -0.555 0.000 0.760 404 L CB -0.403 41.102 42.059 -0.923 0.000 0.910 404 L HN 0.165 nan 8.230 nan 0.000 0.437 405 Y N -2.704 117.548 120.300 -0.080 0.000 2.662 405 Y HA 0.511 5.061 4.550 0.001 0.000 0.335 405 Y C -2.132 173.652 175.900 -0.194 0.000 1.066 405 Y CA -3.162 54.886 58.100 -0.088 0.000 1.116 405 Y CB -0.245 38.189 38.460 -0.043 0.000 1.308 405 Y HN -0.294 nan 8.280 nan 0.000 0.502 406 P HA 0.017 nan 4.420 nan 0.000 0.269 406 P C 0.424 177.491 177.300 -0.388 0.000 1.209 406 P CA 0.078 62.830 63.100 -0.581 0.000 0.776 406 P CB 0.607 31.795 31.700 -0.854 0.000 0.876 407 E N 1.954 121.996 120.200 -0.264 0.000 2.187 407 E HA -0.340 4.010 4.350 0.001 0.000 0.199 407 E C 1.055 177.493 176.600 -0.271 0.000 1.004 407 E CA 1.492 57.802 56.400 -0.150 0.000 0.813 407 E CB -0.537 29.166 29.700 0.006 0.000 0.736 407 E HN 0.435 nan 8.360 nan 0.000 0.468 408 Q N 0.725 120.270 119.800 -0.426 0.000 2.170 408 Q HA -0.062 4.279 4.340 0.001 0.000 0.203 408 Q C 2.131 177.707 176.000 -0.706 0.000 0.976 408 Q CA 2.024 57.465 55.803 -0.602 0.000 0.858 408 Q CB -0.150 28.075 28.738 -0.856 0.000 0.907 408 Q HN 0.499 nan 8.270 nan 0.000 0.433 409 A N 0.404 122.794 122.820 -0.717 0.000 1.861 409 A HA 0.100 4.421 4.320 0.001 0.000 0.212 409 A C 2.271 179.691 177.584 -0.273 0.000 1.199 409 A CA 1.097 52.858 52.037 -0.459 0.000 0.613 409 A CB -1.049 17.790 19.000 -0.268 0.000 0.846 409 A HN 0.350 nan 8.150 nan 0.000 0.446 410 A N -0.453 122.249 122.820 -0.196 0.000 1.927 410 A HA -0.308 4.013 4.320 0.001 0.000 0.220 410 A C 2.188 179.660 177.584 -0.187 0.000 1.185 410 A CA 2.158 54.117 52.037 -0.130 0.000 0.639 410 A CB -0.634 18.301 19.000 -0.108 0.000 0.820 410 A HN 0.590 nan 8.150 nan 0.000 0.451 411 Q N -0.073 119.596 119.800 -0.219 0.000 2.226 411 Q HA -0.109 4.232 4.340 0.001 0.000 0.204 411 Q C 1.551 177.429 176.000 -0.204 0.000 0.975 411 Q CA 1.868 57.539 55.803 -0.219 0.000 0.866 411 Q CB -0.488 28.122 28.738 -0.213 0.000 0.915 411 Q HN 0.536 nan 8.270 nan 0.000 0.440 412 G N 0.485 109.170 108.800 -0.192 0.000 3.453 412 G HA2 0.270 4.231 3.960 0.001 0.000 0.263 412 G HA3 0.270 4.231 3.960 0.001 0.000 0.263 412 G C -0.149 174.733 174.900 -0.029 0.000 1.060 412 G CA -0.448 44.575 45.100 -0.129 0.000 0.793 412 G HN 0.117 nan 8.290 nan 0.000 0.532 413 L N 0.824 122.003 121.223 -0.074 0.000 2.485 413 L HA 0.242 4.583 4.340 0.001 0.000 0.275 413 L C -0.191 176.743 176.870 0.106 0.000 1.207 413 L CA -0.836 53.989 54.840 -0.026 0.000 0.855 413 L CB 0.116 42.135 42.059 -0.066 0.000 1.114 413 L HN 0.178 nan 8.230 nan 0.000 0.485 414 W N 3.795 124.973 121.300 -0.203 0.000 2.437 414 W HA 0.230 4.891 4.660 0.001 0.000 0.312 414 W C 0.144 176.516 176.519 -0.245 0.000 1.242 414 W CA -0.798 56.419 57.345 -0.213 0.000 1.340 414 W CB -0.485 28.859 29.460 -0.193 0.000 1.327 414 W HN 0.387 nan 8.180 nan 0.000 0.476 415 N N 5.498 124.053 118.700 -0.242 0.000 2.469 415 N HA 0.205 4.946 4.740 0.001 0.000 0.239 415 N C -0.297 174.957 175.510 -0.426 0.000 1.053 415 N CA -0.267 52.391 53.050 -0.653 0.000 0.937 415 N CB 0.550 38.135 38.487 -1.503 0.000 1.163 415 N HN 0.390 nan 8.380 nan 0.000 0.509 416 L N -1.164 120.015 121.223 -0.073 0.000 2.375 416 L HA 0.563 4.904 4.340 0.001 0.000 0.268 416 L C 0.555 177.517 176.870 0.154 0.000 1.058 416 L CA -0.830 54.039 54.840 0.049 0.000 0.803 416 L CB 1.153 43.283 42.059 0.117 0.000 1.212 416 L HN 0.215 nan 8.230 nan 0.000 0.451 417 L N 0.231 121.477 121.223 0.038 0.000 2.513 417 L HA 0.261 4.602 4.340 0.001 0.000 0.222 417 L C -0.495 176.360 176.870 -0.025 0.000 1.096 417 L CA 0.237 54.987 54.840 -0.150 0.000 0.857 417 L CB -0.162 41.635 42.059 -0.438 0.000 1.026 417 L HN 0.946 nan 8.230 nan 0.000 0.469 418 D N -2.649 117.758 120.400 0.011 0.000 2.893 418 D HA 0.392 5.033 4.640 0.001 0.000 0.346 418 D C -0.666 175.522 176.300 -0.188 0.000 1.402 418 D CA -0.269 53.700 54.000 -0.051 0.000 0.815 418 D CB 0.729 41.499 40.800 -0.050 0.000 1.403 418 D HN -0.095 nan 8.370 nan 0.000 0.484 419 S N -2.257 113.210 115.700 -0.389 0.000 2.727 419 S HA 0.398 4.869 4.470 0.001 0.000 0.278 419 S C 0.314 174.578 174.600 -0.560 0.000 1.186 419 S CA -0.457 57.513 58.200 -0.383 0.000 0.836 419 S CB 0.619 63.889 63.200 0.117 0.000 1.186 419 S HN 0.904 nan 8.310 nan 0.000 0.499 420 H N -0.035 118.843 119.070 -0.319 0.000 2.559 420 H HA 0.270 4.827 4.556 0.001 0.000 0.273 420 H C -0.187 175.061 175.328 -0.133 0.000 1.000 420 H CA 0.835 56.781 56.048 -0.170 0.000 1.195 420 H CB -0.615 29.051 29.762 -0.159 0.000 1.368 420 H HN 0.560 nan 8.280 nan 0.000 0.592 421 D N 0.985 121.179 120.400 -0.344 0.000 2.402 421 D HA 0.075 4.716 4.640 0.001 0.000 0.216 421 D C 0.575 176.766 176.300 -0.183 0.000 1.128 421 D CA 0.472 54.292 54.000 -0.299 0.000 0.833 421 D CB 0.919 41.523 40.800 -0.327 0.000 0.971 421 D HN 0.562 nan 8.370 nan 0.000 0.503 422 T N -2.261 112.192 114.554 -0.169 0.000 2.865 422 T HA 0.432 4.783 4.350 0.001 0.000 0.294 422 T C -0.330 174.306 174.700 -0.106 0.000 1.119 422 T CA -0.924 61.101 62.100 -0.124 0.000 1.007 422 T CB 2.533 71.335 68.868 -0.109 0.000 1.225 422 T HN -0.004 nan 8.240 nan 0.000 0.515 423 E N 1.027 121.192 120.200 -0.059 0.000 2.392 423 E HA 0.354 4.705 4.350 0.001 0.000 0.259 423 E C -0.271 176.329 176.600 -0.000 0.000 1.108 423 E CA -0.953 55.428 56.400 -0.032 0.000 0.916 423 E CB 0.801 30.487 29.700 -0.024 0.000 0.989 423 E HN 0.527 nan 8.360 nan 0.000 0.432 424 R N 0.514 121.035 120.500 0.035 0.000 2.643 424 R HA 0.041 4.382 4.340 0.001 0.000 0.270 424 R C 0.600 177.027 176.300 0.211 0.000 1.061 424 R CA -0.247 55.928 56.100 0.125 0.000 1.107 424 R CB 0.221 30.590 30.300 0.115 0.000 0.999 424 R HN 0.605 nan 8.270 nan 0.000 0.460 425 F N 2.001 122.065 119.950 0.190 0.000 2.216 425 F HA -0.151 4.377 4.527 0.001 0.000 0.300 425 F C 1.880 177.889 175.800 0.347 0.000 1.085 425 F CA 1.244 59.378 58.000 0.223 0.000 1.326 425 F CB -0.057 39.047 39.000 0.173 0.000 1.027 425 F HN 0.488 nan 8.300 nan 0.000 0.497 426 L N -0.848 120.686 121.223 0.519 0.000 2.046 426 L HA -0.238 4.103 4.340 0.001 0.000 0.208 426 L C 2.269 179.136 176.870 -0.004 0.000 1.077 426 L CA 1.891 56.866 54.840 0.224 0.000 0.747 426 L CB -0.697 41.211 42.059 -0.253 0.000 0.896 426 L HN 0.073 nan 8.230 nan 0.000 0.432 427 T N -0.958 113.586 114.554 -0.017 0.000 2.746 427 T HA -0.153 4.198 4.350 0.001 0.000 0.267 427 T C 1.946 176.583 174.700 -0.105 0.000 1.039 427 T CA 1.608 63.673 62.100 -0.058 0.000 1.142 427 T CB -0.081 68.764 68.868 -0.037 0.000 0.866 427 T HN 0.388 nan 8.240 nan 0.000 0.444 428 S N 0.323 115.932 115.700 -0.152 0.000 2.442 428 S HA -0.083 4.387 4.470 0.001 0.000 0.236 428 S C 1.868 176.281 174.600 -0.313 0.000 1.007 428 S CA 0.589 58.646 58.200 -0.238 0.000 0.965 428 S CB -0.345 62.663 63.200 -0.319 0.000 0.773 428 S HN 0.558 nan 8.310 nan 0.000 0.504 429 C N 1.576 120.680 119.300 -0.325 0.000 2.578 429 C HA 0.423 4.884 4.460 0.001 0.000 0.285 429 C C 1.873 176.766 174.990 -0.163 0.000 1.297 429 C CA -0.471 58.384 59.018 -0.272 0.000 1.690 429 C CB -1.641 25.966 27.740 -0.222 0.000 1.773 429 C HN 0.704 nan 8.230 nan 0.000 0.594 430 G N 0.799 109.517 108.800 -0.136 0.000 2.321 430 G HA2 -0.021 3.940 3.960 0.001 0.000 0.287 430 G HA3 -0.021 3.940 3.960 0.001 0.000 0.287 430 G C 1.055 175.906 174.900 -0.082 0.000 1.018 430 G CA 0.675 45.717 45.100 -0.096 0.000 0.855 430 G HN 1.474 nan 8.290 nan 0.000 0.507 431 G N -1.054 107.696 108.800 -0.083 0.000 2.179 431 G HA2 -0.340 3.621 3.960 0.001 0.000 0.260 431 G HA3 -0.340 3.621 3.960 0.001 0.000 0.260 431 G C 0.384 175.241 174.900 -0.071 0.000 0.977 431 G CA 0.782 45.837 45.100 -0.077 0.000 0.641 431 G HN 1.523 nan 8.290 nan 0.000 0.533 432 N N 1.161 119.814 118.700 -0.079 0.000 2.416 432 N HA 0.139 4.880 4.740 0.001 0.000 0.265 432 N C 1.137 176.615 175.510 -0.054 0.000 1.195 432 N CA 0.697 53.699 53.050 -0.081 0.000 0.943 432 N CB 0.693 39.097 38.487 -0.138 0.000 1.115 432 N HN 0.604 nan 8.380 nan 0.000 0.481 433 E N 3.333 123.514 120.200 -0.033 0.000 2.268 433 E HA -0.126 4.225 4.350 0.001 0.000 0.195 433 E C 1.408 178.025 176.600 0.029 0.000 0.995 433 E CA 0.907 57.316 56.400 0.014 0.000 0.836 433 E CB 0.162 29.855 29.700 -0.012 0.000 0.763 433 E HN 0.740 nan 8.360 nan 0.000 0.491 434 A N 1.176 123.968 122.820 -0.047 0.000 1.872 434 A HA -0.159 4.162 4.320 0.001 0.000 0.214 434 A C 1.984 179.441 177.584 -0.212 0.000 1.187 434 A CA 1.358 53.349 52.037 -0.078 0.000 0.614 434 A CB -0.229 18.780 19.000 0.016 0.000 0.826 434 A HN 0.100 nan 8.150 nan 0.000 0.442 435 K N -1.526 118.656 120.400 -0.363 0.000 2.057 435 K HA -0.119 4.201 4.320 0.001 0.000 0.207 435 K C 1.788 178.315 176.600 -0.121 0.000 1.049 435 K CA 1.584 57.648 56.287 -0.372 0.000 0.931 435 K CB -0.336 31.934 32.500 -0.383 0.000 0.714 435 K HN 0.499 nan 8.250 nan 0.000 0.440 436 F N 1.835 121.714 119.950 -0.118 0.000 2.075 436 F HA -0.197 4.331 4.527 0.001 0.000 0.297 436 F C 2.388 178.232 175.800 0.072 0.000 1.113 436 F CA 1.451 59.486 58.000 0.058 0.000 1.218 436 F CB 0.013 39.061 39.000 0.079 0.000 0.984 436 F HN -0.158 nan 8.300 nan 0.000 0.472 437 R N -0.217 120.433 120.500 0.250 0.000 2.091 437 R HA -0.190 4.151 4.340 0.001 0.000 0.238 437 R C 2.114 178.471 176.300 0.094 0.000 1.136 437 R CA 1.672 57.900 56.100 0.215 0.000 0.959 437 R CB -0.822 29.445 30.300 -0.055 0.000 0.856 437 R HN 0.322 nan 8.270 nan 0.000 0.437 438 L N 0.261 121.437 121.223 -0.077 0.000 2.083 438 L HA -0.107 4.234 4.340 0.001 0.000 0.209 438 L C 2.075 178.626 176.870 -0.532 0.000 1.083 438 L CA 1.973 56.707 54.840 -0.177 0.000 0.752 438 L CB -0.630 41.342 42.059 -0.145 0.000 0.899 438 L HN 0.199 nan 8.230 nan 0.000 0.433 439 A N -1.385 120.995 122.820 -0.734 0.000 1.898 439 A HA -0.132 4.188 4.320 0.001 0.000 0.216 439 A C 2.220 179.570 177.584 -0.390 0.000 1.181 439 A CA 1.837 53.367 52.037 -0.845 0.000 0.620 439 A CB -0.976 17.750 19.000 -0.458 0.000 0.819 439 A HN 0.277 nan 8.150 nan 0.000 0.442 440 V N -0.176 119.521 119.914 -0.363 0.000 2.407 440 V HA -0.240 3.881 4.120 0.001 0.000 0.248 440 V C 2.467 178.411 176.094 -0.250 0.000 1.055 440 V CA 1.823 63.906 62.300 -0.362 0.000 1.049 440 V CB -0.849 30.670 31.823 -0.507 0.000 0.662 440 V HN 0.606 nan 8.190 nan 0.000 0.455 441 L N -0.815 120.347 121.223 -0.101 0.000 2.046 441 L HA -0.184 4.157 4.340 0.001 0.000 0.208 441 L C 2.284 179.239 176.870 0.141 0.000 1.077 441 L CA 1.960 56.803 54.840 0.006 0.000 0.747 441 L CB -0.319 41.848 42.059 0.180 0.000 0.896 441 L HN 0.360 nan 8.230 nan 0.000 0.432 442 F N -0.030 119.954 119.950 0.056 0.000 2.113 442 F HA -0.275 4.253 4.527 0.001 0.000 0.297 442 F C 2.674 178.638 175.800 0.273 0.000 1.103 442 F CA 1.907 60.072 58.000 0.275 0.000 1.248 442 F CB -0.185 38.999 39.000 0.307 0.000 0.999 442 F HN 0.172 nan 8.300 nan 0.000 0.475 443 Q N -0.043 119.818 119.800 0.101 0.000 2.096 443 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 443 Q C 1.906 177.848 176.000 -0.096 0.000 0.982 443 Q CA 1.839 57.677 55.803 0.059 0.000 0.850 443 Q CB -0.131 28.654 28.738 0.077 0.000 0.901 443 Q HN 0.361 nan 8.270 nan 0.000 0.422 444 M N 0.263 119.791 119.600 -0.120 0.000 2.659 444 M HA -0.018 4.463 4.480 0.001 0.000 0.243 444 M C 1.256 177.501 176.300 -0.091 0.000 1.111 444 M CA 1.210 56.416 55.300 -0.156 0.000 1.070 444 M CB -0.194 32.261 32.600 -0.241 0.000 1.525 444 M HN 0.359 nan 8.290 nan 0.000 0.517 445 T N -4.824 109.738 114.554 0.014 0.000 3.016 445 T HA 0.119 4.469 4.350 0.001 0.000 0.271 445 T C 0.260 175.105 174.700 0.243 0.000 0.968 445 T CA -0.373 61.808 62.100 0.135 0.000 0.891 445 T CB 0.019 69.042 68.868 0.260 0.000 1.149 445 T HN 0.104 nan 8.240 nan 0.000 0.524 446 Y N 2.053 122.261 120.300 -0.153 0.000 2.289 446 Y HA 0.600 5.151 4.550 0.001 0.000 0.332 446 Y C 0.056 175.813 175.900 -0.238 0.000 1.324 446 Y CA -2.516 55.369 58.100 -0.359 0.000 1.478 446 Y CB 0.558 38.486 38.460 -0.886 0.000 1.378 446 Y HN 0.151 nan 8.280 nan 0.000 0.558 447 L N 3.247 123.833 121.223 -1.062 0.000 2.369 447 L HA 0.533 4.874 4.340 0.001 0.000 0.279 447 L C 0.061 176.576 176.870 -0.591 0.000 1.108 447 L CA 1.204 55.592 54.840 -0.754 0.000 0.852 447 L CB -0.478 41.114 42.059 -0.778 0.000 1.169 447 L HN 0.820 nan 8.230 nan 0.000 0.452 448 G N 2.552 111.133 108.800 -0.365 0.000 2.359 448 G HA2 0.026 3.987 3.960 0.001 0.000 0.303 448 G HA3 0.026 3.987 3.960 0.001 0.000 0.303 448 G C -0.939 173.807 174.900 -0.257 0.000 1.293 448 G CA -0.542 44.387 45.100 -0.285 0.000 0.964 448 G HN 0.539 nan 8.290 nan 0.000 0.531 449 T N 3.180 117.596 114.554 -0.229 0.000 2.733 449 T HA 0.592 4.943 4.350 0.001 0.000 0.294 449 T C -2.444 172.048 174.700 -0.347 0.000 0.956 449 T CA -0.639 61.294 62.100 -0.278 0.000 0.987 449 T CB 1.580 70.260 68.868 -0.312 0.000 0.920 449 T HN 0.353 nan 8.240 nan 0.000 0.470 450 P HA 0.215 nan 4.420 nan 0.000 0.268 450 P C -0.947 176.180 177.300 -0.287 0.000 1.204 450 P CA -0.574 62.356 63.100 -0.282 0.000 0.768 450 P CB 0.449 32.024 31.700 -0.209 0.000 0.842 451 L N 5.508 126.593 121.223 -0.230 0.000 2.372 451 L HA 0.465 4.806 4.340 0.001 0.000 0.273 451 L C -1.086 175.748 176.870 -0.059 0.000 0.989 451 L CA -0.362 54.362 54.840 -0.193 0.000 0.841 451 L CB 0.568 42.534 42.059 -0.154 0.000 1.225 451 L HN 0.225 nan 8.230 nan 0.000 0.414 452 I N 5.118 125.662 120.570 -0.044 0.000 2.342 452 I HA 0.189 4.360 4.170 0.001 0.000 0.291 452 I C -0.824 175.204 176.117 -0.149 0.000 1.010 452 I CA -0.627 60.669 61.300 -0.007 0.000 1.308 452 I CB 0.897 38.925 38.000 0.047 0.000 1.400 452 I HN 0.540 nan 8.210 nan 0.000 0.488 453 Y N 8.349 128.541 120.300 -0.180 0.000 2.335 453 Y HA 0.166 4.717 4.550 0.001 0.000 0.331 453 Y C -0.008 175.670 175.900 -0.371 0.000 1.094 453 Y CA -1.210 56.756 58.100 -0.223 0.000 1.253 453 Y CB 0.350 38.750 38.460 -0.100 0.000 1.203 453 Y HN 0.465 nan 8.280 nan 0.000 0.508 454 Y N 4.631 124.420 120.300 -0.853 0.000 2.865 454 Y HA 0.286 4.837 4.550 0.001 0.000 0.338 454 Y C 1.038 176.787 175.900 -0.252 0.000 1.269 454 Y CA 0.182 57.963 58.100 -0.532 0.000 1.585 454 Y CB -0.171 38.154 38.460 -0.225 0.000 1.224 454 Y HN 0.934 nan 8.280 nan 0.000 0.554 455 G N 3.084 111.890 108.800 0.011 0.000 2.284 455 G HA2 -0.362 3.599 3.960 0.001 0.000 0.230 455 G HA3 -0.362 3.599 3.960 0.001 0.000 0.230 455 G C 0.812 175.655 174.900 -0.096 0.000 1.021 455 G CA 0.309 45.348 45.100 -0.101 0.000 0.619 455 G HN 0.605 nan 8.290 nan 0.000 0.510 456 D N 1.382 121.739 120.400 -0.073 0.000 2.182 456 D HA -0.070 4.571 4.640 0.001 0.000 0.201 456 D C 2.487 178.817 176.300 0.050 0.000 0.986 456 D CA 1.473 55.533 54.000 0.100 0.000 0.847 456 D CB -0.176 40.836 40.800 0.353 0.000 0.942 456 D HN 0.760 nan 8.370 nan 0.000 0.467 457 E N 1.230 121.315 120.200 -0.193 0.000 2.265 457 E HA -0.173 4.178 4.350 0.001 0.000 0.196 457 E C 1.776 178.402 176.600 0.044 0.000 0.996 457 E CA 0.762 56.848 56.400 -0.523 0.000 0.832 457 E CB -0.454 28.972 29.700 -0.455 0.000 0.756 457 E HN 0.486 nan 8.360 nan 0.000 0.491 458 I N -3.182 117.432 120.570 0.073 0.000 3.927 458 I HA 0.516 4.686 4.170 0.001 0.000 0.332 458 I C 0.886 176.998 176.117 -0.008 0.000 1.485 458 I CA -0.076 61.270 61.300 0.077 0.000 1.131 458 I CB 0.518 38.514 38.000 -0.007 0.000 1.092 458 I HN 0.041 nan 8.210 nan 0.000 0.410 459 G N 2.149 110.914 108.800 -0.059 0.000 2.212 459 G HA2 -0.293 3.668 3.960 0.001 0.000 0.255 459 G HA3 -0.293 3.668 3.960 0.001 0.000 0.255 459 G C -0.087 174.708 174.900 -0.175 0.000 1.062 459 G CA 0.186 45.182 45.100 -0.173 0.000 0.815 459 G HN 0.446 nan 8.290 nan 0.000 0.497 460 M N 0.451 119.956 119.600 -0.158 0.000 2.226 460 M HA 0.631 5.112 4.480 0.001 0.000 0.324 460 M C 0.613 176.831 176.300 -0.136 0.000 1.112 460 M CA 1.151 56.362 55.300 -0.149 0.000 1.176 460 M CB 0.825 33.318 32.600 -0.177 0.000 1.430 460 M HN 1.081 nan 8.290 nan 0.000 0.462 461 A N 1.545 124.299 122.820 -0.109 0.000 2.530 461 A HA 0.997 5.318 4.320 0.001 0.000 0.288 461 A C -0.629 176.920 177.584 -0.058 0.000 1.172 461 A CA -0.190 51.800 52.037 -0.080 0.000 0.733 461 A CB 1.493 20.440 19.000 -0.088 0.000 1.320 461 A HN 1.166 nan 8.150 nan 0.000 0.419 462 G N -1.646 107.131 108.800 -0.038 0.000 2.368 462 G HA2 0.635 4.596 3.960 0.001 0.000 0.301 462 G HA3 0.635 4.596 3.960 0.001 0.000 0.301 462 G C -0.402 174.483 174.900 -0.025 0.000 1.640 462 G CA 0.241 45.321 45.100 -0.033 0.000 0.941 462 G HN 1.904 nan 8.290 nan 0.000 0.695 463 A N 0.521 123.322 122.820 -0.031 0.000 2.251 463 A HA 0.872 5.193 4.320 0.001 0.000 0.278 463 A C 1.306 178.870 177.584 -0.034 0.000 1.206 463 A CA 0.847 52.865 52.037 -0.032 0.000 0.822 463 A CB 0.251 19.231 19.000 -0.033 0.000 1.187 463 A HN 2.029 nan 8.150 nan 0.000 0.504 464 T N -0.838 113.692 114.554 -0.039 0.000 2.680 464 T HA 0.159 4.509 4.350 0.001 0.000 0.314 464 T C 0.336 175.007 174.700 -0.049 0.000 1.045 464 T CA 0.509 62.580 62.100 -0.049 0.000 1.025 464 T CB -0.154 68.684 68.868 -0.050 0.000 1.000 464 T HN 0.798 nan 8.240 nan 0.000 0.535 465 D N 1.578 121.946 120.400 -0.054 0.000 2.658 465 D HA -0.006 4.635 4.640 0.001 0.000 0.230 465 D C -1.342 174.908 176.300 -0.083 0.000 1.118 465 D CA -0.993 52.979 54.000 -0.047 0.000 0.848 465 D CB 0.776 41.563 40.800 -0.022 0.000 1.160 465 D HN 0.344 nan 8.370 nan 0.000 0.497 466 P HA 0.088 nan 4.420 nan 0.000 0.267 466 P C 0.401 177.677 177.300 -0.041 0.000 1.289 466 P CA -0.144 62.904 63.100 -0.087 0.000 0.866 466 P CB 0.532 32.149 31.700 -0.138 0.000 1.309 467 D N 0.680 121.050 120.400 -0.051 0.000 2.310 467 D HA -0.113 4.528 4.640 0.001 0.000 0.212 467 D C 1.485 177.771 176.300 -0.023 0.000 0.965 467 D CA 0.754 54.732 54.000 -0.036 0.000 0.879 467 D CB -0.449 40.327 40.800 -0.039 0.000 0.921 467 D HN 0.212 nan 8.370 nan 0.000 0.510 468 C N -0.957 118.339 119.300 -0.006 0.000 2.618 468 C HA 0.341 4.802 4.460 0.001 0.000 0.264 468 C C 1.496 176.539 174.990 0.088 0.000 1.334 468 C CA -0.625 58.417 59.018 0.040 0.000 1.731 468 C CB -1.100 26.661 27.740 0.036 0.000 1.852 468 C HN 0.005 nan 8.230 nan 0.000 0.566 469 R N 0.978 121.513 120.500 0.059 0.000 2.893 469 R HA 0.280 4.621 4.340 0.001 0.000 0.317 469 R C 0.146 176.485 176.300 0.065 0.000 1.239 469 R CA -0.190 55.986 56.100 0.127 0.000 1.128 469 R CB -0.035 30.322 30.300 0.095 0.000 1.377 469 R HN 0.581 nan 8.270 nan 0.000 0.583 470 R N 1.875 122.354 120.500 -0.034 0.000 2.679 470 R HA 0.146 4.486 4.340 0.001 0.000 0.269 470 R C -2.106 174.012 176.300 -0.304 0.000 1.076 470 R CA -1.585 54.381 56.100 -0.223 0.000 1.160 470 R CB 0.173 30.360 30.300 -0.189 0.000 1.054 470 R HN 0.015 nan 8.270 nan 0.000 0.507 471 P HA -0.061 nan 4.420 nan 0.000 0.271 471 P C -0.458 176.579 177.300 -0.439 0.000 1.220 471 P CA -0.215 62.246 63.100 -1.064 0.000 0.768 471 P CB 0.610 30.989 31.700 -2.203 0.000 0.848 472 M N 4.820 124.397 119.600 -0.037 0.000 2.255 472 M HA -0.003 4.478 4.480 0.001 0.000 0.356 472 M C -0.423 175.684 176.300 -0.322 0.000 1.338 472 M CA 0.682 55.907 55.300 -0.126 0.000 0.962 472 M CB -0.812 31.597 32.600 -0.319 0.000 1.877 472 M HN 0.212 nan 8.290 nan 0.000 0.463 473 I N 6.871 127.205 120.570 -0.394 0.000 2.363 473 I HA -0.010 4.161 4.170 0.001 0.000 0.292 473 I C -0.235 175.628 176.117 -0.424 0.000 1.075 473 I CA 0.309 61.448 61.300 -0.268 0.000 1.333 473 I CB 0.310 38.201 38.000 -0.182 0.000 1.415 473 I HN 0.905 nan 8.210 nan 0.000 0.502 474 W N 3.139 124.419 121.300 -0.033 0.000 2.907 474 W HA 0.132 4.793 4.660 0.001 0.000 0.271 474 W C 1.136 177.571 176.519 -0.140 0.000 1.253 474 W CA -0.345 56.901 57.345 -0.165 0.000 1.501 474 W CB 0.419 29.749 29.460 -0.218 0.000 1.047 474 W HN 0.405 nan 8.180 nan 0.000 0.610 475 E N 2.469 122.747 120.200 0.129 0.000 2.238 475 E HA -0.097 4.254 4.350 0.001 0.000 0.264 475 E C 1.078 177.691 176.600 0.022 0.000 1.136 475 E CA 0.104 56.543 56.400 0.064 0.000 0.929 475 E CB 0.759 30.493 29.700 0.057 0.000 1.010 475 E HN 0.269 nan 8.360 nan 0.000 0.440 476 E N 4.107 124.315 120.200 0.013 0.000 2.136 476 E HA -0.263 4.088 4.350 0.001 0.000 0.202 476 E C 1.208 177.809 176.600 0.001 0.000 1.019 476 E CA 1.598 57.995 56.400 -0.004 0.000 0.819 476 E CB 0.264 29.966 29.700 0.004 0.000 0.739 476 E HN 0.415 nan 8.360 nan 0.000 0.458 477 K N -0.155 120.250 120.400 0.009 0.000 2.211 477 K HA -0.107 4.214 4.320 0.001 0.000 0.203 477 K C 1.483 178.086 176.600 0.005 0.000 1.050 477 K CA 0.823 57.116 56.287 0.011 0.000 0.945 477 K CB 0.132 32.640 32.500 0.013 0.000 0.732 477 K HN 0.141 nan 8.250 nan 0.000 0.451 478 E N 0.776 120.976 120.200 0.000 0.000 2.479 478 E HA 0.032 4.383 4.350 0.001 0.000 0.193 478 E C 0.104 176.687 176.600 -0.028 0.000 1.049 478 E CA 0.308 56.702 56.400 -0.009 0.000 0.870 478 E CB 0.399 30.098 29.700 -0.002 0.000 0.944 478 E HN 0.388 nan 8.360 nan 0.000 0.492 479 Q N 0.424 120.205 119.800 -0.031 0.000 2.215 479 Q HA 0.255 4.596 4.340 0.001 0.000 0.256 479 Q C 0.160 176.155 176.000 -0.009 0.000 0.972 479 Q CA -0.541 55.234 55.803 -0.047 0.000 0.889 479 Q CB 1.094 29.782 28.738 -0.083 0.000 1.281 479 Q HN -0.122 nan 8.270 nan 0.000 0.456 480 N N 1.621 120.326 118.700 0.008 0.000 2.868 480 N HA 0.035 4.776 4.740 0.001 0.000 0.252 480 N C 0.190 175.778 175.510 0.130 0.000 1.130 480 N CA -0.007 53.075 53.050 0.053 0.000 1.026 480 N CB 0.409 38.920 38.487 0.039 0.000 1.335 480 N HN 0.432 nan 8.380 nan 0.000 0.516 481 R N 1.324 121.900 120.500 0.127 0.000 2.241 481 R HA -0.045 4.296 4.340 0.001 0.000 0.224 481 R C 1.722 178.180 176.300 0.263 0.000 1.101 481 R CA 0.687 56.914 56.100 0.213 0.000 0.995 481 R CB -0.732 29.661 30.300 0.156 0.000 0.870 481 R HN 0.495 nan 8.270 nan 0.000 0.463 482 G N 1.031 109.945 108.800 0.189 0.000 2.414 482 G HA2 -0.223 3.738 3.960 0.001 0.000 0.215 482 G HA3 -0.223 3.738 3.960 0.001 0.000 0.215 482 G C 1.557 176.614 174.900 0.262 0.000 1.188 482 G CA 0.185 45.392 45.100 0.179 0.000 0.783 482 G HN 0.216 nan 8.290 nan 0.000 0.537 483 L N -0.653 120.739 121.223 0.281 0.000 1.989 483 L HA 0.014 4.355 4.340 0.001 0.000 0.211 483 L C 2.555 179.755 176.870 0.550 0.000 1.071 483 L CA 1.593 56.687 54.840 0.422 0.000 0.749 483 L CB -0.338 41.924 42.059 0.339 0.000 0.890 483 L HN 0.294 nan 8.230 nan 0.000 0.431 484 F N 0.295 120.403 119.950 0.263 0.000 2.091 484 F HA -0.312 4.216 4.527 0.001 0.000 0.299 484 F C 2.511 178.452 175.800 0.235 0.000 1.103 484 F CA 1.820 59.943 58.000 0.206 0.000 1.228 484 F CB -0.047 39.045 39.000 0.154 0.000 0.984 484 F HN 0.107 nan 8.300 nan 0.000 0.477 485 E N -0.060 120.302 120.200 0.270 0.000 2.204 485 E HA -0.236 4.115 4.350 0.001 0.000 0.195 485 E C 2.067 178.771 176.600 0.172 0.000 0.990 485 E CA 1.128 57.607 56.400 0.133 0.000 0.821 485 E CB -0.731 29.084 29.700 0.191 0.000 0.750 485 E HN 0.592 nan 8.360 nan 0.000 0.477 486 F N 0.145 120.163 119.950 0.114 0.000 2.084 486 F HA -0.290 4.237 4.527 0.001 0.000 0.296 486 F C 2.143 177.980 175.800 0.060 0.000 1.111 486 F CA 1.138 59.193 58.000 0.091 0.000 1.224 486 F CB -0.174 38.903 39.000 0.128 0.000 0.991 486 F HN -0.044 nan 8.300 nan 0.000 0.471 487 Y N 1.155 121.369 120.300 -0.145 0.000 2.128 487 Y HA -0.286 4.264 4.550 0.001 0.000 0.284 487 Y C 2.367 178.087 175.900 -0.300 0.000 1.154 487 Y CA 2.124 60.062 58.100 -0.270 0.000 1.149 487 Y CB -0.619 37.767 38.460 -0.124 0.000 0.976 487 Y HN 0.003 nan 8.280 nan 0.000 0.505 488 K N -0.136 120.176 120.400 -0.147 0.000 2.044 488 K HA -0.278 4.043 4.320 0.001 0.000 0.210 488 K C 2.085 178.603 176.600 -0.137 0.000 1.049 488 K CA 1.967 58.128 56.287 -0.210 0.000 0.927 488 K CB -0.263 32.065 32.500 -0.288 0.000 0.713 488 K HN 0.384 nan 8.250 nan 0.000 0.443 489 E N 1.016 121.152 120.200 -0.106 0.000 2.047 489 E HA -0.159 4.192 4.350 0.001 0.000 0.191 489 E C 2.027 178.542 176.600 -0.142 0.000 0.987 489 E CA 0.833 57.187 56.400 -0.077 0.000 0.799 489 E CB 0.028 29.731 29.700 0.005 0.000 0.752 489 E HN 0.197 nan 8.360 nan 0.000 0.449 490 L N 0.656 121.719 121.223 -0.266 0.000 2.046 490 L HA -0.190 4.151 4.340 0.001 0.000 0.208 490 L C 2.540 179.260 176.870 -0.250 0.000 1.077 490 L CA 0.945 55.601 54.840 -0.306 0.000 0.747 490 L CB -0.315 41.428 42.059 -0.526 0.000 0.896 490 L HN 0.274 nan 8.230 nan 0.000 0.432 491 I N -0.695 119.735 120.570 -0.233 0.000 2.286 491 I HA -0.278 3.893 4.170 0.001 0.000 0.248 491 I C 2.755 178.732 176.117 -0.233 0.000 1.115 491 I CA 1.175 62.332 61.300 -0.239 0.000 1.392 491 I CB -0.271 37.637 38.000 -0.153 0.000 1.065 491 I HN 0.230 nan 8.210 nan 0.000 0.418 492 R N 0.427 120.857 120.500 -0.117 0.000 2.075 492 R HA -0.091 4.249 4.340 0.001 0.000 0.232 492 R C 2.349 178.602 176.300 -0.078 0.000 1.126 492 R CA 1.121 57.199 56.100 -0.037 0.000 0.963 492 R CB -0.328 29.955 30.300 -0.029 0.000 0.858 492 R HN 0.349 nan 8.270 nan 0.000 0.435 493 L N 0.321 121.472 121.223 -0.120 0.000 2.046 493 L HA -0.192 4.149 4.340 0.001 0.000 0.208 493 L C 2.805 179.574 176.870 -0.169 0.000 1.077 493 L CA 1.318 56.075 54.840 -0.137 0.000 0.747 493 L CB -0.398 41.590 42.059 -0.118 0.000 0.896 493 L HN 0.206 nan 8.230 nan 0.000 0.432 494 R N -0.980 119.394 120.500 -0.211 0.000 2.127 494 R HA -0.187 4.154 4.340 0.001 0.000 0.238 494 R C 2.242 178.415 176.300 -0.211 0.000 1.134 494 R CA 1.245 57.201 56.100 -0.240 0.000 0.975 494 R CB -0.115 29.991 30.300 -0.325 0.000 0.865 494 R HN 0.468 nan 8.270 nan 0.000 0.447 495 H N -0.242 118.763 119.070 -0.109 0.000 2.436 495 H HA 0.036 4.593 4.556 0.001 0.000 0.294 495 H C 1.883 177.142 175.328 -0.115 0.000 1.048 495 H CA 1.025 57.015 56.048 -0.096 0.000 1.353 495 H CB 0.197 29.911 29.762 -0.079 0.000 1.414 495 H HN 0.253 nan 8.280 nan 0.000 0.536 496 R N 0.324 120.798 120.500 -0.043 0.000 2.161 496 R HA 0.135 4.476 4.340 0.001 0.000 0.213 496 R C 0.391 176.556 176.300 -0.225 0.000 1.055 496 R CA 0.235 56.255 56.100 -0.134 0.000 0.996 496 R CB 0.246 30.431 30.300 -0.192 0.000 0.901 496 R HN 0.080 nan 8.270 nan 0.000 0.456 497 L N 1.513 122.585 121.223 -0.252 0.000 2.282 497 L HA 0.282 4.623 4.340 0.001 0.000 0.287 497 L C 1.289 178.066 176.870 -0.155 0.000 1.075 497 L CA -0.535 54.131 54.840 -0.291 0.000 0.839 497 L CB 1.371 43.242 42.059 -0.314 0.000 1.219 497 L HN 0.092 nan 8.230 nan 0.000 0.434 498 A N 2.083 124.833 122.820 -0.116 0.000 2.032 498 A HA -0.179 4.142 4.320 0.001 0.000 0.221 498 A C 2.318 179.864 177.584 -0.065 0.000 1.165 498 A CA 2.090 54.086 52.037 -0.068 0.000 0.645 498 A CB -0.249 18.725 19.000 -0.043 0.000 0.807 498 A HN 0.735 nan 8.150 nan 0.000 0.453 499 S N 0.009 115.671 115.700 -0.063 0.000 2.382 499 S HA -0.098 4.373 4.470 0.001 0.000 0.228 499 S C 1.682 176.253 174.600 -0.048 0.000 1.027 499 S CA 1.409 59.579 58.200 -0.050 0.000 0.991 499 S CB -0.449 62.736 63.200 -0.025 0.000 0.823 499 S HN 0.566 nan 8.310 nan 0.000 0.469 500 L N 1.367 122.556 121.223 -0.057 0.000 2.265 500 L HA -0.094 4.247 4.340 0.001 0.000 0.215 500 L C 2.646 179.465 176.870 -0.086 0.000 1.117 500 L CA 1.464 56.272 54.840 -0.054 0.000 0.782 500 L CB -0.899 41.114 42.059 -0.076 0.000 0.914 500 L HN 0.548 nan 8.230 nan 0.000 0.441 501 T N -4.323 110.179 114.554 -0.087 0.000 3.026 501 T HA 0.065 4.415 4.350 0.001 0.000 0.245 501 T C 1.655 176.296 174.700 -0.100 0.000 1.004 501 T CA -0.275 61.767 62.100 -0.096 0.000 1.069 501 T CB 0.145 68.973 68.868 -0.067 0.000 1.005 501 T HN 0.215 nan 8.240 nan 0.000 0.472 502 R N 1.252 121.702 120.500 -0.084 0.000 2.543 502 R HA 0.436 4.776 4.340 0.001 0.000 0.323 502 R C 0.774 177.023 176.300 -0.085 0.000 1.002 502 R CA -0.277 55.771 56.100 -0.086 0.000 1.106 502 R CB 1.080 31.339 30.300 -0.068 0.000 1.280 502 R HN 0.419 nan 8.270 nan 0.000 0.549 503 G N 1.057 109.806 108.800 -0.084 0.000 2.437 503 G HA2 0.198 4.159 3.960 0.001 0.000 0.319 503 G HA3 0.198 4.159 3.960 0.001 0.000 0.319 503 G C -0.237 174.611 174.900 -0.088 0.000 1.158 503 G CA -0.742 44.310 45.100 -0.081 0.000 0.899 503 G HN 0.313 nan 8.290 nan 0.000 0.502 504 N N -1.975 116.677 118.700 -0.081 0.000 2.366 504 N HA 0.497 5.237 4.740 0.001 0.000 0.277 504 N C -0.771 174.713 175.510 -0.044 0.000 1.275 504 N CA -0.731 52.273 53.050 -0.078 0.000 0.964 504 N CB 1.154 39.602 38.487 -0.064 0.000 1.167 504 N HN 0.264 nan 8.380 nan 0.000 0.568 505 V N -0.775 119.120 119.914 -0.031 0.000 2.709 505 V HA 0.564 4.685 4.120 0.001 0.000 0.308 505 V C -0.546 175.598 176.094 0.083 0.000 1.062 505 V CA -0.929 61.403 62.300 0.053 0.000 0.901 505 V CB 1.526 33.350 31.823 0.002 0.000 1.003 505 V HN 0.685 nan 8.190 nan 0.000 0.425 506 R N 1.504 122.100 120.500 0.159 0.000 2.604 506 R HA 0.544 4.885 4.340 0.001 0.000 0.281 506 R C -0.754 175.677 176.300 0.218 0.000 1.020 506 R CA -0.597 55.586 56.100 0.138 0.000 0.899 506 R CB 2.323 32.670 30.300 0.078 0.000 1.205 506 R HN 0.751 nan 8.270 nan 0.000 0.450 507 S N 1.620 117.439 115.700 0.198 0.000 2.549 507 S HA 0.073 4.544 4.470 0.001 0.000 0.279 507 S C 0.286 175.021 174.600 0.225 0.000 1.321 507 S CA -0.362 57.958 58.200 0.199 0.000 1.054 507 S CB 0.769 64.074 63.200 0.175 0.000 0.899 507 S HN 0.656 nan 8.310 nan 0.000 0.497 508 W N 2.791 124.068 121.300 -0.039 0.000 2.798 508 W HA 0.303 4.964 4.660 0.001 0.000 0.260 508 W C 0.402 176.942 176.519 0.034 0.000 1.165 508 W CA 0.500 57.842 57.345 -0.005 0.000 1.501 508 W CB -0.103 29.340 29.460 -0.027 0.000 1.023 508 W HN 0.787 nan 8.180 nan 0.000 0.615 509 H N -0.449 118.596 119.070 -0.043 0.000 3.086 509 H HA 0.543 5.100 4.556 0.001 0.000 0.353 509 H C -1.461 173.797 175.328 -0.118 0.000 1.134 509 H CA -0.129 55.827 56.048 -0.154 0.000 1.248 509 H CB 1.529 31.076 29.762 -0.359 0.000 1.878 509 H HN -0.060 nan 8.280 nan 0.000 0.527 510 A N 4.164 126.713 122.820 -0.452 0.000 2.414 510 A HA 0.401 4.722 4.320 0.001 0.000 0.286 510 A C -1.559 175.870 177.584 -0.260 0.000 1.073 510 A CA -0.626 51.325 52.037 -0.143 0.000 0.727 510 A CB 1.088 20.102 19.000 0.023 0.000 1.215 510 A HN 0.650 nan 8.150 nan 0.000 0.430 511 D N 3.179 123.535 120.400 -0.074 0.000 2.454 511 D HA 0.171 4.811 4.640 0.001 0.000 0.247 511 D C 1.023 177.331 176.300 0.014 0.000 1.129 511 D CA -0.370 53.605 54.000 -0.041 0.000 0.877 511 D CB 1.231 42.076 40.800 0.076 0.000 1.082 511 D HN 0.649 nan 8.370 nan 0.000 0.537 512 K N 2.326 122.694 120.400 -0.053 0.000 2.147 512 K HA -0.215 4.106 4.320 0.001 0.000 0.205 512 K C 1.347 177.871 176.600 -0.126 0.000 1.049 512 K CA 0.985 57.175 56.287 -0.162 0.000 0.936 512 K CB 0.248 32.473 32.500 -0.458 0.000 0.722 512 K HN 0.153 nan 8.250 nan 0.000 0.446 513 Q N 0.896 120.646 119.800 -0.082 0.000 2.062 513 Q HA 0.118 4.459 4.340 0.001 0.000 0.196 513 Q C 2.065 178.056 176.000 -0.015 0.000 0.967 513 Q CA 1.841 57.611 55.803 -0.055 0.000 0.832 513 Q CB -0.192 28.517 28.738 -0.049 0.000 0.899 513 Q HN 0.474 nan 8.270 nan 0.000 0.442 514 A N -0.002 122.823 122.820 0.008 0.000 2.119 514 A HA 0.006 4.327 4.320 0.001 0.000 0.216 514 A C 0.653 178.264 177.584 0.045 0.000 1.152 514 A CA 0.823 52.871 52.037 0.020 0.000 0.708 514 A CB -0.409 18.610 19.000 0.030 0.000 0.805 514 A HN 0.596 nan 8.150 nan 0.000 0.460 515 N N -1.782 116.967 118.700 0.082 0.000 2.738 515 N HA -0.151 4.590 4.740 0.001 0.000 0.249 515 N C -0.539 175.090 175.510 0.197 0.000 1.047 515 N CA 0.784 53.925 53.050 0.151 0.000 0.707 515 N CB -1.691 36.856 38.487 0.101 0.000 0.937 515 N HN 0.564 nan 8.380 nan 0.000 0.545 516 L N 1.084 122.430 121.223 0.206 0.000 2.329 516 L HA 0.641 4.982 4.340 0.001 0.000 0.279 516 L C -0.860 176.212 176.870 0.336 0.000 1.014 516 L CA -1.042 53.940 54.840 0.238 0.000 0.814 516 L CB 0.985 43.131 42.059 0.146 0.000 1.257 516 L HN 0.243 nan 8.230 nan 0.000 0.424 517 Y N 4.396 124.842 120.300 0.244 0.000 2.442 517 Y HA 0.768 5.318 4.550 0.001 0.000 0.344 517 Y C -0.942 175.150 175.900 0.320 0.000 0.976 517 Y CA -0.521 57.735 58.100 0.259 0.000 1.040 517 Y CB 1.916 40.520 38.460 0.240 0.000 1.228 517 Y HN 0.670 nan 8.280 nan 0.000 0.451 518 A N 5.622 128.232 122.820 -0.351 0.000 2.515 518 A HA 0.842 5.162 4.320 0.001 0.000 0.298 518 A C -1.938 175.626 177.584 -0.034 0.000 1.059 518 A CA -0.527 51.474 52.037 -0.059 0.000 0.698 518 A CB 1.029 19.995 19.000 -0.056 0.000 1.289 518 A HN 0.918 nan 8.150 nan 0.000 0.404 519 F N -0.753 119.306 119.950 0.182 0.000 2.685 519 F HA 0.841 5.369 4.527 0.001 0.000 0.315 519 F C -1.369 174.565 175.800 0.224 0.000 1.126 519 F CA -1.323 56.803 58.000 0.210 0.000 0.950 519 F CB 1.328 40.516 39.000 0.313 0.000 1.360 519 F HN 0.372 nan 8.300 nan 0.000 0.469 520 V N 2.397 122.460 119.914 0.249 0.000 2.577 520 V HA 0.569 4.690 4.120 0.001 0.000 0.303 520 V C -0.685 175.502 176.094 0.155 0.000 1.042 520 V CA -0.806 61.521 62.300 0.045 0.000 0.872 520 V CB 1.848 33.564 31.823 -0.178 0.000 0.998 520 V HN 0.712 nan 8.190 nan 0.000 0.423 521 R N 2.523 123.099 120.500 0.126 0.000 2.312 521 R HA 0.742 5.083 4.340 0.001 0.000 0.311 521 R C -0.549 175.720 176.300 -0.053 0.000 1.004 521 R CA -0.337 55.813 56.100 0.082 0.000 0.902 521 R CB 1.705 32.073 30.300 0.114 0.000 1.073 521 R HN 0.762 nan 8.270 nan 0.000 0.457 522 T N 0.524 115.003 114.554 -0.124 0.000 2.912 522 T HA 0.468 4.819 4.350 0.001 0.000 0.299 522 T C -1.005 173.588 174.700 -0.179 0.000 1.052 522 T CA -0.714 61.224 62.100 -0.271 0.000 0.996 522 T CB 2.202 70.796 68.868 -0.457 0.000 1.070 522 T HN 0.310 nan 8.240 nan 0.000 0.465 523 V N 3.965 123.784 119.914 -0.159 0.000 2.817 523 V HA 0.429 4.550 4.120 0.001 0.000 0.303 523 V C -0.370 175.695 176.094 -0.048 0.000 1.151 523 V CA -0.307 61.943 62.300 -0.084 0.000 0.929 523 V CB 1.354 33.143 31.823 -0.056 0.000 1.030 523 V HN 1.040 nan 8.190 nan 0.000 0.427 524 Q N 3.618 123.402 119.800 -0.027 0.000 1.802 524 Q HA -0.251 4.090 4.340 0.001 0.000 0.387 524 Q C -0.009 176.021 176.000 0.050 0.000 0.822 524 Q CA 1.975 57.785 55.803 0.011 0.000 0.840 524 Q CB -1.006 27.745 28.738 0.022 0.000 3.553 524 Q HN 0.900 nan 8.270 nan 0.000 0.735 525 D N 1.135 121.591 120.400 0.092 0.000 2.360 525 D HA 0.033 4.674 4.640 0.001 0.000 0.210 525 D C 0.576 177.053 176.300 0.294 0.000 1.047 525 D CA 0.374 54.479 54.000 0.174 0.000 0.854 525 D CB 0.194 41.049 40.800 0.092 0.000 0.936 525 D HN 0.240 nan 8.370 nan 0.000 0.514 526 Q N 0.864 120.795 119.800 0.218 0.000 2.288 526 Q HA 0.133 4.474 4.340 0.001 0.000 0.254 526 Q C -1.096 175.067 176.000 0.271 0.000 0.932 526 Q CA -0.037 55.934 55.803 0.280 0.000 0.902 526 Q CB 0.517 29.370 28.738 0.192 0.000 1.203 526 Q HN 0.050 nan 8.270 nan 0.000 0.415 527 H N 1.267 120.419 119.070 0.136 0.000 2.679 527 H HA 0.520 5.076 4.556 0.001 0.000 0.360 527 H C -1.286 174.170 175.328 0.212 0.000 1.105 527 H CA -0.539 55.583 56.048 0.123 0.000 1.196 527 H CB 2.064 31.885 29.762 0.098 0.000 1.636 527 H HN 0.344 nan 8.280 nan 0.000 0.531 528 V N 2.364 122.419 119.914 0.236 0.000 2.482 528 V HA 0.577 4.698 4.120 0.001 0.000 0.295 528 V C 0.481 176.626 176.094 0.084 0.000 1.026 528 V CA -0.829 61.602 62.300 0.219 0.000 0.856 528 V CB 1.827 33.730 31.823 0.134 0.000 1.001 528 V HN 0.962 nan 8.190 nan 0.000 0.424 529 G N 3.212 112.063 108.800 0.085 0.000 2.348 529 G HA2 0.595 4.555 3.960 0.001 0.000 0.312 529 G HA3 0.595 4.555 3.960 0.001 0.000 0.312 529 G C -0.960 173.937 174.900 -0.005 0.000 1.126 529 G CA -0.434 44.647 45.100 -0.032 0.000 0.865 529 G HN 0.532 nan 8.290 nan 0.000 0.474 530 V N 2.559 122.341 119.914 -0.221 0.000 2.409 530 V HA 0.370 4.491 4.120 0.001 0.000 0.291 530 V C -0.287 175.781 176.094 -0.043 0.000 1.020 530 V CA -0.610 61.549 62.300 -0.236 0.000 0.848 530 V CB 1.649 33.096 31.823 -0.626 0.000 0.990 530 V HN 0.537 nan 8.190 nan 0.000 0.430 531 V N 6.981 126.932 119.914 0.062 0.000 2.357 531 V HA 0.509 4.630 4.120 0.001 0.000 0.284 531 V C -0.370 175.815 176.094 0.152 0.000 1.018 531 V CA -0.468 61.868 62.300 0.060 0.000 0.841 531 V CB 1.417 33.207 31.823 -0.055 0.000 0.991 531 V HN 0.660 nan 8.190 nan 0.000 0.437 532 L N 4.286 125.662 121.223 0.255 0.000 2.319 532 L HA 0.554 4.895 4.340 0.001 0.000 0.281 532 L C 0.028 177.053 176.870 0.258 0.000 1.005 532 L CA -0.457 54.576 54.840 0.321 0.000 0.828 532 L CB 1.445 43.824 42.059 0.533 0.000 1.227 532 L HN 0.536 nan 8.230 nan 0.000 0.415 533 N N 2.287 121.093 118.700 0.176 0.000 2.767 533 N HA 0.041 4.782 4.740 0.001 0.000 0.238 533 N C -0.157 175.427 175.510 0.123 0.000 1.083 533 N CA -0.210 52.904 53.050 0.107 0.000 0.964 533 N CB 0.326 38.828 38.487 0.025 0.000 1.252 533 N HN 0.432 nan 8.380 nan 0.000 0.512 534 N N 2.955 121.736 118.700 0.134 0.000 3.254 534 N HA 0.113 4.854 4.740 0.001 0.000 0.308 534 N C -1.049 174.514 175.510 0.089 0.000 1.281 534 N CA 0.096 53.220 53.050 0.123 0.000 1.212 534 N CB -0.263 38.047 38.487 -0.294 0.000 1.478 534 N HN 0.379 nan 8.380 nan 0.000 0.548 535 R N -0.783 119.662 120.500 -0.093 0.000 2.668 535 R HA 0.371 4.712 4.340 0.001 0.000 0.272 535 R C 0.365 176.121 176.300 -0.906 0.000 1.019 535 R CA -0.667 55.253 56.100 -0.299 0.000 0.894 535 R CB 1.277 31.475 30.300 -0.169 0.000 1.228 535 R HN 0.266 nan 8.270 nan 0.000 0.460 536 G N 1.260 109.625 108.800 -0.724 0.000 3.279 536 G HA2 0.049 4.010 3.960 0.001 0.000 0.230 536 G HA3 0.049 4.010 3.960 0.001 0.000 0.230 536 G C 0.031 174.721 174.900 -0.351 0.000 1.230 536 G CA 0.203 44.882 45.100 -0.702 0.000 0.891 536 G HN 0.321 nan 8.290 nan 0.000 0.518 537 E N -0.047 119.975 120.200 -0.295 0.000 2.343 537 E HA 0.227 4.578 4.350 0.001 0.000 0.270 537 E C -0.783 175.726 176.600 -0.150 0.000 0.895 537 E CA -0.866 55.431 56.400 -0.172 0.000 0.767 537 E CB 2.253 31.883 29.700 -0.118 0.000 1.248 537 E HN 0.092 nan 8.360 nan 0.000 0.440 538 K N 2.206 122.542 120.400 -0.106 0.000 2.416 538 K HA 0.041 4.361 4.320 0.001 0.000 0.283 538 K C -0.492 176.063 176.600 -0.075 0.000 1.037 538 K CA 0.533 56.769 56.287 -0.084 0.000 0.995 538 K CB 0.515 32.978 32.500 -0.061 0.000 0.938 538 K HN 0.366 nan 8.250 nan 0.000 0.475 539 Q N 2.004 121.760 119.800 -0.073 0.000 2.451 539 Q HA 0.355 4.696 4.340 0.001 0.000 0.281 539 Q C -1.187 174.774 176.000 -0.066 0.000 1.099 539 Q CA -1.060 54.704 55.803 -0.065 0.000 0.806 539 Q CB 2.655 31.355 28.738 -0.063 0.000 1.419 539 Q HN 0.555 nan 8.270 nan 0.000 0.427 540 T N 0.948 115.462 114.554 -0.067 0.000 2.876 540 T HA 0.654 5.005 4.350 0.001 0.000 0.289 540 T C -0.773 173.866 174.700 -0.102 0.000 1.014 540 T CA -0.642 61.410 62.100 -0.079 0.000 0.986 540 T CB 1.487 70.317 68.868 -0.063 0.000 1.021 540 T HN 0.476 nan 8.240 nan 0.000 0.458 541 V N 0.649 120.475 119.914 -0.147 0.000 3.114 541 V HA 0.732 4.853 4.120 0.001 0.000 0.308 541 V C -1.491 174.453 176.094 -0.250 0.000 1.168 541 V CA -1.257 60.917 62.300 -0.210 0.000 1.015 541 V CB 1.920 33.555 31.823 -0.314 0.000 1.050 541 V HN 0.795 nan 8.190 nan 0.000 0.433 542 L N 3.372 124.436 121.223 -0.265 0.000 2.295 542 L HA 0.569 4.910 4.340 0.001 0.000 0.281 542 L C -0.571 176.094 176.870 -0.341 0.000 1.018 542 L CA -0.283 54.417 54.840 -0.234 0.000 0.841 542 L CB 1.306 43.289 42.059 -0.126 0.000 1.218 542 L HN 0.551 nan 8.230 nan 0.000 0.424 543 L N 3.089 124.062 121.223 -0.416 0.000 2.360 543 L HA 0.409 4.749 4.340 0.001 0.000 0.271 543 L C 0.014 176.781 176.870 -0.171 0.000 1.057 543 L CA -0.983 53.539 54.840 -0.530 0.000 0.803 543 L CB 1.141 42.574 42.059 -1.043 0.000 1.207 543 L HN 0.485 nan 8.230 nan 0.000 0.445 544 Q N 2.267 122.079 119.800 0.021 0.000 2.293 544 Q HA 0.405 4.746 4.340 0.001 0.000 0.251 544 Q C -0.551 175.639 176.000 0.316 0.000 0.930 544 Q CA -0.337 55.574 55.803 0.180 0.000 0.893 544 Q CB 1.901 30.764 28.738 0.210 0.000 1.215 544 Q HN 0.491 nan 8.270 nan 0.000 0.425 545 V N -0.954 119.076 119.914 0.193 0.000 2.881 545 V HA 0.243 4.364 4.120 0.001 0.000 0.254 545 V C -2.530 173.672 176.094 0.180 0.000 0.880 545 V CA -1.717 60.698 62.300 0.191 0.000 0.926 545 V CB 1.055 32.955 31.823 0.128 0.000 1.033 545 V HN 0.610 nan 8.190 nan 0.000 0.501 546 P HA 0.141 nan 4.420 nan 0.000 0.264 546 P C 0.890 178.257 177.300 0.111 0.000 1.193 546 P CA 0.391 63.556 63.100 0.108 0.000 0.763 546 P CB 1.242 32.992 31.700 0.083 0.000 0.810 547 E N 1.622 121.877 120.200 0.092 0.000 2.401 547 E HA -0.228 4.123 4.350 0.001 0.000 0.204 547 E C 1.811 178.420 176.600 0.015 0.000 1.036 547 E CA 1.672 58.111 56.400 0.065 0.000 0.856 547 E CB -0.063 29.662 29.700 0.042 0.000 0.770 547 E HN 0.594 nan 8.360 nan 0.000 0.527 548 S N -0.659 115.049 115.700 0.014 0.000 2.382 548 S HA -0.099 4.372 4.470 0.001 0.000 0.228 548 S C 1.954 176.506 174.600 -0.081 0.000 1.027 548 S CA 0.975 59.162 58.200 -0.022 0.000 0.991 548 S CB -0.195 63.004 63.200 -0.000 0.000 0.823 548 S HN 0.273 nan 8.310 nan 0.000 0.469 549 G N 0.560 109.313 108.800 -0.078 0.000 3.233 549 G HA2 0.521 4.482 3.960 0.001 0.000 0.227 549 G HA3 0.521 4.482 3.960 0.001 0.000 0.227 549 G C 0.608 175.347 174.900 -0.269 0.000 1.175 549 G CA -0.057 44.908 45.100 -0.224 0.000 0.781 549 G HN 1.194 nan 8.290 nan 0.000 0.542 550 G N 0.147 108.798 108.800 -0.249 0.000 2.515 550 G HA2 0.034 3.994 3.960 0.001 0.000 0.686 550 G HA3 0.034 3.994 3.960 0.001 0.000 0.686 550 G C 0.190 174.882 174.900 -0.348 0.000 1.274 550 G CA -0.074 44.742 45.100 -0.474 0.000 0.874 550 G HN 0.698 nan 8.290 nan 0.000 0.631 551 K N -1.755 118.455 120.400 -0.316 0.000 2.477 551 K HA 0.422 4.743 4.320 0.001 0.000 0.208 551 K C 0.349 176.982 176.600 0.056 0.000 1.117 551 K CA 0.413 56.714 56.287 0.023 0.000 1.039 551 K CB 1.093 33.615 32.500 0.037 0.000 0.937 551 K HN 0.533 nan 8.250 nan 0.000 0.570 552 T N 0.891 115.270 114.554 -0.291 0.000 2.861 552 T HA 0.408 4.759 4.350 0.001 0.000 0.287 552 T C -1.462 173.001 174.700 -0.395 0.000 1.003 552 T CA -0.601 61.425 62.100 -0.124 0.000 0.977 552 T CB 1.384 70.195 68.868 -0.095 0.000 0.996 552 T HN 0.157 nan 8.240 nan 0.000 0.448 553 W N 1.871 123.129 121.300 -0.070 0.000 3.031 553 W HA 0.671 5.332 4.660 0.001 0.000 0.337 553 W C -1.428 175.041 176.519 -0.082 0.000 1.187 553 W CA -0.835 56.469 57.345 -0.069 0.000 1.166 553 W CB 2.245 31.704 29.460 -0.002 0.000 1.437 553 W HN 0.349 nan 8.180 nan 0.000 0.551 554 L N 2.505 123.838 121.223 0.183 0.000 2.381 554 L HA 0.286 4.627 4.340 0.001 0.000 0.274 554 L C -0.410 176.583 176.870 0.206 0.000 0.988 554 L CA -0.248 54.668 54.840 0.128 0.000 0.824 554 L CB 1.269 43.362 42.059 0.056 0.000 1.263 554 L HN 0.216 nan 8.230 nan 0.000 0.410 555 D N 3.149 123.640 120.400 0.151 0.000 2.352 555 D HA 0.081 4.722 4.640 0.001 0.000 0.245 555 D C 0.939 177.335 176.300 0.160 0.000 1.224 555 D CA -0.010 54.080 54.000 0.150 0.000 0.879 555 D CB 0.923 41.784 40.800 0.101 0.000 1.057 555 D HN 0.677 nan 8.370 nan 0.000 0.491 556 C N 3.498 122.915 119.300 0.194 0.000 2.409 556 C HA -0.080 4.381 4.460 0.001 0.000 0.284 556 C C 2.589 177.655 174.990 0.126 0.000 1.354 556 C CA 0.203 59.327 59.018 0.176 0.000 1.787 556 C CB -0.804 27.028 27.740 0.154 0.000 1.900 556 C HN 0.687 nan 8.230 nan 0.000 0.520 557 L N 0.318 121.614 121.223 0.122 0.000 2.307 557 L HA -0.022 4.319 4.340 0.001 0.000 0.211 557 L C 2.541 179.477 176.870 0.109 0.000 1.099 557 L CA 1.827 56.740 54.840 0.123 0.000 0.816 557 L CB -0.301 41.846 42.059 0.148 0.000 0.952 557 L HN 0.549 nan 8.230 nan 0.000 0.455 558 T N -6.266 108.347 114.554 0.098 0.000 2.958 558 T HA 0.255 4.606 4.350 0.001 0.000 0.256 558 T C 1.428 176.172 174.700 0.074 0.000 0.983 558 T CA 0.548 62.695 62.100 0.079 0.000 0.924 558 T CB 1.085 69.991 68.868 0.064 0.000 1.136 558 T HN 0.297 nan 8.240 nan 0.000 0.506 559 G N 1.783 110.636 108.800 0.088 0.000 2.234 559 G HA2 -0.309 3.651 3.960 0.001 0.000 0.260 559 G HA3 -0.309 3.651 3.960 0.001 0.000 0.260 559 G C -0.063 174.875 174.900 0.063 0.000 0.987 559 G CA 0.390 45.539 45.100 0.083 0.000 0.625 559 G HN 0.935 nan 8.290 nan 0.000 0.532 560 E N 1.096 121.328 120.200 0.054 0.000 2.442 560 E HA 0.272 4.623 4.350 0.001 0.000 0.262 560 E C -0.037 176.572 176.600 0.016 0.000 1.004 560 E CA 0.154 56.573 56.400 0.031 0.000 0.928 560 E CB 0.253 29.968 29.700 0.025 0.000 0.937 560 E HN 0.456 nan 8.360 nan 0.000 0.446 561 E N 4.146 124.330 120.200 -0.027 0.000 2.114 561 E HA 0.259 4.610 4.350 0.001 0.000 0.266 561 E C -0.829 175.577 176.600 -0.324 0.000 0.896 561 E CA -0.818 55.523 56.400 -0.098 0.000 0.750 561 E CB 1.232 30.904 29.700 -0.048 0.000 1.121 561 E HN 0.406 nan 8.360 nan 0.000 0.413 562 V N 2.012 121.768 119.914 -0.263 0.000 2.713 562 V HA 0.579 4.700 4.120 0.001 0.000 0.307 562 V C -0.599 175.273 176.094 -0.371 0.000 1.052 562 V CA -0.570 61.530 62.300 -0.332 0.000 0.967 562 V CB 1.624 33.408 31.823 -0.064 0.000 1.019 562 V HN 0.635 nan 8.190 nan 0.000 0.459 563 H N 2.127 121.285 119.070 0.148 0.000 2.637 563 H HA 0.650 5.207 4.556 0.001 0.000 0.363 563 H C 0.155 175.587 175.328 0.173 0.000 1.131 563 H CA -0.102 56.047 56.048 0.167 0.000 1.183 563 H CB 2.176 31.992 29.762 0.090 0.000 1.637 563 H HN 1.083 nan 8.280 nan 0.000 0.531 564 G N 1.997 111.014 108.800 0.361 0.000 2.356 564 G HA2 0.372 4.333 3.960 0.001 0.000 0.298 564 G HA3 0.372 4.333 3.960 0.001 0.000 0.298 564 G C -0.282 174.729 174.900 0.185 0.000 1.145 564 G CA -0.761 44.496 45.100 0.262 0.000 0.850 564 G HN 0.554 nan 8.290 nan 0.000 0.487 565 K N 2.065 122.538 120.400 0.121 0.000 2.376 565 K HA 0.370 4.691 4.320 0.001 0.000 0.257 565 K C -0.223 176.416 176.600 0.066 0.000 0.939 565 K CA -0.719 55.618 56.287 0.083 0.000 0.809 565 K CB 1.819 34.356 32.500 0.062 0.000 1.121 565 K HN 0.629 nan 8.250 nan 0.000 0.425 566 Q N 1.282 121.118 119.800 0.060 0.000 2.453 566 Q HA -0.223 4.118 4.340 0.001 0.000 0.294 566 Q C 0.553 176.589 176.000 0.060 0.000 1.295 566 Q CA 0.920 56.753 55.803 0.050 0.000 0.853 566 Q CB -1.973 26.786 28.738 0.036 0.000 1.193 566 Q HN 1.291 nan 8.270 nan 0.000 0.461 567 G N -0.808 108.041 108.800 0.083 0.000 2.166 567 G HA2 -0.348 3.613 3.960 0.001 0.000 0.260 567 G HA3 -0.348 3.613 3.960 0.001 0.000 0.260 567 G C -0.052 174.900 174.900 0.086 0.000 0.986 567 G CA 0.834 45.992 45.100 0.095 0.000 0.683 567 G HN 0.429 nan 8.290 nan 0.000 0.527 568 Q N -1.373 118.468 119.800 0.068 0.000 2.413 568 Q HA 0.763 5.104 4.340 0.001 0.000 0.276 568 Q C -1.196 174.814 176.000 0.016 0.000 1.099 568 Q CA -1.053 54.768 55.803 0.031 0.000 0.814 568 Q CB 2.515 31.259 28.738 0.011 0.000 1.379 568 Q HN 0.267 nan 8.270 nan 0.000 0.436 569 L N 1.864 123.058 121.223 -0.049 0.000 2.372 569 L HA 0.430 4.771 4.340 0.001 0.000 0.274 569 L C -1.291 175.506 176.870 -0.122 0.000 0.988 569 L CA -0.387 54.405 54.840 -0.081 0.000 0.833 569 L CB 1.554 43.515 42.059 -0.163 0.000 1.236 569 L HN 0.392 nan 8.230 nan 0.000 0.410 570 K N 3.883 124.239 120.400 -0.073 0.000 2.276 570 K HA 0.628 4.949 4.320 0.001 0.000 0.285 570 K C -1.399 175.142 176.600 -0.098 0.000 1.062 570 K CA -0.104 56.133 56.287 -0.083 0.000 0.918 570 K CB 0.509 32.986 32.500 -0.038 0.000 1.055 570 K HN 0.513 nan 8.250 nan 0.000 0.477 571 L N 3.443 124.585 121.223 -0.134 0.000 2.385 571 L HA 0.433 4.773 4.340 0.001 0.000 0.273 571 L C -0.849 175.960 176.870 -0.101 0.000 0.990 571 L CA -0.207 54.559 54.840 -0.125 0.000 0.821 571 L CB 2.298 44.250 42.059 -0.178 0.000 1.279 571 L HN 0.623 nan 8.230 nan 0.000 0.412 572 T N 4.384 118.897 114.554 -0.069 0.000 2.791 572 T HA 0.634 4.985 4.350 0.001 0.000 0.288 572 T C -0.516 174.157 174.700 -0.046 0.000 0.999 572 T CA -0.563 61.503 62.100 -0.056 0.000 0.952 572 T CB 0.930 69.774 68.868 -0.040 0.000 0.938 572 T HN 0.101 nan 8.240 nan 0.000 0.444 573 L N 2.881 124.075 121.223 -0.049 0.000 2.334 573 L HA 0.571 4.911 4.340 0.001 0.000 0.276 573 L C 0.708 177.552 176.870 -0.043 0.000 1.014 573 L CA -0.703 54.116 54.840 -0.036 0.000 0.815 573 L CB 1.717 43.758 42.059 -0.030 0.000 1.268 573 L HN 0.524 nan 8.230 nan 0.000 0.428 574 R N 1.942 122.423 120.500 -0.032 0.000 2.546 574 R HA 0.342 4.683 4.340 0.001 0.000 0.266 574 R C -2.166 174.089 176.300 -0.075 0.000 1.086 574 R CA -1.573 54.500 56.100 -0.045 0.000 1.160 574 R CB 0.418 30.704 30.300 -0.024 0.000 1.138 574 R HN 0.344 nan 8.270 nan 0.000 0.567 575 P HA -0.126 nan 4.420 nan 0.000 0.260 575 P C -0.966 176.255 177.300 -0.132 0.000 1.172 575 P CA 0.951 63.894 63.100 -0.263 0.000 0.760 575 P CB -0.004 31.550 31.700 -0.243 0.000 0.773 576 Y N -0.952 119.343 120.300 -0.008 0.000 4.236 576 Y HA -0.312 4.239 4.550 0.001 0.000 0.220 576 Y C 1.062 176.969 175.900 0.011 0.000 1.115 576 Y CA 0.167 58.268 58.100 0.002 0.000 1.811 576 Y CB -1.743 36.709 38.460 -0.013 0.000 1.581 576 Y HN 0.451 nan 8.280 nan 0.000 0.643 577 Q N 1.405 121.268 119.800 0.104 0.000 2.327 577 Q HA 0.494 4.835 4.340 0.001 0.000 0.254 577 Q C 0.550 176.616 176.000 0.109 0.000 0.952 577 Q CA 0.352 56.203 55.803 0.080 0.000 0.884 577 Q CB 1.182 29.941 28.738 0.036 0.000 1.224 577 Q HN 0.354 nan 8.270 nan 0.000 0.422 578 G N 3.172 112.045 108.800 0.123 0.000 2.453 578 G HA2 0.652 4.613 3.960 0.001 0.000 0.323 578 G HA3 0.652 4.613 3.960 0.001 0.000 0.323 578 G C -1.160 173.816 174.900 0.127 0.000 1.198 578 G CA -0.709 44.483 45.100 0.154 0.000 0.959 578 G HN 0.628 nan 8.290 nan 0.000 0.482 579 M N 0.907 120.576 119.600 0.115 0.000 2.457 579 M HA 0.462 4.943 4.480 0.001 0.000 0.300 579 M C -1.074 175.288 176.300 0.103 0.000 1.141 579 M CA -0.488 54.870 55.300 0.097 0.000 0.901 579 M CB 2.919 35.555 32.600 0.060 0.000 1.687 579 M HN 0.269 nan 8.290 nan 0.000 0.449 580 I N 4.625 125.265 120.570 0.116 0.000 2.502 580 I HA 0.241 4.412 4.170 0.001 0.000 0.276 580 I C -1.022 175.203 176.117 0.180 0.000 1.057 580 I CA -0.641 60.730 61.300 0.118 0.000 1.163 580 I CB 0.819 38.880 38.000 0.101 0.000 1.288 580 I HN 0.357 nan 8.210 nan 0.000 0.479 581 L N 5.240 126.585 121.223 0.203 0.000 2.283 581 L HA 0.190 4.531 4.340 0.001 0.000 0.287 581 L C -0.504 176.671 176.870 0.508 0.000 1.073 581 L CA 0.007 55.048 54.840 0.335 0.000 0.822 581 L CB 0.144 42.337 42.059 0.222 0.000 1.186 581 L HN 0.576 nan 8.230 nan 0.000 0.436 582 W N 6.017 127.478 121.300 0.268 0.000 2.391 582 W HA 0.288 4.949 4.660 0.001 0.000 0.311 582 W C 1.081 177.657 176.519 0.095 0.000 1.087 582 W CA -1.176 56.272 57.345 0.173 0.000 1.209 582 W CB 0.776 30.288 29.460 0.087 0.000 1.273 582 W HN 0.658 nan 8.180 nan 0.000 0.482 583 N N 4.083 122.745 118.700 -0.062 0.000 2.434 583 N HA 0.029 4.769 4.740 0.001 0.000 0.196 583 N C 1.280 176.303 175.510 -0.813 0.000 1.183 583 N CA 0.691 53.370 53.050 -0.618 0.000 0.849 583 N CB -0.438 37.720 38.487 -0.548 0.000 0.992 583 N HN 0.961 nan 8.380 nan 0.000 0.460 584 G N 0.171 107.954 108.800 -1.695 0.000 2.200 584 G HA2 -0.373 3.588 3.960 0.001 0.000 0.267 584 G HA3 -0.373 3.588 3.960 0.001 0.000 0.267 584 G C 0.262 174.836 174.900 -0.543 0.000 0.993 584 G CA 0.785 44.795 45.100 -1.816 0.000 0.701 584 G HN 0.563 nan 8.290 nan 0.000 0.524 585 R N 0.000 120.420 120.500 -0.133 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.127 56.100 0.044 0.000 0.921 585 R CB 0.000 30.285 30.300 -0.025 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535