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 2d2o_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 TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV 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 0.000 176.227 176.300 -0.122 0.000 1.140 1 M CA 0.000 55.251 55.300 -0.082 0.000 0.988 1 M CB 0.000 32.543 32.600 -0.094 0.000 1.302 2 L N 6.139 127.298 121.223 -0.107 0.000 2.401 2 L HA 0.315 4.656 4.340 0.001 0.000 0.283 2 L C 0.328 177.085 176.870 -0.188 0.000 1.151 2 L CA 0.371 55.139 54.840 -0.120 0.000 0.942 2 L CB 0.308 42.325 42.059 -0.070 0.000 1.283 2 L HN 0.912 nan 8.230 nan 0.000 0.442 3 L N 2.117 123.141 121.223 -0.332 0.000 2.191 3 L HA -0.157 4.184 4.340 0.001 0.000 0.212 3 L C 1.597 178.263 176.870 -0.341 0.000 1.103 3 L CA 0.911 55.377 54.840 -0.624 0.000 0.769 3 L CB -0.365 41.048 42.059 -1.076 0.000 0.908 3 L HN 0.587 nan 8.230 nan 0.000 0.438 4 E N 0.507 120.613 120.200 -0.158 0.000 2.409 4 E HA -0.096 4.255 4.350 0.001 0.000 0.198 4 E C 1.762 178.387 176.600 0.043 0.000 1.024 4 E CA 0.900 57.287 56.400 -0.023 0.000 0.861 4 E CB -0.076 29.620 29.700 -0.007 0.000 0.788 4 E HN 0.454 nan 8.360 nan 0.000 0.521 5 A N 0.254 123.094 122.820 0.033 0.000 2.430 5 A HA 0.247 4.567 4.320 0.001 0.000 0.243 5 A C 0.457 178.135 177.584 0.157 0.000 1.254 5 A CA -0.314 51.814 52.037 0.152 0.000 0.914 5 A CB 0.125 19.215 19.000 0.150 0.000 0.998 5 A HN 0.074 nan 8.150 nan 0.000 0.515 6 I N 0.048 120.656 120.570 0.063 0.000 2.365 6 I HA 0.442 4.612 4.170 0.001 0.000 0.291 6 I C -0.604 175.591 176.117 0.131 0.000 1.004 6 I CA -0.393 60.929 61.300 0.036 0.000 1.311 6 I CB 1.224 39.151 38.000 -0.121 0.000 1.401 6 I HN 0.313 nan 8.210 nan 0.000 0.491 7 F N 6.508 126.438 119.950 -0.033 0.000 2.588 7 F HA 0.587 5.115 4.527 0.001 0.000 0.310 7 F C -0.928 174.905 175.800 0.056 0.000 1.082 7 F CA -0.279 57.716 58.000 -0.008 0.000 0.929 7 F CB 1.539 40.420 39.000 -0.198 0.000 1.254 7 F HN 0.484 nan 8.300 nan 0.000 0.455 8 H N 3.761 122.218 119.070 -1.022 0.000 3.114 8 H HA 0.291 4.848 4.556 0.002 0.000 0.325 8 H C -2.136 172.567 175.328 -1.041 0.000 1.206 8 H CA -0.508 54.994 56.048 -0.911 0.000 1.316 8 H CB 2.225 31.718 29.762 -0.448 0.000 1.981 8 H HN 0.866 nan 8.280 nan 0.000 0.527 9 E N 2.583 121.892 120.200 -1.484 0.000 2.292 9 E HA 0.622 4.973 4.350 0.001 0.000 0.272 9 E C -1.082 175.100 176.600 -0.696 0.000 0.881 9 E CA -1.133 54.781 56.400 -0.809 0.000 0.754 9 E CB 2.155 31.598 29.700 -0.428 0.000 1.201 9 E HN 0.525 nan 8.360 nan 0.000 0.425 10 A N 3.990 126.686 122.820 -0.207 0.000 2.810 10 A HA 0.158 4.478 4.320 0.001 0.000 0.247 10 A C 0.000 177.739 177.584 0.258 0.000 1.576 10 A CA 0.521 52.663 52.037 0.175 0.000 1.294 10 A CB -0.975 18.212 19.000 0.312 0.000 0.976 10 A HN 0.652 nan 8.150 nan 0.000 0.631 11 K N -2.953 117.562 120.400 0.192 0.000 2.872 11 K HA 0.555 4.876 4.320 0.001 0.000 0.291 11 K C 0.623 177.377 176.600 0.257 0.000 1.000 11 K CA -0.503 55.949 56.287 0.275 0.000 0.750 11 K CB -0.494 32.099 32.500 0.154 0.000 1.415 11 K HN 1.378 nan 8.250 nan 0.000 0.361 12 G N 0.814 109.758 108.800 0.240 0.000 2.611 12 G HA2 -0.402 3.559 3.960 0.001 0.000 0.301 12 G HA3 -0.402 3.559 3.960 0.001 0.000 0.301 12 G C 0.703 175.794 174.900 0.318 0.000 1.233 12 G CA 1.457 46.700 45.100 0.238 0.000 0.993 12 G HN 1.538 nan 8.290 nan 0.000 0.553 13 S N -1.043 114.867 115.700 0.350 0.000 2.556 13 S HA 0.357 4.828 4.470 0.001 0.000 0.216 13 S C 1.507 176.276 174.600 0.282 0.000 0.970 13 S CA 1.070 59.466 58.200 0.327 0.000 0.912 13 S CB 0.118 63.437 63.200 0.198 0.000 0.790 13 S HN 0.609 nan 8.310 nan 0.000 0.504 14 Y N 1.789 122.229 120.300 0.234 0.000 2.478 14 Y HA 0.596 5.146 4.550 0.001 0.000 0.261 14 Y C 0.997 176.925 175.900 0.046 0.000 1.127 14 Y CA 0.117 58.285 58.100 0.112 0.000 1.288 14 Y CB 0.608 39.030 38.460 -0.063 0.000 1.084 14 Y HN 0.462 nan 8.280 nan 0.000 0.530 15 A N 0.156 123.090 122.820 0.191 0.000 2.509 15 A HA 0.613 4.933 4.320 0.001 0.000 0.282 15 A C -1.792 175.838 177.584 0.076 0.000 1.054 15 A CA -0.510 51.550 52.037 0.039 0.000 0.820 15 A CB -0.111 19.015 19.000 0.211 0.000 1.333 15 A HN 0.246 nan 8.150 nan 0.000 0.409 16 Y N 0.752 120.972 120.300 -0.132 0.000 2.592 16 Y HA 0.862 5.413 4.550 0.002 0.000 0.334 16 Y C -3.348 172.438 175.900 -0.189 0.000 1.136 16 Y CA -2.745 55.292 58.100 -0.105 0.000 1.042 16 Y CB 1.283 39.781 38.460 0.063 0.000 1.325 16 Y HN 0.365 nan 8.280 nan 0.000 0.457 17 P HA 0.356 nan 4.420 nan 0.000 0.281 17 P C 0.175 177.571 177.300 0.160 0.000 1.249 17 P CA -0.390 62.708 63.100 -0.004 0.000 0.810 17 P CB 2.356 34.071 31.700 0.025 0.000 1.008 18 I N -0.890 119.714 120.570 0.056 0.000 4.139 18 I HA 0.257 4.428 4.170 0.001 0.000 0.335 18 I C 0.345 176.488 176.117 0.044 0.000 1.327 18 I CA -0.171 61.179 61.300 0.084 0.000 1.112 18 I CB 0.345 38.368 38.000 0.039 0.000 1.058 18 I HN 0.338 nan 8.210 nan 0.000 0.396 19 S N -0.344 115.371 115.700 0.025 0.000 2.661 19 S HA 0.351 4.822 4.470 0.001 0.000 0.268 19 S C 0.150 174.761 174.600 0.018 0.000 1.162 19 S CA -0.600 57.613 58.200 0.022 0.000 0.817 19 S CB 1.357 64.558 63.200 0.002 0.000 1.141 19 S HN 0.197 nan 8.310 nan 0.000 0.477 20 E N 0.611 120.823 120.200 0.020 0.000 2.204 20 E HA -0.032 4.319 4.350 0.001 0.000 0.194 20 E C 0.886 177.470 176.600 -0.028 0.000 0.989 20 E CA 1.541 57.949 56.400 0.013 0.000 0.824 20 E CB -0.157 29.557 29.700 0.024 0.000 0.756 20 E HN 0.797 nan 8.360 nan 0.000 0.477 21 T N -2.412 112.122 114.554 -0.033 0.000 3.288 21 T HA 0.218 4.569 4.350 0.001 0.000 0.293 21 T C -0.023 174.638 174.700 -0.066 0.000 1.008 21 T CA -0.518 61.552 62.100 -0.050 0.000 0.929 21 T CB 0.284 69.134 68.868 -0.029 0.000 1.152 21 T HN -0.124 nan 8.240 nan 0.000 0.517 22 Q N 1.153 120.901 119.800 -0.086 0.000 2.274 22 Q HA 0.615 4.955 4.340 0.001 0.000 0.268 22 Q C -1.940 173.942 176.000 -0.196 0.000 1.015 22 Q CA -0.905 54.822 55.803 -0.127 0.000 0.775 22 Q CB 2.815 31.497 28.738 -0.092 0.000 1.256 22 Q HN 0.241 nan 8.270 nan 0.000 0.442 23 L N 2.530 123.575 121.223 -0.297 0.000 2.287 23 L HA 0.514 4.855 4.340 0.001 0.000 0.287 23 L C -0.834 175.756 176.870 -0.466 0.000 1.022 23 L CA -0.365 54.218 54.840 -0.428 0.000 0.814 23 L CB 1.161 42.900 42.059 -0.533 0.000 1.217 23 L HN 0.472 nan 8.230 nan 0.000 0.420 24 R N 3.991 124.164 120.500 -0.545 0.000 2.308 24 R HA 0.686 5.027 4.340 0.001 0.000 0.305 24 R C -1.295 174.671 176.300 -0.555 0.000 1.053 24 R CA -0.315 55.448 56.100 -0.562 0.000 0.957 24 R CB 0.936 30.785 30.300 -0.751 0.000 1.022 24 R HN 0.528 nan 8.270 nan 0.000 0.461 25 V N 1.521 121.235 119.914 -0.333 0.000 2.735 25 V HA 0.732 4.853 4.120 0.001 0.000 0.310 25 V C -0.616 175.512 176.094 0.058 0.000 1.061 25 V CA -1.005 61.220 62.300 -0.124 0.000 0.913 25 V CB 2.135 33.855 31.823 -0.172 0.000 1.005 25 V HN 0.774 nan 8.190 nan 0.000 0.428 26 R N 3.017 123.643 120.500 0.209 0.000 2.807 26 R HA 0.857 5.197 4.340 0.001 0.000 0.276 26 R C -1.549 175.049 176.300 0.497 0.000 0.979 26 R CA -0.803 55.430 56.100 0.221 0.000 0.928 26 R CB 2.714 32.964 30.300 -0.082 0.000 1.191 26 R HN 0.880 nan 8.270 nan 0.000 0.471 27 L N 1.694 123.156 121.223 0.399 0.000 2.482 27 L HA 0.578 4.919 4.340 0.001 0.000 0.263 27 L C -1.314 175.781 176.870 0.375 0.000 0.957 27 L CA -0.796 54.239 54.840 0.324 0.000 0.836 27 L CB 2.116 44.059 42.059 -0.193 0.000 1.324 27 L HN 0.729 nan 8.230 nan 0.000 0.406 28 R N 4.242 124.933 120.500 0.318 0.000 2.637 28 R HA 0.976 5.316 4.340 0.001 0.000 0.291 28 R C -1.554 174.803 176.300 0.094 0.000 0.963 28 R CA -0.430 55.708 56.100 0.063 0.000 0.901 28 R CB 2.062 32.206 30.300 -0.260 0.000 1.160 28 R HN 0.669 nan 8.270 nan 0.000 0.457 29 A N 2.250 125.155 122.820 0.142 0.000 2.527 29 A HA 0.439 4.759 4.320 0.001 0.000 0.293 29 A C -1.141 176.592 177.584 0.247 0.000 1.117 29 A CA -1.076 51.080 52.037 0.198 0.000 0.723 29 A CB 1.468 20.599 19.000 0.219 0.000 1.313 29 A HN 0.843 nan 8.150 nan 0.000 0.411 30 K N 1.307 121.819 120.400 0.187 0.000 2.511 30 K HA -0.011 4.310 4.320 0.001 0.000 0.280 30 K C 0.224 176.842 176.600 0.031 0.000 1.008 30 K CA 0.104 56.423 56.287 0.053 0.000 1.050 30 K CB 0.335 32.824 32.500 -0.017 0.000 0.889 30 K HN 0.647 nan 8.250 nan 0.000 0.484 31 K N 3.164 123.539 120.400 -0.040 0.000 2.491 31 K HA -0.128 4.193 4.320 0.001 0.000 0.279 31 K C 0.681 177.285 176.600 0.008 0.000 1.026 31 K CA 1.309 57.586 56.287 -0.017 0.000 1.070 31 K CB -0.167 32.303 32.500 -0.051 0.000 0.887 31 K HN 0.912 nan 8.250 nan 0.000 0.481 32 G N 4.140 112.968 108.800 0.048 0.000 2.284 32 G HA2 -0.285 3.676 3.960 0.001 0.000 0.247 32 G HA3 -0.285 3.676 3.960 0.001 0.000 0.247 32 G C 0.698 175.638 174.900 0.066 0.000 1.012 32 G CA 0.418 45.551 45.100 0.055 0.000 0.618 32 G HN 0.763 nan 8.290 nan 0.000 0.521 33 D N 0.142 120.581 120.400 0.065 0.000 2.117 33 D HA 0.114 4.755 4.640 0.001 0.000 0.197 33 D C 1.403 177.741 176.300 0.063 0.000 0.987 33 D CA 1.505 55.534 54.000 0.048 0.000 0.829 33 D CB 0.061 40.879 40.800 0.031 0.000 0.961 33 D HN 0.437 nan 8.370 nan 0.000 0.460 34 V N 0.515 120.511 119.914 0.137 0.000 2.459 34 V HA 0.182 4.302 4.120 0.001 0.000 0.295 34 V C 1.068 177.263 176.094 0.168 0.000 1.029 34 V CA -0.444 61.910 62.300 0.089 0.000 0.874 34 V CB 2.324 34.131 31.823 -0.026 0.000 0.985 34 V HN -0.190 nan 8.190 nan 0.000 0.438 35 V N 3.827 123.777 119.914 0.061 0.000 3.263 35 V HA 0.289 4.410 4.120 0.001 0.000 0.248 35 V C 0.757 176.885 176.094 0.058 0.000 1.145 35 V CA 0.653 63.012 62.300 0.097 0.000 1.107 35 V CB 0.155 32.014 31.823 0.060 0.000 0.797 35 V HN 0.805 nan 8.190 nan 0.000 0.467 36 R N -0.448 120.012 120.500 -0.067 0.000 2.564 36 R HA 0.540 4.881 4.340 0.001 0.000 0.284 36 R C -1.977 174.171 176.300 -0.253 0.000 1.031 36 R CA -0.322 55.720 56.100 -0.097 0.000 0.904 36 R CB 1.906 32.189 30.300 -0.028 0.000 1.199 36 R HN 0.243 nan 8.270 nan 0.000 0.443 37 C N 3.875 122.992 119.300 -0.306 0.000 2.346 37 C HA 0.540 5.001 4.460 0.001 0.000 0.326 37 C C -0.658 174.317 174.990 -0.026 0.000 1.224 37 C CA -0.254 58.588 59.018 -0.292 0.000 1.408 37 C CB 0.950 28.288 27.740 -0.670 0.000 2.089 37 C HN 0.974 nan 8.230 nan 0.000 0.456 38 E N 3.729 123.959 120.200 0.051 0.000 2.256 38 E HA 0.722 5.073 4.350 0.001 0.000 0.267 38 E C -1.441 175.221 176.600 0.103 0.000 0.892 38 E CA -0.516 55.935 56.400 0.086 0.000 0.775 38 E CB 2.144 31.887 29.700 0.071 0.000 1.207 38 E HN 0.585 nan 8.360 nan 0.000 0.420 39 V N 4.770 124.710 119.914 0.044 0.000 2.417 39 V HA 0.361 4.481 4.120 0.001 0.000 0.291 39 V C -0.274 175.836 176.094 0.027 0.000 1.024 39 V CA -0.710 61.542 62.300 -0.080 0.000 0.861 39 V CB 1.203 32.875 31.823 -0.252 0.000 0.985 39 V HN 0.571 nan 8.190 nan 0.000 0.436 40 L N 6.762 127.985 121.223 -0.001 0.000 2.280 40 L HA 0.662 5.003 4.340 0.001 0.000 0.287 40 L C -0.629 176.296 176.870 0.093 0.000 1.023 40 L CA -0.523 54.285 54.840 -0.054 0.000 0.819 40 L CB 0.924 42.919 42.059 -0.106 0.000 1.212 40 L HN 0.822 nan 8.230 nan 0.000 0.420 41 Y N 2.207 122.445 120.300 -0.103 0.000 2.677 41 Y HA 0.966 5.517 4.550 0.002 0.000 0.334 41 Y C -0.711 175.175 175.900 -0.023 0.000 1.154 41 Y CA -1.086 56.995 58.100 -0.032 0.000 1.070 41 Y CB 1.902 40.347 38.460 -0.025 0.000 1.294 41 Y HN 0.568 nan 8.280 nan 0.000 0.475 42 A N 0.773 123.655 122.820 0.103 0.000 2.540 42 A HA 0.430 4.750 4.320 0.001 0.000 0.291 42 A C -1.924 175.720 177.584 0.100 0.000 1.083 42 A CA -0.595 51.447 52.037 0.008 0.000 0.650 42 A CB 0.929 19.905 19.000 -0.039 0.000 1.292 42 A HN 0.915 nan 8.150 nan 0.000 0.435 43 D N -0.298 120.147 120.400 0.074 0.000 2.423 43 D HA 0.212 4.853 4.640 0.001 0.000 0.238 43 D C 1.138 177.494 176.300 0.094 0.000 1.142 43 D CA 0.147 54.212 54.000 0.107 0.000 0.884 43 D CB 0.629 41.495 40.800 0.109 0.000 1.199 43 D HN 0.433 nan 8.370 nan 0.000 0.438 44 R N 1.921 122.483 120.500 0.104 0.000 2.293 44 R HA -0.137 4.204 4.340 0.001 0.000 0.219 44 R C 0.456 176.623 176.300 -0.221 0.000 1.091 44 R CA 0.954 57.024 56.100 -0.051 0.000 1.004 44 R CB -0.086 30.163 30.300 -0.085 0.000 0.865 44 R HN 0.603 nan 8.270 nan 0.000 0.469 45 Y N -0.674 119.640 120.300 0.023 0.000 2.584 45 Y HA 0.359 4.910 4.550 0.001 0.000 0.254 45 Y C 0.614 176.517 175.900 0.005 0.000 1.177 45 Y CA -0.716 57.392 58.100 0.014 0.000 1.216 45 Y CB 0.392 38.864 38.460 0.021 0.000 1.172 45 Y HN -0.053 nan 8.280 nan 0.000 0.529 46 A N 0.540 123.420 122.820 0.100 0.000 2.498 46 A HA 0.260 4.581 4.320 0.001 0.000 0.239 46 A C 0.814 178.415 177.584 0.028 0.000 1.068 46 A CA 0.084 52.153 52.037 0.054 0.000 0.766 46 A CB 0.132 19.145 19.000 0.022 0.000 1.003 46 A HN 0.260 nan 8.150 nan 0.000 0.497 47 S N 2.417 118.130 115.700 0.022 0.000 2.572 47 S HA 0.265 4.736 4.470 0.001 0.000 0.279 47 S C -0.898 173.696 174.600 -0.009 0.000 1.341 47 S CA -0.651 57.554 58.200 0.009 0.000 1.043 47 S CB 0.444 63.649 63.200 0.009 0.000 0.887 47 S HN 0.583 nan 8.310 nan 0.000 0.516 48 P HA -0.058 nan 4.420 nan 0.000 0.228 48 P C 0.732 178.017 177.300 -0.026 0.000 1.151 48 P CA 0.828 63.911 63.100 -0.030 0.000 0.770 48 P CB 0.175 31.856 31.700 -0.032 0.000 0.786 49 E N 0.645 120.835 120.200 -0.017 0.000 2.385 49 E HA -0.030 4.320 4.350 0.001 0.000 0.194 49 E C 0.492 177.084 176.600 -0.014 0.000 1.013 49 E CA 0.180 56.572 56.400 -0.015 0.000 0.866 49 E CB -0.277 29.417 29.700 -0.009 0.000 0.832 49 E HN 0.346 nan 8.360 nan 0.000 0.500 50 E N 1.349 121.540 120.200 -0.015 0.000 2.383 50 E HA 0.055 4.406 4.350 0.001 0.000 0.264 50 E C -0.274 176.312 176.600 -0.022 0.000 1.050 50 E CA -0.217 56.174 56.400 -0.016 0.000 0.896 50 E CB 0.623 30.314 29.700 -0.015 0.000 0.982 50 E HN 0.119 nan 8.360 nan 0.000 0.424 51 E N 1.822 122.011 120.200 -0.017 0.000 2.354 51 E HA 0.163 4.513 4.350 0.001 0.000 0.269 51 E C -0.091 176.488 176.600 -0.035 0.000 1.036 51 E CA -0.209 56.186 56.400 -0.009 0.000 0.876 51 E CB 0.842 30.551 29.700 0.015 0.000 1.009 51 E HN 0.337 nan 8.360 nan 0.000 0.416 52 L N 1.479 122.672 121.223 -0.050 0.000 2.436 52 L HA 0.277 4.617 4.340 0.001 0.000 0.265 52 L C 0.720 177.491 176.870 -0.165 0.000 1.168 52 L CA -0.493 54.263 54.840 -0.140 0.000 0.815 52 L CB 0.705 42.662 42.059 -0.170 0.000 1.109 52 L HN 0.479 nan 8.230 nan 0.000 0.462 53 A N 1.284 123.875 122.820 -0.382 0.000 2.304 53 A HA 0.484 4.804 4.320 0.001 0.000 0.271 53 A C -0.870 176.516 177.584 -0.331 0.000 1.091 53 A CA -0.297 51.484 52.037 -0.427 0.000 0.812 53 A CB 0.144 18.525 19.000 -1.031 0.000 1.056 53 A HN 0.727 nan 8.150 nan 0.000 0.489 54 H N -0.592 118.391 119.070 -0.144 0.000 2.495 54 H HA 0.692 5.249 4.556 0.001 0.000 0.348 54 H C -0.201 175.225 175.328 0.163 0.000 1.113 54 H CA 0.333 56.404 56.048 0.039 0.000 1.195 54 H CB 1.848 31.623 29.762 0.022 0.000 1.521 54 H HN 0.864 nan 8.280 nan 0.000 0.509 55 A N 2.984 125.971 122.820 0.278 0.000 2.442 55 A HA 0.419 4.740 4.320 0.001 0.000 0.284 55 A C -1.493 176.161 177.584 0.117 0.000 1.058 55 A CA -0.601 51.550 52.037 0.189 0.000 0.738 55 A CB 0.692 19.772 19.000 0.133 0.000 1.242 55 A HN 0.526 nan 8.150 nan 0.000 0.421 56 L N 2.799 124.086 121.223 0.107 0.000 2.290 56 L HA 0.675 5.015 4.340 0.001 0.000 0.284 56 L C 0.479 177.409 176.870 0.099 0.000 1.078 56 L CA 0.188 55.087 54.840 0.098 0.000 0.815 56 L CB 1.097 43.212 42.059 0.092 0.000 1.162 56 L HN 0.841 nan 8.230 nan 0.000 0.435 57 A N 4.707 127.601 122.820 0.125 0.000 2.260 57 A HA 0.675 4.996 4.320 0.001 0.000 0.312 57 A C 0.439 178.181 177.584 0.263 0.000 1.321 57 A CA -0.021 52.122 52.037 0.178 0.000 0.928 57 A CB -0.121 19.018 19.000 0.232 0.000 1.158 57 A HN 0.885 nan 8.150 nan 0.000 0.542 58 G N 1.152 110.083 108.800 0.217 0.000 2.572 58 G HA2 0.387 4.348 3.960 0.001 0.000 0.261 58 G HA3 0.387 4.348 3.960 0.001 0.000 0.261 58 G C 0.067 175.125 174.900 0.264 0.000 1.197 58 G CA -0.649 44.592 45.100 0.235 0.000 0.870 58 G HN 0.798 nan 8.290 nan 0.000 0.548 59 K N 0.609 121.120 120.400 0.184 0.000 2.338 59 K HA 0.366 4.687 4.320 0.001 0.000 0.290 59 K C 1.032 177.631 176.600 -0.003 0.000 1.069 59 K CA -0.006 56.243 56.287 -0.064 0.000 0.941 59 K CB 0.523 32.953 32.500 -0.117 0.000 1.023 59 K HN 0.389 nan 8.250 nan 0.000 0.477 60 A N 3.672 126.493 122.820 0.002 0.000 2.218 60 A HA 0.269 4.590 4.320 0.001 0.000 0.209 60 A C 0.691 178.289 177.584 0.024 0.000 1.168 60 A CA 0.803 52.856 52.037 0.026 0.000 0.804 60 A CB 0.083 19.099 19.000 0.026 0.000 0.834 60 A HN 0.861 nan 8.150 nan 0.000 0.482 61 G N -2.501 106.321 108.800 0.037 0.000 2.313 61 G HA2 0.475 4.436 3.960 0.001 0.000 0.296 61 G HA3 0.475 4.436 3.960 0.001 0.000 0.296 61 G C -1.295 173.709 174.900 0.174 0.000 1.356 61 G CA 0.117 45.266 45.100 0.081 0.000 0.833 61 G HN 0.573 nan 8.290 nan 0.000 0.552 62 S N -0.014 115.806 115.700 0.201 0.000 2.535 62 S HA 0.649 5.120 4.470 0.001 0.000 0.272 62 S C -0.846 173.885 174.600 0.219 0.000 1.149 62 S CA -0.441 57.893 58.200 0.224 0.000 0.888 62 S CB 2.188 65.442 63.200 0.090 0.000 1.110 62 S HN 1.076 nan 8.310 nan 0.000 0.463 63 D N 1.054 121.621 120.400 0.279 0.000 2.535 63 D HA 0.371 5.012 4.640 0.001 0.000 0.240 63 D C 0.942 177.298 176.300 0.093 0.000 1.200 63 D CA -0.497 53.616 54.000 0.189 0.000 1.088 63 D CB -0.161 40.806 40.800 0.277 0.000 1.197 63 D HN 0.465 nan 8.370 nan 0.000 0.620 64 E N -1.102 119.132 120.200 0.056 0.000 2.107 64 E HA -0.013 4.337 4.350 0.001 0.000 0.191 64 E C 1.813 178.356 176.600 -0.095 0.000 0.982 64 E CA 0.854 57.247 56.400 -0.010 0.000 0.809 64 E CB 0.215 29.906 29.700 -0.015 0.000 0.756 64 E HN 0.274 nan 8.360 nan 0.000 0.459 65 R N -1.613 118.768 120.500 -0.199 0.000 2.369 65 R HA 0.201 4.542 4.340 0.001 0.000 0.210 65 R C -0.150 175.755 176.300 -0.658 0.000 0.881 65 R CA -0.084 55.705 56.100 -0.518 0.000 1.031 65 R CB 0.710 30.489 30.300 -0.868 0.000 1.184 65 R HN -0.054 nan 8.270 nan 0.000 0.581 66 F N 0.214 120.114 119.950 -0.083 0.000 2.618 66 F HA 0.420 4.947 4.527 0.001 0.000 0.332 66 F C -0.069 175.572 175.800 -0.266 0.000 1.061 66 F CA -1.325 56.543 58.000 -0.221 0.000 0.974 66 F CB 1.159 39.894 39.000 -0.441 0.000 1.310 66 F HN -0.311 nan 8.300 nan 0.000 0.491 67 D N -0.099 120.231 120.400 -0.117 0.000 2.252 67 D HA 0.337 4.977 4.640 0.001 0.000 0.245 67 D C -1.475 174.536 176.300 -0.481 0.000 1.009 67 D CA -0.264 53.586 54.000 -0.250 0.000 0.870 67 D CB 1.630 42.268 40.800 -0.271 0.000 1.251 67 D HN 0.312 nan 8.370 nan 0.000 0.460 68 Y N 1.074 121.201 120.300 -0.288 0.000 2.326 68 Y HA 0.387 4.937 4.550 0.001 0.000 0.331 68 Y C -0.390 175.321 175.900 -0.316 0.000 0.962 68 Y CA -0.839 57.160 58.100 -0.168 0.000 1.167 68 Y CB 0.897 39.318 38.460 -0.066 0.000 1.148 68 Y HN 0.153 nan 8.280 nan 0.000 0.463 69 F N 1.794 121.854 119.950 0.183 0.000 2.422 69 F HA 0.510 5.038 4.527 0.002 0.000 0.333 69 F C 0.193 176.071 175.800 0.130 0.000 1.095 69 F CA -0.854 57.228 58.000 0.137 0.000 1.038 69 F CB 1.552 40.618 39.000 0.109 0.000 1.156 69 F HN 0.383 nan 8.300 nan 0.000 0.483 70 E N 1.494 121.853 120.200 0.265 0.000 2.292 70 E HA 0.785 5.136 4.350 0.001 0.000 0.272 70 E C -1.713 174.951 176.600 0.107 0.000 0.881 70 E CA -0.780 55.706 56.400 0.144 0.000 0.754 70 E CB 2.005 31.745 29.700 0.067 0.000 1.201 70 E HN 0.760 nan 8.360 nan 0.000 0.425 71 A N 3.117 125.959 122.820 0.036 0.000 2.527 71 A HA 0.709 5.030 4.320 0.001 0.000 0.293 71 A C -1.975 175.529 177.584 -0.134 0.000 1.117 71 A CA -0.706 51.317 52.037 -0.024 0.000 0.723 71 A CB 1.518 20.509 19.000 -0.015 0.000 1.313 71 A HN 0.454 nan 8.150 nan 0.000 0.411 72 L N 1.151 122.289 121.223 -0.142 0.000 2.325 72 L HA 0.652 4.993 4.340 0.001 0.000 0.281 72 L C -1.311 175.404 176.870 -0.259 0.000 1.004 72 L CA -0.275 54.449 54.840 -0.195 0.000 0.823 72 L CB 1.037 43.025 42.059 -0.118 0.000 1.236 72 L HN 0.580 nan 8.230 nan 0.000 0.415 73 L N 4.809 125.785 121.223 -0.412 0.000 2.272 73 L HA 0.484 4.824 4.340 0.001 0.000 0.289 73 L C -0.058 176.627 176.870 -0.308 0.000 1.032 73 L CA -0.724 53.739 54.840 -0.629 0.000 0.810 73 L CB 1.162 42.583 42.059 -1.063 0.000 1.205 73 L HN 0.475 nan 8.230 nan 0.000 0.422 74 E N 2.708 122.878 120.200 -0.050 0.000 2.070 74 E HA 0.160 4.510 4.350 0.001 0.000 0.282 74 E C -0.901 175.775 176.600 0.127 0.000 1.104 74 E CA -0.133 56.297 56.400 0.051 0.000 0.876 74 E CB 1.140 30.903 29.700 0.104 0.000 1.055 74 E HN 0.516 nan 8.360 nan 0.000 0.401 75 C N 3.030 122.345 119.300 0.025 0.000 2.439 75 C HA 0.191 4.652 4.460 0.001 0.000 0.298 75 C C 1.858 176.849 174.990 0.003 0.000 1.094 75 C CA -0.617 58.424 59.018 0.039 0.000 1.609 75 C CB -0.735 26.993 27.740 -0.020 0.000 1.723 75 C HN 0.623 nan 8.230 nan 0.000 0.423 76 S N 1.665 117.378 115.700 0.020 0.000 2.419 76 S HA -0.166 4.304 4.470 0.001 0.000 0.235 76 S C 2.120 176.710 174.600 -0.017 0.000 1.019 76 S CA 2.201 60.401 58.200 0.001 0.000 0.982 76 S CB -0.143 63.063 63.200 0.011 0.000 0.789 76 S HN 0.942 nan 8.310 nan 0.000 0.490 77 T N -1.082 113.464 114.554 -0.012 0.000 3.081 77 T HA 0.193 4.543 4.350 0.001 0.000 0.255 77 T C 0.624 175.247 174.700 -0.129 0.000 1.113 77 T CA 0.310 62.392 62.100 -0.029 0.000 1.082 77 T CB -0.365 68.515 68.868 0.021 0.000 0.939 77 T HN 0.410 nan 8.240 nan 0.000 0.506 78 K N 0.115 120.419 120.400 -0.160 0.000 3.407 78 K HA -0.160 4.160 4.320 0.001 0.000 0.312 78 K C -0.414 175.971 176.600 -0.359 0.000 1.302 78 K CA 0.746 56.836 56.287 -0.328 0.000 0.931 78 K CB -1.308 30.834 32.500 -0.595 0.000 1.257 78 K HN 0.521 nan 8.250 nan 0.000 0.454 79 R N 0.385 120.815 120.500 -0.117 0.000 2.538 79 R HA 0.601 4.942 4.340 0.001 0.000 0.292 79 R C -1.273 175.092 176.300 0.110 0.000 1.008 79 R CA -0.746 55.372 56.100 0.031 0.000 0.896 79 R CB 2.700 33.081 30.300 0.135 0.000 1.187 79 R HN -0.012 nan 8.270 nan 0.000 0.440 80 V N 3.141 123.156 119.914 0.170 0.000 2.888 80 V HA 0.558 4.678 4.120 0.001 0.000 0.309 80 V C -1.542 174.707 176.094 0.258 0.000 1.114 80 V CA -0.738 61.690 62.300 0.213 0.000 0.940 80 V CB 2.276 34.213 31.823 0.189 0.000 1.021 80 V HN 0.802 nan 8.190 nan 0.000 0.426 81 K N 5.571 126.102 120.400 0.218 0.000 2.316 81 K HA 0.817 5.138 4.320 0.001 0.000 0.251 81 K C -1.643 175.071 176.600 0.190 0.000 0.934 81 K CA -0.662 55.682 56.287 0.096 0.000 0.802 81 K CB 2.197 34.683 32.500 -0.022 0.000 1.171 81 K HN 0.786 nan 8.250 nan 0.000 0.426 82 Y N -1.731 118.564 120.300 -0.009 0.000 2.638 82 Y HA 0.723 5.274 4.550 0.001 0.000 0.335 82 Y C -1.768 174.056 175.900 -0.127 0.000 1.155 82 Y CA -1.402 56.653 58.100 -0.075 0.000 1.046 82 Y CB 1.452 39.808 38.460 -0.173 0.000 1.303 82 Y HN 0.385 nan 8.280 nan 0.000 0.460 83 V N 2.246 122.140 119.914 -0.033 0.000 2.971 83 V HA 0.631 4.751 4.120 0.001 0.000 0.309 83 V C -1.747 174.327 176.094 -0.033 0.000 1.130 83 V CA -1.143 61.132 62.300 -0.043 0.000 0.964 83 V CB 1.960 33.787 31.823 0.008 0.000 1.029 83 V HN 0.708 nan 8.190 nan 0.000 0.427 84 F N 5.598 125.659 119.950 0.185 0.000 2.399 84 F HA 0.659 5.187 4.527 0.001 0.000 0.334 84 F C -0.107 175.775 175.800 0.137 0.000 1.097 84 F CA -0.540 57.562 58.000 0.171 0.000 1.076 84 F CB 1.738 40.874 39.000 0.226 0.000 1.162 84 F HN 0.359 nan 8.300 nan 0.000 0.495 85 L N 5.156 126.499 121.223 0.200 0.000 2.318 85 L HA 0.533 4.874 4.340 0.001 0.000 0.277 85 L C -1.388 175.453 176.870 -0.048 0.000 1.008 85 L CA -0.432 54.353 54.840 -0.090 0.000 0.846 85 L CB 0.629 42.594 42.059 -0.157 0.000 1.220 85 L HN 0.449 nan 8.230 nan 0.000 0.423 86 L N 4.644 125.831 121.223 -0.061 0.000 2.296 86 L HA 0.594 4.935 4.340 0.001 0.000 0.286 86 L C -0.093 176.717 176.870 -0.099 0.000 1.023 86 L CA -0.463 54.330 54.840 -0.079 0.000 0.812 86 L CB 1.649 43.689 42.059 -0.032 0.000 1.223 86 L HN 0.507 nan 8.230 nan 0.000 0.421 87 T N 1.720 116.214 114.554 -0.100 0.000 2.779 87 T HA 0.473 4.824 4.350 0.001 0.000 0.280 87 T C 0.518 175.191 174.700 -0.046 0.000 0.987 87 T CA -0.505 61.554 62.100 -0.067 0.000 0.966 87 T CB 1.730 70.568 68.868 -0.050 0.000 0.933 87 T HN 0.745 nan 8.240 nan 0.000 0.442 88 G N 2.932 111.714 108.800 -0.031 0.000 2.621 88 G HA2 0.369 4.330 3.960 0.001 0.000 0.271 88 G HA3 0.369 4.330 3.960 0.001 0.000 0.271 88 G C -1.585 173.315 174.900 -0.000 0.000 1.236 88 G CA -1.441 43.651 45.100 -0.014 0.000 0.958 88 G HN 0.388 nan 8.290 nan 0.000 0.512 89 P HA -0.103 nan 4.420 nan 0.000 0.216 89 P C 1.597 178.903 177.300 0.011 0.000 1.150 89 P CA 1.057 64.167 63.100 0.016 0.000 0.837 89 P CB 0.246 31.957 31.700 0.018 0.000 0.786 90 Q N -1.693 118.110 119.800 0.005 0.000 2.444 90 Q HA 0.170 4.510 4.340 0.001 0.000 0.206 90 Q C 1.495 177.498 176.000 0.004 0.000 0.948 90 Q CA 1.093 56.899 55.803 0.004 0.000 0.946 90 Q CB -0.528 28.211 28.738 0.002 0.000 1.027 90 Q HN 0.335 nan 8.270 nan 0.000 0.513 91 G N 1.205 110.006 108.800 0.001 0.000 2.163 91 G HA2 -0.267 3.694 3.960 0.001 0.000 0.213 91 G HA3 -0.267 3.694 3.960 0.001 0.000 0.213 91 G C -0.050 174.846 174.900 -0.006 0.000 0.991 91 G CA 0.136 45.236 45.100 -0.000 0.000 0.653 91 G HN 0.375 nan 8.290 nan 0.000 0.518 92 E N 0.662 120.856 120.200 -0.009 0.000 2.452 92 E HA 0.478 4.828 4.350 0.001 0.000 0.261 92 E C 0.345 176.929 176.600 -0.027 0.000 0.987 92 E CA 0.389 56.781 56.400 -0.012 0.000 0.926 92 E CB 0.508 30.199 29.700 -0.015 0.000 0.934 92 E HN 0.934 nan 8.360 nan 0.000 0.452 93 A N 4.493 127.296 122.820 -0.028 0.000 2.330 93 A HA 0.509 4.830 4.320 0.001 0.000 0.313 93 A C -1.293 176.249 177.584 -0.070 0.000 1.124 93 A CA -0.671 51.320 52.037 -0.076 0.000 0.774 93 A CB 1.766 20.714 19.000 -0.087 0.000 1.198 93 A HN 0.406 nan 8.150 nan 0.000 0.465 94 V N 3.676 123.531 119.914 -0.098 0.000 2.709 94 V HA 0.649 4.769 4.120 0.001 0.000 0.308 94 V C -1.723 174.365 176.094 -0.010 0.000 1.062 94 V CA -0.654 61.656 62.300 0.017 0.000 0.901 94 V CB 1.672 33.553 31.823 0.097 0.000 1.003 94 V HN 0.792 nan 8.190 nan 0.000 0.425 95 Y N 5.711 126.136 120.300 0.209 0.000 2.310 95 Y HA 0.532 5.082 4.550 0.001 0.000 0.326 95 Y C -0.257 175.839 175.900 0.327 0.000 1.151 95 Y CA -0.194 58.038 58.100 0.220 0.000 1.195 95 Y CB 1.597 40.128 38.460 0.118 0.000 1.210 95 Y HN 0.660 nan 8.280 nan 0.000 0.483 96 F N 2.697 122.805 119.950 0.265 0.000 2.539 96 F HA 0.755 5.283 4.527 0.001 0.000 0.328 96 F C -0.181 175.685 175.800 0.110 0.000 1.148 96 F CA -0.363 57.680 58.000 0.071 0.000 0.940 96 F CB 0.868 39.959 39.000 0.152 0.000 1.194 96 F HN 0.590 nan 8.300 nan 0.000 0.438 97 G N 3.718 112.219 108.800 -0.499 0.000 3.022 97 G HA2 0.147 4.108 3.960 0.001 0.000 0.284 97 G HA3 0.147 4.108 3.960 0.001 0.000 0.284 97 G C -0.072 173.895 174.900 -1.555 0.000 1.375 97 G CA -0.439 44.048 45.100 -1.021 0.000 0.902 97 G HN 0.686 nan 8.290 nan 0.000 0.538 98 E N -0.969 118.176 120.200 -1.757 0.000 2.118 98 E HA -0.164 4.187 4.350 0.001 0.000 0.195 98 E C 2.081 178.354 176.600 -0.544 0.000 0.992 98 E CA 2.015 57.721 56.400 -1.156 0.000 0.804 98 E CB -0.080 29.188 29.700 -0.720 0.000 0.741 98 E HN 0.417 nan 8.360 nan 0.000 0.458 99 T N -0.538 113.756 114.554 -0.433 0.000 2.812 99 T HA 0.165 4.515 4.350 0.001 0.000 0.264 99 T C 0.753 175.355 174.700 -0.163 0.000 1.042 99 T CA 0.913 62.874 62.100 -0.232 0.000 1.140 99 T CB 0.239 68.999 68.868 -0.179 0.000 0.870 99 T HN 0.491 nan 8.240 nan 0.000 0.445 100 G N -0.096 108.578 108.800 -0.210 0.000 2.403 100 G HA2 0.346 4.306 3.960 0.001 0.000 0.223 100 G HA3 0.346 4.306 3.960 0.001 0.000 0.223 100 G C -1.810 172.995 174.900 -0.159 0.000 1.287 100 G CA -1.097 43.919 45.100 -0.140 0.000 0.982 100 G HN 0.167 nan 8.290 nan 0.000 0.471 101 F N 0.791 120.861 119.950 0.200 0.000 2.470 101 F HA 0.860 5.387 4.527 0.001 0.000 0.329 101 F C 0.749 176.631 175.800 0.136 0.000 1.072 101 F CA -0.053 58.064 58.000 0.196 0.000 0.989 101 F CB 2.352 41.419 39.000 0.112 0.000 1.193 101 F HN 0.665 nan 8.300 nan 0.000 0.481 102 S N 0.091 116.003 115.700 0.354 0.000 2.608 102 S HA 0.532 5.002 4.470 0.001 0.000 0.285 102 S C 0.032 174.808 174.600 0.293 0.000 1.108 102 S CA -0.078 58.268 58.200 0.244 0.000 0.858 102 S CB 0.923 64.215 63.200 0.154 0.000 1.077 102 S HN 0.892 nan 8.310 nan 0.000 0.450 103 A N 2.275 125.227 122.820 0.221 0.000 2.119 103 A HA 0.228 4.548 4.320 0.001 0.000 0.217 103 A C 0.609 178.373 177.584 0.301 0.000 1.153 103 A CA 0.789 52.976 52.037 0.250 0.000 0.692 103 A CB -0.256 18.831 19.000 0.145 0.000 0.799 103 A HN 0.741 nan 8.150 nan 0.000 0.458 104 E N -0.372 119.923 120.200 0.158 0.000 2.115 104 E HA 0.254 4.604 4.350 0.001 0.000 0.282 104 E C 0.639 177.128 176.600 -0.186 0.000 0.987 104 E CA -0.513 55.882 56.400 -0.009 0.000 0.797 104 E CB 1.264 30.953 29.700 -0.019 0.000 1.086 104 E HN 0.427 nan 8.360 nan 0.000 0.397 105 R N 2.325 122.426 120.500 -0.665 0.000 2.094 105 R HA -0.224 4.116 4.340 0.001 0.000 0.239 105 R C 2.196 178.277 176.300 -0.366 0.000 1.137 105 R CA 2.549 58.090 56.100 -0.931 0.000 0.943 105 R CB -0.207 29.393 30.300 -1.165 0.000 0.850 105 R HN 0.565 nan 8.270 nan 0.000 0.433 106 S N 0.228 115.770 115.700 -0.264 0.000 2.383 106 S HA -0.168 4.303 4.470 0.001 0.000 0.229 106 S C 1.704 176.227 174.600 -0.128 0.000 1.030 106 S CA 1.467 59.566 58.200 -0.169 0.000 1.002 106 S CB -0.253 62.870 63.200 -0.129 0.000 0.829 106 S HN 0.429 nan 8.310 nan 0.000 0.467 107 K N 1.161 121.502 120.400 -0.099 0.000 2.365 107 K HA 0.231 4.551 4.320 0.001 0.000 0.199 107 K C 2.245 178.812 176.600 -0.055 0.000 1.045 107 K CA 0.745 56.997 56.287 -0.058 0.000 0.962 107 K CB -0.319 32.170 32.500 -0.018 0.000 0.759 107 K HN 0.547 nan 8.250 nan 0.000 0.469 108 A N 1.444 124.228 122.820 -0.059 0.000 2.067 108 A HA 0.162 4.483 4.320 0.001 0.000 0.217 108 A C 1.087 178.554 177.584 -0.195 0.000 1.156 108 A CA 1.017 53.018 52.037 -0.060 0.000 0.683 108 A CB -0.433 18.599 19.000 0.052 0.000 0.808 108 A HN 0.389 nan 8.150 nan 0.000 0.455 109 G N -1.598 107.084 108.800 -0.196 0.000 2.750 109 G HA2 0.103 4.064 3.960 0.001 0.000 0.228 109 G HA3 0.103 4.064 3.960 0.001 0.000 0.228 109 G C -0.142 174.558 174.900 -0.332 0.000 1.367 109 G CA 0.246 45.191 45.100 -0.257 0.000 0.871 109 G HN 1.823 nan 8.290 nan 0.000 0.560 110 V N -3.521 116.161 119.914 -0.387 0.000 2.841 110 V HA 0.804 4.925 4.120 0.001 0.000 0.310 110 V C 0.132 175.894 176.094 -0.554 0.000 1.090 110 V CA -1.436 60.608 62.300 -0.427 0.000 0.930 110 V CB 1.611 33.274 31.823 -0.267 0.000 1.014 110 V HN 1.034 nan 8.190 nan 0.000 0.425 111 F N 1.728 121.305 119.950 -0.622 0.000 2.410 111 F HA 0.590 5.118 4.527 0.001 0.000 0.334 111 F C 0.878 176.300 175.800 -0.631 0.000 1.134 111 F CA 0.218 57.820 58.000 -0.663 0.000 1.227 111 F CB 1.032 39.468 39.000 -0.938 0.000 1.194 111 F HN 0.553 nan 8.300 nan 0.000 0.571 112 Q N 1.614 121.355 119.800 -0.099 0.000 2.305 112 Q HA 0.219 4.560 4.340 0.001 0.000 0.271 112 Q C -1.811 174.289 176.000 0.168 0.000 1.046 112 Q CA -0.870 54.936 55.803 0.005 0.000 0.798 112 Q CB 2.689 31.405 28.738 -0.037 0.000 1.286 112 Q HN 0.607 nan 8.270 nan 0.000 0.435 113 Y N 1.598 122.004 120.300 0.176 0.000 2.854 113 Y HA 0.350 4.901 4.550 0.001 0.000 0.330 113 Y C 0.884 176.861 175.900 0.128 0.000 1.037 113 Y CA -0.179 58.028 58.100 0.177 0.000 1.263 113 Y CB 0.334 38.914 38.460 0.200 0.000 1.120 113 Y HN 0.946 nan 8.280 nan 0.000 0.532 114 A N 4.688 127.499 122.820 -0.016 0.000 1.882 114 A HA -0.254 4.067 4.320 0.001 0.000 0.220 114 A C -0.184 177.517 177.584 0.195 0.000 1.253 114 A CA 2.221 54.303 52.037 0.074 0.000 0.664 114 A CB -0.693 18.332 19.000 0.042 0.000 0.838 114 A HN 0.720 nan 8.150 nan 0.000 0.460 115 Y N -2.708 117.598 120.300 0.011 0.000 2.521 115 Y HA 0.537 5.088 4.550 0.001 0.000 0.332 115 Y C -1.145 174.784 175.900 0.047 0.000 1.121 115 Y CA -1.010 57.089 58.100 -0.002 0.000 1.037 115 Y CB 1.354 39.733 38.460 -0.136 0.000 1.330 115 Y HN 0.154 nan 8.280 nan 0.000 0.452 116 I N 5.881 126.330 120.570 -0.202 0.000 2.307 116 I HA 0.225 4.396 4.170 0.001 0.000 0.287 116 I C -0.852 175.295 176.117 0.050 0.000 1.054 116 I CA -0.404 60.931 61.300 0.058 0.000 1.218 116 I CB 0.299 38.291 38.000 -0.015 0.000 1.398 116 I HN 0.597 nan 8.210 nan 0.000 0.475 117 H N 4.990 124.263 119.070 0.339 0.000 2.620 117 H HA 0.188 4.744 4.556 0.001 0.000 0.313 117 H C 1.311 176.751 175.328 0.185 0.000 1.075 117 H CA -0.482 55.746 56.048 0.299 0.000 1.397 117 H CB 1.004 30.901 29.762 0.225 0.000 1.446 117 H HN 0.487 nan 8.280 nan 0.000 0.493 118 R N 1.211 121.863 120.500 0.252 0.000 2.117 118 R HA -0.189 4.151 4.340 0.001 0.000 0.243 118 R C 1.616 178.013 176.300 0.160 0.000 1.143 118 R CA 1.788 57.989 56.100 0.169 0.000 0.968 118 R CB -0.436 29.943 30.300 0.131 0.000 0.863 118 R HN 0.566 nan 8.270 nan 0.000 0.444 119 S N 0.492 116.294 115.700 0.171 0.000 2.507 119 S HA -0.064 4.406 4.470 0.001 0.000 0.235 119 S C 1.200 175.868 174.600 0.113 0.000 0.988 119 S CA 0.921 59.193 58.200 0.119 0.000 0.944 119 S CB 0.011 63.262 63.200 0.085 0.000 0.762 119 S HN 0.579 nan 8.310 nan 0.000 0.526 120 E N 0.667 120.964 120.200 0.161 0.000 2.481 120 E HA 0.195 4.545 4.350 0.001 0.000 0.198 120 E C -0.691 176.006 176.600 0.161 0.000 1.027 120 E CA -0.176 56.310 56.400 0.144 0.000 0.900 120 E CB 0.721 30.534 29.700 0.189 0.000 0.993 120 E HN 0.317 nan 8.360 nan 0.000 0.482 121 V N 2.816 122.831 119.914 0.170 0.000 2.415 121 V HA 0.001 4.122 4.120 0.001 0.000 0.267 121 V C 0.189 176.415 176.094 0.220 0.000 1.042 121 V CA -0.016 62.395 62.300 0.186 0.000 1.000 121 V CB -0.488 31.424 31.823 0.148 0.000 1.015 121 V HN 0.222 nan 8.190 nan 0.000 0.478 122 F N 4.712 124.692 119.950 0.049 0.000 2.549 122 F HA 0.028 4.556 4.527 0.001 0.000 0.400 122 F C 0.657 176.458 175.800 0.002 0.000 1.011 122 F CA 0.436 58.440 58.000 0.007 0.000 1.148 122 F CB 0.344 39.316 39.000 -0.046 0.000 0.993 122 F HN 0.487 nan 8.300 nan 0.000 0.540 123 T N 3.938 118.775 114.554 0.471 0.000 2.881 123 T HA 0.367 4.718 4.350 0.001 0.000 0.290 123 T C -0.313 174.495 174.700 0.179 0.000 1.000 123 T CA -0.717 61.504 62.100 0.201 0.000 0.978 123 T CB 1.658 70.603 68.868 0.128 0.000 0.997 123 T HN 0.647 nan 8.240 nan 0.000 0.443 124 T N 0.633 115.198 114.554 0.018 0.000 2.932 124 T HA 0.709 5.060 4.350 0.001 0.000 0.289 124 T C -3.030 171.615 174.700 -0.092 0.000 1.039 124 T CA -2.631 59.447 62.100 -0.037 0.000 1.024 124 T CB 1.090 69.861 68.868 -0.160 0.000 1.090 124 T HN 0.135 nan 8.240 nan 0.000 0.496 125 P HA 0.196 nan 4.420 nan 0.000 0.267 125 P C 0.911 178.035 177.300 -0.293 0.000 1.209 125 P CA -0.151 62.824 63.100 -0.208 0.000 0.763 125 P CB 0.506 31.987 31.700 -0.365 0.000 0.816 126 E N 3.016 123.153 120.200 -0.105 0.000 2.130 126 E HA -0.192 4.159 4.350 0.001 0.000 0.196 126 E C 1.770 178.336 176.600 -0.056 0.000 0.998 126 E CA 1.523 57.886 56.400 -0.062 0.000 0.806 126 E CB -0.374 29.340 29.700 0.023 0.000 0.738 126 E HN 0.723 nan 8.360 nan 0.000 0.459 127 W N 0.556 121.844 121.300 -0.020 0.000 2.425 127 W HA 0.124 4.785 4.660 0.001 0.000 0.277 127 W C 1.822 178.331 176.519 -0.017 0.000 1.231 127 W CA 0.821 58.148 57.345 -0.030 0.000 1.248 127 W CB -0.816 28.626 29.460 -0.029 0.000 1.117 127 W HN -0.031 nan 8.180 nan 0.000 0.568 128 A N 2.070 124.350 122.820 -0.901 0.000 2.024 128 A HA -0.215 4.106 4.320 0.001 0.000 0.220 128 A C 1.948 179.369 177.584 -0.272 0.000 1.164 128 A CA 2.225 53.773 52.037 -0.815 0.000 0.643 128 A CB -0.556 17.878 19.000 -0.943 0.000 0.806 128 A HN 0.197 nan 8.150 nan 0.000 0.451 129 K N 0.750 121.023 120.400 -0.211 0.000 2.097 129 K HA -0.122 4.199 4.320 0.001 0.000 0.206 129 K C 1.307 177.859 176.600 -0.079 0.000 1.049 129 K CA 1.591 57.798 56.287 -0.133 0.000 0.933 129 K CB -0.148 32.277 32.500 -0.124 0.000 0.717 129 K HN 0.841 nan 8.250 nan 0.000 0.442 130 E N -0.096 120.078 120.200 -0.044 0.000 2.437 130 E HA 0.356 4.707 4.350 0.001 0.000 0.195 130 E C -0.329 176.263 176.600 -0.013 0.000 1.029 130 E CA -0.359 56.020 56.400 -0.035 0.000 0.948 130 E CB 0.502 30.168 29.700 -0.056 0.000 1.082 130 E HN 0.099 nan 8.360 nan 0.000 0.456 131 A N 0.834 123.678 122.820 0.039 0.000 2.286 131 A HA 0.509 4.830 4.320 0.001 0.000 0.286 131 A C -0.208 177.392 177.584 0.026 0.000 1.097 131 A CA -0.530 51.562 52.037 0.092 0.000 0.821 131 A CB 1.240 20.389 19.000 0.249 0.000 1.076 131 A HN 0.138 nan 8.150 nan 0.000 0.490 132 V N 2.654 122.593 119.914 0.043 0.000 2.419 132 V HA 0.282 4.403 4.120 0.001 0.000 0.287 132 V C -0.955 175.108 176.094 -0.052 0.000 1.017 132 V CA -0.178 62.117 62.300 -0.008 0.000 0.844 132 V CB 0.869 32.736 31.823 0.074 0.000 1.011 132 V HN 0.686 nan 8.190 nan 0.000 0.429 133 I N 4.707 125.156 120.570 -0.202 0.000 2.499 133 I HA 0.406 4.577 4.170 0.001 0.000 0.296 133 I C -0.520 175.530 176.117 -0.111 0.000 0.992 133 I CA -0.500 60.656 61.300 -0.240 0.000 1.297 133 I CB 0.919 38.512 38.000 -0.678 0.000 1.410 133 I HN 0.569 nan 8.210 nan 0.000 0.507 134 Y N 4.757 124.947 120.300 -0.183 0.000 2.331 134 Y HA 0.405 4.956 4.550 0.001 0.000 0.334 134 Y C -0.177 175.621 175.900 -0.170 0.000 0.960 134 Y CA -0.625 57.391 58.100 -0.140 0.000 1.130 134 Y CB 1.213 39.591 38.460 -0.137 0.000 1.164 134 Y HN 0.595 nan 8.280 nan 0.000 0.458 135 Q N 6.513 126.121 119.800 -0.319 0.000 2.274 135 Q HA 0.413 4.754 4.340 0.001 0.000 0.256 135 Q C -1.434 174.358 176.000 -0.348 0.000 0.927 135 Q CA -0.566 55.106 55.803 -0.219 0.000 0.939 135 Q CB 0.694 29.497 28.738 0.108 0.000 1.201 135 Q HN 0.627 nan 8.270 nan 0.000 0.426 136 I N 5.055 125.338 120.570 -0.479 0.000 2.362 136 I HA 0.206 4.377 4.170 0.001 0.000 0.289 136 I C -0.752 175.177 176.117 -0.314 0.000 0.994 136 I CA -0.586 60.416 61.300 -0.497 0.000 1.158 136 I CB 0.856 38.426 38.000 -0.717 0.000 1.315 136 I HN 0.686 nan 8.210 nan 0.000 0.451 137 F N 10.233 129.930 119.950 -0.421 0.000 2.329 137 F HA 0.409 4.936 4.527 0.001 0.000 0.362 137 F C -1.257 174.400 175.800 -0.238 0.000 1.113 137 F CA -2.216 55.633 58.000 -0.251 0.000 1.212 137 F CB 0.665 39.621 39.000 -0.075 0.000 1.509 137 F HN 0.322 nan 8.300 nan 0.000 0.546 138 P HA -0.299 nan 4.420 nan 0.000 0.218 138 P C 1.293 178.484 177.300 -0.180 0.000 1.154 138 P CA 1.487 64.350 63.100 -0.395 0.000 0.872 138 P CB 0.287 31.417 31.700 -0.950 0.000 0.790 139 E N -0.590 119.592 120.200 -0.031 0.000 2.333 139 E HA -0.139 4.211 4.350 0.001 0.000 0.198 139 E C 1.394 178.236 176.600 0.403 0.000 1.007 139 E CA 0.744 57.386 56.400 0.403 0.000 0.845 139 E CB 0.071 30.048 29.700 0.462 0.000 0.766 139 E HN 0.202 nan 8.360 nan 0.000 0.507 140 R N -1.581 119.094 120.500 0.292 0.000 2.535 140 R HA 0.122 4.462 4.340 0.001 0.000 0.323 140 R C 1.485 177.879 176.300 0.156 0.000 0.979 140 R CA -0.240 55.932 56.100 0.121 0.000 1.120 140 R CB -0.514 29.858 30.300 0.121 0.000 1.306 140 R HN 0.142 nan 8.270 nan 0.000 0.540 141 F N 1.196 121.215 119.950 0.114 0.000 2.104 141 F HA 0.333 4.860 4.527 0.001 0.000 0.288 141 F C 0.278 176.486 175.800 0.680 0.000 1.107 141 F CA 0.592 58.710 58.000 0.196 0.000 1.208 141 F CB 0.465 39.493 39.000 0.047 0.000 1.033 141 F HN -0.061 nan 8.300 nan 0.000 0.478 142 A N 0.566 123.622 122.820 0.394 0.000 2.491 142 A HA 0.327 4.648 4.320 0.001 0.000 0.293 142 A C -1.610 175.910 177.584 -0.106 0.000 1.047 142 A CA -0.662 51.350 52.037 -0.042 0.000 0.735 142 A CB 0.427 19.238 19.000 -0.314 0.000 1.281 142 A HN 0.212 nan 8.150 nan 0.000 0.398 143 N N 2.090 120.521 118.700 -0.448 0.000 2.719 143 N HA 0.297 5.038 4.740 0.001 0.000 0.243 143 N C 1.084 176.464 175.510 -0.218 0.000 1.104 143 N CA 0.514 53.438 53.050 -0.211 0.000 0.981 143 N CB 0.975 39.330 38.487 -0.220 0.000 1.290 143 N HN 0.759 nan 8.380 nan 0.000 0.513 144 G N 1.114 109.839 108.800 -0.126 0.000 2.623 144 G HA2 -0.100 3.861 3.960 0.001 0.000 0.214 144 G HA3 -0.100 3.861 3.960 0.001 0.000 0.214 144 G C 0.122 174.978 174.900 -0.073 0.000 1.138 144 G CA 0.084 45.107 45.100 -0.129 0.000 0.794 144 G HN 0.531 nan 8.290 nan 0.000 0.535 145 D N -0.444 119.941 120.400 -0.024 0.000 2.389 145 D HA 0.270 4.911 4.640 0.001 0.000 0.256 145 D C -1.612 174.698 176.300 0.017 0.000 1.239 145 D CA -2.164 51.835 54.000 -0.001 0.000 0.925 145 D CB 2.124 42.939 40.800 0.026 0.000 1.145 145 D HN -0.016 nan 8.370 nan 0.000 0.542 146 P HA -0.111 nan 4.420 nan 0.000 0.226 146 P C 1.070 178.384 177.300 0.024 0.000 1.153 146 P CA 0.552 63.663 63.100 0.018 0.000 0.777 146 P CB 0.235 31.935 31.700 0.000 0.000 0.794 147 S N 0.783 116.493 115.700 0.016 0.000 2.481 147 S HA -0.092 4.378 4.470 0.001 0.000 0.231 147 S C 1.455 176.065 174.600 0.016 0.000 0.996 147 S CA 0.795 59.003 58.200 0.013 0.000 0.942 147 S CB -1.267 61.938 63.200 0.009 0.000 0.768 147 S HN 0.203 nan 8.310 nan 0.000 0.520 148 N N 0.774 119.492 118.700 0.030 0.000 2.235 148 N HA 0.150 4.891 4.740 0.001 0.000 0.209 148 N C -1.101 174.425 175.510 0.026 0.000 1.122 148 N CA -0.334 52.734 53.050 0.029 0.000 0.845 148 N CB -0.516 38.002 38.487 0.053 0.000 1.004 148 N HN 0.121 nan 8.380 nan 0.000 0.499 149 D N 2.021 122.442 120.400 0.035 0.000 2.443 149 D HA 0.161 4.802 4.640 0.001 0.000 0.239 149 D C -1.899 174.373 176.300 -0.048 0.000 1.136 149 D CA -0.758 53.265 54.000 0.039 0.000 0.879 149 D CB 0.473 41.313 40.800 0.066 0.000 1.195 149 D HN 0.208 nan 8.370 nan 0.000 0.443 150 P HA 0.192 nan 4.420 nan 0.000 0.272 150 P C -2.545 174.593 177.300 -0.270 0.000 1.254 150 P CA -0.901 61.987 63.100 -0.354 0.000 0.795 150 P CB -0.134 31.057 31.700 -0.847 0.000 1.022 151 P HA 0.178 nan 4.420 nan 0.000 0.275 151 P C 0.445 177.677 177.300 -0.112 0.000 1.228 151 P CA 0.510 63.512 63.100 -0.163 0.000 0.786 151 P CB 0.208 31.823 31.700 -0.141 0.000 0.927 152 G N 1.381 110.157 108.800 -0.039 0.000 2.249 152 G HA2 -0.238 3.723 3.960 0.001 0.000 0.273 152 G HA3 -0.238 3.723 3.960 0.001 0.000 0.273 152 G C 0.285 175.193 174.900 0.014 0.000 1.036 152 G CA 0.035 45.137 45.100 0.002 0.000 0.824 152 G HN 0.578 nan 8.290 nan 0.000 0.504 153 T N 0.859 115.417 114.554 0.007 0.000 2.902 153 T HA 0.347 4.698 4.350 0.001 0.000 0.301 153 T C 0.784 175.468 174.700 -0.026 0.000 1.012 153 T CA 0.564 62.679 62.100 0.024 0.000 1.151 153 T CB 0.885 69.799 68.868 0.077 0.000 0.946 153 T HN 0.529 nan 8.240 nan 0.000 0.542 154 E N 1.899 121.994 120.200 -0.176 0.000 2.280 154 E HA 0.196 4.547 4.350 0.001 0.000 0.261 154 E C 0.099 176.734 176.600 0.058 0.000 1.088 154 E CA -0.929 55.379 56.400 -0.153 0.000 0.915 154 E CB 0.661 30.142 29.700 -0.364 0.000 1.141 154 E HN 0.516 nan 8.360 nan 0.000 0.433 155 Q N 1.095 120.983 119.800 0.147 0.000 2.300 155 Q HA -0.069 4.272 4.340 0.001 0.000 0.280 155 Q C -0.622 175.620 176.000 0.403 0.000 1.033 155 Q CA 0.414 56.366 55.803 0.248 0.000 0.903 155 Q CB 0.553 29.393 28.738 0.171 0.000 1.195 155 Q HN 0.483 nan 8.270 nan 0.000 0.386 156 W N 3.277 124.717 121.300 0.234 0.000 2.290 156 W HA 0.387 5.047 4.660 0.001 0.000 0.408 156 W C -1.088 175.490 176.519 0.099 0.000 0.966 156 W CA -0.248 57.217 57.345 0.201 0.000 1.579 156 W CB -0.021 29.537 29.460 0.164 0.000 1.662 156 W HN 0.554 nan 8.180 nan 0.000 0.341 157 A N 4.591 127.488 122.820 0.127 0.000 2.515 157 A HA 0.320 4.641 4.320 0.001 0.000 0.296 157 A C 0.975 178.543 177.584 -0.027 0.000 1.094 157 A CA -0.623 51.471 52.037 0.094 0.000 0.718 157 A CB 1.837 20.896 19.000 0.098 0.000 1.307 157 A HN 0.350 nan 8.150 nan 0.000 0.408 158 K N 0.582 120.978 120.400 -0.007 0.000 2.209 158 K HA -0.148 4.172 4.320 0.001 0.000 0.204 158 K C 0.650 177.214 176.600 -0.061 0.000 1.048 158 K CA 2.003 58.259 56.287 -0.052 0.000 0.940 158 K CB 0.020 32.502 32.500 -0.030 0.000 0.729 158 K HN 0.862 nan 8.250 nan 0.000 0.451 159 D N -0.487 119.894 120.400 -0.031 0.000 2.325 159 D HA 0.020 4.661 4.640 0.001 0.000 0.225 159 D C -0.005 176.282 176.300 -0.023 0.000 1.096 159 D CA -0.178 53.806 54.000 -0.026 0.000 0.844 159 D CB -0.131 40.666 40.800 -0.005 0.000 0.925 159 D HN 0.020 nan 8.370 nan 0.000 0.513 160 A N 0.719 123.513 122.820 -0.044 0.000 2.477 160 A HA 0.404 4.724 4.320 0.001 0.000 0.246 160 A C 0.037 177.597 177.584 -0.041 0.000 1.078 160 A CA -0.245 51.781 52.037 -0.019 0.000 0.770 160 A CB 0.277 19.217 19.000 -0.101 0.000 1.011 160 A HN 0.061 nan 8.150 nan 0.000 0.494 161 R N 2.181 122.693 120.500 0.021 0.000 2.443 161 R HA 0.409 4.750 4.340 0.001 0.000 0.287 161 R C -2.877 173.442 176.300 0.032 0.000 1.425 161 R CA -2.006 54.092 56.100 -0.003 0.000 1.300 161 R CB 0.408 30.703 30.300 -0.010 0.000 1.129 161 R HN 0.491 nan 8.270 nan 0.000 0.577 162 P HA 0.070 nan 4.420 nan 0.000 0.266 162 P C -0.256 177.015 177.300 -0.048 0.000 1.193 162 P CA 0.038 63.181 63.100 0.072 0.000 0.770 162 P CB 0.771 32.498 31.700 0.046 0.000 0.836 163 R N 1.016 121.472 120.500 -0.074 0.000 2.856 163 R HA 0.293 4.634 4.340 0.001 0.000 0.258 163 R C 1.484 177.702 176.300 -0.137 0.000 1.066 163 R CA -0.814 55.219 56.100 -0.112 0.000 1.045 163 R CB 0.569 30.845 30.300 -0.040 0.000 1.178 163 R HN 0.584 nan 8.270 nan 0.000 0.499 164 H N 0.962 120.039 119.070 0.011 0.000 2.489 164 H HA -0.120 4.437 4.556 0.001 0.000 0.295 164 H C 0.440 175.804 175.328 0.060 0.000 1.082 164 H CA 1.537 57.635 56.048 0.083 0.000 1.295 164 H CB 0.234 30.066 29.762 0.117 0.000 1.380 164 H HN 0.554 nan 8.280 nan 0.000 0.548 165 D N -0.661 119.779 120.400 0.067 0.000 2.538 165 D HA 0.059 4.699 4.640 0.001 0.000 0.231 165 D C 0.101 176.276 176.300 -0.210 0.000 1.229 165 D CA -0.191 53.805 54.000 -0.007 0.000 0.828 165 D CB -0.017 40.846 40.800 0.105 0.000 1.035 165 D HN -0.132 nan 8.370 nan 0.000 0.495 166 S N -0.067 115.425 115.700 -0.346 0.000 2.603 166 S HA 0.546 5.017 4.470 0.001 0.000 0.268 166 S C -0.456 173.794 174.600 -0.584 0.000 1.317 166 S CA -0.181 57.812 58.200 -0.346 0.000 1.012 166 S CB 0.533 63.589 63.200 -0.240 0.000 0.926 166 S HN 0.178 nan 8.310 nan 0.000 0.539 167 F N -0.010 119.786 119.950 -0.255 0.000 2.578 167 F HA 0.424 4.952 4.527 0.001 0.000 0.311 167 F C -0.257 175.336 175.800 -0.346 0.000 1.094 167 F CA -0.620 57.316 58.000 -0.107 0.000 0.923 167 F CB 1.498 40.489 39.000 -0.015 0.000 1.230 167 F HN 0.572 nan 8.300 nan 0.000 0.450 168 Y N -0.038 120.447 120.300 0.309 0.000 2.499 168 Y HA 0.352 4.903 4.550 0.001 0.000 0.253 168 Y C 1.453 177.644 175.900 0.485 0.000 1.105 168 Y CA 0.140 58.405 58.100 0.275 0.000 1.240 168 Y CB 1.345 39.781 38.460 -0.039 0.000 1.289 168 Y HN 0.801 nan 8.280 nan 0.000 0.534 169 G N 0.386 109.523 108.800 0.562 0.000 2.157 169 G HA2 -0.216 3.745 3.960 0.001 0.000 0.239 169 G HA3 -0.216 3.745 3.960 0.001 0.000 0.239 169 G C 0.695 175.902 174.900 0.513 0.000 0.982 169 G CA -0.201 45.181 45.100 0.470 0.000 0.650 169 G HN 0.673 nan 8.290 nan 0.000 0.527 170 G N 0.341 109.545 108.800 0.673 0.000 2.414 170 G HA2 0.541 4.501 3.960 0.001 0.000 0.236 170 G HA3 0.541 4.501 3.960 0.001 0.000 0.236 170 G C 0.060 175.189 174.900 0.381 0.000 1.293 170 G CA 1.031 46.459 45.100 0.546 0.000 0.869 170 G HN 1.149 nan 8.290 nan 0.000 0.556 171 D N -0.150 120.380 120.400 0.216 0.000 2.677 171 D HA 0.198 4.839 4.640 0.001 0.000 0.298 171 D C 1.116 177.438 176.300 0.036 0.000 1.250 171 D CA -0.920 53.172 54.000 0.153 0.000 0.888 171 D CB 0.398 41.337 40.800 0.230 0.000 1.397 171 D HN 0.176 nan 8.370 nan 0.000 0.461 172 L N -0.950 120.288 121.223 0.025 0.000 2.141 172 L HA -0.033 4.308 4.340 0.001 0.000 0.209 172 L C 2.164 179.062 176.870 0.047 0.000 1.094 172 L CA 0.984 55.834 54.840 0.017 0.000 0.763 172 L CB -0.480 41.600 42.059 0.036 0.000 0.908 172 L HN 0.409 nan 8.230 nan 0.000 0.437 173 K N 1.076 121.504 120.400 0.048 0.000 2.057 173 K HA -0.101 4.220 4.320 0.001 0.000 0.207 173 K C 1.942 178.538 176.600 -0.007 0.000 1.049 173 K CA 1.599 57.896 56.287 0.017 0.000 0.931 173 K CB -0.799 31.707 32.500 0.011 0.000 0.714 173 K HN 0.182 nan 8.250 nan 0.000 0.440 174 G N 0.112 108.910 108.800 -0.003 0.000 2.446 174 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 174 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 174 G C 1.551 176.467 174.900 0.027 0.000 1.168 174 G CA 1.141 46.205 45.100 -0.059 0.000 0.771 174 G HN 0.197 nan 8.290 nan 0.000 0.551 175 V N 1.391 121.417 119.914 0.188 0.000 2.332 175 V HA -0.215 3.905 4.120 0.001 0.000 0.248 175 V C 2.802 178.994 176.094 0.164 0.000 1.055 175 V CA 1.726 64.217 62.300 0.320 0.000 1.038 175 V CB -0.463 31.543 31.823 0.306 0.000 0.651 175 V HN 0.419 nan 8.190 nan 0.000 0.450 176 I N 0.201 120.813 120.570 0.070 0.000 2.208 176 I HA -0.241 3.930 4.170 0.001 0.000 0.245 176 I C 2.239 178.347 176.117 -0.015 0.000 1.097 176 I CA 1.630 62.940 61.300 0.017 0.000 1.363 176 I CB -0.568 37.425 38.000 -0.011 0.000 1.051 176 I HN 0.328 nan 8.210 nan 0.000 0.413 177 D N 0.757 121.121 120.400 -0.060 0.000 2.219 177 D HA -0.108 4.532 4.640 0.001 0.000 0.205 177 D C 1.862 178.065 176.300 -0.160 0.000 0.970 177 D CA 0.900 54.821 54.000 -0.132 0.000 0.851 177 D CB -0.161 40.511 40.800 -0.214 0.000 0.943 177 D HN 0.246 nan 8.370 nan 0.000 0.488 178 R N 0.382 120.811 120.500 -0.118 0.000 2.334 178 R HA 0.216 4.557 4.340 0.001 0.000 0.220 178 R C 2.089 178.473 176.300 0.140 0.000 0.917 178 R CA -0.193 55.860 56.100 -0.078 0.000 1.073 178 R CB -0.621 29.617 30.300 -0.104 0.000 1.056 178 R HN 0.284 nan 8.270 nan 0.000 0.506 179 L N 0.997 122.271 121.223 0.085 0.000 2.079 179 L HA -0.115 4.225 4.340 0.001 0.000 0.210 179 L C -0.642 176.271 176.870 0.072 0.000 1.081 179 L CA 1.552 56.439 54.840 0.078 0.000 0.752 179 L CB -1.334 40.745 42.059 0.032 0.000 0.896 179 L HN 0.071 nan 8.230 nan 0.000 0.433 180 P HA -0.217 nan 4.420 nan 0.000 0.218 180 P C 1.297 178.671 177.300 0.123 0.000 1.149 180 P CA 1.245 64.382 63.100 0.063 0.000 0.817 180 P CB -0.033 31.690 31.700 0.038 0.000 0.785 181 Y N 0.049 120.376 120.300 0.045 0.000 2.163 181 Y HA -0.159 4.391 4.550 0.001 0.000 0.288 181 Y C 1.918 177.903 175.900 0.141 0.000 1.136 181 Y CA 1.331 59.508 58.100 0.128 0.000 1.147 181 Y CB -1.009 37.552 38.460 0.168 0.000 0.987 181 Y HN -0.247 nan 8.280 nan 0.000 0.509 182 L N 1.117 122.404 121.223 0.106 0.000 2.046 182 L HA -0.199 4.142 4.340 0.001 0.000 0.208 182 L C 2.499 179.287 176.870 -0.136 0.000 1.077 182 L CA 2.094 56.857 54.840 -0.129 0.000 0.747 182 L CB -1.457 40.548 42.059 -0.090 0.000 0.896 182 L HN 0.454 nan 8.230 nan 0.000 0.432 183 E N -0.525 119.646 120.200 -0.049 0.000 2.106 183 E HA -0.247 4.104 4.350 0.001 0.000 0.192 183 E C 2.079 178.647 176.600 -0.053 0.000 0.984 183 E CA 1.075 57.451 56.400 -0.040 0.000 0.806 183 E CB 0.069 29.764 29.700 -0.009 0.000 0.750 183 E HN 0.537 nan 8.360 nan 0.000 0.458 184 E N 0.213 120.389 120.200 -0.041 0.000 2.077 184 E HA -0.210 4.141 4.350 0.001 0.000 0.193 184 E C 2.218 178.734 176.600 -0.141 0.000 0.989 184 E CA 0.888 57.270 56.400 -0.031 0.000 0.800 184 E CB -0.071 29.677 29.700 0.080 0.000 0.746 184 E HN 0.246 nan 8.360 nan 0.000 0.452 185 L N -0.058 121.021 121.223 -0.240 0.000 2.127 185 L HA -0.060 4.281 4.340 0.001 0.000 0.211 185 L C 1.510 178.225 176.870 -0.259 0.000 1.089 185 L CA 2.366 56.971 54.840 -0.391 0.000 0.757 185 L CB -0.227 41.591 42.059 -0.401 0.000 0.899 185 L HN 0.384 nan 8.230 nan 0.000 0.434 186 G N -2.107 106.596 108.800 -0.161 0.000 2.148 186 G HA2 -0.193 3.768 3.960 0.001 0.000 0.203 186 G HA3 -0.193 3.768 3.960 0.001 0.000 0.203 186 G C 0.237 175.138 174.900 0.001 0.000 0.993 186 G CA 0.013 45.062 45.100 -0.085 0.000 0.661 186 G HN 0.284 nan 8.290 nan 0.000 0.518 187 V N 1.287 121.173 119.914 -0.047 0.000 2.872 187 V HA 0.415 4.536 4.120 0.001 0.000 0.307 187 V C 1.826 177.931 176.094 0.018 0.000 1.072 187 V CA 1.566 63.860 62.300 -0.009 0.000 1.148 187 V CB 1.391 33.170 31.823 -0.073 0.000 0.954 187 V HN 0.862 nan 8.190 nan 0.000 0.490 188 T N -0.250 114.325 114.554 0.036 0.000 3.003 188 T HA 0.633 4.984 4.350 0.001 0.000 0.261 188 T C 0.128 174.830 174.700 0.003 0.000 1.003 188 T CA 0.435 62.544 62.100 0.014 0.000 0.917 188 T CB 0.457 69.336 68.868 0.019 0.000 1.084 188 T HN 1.166 nan 8.240 nan 0.000 0.522 189 A N 0.878 123.709 122.820 0.019 0.000 2.589 189 A HA 0.716 5.037 4.320 0.001 0.000 0.296 189 A C -1.798 175.787 177.584 0.001 0.000 1.062 189 A CA -0.925 51.132 52.037 0.032 0.000 0.686 189 A CB 1.068 20.155 19.000 0.145 0.000 1.282 189 A HN 0.353 nan 8.150 nan 0.000 0.404 190 L N 1.947 123.158 121.223 -0.021 0.000 2.341 190 L HA 0.494 4.834 4.340 0.001 0.000 0.278 190 L C -1.076 175.707 176.870 -0.145 0.000 1.005 190 L CA -0.800 53.924 54.840 -0.193 0.000 0.818 190 L CB 1.797 43.583 42.059 -0.454 0.000 1.259 190 L HN 0.792 nan 8.230 nan 0.000 0.418 191 Y N 3.991 124.134 120.300 -0.263 0.000 2.353 191 Y HA 0.536 5.087 4.550 0.001 0.000 0.340 191 Y C -1.341 174.426 175.900 -0.222 0.000 0.972 191 Y CA -1.509 56.556 58.100 -0.059 0.000 1.157 191 Y CB 0.652 39.184 38.460 0.120 0.000 1.157 191 Y HN 0.259 nan 8.280 nan 0.000 0.495 192 F N 4.230 124.052 119.950 -0.213 0.000 2.420 192 F HA 0.416 4.944 4.527 0.001 0.000 0.342 192 F C 0.999 176.474 175.800 -0.542 0.000 1.113 192 F CA -0.570 57.178 58.000 -0.420 0.000 1.059 192 F CB 1.434 40.288 39.000 -0.242 0.000 1.128 192 F HN 0.578 nan 8.300 nan 0.000 0.475 193 T N 0.593 114.890 114.554 -0.427 0.000 2.698 193 T HA 0.280 4.631 4.350 0.001 0.000 0.295 193 T C -2.619 171.879 174.700 -0.336 0.000 1.007 193 T CA -1.866 60.038 62.100 -0.327 0.000 0.980 193 T CB 0.080 68.753 68.868 -0.326 0.000 1.036 193 T HN 0.196 nan 8.240 nan 0.000 0.526 194 P HA 0.095 nan 4.420 nan 0.000 0.261 194 P C 0.345 177.412 177.300 -0.388 0.000 1.173 194 P CA 0.282 63.051 63.100 -0.551 0.000 0.760 194 P CB -0.066 31.236 31.700 -0.663 0.000 0.783 195 I N -1.116 119.125 120.570 -0.549 0.000 4.050 195 I HA 0.329 4.499 4.170 0.001 0.000 0.327 195 I C -0.163 175.920 176.117 -0.056 0.000 1.473 195 I CA -0.315 60.879 61.300 -0.178 0.000 1.124 195 I CB -0.084 37.713 38.000 -0.338 0.000 1.129 195 I HN 0.029 nan 8.210 nan 0.000 0.428 196 F N 2.292 122.152 119.950 -0.149 0.000 2.380 196 F HA 0.692 5.219 4.527 0.001 0.000 0.321 196 F C 1.368 177.107 175.800 -0.101 0.000 1.103 196 F CA -1.354 56.577 58.000 -0.116 0.000 1.067 196 F CB 0.938 39.876 39.000 -0.103 0.000 1.265 196 F HN -0.018 nan 8.300 nan 0.000 0.517 197 A N 2.057 124.975 122.820 0.163 0.000 2.573 197 A HA 0.302 4.623 4.320 0.001 0.000 0.250 197 A C 0.123 177.711 177.584 0.006 0.000 1.049 197 A CA 0.594 52.660 52.037 0.048 0.000 0.767 197 A CB -0.310 18.736 19.000 0.076 0.000 0.965 197 A HN 0.633 nan 8.150 nan 0.000 0.514 198 S N 3.230 118.897 115.700 -0.055 0.000 2.556 198 S HA 0.622 5.093 4.470 0.001 0.000 0.280 198 S C -2.451 172.109 174.600 -0.066 0.000 1.141 198 S CA -0.394 57.772 58.200 -0.056 0.000 0.883 198 S CB 1.733 64.874 63.200 -0.100 0.000 1.103 198 S HN 0.422 nan 8.310 nan 0.000 0.453 199 P HA 0.072 nan 4.420 nan 0.000 0.236 199 P C 0.637 177.997 177.300 0.101 0.000 1.177 199 P CA 0.342 63.457 63.100 0.025 0.000 0.773 199 P CB -0.104 31.626 31.700 0.049 0.000 0.878 200 S N 0.225 115.910 115.700 -0.025 0.000 2.681 200 S HA 0.114 4.585 4.470 0.001 0.000 0.270 200 S C 1.538 176.085 174.600 -0.089 0.000 1.209 200 S CA -0.466 57.670 58.200 -0.106 0.000 0.988 200 S CB -0.127 62.710 63.200 -0.606 0.000 1.006 200 S HN 0.276 nan 8.310 nan 0.000 0.558 201 H N 0.238 119.159 119.070 -0.248 0.000 2.535 201 H HA 0.024 4.580 4.556 0.001 0.000 0.273 201 H C 1.428 176.757 175.328 0.001 0.000 0.983 201 H CA 1.631 57.589 56.048 -0.151 0.000 1.238 201 H CB -0.606 28.921 29.762 -0.390 0.000 1.412 201 H HN 1.000 nan 8.280 nan 0.000 0.562 202 H N 0.374 119.163 119.070 -0.468 0.000 2.516 202 H HA 0.271 4.828 4.556 0.001 0.000 0.284 202 H C 0.596 175.797 175.328 -0.212 0.000 0.999 202 H CA 0.024 55.947 56.048 -0.208 0.000 1.303 202 H CB 0.219 30.022 29.762 0.068 0.000 1.452 202 H HN 0.080 nan 8.280 nan 0.000 0.530 203 K N -0.463 119.677 120.400 -0.435 0.000 3.192 203 K HA -0.249 4.072 4.320 0.001 0.000 0.278 203 K C -0.682 175.849 176.600 -0.115 0.000 1.164 203 K CA 0.739 56.873 56.287 -0.256 0.000 0.816 203 K CB -2.208 30.149 32.500 -0.239 0.000 1.256 203 K HN 0.414 nan 8.250 nan 0.000 0.497 204 Y N 1.180 121.680 120.300 0.332 0.000 2.490 204 Y HA -0.021 4.530 4.550 0.001 0.000 0.281 204 Y C 0.941 176.970 175.900 0.215 0.000 1.174 204 Y CA 0.447 58.696 58.100 0.248 0.000 1.295 204 Y CB 0.381 38.961 38.460 0.199 0.000 1.062 204 Y HN 0.196 nan 8.280 nan 0.000 0.522 205 D N -0.314 120.248 120.400 0.271 0.000 2.493 205 D HA 0.090 4.730 4.640 0.001 0.000 0.235 205 D C -0.437 175.903 176.300 0.067 0.000 1.117 205 D CA -0.348 53.763 54.000 0.185 0.000 0.930 205 D CB 0.271 41.174 40.800 0.170 0.000 1.010 205 D HN -0.113 nan 8.370 nan 0.000 0.514 206 T N 1.094 115.649 114.554 0.001 0.000 2.817 206 T HA 0.346 4.697 4.350 0.001 0.000 0.295 206 T C 1.335 176.019 174.700 -0.026 0.000 0.958 206 T CA -0.178 61.827 62.100 -0.159 0.000 1.157 206 T CB 1.480 69.950 68.868 -0.664 0.000 0.898 206 T HN 0.508 nan 8.240 nan 0.000 0.536 207 A N 2.900 125.748 122.820 0.047 0.000 1.956 207 A HA 0.197 4.518 4.320 0.001 0.000 0.212 207 A C 0.924 178.675 177.584 0.279 0.000 1.188 207 A CA 0.337 52.478 52.037 0.174 0.000 0.675 207 A CB 0.309 19.379 19.000 0.116 0.000 0.845 207 A HN 0.692 nan 8.150 nan 0.000 0.455 208 D N -2.183 118.333 120.400 0.194 0.000 2.616 208 D HA 0.339 4.980 4.640 0.001 0.000 0.238 208 D C -0.580 175.853 176.300 0.221 0.000 1.354 208 D CA -0.521 53.651 54.000 0.286 0.000 0.970 208 D CB 0.535 41.455 40.800 0.199 0.000 1.369 208 D HN 0.149 nan 8.370 nan 0.000 0.585 209 Y N 1.928 122.457 120.300 0.382 0.000 2.509 209 Y HA 0.078 4.629 4.550 0.001 0.000 0.293 209 Y C 1.880 177.766 175.900 -0.023 0.000 1.133 209 Y CA 0.770 59.021 58.100 0.250 0.000 1.283 209 Y CB 0.282 39.009 38.460 0.445 0.000 1.001 209 Y HN 0.394 nan 8.280 nan 0.000 0.555 210 L N -0.537 120.758 121.223 0.121 0.000 2.685 210 L HA 0.412 4.753 4.340 0.001 0.000 0.233 210 L C 0.321 177.120 176.870 -0.117 0.000 1.173 210 L CA -0.310 54.385 54.840 -0.242 0.000 0.961 210 L CB -0.124 41.647 42.059 -0.481 0.000 1.217 210 L HN 0.022 nan 8.230 nan 0.000 0.478 211 A N 0.213 123.121 122.820 0.147 0.000 2.455 211 A HA 0.591 4.912 4.320 0.001 0.000 0.300 211 A C -0.472 177.300 177.584 0.314 0.000 1.040 211 A CA -0.553 51.621 52.037 0.229 0.000 0.697 211 A CB 1.546 20.619 19.000 0.122 0.000 1.265 211 A HN -0.076 nan 8.150 nan 0.000 0.407 212 I N 2.131 122.915 120.570 0.357 0.000 2.692 212 I HA 0.024 4.194 4.170 0.001 0.000 0.284 212 I C 0.725 176.954 176.117 0.186 0.000 1.159 212 I CA 0.249 61.714 61.300 0.276 0.000 1.423 212 I CB 0.466 38.617 38.000 0.252 0.000 1.380 212 I HN 0.722 nan 8.210 nan 0.000 0.580 213 D N 8.025 128.504 120.400 0.132 0.000 2.425 213 D HA 0.038 4.679 4.640 0.001 0.000 0.247 213 D C -1.707 174.588 176.300 -0.008 0.000 1.147 213 D CA -1.263 52.725 54.000 -0.020 0.000 0.879 213 D CB 1.831 42.468 40.800 -0.273 0.000 1.179 213 D HN 0.215 nan 8.370 nan 0.000 0.456 214 P HA -0.162 nan 4.420 nan 0.000 0.217 214 P C 0.994 178.292 177.300 -0.002 0.000 1.148 214 P CA 1.428 64.532 63.100 0.006 0.000 0.828 214 P CB 0.211 31.904 31.700 -0.011 0.000 0.783 215 Q N -2.435 117.306 119.800 -0.097 0.000 2.224 215 Q HA -0.095 4.246 4.340 0.001 0.000 0.203 215 Q C 1.308 177.395 176.000 0.145 0.000 0.970 215 Q CA 1.008 56.771 55.803 -0.067 0.000 0.865 215 Q CB -0.324 28.279 28.738 -0.224 0.000 0.922 215 Q HN 0.295 nan 8.270 nan 0.000 0.445 216 F N -0.984 118.992 119.950 0.044 0.000 2.656 216 F HA 0.323 4.851 4.527 0.001 0.000 0.291 216 F C 1.351 177.183 175.800 0.053 0.000 1.122 216 F CA 0.707 58.733 58.000 0.044 0.000 1.427 216 F CB 0.338 39.342 39.000 0.006 0.000 1.125 216 F HN 0.086 nan 8.300 nan 0.000 0.583 217 G N -0.153 108.790 108.800 0.238 0.000 2.288 217 G HA2 0.256 4.217 3.960 0.001 0.000 0.227 217 G HA3 0.256 4.217 3.960 0.001 0.000 0.227 217 G C -1.969 173.028 174.900 0.161 0.000 1.339 217 G CA -0.273 44.931 45.100 0.173 0.000 1.057 217 G HN 0.189 nan 8.290 nan 0.000 0.470 218 D N -1.475 119.027 120.400 0.169 0.000 2.652 218 D HA 0.633 5.274 4.640 0.001 0.000 0.285 218 D C 1.119 177.560 176.300 0.236 0.000 1.173 218 D CA -0.489 53.617 54.000 0.176 0.000 0.981 218 D CB 0.870 41.747 40.800 0.128 0.000 1.440 218 D HN 0.780 nan 8.370 nan 0.000 0.485 219 L N 0.099 121.470 121.223 0.246 0.000 1.989 219 L HA 0.052 4.392 4.340 0.001 0.000 0.211 219 L C -1.067 175.959 176.870 0.260 0.000 1.071 219 L CA 2.119 57.143 54.840 0.308 0.000 0.749 219 L CB -1.594 40.613 42.059 0.248 0.000 0.890 219 L HN 0.406 nan 8.230 nan 0.000 0.431 220 P HA -0.137 nan 4.420 nan 0.000 0.216 220 P C 1.609 178.969 177.300 0.099 0.000 1.153 220 P CA 2.001 65.166 63.100 0.108 0.000 0.858 220 P CB -0.156 31.589 31.700 0.076 0.000 0.789 221 T N -1.160 113.467 114.554 0.123 0.000 2.777 221 T HA -0.150 4.201 4.350 0.001 0.000 0.266 221 T C 1.431 176.195 174.700 0.107 0.000 1.040 221 T CA 0.962 63.120 62.100 0.097 0.000 1.141 221 T CB -0.952 67.981 68.868 0.108 0.000 0.868 221 T HN 0.020 nan 8.240 nan 0.000 0.444 222 F N 2.661 122.639 119.950 0.045 0.000 2.102 222 F HA -0.091 4.437 4.527 0.001 0.000 0.298 222 F C 2.367 178.166 175.800 -0.002 0.000 1.105 222 F CA 1.193 59.205 58.000 0.020 0.000 1.239 222 F CB -0.171 38.902 39.000 0.123 0.000 0.991 222 F HN -0.136 nan 8.300 nan 0.000 0.474 223 R N 0.416 120.897 120.500 -0.031 0.000 2.091 223 R HA -0.189 4.152 4.340 0.001 0.000 0.238 223 R C 2.428 178.609 176.300 -0.198 0.000 1.136 223 R CA 1.637 57.648 56.100 -0.149 0.000 0.959 223 R CB -1.013 29.284 30.300 -0.004 0.000 0.856 223 R HN 0.369 nan 8.270 nan 0.000 0.437 224 R N 0.763 121.192 120.500 -0.119 0.000 2.081 224 R HA -0.127 4.214 4.340 0.001 0.000 0.235 224 R C 2.285 178.487 176.300 -0.162 0.000 1.131 224 R CA 1.177 57.213 56.100 -0.106 0.000 0.960 224 R CB -0.356 29.914 30.300 -0.051 0.000 0.856 224 R HN 0.104 nan 8.270 nan 0.000 0.436 225 L N 0.697 121.795 121.223 -0.209 0.000 1.989 225 L HA -0.147 4.194 4.340 0.001 0.000 0.211 225 L C 2.080 178.749 176.870 -0.335 0.000 1.071 225 L CA 1.675 56.377 54.840 -0.230 0.000 0.749 225 L CB -0.682 41.226 42.059 -0.252 0.000 0.890 225 L HN 0.030 nan 8.230 nan 0.000 0.431 226 V N 0.340 119.923 119.914 -0.552 0.000 2.282 226 V HA -0.336 3.785 4.120 0.001 0.000 0.249 226 V C 2.379 178.123 176.094 -0.584 0.000 1.057 226 V CA 2.164 64.062 62.300 -0.669 0.000 1.032 226 V CB -0.889 30.500 31.823 -0.724 0.000 0.645 226 V HN 0.501 nan 8.190 nan 0.000 0.447 227 D N -0.561 119.639 120.400 -0.334 0.000 2.117 227 D HA -0.130 4.511 4.640 0.001 0.000 0.197 227 D C 2.275 178.512 176.300 -0.105 0.000 0.987 227 D CA 1.002 54.903 54.000 -0.165 0.000 0.829 227 D CB -0.209 40.532 40.800 -0.098 0.000 0.961 227 D HN 0.420 nan 8.370 nan 0.000 0.460 228 E N 0.707 120.838 120.200 -0.115 0.000 2.106 228 E HA -0.061 4.290 4.350 0.001 0.000 0.192 228 E C 2.049 178.617 176.600 -0.052 0.000 0.984 228 E CA 0.617 56.976 56.400 -0.067 0.000 0.806 228 E CB -0.177 29.487 29.700 -0.060 0.000 0.750 228 E HN 0.210 nan 8.360 nan 0.000 0.458 229 A N 0.707 123.474 122.820 -0.088 0.000 1.872 229 A HA -0.167 4.153 4.320 0.001 0.000 0.214 229 A C 1.927 179.522 177.584 0.018 0.000 1.187 229 A CA 1.415 53.423 52.037 -0.048 0.000 0.614 229 A CB -0.910 18.046 19.000 -0.073 0.000 0.826 229 A HN 0.329 nan 8.150 nan 0.000 0.442 230 H N -0.036 118.982 119.070 -0.087 0.000 2.319 230 H HA -0.162 4.395 4.556 0.001 0.000 0.299 230 H C 2.304 177.581 175.328 -0.084 0.000 1.092 230 H CA 1.414 57.402 56.048 -0.100 0.000 1.302 230 H CB -0.016 29.683 29.762 -0.106 0.000 1.373 230 H HN 0.604 nan 8.280 nan 0.000 0.497 231 R N 1.066 121.605 120.500 0.064 0.000 2.285 231 R HA -0.020 4.321 4.340 0.001 0.000 0.213 231 R C 1.251 177.549 176.300 -0.004 0.000 1.068 231 R CA 0.901 57.008 56.100 0.012 0.000 1.004 231 R CB -0.045 30.255 30.300 0.000 0.000 0.873 231 R HN 0.240 nan 8.270 nan 0.000 0.467 232 R N 0.556 121.056 120.500 -0.001 0.000 2.466 232 R HA 0.150 4.491 4.340 0.001 0.000 0.279 232 R C 0.213 176.503 176.300 -0.017 0.000 0.976 232 R CA 0.365 56.460 56.100 -0.010 0.000 1.081 232 R CB 1.010 31.306 30.300 -0.008 0.000 1.215 232 R HN 0.484 nan 8.270 nan 0.000 0.546 233 G N 1.773 110.558 108.800 -0.025 0.000 2.221 233 G HA2 -0.268 3.693 3.960 0.001 0.000 0.265 233 G HA3 -0.268 3.693 3.960 0.001 0.000 0.265 233 G C -0.003 174.865 174.900 -0.053 0.000 1.041 233 G CA 0.015 45.083 45.100 -0.053 0.000 0.807 233 G HN 0.291 nan 8.290 nan 0.000 0.502 234 I N -0.016 120.543 120.570 -0.018 0.000 2.418 234 I HA 0.360 4.531 4.170 0.001 0.000 0.287 234 I C 0.530 176.671 176.117 0.039 0.000 1.008 234 I CA -0.854 60.438 61.300 -0.012 0.000 1.104 234 I CB 1.615 39.611 38.000 -0.008 0.000 1.264 234 I HN -0.041 nan 8.210 nan 0.000 0.438 235 K N 5.492 125.867 120.400 -0.042 0.000 2.098 235 K HA 0.604 4.925 4.320 0.001 0.000 0.244 235 K C -0.727 175.913 176.600 0.067 0.000 1.014 235 K CA -0.740 55.528 56.287 -0.031 0.000 0.917 235 K CB 1.399 33.660 32.500 -0.398 0.000 1.072 235 K HN 0.356 nan 8.250 nan 0.000 0.477 236 I N 2.643 123.286 120.570 0.122 0.000 2.436 236 I HA 0.318 4.489 4.170 0.001 0.000 0.289 236 I C -0.642 175.606 176.117 0.219 0.000 1.010 236 I CA -0.623 60.797 61.300 0.200 0.000 1.098 236 I CB 1.357 39.432 38.000 0.125 0.000 1.266 236 I HN 0.410 nan 8.210 nan 0.000 0.434 237 I N 6.791 127.551 120.570 0.316 0.000 2.436 237 I HA 0.458 4.629 4.170 0.001 0.000 0.289 237 I C -0.021 176.300 176.117 0.340 0.000 1.010 237 I CA -0.517 60.962 61.300 0.297 0.000 1.098 237 I CB 1.992 40.265 38.000 0.454 0.000 1.266 237 I HN 0.303 nan 8.210 nan 0.000 0.434 238 L N 4.227 125.512 121.223 0.103 0.000 2.352 238 L HA 0.464 4.805 4.340 0.001 0.000 0.269 238 L C 0.105 177.119 176.870 0.239 0.000 1.034 238 L CA -0.786 54.104 54.840 0.084 0.000 0.806 238 L CB 1.655 43.599 42.059 -0.192 0.000 1.244 238 L HN 0.451 nan 8.230 nan 0.000 0.447 239 D N 1.563 122.061 120.400 0.162 0.000 2.313 239 D HA 0.378 5.019 4.640 0.001 0.000 0.239 239 D C -0.589 175.769 176.300 0.097 0.000 1.142 239 D CA -0.100 54.015 54.000 0.191 0.000 0.847 239 D CB 1.760 42.636 40.800 0.127 0.000 1.082 239 D HN 0.542 nan 8.370 nan 0.000 0.480 240 A N 3.910 126.779 122.820 0.083 0.000 2.260 240 A HA 0.394 4.714 4.320 0.001 0.000 0.312 240 A C -0.104 177.272 177.584 -0.347 0.000 1.321 240 A CA -0.641 51.218 52.037 -0.296 0.000 0.928 240 A CB 0.623 19.076 19.000 -0.911 0.000 1.158 240 A HN 0.378 nan 8.150 nan 0.000 0.542 241 V N 4.441 124.314 119.914 -0.069 0.000 2.184 241 V HA 0.141 4.262 4.120 0.001 0.000 0.262 241 V C -0.018 176.215 176.094 0.232 0.000 1.209 241 V CA 0.037 62.371 62.300 0.056 0.000 1.070 241 V CB -1.037 30.867 31.823 0.135 0.000 1.244 241 V HN 0.831 nan 8.190 nan 0.000 0.477 242 F N 1.390 121.334 119.950 -0.010 0.000 2.754 242 F HA 0.146 4.674 4.527 0.001 0.000 0.297 242 F C 1.978 177.632 175.800 -0.243 0.000 1.122 242 F CA -0.126 57.787 58.000 -0.146 0.000 1.400 242 F CB -0.760 38.105 39.000 -0.226 0.000 1.117 242 F HN 0.453 nan 8.300 nan 0.000 0.587 243 N N 0.124 118.801 118.700 -0.038 0.000 2.270 243 N HA -0.112 4.629 4.740 0.001 0.000 0.181 243 N C -0.121 175.438 175.510 0.082 0.000 1.016 243 N CA 0.884 53.924 53.050 -0.016 0.000 0.870 243 N CB -0.027 38.515 38.487 0.090 0.000 0.979 243 N HN 0.415 nan 8.380 nan 0.000 0.431 244 H N -3.242 115.928 119.070 0.167 0.000 3.046 244 H HA 0.771 5.328 4.556 0.001 0.000 0.361 244 H C -1.239 174.200 175.328 0.184 0.000 1.235 244 H CA -0.926 55.229 56.048 0.178 0.000 1.146 244 H CB 1.034 30.908 29.762 0.187 0.000 1.859 244 H HN 0.023 nan 8.280 nan 0.000 0.548 245 A N 1.099 124.087 122.820 0.280 0.000 2.284 245 A HA 0.818 5.139 4.320 0.001 0.000 0.317 245 A C 0.514 178.186 177.584 0.147 0.000 1.120 245 A CA -0.503 51.624 52.037 0.151 0.000 0.900 245 A CB 0.539 19.503 19.000 -0.060 0.000 1.319 245 A HN 1.076 nan 8.150 nan 0.000 0.494 246 G N -0.725 108.136 108.800 0.103 0.000 2.451 246 G HA2 0.415 4.375 3.960 0.001 0.000 0.303 246 G HA3 0.415 4.375 3.960 0.001 0.000 0.303 246 G C 0.132 175.069 174.900 0.062 0.000 1.166 246 G CA 0.330 45.489 45.100 0.097 0.000 0.884 246 G HN 0.745 nan 8.290 nan 0.000 0.514 247 D N -0.579 119.833 120.400 0.021 0.000 2.378 247 D HA -0.108 4.533 4.640 0.001 0.000 0.227 247 D C 1.271 177.740 176.300 0.282 0.000 1.012 247 D CA 0.640 54.686 54.000 0.077 0.000 0.905 247 D CB 0.201 41.087 40.800 0.144 0.000 0.895 247 D HN 0.550 nan 8.370 nan 0.000 0.532 248 Q N -0.827 119.105 119.800 0.221 0.000 2.247 248 Q HA 0.112 4.453 4.340 0.001 0.000 0.211 248 Q C -0.145 176.012 176.000 0.261 0.000 0.861 248 Q CA -0.669 55.255 55.803 0.201 0.000 0.949 248 Q CB 0.363 29.188 28.738 0.144 0.000 1.115 248 Q HN 0.195 nan 8.270 nan 0.000 0.507 249 F N 1.942 121.974 119.950 0.137 0.000 2.608 249 F HA -0.098 4.430 4.527 0.001 0.000 0.380 249 F C 1.064 176.905 175.800 0.067 0.000 1.083 249 F CA -1.031 57.064 58.000 0.159 0.000 1.266 249 F CB 0.350 39.473 39.000 0.204 0.000 1.076 249 F HN 0.110 nan 8.300 nan 0.000 0.574 250 F N 4.689 124.417 119.950 -0.371 0.000 2.087 250 F HA -0.186 4.342 4.527 0.001 0.000 0.299 250 F C 1.825 177.235 175.800 -0.651 0.000 1.100 250 F CA 1.718 59.440 58.000 -0.464 0.000 1.226 250 F CB -1.439 37.292 39.000 -0.448 0.000 0.983 250 F HN 0.422 nan 8.300 nan 0.000 0.479 251 A N 0.218 121.524 122.820 -2.523 0.000 1.902 251 A HA -0.150 4.171 4.320 0.001 0.000 0.217 251 A C 2.183 179.470 177.584 -0.495 0.000 1.181 251 A CA 1.639 52.577 52.037 -1.832 0.000 0.623 251 A CB -1.605 16.296 19.000 -1.832 0.000 0.818 251 A HN 0.547 nan 8.150 nan 0.000 0.443 252 F N 0.508 120.251 119.950 -0.346 0.000 2.186 252 F HA -0.067 4.461 4.527 0.001 0.000 0.299 252 F C 2.379 177.995 175.800 -0.308 0.000 1.090 252 F CA 1.410 59.140 58.000 -0.450 0.000 1.307 252 F CB -0.241 38.482 39.000 -0.462 0.000 1.019 252 F HN 0.119 nan 8.300 nan 0.000 0.489 253 R N -0.075 120.313 120.500 -0.186 0.000 2.091 253 R HA -0.213 4.127 4.340 0.001 0.000 0.238 253 R C 1.932 178.098 176.300 -0.224 0.000 1.136 253 R CA 1.864 57.857 56.100 -0.179 0.000 0.959 253 R CB -0.785 29.474 30.300 -0.069 0.000 0.856 253 R HN 0.305 nan 8.270 nan 0.000 0.437 254 D N -0.085 120.180 120.400 -0.226 0.000 2.104 254 D HA -0.137 4.504 4.640 0.001 0.000 0.194 254 D C 1.732 177.938 176.300 -0.157 0.000 0.994 254 D CA 1.164 55.076 54.000 -0.147 0.000 0.830 254 D CB 0.185 40.928 40.800 -0.095 0.000 0.959 254 D HN -0.051 nan 8.370 nan 0.000 0.452 255 V N 0.490 120.271 119.914 -0.221 0.000 2.407 255 V HA -0.213 3.908 4.120 0.001 0.000 0.248 255 V C 2.540 178.464 176.094 -0.284 0.000 1.055 255 V CA 1.177 63.352 62.300 -0.209 0.000 1.049 255 V CB -0.519 31.160 31.823 -0.240 0.000 0.662 255 V HN 0.338 nan 8.190 nan 0.000 0.455 256 L N -0.405 120.545 121.223 -0.454 0.000 2.131 256 L HA -0.208 4.133 4.340 0.001 0.000 0.210 256 L C 2.577 179.342 176.870 -0.176 0.000 1.092 256 L CA 1.603 56.232 54.840 -0.352 0.000 0.759 256 L CB -0.398 41.431 42.059 -0.384 0.000 0.903 256 L HN 0.372 nan 8.230 nan 0.000 0.435 257 Q N 0.373 120.080 119.800 -0.154 0.000 2.165 257 Q HA -0.086 4.255 4.340 0.001 0.000 0.197 257 Q C 1.856 177.798 176.000 -0.097 0.000 0.952 257 Q CA 1.453 57.196 55.803 -0.101 0.000 0.848 257 Q CB 0.252 28.941 28.738 -0.082 0.000 0.931 257 Q HN 0.276 nan 8.270 nan 0.000 0.470 258 K N -0.747 119.584 120.400 -0.114 0.000 2.361 258 K HA 0.292 4.613 4.320 0.001 0.000 0.194 258 K C 0.946 177.425 176.600 -0.202 0.000 1.032 258 K CA 0.338 56.548 56.287 -0.129 0.000 1.048 258 K CB 0.494 32.928 32.500 -0.109 0.000 0.842 258 K HN 0.327 nan 8.250 nan 0.000 0.526 259 G N 2.443 111.114 108.800 -0.215 0.000 2.611 259 G HA2 -0.432 3.529 3.960 0.001 0.000 0.301 259 G HA3 -0.432 3.529 3.960 0.001 0.000 0.301 259 G C 0.724 175.108 174.900 -0.860 0.000 1.233 259 G CA 0.655 45.495 45.100 -0.434 0.000 0.993 259 G HN 0.382 nan 8.290 nan 0.000 0.553 260 E N -0.186 119.171 120.200 -1.406 0.000 2.331 260 E HA -0.145 4.206 4.350 0.001 0.000 0.199 260 E C 2.544 178.886 176.600 -0.430 0.000 1.008 260 E CA 1.252 57.035 56.400 -1.027 0.000 0.843 260 E CB -0.048 29.227 29.700 -0.709 0.000 0.761 260 E HN 0.430 nan 8.360 nan 0.000 0.507 261 Q N -0.086 119.510 119.800 -0.340 0.000 2.389 261 Q HA 0.024 4.365 4.340 0.001 0.000 0.204 261 Q C 0.846 176.745 176.000 -0.168 0.000 0.944 261 Q CA 0.150 55.832 55.803 -0.202 0.000 0.908 261 Q CB 0.256 28.898 28.738 -0.161 0.000 1.002 261 Q HN 0.012 nan 8.270 nan 0.000 0.493 262 S N 1.115 116.710 115.700 -0.176 0.000 2.537 262 S HA -0.007 4.464 4.470 0.001 0.000 0.286 262 S C 1.050 175.565 174.600 -0.141 0.000 1.299 262 S CA -0.189 57.944 58.200 -0.110 0.000 1.067 262 S CB 0.613 63.781 63.200 -0.053 0.000 0.864 262 S HN 0.185 nan 8.310 nan 0.000 0.494 263 R N 3.337 123.689 120.500 -0.246 0.000 2.323 263 R HA 0.012 4.353 4.340 0.001 0.000 0.198 263 R C -0.272 175.625 176.300 -0.672 0.000 0.988 263 R CA 0.893 56.731 56.100 -0.437 0.000 1.041 263 R CB -0.164 29.803 30.300 -0.556 0.000 0.926 263 R HN 0.856 nan 8.270 nan 0.000 0.476 264 Y N -0.205 119.924 120.300 -0.285 0.000 2.612 264 Y HA 0.133 4.684 4.550 0.001 0.000 0.250 264 Y C 1.608 177.479 175.900 -0.048 0.000 1.175 264 Y CA -0.373 57.428 58.100 -0.498 0.000 1.205 264 Y CB 0.541 38.541 38.460 -0.767 0.000 1.201 264 Y HN 0.016 nan 8.280 nan 0.000 0.532 265 K N -0.491 120.004 120.400 0.159 0.000 2.209 265 K HA -0.148 4.173 4.320 0.001 0.000 0.204 265 K C 0.284 177.072 176.600 0.313 0.000 1.048 265 K CA 1.949 58.425 56.287 0.314 0.000 0.940 265 K CB -0.055 32.615 32.500 0.283 0.000 0.729 265 K HN 0.123 nan 8.250 nan 0.000 0.451 266 D N -0.258 120.272 120.400 0.217 0.000 2.340 266 D HA -0.030 4.611 4.640 0.001 0.000 0.220 266 D C 0.623 176.986 176.300 0.104 0.000 1.039 266 D CA 0.314 54.394 54.000 0.133 0.000 0.866 266 D CB -0.049 40.804 40.800 0.089 0.000 0.913 266 D HN 0.351 nan 8.370 nan 0.000 0.523 267 W N 0.176 121.337 121.300 -0.232 0.000 2.905 267 W HA 0.139 4.800 4.660 0.001 0.000 0.251 267 W C 0.409 176.403 176.519 -0.875 0.000 1.305 267 W CA -0.052 56.944 57.345 -0.580 0.000 1.465 267 W CB -0.216 28.793 29.460 -0.751 0.000 1.122 267 W HN -0.170 nan 8.180 nan 0.000 0.659 268 F N -2.426 117.638 119.950 0.190 0.000 2.814 268 F HA 0.464 4.992 4.527 0.001 0.000 0.353 268 F C -0.623 175.133 175.800 -0.073 0.000 1.177 268 F CA -1.608 56.488 58.000 0.160 0.000 1.036 268 F CB 0.269 39.464 39.000 0.326 0.000 1.455 268 F HN -0.543 nan 8.300 nan 0.000 0.520 269 F N 1.952 122.140 119.950 0.396 0.000 2.371 269 F HA 0.461 4.989 4.527 0.001 0.000 0.343 269 F C -0.757 175.181 175.800 0.229 0.000 1.150 269 F CA -0.413 57.734 58.000 0.244 0.000 1.220 269 F CB 0.282 39.393 39.000 0.185 0.000 1.475 269 F HN -0.025 nan 8.300 nan 0.000 0.521 270 I N 1.876 122.603 120.570 0.263 0.000 2.365 270 I HA 0.112 4.282 4.170 0.001 0.000 0.291 270 I C 1.464 177.565 176.117 -0.027 0.000 1.004 270 I CA -0.027 61.323 61.300 0.084 0.000 1.311 270 I CB 1.125 39.019 38.000 -0.176 0.000 1.401 270 I HN 0.543 nan 8.210 nan 0.000 0.491 271 E N 3.729 123.910 120.200 -0.032 0.000 2.190 271 E HA 0.041 4.392 4.350 0.001 0.000 0.191 271 E C -0.674 175.852 176.600 -0.124 0.000 0.978 271 E CA 0.391 56.768 56.400 -0.038 0.000 0.839 271 E CB 0.157 29.859 29.700 0.003 0.000 0.787 271 E HN 0.756 nan 8.360 nan 0.000 0.473 272 D N -1.024 119.228 120.400 -0.247 0.000 2.653 272 D HA 0.394 5.034 4.640 0.001 0.000 0.258 272 D C -1.301 174.753 176.300 -0.410 0.000 1.252 272 D CA -0.731 53.121 54.000 -0.247 0.000 0.777 272 D CB 0.336 41.101 40.800 -0.058 0.000 1.339 272 D HN -0.049 nan 8.370 nan 0.000 0.422 273 F N -0.090 119.888 119.950 0.047 0.000 2.561 273 F HA 0.628 5.156 4.527 0.001 0.000 0.321 273 F C -1.606 174.207 175.800 0.022 0.000 1.065 273 F CA -1.451 56.567 58.000 0.029 0.000 0.934 273 F CB 1.033 40.041 39.000 0.013 0.000 1.215 273 F HN 0.235 nan 8.300 nan 0.000 0.471 274 P HA 0.266 nan 4.420 nan 0.000 0.273 274 P C -0.885 176.519 177.300 0.173 0.000 1.250 274 P CA -0.260 62.980 63.100 0.233 0.000 0.793 274 P CB 0.889 32.660 31.700 0.117 0.000 1.011 275 V N 0.094 120.106 119.914 0.163 0.000 2.686 275 V HA 0.349 4.470 4.120 0.001 0.000 0.295 275 V C 1.224 177.404 176.094 0.143 0.000 1.057 275 V CA 0.641 63.003 62.300 0.103 0.000 1.012 275 V CB 0.457 32.254 31.823 -0.043 0.000 1.006 275 V HN 1.160 nan 8.190 nan 0.000 0.477 276 S N 2.151 118.043 115.700 0.319 0.000 3.973 276 S HA -0.214 4.256 4.470 0.001 0.000 0.627 276 S C -0.029 174.673 174.600 0.170 0.000 2.126 276 S CA 1.209 59.630 58.200 0.369 0.000 4.069 276 S CB -0.765 62.669 63.200 0.390 0.000 0.220 276 S HN 1.239 nan 8.310 nan 0.000 0.739 277 K N 1.419 121.904 120.400 0.142 0.000 4.624 277 K HA -0.037 4.284 4.320 0.001 0.000 0.703 277 K C 0.057 176.695 176.600 0.064 0.000 1.220 277 K CA 1.327 57.665 56.287 0.085 0.000 1.390 277 K CB -2.469 30.069 32.500 0.063 0.000 2.158 277 K HN 1.664 nan 8.250 nan 0.000 0.346 278 T N -1.285 113.310 114.554 0.069 0.000 0.555 278 T HA -0.243 4.108 4.350 0.001 0.000 0.773 278 T C 0.905 175.626 174.700 0.034 0.000 0.992 278 T CA 0.631 62.760 62.100 0.048 0.000 4.073 278 T CB -0.947 67.938 68.868 0.030 0.000 2.304 278 T HN 0.495 nan 8.240 nan 0.000 0.398 279 S N 0.143 115.850 115.700 0.011 0.000 2.561 279 S HA 0.033 4.503 4.470 0.001 0.000 0.225 279 S C 1.041 175.611 174.600 -0.050 0.000 0.977 279 S CA 0.707 58.898 58.200 -0.015 0.000 0.926 279 S CB -0.250 62.941 63.200 -0.015 0.000 0.769 279 S HN 0.516 nan 8.310 nan 0.000 0.533 280 R N 3.635 124.111 120.500 -0.039 0.000 2.891 280 R HA 0.117 4.458 4.340 0.001 0.000 0.248 280 R C -0.378 175.867 176.300 -0.091 0.000 1.439 280 R CA 0.003 56.067 56.100 -0.059 0.000 1.288 280 R CB -1.091 29.190 30.300 -0.031 0.000 1.212 280 R HN 0.453 nan 8.270 nan 0.000 0.605 281 T N 0.557 114.996 114.554 -0.192 0.000 2.907 281 T HA 0.141 4.491 4.350 0.001 0.000 0.298 281 T C 0.869 175.386 174.700 -0.305 0.000 1.017 281 T CA -0.742 61.121 62.100 -0.395 0.000 1.118 281 T CB 0.814 69.186 68.868 -0.827 0.000 0.948 281 T HN 0.497 nan 8.240 nan 0.000 0.531 282 N N 1.145 119.728 118.700 -0.196 0.000 2.389 282 N HA 0.138 4.879 4.740 0.001 0.000 0.260 282 N C -0.876 174.675 175.510 0.068 0.000 1.191 282 N CA -0.771 52.252 53.050 -0.046 0.000 0.885 282 N CB -0.383 38.112 38.487 0.013 0.000 1.162 282 N HN 0.896 nan 8.380 nan 0.000 0.512 283 Y N -2.719 117.611 120.300 0.049 0.000 2.544 283 Y HA 0.542 5.093 4.550 0.001 0.000 0.342 283 Y C -0.292 175.664 175.900 0.094 0.000 1.062 283 Y CA -1.455 56.708 58.100 0.104 0.000 1.023 283 Y CB 0.720 39.289 38.460 0.181 0.000 1.308 283 Y HN -0.074 nan 8.280 nan 0.000 0.457 284 E N 1.714 122.080 120.200 0.276 0.000 2.392 284 E HA 0.415 4.766 4.350 0.001 0.000 0.264 284 E C -0.429 176.277 176.600 0.176 0.000 1.024 284 E CA 0.265 56.731 56.400 0.111 0.000 0.903 284 E CB 0.823 30.521 29.700 -0.003 0.000 0.963 284 E HN 0.872 nan 8.360 nan 0.000 0.432 285 T N 0.837 115.408 114.554 0.029 0.000 2.804 285 T HA 0.341 4.692 4.350 0.001 0.000 0.290 285 T C -0.360 174.333 174.700 -0.012 0.000 1.099 285 T CA -0.915 61.223 62.100 0.062 0.000 1.011 285 T CB 0.468 69.342 68.868 0.010 0.000 1.291 285 T HN 0.409 nan 8.240 nan 0.000 0.523 286 F N 2.216 122.064 119.950 -0.170 0.000 2.553 286 F HA 0.435 4.962 4.527 0.001 0.000 0.356 286 F C 1.115 176.801 175.800 -0.191 0.000 1.142 286 F CA 0.814 58.669 58.000 -0.243 0.000 1.322 286 F CB -0.380 38.243 39.000 -0.628 0.000 1.126 286 F HN 1.356 nan 8.300 nan 0.000 0.599 287 A N 2.561 124.629 122.820 -1.255 0.000 5.584 287 A HA -0.231 4.090 4.320 0.001 0.000 0.303 287 A C -0.574 176.739 177.584 -0.453 0.000 1.923 287 A CA 0.977 52.443 52.037 -0.951 0.000 0.717 287 A CB -2.128 16.224 19.000 -1.080 0.000 1.281 287 A HN 1.387 nan 8.150 nan 0.000 0.379 288 V N 0.460 120.174 119.914 -0.333 0.000 2.487 288 V HA 0.581 4.702 4.120 0.001 0.000 0.298 288 V C -0.038 175.957 176.094 -0.166 0.000 1.028 288 V CA 0.223 62.393 62.300 -0.217 0.000 0.860 288 V CB 1.430 33.143 31.823 -0.182 0.000 0.991 288 V HN 1.033 nan 8.190 nan 0.000 0.427 289 Q N 2.078 121.785 119.800 -0.156 0.000 2.443 289 Q HA -0.156 4.185 4.340 0.001 0.000 0.337 289 Q C -0.326 175.614 176.000 -0.100 0.000 1.401 289 Q CA 0.407 56.126 55.803 -0.140 0.000 0.943 289 Q CB -1.016 27.654 28.738 -0.114 0.000 1.177 289 Q HN 0.640 nan 8.270 nan 0.000 0.394 290 V N 1.861 121.725 119.914 -0.083 0.000 2.220 290 V HA 0.083 4.204 4.120 0.001 0.000 0.265 290 V C -0.866 175.241 176.094 0.022 0.000 1.078 290 V CA -0.741 61.554 62.300 -0.009 0.000 0.872 290 V CB 1.179 33.033 31.823 0.052 0.000 1.121 290 V HN 0.176 nan 8.190 nan 0.000 0.460 291 P HA -0.235 nan 4.420 nan 0.000 0.217 291 P C 1.277 178.698 177.300 0.201 0.000 1.148 291 P CA 1.816 64.997 63.100 0.135 0.000 0.834 291 P CB 0.457 32.228 31.700 0.120 0.000 0.783 292 A N -1.372 121.524 122.820 0.126 0.000 2.206 292 A HA 0.108 4.429 4.320 0.001 0.000 0.211 292 A C 1.528 179.151 177.584 0.066 0.000 1.158 292 A CA 0.478 52.579 52.037 0.107 0.000 0.761 292 A CB -0.762 18.311 19.000 0.121 0.000 0.801 292 A HN 0.195 nan 8.150 nan 0.000 0.473 293 M N 1.646 121.282 119.600 0.060 0.000 2.488 293 M HA 0.234 4.715 4.480 0.001 0.000 0.204 293 M C -2.885 173.455 176.300 0.067 0.000 0.969 293 M CA -1.737 53.584 55.300 0.035 0.000 0.720 293 M CB 1.775 34.305 32.600 -0.116 0.000 1.427 293 M HN -0.046 nan 8.290 nan 0.000 0.427 294 P HA 0.054 nan 4.420 nan 0.000 0.271 294 P C -0.751 176.712 177.300 0.271 0.000 1.226 294 P CA 0.023 63.123 63.100 -0.001 0.000 0.765 294 P CB 0.794 31.952 31.700 -0.904 0.000 0.835 295 K N 3.983 124.607 120.400 0.373 0.000 2.382 295 K HA 0.152 4.473 4.320 0.001 0.000 0.275 295 K C -0.336 176.586 176.600 0.537 0.000 1.009 295 K CA -0.325 56.209 56.287 0.411 0.000 0.970 295 K CB 0.125 32.772 32.500 0.244 0.000 0.934 295 K HN 0.471 nan 8.250 nan 0.000 0.479 296 L N 4.316 125.754 121.223 0.358 0.000 2.312 296 L HA 0.320 4.661 4.340 0.001 0.000 0.281 296 L C 0.776 177.744 176.870 0.164 0.000 1.070 296 L CA -0.446 54.492 54.840 0.163 0.000 0.805 296 L CB 1.209 43.256 42.059 -0.020 0.000 1.174 296 L HN 0.605 nan 8.230 nan 0.000 0.434 297 R N 1.391 121.864 120.500 -0.045 0.000 3.266 297 R HA 0.043 4.384 4.340 0.001 0.000 0.224 297 R C 1.061 177.237 176.300 -0.205 0.000 1.525 297 R CA 0.023 56.048 56.100 -0.124 0.000 1.364 297 R CB 0.117 30.126 30.300 -0.485 0.000 1.276 297 R HN 0.837 nan 8.270 nan 0.000 0.660 298 T N -1.251 113.196 114.554 -0.178 0.000 3.025 298 T HA -0.110 4.241 4.350 0.001 0.000 0.270 298 T C 1.037 175.650 174.700 -0.145 0.000 1.126 298 T CA 1.039 62.977 62.100 -0.270 0.000 1.105 298 T CB 0.025 68.537 68.868 -0.594 0.000 0.884 298 T HN 0.566 nan 8.240 nan 0.000 0.522 299 E N 1.122 121.259 120.200 -0.104 0.000 2.274 299 E HA 0.029 4.380 4.350 0.001 0.000 0.194 299 E C 0.799 177.329 176.600 -0.116 0.000 0.996 299 E CA -0.085 56.276 56.400 -0.064 0.000 0.840 299 E CB -0.005 29.688 29.700 -0.011 0.000 0.772 299 E HN 0.425 nan 8.360 nan 0.000 0.491 300 N N 1.705 120.291 118.700 -0.190 0.000 2.431 300 N HA -0.014 4.727 4.740 0.001 0.000 0.265 300 N C -1.653 173.696 175.510 -0.268 0.000 1.184 300 N CA -1.545 51.369 53.050 -0.228 0.000 0.943 300 N CB 1.107 39.405 38.487 -0.316 0.000 1.080 300 N HN -0.115 nan 8.380 nan 0.000 0.477 301 P HA -0.165 nan 4.420 nan 0.000 0.218 301 P C 0.442 177.587 177.300 -0.259 0.000 1.146 301 P CA 1.423 64.395 63.100 -0.213 0.000 0.813 301 P CB 0.479 32.100 31.700 -0.131 0.000 0.778 302 E N -0.235 119.811 120.200 -0.257 0.000 2.072 302 E HA -0.071 4.279 4.350 0.001 0.000 0.190 302 E C 2.198 178.429 176.600 -0.614 0.000 0.982 302 E CA 0.829 57.083 56.400 -0.243 0.000 0.803 302 E CB -0.513 29.195 29.700 0.013 0.000 0.755 302 E HN 0.083 nan 8.360 nan 0.000 0.453 303 V N 1.958 121.295 119.914 -0.962 0.000 2.343 303 V HA -0.275 3.846 4.120 0.001 0.000 0.247 303 V C 2.434 178.186 176.094 -0.571 0.000 1.051 303 V CA 1.938 63.591 62.300 -1.077 0.000 1.036 303 V CB -0.448 30.846 31.823 -0.882 0.000 0.654 303 V HN 0.206 nan 8.190 nan 0.000 0.451 304 K N 0.130 120.237 120.400 -0.489 0.000 2.057 304 K HA -0.266 4.055 4.320 0.001 0.000 0.207 304 K C 2.178 178.290 176.600 -0.814 0.000 1.049 304 K CA 1.934 57.839 56.287 -0.636 0.000 0.931 304 K CB -0.110 31.957 32.500 -0.721 0.000 0.714 304 K HN 0.377 nan 8.250 nan 0.000 0.440 305 E N -0.084 119.821 120.200 -0.492 0.000 2.106 305 E HA -0.196 4.155 4.350 0.001 0.000 0.192 305 E C 1.726 178.263 176.600 -0.106 0.000 0.984 305 E CA 1.222 57.462 56.400 -0.267 0.000 0.806 305 E CB -0.412 29.218 29.700 -0.117 0.000 0.750 305 E HN 0.446 nan 8.360 nan 0.000 0.458 306 Y N 0.630 120.813 120.300 -0.194 0.000 2.070 306 Y HA -0.195 4.356 4.550 0.001 0.000 0.280 306 Y C 1.963 177.806 175.900 -0.095 0.000 1.148 306 Y CA 2.130 60.201 58.100 -0.048 0.000 1.125 306 Y CB -0.317 38.148 38.460 0.009 0.000 0.975 306 Y HN 0.034 nan 8.280 nan 0.000 0.492 307 L N -1.011 120.145 121.223 -0.113 0.000 2.079 307 L HA -0.258 4.083 4.340 0.001 0.000 0.210 307 L C 2.447 179.240 176.870 -0.128 0.000 1.081 307 L CA 1.509 56.122 54.840 -0.378 0.000 0.752 307 L CB -0.810 40.818 42.059 -0.719 0.000 0.896 307 L HN 0.293 nan 8.230 nan 0.000 0.433 308 F N 0.125 119.920 119.950 -0.259 0.000 2.171 308 F HA -0.229 4.298 4.527 0.001 0.000 0.300 308 F C 2.361 178.131 175.800 -0.051 0.000 1.090 308 F CA 0.341 58.269 58.000 -0.121 0.000 1.293 308 F CB -0.143 38.768 39.000 -0.148 0.000 1.013 308 F HN 0.177 nan 8.300 nan 0.000 0.486 309 D N 0.210 120.661 120.400 0.085 0.000 2.117 309 D HA -0.136 4.505 4.640 0.001 0.000 0.198 309 D C 2.382 178.703 176.300 0.035 0.000 0.982 309 D CA 0.960 54.968 54.000 0.014 0.000 0.828 309 D CB -0.469 40.268 40.800 -0.105 0.000 0.967 309 D HN 0.034 nan 8.370 nan 0.000 0.464 310 V N 1.478 121.374 119.914 -0.029 0.000 2.287 310 V HA -0.276 3.844 4.120 0.001 0.000 0.248 310 V C 2.537 178.935 176.094 0.507 0.000 1.053 310 V CA 1.944 64.344 62.300 0.167 0.000 1.027 310 V CB -0.810 31.132 31.823 0.197 0.000 0.646 310 V HN 0.191 nan 8.190 nan 0.000 0.447 311 A N -0.289 122.811 122.820 0.467 0.000 1.902 311 A HA -0.215 4.106 4.320 0.001 0.000 0.217 311 A C 2.374 180.310 177.584 0.587 0.000 1.181 311 A CA 1.745 54.135 52.037 0.588 0.000 0.623 311 A CB -0.487 18.713 19.000 0.334 0.000 0.818 311 A HN 0.512 nan 8.150 nan 0.000 0.443 312 R N -1.907 118.790 120.500 0.330 0.000 2.081 312 R HA -0.136 4.205 4.340 0.001 0.000 0.235 312 R C 2.034 178.470 176.300 0.226 0.000 1.131 312 R CA 1.636 57.875 56.100 0.231 0.000 0.960 312 R CB -0.567 29.815 30.300 0.137 0.000 0.856 312 R HN 0.615 nan 8.270 nan 0.000 0.436 313 F N 0.135 120.112 119.950 0.045 0.000 2.069 313 F HA -0.249 4.279 4.527 0.001 0.000 0.298 313 F C 1.671 177.369 175.800 -0.169 0.000 1.113 313 F CA 1.606 59.509 58.000 -0.162 0.000 1.214 313 F CB -0.314 38.450 39.000 -0.392 0.000 0.978 313 F HN 0.010 nan 8.300 nan 0.000 0.474 314 W N 0.003 121.537 121.300 0.389 0.000 2.402 314 W HA -0.107 4.554 4.660 0.001 0.000 0.286 314 W C 2.392 179.023 176.519 0.187 0.000 1.221 314 W CA 0.805 58.322 57.345 0.287 0.000 1.257 314 W CB -0.433 29.358 29.460 0.553 0.000 1.120 314 W HN 0.008 nan 8.180 nan 0.000 0.551 315 M N -0.053 119.805 119.600 0.430 0.000 2.319 315 M HA -0.146 4.335 4.480 0.001 0.000 0.265 315 M C 1.513 177.891 176.300 0.130 0.000 1.068 315 M CA 1.452 56.919 55.300 0.279 0.000 1.118 315 M CB -0.353 32.443 32.600 0.326 0.000 1.395 315 M HN 0.056 nan 8.290 nan 0.000 0.435 316 E N 0.077 120.294 120.200 0.029 0.000 2.274 316 E HA -0.150 4.200 4.350 0.001 0.000 0.194 316 E C 1.566 178.122 176.600 -0.074 0.000 0.996 316 E CA 0.580 56.943 56.400 -0.061 0.000 0.840 316 E CB 0.029 29.628 29.700 -0.168 0.000 0.772 316 E HN 0.500 nan 8.360 nan 0.000 0.491 317 Q N -0.485 119.292 119.800 -0.039 0.000 2.444 317 Q HA 0.054 4.395 4.340 0.001 0.000 0.206 317 Q C 1.210 177.266 176.000 0.094 0.000 0.948 317 Q CA 0.789 56.624 55.803 0.054 0.000 0.946 317 Q CB 0.839 29.746 28.738 0.282 0.000 1.027 317 Q HN 0.415 nan 8.270 nan 0.000 0.513 318 G N 1.689 110.547 108.800 0.097 0.000 2.141 318 G HA2 -0.267 3.694 3.960 0.001 0.000 0.231 318 G HA3 -0.267 3.694 3.960 0.001 0.000 0.231 318 G C 0.383 175.375 174.900 0.154 0.000 0.984 318 G CA 0.273 45.440 45.100 0.112 0.000 0.660 318 G HN 0.496 nan 8.290 nan 0.000 0.525 319 I N -2.648 118.008 120.570 0.143 0.000 3.194 319 I HA 0.458 4.629 4.170 0.001 0.000 0.283 319 I C 0.554 176.716 176.117 0.075 0.000 1.199 319 I CA 0.119 61.480 61.300 0.103 0.000 1.328 319 I CB 0.515 38.541 38.000 0.043 0.000 1.404 319 I HN -0.070 nan 8.210 nan 0.000 0.618 320 D N 2.042 122.480 120.400 0.063 0.000 2.431 320 D HA 0.342 4.982 4.640 0.001 0.000 0.213 320 D C 0.486 176.891 176.300 0.175 0.000 1.130 320 D CA 0.345 54.396 54.000 0.084 0.000 0.834 320 D CB 1.240 42.021 40.800 -0.032 0.000 0.985 320 D HN 0.900 nan 8.370 nan 0.000 0.504 321 G N 0.289 109.090 108.800 0.001 0.000 2.324 321 G HA2 0.303 4.263 3.960 0.001 0.000 0.293 321 G HA3 0.303 4.263 3.960 0.001 0.000 0.293 321 G C -2.244 172.518 174.900 -0.229 0.000 1.297 321 G CA -1.070 44.048 45.100 0.031 0.000 0.853 321 G HN 0.033 nan 8.290 nan 0.000 0.535 322 W N -0.368 121.035 121.300 0.172 0.000 2.950 322 W HA 0.804 5.465 4.660 0.001 0.000 0.340 322 W C 0.012 176.457 176.519 -0.123 0.000 1.139 322 W CA -0.925 56.482 57.345 0.103 0.000 1.188 322 W CB 2.072 31.653 29.460 0.201 0.000 1.426 322 W HN 0.475 nan 8.180 nan 0.000 0.531 323 R N 3.109 123.674 120.500 0.108 0.000 2.388 323 R HA 0.454 4.795 4.340 0.001 0.000 0.314 323 R C -1.541 174.664 176.300 -0.158 0.000 0.959 323 R CA -0.553 55.418 56.100 -0.216 0.000 0.851 323 R CB 0.655 30.767 30.300 -0.315 0.000 1.168 323 R HN 0.770 nan 8.270 nan 0.000 0.472 324 L N 4.371 125.363 121.223 -0.385 0.000 2.295 324 L HA 0.264 4.605 4.340 0.001 0.000 0.288 324 L C 0.538 177.249 176.870 -0.266 0.000 1.079 324 L CA -0.737 53.849 54.840 -0.424 0.000 0.830 324 L CB 0.421 41.943 42.059 -0.895 0.000 1.200 324 L HN 0.500 nan 8.230 nan 0.000 0.438 325 N N 2.421 121.070 118.700 -0.086 0.000 2.454 325 N HA 0.061 4.802 4.740 0.001 0.000 0.260 325 N C 0.569 176.087 175.510 0.014 0.000 1.218 325 N CA 0.001 53.071 53.050 0.033 0.000 0.904 325 N CB 0.737 39.316 38.487 0.153 0.000 1.065 325 N HN 0.382 nan 8.380 nan 0.000 0.462 326 V N 1.990 121.932 119.914 0.046 0.000 5.175 326 V HA -0.334 3.787 4.120 0.001 0.000 0.279 326 V C 1.640 177.770 176.094 0.061 0.000 0.571 326 V CA 1.140 63.493 62.300 0.089 0.000 0.694 326 V CB -2.919 29.033 31.823 0.215 0.000 0.525 326 V HN 0.836 nan 8.190 nan 0.000 1.093 327 A N 1.543 124.320 122.820 -0.072 0.000 2.032 327 A HA -0.220 4.101 4.320 0.001 0.000 0.221 327 A C 1.898 179.510 177.584 0.046 0.000 1.165 327 A CA 2.034 54.029 52.037 -0.070 0.000 0.645 327 A CB -0.434 18.158 19.000 -0.680 0.000 0.807 327 A HN 1.073 nan 8.150 nan 0.000 0.453 328 N N -0.022 118.564 118.700 -0.190 0.000 2.521 328 N HA -0.071 4.670 4.740 0.001 0.000 0.188 328 N C 0.682 176.324 175.510 0.221 0.000 1.146 328 N CA 1.061 54.028 53.050 -0.138 0.000 0.893 328 N CB -0.354 37.941 38.487 -0.321 0.000 0.975 328 N HN 0.678 nan 8.380 nan 0.000 0.451 329 E N -0.292 120.020 120.200 0.187 0.000 2.501 329 E HA 0.196 4.547 4.350 0.001 0.000 0.201 329 E C -0.570 176.101 176.600 0.118 0.000 1.016 329 E CA -0.167 56.326 56.400 0.154 0.000 0.920 329 E CB 1.064 30.835 29.700 0.118 0.000 1.023 329 E HN 0.053 nan 8.360 nan 0.000 0.474 330 V N 3.038 123.054 119.914 0.169 0.000 2.547 330 V HA 0.054 4.175 4.120 0.001 0.000 0.299 330 V C 0.155 176.230 176.094 -0.031 0.000 1.040 330 V CA -1.023 61.227 62.300 -0.084 0.000 0.913 330 V CB 1.673 33.282 31.823 -0.356 0.000 0.992 330 V HN 0.208 nan 8.190 nan 0.000 0.449 331 D N 2.107 122.417 120.400 -0.150 0.000 2.382 331 D HA -0.016 4.625 4.640 0.001 0.000 0.240 331 D C 0.685 177.023 176.300 0.064 0.000 1.146 331 D CA -0.037 53.958 54.000 -0.009 0.000 0.897 331 D CB 0.979 41.799 40.800 0.033 0.000 1.197 331 D HN 0.622 nan 8.370 nan 0.000 0.432 332 H N 0.960 120.181 119.070 0.252 0.000 2.387 332 H HA -0.059 4.498 4.556 0.001 0.000 0.299 332 H C 2.106 177.581 175.328 0.246 0.000 1.090 332 H CA 2.197 58.417 56.048 0.287 0.000 1.332 332 H CB 0.036 29.853 29.762 0.092 0.000 1.386 332 H HN 0.640 nan 8.280 nan 0.000 0.516 333 A N 0.688 123.673 122.820 0.276 0.000 1.877 333 A HA -0.210 4.110 4.320 0.001 0.000 0.216 333 A C 2.122 179.856 177.584 0.249 0.000 1.186 333 A CA 1.503 53.665 52.037 0.208 0.000 0.620 333 A CB -1.008 18.070 19.000 0.129 0.000 0.822 333 A HN 0.471 nan 8.150 nan 0.000 0.443 334 F N -0.630 119.331 119.950 0.018 0.000 2.091 334 F HA -0.247 4.281 4.527 0.001 0.000 0.299 334 F C 2.046 177.963 175.800 0.196 0.000 1.103 334 F CA 1.886 59.870 58.000 -0.026 0.000 1.228 334 F CB -0.548 38.212 39.000 -0.401 0.000 0.984 334 F HN 0.442 nan 8.300 nan 0.000 0.477 335 W N 0.315 122.006 121.300 0.650 0.000 2.388 335 W HA -0.081 4.580 4.660 0.001 0.000 0.294 335 W C 2.611 179.360 176.519 0.383 0.000 1.212 335 W CA 0.610 58.300 57.345 0.575 0.000 1.271 335 W CB -0.334 29.438 29.460 0.520 0.000 1.126 335 W HN -0.167 nan 8.180 nan 0.000 0.535 336 R N 0.499 121.282 120.500 0.471 0.000 2.075 336 R HA -0.121 4.220 4.340 0.001 0.000 0.232 336 R C 1.817 178.245 176.300 0.214 0.000 1.126 336 R CA 1.475 57.738 56.100 0.272 0.000 0.963 336 R CB -0.436 29.969 30.300 0.174 0.000 0.858 336 R HN 0.318 nan 8.270 nan 0.000 0.435 337 E N -0.108 120.226 120.200 0.224 0.000 2.107 337 E HA -0.161 4.189 4.350 0.001 0.000 0.191 337 E C 1.622 178.207 176.600 -0.025 0.000 0.982 337 E CA 0.766 57.255 56.400 0.148 0.000 0.809 337 E CB -0.104 29.750 29.700 0.256 0.000 0.756 337 E HN 0.175 nan 8.360 nan 0.000 0.459 338 F N 2.029 121.880 119.950 -0.164 0.000 2.095 338 F HA -0.201 4.327 4.527 0.001 0.000 0.298 338 F C 2.418 178.143 175.800 -0.124 0.000 1.104 338 F CA 1.676 59.423 58.000 -0.423 0.000 1.232 338 F CB -0.052 38.991 39.000 0.071 0.000 0.987 338 F HN -0.204 nan 8.300 nan 0.000 0.475 339 R N 0.266 120.860 120.500 0.156 0.000 2.083 339 R HA -0.183 4.158 4.340 0.001 0.000 0.237 339 R C 2.513 178.776 176.300 -0.061 0.000 1.137 339 R CA 1.752 57.891 56.100 0.066 0.000 0.951 339 R CB -0.330 30.073 30.300 0.172 0.000 0.851 339 R HN 0.258 nan 8.270 nan 0.000 0.434 340 R N 0.374 120.846 120.500 -0.047 0.000 2.081 340 R HA -0.117 4.223 4.340 0.001 0.000 0.235 340 R C 2.424 178.653 176.300 -0.118 0.000 1.131 340 R CA 1.371 57.439 56.100 -0.054 0.000 0.960 340 R CB -0.390 29.897 30.300 -0.021 0.000 0.856 340 R HN 0.332 nan 8.270 nan 0.000 0.436 341 L N 0.669 121.750 121.223 -0.237 0.000 1.976 341 L HA -0.198 4.143 4.340 0.001 0.000 0.209 341 L C 2.205 178.923 176.870 -0.254 0.000 1.071 341 L CA 1.587 56.255 54.840 -0.287 0.000 0.746 341 L CB -0.373 41.359 42.059 -0.545 0.000 0.890 341 L HN 0.058 nan 8.230 nan 0.000 0.432 342 V N 0.409 120.090 119.914 -0.388 0.000 2.252 342 V HA -0.319 3.802 4.120 0.001 0.000 0.249 342 V C 2.658 178.717 176.094 -0.058 0.000 1.056 342 V CA 1.877 64.035 62.300 -0.236 0.000 1.022 342 V CB -0.712 30.916 31.823 -0.326 0.000 0.641 342 V HN 0.441 nan 8.190 nan 0.000 0.445 343 K N 0.797 121.169 120.400 -0.046 0.000 2.148 343 K HA -0.094 4.227 4.320 0.001 0.000 0.204 343 K C 2.439 179.046 176.600 0.011 0.000 1.050 343 K CA 1.633 57.928 56.287 0.013 0.000 0.942 343 K CB -0.723 31.792 32.500 0.025 0.000 0.724 343 K HN 0.700 nan 8.250 nan 0.000 0.446 344 S N 0.733 116.424 115.700 -0.014 0.000 2.387 344 S HA -0.075 4.396 4.470 0.001 0.000 0.226 344 S C 1.987 176.592 174.600 0.007 0.000 1.026 344 S CA 0.549 58.747 58.200 -0.003 0.000 0.972 344 S CB -0.205 62.985 63.200 -0.017 0.000 0.814 344 S HN 0.025 nan 8.310 nan 0.000 0.477 345 L N 1.939 123.164 121.223 0.004 0.000 2.072 345 L HA 0.341 4.682 4.340 0.001 0.000 0.205 345 L C 0.921 177.819 176.870 0.048 0.000 1.079 345 L CA 1.255 56.111 54.840 0.027 0.000 0.752 345 L CB -1.109 40.972 42.059 0.036 0.000 0.906 345 L HN 0.621 nan 8.230 nan 0.000 0.436 346 N N -1.596 117.140 118.700 0.060 0.000 2.629 346 N HA 0.145 4.886 4.740 0.001 0.000 0.277 346 N C -2.320 173.245 175.510 0.091 0.000 1.188 346 N CA -0.897 52.200 53.050 0.079 0.000 0.835 346 N CB 1.735 40.284 38.487 0.102 0.000 1.420 346 N HN -0.232 nan 8.380 nan 0.000 0.542 347 P HA -0.073 nan 4.420 nan 0.000 0.219 347 P C -0.029 177.343 177.300 0.120 0.000 1.146 347 P CA 1.064 64.215 63.100 0.085 0.000 0.808 347 P CB 0.253 31.994 31.700 0.069 0.000 0.779 348 D N -1.384 119.114 120.400 0.165 0.000 2.340 348 D HA 0.170 4.811 4.640 0.001 0.000 0.217 348 D C 0.508 177.050 176.300 0.403 0.000 1.081 348 D CA 0.021 54.190 54.000 0.282 0.000 0.842 348 D CB -0.181 40.827 40.800 0.346 0.000 0.934 348 D HN 0.046 nan 8.370 nan 0.000 0.511 349 A N 0.939 123.922 122.820 0.272 0.000 2.409 349 A HA 0.303 4.624 4.320 0.001 0.000 0.267 349 A C 0.003 177.752 177.584 0.275 0.000 1.127 349 A CA -0.344 51.868 52.037 0.292 0.000 0.795 349 A CB 0.241 19.377 19.000 0.227 0.000 1.061 349 A HN 0.196 nan 8.150 nan 0.000 0.502 350 L N 3.535 124.952 121.223 0.324 0.000 2.349 350 L HA 0.544 4.885 4.340 0.001 0.000 0.275 350 L C -0.400 176.562 176.870 0.153 0.000 1.115 350 L CA 0.168 55.102 54.840 0.156 0.000 0.820 350 L CB 0.625 42.744 42.059 0.100 0.000 1.135 350 L HN 0.576 nan 8.230 nan 0.000 0.445 351 I N 5.832 126.446 120.570 0.073 0.000 2.411 351 I HA 0.344 4.515 4.170 0.001 0.000 0.284 351 I C -1.029 174.964 176.117 -0.207 0.000 1.012 351 I CA -0.674 60.665 61.300 0.065 0.000 1.119 351 I CB 1.574 39.705 38.000 0.218 0.000 1.261 351 I HN 0.211 nan 8.210 nan 0.000 0.448 352 V N 5.226 124.875 119.914 -0.441 0.000 2.378 352 V HA 0.550 4.671 4.120 0.001 0.000 0.288 352 V C 0.660 176.251 176.094 -0.838 0.000 1.016 352 V CA -0.581 61.276 62.300 -0.738 0.000 0.840 352 V CB 1.507 32.576 31.823 -1.257 0.000 0.994 352 V HN 0.839 nan 8.190 nan 0.000 0.431 353 G N 2.480 110.689 108.800 -0.985 0.000 2.420 353 G HA2 0.451 4.411 3.960 0.001 0.000 0.284 353 G HA3 0.451 4.411 3.960 0.001 0.000 0.284 353 G C -0.337 174.187 174.900 -0.626 0.000 1.177 353 G CA -0.297 44.091 45.100 -1.187 0.000 0.841 353 G HN 0.691 nan 8.290 nan 0.000 0.527 354 E N 1.951 121.870 120.200 -0.468 0.000 1.993 354 E HA 0.336 4.686 4.350 0.001 0.000 0.271 354 E C -0.709 175.834 176.600 -0.095 0.000 1.008 354 E CA -0.222 56.069 56.400 -0.183 0.000 0.814 354 E CB 0.295 29.983 29.700 -0.020 0.000 1.098 354 E HN 0.316 nan 8.360 nan 0.000 0.407 355 I N 3.812 124.328 120.570 -0.090 0.000 2.499 355 I HA 0.175 4.345 4.170 0.001 0.000 0.288 355 I C -0.200 175.969 176.117 0.087 0.000 1.048 355 I CA -0.826 60.408 61.300 -0.110 0.000 1.062 355 I CB 1.317 39.053 38.000 -0.439 0.000 1.238 355 I HN 0.587 nan 8.210 nan 0.000 0.426 356 W N 2.996 124.191 121.300 -0.175 0.000 2.863 356 W HA 0.049 4.710 4.660 0.001 0.000 0.258 356 W C 1.164 177.723 176.519 0.066 0.000 1.298 356 W CA 0.093 57.410 57.345 -0.047 0.000 1.451 356 W CB -0.412 28.900 29.460 -0.247 0.000 1.107 356 W HN 0.595 nan 8.180 nan 0.000 0.641 357 H N -3.072 116.184 119.070 0.311 0.000 3.065 357 H HA 0.322 4.879 4.556 0.001 0.000 0.279 357 H C -0.148 175.357 175.328 0.294 0.000 1.594 357 H CA -1.117 55.089 56.048 0.262 0.000 1.547 357 H CB -0.340 29.549 29.762 0.211 0.000 1.771 357 H HN -0.358 nan 8.280 nan 0.000 0.871 358 D N -0.311 120.398 120.400 0.516 0.000 2.502 358 D HA 0.023 4.663 4.640 0.001 0.000 0.249 358 D C 0.119 176.761 176.300 0.570 0.000 1.188 358 D CA 0.534 54.826 54.000 0.486 0.000 0.890 358 D CB 0.255 41.287 40.800 0.388 0.000 1.140 358 D HN 0.710 nan 8.370 nan 0.000 0.505 359 A N 3.200 126.339 122.820 0.532 0.000 2.545 359 A HA 0.112 4.432 4.320 0.001 0.000 0.277 359 A C 1.861 179.694 177.584 0.414 0.000 1.301 359 A CA 0.331 52.660 52.037 0.487 0.000 0.935 359 A CB -0.281 18.813 19.000 0.157 0.000 1.093 359 A HN 0.548 nan 8.150 nan 0.000 0.519 360 S N -0.534 115.453 115.700 0.477 0.000 2.387 360 S HA -0.146 4.325 4.470 0.001 0.000 0.230 360 S C 1.919 176.587 174.600 0.113 0.000 1.035 360 S CA 1.554 59.950 58.200 0.326 0.000 1.014 360 S CB -0.922 62.518 63.200 0.399 0.000 0.836 360 S HN 0.734 nan 8.310 nan 0.000 0.466 361 G N -0.222 108.598 108.800 0.033 0.000 2.470 361 G HA2 -0.111 3.849 3.960 0.001 0.000 0.220 361 G HA3 -0.111 3.849 3.960 0.001 0.000 0.220 361 G C 0.981 175.600 174.900 -0.468 0.000 1.121 361 G CA 0.503 45.398 45.100 -0.342 0.000 0.766 361 G HN 0.654 nan 8.290 nan 0.000 0.553 362 W N -0.523 120.715 121.300 -0.104 0.000 3.008 362 W HA 0.438 5.099 4.660 0.001 0.000 0.355 362 W C 0.570 176.837 176.519 -0.420 0.000 1.095 362 W CA -0.324 56.793 57.345 -0.380 0.000 1.738 362 W CB 0.346 29.434 29.460 -0.620 0.000 1.091 362 W HN 0.046 nan 8.180 nan 0.000 0.574 363 L N 0.926 122.099 121.223 -0.083 0.000 3.154 363 L HA 0.181 4.522 4.340 0.001 0.000 0.266 363 L C 1.349 178.144 176.870 -0.125 0.000 1.300 363 L CA -0.164 54.607 54.840 -0.115 0.000 1.028 363 L CB 0.046 41.976 42.059 -0.215 0.000 1.412 363 L HN -0.214 nan 8.230 nan 0.000 0.564 364 M N -0.530 118.910 119.600 -0.266 0.000 2.428 364 M HA 0.306 4.787 4.480 0.001 0.000 0.239 364 M C 1.513 177.477 176.300 -0.559 0.000 1.121 364 M CA 0.538 55.694 55.300 -0.241 0.000 1.019 364 M CB 0.169 32.691 32.600 -0.131 0.000 1.485 364 M HN 0.427 nan 8.290 nan 0.000 0.484 365 G N 1.075 109.192 108.800 -1.139 0.000 2.284 365 G HA2 -0.198 3.762 3.960 0.001 0.000 0.201 365 G HA3 -0.198 3.762 3.960 0.001 0.000 0.201 365 G C 0.274 174.813 174.900 -0.601 0.000 0.998 365 G CA 0.314 44.545 45.100 -1.448 0.000 0.651 365 G HN 0.496 nan 8.290 nan 0.000 0.489 366 D N 0.021 120.205 120.400 -0.360 0.000 2.363 366 D HA 0.319 4.960 4.640 0.001 0.000 0.214 366 D C 1.338 177.592 176.300 -0.077 0.000 1.093 366 D CA 0.606 54.511 54.000 -0.158 0.000 0.837 366 D CB 0.220 40.964 40.800 -0.094 0.000 0.948 366 D HN 0.550 nan 8.370 nan 0.000 0.507 367 Q N -0.773 118.940 119.800 -0.145 0.000 1.915 367 Q HA 0.330 4.670 4.340 0.001 0.000 0.153 367 Q C -0.162 175.902 176.000 0.106 0.000 0.480 367 Q CA -0.364 55.407 55.803 -0.054 0.000 0.723 367 Q CB 0.733 29.287 28.738 -0.306 0.000 0.940 367 Q HN 0.129 nan 8.270 nan 0.000 0.357 368 F N 1.408 121.349 119.950 -0.015 0.000 2.403 368 F HA 0.261 4.789 4.527 0.001 0.000 0.326 368 F C 0.858 176.659 175.800 0.000 0.000 1.081 368 F CA -0.959 57.007 58.000 -0.058 0.000 1.041 368 F CB 0.881 39.783 39.000 -0.164 0.000 1.234 368 F HN 0.196 nan 8.300 nan 0.000 0.503 369 D N -0.218 120.316 120.400 0.224 0.000 2.271 369 D HA 0.026 4.666 4.640 0.001 0.000 0.206 369 D C 0.589 176.947 176.300 0.096 0.000 0.967 369 D CA 0.867 55.001 54.000 0.223 0.000 0.867 369 D CB 0.765 41.601 40.800 0.061 0.000 0.960 369 D HN 0.355 nan 8.370 nan 0.000 0.509 370 S N -0.809 114.867 115.700 -0.041 0.000 2.703 370 S HA 0.523 4.994 4.470 0.001 0.000 0.273 370 S C -1.822 172.618 174.600 -0.266 0.000 1.178 370 S CA -0.580 57.514 58.200 -0.176 0.000 0.838 370 S CB 1.236 64.248 63.200 -0.313 0.000 1.178 370 S HN -0.048 nan 8.310 nan 0.000 0.494 371 V N -0.597 119.142 119.914 -0.291 0.000 3.188 371 V HA 0.644 4.765 4.120 0.001 0.000 0.305 371 V C -0.684 175.253 176.094 -0.262 0.000 1.232 371 V CA -1.105 61.011 62.300 -0.306 0.000 1.043 371 V CB 1.704 33.424 31.823 -0.172 0.000 1.068 371 V HN 0.956 nan 8.190 nan 0.000 0.439 372 M N 3.294 122.741 119.600 -0.255 0.000 2.292 372 M HA 0.256 4.736 4.480 0.001 0.000 0.342 372 M C 0.348 176.515 176.300 -0.221 0.000 1.538 372 M CA 0.137 55.307 55.300 -0.216 0.000 1.163 372 M CB -0.134 32.306 32.600 -0.267 0.000 1.823 372 M HN 0.798 nan 8.290 nan 0.000 0.462 373 N N 3.094 121.693 118.700 -0.169 0.000 2.819 373 N HA -0.005 4.736 4.740 0.001 0.000 0.284 373 N C 0.024 175.497 175.510 -0.061 0.000 1.196 373 N CA 0.379 53.401 53.050 -0.047 0.000 1.114 373 N CB -0.111 38.382 38.487 0.011 0.000 1.437 373 N HN 0.484 nan 8.380 nan 0.000 0.518 374 Y N 0.800 121.072 120.300 -0.046 0.000 2.497 374 Y HA -0.047 4.503 4.550 0.001 0.000 0.292 374 Y C 1.834 177.791 175.900 0.095 0.000 1.137 374 Y CA 0.644 58.708 58.100 -0.060 0.000 1.285 374 Y CB 0.239 38.558 38.460 -0.234 0.000 0.991 374 Y HN 0.439 nan 8.280 nan 0.000 0.556 375 L N -1.769 119.611 121.223 0.263 0.000 2.093 375 L HA -0.210 4.131 4.340 0.001 0.000 0.208 375 L C 2.252 179.245 176.870 0.204 0.000 1.085 375 L CA 1.222 56.193 54.840 0.218 0.000 0.755 375 L CB -0.674 41.497 42.059 0.186 0.000 0.904 375 L HN 0.251 nan 8.230 nan 0.000 0.435 376 F N 1.252 121.243 119.950 0.068 0.000 2.134 376 F HA -0.223 4.304 4.527 0.001 0.000 0.299 376 F C 2.800 178.656 175.800 0.094 0.000 1.097 376 F CA 1.603 59.642 58.000 0.066 0.000 1.264 376 F CB -0.302 38.736 39.000 0.064 0.000 1.001 376 F HN -0.124 nan 8.300 nan 0.000 0.479 377 R N 0.546 121.246 120.500 0.333 0.000 2.081 377 R HA -0.175 4.166 4.340 0.001 0.000 0.235 377 R C 2.209 178.602 176.300 0.156 0.000 1.131 377 R CA 2.015 58.242 56.100 0.212 0.000 0.960 377 R CB -0.496 29.914 30.300 0.183 0.000 0.856 377 R HN 0.430 nan 8.270 nan 0.000 0.436 378 E N -0.113 120.188 120.200 0.167 0.000 2.058 378 E HA -0.167 4.184 4.350 0.001 0.000 0.194 378 E C 2.070 178.727 176.600 0.095 0.000 0.997 378 E CA 1.737 58.224 56.400 0.144 0.000 0.801 378 E CB -0.004 29.782 29.700 0.143 0.000 0.746 378 E HN 0.335 nan 8.360 nan 0.000 0.450 379 S N 0.345 116.072 115.700 0.044 0.000 2.368 379 S HA -0.123 4.348 4.470 0.001 0.000 0.225 379 S C 2.195 176.882 174.600 0.144 0.000 1.030 379 S CA 0.856 59.084 58.200 0.047 0.000 0.999 379 S CB -0.128 63.009 63.200 -0.105 0.000 0.844 379 S HN 0.062 nan 8.310 nan 0.000 0.459 380 V N 2.255 122.208 119.914 0.065 0.000 2.407 380 V HA -0.138 3.983 4.120 0.001 0.000 0.248 380 V C 2.165 178.461 176.094 0.336 0.000 1.055 380 V CA 1.173 63.581 62.300 0.180 0.000 1.049 380 V CB -0.574 31.216 31.823 -0.055 0.000 0.662 380 V HN 0.416 nan 8.190 nan 0.000 0.455 381 I N -0.023 120.726 120.570 0.298 0.000 2.163 381 I HA -0.190 3.981 4.170 0.001 0.000 0.240 381 I C 2.687 178.868 176.117 0.106 0.000 1.081 381 I CA 1.710 63.178 61.300 0.281 0.000 1.353 381 I CB -1.038 37.090 38.000 0.213 0.000 1.054 381 I HN 0.306 nan 8.210 nan 0.000 0.407 382 R N -0.462 120.079 120.500 0.069 0.000 2.105 382 R HA -0.223 4.118 4.340 0.001 0.000 0.239 382 R C 2.256 178.526 176.300 -0.050 0.000 1.135 382 R CA 1.639 57.743 56.100 0.006 0.000 0.967 382 R CB -0.430 29.878 30.300 0.013 0.000 0.861 382 R HN 0.246 nan 8.270 nan 0.000 0.442 383 F N -0.010 119.737 119.950 -0.337 0.000 2.123 383 F HA 0.003 4.531 4.527 0.001 0.000 0.289 383 F C 1.639 177.072 175.800 -0.612 0.000 1.099 383 F CA 1.151 58.740 58.000 -0.685 0.000 1.234 383 F CB -0.276 37.802 39.000 -1.538 0.000 1.034 383 F HN -0.185 nan 8.300 nan 0.000 0.479 384 F N -0.239 119.490 119.950 -0.368 0.000 2.270 384 F HA 0.159 4.687 4.527 0.001 0.000 0.295 384 F C 2.360 178.032 175.800 -0.213 0.000 1.087 384 F CA 0.803 58.609 58.000 -0.324 0.000 1.365 384 F CB -0.935 38.027 39.000 -0.063 0.000 1.056 384 F HN 0.054 nan 8.300 nan 0.000 0.506 385 A N 0.100 122.927 122.820 0.012 0.000 1.859 385 A HA -0.069 4.252 4.320 0.001 0.000 0.212 385 A C 2.166 179.657 177.584 -0.155 0.000 1.238 385 A CA 1.759 53.686 52.037 -0.183 0.000 0.613 385 A CB -1.258 17.517 19.000 -0.375 0.000 0.904 385 A HN 0.311 nan 8.150 nan 0.000 0.457 386 T N -4.303 110.182 114.554 -0.115 0.000 3.057 386 T HA 0.380 4.731 4.350 0.001 0.000 0.254 386 T C 1.410 176.050 174.700 -0.099 0.000 1.094 386 T CA 1.191 63.234 62.100 -0.096 0.000 1.088 386 T CB 0.012 68.841 68.868 -0.064 0.000 0.934 386 T HN 1.779 nan 8.240 nan 0.000 0.497 387 G N 1.740 110.458 108.800 -0.136 0.000 2.179 387 G HA2 -0.339 3.622 3.960 0.001 0.000 0.257 387 G HA3 -0.339 3.622 3.960 0.001 0.000 0.257 387 G C 0.488 175.330 174.900 -0.096 0.000 1.010 387 G CA 0.640 45.648 45.100 -0.153 0.000 0.736 387 G HN 0.658 nan 8.290 nan 0.000 0.513 388 E N -0.289 119.865 120.200 -0.077 0.000 2.268 388 E HA 0.042 4.393 4.350 0.001 0.000 0.195 388 E C 1.450 178.005 176.600 -0.074 0.000 0.995 388 E CA 1.022 57.386 56.400 -0.059 0.000 0.836 388 E CB -0.083 29.591 29.700 -0.044 0.000 0.763 388 E HN 0.929 nan 8.360 nan 0.000 0.491 389 I N -1.709 118.814 120.570 -0.080 0.000 2.828 389 I HA 0.382 4.553 4.170 0.001 0.000 0.302 389 I C 0.023 176.121 176.117 -0.032 0.000 1.101 389 I CA -1.209 60.003 61.300 -0.145 0.000 1.031 389 I CB 1.834 39.743 38.000 -0.152 0.000 1.231 389 I HN -0.100 nan 8.210 nan 0.000 0.427 390 H N 3.321 122.433 119.070 0.071 0.000 2.500 390 H HA 0.536 5.092 4.556 0.001 0.000 0.351 390 H C 0.921 176.307 175.328 0.097 0.000 1.281 390 H CA -0.380 55.742 56.048 0.122 0.000 1.368 390 H CB 1.436 31.223 29.762 0.041 0.000 1.616 390 H HN 0.819 nan 8.280 nan 0.000 0.591 391 A N 0.839 123.887 122.820 0.379 0.000 1.958 391 A HA -0.248 4.072 4.320 0.001 0.000 0.221 391 A C 2.098 179.678 177.584 -0.006 0.000 1.178 391 A CA 2.073 54.114 52.037 0.006 0.000 0.642 391 A CB -0.833 18.270 19.000 0.172 0.000 0.816 391 A HN 0.880 nan 8.150 nan 0.000 0.453 392 E N -1.225 119.112 120.200 0.230 0.000 2.107 392 E HA -0.150 4.200 4.350 0.001 0.000 0.191 392 E C 2.288 178.933 176.600 0.075 0.000 0.982 392 E CA 1.006 57.496 56.400 0.151 0.000 0.809 392 E CB -0.144 29.629 29.700 0.121 0.000 0.756 392 E HN 0.656 nan 8.360 nan 0.000 0.459 393 R N 0.346 120.868 120.500 0.038 0.000 2.115 393 R HA -0.083 4.258 4.340 0.001 0.000 0.226 393 R C 2.076 178.263 176.300 -0.188 0.000 1.100 393 R CA 0.601 56.619 56.100 -0.136 0.000 0.980 393 R CB -0.177 29.931 30.300 -0.320 0.000 0.875 393 R HN 0.162 nan 8.270 nan 0.000 0.445 394 F N 1.387 121.042 119.950 -0.492 0.000 2.075 394 F HA -0.257 4.271 4.527 0.001 0.000 0.297 394 F C 1.914 177.298 175.800 -0.694 0.000 1.113 394 F CA 2.054 59.593 58.000 -0.768 0.000 1.218 394 F CB -0.232 37.863 39.000 -1.507 0.000 0.984 394 F HN 0.126 nan 8.300 nan 0.000 0.472 395 D N 0.300 120.317 120.400 -0.638 0.000 2.123 395 D HA -0.212 4.429 4.640 0.001 0.000 0.196 395 D C 2.142 178.294 176.300 -0.247 0.000 0.992 395 D CA 1.497 55.247 54.000 -0.418 0.000 0.833 395 D CB -0.265 40.560 40.800 0.042 0.000 0.954 395 D HN 0.342 nan 8.370 nan 0.000 0.455 396 A N 0.290 123.008 122.820 -0.171 0.000 1.873 396 A HA -0.157 4.164 4.320 0.001 0.000 0.215 396 A C 2.156 179.667 177.584 -0.121 0.000 1.186 396 A CA 1.563 53.552 52.037 -0.081 0.000 0.616 396 A CB -0.669 18.312 19.000 -0.032 0.000 0.823 396 A HN 0.299 nan 8.150 nan 0.000 0.442 397 E N -0.644 119.438 120.200 -0.196 0.000 2.085 397 E HA -0.196 4.155 4.350 0.001 0.000 0.194 397 E C 1.894 178.356 176.600 -0.229 0.000 0.994 397 E CA 1.156 57.445 56.400 -0.185 0.000 0.801 397 E CB -0.246 29.335 29.700 -0.198 0.000 0.743 397 E HN 0.391 nan 8.360 nan 0.000 0.453 398 L N 0.673 121.664 121.223 -0.387 0.000 1.989 398 L HA -0.185 4.156 4.340 0.001 0.000 0.211 398 L C 2.449 179.228 176.870 -0.151 0.000 1.071 398 L CA 1.874 56.514 54.840 -0.333 0.000 0.749 398 L CB -1.168 40.555 42.059 -0.560 0.000 0.890 398 L HN 0.129 nan 8.230 nan 0.000 0.431 399 T N -1.138 113.329 114.554 -0.144 0.000 2.746 399 T HA -0.238 4.113 4.350 0.001 0.000 0.267 399 T C 2.044 176.598 174.700 -0.243 0.000 1.039 399 T CA 1.477 63.493 62.100 -0.139 0.000 1.142 399 T CB -0.189 68.637 68.868 -0.071 0.000 0.866 399 T HN 0.251 nan 8.240 nan 0.000 0.444 400 R N 0.965 121.369 120.500 -0.161 0.000 2.081 400 R HA -0.059 4.282 4.340 0.001 0.000 0.235 400 R C 2.575 178.764 176.300 -0.184 0.000 1.131 400 R CA 1.480 57.496 56.100 -0.139 0.000 0.960 400 R CB -0.447 29.852 30.300 -0.001 0.000 0.856 400 R HN 0.379 nan 8.270 nan 0.000 0.436 401 A N 0.940 123.664 122.820 -0.160 0.000 1.898 401 A HA -0.135 4.185 4.320 0.001 0.000 0.216 401 A C 2.209 179.636 177.584 -0.260 0.000 1.181 401 A CA 1.151 53.076 52.037 -0.187 0.000 0.620 401 A CB -0.552 18.392 19.000 -0.095 0.000 0.819 401 A HN 0.319 nan 8.150 nan 0.000 0.442 402 R N -1.125 119.265 120.500 -0.184 0.000 2.105 402 R HA -0.093 4.248 4.340 0.001 0.000 0.239 402 R C 1.566 177.726 176.300 -0.234 0.000 1.135 402 R CA 1.544 57.544 56.100 -0.166 0.000 0.967 402 R CB -0.216 30.013 30.300 -0.117 0.000 0.861 402 R HN 0.414 nan 8.270 nan 0.000 0.442 403 M N 0.105 119.508 119.600 -0.328 0.000 2.619 403 M HA -0.064 4.417 4.480 0.001 0.000 0.251 403 M C 1.674 177.838 176.300 -0.228 0.000 1.106 403 M CA 0.511 55.601 55.300 -0.349 0.000 1.086 403 M CB -0.412 31.817 32.600 -0.618 0.000 1.465 403 M HN 0.087 nan 8.290 nan 0.000 0.506 404 L N -0.950 120.100 121.223 -0.288 0.000 2.141 404 L HA -0.039 4.301 4.340 0.001 0.000 0.209 404 L C 0.349 177.162 176.870 -0.095 0.000 1.094 404 L CA 1.360 56.032 54.840 -0.279 0.000 0.763 404 L CB -0.460 41.235 42.059 -0.606 0.000 0.908 404 L HN 0.184 nan 8.230 nan 0.000 0.437 405 Y N -2.289 118.016 120.300 0.008 0.000 2.602 405 Y HA 0.465 5.015 4.550 0.001 0.000 0.342 405 Y C -2.055 173.789 175.900 -0.094 0.000 1.029 405 Y CA -3.145 54.952 58.100 -0.005 0.000 1.080 405 Y CB 0.450 38.920 38.460 0.016 0.000 1.284 405 Y HN -0.240 nan 8.280 nan 0.000 0.485 406 P HA -0.028 nan 4.420 nan 0.000 0.270 406 P C 0.432 177.566 177.300 -0.278 0.000 1.223 406 P CA 0.007 62.771 63.100 -0.561 0.000 0.785 406 P CB 0.625 31.813 31.700 -0.853 0.000 0.923 407 E N 1.282 121.367 120.200 -0.193 0.000 2.160 407 E HA -0.292 4.059 4.350 0.001 0.000 0.195 407 E C 1.049 177.511 176.600 -0.230 0.000 0.991 407 E CA 1.365 57.707 56.400 -0.098 0.000 0.810 407 E CB -0.485 29.232 29.700 0.028 0.000 0.742 407 E HN 0.381 nan 8.360 nan 0.000 0.466 408 Q N 1.092 120.646 119.800 -0.410 0.000 2.124 408 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 408 Q C 2.179 177.751 176.000 -0.714 0.000 0.977 408 Q CA 2.118 57.521 55.803 -0.666 0.000 0.850 408 Q CB -0.287 27.753 28.738 -1.163 0.000 0.901 408 Q HN 0.486 nan 8.270 nan 0.000 0.429 409 A N 0.524 122.991 122.820 -0.588 0.000 1.854 409 A HA 0.039 4.359 4.320 0.001 0.000 0.214 409 A C 2.283 179.796 177.584 -0.117 0.000 1.192 409 A CA 1.354 53.233 52.037 -0.263 0.000 0.611 409 A CB -1.088 17.898 19.000 -0.023 0.000 0.832 409 A HN 0.360 nan 8.150 nan 0.000 0.442 410 A N -0.803 121.996 122.820 -0.035 0.000 1.917 410 A HA -0.286 4.035 4.320 0.001 0.000 0.219 410 A C 2.124 179.656 177.584 -0.087 0.000 1.182 410 A CA 2.299 54.340 52.037 0.006 0.000 0.633 410 A CB -0.644 18.351 19.000 -0.008 0.000 0.819 410 A HN 0.539 nan 8.150 nan 0.000 0.448 411 Q N -0.683 119.031 119.800 -0.143 0.000 2.234 411 Q HA -0.067 4.274 4.340 0.001 0.000 0.206 411 Q C 1.408 177.322 176.000 -0.144 0.000 0.980 411 Q CA 1.706 57.414 55.803 -0.159 0.000 0.869 411 Q CB -0.411 28.223 28.738 -0.172 0.000 0.912 411 Q HN 0.561 nan 8.270 nan 0.000 0.436 412 G N -1.401 107.320 108.800 -0.132 0.000 3.735 412 G HA2 0.245 4.206 3.960 0.001 0.000 0.283 412 G HA3 0.245 4.206 3.960 0.001 0.000 0.283 412 G C -0.671 174.229 174.900 -0.000 0.000 1.007 412 G CA -0.471 44.579 45.100 -0.084 0.000 0.821 412 G HN 0.081 nan 8.290 nan 0.000 0.505 413 L N 0.841 122.052 121.223 -0.020 0.000 2.514 413 L HA 0.239 4.580 4.340 0.001 0.000 0.280 413 L C -0.181 176.744 176.870 0.091 0.000 1.223 413 L CA -0.800 54.048 54.840 0.013 0.000 0.864 413 L CB 0.079 42.156 42.059 0.030 0.000 1.118 413 L HN 0.197 nan 8.230 nan 0.000 0.494 414 W N 4.244 125.406 121.300 -0.230 0.000 2.497 414 W HA 0.205 4.866 4.660 0.001 0.000 0.354 414 W C 0.153 176.442 176.519 -0.384 0.000 1.111 414 W CA -0.897 56.282 57.345 -0.277 0.000 1.510 414 W CB -0.672 28.634 29.460 -0.258 0.000 1.466 414 W HN 0.395 nan 8.180 nan 0.000 0.409 415 N N 5.230 123.695 118.700 -0.392 0.000 2.415 415 N HA 0.163 4.903 4.740 0.001 0.000 0.250 415 N C -0.226 174.932 175.510 -0.586 0.000 1.127 415 N CA -0.094 52.425 53.050 -0.885 0.000 0.945 415 N CB 0.452 37.975 38.487 -1.607 0.000 1.196 415 N HN 0.389 nan 8.380 nan 0.000 0.499 416 L N -0.888 120.130 121.223 -0.342 0.000 2.334 416 L HA 0.565 4.905 4.340 0.001 0.000 0.270 416 L C 0.386 177.242 176.870 -0.025 0.000 1.018 416 L CA -0.850 53.874 54.840 -0.192 0.000 0.811 416 L CB 1.335 43.233 42.059 -0.269 0.000 1.271 416 L HN 0.215 nan 8.230 nan 0.000 0.443 417 L N 0.110 121.291 121.223 -0.071 0.000 2.408 417 L HA 0.248 4.589 4.340 0.001 0.000 0.215 417 L C -0.295 176.599 176.870 0.041 0.000 1.081 417 L CA 0.290 55.038 54.840 -0.152 0.000 0.840 417 L CB -0.122 41.654 42.059 -0.470 0.000 1.002 417 L HN 0.894 nan 8.230 nan 0.000 0.468 418 D N -2.038 118.360 120.400 -0.004 0.000 2.792 418 D HA 0.463 5.104 4.640 0.001 0.000 0.335 418 D C -0.678 175.484 176.300 -0.231 0.000 1.353 418 D CA -0.336 53.651 54.000 -0.022 0.000 0.839 418 D CB 1.122 41.964 40.800 0.070 0.000 1.396 418 D HN -0.065 nan 8.370 nan 0.000 0.479 419 S N -2.236 113.227 115.700 -0.395 0.000 2.727 419 S HA 0.340 4.811 4.470 0.001 0.000 0.278 419 S C 0.413 174.568 174.600 -0.741 0.000 1.186 419 S CA -0.600 57.271 58.200 -0.548 0.000 0.836 419 S CB 0.605 63.748 63.200 -0.095 0.000 1.186 419 S HN 0.854 nan 8.310 nan 0.000 0.499 420 H N -0.017 118.802 119.070 -0.418 0.000 2.563 420 H HA 0.244 4.800 4.556 0.001 0.000 0.272 420 H C -0.374 174.942 175.328 -0.019 0.000 1.005 420 H CA 0.747 56.713 56.048 -0.136 0.000 1.171 420 H CB -0.491 29.300 29.762 0.048 0.000 1.351 420 H HN 0.582 nan 8.280 nan 0.000 0.602 421 D N 1.161 121.381 120.400 -0.301 0.000 2.469 421 D HA 0.055 4.696 4.640 0.001 0.000 0.213 421 D C 0.720 177.055 176.300 0.058 0.000 1.135 421 D CA 0.449 54.389 54.000 -0.099 0.000 0.834 421 D CB 1.153 41.954 40.800 0.002 0.000 1.009 421 D HN 0.523 nan 8.370 nan 0.000 0.507 422 T N -1.909 112.654 114.554 0.015 0.000 2.888 422 T HA 0.449 4.800 4.350 0.001 0.000 0.288 422 T C -0.016 174.698 174.700 0.025 0.000 1.063 422 T CA -0.918 61.223 62.100 0.069 0.000 1.010 422 T CB 2.601 71.542 68.868 0.120 0.000 1.214 422 T HN -0.008 nan 8.240 nan 0.000 0.533 423 E N 0.859 121.089 120.200 0.051 0.000 2.392 423 E HA 0.252 4.603 4.350 0.001 0.000 0.259 423 E C -0.247 176.392 176.600 0.066 0.000 1.108 423 E CA -0.959 55.465 56.400 0.040 0.000 0.916 423 E CB 0.632 30.349 29.700 0.028 0.000 0.989 423 E HN 0.395 nan 8.360 nan 0.000 0.432 424 R N 1.060 121.604 120.500 0.074 0.000 2.643 424 R HA 0.010 4.351 4.340 0.001 0.000 0.270 424 R C 0.731 177.149 176.300 0.196 0.000 1.061 424 R CA -0.023 56.163 56.100 0.143 0.000 1.107 424 R CB 0.074 30.431 30.300 0.095 0.000 0.999 424 R HN 0.687 nan 8.270 nan 0.000 0.460 425 F N 1.830 121.891 119.950 0.185 0.000 2.171 425 F HA -0.207 4.320 4.527 0.001 0.000 0.300 425 F C 2.015 177.986 175.800 0.286 0.000 1.090 425 F CA 1.205 59.347 58.000 0.238 0.000 1.293 425 F CB -0.125 39.047 39.000 0.286 0.000 1.013 425 F HN 0.456 nan 8.300 nan 0.000 0.486 426 L N -0.108 121.307 121.223 0.320 0.000 2.079 426 L HA -0.191 4.150 4.340 0.001 0.000 0.210 426 L C 2.184 179.014 176.870 -0.067 0.000 1.081 426 L CA 2.353 57.219 54.840 0.043 0.000 0.752 426 L CB -1.293 40.617 42.059 -0.247 0.000 0.896 426 L HN 0.107 nan 8.230 nan 0.000 0.433 427 T N -1.325 113.197 114.554 -0.054 0.000 2.867 427 T HA -0.096 4.254 4.350 0.001 0.000 0.268 427 T C 1.980 176.613 174.700 -0.113 0.000 1.057 427 T CA 1.349 63.404 62.100 -0.074 0.000 1.136 427 T CB -0.181 68.661 68.868 -0.043 0.000 0.874 427 T HN 0.373 nan 8.240 nan 0.000 0.466 428 S N 0.594 116.191 115.700 -0.170 0.000 2.399 428 S HA -0.093 4.378 4.470 0.001 0.000 0.231 428 S C 1.954 176.377 174.600 -0.295 0.000 1.022 428 S CA 0.720 58.772 58.200 -0.247 0.000 0.983 428 S CB -0.370 62.594 63.200 -0.394 0.000 0.803 428 S HN 0.576 nan 8.310 nan 0.000 0.480 429 C N 1.559 120.657 119.300 -0.336 0.000 2.551 429 C HA 0.410 4.871 4.460 0.001 0.000 0.284 429 C C 1.853 176.748 174.990 -0.157 0.000 1.329 429 C CA -0.379 58.488 59.018 -0.253 0.000 1.683 429 C CB -1.672 25.949 27.740 -0.199 0.000 1.730 429 C HN 0.726 nan 8.230 nan 0.000 0.591 430 G N 0.639 109.358 108.800 -0.134 0.000 2.283 430 G HA2 0.013 3.974 3.960 0.001 0.000 0.280 430 G HA3 0.013 3.974 3.960 0.001 0.000 0.280 430 G C 0.976 175.820 174.900 -0.093 0.000 1.029 430 G CA 0.568 45.608 45.100 -0.100 0.000 0.840 430 G HN 1.517 nan 8.290 nan 0.000 0.505 431 G N -1.160 107.581 108.800 -0.099 0.000 2.159 431 G HA2 -0.332 3.628 3.960 0.001 0.000 0.256 431 G HA3 -0.332 3.628 3.960 0.001 0.000 0.256 431 G C 0.293 175.135 174.900 -0.097 0.000 0.977 431 G CA 0.717 45.758 45.100 -0.098 0.000 0.652 431 G HN 1.392 nan 8.290 nan 0.000 0.531 432 N N 0.961 119.601 118.700 -0.100 0.000 2.402 432 N HA 0.190 4.930 4.740 0.001 0.000 0.252 432 N C 1.153 176.618 175.510 -0.076 0.000 1.118 432 N CA 0.447 53.430 53.050 -0.112 0.000 0.945 432 N CB 0.740 39.128 38.487 -0.165 0.000 1.147 432 N HN 0.592 nan 8.380 nan 0.000 0.495 433 E N 3.271 123.430 120.200 -0.068 0.000 2.208 433 E HA -0.117 4.234 4.350 0.001 0.000 0.193 433 E C 1.388 177.992 176.600 0.008 0.000 0.988 433 E CA 0.751 57.143 56.400 -0.012 0.000 0.828 433 E CB 0.183 29.854 29.700 -0.047 0.000 0.763 433 E HN 0.718 nan 8.360 nan 0.000 0.478 434 A N 1.458 124.216 122.820 -0.104 0.000 1.902 434 A HA -0.196 4.124 4.320 0.001 0.000 0.217 434 A C 2.000 179.446 177.584 -0.230 0.000 1.181 434 A CA 1.568 53.511 52.037 -0.157 0.000 0.623 434 A CB -0.270 18.605 19.000 -0.207 0.000 0.818 434 A HN 0.126 nan 8.150 nan 0.000 0.443 435 K N -1.618 118.561 120.400 -0.368 0.000 2.097 435 K HA -0.058 4.263 4.320 0.001 0.000 0.205 435 K C 1.793 178.408 176.600 0.025 0.000 1.050 435 K CA 1.367 57.497 56.287 -0.262 0.000 0.938 435 K CB -0.331 31.997 32.500 -0.286 0.000 0.718 435 K HN 0.481 nan 8.250 nan 0.000 0.442 436 F N 2.447 122.379 119.950 -0.030 0.000 2.069 436 F HA -0.217 4.311 4.527 0.001 0.000 0.298 436 F C 2.232 178.086 175.800 0.090 0.000 1.113 436 F CA 1.537 59.621 58.000 0.141 0.000 1.214 436 F CB -0.010 39.063 39.000 0.123 0.000 0.978 436 F HN -0.139 nan 8.300 nan 0.000 0.474 437 R N -0.224 120.397 120.500 0.203 0.000 2.105 437 R HA -0.188 4.153 4.340 0.001 0.000 0.239 437 R C 2.115 178.450 176.300 0.057 0.000 1.135 437 R CA 1.571 57.735 56.100 0.107 0.000 0.967 437 R CB -0.877 29.328 30.300 -0.158 0.000 0.861 437 R HN 0.337 nan 8.270 nan 0.000 0.442 438 L N 0.707 121.921 121.223 -0.014 0.000 2.093 438 L HA -0.076 4.265 4.340 0.001 0.000 0.208 438 L C 2.265 178.892 176.870 -0.405 0.000 1.085 438 L CA 1.790 56.616 54.840 -0.024 0.000 0.755 438 L CB -0.628 41.516 42.059 0.141 0.000 0.904 438 L HN 0.111 nan 8.230 nan 0.000 0.435 439 A N -1.289 121.100 122.820 -0.720 0.000 1.902 439 A HA -0.151 4.170 4.320 0.001 0.000 0.217 439 A C 2.262 179.533 177.584 -0.522 0.000 1.181 439 A CA 1.977 53.378 52.037 -1.060 0.000 0.623 439 A CB -1.057 17.545 19.000 -0.663 0.000 0.818 439 A HN 0.274 nan 8.150 nan 0.000 0.443 440 V N -0.134 119.498 119.914 -0.469 0.000 2.407 440 V HA -0.240 3.880 4.120 0.001 0.000 0.248 440 V C 2.486 178.431 176.094 -0.249 0.000 1.055 440 V CA 1.854 63.906 62.300 -0.414 0.000 1.049 440 V CB -0.730 30.783 31.823 -0.516 0.000 0.662 440 V HN 0.632 nan 8.190 nan 0.000 0.455 441 L N -0.901 120.270 121.223 -0.086 0.000 2.083 441 L HA -0.208 4.133 4.340 0.001 0.000 0.209 441 L C 2.282 179.218 176.870 0.110 0.000 1.083 441 L CA 1.958 56.801 54.840 0.004 0.000 0.752 441 L CB -0.306 41.871 42.059 0.197 0.000 0.899 441 L HN 0.397 nan 8.230 nan 0.000 0.433 442 F N 0.172 120.132 119.950 0.016 0.000 2.113 442 F HA -0.284 4.244 4.527 0.001 0.000 0.297 442 F C 2.658 178.606 175.800 0.247 0.000 1.103 442 F CA 1.958 60.100 58.000 0.237 0.000 1.248 442 F CB -0.235 38.890 39.000 0.210 0.000 0.999 442 F HN 0.143 nan 8.300 nan 0.000 0.475 443 Q N -0.116 119.682 119.800 -0.002 0.000 2.112 443 Q HA -0.237 4.104 4.340 0.001 0.000 0.206 443 Q C 1.931 177.854 176.000 -0.129 0.000 0.987 443 Q CA 1.930 57.715 55.803 -0.029 0.000 0.858 443 Q CB -0.110 28.608 28.738 -0.032 0.000 0.905 443 Q HN 0.373 nan 8.270 nan 0.000 0.420 444 M N -0.099 119.420 119.600 -0.135 0.000 2.619 444 M HA -0.025 4.456 4.480 0.001 0.000 0.251 444 M C 1.552 177.812 176.300 -0.066 0.000 1.106 444 M CA 1.279 56.496 55.300 -0.138 0.000 1.086 444 M CB -0.311 32.157 32.600 -0.219 0.000 1.465 444 M HN 0.349 nan 8.290 nan 0.000 0.506 445 T N -4.808 109.756 114.554 0.017 0.000 2.975 445 T HA 0.105 4.456 4.350 0.001 0.000 0.261 445 T C 0.349 175.198 174.700 0.249 0.000 0.984 445 T CA -0.368 61.821 62.100 0.148 0.000 0.911 445 T CB -0.050 68.974 68.868 0.260 0.000 1.127 445 T HN 0.106 nan 8.240 nan 0.000 0.514 446 Y N 2.083 122.296 120.300 -0.145 0.000 2.281 446 Y HA 0.548 5.099 4.550 0.001 0.000 0.337 446 Y C 0.206 175.988 175.900 -0.197 0.000 1.304 446 Y CA -2.326 55.565 58.100 -0.348 0.000 1.465 446 Y CB 0.523 38.457 38.460 -0.876 0.000 1.350 446 Y HN 0.163 nan 8.280 nan 0.000 0.575 447 L N 3.763 124.291 121.223 -1.159 0.000 2.477 447 L HA 0.452 4.793 4.340 0.001 0.000 0.272 447 L C 0.203 176.795 176.870 -0.463 0.000 1.157 447 L CA 1.424 55.826 54.840 -0.731 0.000 0.889 447 L CB -0.655 40.926 42.059 -0.795 0.000 1.158 447 L HN 0.842 nan 8.230 nan 0.000 0.473 448 G N 2.722 111.360 108.800 -0.270 0.000 2.347 448 G HA2 0.021 3.982 3.960 0.001 0.000 0.341 448 G HA3 0.021 3.982 3.960 0.001 0.000 0.341 448 G C -0.894 173.901 174.900 -0.175 0.000 1.287 448 G CA -0.490 44.493 45.100 -0.194 0.000 0.984 448 G HN 0.614 nan 8.290 nan 0.000 0.526 449 T N 3.102 117.567 114.554 -0.150 0.000 2.756 449 T HA 0.620 4.971 4.350 0.001 0.000 0.290 449 T C -2.571 171.953 174.700 -0.293 0.000 0.985 449 T CA -0.752 61.244 62.100 -0.172 0.000 0.955 449 T CB 1.759 70.576 68.868 -0.085 0.000 0.930 449 T HN 0.400 nan 8.240 nan 0.000 0.451 450 P HA 0.262 nan 4.420 nan 0.000 0.271 450 P C -0.922 176.184 177.300 -0.324 0.000 1.220 450 P CA -0.645 62.288 63.100 -0.278 0.000 0.768 450 P CB 0.456 32.048 31.700 -0.181 0.000 0.848 451 L N 5.483 126.514 121.223 -0.320 0.000 2.325 451 L HA 0.490 4.831 4.340 0.001 0.000 0.281 451 L C -1.021 175.763 176.870 -0.144 0.000 1.004 451 L CA -0.406 54.245 54.840 -0.316 0.000 0.823 451 L CB 0.650 42.501 42.059 -0.346 0.000 1.236 451 L HN 0.237 nan 8.230 nan 0.000 0.415 452 I N 5.184 125.696 120.570 -0.097 0.000 2.336 452 I HA 0.212 4.383 4.170 0.001 0.000 0.292 452 I C -1.033 174.993 176.117 -0.152 0.000 0.991 452 I CA -0.792 60.486 61.300 -0.038 0.000 1.227 452 I CB 1.142 39.174 38.000 0.054 0.000 1.366 452 I HN 0.536 nan 8.210 nan 0.000 0.466 453 Y N 8.421 128.601 120.300 -0.200 0.000 2.365 453 Y HA 0.182 4.732 4.550 0.001 0.000 0.340 453 Y C 0.030 175.705 175.900 -0.376 0.000 1.016 453 Y CA -1.379 56.586 58.100 -0.225 0.000 1.196 453 Y CB 0.184 38.583 38.460 -0.102 0.000 1.167 453 Y HN 0.463 nan 8.280 nan 0.000 0.509 454 Y N 4.763 124.543 120.300 -0.867 0.000 3.032 454 Y HA 0.238 4.789 4.550 0.001 0.000 0.344 454 Y C 1.085 176.757 175.900 -0.380 0.000 1.273 454 Y CA 0.374 58.075 58.100 -0.664 0.000 1.588 454 Y CB -0.109 38.138 38.460 -0.355 0.000 1.209 454 Y HN 0.950 nan 8.280 nan 0.000 0.597 455 G N 2.838 111.542 108.800 -0.161 0.000 2.284 455 G HA2 -0.369 3.592 3.960 0.001 0.000 0.230 455 G HA3 -0.369 3.592 3.960 0.001 0.000 0.230 455 G C 0.779 175.568 174.900 -0.185 0.000 1.021 455 G CA 0.357 45.305 45.100 -0.254 0.000 0.619 455 G HN 0.624 nan 8.290 nan 0.000 0.510 456 D N 1.325 121.634 120.400 -0.152 0.000 2.149 456 D HA -0.043 4.598 4.640 0.001 0.000 0.198 456 D C 2.470 178.800 176.300 0.051 0.000 0.990 456 D CA 1.470 55.502 54.000 0.054 0.000 0.839 456 D CB -0.138 40.833 40.800 0.285 0.000 0.948 456 D HN 0.730 nan 8.370 nan 0.000 0.460 457 E N 1.042 121.135 120.200 -0.178 0.000 2.338 457 E HA -0.154 4.196 4.350 0.001 0.000 0.197 457 E C 1.316 177.946 176.600 0.051 0.000 1.007 457 E CA 0.684 56.813 56.400 -0.451 0.000 0.849 457 E CB -0.283 29.082 29.700 -0.559 0.000 0.774 457 E HN 0.434 nan 8.360 nan 0.000 0.506 458 I N -3.512 117.089 120.570 0.052 0.000 3.856 458 I HA 0.591 4.762 4.170 0.001 0.000 0.330 458 I C 1.032 177.130 176.117 -0.032 0.000 1.546 458 I CA -0.212 61.119 61.300 0.053 0.000 1.132 458 I CB 0.843 38.838 38.000 -0.008 0.000 1.157 458 I HN 0.025 nan 8.210 nan 0.000 0.440 459 G N 0.879 109.635 108.800 -0.075 0.000 2.132 459 G HA2 -0.251 3.709 3.960 0.001 0.000 0.234 459 G HA3 -0.251 3.709 3.960 0.001 0.000 0.234 459 G C 0.206 174.996 174.900 -0.184 0.000 0.989 459 G CA 0.100 45.101 45.100 -0.165 0.000 0.676 459 G HN 0.390 nan 8.290 nan 0.000 0.522 460 M N 0.471 119.966 119.600 -0.176 0.000 2.248 460 M HA 0.492 4.972 4.480 0.001 0.000 0.337 460 M C 0.772 176.979 176.300 -0.156 0.000 1.121 460 M CA 1.065 56.258 55.300 -0.177 0.000 1.155 460 M CB 0.994 33.457 32.600 -0.229 0.000 1.514 460 M HN 0.604 nan 8.290 nan 0.000 0.452 461 A N 1.369 124.110 122.820 -0.130 0.000 2.437 461 A HA 1.039 5.360 4.320 0.001 0.000 0.288 461 A C -0.347 177.192 177.584 -0.074 0.000 1.201 461 A CA -0.198 51.782 52.037 -0.095 0.000 0.795 461 A CB 1.838 20.779 19.000 -0.099 0.000 1.359 461 A HN 0.962 nan 8.150 nan 0.000 0.435 462 G N -2.089 106.682 108.800 -0.049 0.000 2.352 462 G HA2 0.618 4.579 3.960 0.001 0.000 0.303 462 G HA3 0.618 4.579 3.960 0.001 0.000 0.303 462 G C -0.365 174.523 174.900 -0.020 0.000 1.593 462 G CA 0.180 45.255 45.100 -0.040 0.000 0.963 462 G HN 1.875 nan 8.290 nan 0.000 0.685 463 A N 0.377 123.182 122.820 -0.024 0.000 2.260 463 A HA 0.874 5.195 4.320 0.001 0.000 0.278 463 A C 1.227 178.809 177.584 -0.003 0.000 1.269 463 A CA 0.872 52.900 52.037 -0.015 0.000 0.824 463 A CB 0.210 19.197 19.000 -0.021 0.000 1.238 463 A HN 1.844 nan 8.150 nan 0.000 0.507 464 T N -0.839 113.718 114.554 0.004 0.000 2.766 464 T HA 0.257 4.607 4.350 0.001 0.000 0.295 464 T C 0.184 174.890 174.700 0.010 0.000 1.024 464 T CA 0.168 62.277 62.100 0.016 0.000 1.018 464 T CB 0.032 68.917 68.868 0.029 0.000 1.002 464 T HN 0.726 nan 8.240 nan 0.000 0.532 465 D N 1.805 122.220 120.400 0.026 0.000 2.752 465 D HA -0.040 4.601 4.640 0.001 0.000 0.225 465 D C -1.222 175.085 176.300 0.013 0.000 1.104 465 D CA -0.964 53.064 54.000 0.047 0.000 0.832 465 D CB 0.844 41.700 40.800 0.093 0.000 1.161 465 D HN 0.306 nan 8.370 nan 0.000 0.505 466 P HA 0.025 nan 4.420 nan 0.000 0.255 466 P C 0.532 177.795 177.300 -0.062 0.000 1.248 466 P CA 0.077 63.134 63.100 -0.071 0.000 0.807 466 P CB 0.442 32.028 31.700 -0.190 0.000 1.150 467 D N 0.468 120.828 120.400 -0.067 0.000 2.310 467 D HA -0.116 4.524 4.640 0.001 0.000 0.212 467 D C 1.536 177.814 176.300 -0.038 0.000 0.965 467 D CA 0.755 54.721 54.000 -0.057 0.000 0.879 467 D CB -0.508 40.260 40.800 -0.053 0.000 0.921 467 D HN 0.216 nan 8.370 nan 0.000 0.510 468 C N -0.842 118.455 119.300 -0.004 0.000 2.576 468 C HA 0.326 4.787 4.460 0.001 0.000 0.267 468 C C 1.299 176.338 174.990 0.082 0.000 1.364 468 C CA -0.649 58.398 59.018 0.050 0.000 1.723 468 C CB -1.216 26.566 27.740 0.069 0.000 1.778 468 C HN 0.023 nan 8.230 nan 0.000 0.572 469 R N 0.944 121.450 120.500 0.009 0.000 3.311 469 R HA 0.289 4.630 4.340 0.001 0.000 0.332 469 R C -0.051 176.230 176.300 -0.031 0.000 1.317 469 R CA -0.172 55.932 56.100 0.007 0.000 1.192 469 R CB -0.015 30.206 30.300 -0.132 0.000 1.454 469 R HN 0.565 nan 8.270 nan 0.000 0.605 470 R N 2.001 122.437 120.500 -0.107 0.000 2.539 470 R HA 0.152 4.493 4.340 0.001 0.000 0.275 470 R C -2.083 173.993 176.300 -0.373 0.000 1.077 470 R CA -1.651 54.269 56.100 -0.300 0.000 1.097 470 R CB 0.235 30.380 30.300 -0.258 0.000 1.018 470 R HN 0.039 nan 8.270 nan 0.000 0.483 471 P HA -0.098 nan 4.420 nan 0.000 0.265 471 P C -0.369 176.618 177.300 -0.522 0.000 1.193 471 P CA -0.132 62.294 63.100 -1.124 0.000 0.765 471 P CB 0.561 30.963 31.700 -2.163 0.000 0.823 472 M N 4.127 123.664 119.600 -0.104 0.000 2.246 472 M HA 0.031 4.512 4.480 0.001 0.000 0.327 472 M C -0.376 175.792 176.300 -0.219 0.000 1.090 472 M CA 0.722 55.962 55.300 -0.101 0.000 1.087 472 M CB -0.552 31.892 32.600 -0.259 0.000 1.587 472 M HN 0.218 nan 8.290 nan 0.000 0.444 473 I N 5.356 125.674 120.570 -0.420 0.000 2.297 473 I HA 0.094 4.264 4.170 0.001 0.000 0.291 473 I C -0.453 175.377 176.117 -0.479 0.000 1.033 473 I CA 0.100 61.227 61.300 -0.288 0.000 1.253 473 I CB 0.629 38.507 38.000 -0.203 0.000 1.396 473 I HN 0.909 nan 8.210 nan 0.000 0.476 474 W N 3.102 124.371 121.300 -0.051 0.000 2.915 474 W HA 0.163 4.823 4.660 0.001 0.000 0.276 474 W C 0.643 177.073 176.519 -0.148 0.000 1.215 474 W CA -0.318 56.919 57.345 -0.180 0.000 1.514 474 W CB 0.517 29.831 29.460 -0.243 0.000 1.017 474 W HN 0.348 nan 8.180 nan 0.000 0.598 475 E N 2.118 122.381 120.200 0.105 0.000 2.292 475 E HA -0.084 4.266 4.350 0.001 0.000 0.265 475 E C 0.881 177.487 176.600 0.010 0.000 1.093 475 E CA 0.086 56.515 56.400 0.048 0.000 0.922 475 E CB 0.911 30.635 29.700 0.041 0.000 1.001 475 E HN 0.304 nan 8.360 nan 0.000 0.444 476 E N 3.090 123.292 120.200 0.004 0.000 2.147 476 E HA -0.276 4.075 4.350 0.001 0.000 0.199 476 E C 1.012 177.607 176.600 -0.009 0.000 1.005 476 E CA 1.432 57.825 56.400 -0.012 0.000 0.810 476 E CB 0.264 29.960 29.700 -0.007 0.000 0.736 476 E HN 0.150 nan 8.360 nan 0.000 0.460 477 K N 0.569 120.967 120.400 -0.002 0.000 2.283 477 K HA -0.092 4.229 4.320 0.001 0.000 0.202 477 K C 1.271 177.866 176.600 -0.007 0.000 1.048 477 K CA 1.044 57.331 56.287 -0.001 0.000 0.948 477 K CB 0.066 32.567 32.500 0.002 0.000 0.742 477 K HN 0.303 nan 8.250 nan 0.000 0.458 478 E N -0.127 120.065 120.200 -0.013 0.000 2.481 478 E HA 0.039 4.390 4.350 0.001 0.000 0.198 478 E C -0.206 176.369 176.600 -0.042 0.000 1.027 478 E CA -0.063 56.322 56.400 -0.024 0.000 0.900 478 E CB 0.416 30.103 29.700 -0.021 0.000 0.993 478 E HN 0.307 nan 8.360 nan 0.000 0.482 479 Q N 1.187 120.962 119.800 -0.040 0.000 2.222 479 Q HA 0.205 4.546 4.340 0.001 0.000 0.252 479 Q C -0.224 175.768 176.000 -0.014 0.000 0.926 479 Q CA -0.573 55.200 55.803 -0.049 0.000 0.899 479 Q CB 1.004 29.698 28.738 -0.073 0.000 1.250 479 Q HN -0.079 nan 8.270 nan 0.000 0.441 480 N N 2.188 120.890 118.700 0.003 0.000 2.663 480 N HA 0.021 4.762 4.740 0.001 0.000 0.250 480 N C 0.283 175.861 175.510 0.114 0.000 1.129 480 N CA 0.034 53.109 53.050 0.042 0.000 0.995 480 N CB 0.370 38.874 38.487 0.029 0.000 1.324 480 N HN 0.444 nan 8.380 nan 0.000 0.512 481 R N 1.662 122.226 120.500 0.106 0.000 2.189 481 R HA -0.012 4.329 4.340 0.001 0.000 0.223 481 R C 1.694 178.140 176.300 0.243 0.000 1.092 481 R CA 0.821 57.027 56.100 0.177 0.000 0.989 481 R CB -0.734 29.636 30.300 0.115 0.000 0.876 481 R HN 0.521 nan 8.270 nan 0.000 0.457 482 G N 1.135 110.039 108.800 0.173 0.000 2.402 482 G HA2 -0.193 3.768 3.960 0.001 0.000 0.216 482 G HA3 -0.193 3.768 3.960 0.001 0.000 0.216 482 G C 1.524 176.568 174.900 0.240 0.000 1.162 482 G CA 0.012 45.213 45.100 0.168 0.000 0.777 482 G HN 0.193 nan 8.290 nan 0.000 0.539 483 L N -0.631 120.750 121.223 0.263 0.000 2.017 483 L HA 0.017 4.358 4.340 0.001 0.000 0.208 483 L C 2.581 179.771 176.870 0.533 0.000 1.073 483 L CA 1.469 56.548 54.840 0.397 0.000 0.745 483 L CB -0.360 41.907 42.059 0.347 0.000 0.894 483 L HN 0.311 nan 8.230 nan 0.000 0.432 484 F N 0.998 121.104 119.950 0.259 0.000 2.091 484 F HA -0.306 4.221 4.527 0.001 0.000 0.299 484 F C 2.544 178.472 175.800 0.213 0.000 1.103 484 F CA 1.780 59.899 58.000 0.199 0.000 1.228 484 F CB 0.011 39.091 39.000 0.134 0.000 0.984 484 F HN 0.120 nan 8.300 nan 0.000 0.477 485 E N -0.103 120.254 120.200 0.262 0.000 2.150 485 E HA -0.226 4.125 4.350 0.001 0.000 0.193 485 E C 2.066 178.747 176.600 0.135 0.000 0.985 485 E CA 1.150 57.624 56.400 0.123 0.000 0.814 485 E CB -0.801 29.009 29.700 0.184 0.000 0.752 485 E HN 0.590 nan 8.360 nan 0.000 0.466 486 F N 0.174 120.171 119.950 0.078 0.000 2.084 486 F HA -0.277 4.250 4.527 0.001 0.000 0.296 486 F C 2.159 177.958 175.800 -0.001 0.000 1.111 486 F CA 1.214 59.241 58.000 0.045 0.000 1.224 486 F CB -0.212 38.837 39.000 0.082 0.000 0.991 486 F HN -0.045 nan 8.300 nan 0.000 0.471 487 Y N 1.167 121.410 120.300 -0.095 0.000 2.114 487 Y HA -0.289 4.261 4.550 0.001 0.000 0.282 487 Y C 2.422 178.116 175.900 -0.343 0.000 1.165 487 Y CA 2.186 60.136 58.100 -0.250 0.000 1.148 487 Y CB -0.546 37.832 38.460 -0.137 0.000 0.972 487 Y HN 0.001 nan 8.280 nan 0.000 0.504 488 K N -0.171 120.103 120.400 -0.209 0.000 2.032 488 K HA -0.273 4.047 4.320 0.001 0.000 0.209 488 K C 2.102 178.561 176.600 -0.236 0.000 1.048 488 K CA 1.892 58.008 56.287 -0.286 0.000 0.927 488 K CB -0.263 32.035 32.500 -0.337 0.000 0.712 488 K HN 0.385 nan 8.250 nan 0.000 0.441 489 E N 1.043 121.124 120.200 -0.199 0.000 2.077 489 E HA -0.172 4.179 4.350 0.001 0.000 0.193 489 E C 2.024 178.473 176.600 -0.252 0.000 0.989 489 E CA 0.831 57.122 56.400 -0.182 0.000 0.800 489 E CB 0.037 29.673 29.700 -0.107 0.000 0.746 489 E HN 0.216 nan 8.360 nan 0.000 0.452 490 L N 0.585 121.586 121.223 -0.370 0.000 2.046 490 L HA -0.183 4.157 4.340 0.001 0.000 0.208 490 L C 2.524 179.206 176.870 -0.314 0.000 1.077 490 L CA 0.880 55.491 54.840 -0.381 0.000 0.747 490 L CB -0.325 41.398 42.059 -0.560 0.000 0.896 490 L HN 0.251 nan 8.230 nan 0.000 0.432 491 I N -0.636 119.735 120.570 -0.331 0.000 2.252 491 I HA -0.268 3.903 4.170 0.001 0.000 0.245 491 I C 2.782 178.556 176.117 -0.571 0.000 1.102 491 I CA 1.164 62.218 61.300 -0.410 0.000 1.385 491 I CB -0.289 37.497 38.000 -0.356 0.000 1.064 491 I HN 0.203 nan 8.210 nan 0.000 0.414 492 R N 0.579 120.840 120.500 -0.398 0.000 2.073 492 R HA -0.134 4.207 4.340 0.001 0.000 0.234 492 R C 2.360 178.527 176.300 -0.222 0.000 1.134 492 R CA 1.279 57.196 56.100 -0.305 0.000 0.952 492 R CB -0.476 29.710 30.300 -0.189 0.000 0.850 492 R HN 0.343 nan 8.270 nan 0.000 0.433 493 L N 0.208 121.308 121.223 -0.204 0.000 2.012 493 L HA -0.220 4.121 4.340 0.001 0.000 0.210 493 L C 2.830 179.621 176.870 -0.133 0.000 1.073 493 L CA 1.446 56.188 54.840 -0.162 0.000 0.748 493 L CB -0.436 41.535 42.059 -0.146 0.000 0.891 493 L HN 0.213 nan 8.230 nan 0.000 0.431 494 R N -0.908 119.508 120.500 -0.140 0.000 2.105 494 R HA -0.197 4.144 4.340 0.001 0.000 0.239 494 R C 2.335 178.676 176.300 0.068 0.000 1.135 494 R CA 1.487 57.555 56.100 -0.053 0.000 0.967 494 R CB -0.130 30.133 30.300 -0.062 0.000 0.861 494 R HN 0.407 nan 8.270 nan 0.000 0.442 495 H N -0.386 118.626 119.070 -0.096 0.000 2.462 495 H HA 0.026 4.583 4.556 0.001 0.000 0.292 495 H C 1.862 177.131 175.328 -0.098 0.000 1.049 495 H CA 1.106 57.103 56.048 -0.084 0.000 1.334 495 H CB 0.074 29.790 29.762 -0.077 0.000 1.404 495 H HN 0.217 nan 8.280 nan 0.000 0.544 496 R N -0.173 120.322 120.500 -0.007 0.000 2.173 496 R HA 0.172 4.512 4.340 0.001 0.000 0.208 496 R C 0.116 176.320 176.300 -0.160 0.000 1.035 496 R CA 0.217 56.257 56.100 -0.100 0.000 1.004 496 R CB 0.368 30.572 30.300 -0.161 0.000 0.917 496 R HN 0.101 nan 8.270 nan 0.000 0.462 497 L N 1.003 122.137 121.223 -0.148 0.000 2.272 497 L HA 0.310 4.650 4.340 0.001 0.000 0.284 497 L C 1.147 177.976 176.870 -0.069 0.000 1.045 497 L CA -0.564 54.181 54.840 -0.157 0.000 0.842 497 L CB 1.545 43.508 42.059 -0.161 0.000 1.224 497 L HN 0.105 nan 8.230 nan 0.000 0.430 498 A N 2.180 124.968 122.820 -0.053 0.000 1.948 498 A HA -0.226 4.095 4.320 0.001 0.000 0.220 498 A C 2.371 179.941 177.584 -0.023 0.000 1.177 498 A CA 2.255 54.274 52.037 -0.031 0.000 0.636 498 A CB -0.418 18.570 19.000 -0.020 0.000 0.815 498 A HN 0.810 nan 8.150 nan 0.000 0.449 499 S N -0.039 115.656 115.700 -0.008 0.000 2.419 499 S HA -0.059 4.412 4.470 0.001 0.000 0.233 499 S C 1.733 176.330 174.600 -0.005 0.000 1.016 499 S CA 1.352 59.548 58.200 -0.007 0.000 0.974 499 S CB -0.679 62.532 63.200 0.018 0.000 0.786 499 S HN 0.490 nan 8.310 nan 0.000 0.492 500 L N 1.704 122.926 121.223 -0.001 0.000 2.291 500 L HA -0.016 4.324 4.340 0.001 0.000 0.214 500 L C 2.804 179.656 176.870 -0.028 0.000 1.120 500 L CA 1.482 56.324 54.840 0.002 0.000 0.799 500 L CB -0.935 41.125 42.059 0.001 0.000 0.925 500 L HN 0.659 nan 8.230 nan 0.000 0.446 501 T N -4.456 110.077 114.554 -0.036 0.000 3.026 501 T HA 0.075 4.426 4.350 0.001 0.000 0.245 501 T C 1.837 176.496 174.700 -0.068 0.000 1.004 501 T CA -0.247 61.822 62.100 -0.051 0.000 1.069 501 T CB 0.135 68.980 68.868 -0.038 0.000 1.005 501 T HN 0.181 nan 8.240 nan 0.000 0.472 502 R N 1.155 121.620 120.500 -0.058 0.000 2.365 502 R HA 0.380 4.721 4.340 0.001 0.000 0.223 502 R C 1.274 177.534 176.300 -0.066 0.000 0.899 502 R CA 0.004 56.065 56.100 -0.065 0.000 1.059 502 R CB 0.530 30.798 30.300 -0.053 0.000 1.086 502 R HN 0.424 nan 8.270 nan 0.000 0.522 503 G N 1.465 110.229 108.800 -0.060 0.000 2.599 503 G HA2 0.057 4.018 3.960 0.001 0.000 0.264 503 G HA3 0.057 4.018 3.960 0.001 0.000 0.264 503 G C -0.166 174.690 174.900 -0.073 0.000 1.200 503 G CA -0.622 44.441 45.100 -0.062 0.000 0.896 503 G HN 0.352 nan 8.290 nan 0.000 0.536 504 N N -2.446 116.214 118.700 -0.067 0.000 2.431 504 N HA 0.504 5.245 4.740 0.001 0.000 0.289 504 N C -1.042 174.440 175.510 -0.047 0.000 1.277 504 N CA -0.815 52.194 53.050 -0.067 0.000 0.972 504 N CB 1.715 40.172 38.487 -0.050 0.000 1.143 504 N HN 0.478 nan 8.380 nan 0.000 0.578 505 V N -0.491 119.399 119.914 -0.041 0.000 2.841 505 V HA 0.571 4.692 4.120 0.001 0.000 0.310 505 V C -1.493 174.643 176.094 0.070 0.000 1.090 505 V CA -0.665 61.650 62.300 0.026 0.000 0.930 505 V CB 1.775 33.539 31.823 -0.098 0.000 1.014 505 V HN 0.754 nan 8.190 nan 0.000 0.425 506 R N 3.325 123.919 120.500 0.156 0.000 2.651 506 R HA 0.501 4.842 4.340 0.001 0.000 0.278 506 R C -0.655 175.790 176.300 0.243 0.000 1.010 506 R CA -0.641 55.551 56.100 0.153 0.000 0.896 506 R CB 2.106 32.470 30.300 0.107 0.000 1.211 506 R HN 0.756 nan 8.270 nan 0.000 0.456 507 S N 1.410 117.247 115.700 0.228 0.000 2.560 507 S HA 0.023 4.494 4.470 0.001 0.000 0.284 507 S C 0.233 175.014 174.600 0.301 0.000 1.327 507 S CA -0.192 58.167 58.200 0.266 0.000 1.055 507 S CB 0.620 63.951 63.200 0.219 0.000 0.868 507 S HN 0.630 nan 8.310 nan 0.000 0.506 508 W N 2.778 124.112 121.300 0.056 0.000 3.227 508 W HA 0.314 4.974 4.660 0.001 0.000 0.246 508 W C 0.357 176.931 176.519 0.092 0.000 1.007 508 W CA 0.740 58.108 57.345 0.038 0.000 1.925 508 W CB -0.276 29.168 29.460 -0.026 0.000 1.062 508 W HN 0.748 nan 8.180 nan 0.000 0.649 509 H N -0.297 118.756 119.070 -0.028 0.000 3.038 509 H HA 0.560 5.117 4.556 0.001 0.000 0.362 509 H C -1.549 173.734 175.328 -0.076 0.000 1.167 509 H CA -0.239 55.721 56.048 -0.147 0.000 1.197 509 H CB 1.598 31.110 29.762 -0.416 0.000 1.840 509 H HN 0.056 nan 8.280 nan 0.000 0.540 510 A N 3.911 126.387 122.820 -0.573 0.000 2.429 510 A HA 0.471 4.791 4.320 0.001 0.000 0.289 510 A C -1.732 175.594 177.584 -0.431 0.000 1.043 510 A CA -0.562 51.314 52.037 -0.268 0.000 0.722 510 A CB 1.085 20.123 19.000 0.064 0.000 1.243 510 A HN 0.644 nan 8.150 nan 0.000 0.415 511 D N 2.484 122.704 120.400 -0.300 0.000 2.542 511 D HA 0.240 4.881 4.640 0.001 0.000 0.252 511 D C 0.979 177.223 176.300 -0.093 0.000 1.222 511 D CA -0.447 53.436 54.000 -0.195 0.000 0.895 511 D CB 1.409 42.136 40.800 -0.122 0.000 1.207 511 D HN 0.549 nan 8.370 nan 0.000 0.558 512 K N 3.029 123.336 120.400 -0.155 0.000 2.063 512 K HA -0.274 4.046 4.320 0.001 0.000 0.208 512 K C 1.604 178.137 176.600 -0.111 0.000 1.048 512 K CA 1.248 57.409 56.287 -0.210 0.000 0.928 512 K CB -0.032 32.090 32.500 -0.630 0.000 0.713 512 K HN 0.460 nan 8.250 nan 0.000 0.442 513 Q N 0.934 120.672 119.800 -0.104 0.000 2.014 513 Q HA -0.190 4.151 4.340 0.001 0.000 0.207 513 Q C 2.017 177.992 176.000 -0.042 0.000 0.993 513 Q CA 2.160 57.924 55.803 -0.065 0.000 0.850 513 Q CB -0.311 28.395 28.738 -0.053 0.000 0.916 513 Q HN 0.509 nan 8.270 nan 0.000 0.417 514 A N 0.165 122.967 122.820 -0.029 0.000 2.218 514 A HA -0.015 4.306 4.320 0.001 0.000 0.209 514 A C 0.686 178.263 177.584 -0.012 0.000 1.168 514 A CA 0.526 52.549 52.037 -0.023 0.000 0.804 514 A CB -0.444 18.550 19.000 -0.009 0.000 0.834 514 A HN 0.767 nan 8.150 nan 0.000 0.482 515 N N -1.498 117.210 118.700 0.014 0.000 2.727 515 N HA -0.181 4.560 4.740 0.001 0.000 0.249 515 N C -0.566 175.026 175.510 0.137 0.000 1.048 515 N CA 0.337 53.438 53.050 0.084 0.000 0.714 515 N CB -0.933 37.568 38.487 0.022 0.000 0.959 515 N HN 0.445 nan 8.380 nan 0.000 0.544 516 L N 1.726 123.013 121.223 0.106 0.000 2.289 516 L HA 0.474 4.815 4.340 0.001 0.000 0.285 516 L C -0.734 176.246 176.870 0.182 0.000 1.049 516 L CA -0.523 54.395 54.840 0.131 0.000 0.804 516 L CB 0.928 43.032 42.059 0.075 0.000 1.195 516 L HN 0.180 nan 8.230 nan 0.000 0.428 517 Y N 4.775 125.153 120.300 0.129 0.000 2.391 517 Y HA 0.781 5.332 4.550 0.001 0.000 0.341 517 Y C -0.801 175.231 175.900 0.220 0.000 0.965 517 Y CA -0.567 57.612 58.100 0.132 0.000 1.067 517 Y CB 1.671 40.199 38.460 0.115 0.000 1.199 517 Y HN 0.775 nan 8.280 nan 0.000 0.450 518 A N 6.038 128.510 122.820 -0.580 0.000 2.486 518 A HA 0.792 5.113 4.320 0.001 0.000 0.300 518 A C -1.923 175.566 177.584 -0.159 0.000 1.048 518 A CA -0.544 51.307 52.037 -0.310 0.000 0.696 518 A CB 0.885 19.703 19.000 -0.303 0.000 1.278 518 A HN 0.837 nan 8.150 nan 0.000 0.405 519 F N -0.358 119.627 119.950 0.058 0.000 2.664 519 F HA 0.876 5.403 4.527 0.001 0.000 0.317 519 F C -1.132 174.814 175.800 0.243 0.000 1.108 519 F CA -1.396 56.710 58.000 0.176 0.000 0.957 519 F CB 1.284 40.412 39.000 0.214 0.000 1.365 519 F HN 0.366 nan 8.300 nan 0.000 0.475 520 V N 1.949 122.034 119.914 0.286 0.000 2.656 520 V HA 0.620 4.741 4.120 0.001 0.000 0.307 520 V C -0.688 175.515 176.094 0.181 0.000 1.051 520 V CA -0.854 61.495 62.300 0.081 0.000 0.893 520 V CB 1.893 33.656 31.823 -0.100 0.000 0.999 520 V HN 0.706 nan 8.190 nan 0.000 0.426 521 R N 2.107 122.687 120.500 0.135 0.000 2.393 521 R HA 0.766 5.107 4.340 0.001 0.000 0.310 521 R C -0.667 175.625 176.300 -0.015 0.000 0.968 521 R CA -0.433 55.724 56.100 0.095 0.000 0.867 521 R CB 1.784 32.155 30.300 0.118 0.000 1.124 521 R HN 0.756 nan 8.270 nan 0.000 0.450 522 T N 0.930 115.429 114.554 -0.091 0.000 2.916 522 T HA 0.427 4.778 4.350 0.001 0.000 0.298 522 T C -1.190 173.407 174.700 -0.171 0.000 1.031 522 T CA -0.611 61.340 62.100 -0.248 0.000 0.993 522 T CB 2.169 70.790 68.868 -0.411 0.000 1.045 522 T HN 0.267 nan 8.240 nan 0.000 0.454 523 V N 4.705 124.520 119.914 -0.165 0.000 2.655 523 V HA 0.442 4.562 4.120 0.001 0.000 0.301 523 V C -0.448 175.602 176.094 -0.074 0.000 1.082 523 V CA -0.216 62.029 62.300 -0.092 0.000 0.899 523 V CB 1.340 33.131 31.823 -0.053 0.000 1.014 523 V HN 0.940 nan 8.190 nan 0.000 0.429 524 Q N 3.769 123.538 119.800 -0.053 0.000 1.675 524 Q HA -0.238 4.103 4.340 0.001 0.000 0.365 524 Q C 0.375 176.374 176.000 -0.002 0.000 0.856 524 Q CA 2.175 57.966 55.803 -0.019 0.000 0.832 524 Q CB -0.960 27.776 28.738 -0.002 0.000 3.604 524 Q HN 0.931 nan 8.270 nan 0.000 0.678 525 D N 1.264 121.685 120.400 0.034 0.000 2.339 525 D HA 0.050 4.690 4.640 0.001 0.000 0.217 525 D C 0.459 176.848 176.300 0.149 0.000 1.050 525 D CA 0.368 54.423 54.000 0.093 0.000 0.856 525 D CB 0.141 40.965 40.800 0.040 0.000 0.922 525 D HN 0.217 nan 8.370 nan 0.000 0.518 526 Q N 0.695 120.543 119.800 0.079 0.000 2.279 526 Q HA 0.190 4.531 4.340 0.001 0.000 0.256 526 Q C -1.084 174.940 176.000 0.040 0.000 0.937 526 Q CA -0.312 55.568 55.803 0.127 0.000 0.933 526 Q CB 0.520 29.354 28.738 0.161 0.000 1.189 526 Q HN 0.064 nan 8.270 nan 0.000 0.417 527 H N 1.547 120.626 119.070 0.015 0.000 2.609 527 H HA 0.482 5.039 4.556 0.001 0.000 0.344 527 H C -1.239 174.218 175.328 0.215 0.000 1.040 527 H CA -0.508 55.590 56.048 0.083 0.000 1.216 527 H CB 1.922 31.742 29.762 0.096 0.000 1.529 527 H HN 0.319 nan 8.280 nan 0.000 0.519 528 V N 2.995 123.091 119.914 0.302 0.000 2.409 528 V HA 0.511 4.632 4.120 0.001 0.000 0.290 528 V C 0.461 176.650 176.094 0.158 0.000 1.017 528 V CA -0.784 61.702 62.300 0.309 0.000 0.841 528 V CB 1.709 33.666 31.823 0.223 0.000 1.003 528 V HN 0.965 nan 8.190 nan 0.000 0.426 529 G N 3.805 112.684 108.800 0.131 0.000 2.322 529 G HA2 0.558 4.518 3.960 0.001 0.000 0.309 529 G HA3 0.558 4.518 3.960 0.001 0.000 0.309 529 G C -0.769 174.173 174.900 0.070 0.000 1.121 529 G CA -0.329 44.728 45.100 -0.071 0.000 0.886 529 G HN 0.526 nan 8.290 nan 0.000 0.447 530 V N 3.134 122.949 119.914 -0.164 0.000 2.370 530 V HA 0.359 4.480 4.120 0.001 0.000 0.283 530 V C -0.141 175.881 176.094 -0.121 0.000 1.023 530 V CA -0.639 61.509 62.300 -0.254 0.000 0.857 530 V CB 1.449 32.835 31.823 -0.728 0.000 0.985 530 V HN 0.512 nan 8.190 nan 0.000 0.443 531 V N 6.819 126.743 119.914 0.017 0.000 2.384 531 V HA 0.498 4.619 4.120 0.001 0.000 0.287 531 V C -0.281 175.879 176.094 0.110 0.000 1.020 531 V CA -0.482 61.815 62.300 -0.004 0.000 0.850 531 V CB 1.580 33.343 31.823 -0.100 0.000 0.987 531 V HN 0.654 nan 8.190 nan 0.000 0.436 532 L N 4.136 125.480 121.223 0.202 0.000 2.298 532 L HA 0.535 4.875 4.340 0.001 0.000 0.284 532 L C 0.009 177.021 176.870 0.236 0.000 1.013 532 L CA -0.515 54.510 54.840 0.308 0.000 0.824 532 L CB 1.477 43.870 42.059 0.556 0.000 1.221 532 L HN 0.562 nan 8.230 nan 0.000 0.418 533 N N 2.353 121.145 118.700 0.153 0.000 2.868 533 N HA 0.012 4.752 4.740 0.001 0.000 0.252 533 N C 0.072 175.587 175.510 0.009 0.000 1.130 533 N CA -0.118 52.964 53.050 0.054 0.000 1.026 533 N CB 0.181 38.662 38.487 -0.011 0.000 1.335 533 N HN 0.424 nan 8.380 nan 0.000 0.516 534 N N 2.382 121.108 118.700 0.043 0.000 3.243 534 N HA 0.123 4.864 4.740 0.001 0.000 0.310 534 N C -0.908 174.461 175.510 -0.235 0.000 1.313 534 N CA 0.118 53.139 53.050 -0.047 0.000 1.204 534 N CB -0.294 38.013 38.487 -0.300 0.000 1.483 534 N HN 0.477 nan 8.380 nan 0.000 0.553 535 R N -1.577 118.609 120.500 -0.523 0.000 2.707 535 R HA 0.427 4.767 4.340 0.001 0.000 0.272 535 R C 0.185 175.867 176.300 -1.030 0.000 1.011 535 R CA -0.813 54.951 56.100 -0.560 0.000 0.893 535 R CB 1.143 31.282 30.300 -0.269 0.000 1.233 535 R HN 0.215 nan 8.270 nan 0.000 0.464 536 G N 1.833 110.231 108.800 -0.671 0.000 3.474 536 G HA2 0.063 4.024 3.960 0.001 0.000 0.269 536 G HA3 0.063 4.024 3.960 0.001 0.000 0.269 536 G C -0.380 174.400 174.900 -0.201 0.000 1.339 536 G CA 0.138 44.988 45.100 -0.417 0.000 1.258 536 G HN 0.609 nan 8.290 nan 0.000 0.560 537 E N -0.734 119.327 120.200 -0.231 0.000 2.331 537 E HA 0.359 4.709 4.350 0.001 0.000 0.275 537 E C -0.913 175.618 176.600 -0.115 0.000 0.895 537 E CA -1.135 55.190 56.400 -0.125 0.000 0.753 537 E CB 1.564 31.207 29.700 -0.096 0.000 1.216 537 E HN -0.022 nan 8.360 nan 0.000 0.434 538 K N 2.170 122.527 120.400 -0.071 0.000 2.448 538 K HA 0.038 4.359 4.320 0.001 0.000 0.278 538 K C -0.713 175.854 176.600 -0.056 0.000 1.009 538 K CA 0.592 56.846 56.287 -0.055 0.000 0.995 538 K CB 0.657 33.137 32.500 -0.033 0.000 0.917 538 K HN 0.552 nan 8.250 nan 0.000 0.481 539 Q N 1.677 121.445 119.800 -0.053 0.000 2.416 539 Q HA 0.313 4.654 4.340 0.001 0.000 0.281 539 Q C -1.419 174.554 176.000 -0.045 0.000 1.067 539 Q CA -0.977 54.796 55.803 -0.050 0.000 0.809 539 Q CB 2.707 31.411 28.738 -0.058 0.000 1.418 539 Q HN 0.566 nan 8.270 nan 0.000 0.411 540 T N 1.008 115.535 114.554 -0.045 0.000 2.863 540 T HA 0.696 5.047 4.350 0.001 0.000 0.285 540 T C -0.718 173.943 174.700 -0.064 0.000 1.009 540 T CA -0.636 61.434 62.100 -0.050 0.000 0.989 540 T CB 1.366 70.210 68.868 -0.040 0.000 1.004 540 T HN 0.461 nan 8.240 nan 0.000 0.455 541 V N 0.684 120.545 119.914 -0.089 0.000 3.159 541 V HA 0.771 4.892 4.120 0.001 0.000 0.308 541 V C -1.552 174.445 176.094 -0.162 0.000 1.190 541 V CA -1.235 60.989 62.300 -0.125 0.000 1.037 541 V CB 1.897 33.631 31.823 -0.147 0.000 1.060 541 V HN 0.789 nan 8.190 nan 0.000 0.437 542 L N 2.614 123.717 121.223 -0.199 0.000 2.333 542 L HA 0.695 5.035 4.340 0.001 0.000 0.280 542 L C -0.992 175.689 176.870 -0.315 0.000 1.004 542 L CA -0.446 54.275 54.840 -0.198 0.000 0.820 542 L CB 1.786 43.767 42.059 -0.130 0.000 1.247 542 L HN 0.555 nan 8.230 nan 0.000 0.416 543 L N 3.043 124.087 121.223 -0.298 0.000 2.381 543 L HA 0.453 4.794 4.340 0.001 0.000 0.268 543 L C -0.569 176.269 176.870 -0.054 0.000 0.997 543 L CA -1.117 53.511 54.840 -0.353 0.000 0.818 543 L CB 2.071 43.707 42.059 -0.705 0.000 1.310 543 L HN 0.488 nan 8.230 nan 0.000 0.416 544 Q N 1.801 121.629 119.800 0.047 0.000 2.330 544 Q HA 0.165 4.505 4.340 0.001 0.000 0.279 544 Q C -0.188 175.939 176.000 0.212 0.000 1.024 544 Q CA -0.232 55.641 55.803 0.117 0.000 0.900 544 Q CB 1.084 29.892 28.738 0.117 0.000 1.221 544 Q HN 0.338 nan 8.270 nan 0.000 0.396 545 V N 5.244 125.207 119.914 0.082 0.000 2.584 545 V HA -0.055 4.066 4.120 0.001 0.000 0.303 545 V C -1.853 174.189 176.094 -0.087 0.000 1.035 545 V CA -0.691 61.603 62.300 -0.010 0.000 1.172 545 V CB -0.299 31.559 31.823 0.058 0.000 0.896 545 V HN 0.649 nan 8.190 nan 0.000 0.486 546 P HA -0.011 nan 4.420 nan 0.000 0.260 546 P C 0.043 177.268 177.300 -0.125 0.000 1.172 546 P CA 0.159 62.982 63.100 -0.461 0.000 0.760 546 P CB 0.266 31.559 31.700 -0.679 0.000 0.773 547 E N 3.426 123.582 120.200 -0.072 0.000 2.820 547 E HA -0.052 4.298 4.350 0.001 0.000 0.251 547 E C 0.332 176.917 176.600 -0.025 0.000 0.944 547 E CA 1.119 57.517 56.400 -0.003 0.000 0.955 547 E CB -0.303 29.421 29.700 0.040 0.000 0.904 547 E HN 0.537 nan 8.360 nan 0.000 0.513 548 S N 1.357 117.025 115.700 -0.052 0.000 3.477 548 S HA -0.272 4.199 4.470 0.001 0.000 0.357 548 S C 0.980 175.332 174.600 -0.414 0.000 1.083 548 S CA 0.701 58.833 58.200 -0.114 0.000 1.042 548 S CB -2.070 61.124 63.200 -0.010 0.000 0.911 548 S HN 0.769 nan 8.310 nan 0.000 0.490 549 G N 0.200 108.732 108.800 -0.447 0.000 2.719 549 G HA2 0.574 4.534 3.960 0.001 0.000 0.211 549 G HA3 0.574 4.534 3.960 0.001 0.000 0.211 549 G C 1.011 175.630 174.900 -0.468 0.000 1.140 549 G CA 0.543 45.200 45.100 -0.738 0.000 0.790 549 G HN 2.014 nan 8.290 nan 0.000 0.529 550 G N 0.117 108.798 108.800 -0.197 0.000 2.462 550 G HA2 0.005 3.966 3.960 0.001 0.000 0.685 550 G HA3 0.005 3.966 3.960 0.001 0.000 0.685 550 G C 0.280 175.175 174.900 -0.009 0.000 1.295 550 G CA 0.083 45.060 45.100 -0.205 0.000 0.941 550 G HN 0.676 nan 8.290 nan 0.000 0.554 551 K N -1.519 118.859 120.400 -0.036 0.000 2.358 551 K HA 0.363 4.684 4.320 0.001 0.000 0.200 551 K C 0.243 176.926 176.600 0.137 0.000 1.030 551 K CA 0.424 56.792 56.287 0.135 0.000 1.097 551 K CB 0.751 33.306 32.500 0.090 0.000 0.862 551 K HN 0.414 nan 8.250 nan 0.000 0.534 552 T N 1.662 116.122 114.554 -0.156 0.000 2.791 552 T HA 0.380 4.731 4.350 0.001 0.000 0.288 552 T C -1.570 172.858 174.700 -0.454 0.000 0.999 552 T CA -0.540 61.480 62.100 -0.133 0.000 0.952 552 T CB 0.459 69.242 68.868 -0.141 0.000 0.938 552 T HN 0.193 nan 8.240 nan 0.000 0.444 553 W N 2.443 123.660 121.300 -0.138 0.000 2.781 553 W HA 0.775 5.436 4.660 0.001 0.000 0.345 553 W C -0.890 175.577 176.519 -0.087 0.000 1.085 553 W CA -1.034 56.239 57.345 -0.120 0.000 1.198 553 W CB 1.344 30.769 29.460 -0.057 0.000 1.423 553 W HN 0.425 nan 8.180 nan 0.000 0.532 554 L N 2.560 123.906 121.223 0.206 0.000 2.409 554 L HA 0.431 4.772 4.340 0.001 0.000 0.272 554 L C -0.859 176.160 176.870 0.249 0.000 0.980 554 L CA -0.418 54.536 54.840 0.190 0.000 0.826 554 L CB 1.476 43.657 42.059 0.203 0.000 1.268 554 L HN 0.314 nan 8.230 nan 0.000 0.407 555 D N 3.589 124.097 120.400 0.179 0.000 2.352 555 D HA 0.113 4.754 4.640 0.001 0.000 0.245 555 D C 0.850 177.237 176.300 0.145 0.000 1.224 555 D CA -0.068 54.030 54.000 0.163 0.000 0.879 555 D CB 0.960 41.832 40.800 0.119 0.000 1.057 555 D HN 0.747 nan 8.370 nan 0.000 0.491 556 C N 3.533 122.923 119.300 0.151 0.000 2.422 556 C HA -0.070 4.391 4.460 0.001 0.000 0.286 556 C C 2.573 177.600 174.990 0.061 0.000 1.412 556 C CA 0.103 59.178 59.018 0.095 0.000 1.786 556 C CB -0.943 26.823 27.740 0.043 0.000 1.835 556 C HN 0.682 nan 8.230 nan 0.000 0.533 557 L N 0.706 121.974 121.223 0.076 0.000 2.341 557 L HA -0.026 4.315 4.340 0.001 0.000 0.214 557 L C 2.495 179.414 176.870 0.081 0.000 1.115 557 L CA 1.807 56.694 54.840 0.077 0.000 0.820 557 L CB -0.411 41.712 42.059 0.108 0.000 0.944 557 L HN 0.573 nan 8.230 nan 0.000 0.452 558 T N -6.395 108.207 114.554 0.080 0.000 2.966 558 T HA 0.277 4.627 4.350 0.001 0.000 0.254 558 T C 1.349 176.088 174.700 0.065 0.000 0.961 558 T CA 0.528 62.670 62.100 0.070 0.000 0.915 558 T CB 1.087 69.996 68.868 0.068 0.000 1.186 558 T HN 0.246 nan 8.240 nan 0.000 0.505 559 G N 1.733 110.578 108.800 0.074 0.000 2.157 559 G HA2 -0.247 3.714 3.960 0.001 0.000 0.248 559 G HA3 -0.247 3.714 3.960 0.001 0.000 0.248 559 G C -0.188 174.752 174.900 0.067 0.000 0.979 559 G CA 0.214 45.358 45.100 0.074 0.000 0.650 559 G HN 0.925 nan 8.290 nan 0.000 0.529 560 E N 0.753 120.992 120.200 0.065 0.000 2.324 560 E HA 0.419 4.769 4.350 0.001 0.000 0.271 560 E C 0.140 176.763 176.600 0.038 0.000 1.028 560 E CA -0.338 56.091 56.400 0.048 0.000 0.890 560 E CB 0.356 30.084 29.700 0.047 0.000 1.004 560 E HN 0.433 nan 8.360 nan 0.000 0.431 561 E N 3.220 123.418 120.200 -0.003 0.000 2.249 561 E HA 0.318 4.669 4.350 0.001 0.000 0.280 561 E C -1.408 175.081 176.600 -0.185 0.000 1.016 561 E CA -0.762 55.586 56.400 -0.087 0.000 0.830 561 E CB 1.344 30.981 29.700 -0.106 0.000 1.081 561 E HN 0.295 nan 8.360 nan 0.000 0.395 562 V N 5.044 124.833 119.914 -0.208 0.000 2.577 562 V HA 0.196 4.316 4.120 0.001 0.000 0.303 562 V C 0.171 176.145 176.094 -0.201 0.000 1.042 562 V CA -0.725 61.478 62.300 -0.163 0.000 0.872 562 V CB 1.521 33.352 31.823 0.015 0.000 0.998 562 V HN 0.810 nan 8.190 nan 0.000 0.423 563 H N 2.740 121.883 119.070 0.121 0.000 2.506 563 H HA 0.318 4.874 4.556 0.001 0.000 0.289 563 H C 1.267 176.674 175.328 0.131 0.000 1.009 563 H CA 1.017 57.139 56.048 0.122 0.000 1.303 563 H CB 0.945 30.746 29.762 0.065 0.000 1.453 563 H HN 0.958 nan 8.280 nan 0.000 0.526 564 G N 3.128 112.040 108.800 0.186 0.000 3.285 564 G HA2 -0.177 3.784 3.960 0.001 0.000 0.685 564 G HA3 -0.177 3.784 3.960 0.001 0.000 0.685 564 G C -0.441 174.521 174.900 0.103 0.000 0.938 564 G CA -0.299 44.870 45.100 0.116 0.000 0.778 564 G HN 0.315 nan 8.290 nan 0.000 0.515 565 K N 2.730 123.169 120.400 0.064 0.000 2.235 565 K HA 0.581 4.901 4.320 0.001 0.000 0.266 565 K C 0.510 177.129 176.600 0.031 0.000 0.980 565 K CA -0.800 55.514 56.287 0.046 0.000 0.849 565 K CB 1.385 33.906 32.500 0.034 0.000 1.098 565 K HN 1.019 nan 8.250 nan 0.000 0.445 566 Q N 1.160 120.977 119.800 0.029 0.000 2.453 566 Q HA -0.200 4.141 4.340 0.001 0.000 0.330 566 Q C 0.367 176.382 176.000 0.025 0.000 1.417 566 Q CA 0.740 56.557 55.803 0.022 0.000 0.902 566 Q CB -2.140 26.607 28.738 0.014 0.000 1.154 566 Q HN 1.246 nan 8.270 nan 0.000 0.395 567 G N 0.078 108.900 108.800 0.036 0.000 2.249 567 G HA2 -0.326 3.635 3.960 0.001 0.000 0.273 567 G HA3 -0.326 3.635 3.960 0.001 0.000 0.273 567 G C -0.139 174.782 174.900 0.035 0.000 1.036 567 G CA 0.903 46.027 45.100 0.040 0.000 0.824 567 G HN 0.458 nan 8.290 nan 0.000 0.504 568 Q N -1.215 118.602 119.800 0.029 0.000 2.377 568 Q HA 0.596 4.937 4.340 0.001 0.000 0.279 568 Q C -0.872 175.128 176.000 -0.000 0.000 1.049 568 Q CA -1.091 54.717 55.803 0.007 0.000 0.825 568 Q CB 2.043 30.774 28.738 -0.013 0.000 1.401 568 Q HN 0.113 nan 8.270 nan 0.000 0.404 569 L N 1.985 123.190 121.223 -0.030 0.000 2.313 569 L HA 0.484 4.825 4.340 0.001 0.000 0.283 569 L C -0.149 176.676 176.870 -0.074 0.000 1.013 569 L CA -0.350 54.462 54.840 -0.046 0.000 0.816 569 L CB 1.226 43.239 42.059 -0.077 0.000 1.236 569 L HN 0.547 nan 8.230 nan 0.000 0.419 570 K N 5.001 125.373 120.400 -0.047 0.000 2.253 570 K HA 0.615 4.936 4.320 0.001 0.000 0.277 570 K C -1.377 175.189 176.600 -0.056 0.000 1.053 570 K CA -0.428 55.826 56.287 -0.055 0.000 0.892 570 K CB 0.750 33.233 32.500 -0.027 0.000 1.102 570 K HN 0.564 nan 8.250 nan 0.000 0.469 571 L N 3.693 124.867 121.223 -0.081 0.000 2.365 571 L HA 0.397 4.737 4.340 0.001 0.000 0.273 571 L C -0.264 176.571 176.870 -0.057 0.000 1.000 571 L CA -1.002 53.796 54.840 -0.070 0.000 0.819 571 L CB 2.188 44.184 42.059 -0.106 0.000 1.284 571 L HN 0.701 nan 8.230 nan 0.000 0.418 572 T N 0.959 115.492 114.554 -0.034 0.000 2.842 572 T HA 0.579 4.930 4.350 0.001 0.000 0.308 572 T C -0.553 174.136 174.700 -0.018 0.000 1.041 572 T CA -0.706 61.377 62.100 -0.027 0.000 0.964 572 T CB 0.877 69.736 68.868 -0.016 0.000 0.972 572 T HN 0.145 nan 8.240 nan 0.000 0.460 573 L N 3.412 124.620 121.223 -0.024 0.000 2.296 573 L HA 0.520 4.860 4.340 0.001 0.000 0.286 573 L C 0.944 177.802 176.870 -0.020 0.000 1.023 573 L CA -0.583 54.249 54.840 -0.013 0.000 0.812 573 L CB 1.388 43.438 42.059 -0.015 0.000 1.223 573 L HN 0.656 nan 8.230 nan 0.000 0.421 574 R N 2.810 123.307 120.500 -0.005 0.000 2.726 574 R HA 0.229 4.570 4.340 0.001 0.000 0.272 574 R C -2.126 174.156 176.300 -0.031 0.000 1.097 574 R CA -1.505 54.590 56.100 -0.010 0.000 1.198 574 R CB 0.009 30.316 30.300 0.012 0.000 1.114 574 R HN 0.343 nan 8.270 nan 0.000 0.550 575 P HA -0.093 nan 4.420 nan 0.000 0.261 575 P C -0.983 176.302 177.300 -0.026 0.000 1.183 575 P CA 0.748 63.770 63.100 -0.131 0.000 0.761 575 P CB 0.032 31.704 31.700 -0.046 0.000 0.785 576 Y N -0.790 119.519 120.300 0.015 0.000 3.721 576 Y HA -0.291 4.260 4.550 0.001 0.000 0.218 576 Y C 0.970 176.899 175.900 0.049 0.000 1.188 576 Y CA 0.435 58.556 58.100 0.035 0.000 1.607 576 Y CB -1.918 36.554 38.460 0.020 0.000 1.496 576 Y HN 0.453 nan 8.280 nan 0.000 0.626 577 Q N 0.898 120.769 119.800 0.119 0.000 2.227 577 Q HA 0.634 4.974 4.340 0.001 0.000 0.245 577 Q C 0.428 176.511 176.000 0.140 0.000 0.926 577 Q CA 0.003 55.873 55.803 0.113 0.000 0.895 577 Q CB 1.598 30.377 28.738 0.068 0.000 1.230 577 Q HN 0.358 nan 8.270 nan 0.000 0.450 578 G N 2.547 111.442 108.800 0.158 0.000 2.571 578 G HA2 0.626 4.587 3.960 0.001 0.000 0.304 578 G HA3 0.626 4.587 3.960 0.001 0.000 0.304 578 G C -1.205 173.782 174.900 0.144 0.000 1.314 578 G CA -0.741 44.465 45.100 0.176 0.000 0.975 578 G HN 0.595 nan 8.290 nan 0.000 0.485 579 M N 1.243 120.916 119.600 0.121 0.000 2.535 579 M HA 0.503 4.983 4.480 0.001 0.000 0.314 579 M C -0.798 175.570 176.300 0.112 0.000 1.153 579 M CA -0.572 54.794 55.300 0.110 0.000 0.924 579 M CB 2.868 35.521 32.600 0.088 0.000 1.710 579 M HN 0.240 nan 8.290 nan 0.000 0.451 580 I N 4.338 124.981 120.570 0.121 0.000 2.555 580 I HA 0.293 4.464 4.170 0.001 0.000 0.275 580 I C -0.992 175.241 176.117 0.193 0.000 1.082 580 I CA -0.351 61.024 61.300 0.124 0.000 1.167 580 I CB 0.583 38.635 38.000 0.087 0.000 1.312 580 I HN 0.519 nan 8.210 nan 0.000 0.493 581 L N 4.533 125.903 121.223 0.245 0.000 2.342 581 L HA 0.207 4.548 4.340 0.001 0.000 0.285 581 L C -0.537 176.671 176.870 0.564 0.000 1.095 581 L CA -0.156 54.912 54.840 0.381 0.000 0.843 581 L CB 0.167 42.428 42.059 0.337 0.000 1.201 581 L HN 0.538 nan 8.230 nan 0.000 0.445 582 W N 5.685 127.137 121.300 0.253 0.000 2.361 582 W HA 0.232 4.892 4.660 0.001 0.000 0.309 582 W C 1.202 177.672 176.519 -0.082 0.000 1.122 582 W CA -0.999 56.415 57.345 0.115 0.000 1.208 582 W CB 0.743 30.224 29.460 0.034 0.000 1.246 582 W HN 0.598 nan 8.180 nan 0.000 0.490 583 N N 4.025 122.250 118.700 -0.792 0.000 2.571 583 N HA -0.008 4.733 4.740 0.001 0.000 0.189 583 N C 1.235 175.910 175.510 -1.391 0.000 1.154 583 N CA 1.082 53.225 53.050 -1.511 0.000 0.907 583 N CB -0.241 37.324 38.487 -1.538 0.000 0.977 583 N HN 1.006 nan 8.380 nan 0.000 0.449 584 G N -0.126 107.309 108.800 -2.274 0.000 2.179 584 G HA2 -0.299 3.662 3.960 0.001 0.000 0.260 584 G HA3 -0.299 3.662 3.960 0.001 0.000 0.260 584 G C 0.214 174.441 174.900 -1.122 0.000 0.977 584 G CA 0.322 44.036 45.100 -2.310 0.000 0.641 584 G HN 0.519 nan 8.290 nan 0.000 0.533 585 R N 0.000 120.135 120.500 -0.609 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.065 56.100 -0.058 0.000 0.921 585 R CB 0.000 30.234 30.300 -0.110 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535