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 1bvz_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 GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.231 176.300 -0.115 0.000 1.140 1 M CA 0.000 55.247 55.300 -0.089 0.000 0.988 1 M CB 0.000 32.535 32.600 -0.109 0.000 1.302 2 L N 2.938 124.097 121.223 -0.107 0.000 2.287 2 L HA 0.372 4.713 4.340 0.001 0.000 0.280 2 L C 0.806 177.580 176.870 -0.161 0.000 1.055 2 L CA -0.304 54.468 54.840 -0.112 0.000 0.863 2 L CB 0.455 42.473 42.059 -0.067 0.000 1.245 2 L HN 0.703 nan 8.230 nan 0.000 0.432 3 L N 2.178 123.226 121.223 -0.292 0.000 2.275 3 L HA -0.098 4.243 4.340 0.001 0.000 0.215 3 L C 1.982 178.639 176.870 -0.355 0.000 1.119 3 L CA 0.723 55.212 54.840 -0.585 0.000 0.790 3 L CB -0.166 41.238 42.059 -1.092 0.000 0.919 3 L HN 0.727 nan 8.230 nan 0.000 0.443 4 E N 0.300 120.420 120.200 -0.132 0.000 2.437 4 E HA 0.032 4.382 4.350 0.001 0.000 0.189 4 E C 1.383 178.038 176.600 0.092 0.000 1.054 4 E CA 0.654 57.077 56.400 0.038 0.000 0.874 4 E CB 0.259 29.984 29.700 0.042 0.000 1.011 4 E HN 0.310 nan 8.360 nan 0.000 0.474 5 A N 0.865 123.728 122.820 0.072 0.000 2.169 5 A HA 0.275 4.595 4.320 0.001 0.000 0.210 5 A C 1.172 178.875 177.584 0.198 0.000 1.168 5 A CA -0.267 51.862 52.037 0.153 0.000 0.813 5 A CB 0.034 19.096 19.000 0.104 0.000 0.861 5 A HN 0.166 nan 8.150 nan 0.000 0.481 6 I N -0.328 120.311 120.570 0.115 0.000 2.581 6 I HA 0.379 4.549 4.170 0.001 0.000 0.288 6 I C -0.412 175.789 176.117 0.140 0.000 1.047 6 I CA -0.025 61.305 61.300 0.050 0.000 1.374 6 I CB 1.066 38.970 38.000 -0.159 0.000 1.423 6 I HN 0.323 nan 8.210 nan 0.000 0.549 7 F N 5.657 125.642 119.950 0.058 0.000 2.628 7 F HA 0.489 5.017 4.527 0.001 0.000 0.309 7 F C -1.193 174.759 175.800 0.254 0.000 1.108 7 F CA -0.419 57.687 58.000 0.176 0.000 0.971 7 F CB 1.363 40.336 39.000 -0.044 0.000 1.279 7 F HN 0.442 nan 8.300 nan 0.000 0.441 8 H N 4.024 122.401 119.070 -1.155 0.000 3.087 8 H HA 0.284 4.841 4.556 0.001 0.000 0.348 8 H C -1.477 173.127 175.328 -1.207 0.000 1.092 8 H CA -0.539 54.910 56.048 -0.998 0.000 1.285 8 H CB 2.088 31.453 29.762 -0.662 0.000 1.875 8 H HN 0.826 nan 8.280 nan 0.000 0.512 9 E N 2.103 121.758 120.200 -0.908 0.000 2.319 9 E HA 0.379 4.730 4.350 0.001 0.000 0.268 9 E C -0.085 176.268 176.600 -0.411 0.000 1.050 9 E CA -0.355 55.827 56.400 -0.363 0.000 0.878 9 E CB 1.256 30.929 29.700 -0.046 0.000 1.066 9 E HN 0.589 nan 8.360 nan 0.000 0.406 10 A N 3.318 126.104 122.820 -0.057 0.000 2.734 10 A HA 0.084 4.405 4.320 0.001 0.000 0.279 10 A C 0.060 177.791 177.584 0.244 0.000 1.386 10 A CA 0.171 52.301 52.037 0.155 0.000 0.987 10 A CB -0.614 18.559 19.000 0.288 0.000 1.041 10 A HN 0.550 nan 8.150 nan 0.000 0.569 11 K N -3.085 117.419 120.400 0.172 0.000 2.395 11 K HA 0.703 5.023 4.320 0.001 0.000 0.272 11 K C 0.678 177.422 176.600 0.241 0.000 0.984 11 K CA -0.394 56.045 56.287 0.254 0.000 0.816 11 K CB -0.215 32.384 32.500 0.164 0.000 1.504 11 K HN 1.138 nan 8.250 nan 0.000 0.375 12 G N 0.580 109.524 108.800 0.241 0.000 2.574 12 G HA2 -0.337 3.623 3.960 0.001 0.000 0.286 12 G HA3 -0.337 3.623 3.960 0.001 0.000 0.286 12 G C 0.599 175.677 174.900 0.297 0.000 1.212 12 G CA 0.525 45.769 45.100 0.240 0.000 0.979 12 G HN 0.639 nan 8.290 nan 0.000 0.557 13 S N -0.405 115.486 115.700 0.317 0.000 2.527 13 S HA 0.187 4.657 4.470 0.001 0.000 0.222 13 S C 1.571 176.235 174.600 0.106 0.000 0.985 13 S CA 1.680 60.008 58.200 0.213 0.000 0.921 13 S CB -0.022 63.252 63.200 0.124 0.000 0.772 13 S HN 0.492 nan 8.310 nan 0.000 0.529 14 Y N 1.222 121.600 120.300 0.130 0.000 2.458 14 Y HA 0.582 5.132 4.550 0.001 0.000 0.254 14 Y C 0.781 176.572 175.900 -0.182 0.000 1.120 14 Y CA -0.399 57.675 58.100 -0.043 0.000 1.282 14 Y CB 0.432 38.789 38.460 -0.172 0.000 1.109 14 Y HN 0.195 nan 8.280 nan 0.000 0.526 15 A N 0.091 122.933 122.820 0.037 0.000 2.456 15 A HA 0.679 4.999 4.320 0.001 0.000 0.288 15 A C -1.730 175.874 177.584 0.032 0.000 1.042 15 A CA -0.579 51.426 52.037 -0.053 0.000 0.738 15 A CB 0.390 19.453 19.000 0.105 0.000 1.266 15 A HN 0.231 nan 8.150 nan 0.000 0.407 16 Y N 0.043 120.245 120.300 -0.162 0.000 2.624 16 Y HA 0.852 5.403 4.550 0.001 0.000 0.334 16 Y C -3.499 172.232 175.900 -0.281 0.000 1.155 16 Y CA -2.976 55.023 58.100 -0.168 0.000 1.046 16 Y CB 0.876 39.333 38.460 -0.005 0.000 1.316 16 Y HN 0.372 nan 8.280 nan 0.000 0.457 17 P HA 0.410 nan 4.420 nan 0.000 0.286 17 P C 0.245 177.600 177.300 0.092 0.000 1.261 17 P CA -0.423 62.630 63.100 -0.079 0.000 0.821 17 P CB 1.472 33.152 31.700 -0.034 0.000 1.013 18 I N -0.991 119.579 120.570 -0.000 0.000 4.154 18 I HA 0.350 4.521 4.170 0.001 0.000 0.334 18 I C -0.082 176.040 176.117 0.008 0.000 1.371 18 I CA -0.008 61.313 61.300 0.034 0.000 1.110 18 I CB 0.254 38.259 38.000 0.009 0.000 1.085 18 I HN 0.237 nan 8.210 nan 0.000 0.398 19 S N -1.238 114.455 115.700 -0.010 0.000 2.655 19 S HA 0.326 4.797 4.470 0.001 0.000 0.266 19 S C 0.266 174.859 174.600 -0.013 0.000 1.149 19 S CA -0.656 57.544 58.200 -0.001 0.000 0.818 19 S CB 1.214 64.408 63.200 -0.010 0.000 1.130 19 S HN 0.173 nan 8.310 nan 0.000 0.476 20 E N 0.312 120.509 120.200 -0.004 0.000 2.209 20 E HA -0.099 4.251 4.350 0.001 0.000 0.196 20 E C 0.914 177.472 176.600 -0.070 0.000 0.993 20 E CA 1.739 58.123 56.400 -0.028 0.000 0.819 20 E CB -0.268 29.426 29.700 -0.011 0.000 0.745 20 E HN 0.709 nan 8.360 nan 0.000 0.477 21 T N -0.174 114.346 114.554 -0.057 0.000 3.081 21 T HA 0.054 4.405 4.350 0.001 0.000 0.255 21 T C 0.355 175.000 174.700 -0.092 0.000 1.113 21 T CA 0.318 62.380 62.100 -0.065 0.000 1.082 21 T CB 0.264 69.109 68.868 -0.038 0.000 0.939 21 T HN 0.039 nan 8.240 nan 0.000 0.506 22 Q N 0.704 120.437 119.800 -0.113 0.000 2.304 22 Q HA 0.575 4.916 4.340 0.001 0.000 0.270 22 Q C -1.791 174.074 176.000 -0.225 0.000 1.035 22 Q CA -0.666 55.046 55.803 -0.153 0.000 0.781 22 Q CB 2.540 31.209 28.738 -0.114 0.000 1.261 22 Q HN 0.113 nan 8.270 nan 0.000 0.444 23 L N 2.591 123.628 121.223 -0.310 0.000 2.287 23 L HA 0.464 4.805 4.340 0.001 0.000 0.287 23 L C -0.631 175.979 176.870 -0.435 0.000 1.022 23 L CA -0.239 54.349 54.840 -0.419 0.000 0.814 23 L CB 1.174 42.949 42.059 -0.474 0.000 1.217 23 L HN 0.471 nan 8.230 nan 0.000 0.420 24 R N 3.138 123.319 120.500 -0.532 0.000 2.340 24 R HA 0.624 4.964 4.340 0.001 0.000 0.300 24 R C -1.469 174.490 176.300 -0.568 0.000 1.069 24 R CA -0.215 55.541 56.100 -0.572 0.000 0.984 24 R CB 1.086 30.914 30.300 -0.787 0.000 1.003 24 R HN 0.508 nan 8.270 nan 0.000 0.459 25 V N 5.452 125.161 119.914 -0.341 0.000 2.525 25 V HA 0.443 4.564 4.120 0.001 0.000 0.299 25 V C -0.812 175.296 176.094 0.023 0.000 1.034 25 V CA -0.721 61.499 62.300 -0.134 0.000 0.863 25 V CB 1.684 33.353 31.823 -0.257 0.000 0.999 25 V HN 0.792 nan 8.190 nan 0.000 0.423 26 R N 4.631 125.184 120.500 0.088 0.000 2.664 26 R HA 0.862 5.202 4.340 0.001 0.000 0.286 26 R C -1.628 174.870 176.300 0.330 0.000 0.967 26 R CA -0.506 55.650 56.100 0.094 0.000 0.933 26 R CB 1.861 32.065 30.300 -0.160 0.000 1.146 26 R HN 0.649 nan 8.270 nan 0.000 0.468 27 L N 2.455 123.881 121.223 0.339 0.000 2.422 27 L HA 0.611 4.952 4.340 0.001 0.000 0.264 27 L C -1.456 175.674 176.870 0.433 0.000 0.984 27 L CA -0.597 54.433 54.840 0.317 0.000 0.819 27 L CB 1.857 43.845 42.059 -0.117 0.000 1.330 27 L HN 0.739 nan 8.230 nan 0.000 0.410 28 R N 3.833 124.582 120.500 0.414 0.000 2.599 28 R HA 0.932 5.273 4.340 0.001 0.000 0.295 28 R C -1.732 174.697 176.300 0.214 0.000 0.963 28 R CA -0.272 55.996 56.100 0.279 0.000 0.883 28 R CB 1.941 32.400 30.300 0.265 0.000 1.171 28 R HN 0.858 nan 8.270 nan 0.000 0.450 29 A N 3.499 126.457 122.820 0.229 0.000 2.515 29 A HA 0.384 4.704 4.320 0.001 0.000 0.296 29 A C -1.265 176.483 177.584 0.274 0.000 1.094 29 A CA -0.905 51.279 52.037 0.244 0.000 0.718 29 A CB 1.565 20.738 19.000 0.289 0.000 1.307 29 A HN 0.757 nan 8.150 nan 0.000 0.408 30 K N 1.053 121.559 120.400 0.177 0.000 2.414 30 K HA 0.064 4.385 4.320 0.001 0.000 0.272 30 K C -0.107 176.481 176.600 -0.019 0.000 0.993 30 K CA -0.027 56.247 56.287 -0.021 0.000 0.964 30 K CB 0.388 32.839 32.500 -0.082 0.000 0.925 30 K HN 0.641 nan 8.250 nan 0.000 0.487 31 K N 2.167 122.508 120.400 -0.099 0.000 2.382 31 K HA 0.031 4.351 4.320 0.001 0.000 0.286 31 K C 0.423 177.010 176.600 -0.022 0.000 1.062 31 K CA 1.007 57.263 56.287 -0.052 0.000 1.000 31 K CB -0.168 32.281 32.500 -0.085 0.000 0.954 31 K HN 0.872 nan 8.250 nan 0.000 0.470 32 G N 3.897 112.713 108.800 0.027 0.000 2.218 32 G HA2 -0.197 3.764 3.960 0.001 0.000 0.216 32 G HA3 -0.197 3.764 3.960 0.001 0.000 0.216 32 G C 0.453 175.378 174.900 0.042 0.000 0.994 32 G CA 0.133 45.254 45.100 0.034 0.000 0.637 32 G HN 0.704 nan 8.290 nan 0.000 0.505 33 D N -0.147 120.280 120.400 0.045 0.000 2.289 33 D HA 0.324 4.964 4.640 0.001 0.000 0.207 33 D C 0.970 177.290 176.300 0.033 0.000 0.966 33 D CA 1.135 55.149 54.000 0.023 0.000 0.868 33 D CB 0.622 41.422 40.800 0.001 0.000 0.943 33 D HN 0.413 nan 8.370 nan 0.000 0.514 34 V N 0.453 120.423 119.914 0.093 0.000 2.709 34 V HA 0.270 4.390 4.120 0.001 0.000 0.308 34 V C 0.811 176.973 176.094 0.113 0.000 1.062 34 V CA -0.717 61.601 62.300 0.029 0.000 0.901 34 V CB 2.350 34.114 31.823 -0.098 0.000 1.003 34 V HN -0.051 nan 8.190 nan 0.000 0.425 35 V N 1.035 120.964 119.914 0.025 0.000 3.548 35 V HA 0.541 4.661 4.120 0.001 0.000 0.279 35 V C 0.491 176.613 176.094 0.047 0.000 1.446 35 V CA 0.159 62.517 62.300 0.096 0.000 1.023 35 V CB 0.167 32.033 31.823 0.072 0.000 0.820 35 V HN 0.737 nan 8.190 nan 0.000 0.438 36 R N -0.250 120.196 120.500 -0.091 0.000 2.564 36 R HA 0.686 5.027 4.340 0.001 0.000 0.284 36 R C -1.992 174.155 176.300 -0.255 0.000 1.031 36 R CA -0.119 55.924 56.100 -0.096 0.000 0.904 36 R CB 2.201 32.482 30.300 -0.031 0.000 1.199 36 R HN 0.403 nan 8.270 nan 0.000 0.443 37 C N 3.424 122.555 119.300 -0.281 0.000 2.364 37 C HA 0.554 5.015 4.460 0.001 0.000 0.324 37 C C -0.662 174.341 174.990 0.021 0.000 1.234 37 C CA -0.266 58.615 59.018 -0.228 0.000 1.417 37 C CB 1.018 28.457 27.740 -0.502 0.000 2.101 37 C HN 0.960 nan 8.230 nan 0.000 0.466 38 E N 3.752 124.004 120.200 0.087 0.000 2.256 38 E HA 0.742 5.092 4.350 0.001 0.000 0.267 38 E C -1.472 175.175 176.600 0.078 0.000 0.892 38 E CA -0.537 55.916 56.400 0.089 0.000 0.775 38 E CB 2.167 31.905 29.700 0.063 0.000 1.207 38 E HN 0.622 nan 8.360 nan 0.000 0.420 39 V N 4.769 124.701 119.914 0.031 0.000 2.448 39 V HA 0.416 4.536 4.120 0.001 0.000 0.295 39 V C -0.427 175.671 176.094 0.007 0.000 1.025 39 V CA -0.745 61.507 62.300 -0.079 0.000 0.859 39 V CB 1.114 32.836 31.823 -0.169 0.000 0.988 39 V HN 0.548 nan 8.190 nan 0.000 0.431 40 L N 6.433 127.628 121.223 -0.047 0.000 2.333 40 L HA 0.746 5.087 4.340 0.001 0.000 0.280 40 L C -0.901 175.973 176.870 0.006 0.000 1.004 40 L CA -0.682 54.059 54.840 -0.163 0.000 0.820 40 L CB 1.486 43.413 42.059 -0.220 0.000 1.247 40 L HN 0.818 nan 8.230 nan 0.000 0.416 41 Y N 1.822 122.074 120.300 -0.079 0.000 2.544 41 Y HA 0.934 5.484 4.550 0.001 0.000 0.342 41 Y C -0.975 174.922 175.900 -0.005 0.000 1.062 41 Y CA -1.037 57.055 58.100 -0.014 0.000 1.023 41 Y CB 1.595 40.056 38.460 0.001 0.000 1.308 41 Y HN 0.670 nan 8.280 nan 0.000 0.457 42 A N 1.620 124.526 122.820 0.143 0.000 2.567 42 A HA 0.545 4.866 4.320 0.001 0.000 0.289 42 A C -1.517 176.145 177.584 0.130 0.000 1.177 42 A CA -0.672 51.421 52.037 0.094 0.000 0.694 42 A CB 1.073 20.074 19.000 0.001 0.000 1.292 42 A HN 0.916 nan 8.150 nan 0.000 0.425 43 D N -0.409 120.055 120.400 0.106 0.000 2.478 43 D HA 0.082 4.722 4.640 0.001 0.000 0.234 43 D C 1.143 177.486 176.300 0.072 0.000 1.154 43 D CA 0.417 54.484 54.000 0.112 0.000 0.874 43 D CB 0.549 41.426 40.800 0.129 0.000 1.198 43 D HN 0.446 nan 8.370 nan 0.000 0.455 44 R N 1.759 122.290 120.500 0.052 0.000 2.152 44 R HA -0.149 4.192 4.340 0.001 0.000 0.232 44 R C 0.986 177.095 176.300 -0.319 0.000 1.117 44 R CA 1.127 57.152 56.100 -0.126 0.000 0.981 44 R CB -0.091 30.111 30.300 -0.164 0.000 0.870 44 R HN 0.631 nan 8.270 nan 0.000 0.451 45 Y N -0.701 119.616 120.300 0.028 0.000 2.462 45 Y HA 0.287 4.837 4.550 0.001 0.000 0.261 45 Y C 0.896 176.801 175.900 0.009 0.000 1.146 45 Y CA -0.260 57.850 58.100 0.017 0.000 1.283 45 Y CB 0.248 38.722 38.460 0.023 0.000 1.090 45 Y HN -0.016 nan 8.280 nan 0.000 0.526 46 A N 0.874 123.751 122.820 0.096 0.000 2.445 46 A HA 0.345 4.666 4.320 0.001 0.000 0.242 46 A C 0.672 178.273 177.584 0.029 0.000 1.075 46 A CA -0.088 51.987 52.037 0.064 0.000 0.777 46 A CB -0.084 18.940 19.000 0.041 0.000 1.013 46 A HN 0.332 nan 8.150 nan 0.000 0.493 47 S N 1.746 117.460 115.700 0.025 0.000 2.617 47 S HA 0.400 4.870 4.470 0.001 0.000 0.269 47 S C -2.096 172.501 174.600 -0.006 0.000 1.292 47 S CA -0.895 57.312 58.200 0.011 0.000 1.010 47 S CB 0.606 63.815 63.200 0.016 0.000 0.944 47 S HN 0.463 nan 8.310 nan 0.000 0.536 48 P HA 0.001 nan 4.420 nan 0.000 0.220 48 P C 0.645 177.932 177.300 -0.022 0.000 1.148 48 P CA 0.806 63.890 63.100 -0.026 0.000 0.803 48 P CB -0.020 31.662 31.700 -0.030 0.000 0.782 49 E N -0.142 120.051 120.200 -0.013 0.000 2.515 49 E HA -0.079 4.272 4.350 0.001 0.000 0.201 49 E C 0.171 176.766 176.600 -0.008 0.000 1.071 49 E CA 0.565 56.959 56.400 -0.009 0.000 0.880 49 E CB -0.697 29.000 29.700 -0.005 0.000 0.828 49 E HN 0.517 nan 8.360 nan 0.000 0.540 50 E N 0.845 121.039 120.200 -0.010 0.000 2.175 50 E HA 0.218 4.568 4.350 0.001 0.000 0.278 50 E C -0.307 176.283 176.600 -0.017 0.000 0.969 50 E CA -0.666 55.728 56.400 -0.010 0.000 0.796 50 E CB 1.279 30.975 29.700 -0.008 0.000 1.104 50 E HN -0.128 nan 8.360 nan 0.000 0.395 51 E N 3.130 123.324 120.200 -0.010 0.000 2.259 51 E HA 0.157 4.507 4.350 0.001 0.000 0.281 51 E C -0.655 175.934 176.600 -0.018 0.000 1.027 51 E CA -0.461 55.937 56.400 -0.003 0.000 0.838 51 E CB 0.587 30.304 29.700 0.028 0.000 1.066 51 E HN 0.403 nan 8.360 nan 0.000 0.401 52 L N 2.641 123.834 121.223 -0.051 0.000 2.506 52 L HA 0.168 4.509 4.340 0.001 0.000 0.281 52 L C 0.779 177.565 176.870 -0.140 0.000 1.228 52 L CA -0.142 54.618 54.840 -0.132 0.000 0.850 52 L CB 0.196 42.157 42.059 -0.164 0.000 1.110 52 L HN 0.593 nan 8.230 nan 0.000 0.496 53 A N 1.985 124.600 122.820 -0.343 0.000 2.332 53 A HA 0.412 4.732 4.320 0.001 0.000 0.258 53 A C -0.543 176.783 177.584 -0.430 0.000 1.087 53 A CA -0.245 51.561 52.037 -0.385 0.000 0.802 53 A CB 0.124 18.687 19.000 -0.729 0.000 1.042 53 A HN 0.733 nan 8.150 nan 0.000 0.489 54 H N -0.857 118.044 119.070 -0.283 0.000 2.616 54 H HA 0.735 5.291 4.556 0.001 0.000 0.353 54 H C -0.136 175.245 175.328 0.088 0.000 1.170 54 H CA 0.236 56.236 56.048 -0.080 0.000 1.212 54 H CB 1.856 31.600 29.762 -0.029 0.000 1.653 54 H HN 0.883 nan 8.280 nan 0.000 0.537 55 A N 2.315 125.280 122.820 0.242 0.000 2.497 55 A HA 0.357 4.678 4.320 0.001 0.000 0.280 55 A C -1.539 176.128 177.584 0.138 0.000 1.065 55 A CA -0.584 51.581 52.037 0.213 0.000 0.781 55 A CB 0.489 19.626 19.000 0.228 0.000 1.289 55 A HN 0.510 nan 8.150 nan 0.000 0.415 56 L N 2.978 124.275 121.223 0.123 0.000 2.361 56 L HA 0.588 4.929 4.340 0.001 0.000 0.278 56 L C 0.795 177.741 176.870 0.127 0.000 1.113 56 L CA 0.371 55.281 54.840 0.117 0.000 0.849 56 L CB 0.973 43.096 42.059 0.107 0.000 1.155 56 L HN 0.875 nan 8.230 nan 0.000 0.452 57 A N 5.267 128.180 122.820 0.155 0.000 2.655 57 A HA 0.510 4.831 4.320 0.001 0.000 0.297 57 A C 0.838 178.588 177.584 0.278 0.000 1.461 57 A CA 0.130 52.295 52.037 0.213 0.000 1.146 57 A CB -1.160 18.013 19.000 0.289 0.000 1.108 57 A HN 0.910 nan 8.150 nan 0.000 0.550 58 G N 1.317 110.253 108.800 0.227 0.000 2.699 58 G HA2 0.302 4.262 3.960 0.001 0.000 0.246 58 G HA3 0.302 4.262 3.960 0.001 0.000 0.246 58 G C 0.157 175.242 174.900 0.309 0.000 1.219 58 G CA -0.557 44.692 45.100 0.249 0.000 0.866 58 G HN 0.778 nan 8.290 nan 0.000 0.572 59 K N 0.367 120.902 120.400 0.224 0.000 2.276 59 K HA 0.457 4.777 4.320 0.001 0.000 0.285 59 K C 0.791 177.378 176.600 -0.021 0.000 1.062 59 K CA -0.098 56.153 56.287 -0.060 0.000 0.918 59 K CB 0.893 33.324 32.500 -0.114 0.000 1.055 59 K HN 0.388 nan 8.250 nan 0.000 0.477 60 A N 3.433 126.228 122.820 -0.041 0.000 2.140 60 A HA 0.320 4.640 4.320 0.001 0.000 0.209 60 A C 0.578 178.167 177.584 0.008 0.000 1.181 60 A CA 0.667 52.705 52.037 0.001 0.000 0.824 60 A CB 0.452 19.450 19.000 -0.003 0.000 0.879 60 A HN 0.772 nan 8.150 nan 0.000 0.480 61 G N -1.754 107.062 108.800 0.027 0.000 2.601 61 G HA2 0.519 4.479 3.960 0.001 0.000 0.291 61 G HA3 0.519 4.479 3.960 0.001 0.000 0.291 61 G C -1.274 173.732 174.900 0.176 0.000 1.456 61 G CA 0.044 45.201 45.100 0.095 0.000 0.804 61 G HN 0.355 nan 8.290 nan 0.000 0.499 62 S N -0.350 115.459 115.700 0.182 0.000 2.564 62 S HA 0.782 5.252 4.470 0.001 0.000 0.274 62 S C -1.340 173.362 174.600 0.171 0.000 1.124 62 S CA -0.795 57.493 58.200 0.147 0.000 0.869 62 S CB 2.355 65.585 63.200 0.049 0.000 1.105 62 S HN 1.101 nan 8.310 nan 0.000 0.472 63 D N -0.547 119.941 120.400 0.146 0.000 2.614 63 D HA 0.396 5.036 4.640 0.001 0.000 0.264 63 D C 0.906 177.231 176.300 0.042 0.000 1.092 63 D CA -0.763 53.319 54.000 0.138 0.000 1.071 63 D CB 0.257 41.224 40.800 0.278 0.000 1.443 63 D HN 0.510 nan 8.370 nan 0.000 0.528 64 E N -0.583 119.628 120.200 0.020 0.000 2.351 64 E HA -0.364 3.986 4.350 0.001 0.000 0.249 64 E C 1.380 177.926 176.600 -0.090 0.000 1.062 64 E CA 2.484 58.869 56.400 -0.024 0.000 1.066 64 E CB 0.137 29.827 29.700 -0.016 0.000 0.955 64 E HN 0.368 nan 8.360 nan 0.000 0.504 65 R N -1.492 118.899 120.500 -0.183 0.000 2.250 65 R HA 0.182 4.522 4.340 0.001 0.000 0.194 65 R C 0.379 176.322 176.300 -0.596 0.000 0.927 65 R CA 0.201 56.022 56.100 -0.464 0.000 1.052 65 R CB 0.301 30.119 30.300 -0.804 0.000 1.055 65 R HN 0.099 nan 8.270 nan 0.000 0.537 66 F N 0.433 120.296 119.950 -0.145 0.000 2.525 66 F HA 0.419 4.946 4.527 0.001 0.000 0.346 66 F C 0.331 175.934 175.800 -0.328 0.000 1.072 66 F CA -0.859 56.966 58.000 -0.291 0.000 1.033 66 F CB 0.962 39.641 39.000 -0.535 0.000 1.324 66 F HN -0.288 nan 8.300 nan 0.000 0.491 67 D N -0.219 120.076 120.400 -0.175 0.000 2.964 67 D HA 0.282 4.922 4.640 0.001 0.000 0.234 67 D C -1.922 174.174 176.300 -0.339 0.000 1.223 67 D CA -0.269 53.603 54.000 -0.213 0.000 0.889 67 D CB 1.904 42.663 40.800 -0.068 0.000 1.609 67 D HN 0.310 nan 8.370 nan 0.000 0.523 68 Y N 1.833 121.945 120.300 -0.314 0.000 2.373 68 Y HA 0.466 5.017 4.550 0.001 0.000 0.336 68 Y C -0.485 175.168 175.900 -0.411 0.000 0.979 68 Y CA -0.740 57.248 58.100 -0.185 0.000 1.080 68 Y CB 1.482 39.895 38.460 -0.079 0.000 1.190 68 Y HN 0.175 nan 8.280 nan 0.000 0.446 69 F N 1.301 121.381 119.950 0.218 0.000 2.546 69 F HA 0.617 5.145 4.527 0.001 0.000 0.320 69 F C -0.271 175.603 175.800 0.124 0.000 1.076 69 F CA -1.018 57.069 58.000 0.145 0.000 0.928 69 F CB 2.297 41.372 39.000 0.124 0.000 1.189 69 F HN 0.373 nan 8.300 nan 0.000 0.465 70 E N 1.491 121.846 120.200 0.258 0.000 2.343 70 E HA 0.730 5.081 4.350 0.001 0.000 0.286 70 E C -1.974 174.686 176.600 0.100 0.000 0.915 70 E CA -0.604 55.874 56.400 0.131 0.000 0.784 70 E CB 1.782 31.506 29.700 0.040 0.000 1.251 70 E HN 0.808 nan 8.360 nan 0.000 0.407 71 A N 4.118 126.969 122.820 0.050 0.000 2.485 71 A HA 0.748 5.068 4.320 0.001 0.000 0.292 71 A C -1.806 175.716 177.584 -0.104 0.000 1.147 71 A CA -0.789 51.250 52.037 0.004 0.000 0.750 71 A CB 1.815 20.831 19.000 0.026 0.000 1.331 71 A HN 0.509 nan 8.150 nan 0.000 0.419 72 L N 1.622 122.775 121.223 -0.118 0.000 2.372 72 L HA 0.507 4.848 4.340 0.001 0.000 0.274 72 L C -1.858 174.872 176.870 -0.232 0.000 0.988 72 L CA -0.601 54.131 54.840 -0.180 0.000 0.833 72 L CB 1.203 43.192 42.059 -0.117 0.000 1.236 72 L HN 0.643 nan 8.230 nan 0.000 0.410 73 L N 5.061 126.045 121.223 -0.399 0.000 2.257 73 L HA 0.338 4.678 4.340 0.001 0.000 0.290 73 L C 0.427 177.050 176.870 -0.412 0.000 1.044 73 L CA -0.187 54.236 54.840 -0.695 0.000 0.810 73 L CB 0.937 42.440 42.059 -0.927 0.000 1.193 73 L HN 0.443 nan 8.230 nan 0.000 0.425 74 E N 2.523 122.613 120.200 -0.182 0.000 2.324 74 E HA 0.149 4.500 4.350 0.001 0.000 0.271 74 E C -0.676 175.934 176.600 0.016 0.000 1.028 74 E CA 0.086 56.472 56.400 -0.024 0.000 0.890 74 E CB 0.890 30.649 29.700 0.099 0.000 1.004 74 E HN 0.495 nan 8.360 nan 0.000 0.431 75 C N 2.603 121.887 119.300 -0.027 0.000 3.445 75 C HA 0.112 4.572 4.460 0.001 0.000 0.213 75 C C 1.632 176.614 174.990 -0.014 0.000 1.319 75 C CA -0.668 58.346 59.018 -0.007 0.000 1.402 75 C CB -0.868 26.826 27.740 -0.076 0.000 1.819 75 C HN 0.715 nan 8.230 nan 0.000 0.491 76 S N 0.234 115.943 115.700 0.017 0.000 2.442 76 S HA -0.172 4.299 4.470 0.001 0.000 0.236 76 S C 1.584 176.178 174.600 -0.010 0.000 1.007 76 S CA 1.889 60.090 58.200 0.002 0.000 0.965 76 S CB -0.637 62.575 63.200 0.020 0.000 0.773 76 S HN 0.828 nan 8.310 nan 0.000 0.504 77 T N -1.109 113.445 114.554 0.001 0.000 3.148 77 T HA 0.236 4.586 4.350 0.001 0.000 0.253 77 T C 0.480 175.111 174.700 -0.113 0.000 1.134 77 T CA 0.139 62.236 62.100 -0.005 0.000 1.051 77 T CB -0.702 68.201 68.868 0.057 0.000 0.959 77 T HN 0.439 nan 8.240 nan 0.000 0.525 78 K N 0.449 120.754 120.400 -0.158 0.000 3.069 78 K HA -0.182 4.138 4.320 0.001 0.000 0.267 78 K C -0.310 176.127 176.600 -0.273 0.000 1.082 78 K CA 0.673 56.785 56.287 -0.292 0.000 0.782 78 K CB -1.538 30.622 32.500 -0.567 0.000 1.230 78 K HN 0.547 nan 8.250 nan 0.000 0.488 79 R N -0.446 120.013 120.500 -0.068 0.000 2.535 79 R HA 0.619 4.959 4.340 0.001 0.000 0.274 79 R C -1.587 174.770 176.300 0.095 0.000 1.090 79 R CA -0.906 55.226 56.100 0.052 0.000 0.930 79 R CB 2.569 32.949 30.300 0.134 0.000 1.223 79 R HN -0.025 nan 8.270 nan 0.000 0.441 80 V N 3.058 123.055 119.914 0.138 0.000 2.932 80 V HA 0.497 4.617 4.120 0.001 0.000 0.307 80 V C -1.575 174.627 176.094 0.181 0.000 1.147 80 V CA -0.771 61.634 62.300 0.176 0.000 0.951 80 V CB 2.326 34.240 31.823 0.151 0.000 1.031 80 V HN 0.763 nan 8.190 nan 0.000 0.426 81 K N 5.784 126.269 120.400 0.141 0.000 2.323 81 K HA 0.752 5.073 4.320 0.001 0.000 0.259 81 K C -1.429 175.239 176.600 0.112 0.000 0.947 81 K CA -0.611 55.690 56.287 0.023 0.000 0.819 81 K CB 1.779 34.247 32.500 -0.053 0.000 1.109 81 K HN 0.662 nan 8.250 nan 0.000 0.429 82 Y N -0.737 119.571 120.300 0.014 0.000 2.634 82 Y HA 0.798 5.349 4.550 0.001 0.000 0.340 82 Y C -1.201 174.649 175.900 -0.084 0.000 1.058 82 Y CA -1.552 56.523 58.100 -0.040 0.000 1.081 82 Y CB 1.546 39.929 38.460 -0.129 0.000 1.295 82 Y HN 0.329 nan 8.280 nan 0.000 0.487 83 V N 1.884 121.803 119.914 0.009 0.000 2.888 83 V HA 0.534 4.654 4.120 0.001 0.000 0.309 83 V C -1.829 174.247 176.094 -0.030 0.000 1.114 83 V CA -1.138 61.170 62.300 0.014 0.000 0.940 83 V CB 1.749 33.589 31.823 0.028 0.000 1.021 83 V HN 0.683 nan 8.190 nan 0.000 0.426 84 F N 6.046 126.186 119.950 0.317 0.000 2.420 84 F HA 0.549 5.077 4.527 0.001 0.000 0.352 84 F C 0.068 175.987 175.800 0.199 0.000 1.108 84 F CA -0.295 57.859 58.000 0.257 0.000 1.162 84 F CB 1.495 40.683 39.000 0.313 0.000 1.118 84 F HN 0.389 nan 8.300 nan 0.000 0.510 85 L N 5.440 126.770 121.223 0.179 0.000 2.292 85 L HA 0.538 4.879 4.340 0.001 0.000 0.284 85 L C -1.104 175.744 176.870 -0.036 0.000 1.065 85 L CA -0.176 54.607 54.840 -0.095 0.000 0.806 85 L CB 0.613 42.544 42.059 -0.214 0.000 1.175 85 L HN 0.483 nan 8.230 nan 0.000 0.431 86 L N 5.265 126.435 121.223 -0.089 0.000 2.377 86 L HA 0.442 4.782 4.340 0.001 0.000 0.270 86 L C -0.406 176.396 176.870 -0.113 0.000 0.991 86 L CA -0.453 54.330 54.840 -0.095 0.000 0.851 86 L CB 1.606 43.628 42.059 -0.061 0.000 1.218 86 L HN 0.571 nan 8.230 nan 0.000 0.420 87 T N 1.157 115.645 114.554 -0.110 0.000 2.845 87 T HA 0.543 4.893 4.350 0.001 0.000 0.288 87 T C 0.559 175.219 174.700 -0.066 0.000 0.980 87 T CA -0.438 61.613 62.100 -0.081 0.000 1.071 87 T CB 1.809 70.642 68.868 -0.060 0.000 0.941 87 T HN 0.631 nan 8.240 nan 0.000 0.487 88 G N 2.117 110.889 108.800 -0.048 0.000 2.521 88 G HA2 0.499 4.460 3.960 0.001 0.000 0.323 88 G HA3 0.499 4.460 3.960 0.001 0.000 0.323 88 G C -1.415 173.478 174.900 -0.012 0.000 1.211 88 G CA -1.697 43.385 45.100 -0.031 0.000 0.979 88 G HN 0.414 nan 8.290 nan 0.000 0.490 89 P HA -0.148 nan 4.420 nan 0.000 0.219 89 P C 1.037 178.338 177.300 0.002 0.000 1.146 89 P CA 1.343 64.448 63.100 0.008 0.000 0.808 89 P CB 0.361 32.068 31.700 0.012 0.000 0.779 90 Q N -1.200 118.597 119.800 -0.005 0.000 2.134 90 Q HA 0.241 4.582 4.340 0.001 0.000 0.195 90 Q C 1.513 177.510 176.000 -0.006 0.000 0.958 90 Q CA 1.207 57.007 55.803 -0.005 0.000 0.840 90 Q CB 0.029 28.762 28.738 -0.009 0.000 0.918 90 Q HN 0.320 nan 8.270 nan 0.000 0.467 91 G N 0.741 109.534 108.800 -0.011 0.000 2.731 91 G HA2 -0.094 3.867 3.960 0.001 0.000 0.219 91 G HA3 -0.094 3.867 3.960 0.001 0.000 0.219 91 G C -0.833 174.055 174.900 -0.019 0.000 0.989 91 G CA -0.662 44.431 45.100 -0.012 0.000 0.871 91 G HN 0.144 nan 8.290 nan 0.000 0.591 92 E N 0.348 120.534 120.200 -0.025 0.000 2.422 92 E HA 0.603 4.954 4.350 0.001 0.000 0.260 92 E C 0.483 177.056 176.600 -0.045 0.000 1.108 92 E CA 0.728 57.109 56.400 -0.031 0.000 0.943 92 E CB 0.960 30.638 29.700 -0.036 0.000 0.961 92 E HN 1.045 nan 8.360 nan 0.000 0.443 93 A N 1.108 123.896 122.820 -0.054 0.000 2.427 93 A HA 0.617 4.937 4.320 0.001 0.000 0.298 93 A C -1.231 176.287 177.584 -0.109 0.000 1.036 93 A CA -0.690 51.288 52.037 -0.098 0.000 0.701 93 A CB 1.134 20.072 19.000 -0.103 0.000 1.250 93 A HN 0.296 nan 8.150 nan 0.000 0.412 94 V N 1.297 121.128 119.914 -0.138 0.000 3.078 94 V HA 0.549 4.669 4.120 0.001 0.000 0.311 94 V C -1.388 174.646 176.094 -0.100 0.000 1.138 94 V CA -0.751 61.520 62.300 -0.049 0.000 1.007 94 V CB 1.979 33.824 31.823 0.037 0.000 1.045 94 V HN 0.808 nan 8.190 nan 0.000 0.432 95 Y N 2.057 122.469 120.300 0.186 0.000 2.360 95 Y HA 0.702 5.252 4.550 0.000 0.000 0.337 95 Y C -0.572 175.527 175.900 0.331 0.000 1.039 95 Y CA -0.639 57.588 58.100 0.212 0.000 1.109 95 Y CB 1.893 40.428 38.460 0.124 0.000 1.201 95 Y HN 0.611 nan 8.280 nan 0.000 0.458 96 F N 2.387 122.529 119.950 0.321 0.000 2.518 96 F HA 0.842 5.370 4.527 0.000 0.000 0.323 96 F C -0.274 175.598 175.800 0.120 0.000 1.129 96 F CA -0.718 57.362 58.000 0.133 0.000 0.920 96 F CB 1.253 40.366 39.000 0.187 0.000 1.160 96 F HN 0.520 nan 8.300 nan 0.000 0.440 97 G N 4.178 112.753 108.800 -0.374 0.000 2.975 97 G HA2 0.195 4.156 3.960 0.001 0.000 0.291 97 G HA3 0.195 4.156 3.960 0.001 0.000 0.291 97 G C -0.209 173.779 174.900 -1.520 0.000 1.334 97 G CA -0.454 44.046 45.100 -1.000 0.000 0.843 97 G HN 0.632 nan 8.290 nan 0.000 0.548 98 E N -0.982 118.332 120.200 -1.476 0.000 2.110 98 E HA -0.141 4.209 4.350 0.001 0.000 0.193 98 E C 2.451 178.722 176.600 -0.550 0.000 0.988 98 E CA 1.958 57.753 56.400 -1.010 0.000 0.804 98 E CB 0.007 29.320 29.700 -0.646 0.000 0.745 98 E HN 0.511 nan 8.360 nan 0.000 0.458 99 T N -2.650 111.656 114.554 -0.414 0.000 3.055 99 T HA 0.268 4.618 4.350 0.001 0.000 0.265 99 T C 1.006 175.591 174.700 -0.192 0.000 1.111 99 T CA 0.455 62.410 62.100 -0.241 0.000 1.118 99 T CB 0.565 69.329 68.868 -0.172 0.000 0.909 99 T HN 0.355 nan 8.240 nan 0.000 0.501 100 G N 0.925 109.561 108.800 -0.272 0.000 2.233 100 G HA2 0.270 4.231 3.960 0.001 0.000 0.162 100 G HA3 0.270 4.231 3.960 0.001 0.000 0.162 100 G C -1.662 173.131 174.900 -0.178 0.000 1.327 100 G CA -0.918 44.037 45.100 -0.241 0.000 1.187 100 G HN 0.288 nan 8.290 nan 0.000 0.479 101 F N 0.951 120.995 119.950 0.157 0.000 2.520 101 F HA 0.857 5.385 4.527 0.000 0.000 0.322 101 F C 0.538 176.410 175.800 0.120 0.000 1.103 101 F CA -0.433 57.671 58.000 0.174 0.000 0.926 101 F CB 2.512 41.588 39.000 0.127 0.000 1.154 101 F HN 0.579 nan 8.300 nan 0.000 0.453 102 S N 0.379 116.283 115.700 0.339 0.000 2.579 102 S HA 0.697 5.167 4.470 0.001 0.000 0.272 102 S C 0.363 175.127 174.600 0.273 0.000 1.141 102 S CA -0.032 58.311 58.200 0.238 0.000 0.843 102 S CB 1.641 64.938 63.200 0.161 0.000 1.122 102 S HN 0.793 nan 8.310 nan 0.000 0.468 103 A N 1.491 124.428 122.820 0.195 0.000 2.066 103 A HA 0.155 4.476 4.320 0.001 0.000 0.218 103 A C 0.817 178.579 177.584 0.296 0.000 1.157 103 A CA 0.855 53.017 52.037 0.209 0.000 0.670 103 A CB -0.206 18.864 19.000 0.117 0.000 0.804 103 A HN 0.645 nan 8.150 nan 0.000 0.453 104 E N 0.167 120.480 120.200 0.190 0.000 2.146 104 E HA 0.228 4.578 4.350 0.001 0.000 0.282 104 E C 0.883 177.441 176.600 -0.070 0.000 0.989 104 E CA -0.458 55.989 56.400 0.078 0.000 0.799 104 E CB 0.945 30.660 29.700 0.026 0.000 1.088 104 E HN 0.397 nan 8.360 nan 0.000 0.397 105 R N 2.551 122.788 120.500 -0.439 0.000 2.136 105 R HA -0.190 4.150 4.340 0.001 0.000 0.242 105 R C 1.541 177.598 176.300 -0.405 0.000 1.131 105 R CA 2.603 58.137 56.100 -0.944 0.000 0.937 105 R CB -0.152 29.558 30.300 -0.984 0.000 0.863 105 R HN 0.395 nan 8.270 nan 0.000 0.435 106 S N 0.043 115.585 115.700 -0.263 0.000 2.555 106 S HA -0.012 4.459 4.470 0.001 0.000 0.230 106 S C 1.266 175.789 174.600 -0.128 0.000 0.978 106 S CA 0.921 59.013 58.200 -0.179 0.000 0.934 106 S CB 0.081 63.197 63.200 -0.139 0.000 0.766 106 S HN 0.394 nan 8.310 nan 0.000 0.533 107 K N 1.229 121.573 120.400 -0.094 0.000 2.361 107 K HA 0.275 4.595 4.320 0.001 0.000 0.196 107 K C 2.198 178.767 176.600 -0.051 0.000 1.039 107 K CA 0.634 56.889 56.287 -0.052 0.000 1.001 107 K CB -0.070 32.425 32.500 -0.009 0.000 0.795 107 K HN 0.309 nan 8.250 nan 0.000 0.495 108 A N 1.562 124.352 122.820 -0.050 0.000 1.897 108 A HA 0.225 4.545 4.320 0.001 0.000 0.215 108 A C 1.187 178.659 177.584 -0.186 0.000 1.181 108 A CA 1.493 53.505 52.037 -0.041 0.000 0.620 108 A CB -0.370 18.677 19.000 0.079 0.000 0.821 108 A HN 0.397 nan 8.150 nan 0.000 0.443 109 G N -2.711 105.964 108.800 -0.209 0.000 2.378 109 G HA2 0.199 4.159 3.960 0.001 0.000 0.198 109 G HA3 0.199 4.159 3.960 0.001 0.000 0.198 109 G C -0.669 174.043 174.900 -0.313 0.000 1.223 109 G CA -0.195 44.740 45.100 -0.276 0.000 1.088 109 G HN 1.188 nan 8.290 nan 0.000 0.530 110 V N -0.153 119.528 119.914 -0.388 0.000 3.007 110 V HA 0.818 4.939 4.120 0.001 0.000 0.311 110 V C -1.106 174.664 176.094 -0.540 0.000 1.120 110 V CA -0.883 61.190 62.300 -0.378 0.000 0.980 110 V CB 1.929 33.597 31.823 -0.259 0.000 1.033 110 V HN 0.826 nan 8.190 nan 0.000 0.429 111 F N 2.409 121.967 119.950 -0.653 0.000 2.458 111 F HA 0.703 5.231 4.527 0.001 0.000 0.330 111 F C 0.295 175.638 175.800 -0.761 0.000 1.082 111 F CA -0.340 57.241 58.000 -0.699 0.000 0.995 111 F CB 1.877 40.402 39.000 -0.792 0.000 1.170 111 F HN 0.351 nan 8.300 nan 0.000 0.478 112 Q N 1.282 120.980 119.800 -0.170 0.000 2.375 112 Q HA 0.310 4.650 4.340 0.001 0.000 0.271 112 Q C -1.781 174.297 176.000 0.129 0.000 1.074 112 Q CA -0.961 54.816 55.803 -0.044 0.000 0.808 112 Q CB 2.788 31.490 28.738 -0.060 0.000 1.327 112 Q HN 0.599 nan 8.270 nan 0.000 0.441 113 Y N 1.270 121.655 120.300 0.142 0.000 2.595 113 Y HA 0.364 4.915 4.550 0.001 0.000 0.336 113 Y C 0.805 176.759 175.900 0.090 0.000 0.996 113 Y CA -0.281 57.900 58.100 0.135 0.000 1.260 113 Y CB 0.412 38.962 38.460 0.149 0.000 1.108 113 Y HN 0.941 nan 8.280 nan 0.000 0.509 114 A N 4.872 127.622 122.820 -0.116 0.000 1.892 114 A HA -0.190 4.130 4.320 0.001 0.000 0.218 114 A C -0.225 177.447 177.584 0.147 0.000 1.188 114 A CA 1.833 53.874 52.037 0.007 0.000 0.631 114 A CB -0.416 18.572 19.000 -0.020 0.000 0.822 114 A HN 0.707 nan 8.150 nan 0.000 0.447 115 Y N -2.390 117.869 120.300 -0.067 0.000 2.521 115 Y HA 0.516 5.067 4.550 0.001 0.000 0.332 115 Y C -1.177 174.713 175.900 -0.016 0.000 1.121 115 Y CA -1.133 56.933 58.100 -0.058 0.000 1.037 115 Y CB 1.242 39.593 38.460 -0.180 0.000 1.330 115 Y HN 0.072 nan 8.280 nan 0.000 0.452 116 I N 6.112 126.575 120.570 -0.179 0.000 2.287 116 I HA 0.220 4.391 4.170 0.001 0.000 0.290 116 I C -0.475 175.618 176.117 -0.040 0.000 1.069 116 I CA -0.226 61.095 61.300 0.035 0.000 1.237 116 I CB 0.196 38.172 38.000 -0.039 0.000 1.418 116 I HN 0.624 nan 8.210 nan 0.000 0.481 117 H N 4.487 123.734 119.070 0.295 0.000 2.551 117 H HA 0.237 4.794 4.556 0.001 0.000 0.358 117 H C 1.171 176.597 175.328 0.163 0.000 1.151 117 H CA -0.376 55.834 56.048 0.270 0.000 1.374 117 H CB 1.316 31.209 29.762 0.217 0.000 1.473 117 H HN 0.397 nan 8.280 nan 0.000 0.574 118 R N 1.378 122.048 120.500 0.283 0.000 2.090 118 R HA -0.120 4.220 4.340 0.001 0.000 0.228 118 R C 1.873 178.260 176.300 0.145 0.000 1.110 118 R CA 1.664 57.865 56.100 0.168 0.000 0.973 118 R CB -0.316 30.067 30.300 0.139 0.000 0.869 118 R HN 0.773 nan 8.270 nan 0.000 0.440 119 S N 0.298 116.087 115.700 0.148 0.000 2.383 119 S HA -0.081 4.390 4.470 0.001 0.000 0.227 119 S C 0.952 175.612 174.600 0.101 0.000 1.026 119 S CA 0.749 59.006 58.200 0.095 0.000 0.981 119 S CB -0.168 63.062 63.200 0.051 0.000 0.818 119 S HN 0.397 nan 8.310 nan 0.000 0.472 120 E N 1.510 121.802 120.200 0.154 0.000 2.424 120 E HA 0.272 4.623 4.350 0.001 0.000 0.237 120 E C -1.152 175.551 176.600 0.172 0.000 1.381 120 E CA -0.247 56.248 56.400 0.158 0.000 1.587 120 E CB 0.231 30.063 29.700 0.220 0.000 1.398 120 E HN 0.267 nan 8.360 nan 0.000 0.439 121 V N 2.155 122.156 119.914 0.146 0.000 2.378 121 V HA 0.121 4.242 4.120 0.001 0.000 0.288 121 V C -0.264 175.943 176.094 0.188 0.000 1.016 121 V CA -0.951 61.443 62.300 0.157 0.000 0.840 121 V CB 0.834 32.729 31.823 0.120 0.000 0.994 121 V HN 0.279 nan 8.190 nan 0.000 0.431 122 F N 4.742 124.709 119.950 0.029 0.000 2.538 122 F HA 0.292 4.820 4.527 0.001 0.000 0.382 122 F C 0.596 176.390 175.800 -0.010 0.000 1.069 122 F CA 0.200 58.196 58.000 -0.005 0.000 1.138 122 F CB -0.069 38.898 39.000 -0.055 0.000 1.068 122 F HN 0.498 nan 8.300 nan 0.000 0.556 123 T N 5.042 119.829 114.554 0.388 0.000 2.797 123 T HA 0.491 4.841 4.350 0.001 0.000 0.279 123 T C -0.239 174.593 174.700 0.220 0.000 0.991 123 T CA -0.533 61.691 62.100 0.207 0.000 0.979 123 T CB 1.479 70.419 68.868 0.121 0.000 0.943 123 T HN 0.519 nan 8.240 nan 0.000 0.444 124 T N 4.385 118.994 114.554 0.092 0.000 2.876 124 T HA 0.488 4.839 4.350 0.001 0.000 0.289 124 T C -2.593 172.076 174.700 -0.050 0.000 1.014 124 T CA -1.390 60.722 62.100 0.022 0.000 0.986 124 T CB 1.566 70.378 68.868 -0.094 0.000 1.021 124 T HN 0.237 nan 8.240 nan 0.000 0.458 125 P HA 0.080 nan 4.420 nan 0.000 0.261 125 P C 0.839 178.009 177.300 -0.216 0.000 1.183 125 P CA 0.095 63.099 63.100 -0.161 0.000 0.761 125 P CB 0.567 32.036 31.700 -0.385 0.000 0.785 126 E N 3.387 123.558 120.200 -0.047 0.000 2.070 126 E HA -0.201 4.149 4.350 0.001 0.000 0.197 126 E C 1.872 178.460 176.600 -0.019 0.000 1.004 126 E CA 1.486 57.874 56.400 -0.021 0.000 0.805 126 E CB -0.664 29.062 29.700 0.043 0.000 0.744 126 E HN 0.709 nan 8.360 nan 0.000 0.451 127 W N 0.938 122.238 121.300 0.001 0.000 2.331 127 W HA -0.141 4.520 4.660 0.001 0.000 0.291 127 W C 1.723 178.249 176.519 0.011 0.000 1.214 127 W CA 1.260 58.604 57.345 -0.002 0.000 1.228 127 W CB -0.865 28.592 29.460 -0.006 0.000 1.135 127 W HN 0.025 nan 8.180 nan 0.000 0.537 128 A N 1.555 123.888 122.820 -0.812 0.000 2.067 128 A HA -0.137 4.183 4.320 0.001 0.000 0.219 128 A C 2.101 179.493 177.584 -0.319 0.000 1.158 128 A CA 1.589 53.114 52.037 -0.853 0.000 0.661 128 A CB -0.569 17.931 19.000 -0.833 0.000 0.801 128 A HN 0.421 nan 8.150 nan 0.000 0.452 129 K N 0.235 120.510 120.400 -0.208 0.000 2.155 129 K HA -0.069 4.252 4.320 0.001 0.000 0.203 129 K C 0.713 177.274 176.600 -0.065 0.000 1.052 129 K CA 1.204 57.413 56.287 -0.129 0.000 0.948 129 K CB 0.059 32.495 32.500 -0.108 0.000 0.728 129 K HN 0.647 nan 8.250 nan 0.000 0.448 130 E N 0.699 120.905 120.200 0.009 0.000 2.496 130 E HA 0.215 4.565 4.350 0.001 0.000 0.202 130 E C -0.316 176.386 176.600 0.170 0.000 1.021 130 E CA -0.253 56.198 56.400 0.085 0.000 1.015 130 E CB 0.366 30.150 29.700 0.140 0.000 1.102 130 E HN 0.076 nan 8.360 nan 0.000 0.452 131 A N 0.618 123.494 122.820 0.094 0.000 2.322 131 A HA 0.512 4.832 4.320 0.001 0.000 0.269 131 A C -0.130 177.463 177.584 0.015 0.000 1.094 131 A CA -0.508 51.614 52.037 0.142 0.000 0.807 131 A CB 1.036 20.126 19.000 0.149 0.000 1.047 131 A HN 0.110 nan 8.150 nan 0.000 0.487 132 V N 3.666 123.600 119.914 0.033 0.000 2.482 132 V HA 0.305 4.426 4.120 0.001 0.000 0.295 132 V C -0.652 175.421 176.094 -0.035 0.000 1.026 132 V CA -0.449 61.820 62.300 -0.051 0.000 0.856 132 V CB 1.151 32.953 31.823 -0.035 0.000 1.001 132 V HN 0.687 nan 8.190 nan 0.000 0.424 133 I N 4.054 124.536 120.570 -0.146 0.000 2.577 133 I HA 0.453 4.624 4.170 0.001 0.000 0.305 133 I C -0.746 175.349 176.117 -0.036 0.000 0.986 133 I CA -0.819 60.375 61.300 -0.177 0.000 1.189 133 I CB 1.535 39.173 38.000 -0.603 0.000 1.355 133 I HN 0.679 nan 8.210 nan 0.000 0.476 134 Y N 4.145 124.370 120.300 -0.124 0.000 2.363 134 Y HA 0.260 4.810 4.550 0.001 0.000 0.325 134 Y C 0.268 176.104 175.900 -0.107 0.000 0.984 134 Y CA -0.645 57.409 58.100 -0.077 0.000 1.248 134 Y CB 1.143 39.551 38.460 -0.087 0.000 1.116 134 Y HN 0.611 nan 8.280 nan 0.000 0.470 135 Q N 6.550 126.238 119.800 -0.188 0.000 2.300 135 Q HA 0.285 4.625 4.340 0.001 0.000 0.262 135 Q C -1.061 174.794 176.000 -0.242 0.000 1.109 135 Q CA 0.097 55.861 55.803 -0.065 0.000 0.905 135 Q CB 0.235 29.157 28.738 0.307 0.000 1.280 135 Q HN 0.765 nan 8.270 nan 0.000 0.426 136 I N 4.616 124.942 120.570 -0.406 0.000 2.342 136 I HA 0.135 4.306 4.170 0.001 0.000 0.291 136 I C -0.485 175.410 176.117 -0.369 0.000 1.010 136 I CA -0.505 60.509 61.300 -0.476 0.000 1.308 136 I CB 0.615 38.194 38.000 -0.702 0.000 1.400 136 I HN 0.586 nan 8.210 nan 0.000 0.488 137 F N 10.128 129.781 119.950 -0.495 0.000 2.335 137 F HA 0.428 4.956 4.527 0.001 0.000 0.365 137 F C -1.876 173.784 175.800 -0.235 0.000 1.122 137 F CA -2.492 55.308 58.000 -0.333 0.000 1.151 137 F CB 0.761 39.610 39.000 -0.252 0.000 1.282 137 F HN 0.337 nan 8.300 nan 0.000 0.513 138 P HA -0.171 nan 4.420 nan 0.000 0.216 138 P C 1.460 178.796 177.300 0.059 0.000 1.153 138 P CA 0.998 63.956 63.100 -0.236 0.000 0.844 138 P CB 0.213 31.560 31.700 -0.589 0.000 0.787 139 E N -0.343 119.927 120.200 0.117 0.000 2.219 139 E HA -0.201 4.150 4.350 0.001 0.000 0.198 139 E C 1.510 178.372 176.600 0.437 0.000 0.998 139 E CA 1.151 57.798 56.400 0.412 0.000 0.818 139 E CB -0.039 29.901 29.700 0.400 0.000 0.741 139 E HN 0.029 nan 8.360 nan 0.000 0.477 140 R N -1.698 118.994 120.500 0.319 0.000 2.437 140 R HA 0.135 4.475 4.340 0.001 0.000 0.257 140 R C 1.407 177.887 176.300 0.300 0.000 0.927 140 R CA -0.146 56.125 56.100 0.284 0.000 1.078 140 R CB -0.159 30.335 30.300 0.322 0.000 1.161 140 R HN 0.072 nan 8.270 nan 0.000 0.529 141 F N 0.069 120.135 119.950 0.193 0.000 2.147 141 F HA 0.421 4.948 4.527 0.001 0.000 0.291 141 F C 0.070 176.324 175.800 0.757 0.000 1.093 141 F CA 0.595 58.789 58.000 0.323 0.000 1.263 141 F CB 0.331 39.432 39.000 0.168 0.000 1.036 141 F HN -0.101 nan 8.300 nan 0.000 0.481 142 A N 0.495 123.600 122.820 0.476 0.000 2.532 142 A HA 0.376 4.696 4.320 0.001 0.000 0.296 142 A C -1.559 176.017 177.584 -0.014 0.000 1.058 142 A CA -0.700 51.402 52.037 0.109 0.000 0.729 142 A CB 0.247 19.090 19.000 -0.262 0.000 1.285 142 A HN 0.152 nan 8.150 nan 0.000 0.396 143 N N 1.882 120.345 118.700 -0.394 0.000 2.558 143 N HA 0.375 5.115 4.740 0.001 0.000 0.233 143 N C 0.816 176.175 175.510 -0.251 0.000 1.038 143 N CA 0.491 53.385 53.050 -0.260 0.000 0.934 143 N CB 1.165 39.428 38.487 -0.373 0.000 1.175 143 N HN 0.798 nan 8.380 nan 0.000 0.512 144 G N 1.314 110.028 108.800 -0.143 0.000 3.126 144 G HA2 0.017 3.978 3.960 0.001 0.000 0.224 144 G HA3 0.017 3.978 3.960 0.001 0.000 0.224 144 G C -0.131 174.703 174.900 -0.109 0.000 1.142 144 G CA -0.153 44.855 45.100 -0.152 0.000 0.759 144 G HN 0.555 nan 8.290 nan 0.000 0.550 145 D N -0.463 119.885 120.400 -0.086 0.000 2.584 145 D HA 0.184 4.824 4.640 0.001 0.000 0.238 145 D C -1.796 174.468 176.300 -0.060 0.000 1.302 145 D CA -1.283 52.680 54.000 -0.062 0.000 0.884 145 D CB 1.599 42.378 40.800 -0.036 0.000 1.456 145 D HN -0.039 nan 8.370 nan 0.000 0.528 146 P HA -0.102 nan 4.420 nan 0.000 0.226 146 P C 0.871 178.138 177.300 -0.054 0.000 1.146 146 P CA 0.503 63.567 63.100 -0.061 0.000 0.773 146 P CB 0.242 31.904 31.700 -0.063 0.000 0.772 147 S N 0.603 116.273 115.700 -0.051 0.000 2.507 147 S HA -0.133 4.337 4.470 0.001 0.000 0.235 147 S C 1.719 176.283 174.600 -0.060 0.000 0.988 147 S CA 1.232 59.402 58.200 -0.049 0.000 0.944 147 S CB -1.160 62.016 63.200 -0.041 0.000 0.762 147 S HN 0.422 nan 8.310 nan 0.000 0.526 148 N N 1.972 120.635 118.700 -0.062 0.000 2.171 148 N HA -0.107 4.634 4.740 0.001 0.000 0.184 148 N C -0.488 174.945 175.510 -0.127 0.000 1.021 148 N CA 0.845 53.847 53.050 -0.080 0.000 0.854 148 N CB -0.714 37.742 38.487 -0.053 0.000 0.994 148 N HN 0.050 nan 8.380 nan 0.000 0.426 149 D N 1.912 122.243 120.400 -0.115 0.000 2.583 149 D HA 0.070 4.711 4.640 0.001 0.000 0.232 149 D C -2.158 173.985 176.300 -0.261 0.000 1.128 149 D CA -0.449 53.461 54.000 -0.150 0.000 0.859 149 D CB 0.157 40.904 40.800 -0.088 0.000 1.169 149 D HN 0.335 nan 8.370 nan 0.000 0.481 150 P HA 0.186 nan 4.420 nan 0.000 0.275 150 P C -2.523 174.475 177.300 -0.503 0.000 1.228 150 P CA -1.245 61.430 63.100 -0.709 0.000 0.786 150 P CB 0.224 30.914 31.700 -1.683 0.000 0.927 151 P HA 0.146 nan 4.420 nan 0.000 0.263 151 P C 0.636 177.911 177.300 -0.042 0.000 1.276 151 P CA 1.057 64.078 63.100 -0.132 0.000 0.986 151 P CB -0.410 31.241 31.700 -0.082 0.000 1.105 152 G N 1.426 110.217 108.800 -0.016 0.000 2.155 152 G HA2 -0.154 3.807 3.960 0.001 0.000 0.130 152 G HA3 -0.154 3.807 3.960 0.001 0.000 0.130 152 G C 0.187 175.153 174.900 0.110 0.000 1.027 152 G CA -0.625 44.523 45.100 0.080 0.000 0.705 152 G HN 0.402 nan 8.290 nan 0.000 0.496 153 T N 1.889 116.459 114.554 0.026 0.000 2.822 153 T HA 0.329 4.680 4.350 0.001 0.000 0.288 153 T C 0.677 175.385 174.700 0.013 0.000 0.991 153 T CA 0.869 62.995 62.100 0.044 0.000 1.176 153 T CB 0.932 69.806 68.868 0.010 0.000 0.951 153 T HN 0.480 nan 8.240 nan 0.000 0.526 154 E N 1.812 121.955 120.200 -0.096 0.000 2.342 154 E HA 0.279 4.630 4.350 0.001 0.000 0.257 154 E C 0.214 176.859 176.600 0.075 0.000 1.150 154 E CA -0.602 55.746 56.400 -0.088 0.000 0.926 154 E CB 0.603 30.169 29.700 -0.223 0.000 1.074 154 E HN 0.583 nan 8.360 nan 0.000 0.449 155 Q N 1.016 120.925 119.800 0.182 0.000 2.261 155 Q HA 0.049 4.390 4.340 0.001 0.000 0.252 155 Q C -1.134 175.139 176.000 0.455 0.000 0.915 155 Q CA -0.466 55.507 55.803 0.283 0.000 0.915 155 Q CB 0.593 29.440 28.738 0.182 0.000 1.204 155 Q HN 0.586 nan 8.270 nan 0.000 0.421 156 W N 4.733 126.163 121.300 0.217 0.000 2.666 156 W HA 0.441 5.102 4.660 0.001 0.000 0.365 156 W C -1.305 175.286 176.519 0.119 0.000 1.224 156 W CA -0.224 57.244 57.345 0.206 0.000 1.515 156 W CB 0.091 29.649 29.460 0.163 0.000 1.562 156 W HN 0.695 nan 8.180 nan 0.000 0.455 157 A N 5.044 127.963 122.820 0.164 0.000 2.422 157 A HA 0.241 4.562 4.320 0.001 0.000 0.302 157 A C 0.724 178.273 177.584 -0.057 0.000 1.041 157 A CA -0.693 51.390 52.037 0.077 0.000 0.708 157 A CB 1.899 20.960 19.000 0.102 0.000 1.257 157 A HN 0.696 nan 8.150 nan 0.000 0.414 158 K N 1.300 121.665 120.400 -0.059 0.000 2.147 158 K HA -0.187 4.134 4.320 0.001 0.000 0.205 158 K C 1.201 177.746 176.600 -0.091 0.000 1.049 158 K CA 2.115 58.336 56.287 -0.110 0.000 0.936 158 K CB -0.050 32.400 32.500 -0.083 0.000 0.722 158 K HN 0.883 nan 8.250 nan 0.000 0.446 159 D N 0.896 121.269 120.400 -0.045 0.000 2.144 159 D HA -0.154 4.486 4.640 0.001 0.000 0.199 159 D C 0.553 176.838 176.300 -0.025 0.000 0.984 159 D CA 0.734 54.717 54.000 -0.028 0.000 0.834 159 D CB -0.433 40.366 40.800 -0.002 0.000 0.955 159 D HN 0.214 nan 8.370 nan 0.000 0.465 160 A N 0.998 123.810 122.820 -0.015 0.000 2.540 160 A HA 0.193 4.513 4.320 0.001 0.000 0.239 160 A C 0.275 177.841 177.584 -0.029 0.000 1.061 160 A CA -0.007 52.045 52.037 0.024 0.000 0.758 160 A CB 0.275 19.345 19.000 0.117 0.000 0.991 160 A HN 0.058 nan 8.150 nan 0.000 0.502 161 R N 2.456 122.965 120.500 0.016 0.000 2.393 161 R HA 0.436 4.776 4.340 0.001 0.000 0.315 161 R C -3.011 173.317 176.300 0.046 0.000 0.952 161 R CA -1.904 54.188 56.100 -0.013 0.000 0.842 161 R CB 1.139 31.426 30.300 -0.021 0.000 1.163 161 R HN 0.468 nan 8.270 nan 0.000 0.450 162 P HA 0.312 nan 4.420 nan 0.000 0.279 162 P C -0.333 176.978 177.300 0.018 0.000 1.239 162 P CA -0.639 62.548 63.100 0.146 0.000 0.789 162 P CB 0.720 32.506 31.700 0.143 0.000 0.933 163 R N 0.954 121.471 120.500 0.028 0.000 2.583 163 R HA 0.240 4.581 4.340 0.001 0.000 0.268 163 R C 1.615 177.865 176.300 -0.084 0.000 1.101 163 R CA -0.221 55.852 56.100 -0.045 0.000 1.180 163 R CB -0.287 30.003 30.300 -0.016 0.000 1.128 163 R HN 0.522 nan 8.270 nan 0.000 0.568 164 H N 0.151 119.189 119.070 -0.053 0.000 2.456 164 H HA -0.070 4.486 4.556 0.001 0.000 0.296 164 H C 0.104 175.265 175.328 -0.278 0.000 1.079 164 H CA 1.545 57.538 56.048 -0.090 0.000 1.322 164 H CB 0.291 30.019 29.762 -0.056 0.000 1.388 164 H HN 0.532 nan 8.280 nan 0.000 0.538 165 D N -0.428 119.825 120.400 -0.244 0.000 2.363 165 D HA 0.051 4.692 4.640 0.001 0.000 0.214 165 D C 0.336 176.327 176.300 -0.514 0.000 1.093 165 D CA -0.017 53.597 54.000 -0.644 0.000 0.837 165 D CB 0.493 41.099 40.800 -0.324 0.000 0.948 165 D HN -0.011 nan 8.370 nan 0.000 0.507 166 S N 0.332 115.875 115.700 -0.262 0.000 2.584 166 S HA 0.282 4.753 4.470 0.001 0.000 0.270 166 S C -0.253 174.201 174.600 -0.243 0.000 1.346 166 S CA 0.005 58.095 58.200 -0.184 0.000 1.018 166 S CB 0.431 63.609 63.200 -0.037 0.000 0.899 166 S HN 0.040 nan 8.310 nan 0.000 0.542 167 F N 0.448 120.328 119.950 -0.118 0.000 2.551 167 F HA 0.448 4.975 4.527 0.001 0.000 0.316 167 F C -0.010 175.594 175.800 -0.326 0.000 1.089 167 F CA -0.690 57.297 58.000 -0.022 0.000 0.915 167 F CB 1.344 40.361 39.000 0.028 0.000 1.186 167 F HN 0.572 nan 8.300 nan 0.000 0.456 168 Y N -0.031 120.541 120.300 0.454 0.000 2.432 168 Y HA 0.348 4.898 4.550 0.001 0.000 0.252 168 Y C 1.546 177.739 175.900 0.488 0.000 1.097 168 Y CA 0.109 58.486 58.100 0.461 0.000 1.250 168 Y CB 0.875 39.585 38.460 0.416 0.000 1.245 168 Y HN 0.777 nan 8.280 nan 0.000 0.522 169 G N 0.485 109.568 108.800 0.472 0.000 2.131 169 G HA2 -0.195 3.766 3.960 0.001 0.000 0.223 169 G HA3 -0.195 3.766 3.960 0.001 0.000 0.223 169 G C 0.645 175.721 174.900 0.294 0.000 0.990 169 G CA -0.176 45.082 45.100 0.263 0.000 0.671 169 G HN 0.674 nan 8.290 nan 0.000 0.521 170 G N -0.042 109.048 108.800 0.483 0.000 2.594 170 G HA2 0.617 4.578 3.960 0.001 0.000 0.243 170 G HA3 0.617 4.578 3.960 0.001 0.000 0.243 170 G C -0.043 175.097 174.900 0.400 0.000 1.229 170 G CA 0.802 46.164 45.100 0.437 0.000 0.843 170 G HN 1.333 nan 8.290 nan 0.000 0.578 171 D N -1.143 119.454 120.400 0.328 0.000 2.710 171 D HA 0.119 4.760 4.640 0.001 0.000 0.276 171 D C 0.988 177.413 176.300 0.209 0.000 1.267 171 D CA -0.906 53.283 54.000 0.315 0.000 0.772 171 D CB 0.417 41.333 40.800 0.193 0.000 1.299 171 D HN 0.201 nan 8.370 nan 0.000 0.421 172 L N -0.748 120.571 121.223 0.159 0.000 2.083 172 L HA -0.104 4.237 4.340 0.001 0.000 0.209 172 L C 2.238 179.148 176.870 0.066 0.000 1.083 172 L CA 1.287 56.172 54.840 0.075 0.000 0.752 172 L CB -0.528 41.559 42.059 0.046 0.000 0.899 172 L HN 0.482 nan 8.230 nan 0.000 0.433 173 K N 0.895 121.327 120.400 0.053 0.000 2.148 173 K HA -0.089 4.231 4.320 0.001 0.000 0.204 173 K C 1.889 178.485 176.600 -0.008 0.000 1.050 173 K CA 1.468 57.761 56.287 0.010 0.000 0.942 173 K CB -0.618 31.879 32.500 -0.004 0.000 0.724 173 K HN 0.204 nan 8.250 nan 0.000 0.446 174 G N -0.199 108.607 108.800 0.010 0.000 2.403 174 G HA2 -0.134 3.827 3.960 0.001 0.000 0.216 174 G HA3 -0.134 3.827 3.960 0.001 0.000 0.216 174 G C 1.459 176.370 174.900 0.018 0.000 1.154 174 G CA 0.851 45.923 45.100 -0.048 0.000 0.784 174 G HN 0.180 nan 8.290 nan 0.000 0.538 175 V N 1.581 121.615 119.914 0.200 0.000 2.287 175 V HA -0.193 3.928 4.120 0.001 0.000 0.248 175 V C 2.762 178.936 176.094 0.134 0.000 1.053 175 V CA 1.479 63.970 62.300 0.318 0.000 1.027 175 V CB -0.549 31.478 31.823 0.340 0.000 0.646 175 V HN 0.388 nan 8.190 nan 0.000 0.447 176 I N 0.535 121.134 120.570 0.048 0.000 2.248 176 I HA -0.272 3.898 4.170 0.001 0.000 0.248 176 I C 2.271 178.367 176.117 -0.035 0.000 1.107 176 I CA 1.778 63.073 61.300 -0.008 0.000 1.373 176 I CB -0.560 37.421 38.000 -0.031 0.000 1.055 176 I HN 0.393 nan 8.210 nan 0.000 0.418 177 D N 0.557 120.914 120.400 -0.072 0.000 2.162 177 D HA -0.088 4.552 4.640 0.001 0.000 0.203 177 D C 2.068 178.267 176.300 -0.167 0.000 0.967 177 D CA 0.820 54.740 54.000 -0.133 0.000 0.840 177 D CB -0.209 40.472 40.800 -0.199 0.000 0.972 177 D HN 0.209 nan 8.370 nan 0.000 0.482 178 R N 0.664 121.063 120.500 -0.170 0.000 2.323 178 R HA 0.144 4.484 4.340 0.001 0.000 0.198 178 R C 2.279 178.631 176.300 0.088 0.000 0.988 178 R CA -0.141 55.859 56.100 -0.166 0.000 1.041 178 R CB -0.985 29.159 30.300 -0.261 0.000 0.926 178 R HN 0.289 nan 8.270 nan 0.000 0.476 179 L N 0.894 122.158 121.223 0.068 0.000 2.129 179 L HA -0.157 4.184 4.340 0.001 0.000 0.212 179 L C -0.689 176.219 176.870 0.063 0.000 1.087 179 L CA 1.544 56.424 54.840 0.066 0.000 0.757 179 L CB -1.142 40.929 42.059 0.020 0.000 0.896 179 L HN 0.108 nan 8.230 nan 0.000 0.434 180 P HA -0.183 nan 4.420 nan 0.000 0.223 180 P C 1.123 178.505 177.300 0.136 0.000 1.151 180 P CA 0.995 64.135 63.100 0.066 0.000 0.787 180 P CB -0.001 31.723 31.700 0.039 0.000 0.788 181 Y N 0.510 120.841 120.300 0.052 0.000 2.220 181 Y HA -0.103 4.448 4.550 0.001 0.000 0.291 181 Y C 1.890 177.882 175.900 0.153 0.000 1.129 181 Y CA 1.334 59.514 58.100 0.133 0.000 1.161 181 Y CB -0.909 37.662 38.460 0.186 0.000 0.997 181 Y HN -0.230 nan 8.280 nan 0.000 0.522 182 L N 0.188 121.477 121.223 0.111 0.000 2.046 182 L HA -0.208 4.132 4.340 0.001 0.000 0.208 182 L C 2.522 179.338 176.870 -0.089 0.000 1.077 182 L CA 1.979 56.760 54.840 -0.097 0.000 0.747 182 L CB -0.672 41.330 42.059 -0.094 0.000 0.896 182 L HN 0.261 nan 8.230 nan 0.000 0.432 183 E N 0.219 120.404 120.200 -0.025 0.000 2.110 183 E HA -0.266 4.085 4.350 0.001 0.000 0.193 183 E C 2.109 178.700 176.600 -0.015 0.000 0.988 183 E CA 1.097 57.485 56.400 -0.019 0.000 0.804 183 E CB 0.097 29.796 29.700 -0.002 0.000 0.745 183 E HN 0.428 nan 8.360 nan 0.000 0.458 184 E N 0.129 120.335 120.200 0.010 0.000 2.038 184 E HA -0.225 4.126 4.350 0.001 0.000 0.195 184 E C 2.216 178.800 176.600 -0.027 0.000 1.000 184 E CA 1.109 57.541 56.400 0.054 0.000 0.803 184 E CB -0.115 29.698 29.700 0.189 0.000 0.750 184 E HN 0.208 nan 8.360 nan 0.000 0.448 185 L N -0.139 121.019 121.223 -0.110 0.000 2.043 185 L HA -0.120 4.220 4.340 0.001 0.000 0.212 185 L C 1.524 178.291 176.870 -0.171 0.000 1.075 185 L CA 2.559 57.223 54.840 -0.292 0.000 0.752 185 L CB -0.407 41.475 42.059 -0.296 0.000 0.891 185 L HN 0.413 nan 8.230 nan 0.000 0.432 186 G N -1.706 107.042 108.800 -0.086 0.000 2.154 186 G HA2 -0.166 3.795 3.960 0.001 0.000 0.186 186 G HA3 -0.166 3.795 3.960 0.001 0.000 0.186 186 G C 0.310 175.239 174.900 0.049 0.000 1.000 186 G CA 0.278 45.372 45.100 -0.010 0.000 0.664 186 G HN 0.889 nan 8.290 nan 0.000 0.513 187 V N -1.752 118.166 119.914 0.007 0.000 3.287 187 V HA 0.747 4.868 4.120 0.001 0.000 0.306 187 V C 1.003 177.122 176.094 0.041 0.000 1.103 187 V CA 1.411 63.738 62.300 0.045 0.000 1.159 187 V CB 1.308 33.149 31.823 0.031 0.000 1.036 187 V HN 0.403 nan 8.190 nan 0.000 0.487 188 T N 1.458 116.052 114.554 0.066 0.000 3.058 188 T HA 0.717 5.067 4.350 0.001 0.000 0.278 188 T C 0.163 174.884 174.700 0.036 0.000 0.974 188 T CA 0.633 62.766 62.100 0.056 0.000 0.893 188 T CB 0.339 69.293 68.868 0.145 0.000 1.138 188 T HN 1.528 nan 8.240 nan 0.000 0.529 189 A N 0.962 123.804 122.820 0.035 0.000 2.597 189 A HA 0.724 5.044 4.320 0.001 0.000 0.292 189 A C -2.503 175.081 177.584 -0.001 0.000 1.057 189 A CA -0.632 51.420 52.037 0.026 0.000 0.674 189 A CB 0.950 20.038 19.000 0.147 0.000 1.278 189 A HN 0.111 nan 8.150 nan 0.000 0.416 190 L N 1.224 122.425 121.223 -0.037 0.000 2.386 190 L HA 0.655 4.995 4.340 0.001 0.000 0.271 190 L C -1.137 175.609 176.870 -0.206 0.000 0.993 190 L CA -0.342 54.391 54.840 -0.178 0.000 0.819 190 L CB 1.700 43.582 42.059 -0.295 0.000 1.294 190 L HN 0.750 nan 8.230 nan 0.000 0.414 191 Y N 3.974 124.067 120.300 -0.344 0.000 2.328 191 Y HA 0.654 5.204 4.550 0.001 0.000 0.336 191 Y C -1.572 174.135 175.900 -0.322 0.000 0.960 191 Y CA -1.634 56.365 58.100 -0.167 0.000 1.134 191 Y CB 1.009 39.498 38.460 0.048 0.000 1.166 191 Y HN 0.388 nan 8.280 nan 0.000 0.464 192 F N 4.284 123.938 119.950 -0.492 0.000 2.415 192 F HA 0.387 4.914 4.527 0.001 0.000 0.348 192 F C 0.836 176.161 175.800 -0.791 0.000 1.119 192 F CA -0.751 56.878 58.000 -0.618 0.000 1.069 192 F CB 1.419 40.185 39.000 -0.390 0.000 1.124 192 F HN 0.588 nan 8.300 nan 0.000 0.472 193 T N 1.382 115.558 114.554 -0.631 0.000 2.795 193 T HA 0.151 4.502 4.350 0.001 0.000 0.314 193 T C -2.516 171.943 174.700 -0.402 0.000 1.069 193 T CA -1.541 60.332 62.100 -0.379 0.000 1.071 193 T CB 0.218 68.896 68.868 -0.317 0.000 0.988 193 T HN 0.298 nan 8.240 nan 0.000 0.543 194 P HA 0.124 nan 4.420 nan 0.000 0.266 194 P C 0.653 177.649 177.300 -0.507 0.000 1.215 194 P CA -0.155 62.595 63.100 -0.582 0.000 0.763 194 P CB 0.078 31.379 31.700 -0.664 0.000 0.806 195 I N -0.945 119.287 120.570 -0.562 0.000 3.858 195 I HA 0.296 4.466 4.170 0.001 0.000 0.325 195 I C -0.450 175.700 176.117 0.055 0.000 1.403 195 I CA -0.312 60.754 61.300 -0.391 0.000 1.169 195 I CB -0.447 37.221 38.000 -0.553 0.000 1.077 195 I HN -0.112 nan 8.210 nan 0.000 0.403 196 F N 2.197 122.084 119.950 -0.105 0.000 2.440 196 F HA 0.657 5.185 4.527 0.001 0.000 0.328 196 F C 0.959 176.763 175.800 0.008 0.000 1.070 196 F CA -2.222 55.744 58.000 -0.058 0.000 1.011 196 F CB 1.471 40.416 39.000 -0.091 0.000 1.226 196 F HN -0.048 nan 8.300 nan 0.000 0.491 197 A N 1.908 124.859 122.820 0.218 0.000 2.513 197 A HA 0.383 4.704 4.320 0.001 0.000 0.274 197 A C 0.291 177.927 177.584 0.086 0.000 1.115 197 A CA 0.579 52.694 52.037 0.130 0.000 0.792 197 A CB -0.719 18.349 19.000 0.113 0.000 1.053 197 A HN 0.622 nan 8.150 nan 0.000 0.515 198 S N 3.422 119.157 115.700 0.059 0.000 2.549 198 S HA 0.746 5.217 4.470 0.001 0.000 0.280 198 S C -2.506 172.095 174.600 0.002 0.000 1.109 198 S CA -1.108 57.110 58.200 0.030 0.000 0.905 198 S CB 2.003 65.211 63.200 0.013 0.000 1.081 198 S HN 0.408 nan 8.310 nan 0.000 0.477 199 P HA 0.173 nan 4.420 nan 0.000 0.257 199 P C 0.151 177.420 177.300 -0.053 0.000 1.325 199 P CA 0.052 63.143 63.100 -0.015 0.000 0.850 199 P CB -0.115 31.596 31.700 0.018 0.000 1.324 200 S N -1.515 114.125 115.700 -0.100 0.000 2.751 200 S HA 0.318 4.789 4.470 0.001 0.000 0.310 200 S C 1.123 175.629 174.600 -0.157 0.000 1.128 200 S CA -0.613 57.477 58.200 -0.183 0.000 0.931 200 S CB 0.539 63.536 63.200 -0.339 0.000 1.177 200 S HN 0.012 nan 8.310 nan 0.000 0.530 201 H N 0.333 119.347 119.070 -0.093 0.000 2.462 201 H HA 0.031 4.587 4.556 0.001 0.000 0.292 201 H C 0.022 175.435 175.328 0.143 0.000 1.049 201 H CA 1.498 57.586 56.048 0.067 0.000 1.334 201 H CB -0.202 29.556 29.762 -0.006 0.000 1.404 201 H HN 0.815 nan 8.280 nan 0.000 0.544 202 H N -1.125 118.151 119.070 0.344 0.000 2.638 202 H HA 0.304 4.861 4.556 0.001 0.000 0.317 202 H C -0.292 175.194 175.328 0.262 0.000 1.006 202 H CA -1.056 55.212 56.048 0.367 0.000 1.222 202 H CB 0.842 30.849 29.762 0.409 0.000 1.419 202 H HN -0.249 nan 8.280 nan 0.000 0.489 203 K N 4.330 124.798 120.400 0.115 0.000 3.165 203 K HA 0.067 4.387 4.320 0.001 0.000 0.259 203 K C -0.678 175.841 176.600 -0.134 0.000 1.282 203 K CA -0.036 56.234 56.287 -0.027 0.000 1.259 203 K CB -0.498 31.987 32.500 -0.025 0.000 1.546 203 K HN 0.735 nan 8.250 nan 0.000 0.384 204 Y N 0.781 121.194 120.300 0.188 0.000 2.467 204 Y HA 0.017 4.568 4.550 0.001 0.000 0.250 204 Y C 0.062 176.048 175.900 0.143 0.000 1.155 204 Y CA -0.585 57.594 58.100 0.132 0.000 1.249 204 Y CB 0.626 39.162 38.460 0.126 0.000 1.146 204 Y HN 0.168 nan 8.280 nan 0.000 0.524 205 D N -0.385 120.156 120.400 0.236 0.000 2.404 205 D HA 0.150 4.790 4.640 0.001 0.000 0.267 205 D C -0.530 175.813 176.300 0.072 0.000 1.194 205 D CA -0.386 53.730 54.000 0.194 0.000 0.910 205 D CB 0.444 41.379 40.800 0.225 0.000 1.090 205 D HN -0.151 nan 8.370 nan 0.000 0.511 206 T N 0.694 115.225 114.554 -0.037 0.000 2.814 206 T HA 0.464 4.814 4.350 0.001 0.000 0.297 206 T C 1.248 175.903 174.700 -0.074 0.000 0.956 206 T CA -0.292 61.689 62.100 -0.200 0.000 1.123 206 T CB 1.792 70.261 68.868 -0.666 0.000 0.902 206 T HN 0.472 nan 8.240 nan 0.000 0.528 207 A N 2.616 125.451 122.820 0.026 0.000 1.920 207 A HA 0.213 4.534 4.320 0.001 0.000 0.209 207 A C 0.856 178.594 177.584 0.257 0.000 1.229 207 A CA 0.353 52.489 52.037 0.165 0.000 0.671 207 A CB 0.248 19.323 19.000 0.124 0.000 0.886 207 A HN 0.783 nan 8.150 nan 0.000 0.461 208 D N -2.485 118.019 120.400 0.174 0.000 2.934 208 D HA 0.392 5.033 4.640 0.001 0.000 0.230 208 D C -1.063 175.364 176.300 0.212 0.000 1.204 208 D CA -0.448 53.725 54.000 0.288 0.000 0.873 208 D CB 1.176 42.108 40.800 0.219 0.000 1.645 208 D HN 0.148 nan 8.370 nan 0.000 0.502 209 Y N 1.847 122.322 120.300 0.291 0.000 2.462 209 Y HA 0.239 4.789 4.550 0.001 0.000 0.261 209 Y C 1.621 177.491 175.900 -0.049 0.000 1.146 209 Y CA 0.163 58.345 58.100 0.137 0.000 1.283 209 Y CB 0.604 39.315 38.460 0.419 0.000 1.090 209 Y HN 0.307 nan 8.280 nan 0.000 0.526 210 L N -0.928 120.355 121.223 0.099 0.000 2.693 210 L HA 0.436 4.777 4.340 0.001 0.000 0.235 210 L C 0.646 177.584 176.870 0.114 0.000 1.127 210 L CA -0.220 54.497 54.840 -0.204 0.000 0.914 210 L CB 0.281 41.896 42.059 -0.739 0.000 1.193 210 L HN -0.011 nan 8.230 nan 0.000 0.502 211 A N 0.533 123.459 122.820 0.176 0.000 2.330 211 A HA 0.622 4.942 4.320 0.001 0.000 0.313 211 A C -0.434 177.292 177.584 0.236 0.000 1.124 211 A CA -0.585 51.587 52.037 0.224 0.000 0.774 211 A CB 0.747 19.832 19.000 0.142 0.000 1.198 211 A HN -0.002 nan 8.150 nan 0.000 0.465 212 I N 2.230 122.973 120.570 0.289 0.000 2.845 212 I HA -0.091 4.079 4.170 0.001 0.000 0.296 212 I C 1.009 177.256 176.117 0.216 0.000 1.216 212 I CA 0.654 62.099 61.300 0.242 0.000 1.438 212 I CB 0.295 38.431 38.000 0.226 0.000 1.342 212 I HN 0.646 nan 8.210 nan 0.000 0.577 213 D N 8.257 128.808 120.400 0.251 0.000 2.424 213 D HA 0.019 4.659 4.640 0.001 0.000 0.244 213 D C -1.679 174.641 176.300 0.034 0.000 1.134 213 D CA -1.201 52.877 54.000 0.130 0.000 0.881 213 D CB 1.432 42.291 40.800 0.098 0.000 1.191 213 D HN 0.249 nan 8.370 nan 0.000 0.445 214 P HA -0.204 nan 4.420 nan 0.000 0.218 214 P C 1.142 178.358 177.300 -0.141 0.000 1.152 214 P CA 1.500 64.566 63.100 -0.056 0.000 0.857 214 P CB 0.185 31.849 31.700 -0.059 0.000 0.787 215 Q N -2.199 117.415 119.800 -0.309 0.000 2.152 215 Q HA -0.179 4.161 4.340 0.001 0.000 0.206 215 Q C 1.599 177.386 176.000 -0.354 0.000 0.985 215 Q CA 1.443 56.979 55.803 -0.446 0.000 0.863 215 Q CB -0.488 27.757 28.738 -0.821 0.000 0.904 215 Q HN 0.352 nan 8.270 nan 0.000 0.422 216 F N -1.359 118.594 119.950 0.004 0.000 2.582 216 F HA 0.297 4.824 4.527 0.001 0.000 0.290 216 F C 1.353 177.162 175.800 0.015 0.000 1.115 216 F CA 0.692 58.697 58.000 0.008 0.000 1.445 216 F CB 0.393 39.384 39.000 -0.015 0.000 1.126 216 F HN 0.131 nan 8.300 nan 0.000 0.574 217 G N -0.239 108.658 108.800 0.161 0.000 2.366 217 G HA2 0.288 4.248 3.960 0.001 0.000 0.190 217 G HA3 0.288 4.248 3.960 0.001 0.000 0.190 217 G C -1.997 172.978 174.900 0.125 0.000 1.299 217 G CA -0.228 44.942 45.100 0.116 0.000 1.056 217 G HN 0.189 nan 8.290 nan 0.000 0.468 218 D N -1.323 119.159 120.400 0.137 0.000 2.664 218 D HA 0.553 5.194 4.640 0.001 0.000 0.292 218 D C 1.400 177.822 176.300 0.203 0.000 1.214 218 D CA -0.780 53.311 54.000 0.151 0.000 0.932 218 D CB 0.103 40.965 40.800 0.102 0.000 1.420 218 D HN 0.386 nan 8.370 nan 0.000 0.471 219 L N -0.519 120.825 121.223 0.202 0.000 2.013 219 L HA -0.075 4.266 4.340 0.001 0.000 0.212 219 L C -0.636 176.341 176.870 0.178 0.000 1.073 219 L CA 2.250 57.223 54.840 0.222 0.000 0.753 219 L CB -2.337 39.808 42.059 0.143 0.000 0.890 219 L HN 0.432 nan 8.230 nan 0.000 0.432 220 P HA -0.083 nan 4.420 nan 0.000 0.217 220 P C 1.677 179.008 177.300 0.052 0.000 1.150 220 P CA 1.276 64.414 63.100 0.062 0.000 0.832 220 P CB 0.037 31.761 31.700 0.040 0.000 0.787 221 T N -1.071 113.527 114.554 0.073 0.000 2.777 221 T HA -0.141 4.210 4.350 0.001 0.000 0.266 221 T C 1.461 176.184 174.700 0.038 0.000 1.040 221 T CA 0.934 63.063 62.100 0.049 0.000 1.141 221 T CB -1.021 67.887 68.868 0.067 0.000 0.868 221 T HN 0.011 nan 8.240 nan 0.000 0.444 222 F N 2.453 122.414 119.950 0.018 0.000 2.069 222 F HA -0.089 4.439 4.527 0.001 0.000 0.298 222 F C 2.567 178.362 175.800 -0.009 0.000 1.113 222 F CA 1.235 59.240 58.000 0.009 0.000 1.214 222 F CB -0.154 38.911 39.000 0.109 0.000 0.978 222 F HN -0.154 nan 8.300 nan 0.000 0.474 223 R N 0.397 120.907 120.500 0.017 0.000 2.103 223 R HA -0.217 4.123 4.340 0.001 0.000 0.242 223 R C 2.380 178.578 176.300 -0.171 0.000 1.142 223 R CA 1.821 57.876 56.100 -0.075 0.000 0.960 223 R CB -0.760 29.548 30.300 0.014 0.000 0.858 223 R HN 0.242 nan 8.270 nan 0.000 0.439 224 R N 0.663 121.086 120.500 -0.127 0.000 2.090 224 R HA -0.075 4.265 4.340 0.001 0.000 0.228 224 R C 2.153 178.344 176.300 -0.182 0.000 1.110 224 R CA 0.881 56.906 56.100 -0.125 0.000 0.973 224 R CB -0.773 29.482 30.300 -0.075 0.000 0.869 224 R HN 0.151 nan 8.270 nan 0.000 0.440 225 L N 0.024 121.102 121.223 -0.242 0.000 1.989 225 L HA -0.133 4.207 4.340 0.001 0.000 0.211 225 L C 1.966 178.618 176.870 -0.363 0.000 1.071 225 L CA 1.745 56.419 54.840 -0.277 0.000 0.749 225 L CB -0.890 40.965 42.059 -0.339 0.000 0.890 225 L HN 0.095 nan 8.230 nan 0.000 0.431 226 V N 0.123 119.707 119.914 -0.550 0.000 2.250 226 V HA -0.372 3.748 4.120 0.001 0.000 0.250 226 V C 2.335 178.064 176.094 -0.608 0.000 1.060 226 V CA 2.292 64.211 62.300 -0.634 0.000 1.030 226 V CB -0.846 30.639 31.823 -0.564 0.000 0.643 226 V HN 0.466 nan 8.190 nan 0.000 0.445 227 D N -1.189 118.998 120.400 -0.355 0.000 2.224 227 D HA -0.084 4.556 4.640 0.001 0.000 0.205 227 D C 2.323 178.543 176.300 -0.134 0.000 0.965 227 D CA 0.589 54.469 54.000 -0.200 0.000 0.852 227 D CB -0.090 40.634 40.800 -0.128 0.000 0.947 227 D HN 0.373 nan 8.370 nan 0.000 0.494 228 E N 0.226 120.340 120.200 -0.143 0.000 2.076 228 E HA 0.016 4.367 4.350 0.001 0.000 0.190 228 E C 2.007 178.558 176.600 -0.081 0.000 0.979 228 E CA 0.587 56.931 56.400 -0.093 0.000 0.807 228 E CB -0.148 29.502 29.700 -0.083 0.000 0.761 228 E HN 0.176 nan 8.360 nan 0.000 0.454 229 A N 0.805 123.552 122.820 -0.121 0.000 1.858 229 A HA -0.196 4.125 4.320 0.001 0.000 0.216 229 A C 1.897 179.469 177.584 -0.019 0.000 1.190 229 A CA 1.690 53.679 52.037 -0.080 0.000 0.617 229 A CB -1.111 17.826 19.000 -0.106 0.000 0.827 229 A HN 0.370 nan 8.150 nan 0.000 0.443 230 H N -1.019 117.993 119.070 -0.096 0.000 2.422 230 H HA -0.090 4.467 4.556 0.001 0.000 0.298 230 H C 2.307 177.583 175.328 -0.086 0.000 1.098 230 H CA 1.009 56.995 56.048 -0.104 0.000 1.315 230 H CB 0.010 29.710 29.762 -0.102 0.000 1.382 230 H HN 0.362 nan 8.280 nan 0.000 0.523 231 R N 0.624 121.149 120.500 0.041 0.000 2.148 231 R HA -0.053 4.287 4.340 0.001 0.000 0.227 231 R C 1.840 178.132 176.300 -0.014 0.000 1.103 231 R CA 0.868 56.970 56.100 0.002 0.000 0.983 231 R CB 0.060 30.353 30.300 -0.012 0.000 0.874 231 R HN 0.397 nan 8.270 nan 0.000 0.451 232 R N -1.245 119.246 120.500 -0.015 0.000 2.290 232 R HA 0.103 4.443 4.340 0.001 0.000 0.197 232 R C 0.910 177.189 176.300 -0.035 0.000 0.913 232 R CA 0.598 56.683 56.100 -0.023 0.000 1.040 232 R CB 0.817 31.105 30.300 -0.021 0.000 0.992 232 R HN 0.319 nan 8.270 nan 0.000 0.500 233 G N 1.197 109.975 108.800 -0.037 0.000 2.138 233 G HA2 -0.201 3.759 3.960 0.001 0.000 0.193 233 G HA3 -0.201 3.759 3.960 0.001 0.000 0.193 233 G C -0.089 174.768 174.900 -0.073 0.000 0.998 233 G CA -0.520 44.540 45.100 -0.067 0.000 0.668 233 G HN 0.124 nan 8.290 nan 0.000 0.516 234 I N 0.692 121.238 120.570 -0.041 0.000 2.460 234 I HA 0.572 4.743 4.170 0.001 0.000 0.298 234 I C 0.229 176.341 176.117 -0.009 0.000 0.989 234 I CA -0.927 60.348 61.300 -0.042 0.000 1.173 234 I CB 1.633 39.612 38.000 -0.035 0.000 1.338 234 I HN -0.170 nan 8.210 nan 0.000 0.456 235 K N 5.297 125.658 120.400 -0.065 0.000 2.258 235 K HA 0.656 4.977 4.320 0.001 0.000 0.236 235 K C -0.983 175.628 176.600 0.018 0.000 1.008 235 K CA -0.754 55.489 56.287 -0.074 0.000 0.869 235 K CB 2.191 34.467 32.500 -0.373 0.000 1.171 235 K HN 0.316 nan 8.250 nan 0.000 0.447 236 I N 2.615 123.232 120.570 0.078 0.000 2.468 236 I HA 0.409 4.580 4.170 0.001 0.000 0.285 236 I C -0.271 175.954 176.117 0.180 0.000 1.039 236 I CA -0.558 60.838 61.300 0.160 0.000 1.074 236 I CB 1.017 39.094 38.000 0.127 0.000 1.228 236 I HN 0.450 nan 8.210 nan 0.000 0.436 237 I N 6.313 127.028 120.570 0.242 0.000 2.530 237 I HA 0.504 4.675 4.170 0.001 0.000 0.297 237 I C -0.925 175.366 176.117 0.291 0.000 1.011 237 I CA -0.913 60.542 61.300 0.258 0.000 1.107 237 I CB 2.714 40.968 38.000 0.423 0.000 1.285 237 I HN 0.247 nan 8.210 nan 0.000 0.436 238 L N 4.248 125.547 121.223 0.128 0.000 2.408 238 L HA 0.408 4.749 4.340 0.001 0.000 0.268 238 L C -0.693 176.222 176.870 0.076 0.000 0.986 238 L CA -0.322 54.523 54.840 0.009 0.000 0.820 238 L CB 1.855 43.725 42.059 -0.314 0.000 1.303 238 L HN 0.430 nan 8.230 nan 0.000 0.411 239 D N 2.291 122.691 120.400 0.000 0.000 2.425 239 D HA 0.494 5.135 4.640 0.001 0.000 0.247 239 D C -0.576 175.643 176.300 -0.136 0.000 1.147 239 D CA 0.379 54.379 54.000 0.000 0.000 0.879 239 D CB 1.127 41.878 40.800 -0.082 0.000 1.179 239 D HN 0.623 nan 8.370 nan 0.000 0.456 240 A N 3.366 126.112 122.820 -0.122 0.000 2.285 240 A HA 0.429 4.749 4.320 0.001 0.000 0.310 240 A C -0.440 176.802 177.584 -0.570 0.000 1.266 240 A CA -0.720 51.021 52.037 -0.494 0.000 0.832 240 A CB 1.002 19.477 19.000 -0.874 0.000 1.163 240 A HN 0.410 nan 8.150 nan 0.000 0.499 241 V N 4.233 123.926 119.914 -0.369 0.000 2.584 241 V HA 0.093 4.213 4.120 0.001 0.000 0.319 241 V C 0.299 176.357 176.094 -0.060 0.000 1.363 241 V CA -0.003 62.164 62.300 -0.222 0.000 1.518 241 V CB -1.338 30.367 31.823 -0.196 0.000 1.514 241 V HN 0.831 nan 8.190 nan 0.000 0.553 242 F N 1.107 121.052 119.950 -0.008 0.000 2.546 242 F HA -0.040 4.487 4.527 0.001 0.000 0.298 242 F C 2.108 177.788 175.800 -0.200 0.000 1.120 242 F CA 0.793 58.722 58.000 -0.118 0.000 1.456 242 F CB -1.000 37.888 39.000 -0.185 0.000 1.088 242 F HN 0.449 nan 8.300 nan 0.000 0.572 243 N N 0.047 118.750 118.700 0.004 0.000 2.331 243 N HA -0.120 4.621 4.740 0.001 0.000 0.180 243 N C -0.002 175.599 175.510 0.150 0.000 1.019 243 N CA 0.870 53.957 53.050 0.063 0.000 0.881 243 N CB -0.082 38.521 38.487 0.193 0.000 0.972 243 N HN 0.488 nan 8.380 nan 0.000 0.435 244 H N -3.670 115.482 119.070 0.137 0.000 3.037 244 H HA 0.793 5.349 4.556 0.001 0.000 0.355 244 H C -1.176 174.236 175.328 0.140 0.000 1.263 244 H CA -0.839 55.300 56.048 0.151 0.000 1.129 244 H CB 1.094 30.962 29.762 0.176 0.000 1.861 244 H HN 0.008 nan 8.280 nan 0.000 0.546 245 A N 0.932 123.875 122.820 0.206 0.000 2.464 245 A HA 0.882 5.202 4.320 0.001 0.000 0.268 245 A C 0.213 177.867 177.584 0.117 0.000 1.244 245 A CA -0.601 51.478 52.037 0.069 0.000 0.871 245 A CB 0.787 19.743 19.000 -0.073 0.000 1.400 245 A HN 1.089 nan 8.150 nan 0.000 0.455 246 G N -1.134 107.725 108.800 0.098 0.000 2.461 246 G HA2 0.436 4.396 3.960 0.001 0.000 0.329 246 G HA3 0.436 4.396 3.960 0.001 0.000 0.329 246 G C 0.178 175.177 174.900 0.165 0.000 1.170 246 G CA 0.465 45.646 45.100 0.135 0.000 0.935 246 G HN 0.734 nan 8.290 nan 0.000 0.492 247 D N -0.530 119.971 120.400 0.168 0.000 2.312 247 D HA -0.109 4.532 4.640 0.001 0.000 0.211 247 D C 1.261 177.780 176.300 0.364 0.000 0.964 247 D CA 0.672 54.868 54.000 0.326 0.000 0.877 247 D CB 0.187 41.176 40.800 0.314 0.000 0.924 247 D HN 0.220 nan 8.370 nan 0.000 0.515 248 Q N -0.290 119.656 119.800 0.243 0.000 2.365 248 Q HA 0.115 4.455 4.340 0.001 0.000 0.203 248 Q C -0.124 176.016 176.000 0.233 0.000 0.929 248 Q CA -0.427 55.489 55.803 0.188 0.000 0.948 248 Q CB -0.626 28.192 28.738 0.135 0.000 1.043 248 Q HN 0.302 nan 8.270 nan 0.000 0.505 249 F N 1.941 121.972 119.950 0.135 0.000 2.572 249 F HA -0.046 4.482 4.527 0.001 0.000 0.370 249 F C 1.271 177.087 175.800 0.027 0.000 1.103 249 F CA -1.272 56.805 58.000 0.129 0.000 1.286 249 F CB 0.315 39.419 39.000 0.173 0.000 1.105 249 F HN 0.102 nan 8.300 nan 0.000 0.583 250 F N 4.169 123.815 119.950 -0.507 0.000 2.115 250 F HA -0.189 4.338 4.527 0.001 0.000 0.300 250 F C 1.755 177.181 175.800 -0.622 0.000 1.092 250 F CA 1.701 59.406 58.000 -0.492 0.000 1.245 250 F CB -1.492 37.224 39.000 -0.473 0.000 0.995 250 F HN 0.390 nan 8.300 nan 0.000 0.481 251 A N -0.124 121.575 122.820 -1.867 0.000 1.929 251 A HA -0.058 4.262 4.320 0.001 0.000 0.216 251 A C 2.119 179.436 177.584 -0.444 0.000 1.176 251 A CA 1.273 52.316 52.037 -1.657 0.000 0.628 251 A CB -1.435 16.390 19.000 -1.957 0.000 0.816 251 A HN 0.517 nan 8.150 nan 0.000 0.444 252 F N 0.359 120.105 119.950 -0.340 0.000 2.163 252 F HA 0.021 4.549 4.527 0.001 0.000 0.297 252 F C 2.260 177.895 175.800 -0.274 0.000 1.094 252 F CA 1.246 58.993 58.000 -0.420 0.000 1.290 252 F CB -0.375 38.313 39.000 -0.520 0.000 1.017 252 F HN 0.119 nan 8.300 nan 0.000 0.483 253 R N 0.271 120.563 120.500 -0.346 0.000 2.094 253 R HA -0.241 4.100 4.340 0.001 0.000 0.239 253 R C 2.048 178.201 176.300 -0.245 0.000 1.137 253 R CA 2.208 58.139 56.100 -0.282 0.000 0.943 253 R CB -0.790 29.434 30.300 -0.126 0.000 0.850 253 R HN 0.324 nan 8.270 nan 0.000 0.433 254 D N -0.610 119.685 120.400 -0.175 0.000 2.116 254 D HA -0.176 4.464 4.640 0.001 0.000 0.193 254 D C 1.866 178.126 176.300 -0.067 0.000 0.998 254 D CA 1.750 55.721 54.000 -0.049 0.000 0.836 254 D CB 0.061 40.948 40.800 0.145 0.000 0.951 254 D HN 0.181 nan 8.370 nan 0.000 0.449 255 V N -0.715 119.139 119.914 -0.102 0.000 2.407 255 V HA -0.192 3.929 4.120 0.001 0.000 0.248 255 V C 2.235 178.231 176.094 -0.163 0.000 1.055 255 V CA 1.437 63.699 62.300 -0.063 0.000 1.049 255 V CB -0.783 31.080 31.823 0.065 0.000 0.662 255 V HN 0.284 nan 8.190 nan 0.000 0.455 256 L N -0.547 120.457 121.223 -0.366 0.000 2.093 256 L HA -0.093 4.248 4.340 0.001 0.000 0.208 256 L C 3.010 179.786 176.870 -0.156 0.000 1.085 256 L CA 1.636 56.289 54.840 -0.312 0.000 0.755 256 L CB -0.568 41.231 42.059 -0.432 0.000 0.904 256 L HN 0.322 nan 8.230 nan 0.000 0.435 257 Q N 0.080 119.798 119.800 -0.137 0.000 2.230 257 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 257 Q C 1.467 177.424 176.000 -0.072 0.000 0.963 257 Q CA 1.363 57.115 55.803 -0.085 0.000 0.866 257 Q CB 0.293 28.990 28.738 -0.068 0.000 0.931 257 Q HN 0.443 nan 8.270 nan 0.000 0.452 258 K N -1.777 118.575 120.400 -0.081 0.000 2.517 258 K HA 0.246 4.567 4.320 0.001 0.000 0.210 258 K C 0.722 177.232 176.600 -0.150 0.000 1.166 258 K CA 0.398 56.628 56.287 -0.095 0.000 1.030 258 K CB 1.414 33.863 32.500 -0.086 0.000 0.974 258 K HN 0.186 nan 8.250 nan 0.000 0.585 259 G N 2.949 111.660 108.800 -0.149 0.000 2.614 259 G HA2 -0.422 3.539 3.960 0.001 0.000 0.303 259 G HA3 -0.422 3.539 3.960 0.001 0.000 0.303 259 G C 0.912 175.387 174.900 -0.708 0.000 1.270 259 G CA 0.810 45.679 45.100 -0.385 0.000 0.988 259 G HN 0.374 nan 8.290 nan 0.000 0.551 260 E N 0.318 119.867 120.200 -1.085 0.000 2.204 260 E HA -0.172 4.178 4.350 0.001 0.000 0.195 260 E C 2.225 178.635 176.600 -0.316 0.000 0.990 260 E CA 1.965 57.935 56.400 -0.716 0.000 0.821 260 E CB -0.440 28.925 29.700 -0.559 0.000 0.750 260 E HN 0.611 nan 8.360 nan 0.000 0.477 261 Q N 1.299 120.944 119.800 -0.258 0.000 2.297 261 Q HA -0.005 4.335 4.340 0.001 0.000 0.208 261 Q C 0.957 176.869 176.000 -0.147 0.000 0.981 261 Q CA 0.856 56.561 55.803 -0.164 0.000 0.876 261 Q CB -0.288 28.370 28.738 -0.133 0.000 0.921 261 Q HN 0.197 nan 8.270 nan 0.000 0.446 262 S N -0.098 115.514 115.700 -0.146 0.000 2.549 262 S HA 0.029 4.500 4.470 0.001 0.000 0.286 262 S C 1.027 175.522 174.600 -0.175 0.000 1.314 262 S CA -0.447 57.686 58.200 -0.111 0.000 1.062 262 S CB 0.710 63.902 63.200 -0.014 0.000 0.865 262 S HN 0.221 nan 8.310 nan 0.000 0.498 263 R N 3.607 123.890 120.500 -0.362 0.000 2.235 263 R HA 0.046 4.387 4.340 0.001 0.000 0.213 263 R C 0.361 176.292 176.300 -0.614 0.000 1.059 263 R CA 1.661 57.434 56.100 -0.546 0.000 0.997 263 R CB -0.443 29.346 30.300 -0.852 0.000 0.884 263 R HN 0.822 nan 8.270 nan 0.000 0.462 264 Y N 0.088 120.238 120.300 -0.249 0.000 2.467 264 Y HA 0.202 4.752 4.550 0.001 0.000 0.250 264 Y C 1.467 177.348 175.900 -0.033 0.000 1.155 264 Y CA -0.112 57.706 58.100 -0.469 0.000 1.249 264 Y CB 0.029 38.078 38.460 -0.685 0.000 1.146 264 Y HN 0.082 nan 8.280 nan 0.000 0.524 265 K N 0.011 120.546 120.400 0.224 0.000 2.034 265 K HA -0.219 4.102 4.320 0.001 0.000 0.214 265 K C 0.577 177.392 176.600 0.359 0.000 1.051 265 K CA 2.276 58.804 56.287 0.402 0.000 0.931 265 K CB -0.382 32.381 32.500 0.439 0.000 0.715 265 K HN 0.134 nan 8.250 nan 0.000 0.446 266 D N -0.383 120.160 120.400 0.239 0.000 2.363 266 D HA -0.070 4.571 4.640 0.001 0.000 0.226 266 D C 0.969 177.318 176.300 0.081 0.000 1.020 266 D CA 0.440 54.520 54.000 0.133 0.000 0.892 266 D CB -0.143 40.709 40.800 0.086 0.000 0.900 266 D HN 0.378 nan 8.370 nan 0.000 0.531 267 W N 0.263 121.413 121.300 -0.250 0.000 2.611 267 W HA 0.045 4.706 4.660 0.001 0.000 0.251 267 W C 0.336 176.367 176.519 -0.812 0.000 1.265 267 W CA 0.159 57.152 57.345 -0.588 0.000 1.295 267 W CB -0.292 28.674 29.460 -0.823 0.000 1.129 267 W HN -0.166 nan 8.180 nan 0.000 0.630 268 F N -2.327 117.745 119.950 0.203 0.000 2.675 268 F HA 0.403 4.931 4.527 0.001 0.000 0.324 268 F C -0.693 175.155 175.800 0.080 0.000 1.106 268 F CA -2.073 56.053 58.000 0.210 0.000 0.970 268 F CB 0.271 39.446 39.000 0.291 0.000 1.385 268 F HN -0.529 nan 8.300 nan 0.000 0.489 269 F N 2.309 122.447 119.950 0.314 0.000 2.318 269 F HA 0.479 5.006 4.527 0.001 0.000 0.356 269 F C -0.295 175.605 175.800 0.166 0.000 1.109 269 F CA -0.303 57.809 58.000 0.188 0.000 1.234 269 F CB 0.052 39.136 39.000 0.141 0.000 1.545 269 F HN 0.036 nan 8.300 nan 0.000 0.534 270 I N 1.744 122.431 120.570 0.195 0.000 2.440 270 I HA 0.196 4.366 4.170 0.001 0.000 0.294 270 I C 1.003 177.099 176.117 -0.035 0.000 0.995 270 I CA 0.205 61.514 61.300 0.016 0.000 1.306 270 I CB 1.414 39.155 38.000 -0.431 0.000 1.407 270 I HN 0.514 nan 8.210 nan 0.000 0.501 271 E N 3.205 123.402 120.200 -0.005 0.000 2.048 271 E HA 0.008 4.358 4.350 0.001 0.000 0.193 271 E C -0.347 176.242 176.600 -0.019 0.000 0.956 271 E CA 0.308 56.717 56.400 0.016 0.000 0.846 271 E CB 0.186 29.905 29.700 0.032 0.000 0.827 271 E HN 0.682 nan 8.360 nan 0.000 0.466 272 D N 0.247 120.639 120.400 -0.013 0.000 2.185 272 D HA 0.205 4.845 4.640 0.001 0.000 0.247 272 D C -0.853 175.442 176.300 -0.010 0.000 1.027 272 D CA -0.444 53.571 54.000 0.024 0.000 0.861 272 D CB 1.411 42.251 40.800 0.066 0.000 1.202 272 D HN -0.123 nan 8.370 nan 0.000 0.453 273 F N 1.077 121.075 119.950 0.081 0.000 2.379 273 F HA 0.314 4.841 4.527 0.001 0.000 0.332 273 F C -1.344 174.485 175.800 0.049 0.000 1.096 273 F CA -1.589 56.449 58.000 0.063 0.000 1.105 273 F CB 0.732 39.760 39.000 0.046 0.000 1.189 273 F HN 0.135 nan 8.300 nan 0.000 0.515 274 P HA 0.137 nan 4.420 nan 0.000 0.279 274 P C -0.712 176.707 177.300 0.199 0.000 1.239 274 P CA -0.313 62.941 63.100 0.257 0.000 0.789 274 P CB 1.259 33.041 31.700 0.136 0.000 0.933 275 V N 2.369 122.404 119.914 0.201 0.000 2.356 275 V HA -0.051 4.069 4.120 0.001 0.000 0.244 275 V C 1.450 177.640 176.094 0.160 0.000 1.120 275 V CA 0.492 62.871 62.300 0.132 0.000 1.181 275 V CB -0.999 30.824 31.823 -0.001 0.000 1.244 275 V HN 0.699 nan 8.190 nan 0.000 0.487 276 S N 5.255 121.070 115.700 0.192 0.000 3.455 276 S HA 0.078 4.549 4.470 0.001 0.000 0.288 276 S C 0.520 175.260 174.600 0.234 0.000 1.231 276 S CA -0.457 57.841 58.200 0.163 0.000 1.031 276 S CB -0.559 62.711 63.200 0.116 0.000 1.570 276 S HN 0.741 nan 8.310 nan 0.000 0.519 277 K N 3.887 124.431 120.400 0.239 0.000 2.336 277 K HA 0.213 4.534 4.320 0.001 0.000 0.290 277 K C 0.033 176.721 176.600 0.147 0.000 1.067 277 K CA 0.198 56.637 56.287 0.253 0.000 0.962 277 K CB -0.069 32.579 32.500 0.246 0.000 1.008 277 K HN 0.710 nan 8.250 nan 0.000 0.467 278 T N -0.756 113.876 114.554 0.130 0.000 2.711 278 T HA 0.135 4.485 4.350 0.001 0.000 0.302 278 T C 0.908 175.649 174.700 0.069 0.000 1.373 278 T CA -0.765 61.385 62.100 0.083 0.000 1.000 278 T CB 1.036 69.943 68.868 0.064 0.000 1.483 278 T HN 0.243 nan 8.240 nan 0.000 0.499 279 S N 0.094 115.822 115.700 0.046 0.000 2.381 279 S HA -0.137 4.334 4.470 0.001 0.000 0.230 279 S C 1.200 175.801 174.600 0.001 0.000 1.052 279 S CA 1.299 59.513 58.200 0.024 0.000 1.068 279 S CB -0.522 62.687 63.200 0.016 0.000 0.918 279 S HN 0.654 nan 8.310 nan 0.000 0.448 280 R N 2.953 123.456 120.500 0.005 0.000 2.242 280 R HA 0.136 4.476 4.340 0.001 0.000 0.334 280 R C -0.790 175.486 176.300 -0.039 0.000 1.071 280 R CA 0.128 56.217 56.100 -0.019 0.000 0.922 280 R CB 0.125 30.423 30.300 -0.004 0.000 1.023 280 R HN 0.196 nan 8.270 nan 0.000 0.458 281 T N 3.699 118.182 114.554 -0.120 0.000 2.899 281 T HA 0.086 4.436 4.350 0.001 0.000 0.295 281 T C 0.831 175.426 174.700 -0.175 0.000 1.033 281 T CA -0.546 61.393 62.100 -0.268 0.000 1.084 281 T CB 0.597 69.200 68.868 -0.441 0.000 0.979 281 T HN 0.695 nan 8.240 nan 0.000 0.532 282 N N 0.132 118.735 118.700 -0.162 0.000 2.390 282 N HA 0.077 4.817 4.740 0.001 0.000 0.259 282 N C -0.974 174.585 175.510 0.082 0.000 1.395 282 N CA -0.603 52.438 53.050 -0.014 0.000 0.852 282 N CB 0.028 38.557 38.487 0.070 0.000 1.371 282 N HN 0.711 nan 8.380 nan 0.000 0.491 283 Y N -1.663 118.651 120.300 0.024 0.000 2.638 283 Y HA 0.654 5.204 4.550 0.001 0.000 0.339 283 Y C -0.081 175.836 175.900 0.029 0.000 1.084 283 Y CA -1.426 56.704 58.100 0.050 0.000 1.068 283 Y CB 0.545 39.059 38.460 0.090 0.000 1.294 283 Y HN -0.200 nan 8.280 nan 0.000 0.480 284 E N 0.982 121.248 120.200 0.110 0.000 2.366 284 E HA 0.408 4.758 4.350 0.001 0.000 0.266 284 E C -0.360 176.217 176.600 -0.039 0.000 1.051 284 E CA 0.124 56.490 56.400 -0.057 0.000 0.884 284 E CB 1.252 30.834 29.700 -0.198 0.000 1.006 284 E HN 0.822 nan 8.360 nan 0.000 0.417 285 T N -1.363 113.117 114.554 -0.122 0.000 2.693 285 T HA 0.212 4.562 4.350 0.001 0.000 0.278 285 T C 0.574 175.220 174.700 -0.091 0.000 0.994 285 T CA -0.780 61.272 62.100 -0.079 0.000 1.033 285 T CB 0.334 69.120 68.868 -0.137 0.000 1.342 285 T HN 0.397 nan 8.240 nan 0.000 0.538 286 F N 1.280 121.098 119.950 -0.221 0.000 2.102 286 F HA 0.248 4.775 4.527 0.001 0.000 0.298 286 F C 1.979 177.645 175.800 -0.223 0.000 1.105 286 F CA 1.922 59.712 58.000 -0.350 0.000 1.239 286 F CB -0.898 37.696 39.000 -0.677 0.000 0.991 286 F HN 0.756 nan 8.300 nan 0.000 0.474 287 A N -1.051 121.245 122.820 -0.874 0.000 2.008 287 A HA 0.340 4.661 4.320 0.001 0.000 0.201 287 A C 1.816 179.185 177.584 -0.359 0.000 1.794 287 A CA 0.751 52.381 52.037 -0.679 0.000 0.952 287 A CB -0.510 18.001 19.000 -0.816 0.000 1.147 287 A HN 0.139 nan 8.150 nan 0.000 0.589 288 V N -0.352 119.398 119.914 -0.274 0.000 2.599 288 V HA 0.183 4.304 4.120 0.001 0.000 0.237 288 V C 0.282 176.274 176.094 -0.169 0.000 1.081 288 V CA 0.749 62.934 62.300 -0.191 0.000 1.107 288 V CB -0.111 31.621 31.823 -0.152 0.000 0.808 288 V HN 0.512 nan 8.190 nan 0.000 0.486 289 Q N -0.010 119.699 119.800 -0.152 0.000 2.263 289 Q HA 0.584 4.924 4.340 0.001 0.000 0.266 289 Q C -1.825 174.111 176.000 -0.106 0.000 1.002 289 Q CA -0.047 55.670 55.803 -0.142 0.000 0.790 289 Q CB 3.061 31.734 28.738 -0.108 0.000 1.272 289 Q HN 0.227 nan 8.270 nan 0.000 0.435 290 V N 3.696 123.555 119.914 -0.091 0.000 2.881 290 V HA 0.121 4.241 4.120 0.001 0.000 0.254 290 V C -2.152 173.949 176.094 0.012 0.000 0.880 290 V CA -0.841 61.454 62.300 -0.009 0.000 0.926 290 V CB 1.635 33.487 31.823 0.049 0.000 1.033 290 V HN 0.524 nan 8.190 nan 0.000 0.501 291 P HA -0.143 nan 4.420 nan 0.000 0.218 291 P C 1.380 178.804 177.300 0.206 0.000 1.146 291 P CA 1.690 64.870 63.100 0.134 0.000 0.813 291 P CB 0.365 32.152 31.700 0.146 0.000 0.778 292 A N -2.052 120.861 122.820 0.156 0.000 2.259 292 A HA 0.165 4.486 4.320 0.001 0.000 0.208 292 A C 0.959 178.624 177.584 0.135 0.000 1.201 292 A CA 0.551 52.684 52.037 0.160 0.000 0.824 292 A CB -0.756 18.351 19.000 0.179 0.000 0.838 292 A HN 0.130 nan 8.150 nan 0.000 0.485 293 M N 1.344 121.010 119.600 0.110 0.000 2.542 293 M HA 0.218 4.698 4.480 0.001 0.000 0.273 293 M C -2.969 173.388 176.300 0.094 0.000 1.296 293 M CA -1.468 53.906 55.300 0.123 0.000 0.631 293 M CB 2.102 34.764 32.600 0.102 0.000 1.747 293 M HN -0.046 nan 8.290 nan 0.000 0.378 294 P HA 0.043 nan 4.420 nan 0.000 0.269 294 P C -0.898 176.533 177.300 0.217 0.000 1.215 294 P CA 0.002 63.134 63.100 0.052 0.000 0.780 294 P CB 0.964 32.312 31.700 -0.587 0.000 0.898 295 K N 2.295 122.869 120.400 0.289 0.000 2.276 295 K HA 0.218 4.539 4.320 0.001 0.000 0.283 295 K C -0.424 176.461 176.600 0.473 0.000 1.044 295 K CA -0.691 55.787 56.287 0.318 0.000 0.944 295 K CB 0.235 32.806 32.500 0.119 0.000 1.012 295 K HN 0.273 nan 8.250 nan 0.000 0.472 296 L N 3.846 125.273 121.223 0.340 0.000 2.371 296 L HA 0.215 4.555 4.340 0.001 0.000 0.272 296 L C 0.646 177.622 176.870 0.177 0.000 1.124 296 L CA 0.265 55.219 54.840 0.190 0.000 0.816 296 L CB 0.862 42.927 42.059 0.011 0.000 1.129 296 L HN 0.579 nan 8.230 nan 0.000 0.448 297 R N 0.703 121.179 120.500 -0.040 0.000 2.891 297 R HA 0.114 4.455 4.340 0.001 0.000 0.248 297 R C 0.930 177.088 176.300 -0.236 0.000 1.439 297 R CA 0.373 56.373 56.100 -0.167 0.000 1.288 297 R CB -0.065 29.916 30.300 -0.532 0.000 1.212 297 R HN 0.831 nan 8.270 nan 0.000 0.605 298 T N -0.617 113.813 114.554 -0.207 0.000 2.946 298 T HA -0.136 4.215 4.350 0.001 0.000 0.271 298 T C 0.966 175.543 174.700 -0.206 0.000 1.104 298 T CA 1.309 63.205 62.100 -0.339 0.000 1.114 298 T CB -0.104 68.380 68.868 -0.640 0.000 0.867 298 T HN 0.636 nan 8.240 nan 0.000 0.513 299 E N 1.254 121.366 120.200 -0.146 0.000 2.158 299 E HA 0.007 4.357 4.350 0.001 0.000 0.191 299 E C 0.914 177.424 176.600 -0.151 0.000 0.982 299 E CA 0.038 56.377 56.400 -0.101 0.000 0.823 299 E CB -0.084 29.585 29.700 -0.052 0.000 0.766 299 E HN 0.446 nan 8.360 nan 0.000 0.468 300 N N 1.603 120.170 118.700 -0.222 0.000 2.468 300 N HA -0.016 4.725 4.740 0.001 0.000 0.265 300 N C -2.031 173.309 175.510 -0.283 0.000 1.199 300 N CA -1.531 51.371 53.050 -0.247 0.000 0.928 300 N CB 1.270 39.569 38.487 -0.313 0.000 1.059 300 N HN -0.230 nan 8.380 nan 0.000 0.467 301 P HA -0.067 nan 4.420 nan 0.000 0.220 301 P C 0.531 177.675 177.300 -0.260 0.000 1.148 301 P CA 1.206 64.175 63.100 -0.218 0.000 0.803 301 P CB 0.374 31.993 31.700 -0.134 0.000 0.782 302 E N -0.468 119.569 120.200 -0.272 0.000 2.028 302 E HA -0.083 4.267 4.350 0.001 0.000 0.190 302 E C 2.027 178.253 176.600 -0.622 0.000 0.984 302 E CA 1.079 57.321 56.400 -0.264 0.000 0.800 302 E CB -0.885 28.780 29.700 -0.058 0.000 0.758 302 E HN 0.049 nan 8.360 nan 0.000 0.448 303 V N 2.471 121.739 119.914 -1.076 0.000 2.231 303 V HA -0.334 3.786 4.120 0.001 0.000 0.248 303 V C 2.552 178.301 176.094 -0.574 0.000 1.054 303 V CA 2.244 63.904 62.300 -1.067 0.000 1.015 303 V CB -0.715 30.580 31.823 -0.881 0.000 0.638 303 V HN 0.251 nan 8.190 nan 0.000 0.444 304 K N -0.283 119.823 120.400 -0.490 0.000 2.015 304 K HA -0.293 4.027 4.320 0.001 0.000 0.216 304 K C 2.271 178.418 176.600 -0.756 0.000 1.052 304 K CA 2.175 58.116 56.287 -0.576 0.000 0.937 304 K CB -0.246 31.905 32.500 -0.583 0.000 0.719 304 K HN 0.383 nan 8.250 nan 0.000 0.446 305 E N -0.196 119.710 120.200 -0.490 0.000 2.153 305 E HA -0.183 4.168 4.350 0.001 0.000 0.194 305 E C 1.801 178.361 176.600 -0.067 0.000 0.988 305 E CA 0.869 57.123 56.400 -0.243 0.000 0.811 305 E CB -0.357 29.282 29.700 -0.102 0.000 0.746 305 E HN 0.400 nan 8.360 nan 0.000 0.466 306 Y N 1.425 121.623 120.300 -0.170 0.000 2.053 306 Y HA -0.258 4.292 4.550 0.001 0.000 0.277 306 Y C 2.268 178.105 175.900 -0.105 0.000 1.159 306 Y CA 1.977 60.044 58.100 -0.056 0.000 1.125 306 Y CB -0.424 38.027 38.460 -0.015 0.000 0.969 306 Y HN -0.027 nan 8.280 nan 0.000 0.492 307 L N -1.579 119.639 121.223 -0.008 0.000 2.191 307 L HA -0.209 4.131 4.340 0.001 0.000 0.212 307 L C 2.160 178.966 176.870 -0.106 0.000 1.103 307 L CA 0.613 55.281 54.840 -0.286 0.000 0.769 307 L CB -0.752 40.894 42.059 -0.688 0.000 0.908 307 L HN 0.172 nan 8.230 nan 0.000 0.438 308 F N 0.616 120.420 119.950 -0.244 0.000 2.186 308 F HA -0.176 4.351 4.527 0.001 0.000 0.299 308 F C 2.415 178.174 175.800 -0.069 0.000 1.090 308 F CA 0.748 58.663 58.000 -0.142 0.000 1.307 308 F CB -0.844 38.071 39.000 -0.142 0.000 1.019 308 F HN 0.152 nan 8.300 nan 0.000 0.489 309 D N 0.056 120.495 120.400 0.065 0.000 2.117 309 D HA -0.119 4.522 4.640 0.001 0.000 0.198 309 D C 2.582 178.887 176.300 0.009 0.000 0.982 309 D CA 1.017 55.004 54.000 -0.020 0.000 0.828 309 D CB -0.396 40.300 40.800 -0.172 0.000 0.967 309 D HN 0.063 nan 8.370 nan 0.000 0.464 310 V N 1.773 121.671 119.914 -0.025 0.000 2.282 310 V HA -0.304 3.817 4.120 0.001 0.000 0.249 310 V C 2.599 179.015 176.094 0.536 0.000 1.057 310 V CA 2.042 64.469 62.300 0.212 0.000 1.032 310 V CB -0.837 31.137 31.823 0.252 0.000 0.645 310 V HN 0.188 nan 8.190 nan 0.000 0.447 311 A N -0.243 122.822 122.820 0.409 0.000 1.877 311 A HA -0.233 4.087 4.320 0.001 0.000 0.216 311 A C 2.359 180.306 177.584 0.605 0.000 1.186 311 A CA 1.908 54.304 52.037 0.598 0.000 0.620 311 A CB -0.518 18.648 19.000 0.278 0.000 0.822 311 A HN 0.527 nan 8.150 nan 0.000 0.443 312 R N -1.923 118.771 120.500 0.322 0.000 2.083 312 R HA -0.169 4.171 4.340 0.001 0.000 0.237 312 R C 2.037 178.473 176.300 0.226 0.000 1.137 312 R CA 1.714 57.946 56.100 0.221 0.000 0.951 312 R CB -0.663 29.713 30.300 0.126 0.000 0.851 312 R HN 0.569 nan 8.270 nan 0.000 0.434 313 F N 0.180 120.139 119.950 0.015 0.000 2.065 313 F HA -0.252 4.275 4.527 0.001 0.000 0.298 313 F C 1.744 177.392 175.800 -0.254 0.000 1.112 313 F CA 1.607 59.482 58.000 -0.207 0.000 1.212 313 F CB -0.361 38.389 39.000 -0.418 0.000 0.975 313 F HN 0.034 nan 8.300 nan 0.000 0.476 314 W N -0.251 121.283 121.300 0.389 0.000 2.467 314 W HA -0.094 4.566 4.660 0.001 0.000 0.275 314 W C 2.355 178.980 176.519 0.177 0.000 1.239 314 W CA 0.755 58.250 57.345 0.249 0.000 1.266 314 W CB -0.425 29.294 29.460 0.431 0.000 1.112 314 W HN -0.004 nan 8.180 nan 0.000 0.576 315 M N -0.032 119.806 119.600 0.396 0.000 2.394 315 M HA -0.136 4.344 4.480 0.001 0.000 0.264 315 M C 1.863 178.239 176.300 0.128 0.000 1.073 315 M CA 1.166 56.620 55.300 0.257 0.000 1.111 315 M CB -0.334 32.434 32.600 0.281 0.000 1.401 315 M HN -0.080 nan 8.290 nan 0.000 0.448 316 E N 0.629 120.846 120.200 0.029 0.000 2.051 316 E HA -0.220 4.130 4.350 0.001 0.000 0.192 316 E C 1.946 178.510 176.600 -0.061 0.000 0.991 316 E CA 1.353 57.718 56.400 -0.059 0.000 0.799 316 E CB -0.400 29.189 29.700 -0.185 0.000 0.748 316 E HN 0.502 nan 8.360 nan 0.000 0.449 317 Q N -0.490 119.260 119.800 -0.085 0.000 2.234 317 Q HA -0.058 4.283 4.340 0.001 0.000 0.206 317 Q C 1.130 177.216 176.000 0.144 0.000 0.980 317 Q CA 1.411 57.253 55.803 0.065 0.000 0.869 317 Q CB -0.160 28.730 28.738 0.254 0.000 0.912 317 Q HN 0.497 nan 8.270 nan 0.000 0.436 318 G N 0.126 109.025 108.800 0.166 0.000 2.173 318 G HA2 -0.186 3.774 3.960 0.001 0.000 0.174 318 G HA3 -0.186 3.774 3.960 0.001 0.000 0.174 318 G C 0.074 175.104 174.900 0.217 0.000 1.025 318 G CA 0.010 45.213 45.100 0.172 0.000 0.706 318 G HN 0.405 nan 8.290 nan 0.000 0.499 319 I N -2.338 118.364 120.570 0.219 0.000 2.662 319 I HA 0.666 4.836 4.170 0.001 0.000 0.291 319 I C 0.281 176.461 176.117 0.105 0.000 1.046 319 I CA -0.353 61.049 61.300 0.169 0.000 1.361 319 I CB 0.964 39.036 38.000 0.120 0.000 1.429 319 I HN -0.028 nan 8.210 nan 0.000 0.558 320 D N 3.220 123.673 120.400 0.087 0.000 2.463 320 D HA 0.507 5.147 4.640 0.001 0.000 0.224 320 D C 0.273 176.672 176.300 0.164 0.000 1.174 320 D CA 0.002 54.049 54.000 0.078 0.000 0.829 320 D CB 0.887 41.646 40.800 -0.068 0.000 0.993 320 D HN 0.964 nan 8.370 nan 0.000 0.497 321 G N -0.219 108.607 108.800 0.044 0.000 2.316 321 G HA2 0.347 4.308 3.960 0.001 0.000 0.296 321 G HA3 0.347 4.308 3.960 0.001 0.000 0.296 321 G C -2.131 172.688 174.900 -0.136 0.000 1.399 321 G CA -1.209 43.960 45.100 0.114 0.000 0.833 321 G HN 0.053 nan 8.290 nan 0.000 0.565 322 W N -0.285 121.152 121.300 0.228 0.000 2.936 322 W HA 0.804 5.465 4.660 0.001 0.000 0.338 322 W C -0.056 176.461 176.519 -0.002 0.000 1.121 322 W CA -0.928 56.524 57.345 0.177 0.000 1.209 322 W CB 2.311 31.956 29.460 0.308 0.000 1.420 322 W HN 0.449 nan 8.180 nan 0.000 0.516 323 R N 3.199 123.772 120.500 0.122 0.000 2.435 323 R HA 0.510 4.850 4.340 0.001 0.000 0.308 323 R C -1.490 174.675 176.300 -0.224 0.000 0.975 323 R CA -0.629 55.333 56.100 -0.232 0.000 0.867 323 R CB 0.666 30.715 30.300 -0.417 0.000 1.171 323 R HN 0.708 nan 8.270 nan 0.000 0.470 324 L N 2.576 123.546 121.223 -0.422 0.000 2.325 324 L HA 0.456 4.796 4.340 0.001 0.000 0.279 324 L C 0.559 177.164 176.870 -0.442 0.000 1.054 324 L CA -0.504 54.064 54.840 -0.454 0.000 0.804 324 L CB 1.324 42.917 42.059 -0.778 0.000 1.200 324 L HN 0.376 nan 8.230 nan 0.000 0.436 325 D N 1.644 121.877 120.400 -0.278 0.000 2.278 325 D HA 0.246 4.886 4.640 0.001 0.000 0.245 325 D C 0.120 176.354 176.300 -0.111 0.000 1.052 325 D CA -0.451 53.453 54.000 -0.160 0.000 0.834 325 D CB 2.205 42.996 40.800 -0.014 0.000 1.194 325 D HN 0.365 nan 8.370 nan 0.000 0.481 326 V N 3.152 122.996 119.914 -0.117 0.000 5.325 326 V HA -0.323 3.798 4.120 0.001 0.000 0.291 326 V C 1.695 177.735 176.094 -0.091 0.000 0.541 326 V CA 1.025 63.293 62.300 -0.053 0.000 0.687 326 V CB -2.281 29.652 31.823 0.183 0.000 0.491 326 V HN 0.732 nan 8.190 nan 0.000 1.145 327 A N 1.356 123.988 122.820 -0.314 0.000 2.019 327 A HA -0.180 4.140 4.320 0.001 0.000 0.219 327 A C 1.832 179.331 177.584 -0.142 0.000 1.164 327 A CA 1.957 53.774 52.037 -0.366 0.000 0.644 327 A CB -0.388 18.037 19.000 -0.958 0.000 0.805 327 A HN 1.075 nan 8.150 nan 0.000 0.449 328 N N -0.062 118.447 118.700 -0.319 0.000 2.467 328 N HA -0.038 4.702 4.740 0.001 0.000 0.184 328 N C 0.785 176.363 175.510 0.112 0.000 1.106 328 N CA 1.003 53.956 53.050 -0.162 0.000 0.892 328 N CB -0.384 37.855 38.487 -0.413 0.000 0.969 328 N HN 0.633 nan 8.380 nan 0.000 0.454 329 E N 0.002 120.260 120.200 0.096 0.000 2.463 329 E HA 0.077 4.428 4.350 0.001 0.000 0.193 329 E C -0.157 176.513 176.600 0.117 0.000 1.041 329 E CA -0.217 56.248 56.400 0.108 0.000 0.879 329 E CB 0.712 30.457 29.700 0.075 0.000 0.997 329 E HN 0.285 nan 8.360 nan 0.000 0.478 330 V N 0.409 120.435 119.914 0.187 0.000 2.715 330 V HA 0.225 4.345 4.120 0.001 0.000 0.310 330 V C -0.619 175.575 176.094 0.167 0.000 1.054 330 V CA -1.152 61.198 62.300 0.084 0.000 0.928 330 V CB 1.856 33.569 31.823 -0.184 0.000 1.007 330 V HN 0.059 nan 8.190 nan 0.000 0.437 331 D N 2.884 123.296 120.400 0.018 0.000 2.368 331 D HA 0.023 4.664 4.640 0.001 0.000 0.240 331 D C 0.543 176.923 176.300 0.133 0.000 1.169 331 D CA 0.223 54.264 54.000 0.069 0.000 0.906 331 D CB 0.843 41.686 40.800 0.072 0.000 1.187 331 D HN 0.785 nan 8.370 nan 0.000 0.435 332 H N 0.583 119.790 119.070 0.228 0.000 2.389 332 H HA 0.003 4.559 4.556 0.001 0.000 0.299 332 H C 2.133 177.572 175.328 0.185 0.000 1.081 332 H CA 1.886 58.077 56.048 0.238 0.000 1.345 332 H CB -0.144 29.656 29.762 0.063 0.000 1.393 332 H HN 0.623 nan 8.280 nan 0.000 0.520 333 A N 1.002 123.955 122.820 0.222 0.000 1.859 333 A HA -0.273 4.048 4.320 0.001 0.000 0.217 333 A C 2.149 179.806 177.584 0.122 0.000 1.198 333 A CA 1.859 53.979 52.037 0.137 0.000 0.629 333 A CB -1.252 17.801 19.000 0.089 0.000 0.830 333 A HN 0.453 nan 8.150 nan 0.000 0.446 334 F N -0.813 119.085 119.950 -0.088 0.000 2.063 334 F HA -0.304 4.223 4.527 0.001 0.000 0.298 334 F C 2.114 177.863 175.800 -0.085 0.000 1.105 334 F CA 2.442 60.320 58.000 -0.203 0.000 1.215 334 F CB -0.517 38.147 39.000 -0.561 0.000 0.972 334 F HN 0.448 nan 8.300 nan 0.000 0.483 335 W N -0.011 121.557 121.300 0.447 0.000 2.402 335 W HA -0.030 4.630 4.660 0.001 0.000 0.286 335 W C 2.626 179.303 176.519 0.263 0.000 1.221 335 W CA 0.719 58.320 57.345 0.427 0.000 1.257 335 W CB -0.449 29.293 29.460 0.469 0.000 1.120 335 W HN -0.157 nan 8.180 nan 0.000 0.551 336 R N 0.572 121.259 120.500 0.312 0.000 2.081 336 R HA -0.141 4.199 4.340 0.001 0.000 0.235 336 R C 1.833 178.199 176.300 0.110 0.000 1.131 336 R CA 1.730 57.931 56.100 0.167 0.000 0.960 336 R CB -0.307 30.056 30.300 0.104 0.000 0.856 336 R HN 0.300 nan 8.270 nan 0.000 0.436 337 E N -0.488 119.772 120.200 0.101 0.000 2.158 337 E HA -0.144 4.207 4.350 0.001 0.000 0.191 337 E C 1.574 178.123 176.600 -0.085 0.000 0.982 337 E CA 0.545 56.976 56.400 0.051 0.000 0.823 337 E CB -0.087 29.695 29.700 0.136 0.000 0.766 337 E HN 0.180 nan 8.360 nan 0.000 0.468 338 F N 2.436 122.225 119.950 -0.267 0.000 2.095 338 F HA -0.225 4.303 4.527 0.001 0.000 0.298 338 F C 2.377 178.074 175.800 -0.171 0.000 1.104 338 F CA 1.738 59.471 58.000 -0.446 0.000 1.232 338 F CB -0.147 38.760 39.000 -0.155 0.000 0.987 338 F HN -0.198 nan 8.300 nan 0.000 0.475 339 R N 0.246 120.760 120.500 0.024 0.000 2.097 339 R HA -0.251 4.089 4.340 0.001 0.000 0.236 339 R C 2.598 178.831 176.300 -0.113 0.000 1.135 339 R CA 2.080 58.166 56.100 -0.024 0.000 0.934 339 R CB -0.557 29.793 30.300 0.083 0.000 0.846 339 R HN 0.285 nan 8.270 nan 0.000 0.431 340 R N 0.292 120.740 120.500 -0.086 0.000 2.112 340 R HA -0.224 4.117 4.340 0.001 0.000 0.242 340 R C 2.356 178.568 176.300 -0.146 0.000 1.137 340 R CA 2.070 58.117 56.100 -0.089 0.000 0.944 340 R CB -0.596 29.667 30.300 -0.061 0.000 0.857 340 R HN 0.287 nan 8.270 nan 0.000 0.435 341 L N 0.456 121.521 121.223 -0.262 0.000 1.933 341 L HA -0.206 4.134 4.340 0.001 0.000 0.220 341 L C 2.264 178.984 176.870 -0.250 0.000 1.078 341 L CA 1.913 56.560 54.840 -0.321 0.000 0.773 341 L CB -0.929 40.766 42.059 -0.608 0.000 0.890 341 L HN 0.087 nan 8.230 nan 0.000 0.434 342 V N 0.052 119.748 119.914 -0.364 0.000 2.324 342 V HA -0.317 3.803 4.120 0.001 0.000 0.250 342 V C 2.625 178.677 176.094 -0.070 0.000 1.060 342 V CA 2.075 64.251 62.300 -0.206 0.000 1.042 342 V CB -0.776 30.822 31.823 -0.375 0.000 0.650 342 V HN 0.474 nan 8.190 nan 0.000 0.450 343 K N 0.182 120.534 120.400 -0.080 0.000 2.365 343 K HA 0.023 4.344 4.320 0.001 0.000 0.197 343 K C 2.326 178.923 176.600 -0.005 0.000 1.042 343 K CA 1.231 57.510 56.287 -0.012 0.000 0.987 343 K CB -0.142 32.356 32.500 -0.004 0.000 0.779 343 K HN 0.701 nan 8.250 nan 0.000 0.484 344 S N 0.710 116.393 115.700 -0.027 0.000 2.406 344 S HA 0.004 4.474 4.470 0.001 0.000 0.224 344 S C 2.159 176.760 174.600 0.002 0.000 1.030 344 S CA 0.333 58.525 58.200 -0.012 0.000 0.958 344 S CB -0.450 62.736 63.200 -0.024 0.000 0.811 344 S HN 0.120 nan 8.310 nan 0.000 0.489 345 L N 1.063 122.286 121.223 -0.000 0.000 2.027 345 L HA 0.156 4.496 4.340 0.001 0.000 0.206 345 L C 0.860 177.757 176.870 0.045 0.000 1.074 345 L CA 0.937 55.791 54.840 0.024 0.000 0.745 345 L CB -0.477 41.604 42.059 0.037 0.000 0.898 345 L HN 0.340 nan 8.230 nan 0.000 0.433 346 N N -1.222 117.513 118.700 0.059 0.000 2.549 346 N HA 0.212 4.952 4.740 0.001 0.000 0.281 346 N C -2.249 173.312 175.510 0.085 0.000 1.084 346 N CA -1.834 51.260 53.050 0.073 0.000 0.862 346 N CB 1.868 40.413 38.487 0.096 0.000 1.333 346 N HN -0.288 nan 8.380 nan 0.000 0.523 347 P HA -0.016 nan 4.420 nan 0.000 0.217 347 P C 0.176 177.553 177.300 0.129 0.000 1.150 347 P CA 1.037 64.187 63.100 0.084 0.000 0.832 347 P CB 0.380 32.122 31.700 0.070 0.000 0.787 348 D N -0.677 119.826 120.400 0.173 0.000 2.363 348 D HA 0.057 4.697 4.640 0.001 0.000 0.226 348 D C 0.719 177.275 176.300 0.428 0.000 1.020 348 D CA 0.260 54.449 54.000 0.315 0.000 0.892 348 D CB -0.110 40.893 40.800 0.338 0.000 0.900 348 D HN 0.108 nan 8.370 nan 0.000 0.531 349 A N 1.154 124.142 122.820 0.280 0.000 2.488 349 A HA 0.181 4.502 4.320 0.001 0.000 0.249 349 A C 0.037 177.811 177.584 0.317 0.000 1.083 349 A CA -0.245 51.970 52.037 0.297 0.000 0.768 349 A CB 0.261 19.396 19.000 0.224 0.000 1.017 349 A HN 0.160 nan 8.150 nan 0.000 0.496 350 L N 3.197 124.654 121.223 0.390 0.000 2.350 350 L HA 0.530 4.870 4.340 0.001 0.000 0.275 350 L C -0.284 176.727 176.870 0.235 0.000 1.099 350 L CA 0.184 55.185 54.840 0.269 0.000 0.808 350 L CB 0.754 43.004 42.059 0.319 0.000 1.149 350 L HN 0.577 nan 8.230 nan 0.000 0.442 351 I N 5.849 126.510 120.570 0.153 0.000 2.502 351 I HA 0.274 4.444 4.170 0.001 0.000 0.276 351 I C -0.729 175.325 176.117 -0.106 0.000 1.057 351 I CA -0.607 60.779 61.300 0.143 0.000 1.163 351 I CB 1.257 39.415 38.000 0.263 0.000 1.288 351 I HN 0.216 nan 8.210 nan 0.000 0.479 352 V N 4.270 123.974 119.914 -0.349 0.000 2.644 352 V HA 0.611 4.731 4.120 0.001 0.000 0.295 352 V C 0.905 176.479 176.094 -0.868 0.000 1.053 352 V CA -0.346 61.549 62.300 -0.674 0.000 0.987 352 V CB 1.603 32.715 31.823 -1.184 0.000 1.006 352 V HN 0.778 nan 8.190 nan 0.000 0.472 353 G N 1.995 110.216 108.800 -0.966 0.000 2.491 353 G HA2 0.609 4.569 3.960 0.001 0.000 0.327 353 G HA3 0.609 4.569 3.960 0.001 0.000 0.327 353 G C -0.871 173.515 174.900 -0.858 0.000 1.189 353 G CA -0.407 43.967 45.100 -1.210 0.000 0.956 353 G HN 0.704 nan 8.290 nan 0.000 0.491 354 E N 0.115 119.800 120.200 -0.859 0.000 2.255 354 E HA 0.477 4.827 4.350 0.001 0.000 0.245 354 E C -1.100 174.813 176.600 -1.145 0.000 0.909 354 E CA -0.395 55.444 56.400 -0.935 0.000 0.747 354 E CB 0.591 29.837 29.700 -0.758 0.000 1.215 354 E HN 0.296 nan 8.360 nan 0.000 0.424 355 I N 3.668 123.552 120.570 -1.143 0.000 2.478 355 I HA 0.272 4.443 4.170 0.001 0.000 0.287 355 I C -0.629 174.992 176.117 -0.827 0.000 1.042 355 I CA -0.482 60.202 61.300 -1.026 0.000 1.067 355 I CB 1.352 38.784 38.000 -0.947 0.000 1.233 355 I HN 0.592 nan 8.210 nan 0.000 0.431 356 W N 6.269 127.262 121.300 -0.512 0.000 2.960 356 W HA 0.267 4.928 4.660 0.001 0.000 0.442 356 W C 0.127 176.350 176.519 -0.494 0.000 0.774 356 W CA -0.460 56.488 57.345 -0.662 0.000 2.207 356 W CB -0.116 29.049 29.460 -0.491 0.000 1.159 356 W HN 0.602 nan 8.180 nan 0.000 0.845 357 H N -3.497 115.572 119.070 -0.001 0.000 2.950 357 H HA 0.183 4.740 4.556 0.001 0.000 0.307 357 H C -1.329 174.218 175.328 0.364 0.000 1.403 357 H CA -1.784 54.397 56.048 0.222 0.000 1.145 357 H CB 0.220 30.086 29.762 0.172 0.000 1.844 357 H HN -0.159 nan 8.280 nan 0.000 0.515 358 D N 0.188 120.975 120.400 0.644 0.000 2.570 358 D HA 0.269 4.909 4.640 0.001 0.000 0.243 358 D C 0.721 177.468 176.300 0.744 0.000 1.171 358 D CA 0.984 55.342 54.000 0.597 0.000 0.879 358 D CB 0.487 41.510 40.800 0.372 0.000 1.143 358 D HN 0.782 nan 8.370 nan 0.000 0.511 359 A N 3.142 126.395 122.820 0.722 0.000 2.337 359 A HA 0.053 4.373 4.320 0.001 0.000 0.227 359 A C 2.053 179.979 177.584 0.570 0.000 1.259 359 A CA 0.480 52.887 52.037 0.617 0.000 0.870 359 A CB -0.441 18.642 19.000 0.139 0.000 0.927 359 A HN 0.610 nan 8.150 nan 0.000 0.497 360 S N -0.171 115.881 115.700 0.587 0.000 2.387 360 S HA -0.161 4.310 4.470 0.001 0.000 0.230 360 S C 2.015 176.682 174.600 0.112 0.000 1.035 360 S CA 1.631 60.063 58.200 0.387 0.000 1.014 360 S CB -1.156 62.270 63.200 0.377 0.000 0.836 360 S HN 0.710 nan 8.310 nan 0.000 0.466 361 G N 0.429 109.178 108.800 -0.084 0.000 2.469 361 G HA2 -0.178 3.783 3.960 0.001 0.000 0.220 361 G HA3 -0.178 3.783 3.960 0.001 0.000 0.220 361 G C 1.248 175.865 174.900 -0.471 0.000 1.136 361 G CA 0.879 45.705 45.100 -0.457 0.000 0.759 361 G HN 0.647 nan 8.290 nan 0.000 0.562 362 W N -0.200 121.050 121.300 -0.084 0.000 2.640 362 W HA 0.331 4.991 4.660 0.001 0.000 0.268 362 W C 1.295 177.601 176.519 -0.356 0.000 1.263 362 W CA -0.070 57.053 57.345 -0.370 0.000 1.344 362 W CB -0.179 28.971 29.460 -0.517 0.000 1.093 362 W HN 0.065 nan 8.180 nan 0.000 0.603 363 L N 0.867 122.088 121.223 -0.003 0.000 2.928 363 L HA 0.118 4.458 4.340 0.001 0.000 0.236 363 L C 1.472 178.375 176.870 0.055 0.000 1.290 363 L CA -0.253 54.590 54.840 0.004 0.000 1.099 363 L CB -0.299 41.674 42.059 -0.143 0.000 1.437 363 L HN -0.191 nan 8.230 nan 0.000 0.493 364 M N -0.297 119.233 119.600 -0.117 0.000 2.509 364 M HA 0.210 4.691 4.480 0.001 0.000 0.250 364 M C 1.473 177.559 176.300 -0.358 0.000 1.132 364 M CA 0.732 55.963 55.300 -0.115 0.000 1.080 364 M CB 0.287 32.825 32.600 -0.104 0.000 1.408 364 M HN 0.345 nan 8.290 nan 0.000 0.484 365 G N -0.410 107.830 108.800 -0.933 0.000 2.231 365 G HA2 -0.230 3.730 3.960 0.001 0.000 0.206 365 G HA3 -0.230 3.730 3.960 0.001 0.000 0.206 365 G C 0.601 175.121 174.900 -0.633 0.000 0.996 365 G CA 0.495 44.754 45.100 -1.403 0.000 0.645 365 G HN 0.517 nan 8.290 nan 0.000 0.498 366 D N 0.085 120.260 120.400 -0.375 0.000 2.380 366 D HA 0.146 4.786 4.640 0.001 0.000 0.212 366 D C 1.934 178.165 176.300 -0.116 0.000 1.021 366 D CA 1.092 54.979 54.000 -0.188 0.000 0.884 366 D CB -0.303 40.429 40.800 -0.114 0.000 1.001 366 D HN 0.488 nan 8.370 nan 0.000 0.506 367 Q N -0.804 118.900 119.800 -0.160 0.000 2.042 367 Q HA 0.216 4.557 4.340 0.001 0.000 0.194 367 Q C -0.097 175.885 176.000 -0.029 0.000 0.978 367 Q CA 0.639 56.373 55.803 -0.114 0.000 0.828 367 Q CB 0.263 28.809 28.738 -0.320 0.000 0.901 367 Q HN 0.132 nan 8.270 nan 0.000 0.461 368 F N -0.101 119.851 119.950 0.003 0.000 2.618 368 F HA 0.282 4.809 4.527 0.001 0.000 0.332 368 F C 0.493 176.300 175.800 0.010 0.000 1.061 368 F CA -1.630 56.359 58.000 -0.018 0.000 0.974 368 F CB 0.863 39.795 39.000 -0.113 0.000 1.310 368 F HN -0.095 nan 8.300 nan 0.000 0.491 369 D N -0.441 120.118 120.400 0.264 0.000 2.269 369 D HA 0.070 4.710 4.640 0.001 0.000 0.220 369 D C 0.516 176.934 176.300 0.196 0.000 0.962 369 D CA 1.157 55.336 54.000 0.298 0.000 0.884 369 D CB 0.269 41.160 40.800 0.152 0.000 1.023 369 D HN 0.419 nan 8.370 nan 0.000 0.484 370 S N -0.668 115.034 115.700 0.004 0.000 2.794 370 S HA 0.705 5.176 4.470 0.001 0.000 0.299 370 S C -0.572 173.887 174.600 -0.236 0.000 1.179 370 S CA -0.777 57.351 58.200 -0.121 0.000 0.838 370 S CB 2.104 65.207 63.200 -0.162 0.000 1.206 370 S HN 0.037 nan 8.310 nan 0.000 0.523 371 V N -2.657 117.093 119.914 -0.273 0.000 3.181 371 V HA 0.680 4.800 4.120 0.001 0.000 0.308 371 V C -0.869 175.072 176.094 -0.254 0.000 1.214 371 V CA -1.378 60.720 62.300 -0.337 0.000 1.053 371 V CB 1.647 33.317 31.823 -0.256 0.000 1.069 371 V HN 0.877 nan 8.190 nan 0.000 0.441 372 M N 3.120 122.576 119.600 -0.239 0.000 2.217 372 M HA 0.327 4.807 4.480 0.001 0.000 0.352 372 M C 0.101 176.539 176.300 0.231 0.000 1.376 372 M CA 0.086 55.393 55.300 0.012 0.000 1.107 372 M CB -0.585 32.084 32.600 0.116 0.000 1.723 372 M HN 0.856 nan 8.290 nan 0.000 0.461 373 N N 3.608 122.451 118.700 0.239 0.000 2.663 373 N HA 0.009 4.750 4.740 0.001 0.000 0.250 373 N C 0.531 176.262 175.510 0.368 0.000 1.129 373 N CA -0.073 53.133 53.050 0.260 0.000 0.995 373 N CB -0.005 38.565 38.487 0.137 0.000 1.324 373 N HN 0.523 nan 8.380 nan 0.000 0.512 374 Y N 2.104 122.609 120.300 0.341 0.000 2.242 374 Y HA -0.047 4.503 4.550 0.001 0.000 0.291 374 Y C 1.368 177.392 175.900 0.208 0.000 1.137 374 Y CA 0.598 58.853 58.100 0.258 0.000 1.181 374 Y CB -0.315 38.288 38.460 0.237 0.000 0.989 374 Y HN 0.233 nan 8.280 nan 0.000 0.527 375 L N 0.065 121.022 121.223 -0.444 0.000 2.083 375 L HA -0.138 4.202 4.340 0.001 0.000 0.209 375 L C 2.390 179.252 176.870 -0.012 0.000 1.083 375 L CA 1.364 55.996 54.840 -0.347 0.000 0.752 375 L CB -1.669 40.175 42.059 -0.358 0.000 0.899 375 L HN 0.432 nan 8.230 nan 0.000 0.433 376 F N 0.378 120.306 119.950 -0.037 0.000 2.095 376 F HA -0.265 4.263 4.527 0.001 0.000 0.298 376 F C 2.826 178.680 175.800 0.090 0.000 1.104 376 F CA 1.821 59.840 58.000 0.033 0.000 1.232 376 F CB -0.181 38.863 39.000 0.072 0.000 0.987 376 F HN -0.009 nan 8.300 nan 0.000 0.475 377 R N 0.487 121.187 120.500 0.333 0.000 2.073 377 R HA -0.169 4.171 4.340 0.001 0.000 0.234 377 R C 2.177 178.553 176.300 0.128 0.000 1.134 377 R CA 2.053 58.285 56.100 0.219 0.000 0.952 377 R CB -0.399 30.041 30.300 0.233 0.000 0.850 377 R HN 0.417 nan 8.270 nan 0.000 0.433 378 E N -0.221 120.038 120.200 0.098 0.000 2.153 378 E HA -0.130 4.221 4.350 0.001 0.000 0.194 378 E C 2.004 178.644 176.600 0.066 0.000 0.988 378 E CA 1.404 57.849 56.400 0.074 0.000 0.811 378 E CB 0.090 29.822 29.700 0.053 0.000 0.746 378 E HN 0.314 nan 8.360 nan 0.000 0.466 379 S N 0.928 116.652 115.700 0.040 0.000 2.336 379 S HA -0.153 4.317 4.470 0.001 0.000 0.214 379 S C 2.454 177.182 174.600 0.213 0.000 1.032 379 S CA 1.335 59.588 58.200 0.089 0.000 1.001 379 S CB -0.636 62.532 63.200 -0.054 0.000 0.953 379 S HN 0.337 nan 8.310 nan 0.000 0.430 380 V N 1.690 121.707 119.914 0.171 0.000 2.370 380 V HA -0.190 3.931 4.120 0.001 0.000 0.252 380 V C 1.956 178.314 176.094 0.441 0.000 1.068 380 V CA 1.499 63.993 62.300 0.323 0.000 1.061 380 V CB -1.081 30.729 31.823 -0.022 0.000 0.656 380 V HN 0.326 nan 8.190 nan 0.000 0.455 381 I N 0.783 121.559 120.570 0.343 0.000 2.052 381 I HA -0.250 3.920 4.170 0.001 0.000 0.235 381 I C 2.967 179.176 176.117 0.155 0.000 1.046 381 I CA 2.556 64.026 61.300 0.285 0.000 1.308 381 I CB -1.288 36.820 38.000 0.180 0.000 1.031 381 I HN 0.326 nan 8.210 nan 0.000 0.395 382 R N -0.625 119.938 120.500 0.106 0.000 2.091 382 R HA -0.214 4.126 4.340 0.001 0.000 0.238 382 R C 2.196 178.510 176.300 0.022 0.000 1.136 382 R CA 1.613 57.743 56.100 0.050 0.000 0.959 382 R CB -0.482 29.843 30.300 0.043 0.000 0.856 382 R HN 0.216 nan 8.270 nan 0.000 0.437 383 F N 0.001 119.793 119.950 -0.263 0.000 1.999 383 F HA -0.108 4.419 4.527 0.001 0.000 0.293 383 F C 1.709 177.215 175.800 -0.490 0.000 1.173 383 F CA 1.410 59.030 58.000 -0.634 0.000 1.162 383 F CB -0.638 37.446 39.000 -1.527 0.000 0.981 383 F HN -0.150 nan 8.300 nan 0.000 0.479 384 F N 0.044 119.899 119.950 -0.159 0.000 2.206 384 F HA 0.070 4.598 4.527 0.001 0.000 0.298 384 F C 2.305 178.006 175.800 -0.165 0.000 1.090 384 F CA 0.959 58.825 58.000 -0.224 0.000 1.323 384 F CB -1.381 37.599 39.000 -0.034 0.000 1.028 384 F HN 0.094 nan 8.300 nan 0.000 0.492 385 A N 0.429 123.303 122.820 0.089 0.000 1.865 385 A HA -0.074 4.247 4.320 0.001 0.000 0.216 385 A C 2.254 179.775 177.584 -0.105 0.000 1.315 385 A CA 1.711 53.678 52.037 -0.116 0.000 0.605 385 A CB -1.436 17.397 19.000 -0.279 0.000 0.984 385 A HN 0.317 nan 8.150 nan 0.000 0.470 386 T N -2.690 111.821 114.554 -0.072 0.000 2.962 386 T HA 0.272 4.623 4.350 0.001 0.000 0.270 386 T C 1.376 176.037 174.700 -0.066 0.000 1.088 386 T CA 1.222 63.283 62.100 -0.065 0.000 1.127 386 T CB -0.873 67.971 68.868 -0.040 0.000 0.883 386 T HN 1.950 nan 8.240 nan 0.000 0.493 387 G N 1.582 110.329 108.800 -0.088 0.000 2.338 387 G HA2 -0.249 3.712 3.960 0.001 0.000 0.296 387 G HA3 -0.249 3.712 3.960 0.001 0.000 0.296 387 G C 0.254 175.124 174.900 -0.050 0.000 1.040 387 G CA 0.423 45.461 45.100 -0.103 0.000 1.004 387 G HN 0.640 nan 8.290 nan 0.000 0.509 388 E N -1.047 119.136 120.200 -0.029 0.000 2.476 388 E HA 0.292 4.642 4.350 0.001 0.000 0.199 388 E C 1.373 177.979 176.600 0.011 0.000 1.021 388 E CA 0.556 56.953 56.400 -0.005 0.000 0.907 388 E CB 0.393 30.090 29.700 -0.005 0.000 0.974 388 E HN 0.890 nan 8.360 nan 0.000 0.489 389 I N -2.022 118.557 120.570 0.016 0.000 2.969 389 I HA 0.430 4.600 4.170 0.001 0.000 0.307 389 I C -0.292 175.871 176.117 0.076 0.000 1.149 389 I CA -1.164 60.139 61.300 0.004 0.000 1.008 389 I CB 1.973 39.944 38.000 -0.048 0.000 1.232 389 I HN -0.167 nan 8.210 nan 0.000 0.435 390 H N 2.829 121.944 119.070 0.075 0.000 2.693 390 H HA 0.624 5.181 4.556 0.001 0.000 0.348 390 H C 0.625 176.037 175.328 0.141 0.000 1.222 390 H CA -0.465 55.646 56.048 0.106 0.000 1.270 390 H CB 1.708 31.496 29.762 0.044 0.000 1.798 390 H HN 0.792 nan 8.280 nan 0.000 0.592 391 A N 0.592 123.626 122.820 0.357 0.000 1.978 391 A HA -0.193 4.128 4.320 0.001 0.000 0.220 391 A C 1.996 179.580 177.584 -0.000 0.000 1.170 391 A CA 1.836 53.974 52.037 0.168 0.000 0.636 391 A CB -0.784 18.400 19.000 0.306 0.000 0.810 391 A HN 0.850 nan 8.150 nan 0.000 0.448 392 E N -1.178 119.088 120.200 0.111 0.000 2.208 392 E HA -0.097 4.253 4.350 0.001 0.000 0.193 392 E C 2.246 178.739 176.600 -0.178 0.000 0.988 392 E CA 0.358 56.770 56.400 0.019 0.000 0.828 392 E CB -0.074 29.738 29.700 0.186 0.000 0.763 392 E HN 0.278 nan 8.360 nan 0.000 0.478 393 R N 0.345 120.570 120.500 -0.459 0.000 2.090 393 R HA -0.076 4.264 4.340 0.001 0.000 0.228 393 R C 1.912 178.043 176.300 -0.281 0.000 1.110 393 R CA 0.802 56.661 56.100 -0.401 0.000 0.973 393 R CB -0.536 29.410 30.300 -0.590 0.000 0.869 393 R HN 0.184 nan 8.270 nan 0.000 0.440 394 F N 2.207 121.818 119.950 -0.565 0.000 2.026 394 F HA -0.253 4.275 4.527 0.001 0.000 0.296 394 F C 2.269 177.670 175.800 -0.664 0.000 1.133 394 F CA 2.023 59.575 58.000 -0.746 0.000 1.188 394 F CB -0.788 37.418 39.000 -1.323 0.000 0.968 394 F HN 0.078 nan 8.300 nan 0.000 0.476 395 D N 0.185 120.181 120.400 -0.673 0.000 2.154 395 D HA -0.277 4.363 4.640 0.001 0.000 0.190 395 D C 2.202 178.349 176.300 -0.256 0.000 1.003 395 D CA 1.864 55.577 54.000 -0.479 0.000 0.849 395 D CB -0.486 40.228 40.800 -0.144 0.000 0.942 395 D HN 0.360 nan 8.370 nan 0.000 0.446 396 A N 0.626 123.340 122.820 -0.176 0.000 1.908 396 A HA -0.213 4.107 4.320 0.001 0.000 0.218 396 A C 2.149 179.659 177.584 -0.123 0.000 1.181 396 A CA 1.858 53.837 52.037 -0.097 0.000 0.627 396 A CB -0.544 18.409 19.000 -0.079 0.000 0.818 396 A HN 0.379 nan 8.150 nan 0.000 0.445 397 E N -1.025 119.045 120.200 -0.217 0.000 2.216 397 E HA -0.056 4.295 4.350 0.001 0.000 0.192 397 E C 1.730 178.179 176.600 -0.251 0.000 0.988 397 E CA 0.465 56.743 56.400 -0.205 0.000 0.834 397 E CB -0.106 29.466 29.700 -0.214 0.000 0.772 397 E HN 0.423 nan 8.360 nan 0.000 0.479 398 L N 0.508 121.498 121.223 -0.388 0.000 2.005 398 L HA -0.128 4.212 4.340 0.001 0.000 0.207 398 L C 2.387 179.190 176.870 -0.112 0.000 1.072 398 L CA 1.827 56.478 54.840 -0.314 0.000 0.744 398 L CB -0.924 40.829 42.059 -0.511 0.000 0.895 398 L HN 0.065 nan 8.230 nan 0.000 0.433 399 T N -1.043 113.452 114.554 -0.097 0.000 2.788 399 T HA -0.202 4.149 4.350 0.001 0.000 0.268 399 T C 2.026 176.684 174.700 -0.069 0.000 1.044 399 T CA 1.181 63.253 62.100 -0.047 0.000 1.139 399 T CB -0.141 68.744 68.868 0.028 0.000 0.867 399 T HN 0.201 nan 8.240 nan 0.000 0.454 400 R N 1.005 121.498 120.500 -0.012 0.000 2.103 400 R HA -0.139 4.201 4.340 0.001 0.000 0.234 400 R C 2.726 178.967 176.300 -0.097 0.000 1.132 400 R CA 1.746 57.858 56.100 0.020 0.000 0.925 400 R CB -0.690 29.633 30.300 0.038 0.000 0.842 400 R HN 0.361 nan 8.270 nan 0.000 0.430 401 A N 1.086 123.842 122.820 -0.106 0.000 1.903 401 A HA -0.291 4.030 4.320 0.001 0.000 0.219 401 A C 2.225 179.707 177.584 -0.170 0.000 1.191 401 A CA 2.057 54.014 52.037 -0.134 0.000 0.638 401 A CB -0.773 18.177 19.000 -0.083 0.000 0.823 401 A HN 0.492 nan 8.150 nan 0.000 0.451 402 R N -1.281 119.133 120.500 -0.142 0.000 2.139 402 R HA -0.105 4.236 4.340 0.001 0.000 0.243 402 R C 1.456 177.606 176.300 -0.250 0.000 1.145 402 R CA 1.811 57.814 56.100 -0.162 0.000 0.976 402 R CB -0.190 30.021 30.300 -0.147 0.000 0.866 402 R HN 0.476 nan 8.270 nan 0.000 0.449 403 M N 0.368 119.753 119.600 -0.359 0.000 2.494 403 M HA 0.037 4.518 4.480 0.001 0.000 0.232 403 M C 1.413 177.484 176.300 -0.382 0.000 1.137 403 M CA 0.443 55.462 55.300 -0.468 0.000 1.012 403 M CB 0.143 32.221 32.600 -0.870 0.000 1.567 403 M HN 0.206 nan 8.290 nan 0.000 0.486 404 L N -0.617 120.352 121.223 -0.424 0.000 2.201 404 L HA -0.109 4.231 4.340 0.001 0.000 0.212 404 L C 0.112 176.617 176.870 -0.609 0.000 1.105 404 L CA 1.097 55.578 54.840 -0.599 0.000 0.775 404 L CB -0.252 41.212 42.059 -0.992 0.000 0.913 404 L HN 0.162 nan 8.230 nan 0.000 0.440 405 Y N -2.674 117.591 120.300 -0.058 0.000 2.644 405 Y HA 0.468 5.019 4.550 0.001 0.000 0.338 405 Y C -2.280 173.519 175.900 -0.168 0.000 1.119 405 Y CA -3.533 54.532 58.100 -0.060 0.000 1.060 405 Y CB -0.033 38.406 38.460 -0.035 0.000 1.294 405 Y HN -0.328 nan 8.280 nan 0.000 0.472 406 P HA 0.051 nan 4.420 nan 0.000 0.269 406 P C 0.569 177.629 177.300 -0.400 0.000 1.217 406 P CA 0.168 62.869 63.100 -0.665 0.000 0.783 406 P CB 0.654 31.860 31.700 -0.824 0.000 0.898 407 E N 1.201 121.199 120.200 -0.336 0.000 2.106 407 E HA -0.262 4.088 4.350 0.001 0.000 0.192 407 E C 1.158 177.582 176.600 -0.293 0.000 0.984 407 E CA 1.225 57.519 56.400 -0.178 0.000 0.806 407 E CB -0.540 29.142 29.700 -0.031 0.000 0.750 407 E HN 0.402 nan 8.360 nan 0.000 0.458 408 Q N 1.084 120.616 119.800 -0.446 0.000 2.170 408 Q HA -0.070 4.271 4.340 0.001 0.000 0.203 408 Q C 2.158 177.697 176.000 -0.769 0.000 0.976 408 Q CA 1.981 57.418 55.803 -0.610 0.000 0.858 408 Q CB -0.219 28.033 28.738 -0.811 0.000 0.907 408 Q HN 0.474 nan 8.270 nan 0.000 0.433 409 A N 0.586 122.933 122.820 -0.788 0.000 1.903 409 A HA 0.133 4.454 4.320 0.001 0.000 0.213 409 A C 2.269 179.718 177.584 -0.225 0.000 1.185 409 A CA 1.090 52.856 52.037 -0.453 0.000 0.628 409 A CB -0.823 18.059 19.000 -0.196 0.000 0.830 409 A HN 0.351 nan 8.150 nan 0.000 0.446 410 A N -0.148 122.575 122.820 -0.161 0.000 1.933 410 A HA -0.193 4.128 4.320 0.001 0.000 0.218 410 A C 1.887 179.375 177.584 -0.159 0.000 1.175 410 A CA 1.444 53.428 52.037 -0.089 0.000 0.628 410 A CB -0.570 18.375 19.000 -0.091 0.000 0.814 410 A HN 0.638 nan 8.150 nan 0.000 0.444 411 Q N -0.906 118.772 119.800 -0.203 0.000 2.491 411 Q HA 0.084 4.424 4.340 0.001 0.000 0.214 411 Q C 1.023 176.911 176.000 -0.187 0.000 0.970 411 Q CA 0.548 56.225 55.803 -0.211 0.000 0.960 411 Q CB -0.046 28.569 28.738 -0.204 0.000 0.996 411 Q HN 0.654 nan 8.270 nan 0.000 0.524 412 G N -0.152 108.556 108.800 -0.155 0.000 3.738 412 G HA2 0.190 4.150 3.960 0.001 0.000 0.241 412 G HA3 0.190 4.150 3.960 0.001 0.000 0.241 412 G C 0.166 175.069 174.900 0.005 0.000 1.068 412 G CA -0.403 44.639 45.100 -0.097 0.000 0.899 412 G HN 0.064 nan 8.290 nan 0.000 0.519 413 L N 0.871 122.079 121.223 -0.025 0.000 2.485 413 L HA 0.215 4.556 4.340 0.001 0.000 0.275 413 L C -0.016 176.934 176.870 0.134 0.000 1.207 413 L CA -0.514 54.341 54.840 0.025 0.000 0.855 413 L CB 0.473 42.542 42.059 0.017 0.000 1.114 413 L HN 0.066 nan 8.230 nan 0.000 0.485 414 W N 2.881 124.098 121.300 -0.139 0.000 2.357 414 W HA 0.220 4.880 4.660 0.001 0.000 0.317 414 W C 0.031 176.442 176.519 -0.180 0.000 1.101 414 W CA -0.921 56.333 57.345 -0.151 0.000 1.380 414 W CB -0.228 29.164 29.460 -0.112 0.000 1.266 414 W HN 0.340 nan 8.180 nan 0.000 0.419 415 N N 4.826 123.418 118.700 -0.180 0.000 2.439 415 N HA 0.233 4.973 4.740 0.001 0.000 0.243 415 N C -0.496 174.780 175.510 -0.391 0.000 1.088 415 N CA -0.198 52.472 53.050 -0.633 0.000 0.940 415 N CB 0.378 38.132 38.487 -1.222 0.000 1.180 415 N HN 0.386 nan 8.380 nan 0.000 0.505 416 L N -0.538 120.666 121.223 -0.031 0.000 2.330 416 L HA 0.571 4.911 4.340 0.001 0.000 0.271 416 L C 0.515 177.540 176.870 0.258 0.000 1.013 416 L CA -0.833 54.083 54.840 0.126 0.000 0.816 416 L CB 1.456 43.625 42.059 0.185 0.000 1.287 416 L HN 0.217 nan 8.230 nan 0.000 0.435 417 L N 0.288 121.587 121.223 0.127 0.000 2.202 417 L HA 0.188 4.528 4.340 0.001 0.000 0.205 417 L C -0.059 176.889 176.870 0.131 0.000 1.083 417 L CA 0.640 55.462 54.840 -0.029 0.000 0.790 417 L CB -0.359 41.483 42.059 -0.362 0.000 0.942 417 L HN 0.915 nan 8.230 nan 0.000 0.452 418 D N -2.228 118.240 120.400 0.113 0.000 2.838 418 D HA 0.493 5.133 4.640 0.001 0.000 0.334 418 D C -0.579 175.636 176.300 -0.142 0.000 1.315 418 D CA -0.341 53.678 54.000 0.033 0.000 0.917 418 D CB 1.302 42.143 40.800 0.068 0.000 1.435 418 D HN -0.053 nan 8.370 nan 0.000 0.517 419 S N -2.095 113.375 115.700 -0.383 0.000 2.724 419 S HA 0.287 4.758 4.470 0.001 0.000 0.278 419 S C 0.189 174.305 174.600 -0.806 0.000 1.190 419 S CA -0.459 57.385 58.200 -0.593 0.000 0.860 419 S CB 0.355 63.472 63.200 -0.138 0.000 1.206 419 S HN 0.866 nan 8.310 nan 0.000 0.507 420 H N 0.177 118.970 119.070 -0.463 0.000 2.563 420 H HA 0.282 4.838 4.556 0.001 0.000 0.272 420 H C -0.192 175.060 175.328 -0.127 0.000 1.005 420 H CA 0.876 56.809 56.048 -0.191 0.000 1.171 420 H CB -0.376 29.381 29.762 -0.009 0.000 1.351 420 H HN 0.611 nan 8.280 nan 0.000 0.602 421 D N 1.170 121.285 120.400 -0.475 0.000 2.498 421 D HA 0.036 4.677 4.640 0.001 0.000 0.223 421 D C 0.553 176.728 176.300 -0.209 0.000 1.125 421 D CA 0.465 54.272 54.000 -0.323 0.000 0.835 421 D CB 1.201 41.788 40.800 -0.356 0.000 1.086 421 D HN 0.467 nan 8.370 nan 0.000 0.510 422 T N -0.900 113.527 114.554 -0.212 0.000 2.950 422 T HA 0.490 4.841 4.350 0.001 0.000 0.288 422 T C 0.257 174.891 174.700 -0.110 0.000 1.035 422 T CA -0.858 61.158 62.100 -0.139 0.000 1.028 422 T CB 2.407 71.209 68.868 -0.110 0.000 1.109 422 T HN -0.152 nan 8.240 nan 0.000 0.514 423 E N 0.831 120.992 120.200 -0.066 0.000 2.410 423 E HA 0.264 4.615 4.350 0.001 0.000 0.255 423 E C 0.097 176.691 176.600 -0.009 0.000 1.194 423 E CA -0.800 55.573 56.400 -0.045 0.000 0.955 423 E CB 0.608 30.282 29.700 -0.043 0.000 0.988 423 E HN 0.425 nan 8.360 nan 0.000 0.461 424 R N 0.162 120.670 120.500 0.014 0.000 2.582 424 R HA 0.079 4.419 4.340 0.001 0.000 0.271 424 R C 0.629 177.016 176.300 0.146 0.000 1.078 424 R CA -0.303 55.853 56.100 0.094 0.000 1.127 424 R CB 0.275 30.618 30.300 0.072 0.000 1.038 424 R HN 0.555 nan 8.270 nan 0.000 0.500 425 F N 1.726 121.783 119.950 0.177 0.000 2.113 425 F HA -0.186 4.341 4.527 0.001 0.000 0.297 425 F C 2.102 178.078 175.800 0.293 0.000 1.103 425 F CA 1.430 59.580 58.000 0.250 0.000 1.248 425 F CB -0.299 38.902 39.000 0.335 0.000 0.999 425 F HN 0.501 nan 8.300 nan 0.000 0.475 426 L N -0.181 121.231 121.223 0.314 0.000 2.051 426 L HA -0.310 4.031 4.340 0.001 0.000 0.214 426 L C 2.191 179.002 176.870 -0.098 0.000 1.076 426 L CA 2.497 57.324 54.840 -0.022 0.000 0.758 426 L CB -0.909 40.962 42.059 -0.314 0.000 0.890 426 L HN 0.216 nan 8.230 nan 0.000 0.433 427 T N -1.757 112.748 114.554 -0.083 0.000 2.904 427 T HA -0.100 4.250 4.350 0.001 0.000 0.267 427 T C 1.980 176.600 174.700 -0.134 0.000 1.059 427 T CA 1.246 63.288 62.100 -0.097 0.000 1.137 427 T CB -0.212 68.613 68.868 -0.072 0.000 0.879 427 T HN 0.355 nan 8.240 nan 0.000 0.467 428 S N 0.805 116.387 115.700 -0.197 0.000 2.382 428 S HA -0.091 4.379 4.470 0.001 0.000 0.228 428 S C 1.734 176.154 174.600 -0.300 0.000 1.027 428 S CA 0.759 58.798 58.200 -0.269 0.000 0.991 428 S CB -0.410 62.553 63.200 -0.396 0.000 0.823 428 S HN 0.586 nan 8.310 nan 0.000 0.469 429 C N 2.409 121.499 119.300 -0.349 0.000 2.305 429 C HA 0.442 4.902 4.460 0.001 0.000 0.361 429 C C 1.647 176.547 174.990 -0.149 0.000 1.312 429 C CA -1.150 57.722 59.018 -0.243 0.000 1.705 429 C CB -1.915 25.707 27.740 -0.198 0.000 1.882 429 C HN 0.650 nan 8.230 nan 0.000 0.587 430 G N 1.164 109.885 108.800 -0.132 0.000 2.158 430 G HA2 0.076 4.037 3.960 0.001 0.000 0.257 430 G HA3 0.076 4.037 3.960 0.001 0.000 0.257 430 G C 1.212 176.059 174.900 -0.088 0.000 0.811 430 G CA 0.702 45.744 45.100 -0.098 0.000 1.178 430 G HN 1.464 nan 8.290 nan 0.000 0.389 431 G N 0.192 108.935 108.800 -0.096 0.000 2.220 431 G HA2 -0.403 3.558 3.960 0.001 0.000 0.269 431 G HA3 -0.403 3.558 3.960 0.001 0.000 0.269 431 G C 0.669 175.519 174.900 -0.082 0.000 0.977 431 G CA 0.722 45.767 45.100 -0.093 0.000 0.634 431 G HN 1.347 nan 8.290 nan 0.000 0.539 432 N N 1.229 119.883 118.700 -0.078 0.000 2.406 432 N HA 0.176 4.917 4.740 0.001 0.000 0.265 432 N C 1.272 176.756 175.510 -0.043 0.000 1.203 432 N CA 0.625 53.632 53.050 -0.071 0.000 0.945 432 N CB 0.510 38.931 38.487 -0.110 0.000 1.165 432 N HN 0.585 nan 8.380 nan 0.000 0.485 433 E N 3.077 123.261 120.200 -0.027 0.000 2.070 433 E HA -0.227 4.123 4.350 0.001 0.000 0.197 433 E C 1.399 178.036 176.600 0.061 0.000 1.004 433 E CA 1.664 58.083 56.400 0.031 0.000 0.805 433 E CB 0.062 29.770 29.700 0.014 0.000 0.744 433 E HN 0.764 nan 8.360 nan 0.000 0.451 434 A N 0.723 123.521 122.820 -0.036 0.000 2.015 434 A HA -0.196 4.124 4.320 0.001 0.000 0.219 434 A C 1.884 179.341 177.584 -0.212 0.000 1.163 434 A CA 1.381 53.372 52.037 -0.078 0.000 0.646 434 A CB -0.210 18.773 19.000 -0.028 0.000 0.806 434 A HN 0.091 nan 8.150 nan 0.000 0.448 435 K N -1.562 118.651 120.400 -0.311 0.000 2.031 435 K HA -0.035 4.286 4.320 0.001 0.000 0.205 435 K C 1.743 178.375 176.600 0.053 0.000 1.049 435 K CA 1.356 57.500 56.287 -0.238 0.000 0.939 435 K CB -0.334 32.021 32.500 -0.243 0.000 0.717 435 K HN 0.462 nan 8.250 nan 0.000 0.438 436 F N 2.429 122.392 119.950 0.021 0.000 2.011 436 F HA -0.277 4.250 4.527 0.001 0.000 0.296 436 F C 2.289 178.161 175.800 0.119 0.000 1.144 436 F CA 1.614 59.733 58.000 0.199 0.000 1.185 436 F CB -0.099 39.014 39.000 0.189 0.000 0.961 436 F HN -0.109 nan 8.300 nan 0.000 0.485 437 R N -0.151 120.547 120.500 0.329 0.000 2.140 437 R HA -0.249 4.092 4.340 0.001 0.000 0.250 437 R C 2.089 178.462 176.300 0.123 0.000 1.150 437 R CA 1.915 58.185 56.100 0.284 0.000 0.966 437 R CB -1.140 29.192 30.300 0.053 0.000 0.869 437 R HN 0.354 nan 8.270 nan 0.000 0.445 438 L N 0.387 121.600 121.223 -0.017 0.000 2.109 438 L HA -0.020 4.321 4.340 0.001 0.000 0.207 438 L C 2.281 178.865 176.870 -0.475 0.000 1.086 438 L CA 1.650 56.442 54.840 -0.079 0.000 0.760 438 L CB -0.468 41.617 42.059 0.043 0.000 0.910 438 L HN 0.122 nan 8.230 nan 0.000 0.437 439 A N -1.184 121.152 122.820 -0.808 0.000 2.014 439 A HA -0.097 4.223 4.320 0.001 0.000 0.218 439 A C 2.275 179.518 177.584 -0.568 0.000 1.163 439 A CA 1.536 52.901 52.037 -1.120 0.000 0.652 439 A CB -0.978 17.529 19.000 -0.822 0.000 0.808 439 A HN 0.398 nan 8.150 nan 0.000 0.449 440 V N -1.793 117.822 119.914 -0.498 0.000 2.591 440 V HA -0.046 4.074 4.120 0.001 0.000 0.249 440 V C 2.101 178.024 176.094 -0.286 0.000 1.053 440 V CA 1.703 63.720 62.300 -0.472 0.000 1.068 440 V CB -0.538 30.849 31.823 -0.726 0.000 0.689 440 V HN 0.426 nan 8.190 nan 0.000 0.462 441 L N -1.067 120.098 121.223 -0.097 0.000 2.093 441 L HA -0.033 4.307 4.340 0.001 0.000 0.208 441 L C 2.353 179.334 176.870 0.185 0.000 1.085 441 L CA 2.270 57.138 54.840 0.047 0.000 0.755 441 L CB -0.427 41.765 42.059 0.223 0.000 0.904 441 L HN 0.455 nan 8.230 nan 0.000 0.435 442 F N 0.488 120.470 119.950 0.052 0.000 2.075 442 F HA -0.280 4.247 4.527 0.001 0.000 0.297 442 F C 2.630 178.580 175.800 0.251 0.000 1.113 442 F CA 2.155 60.318 58.000 0.271 0.000 1.218 442 F CB -0.597 38.558 39.000 0.259 0.000 0.984 442 F HN 0.174 nan 8.300 nan 0.000 0.472 443 Q N -0.515 119.361 119.800 0.126 0.000 2.234 443 Q HA -0.186 4.155 4.340 0.001 0.000 0.206 443 Q C 1.660 177.603 176.000 -0.094 0.000 0.980 443 Q CA 1.371 57.211 55.803 0.061 0.000 0.869 443 Q CB -0.055 28.735 28.738 0.088 0.000 0.912 443 Q HN 0.372 nan 8.270 nan 0.000 0.436 444 M N -0.310 119.222 119.600 -0.114 0.000 2.495 444 M HA 0.031 4.511 4.480 0.001 0.000 0.237 444 M C 1.361 177.611 176.300 -0.083 0.000 1.131 444 M CA 0.893 56.097 55.300 -0.158 0.000 1.032 444 M CB 0.265 32.719 32.600 -0.245 0.000 1.513 444 M HN 0.249 nan 8.290 nan 0.000 0.488 445 T N -4.138 110.439 114.554 0.038 0.000 2.955 445 T HA 0.092 4.443 4.350 0.001 0.000 0.251 445 T C 0.682 175.494 174.700 0.187 0.000 1.002 445 T CA -0.231 61.971 62.100 0.171 0.000 0.970 445 T CB -0.016 69.068 68.868 0.359 0.000 1.091 445 T HN 0.110 nan 8.240 nan 0.000 0.495 446 Y N 1.750 121.932 120.300 -0.198 0.000 2.219 446 Y HA 0.550 5.101 4.550 0.001 0.000 0.375 446 Y C 0.136 175.848 175.900 -0.313 0.000 1.333 446 Y CA -1.897 55.914 58.100 -0.481 0.000 1.799 446 Y CB 0.076 37.998 38.460 -0.897 0.000 1.611 446 Y HN 0.139 nan 8.280 nan 0.000 0.635 447 L N 1.885 122.465 121.223 -1.072 0.000 2.292 447 L HA 0.613 4.953 4.340 0.001 0.000 0.284 447 L C 0.035 176.600 176.870 -0.508 0.000 1.065 447 L CA 0.881 55.306 54.840 -0.692 0.000 0.806 447 L CB 0.452 42.044 42.059 -0.777 0.000 1.175 447 L HN 0.832 nan 8.230 nan 0.000 0.431 448 G N 2.096 110.700 108.800 -0.326 0.000 2.357 448 G HA2 0.271 4.231 3.960 0.001 0.000 0.289 448 G HA3 0.271 4.231 3.960 0.001 0.000 0.289 448 G C -1.006 173.763 174.900 -0.218 0.000 1.302 448 G CA -0.313 44.634 45.100 -0.254 0.000 0.936 448 G HN 0.852 nan 8.290 nan 0.000 0.513 449 T N -0.279 114.164 114.554 -0.187 0.000 2.770 449 T HA 0.708 5.059 4.350 0.001 0.000 0.283 449 T C -2.915 171.608 174.700 -0.296 0.000 0.988 449 T CA -1.691 60.272 62.100 -0.228 0.000 0.957 449 T CB 2.078 70.812 68.868 -0.223 0.000 0.930 449 T HN 0.355 nan 8.240 nan 0.000 0.443 450 P HA 0.282 nan 4.420 nan 0.000 0.267 450 P C -0.918 176.244 177.300 -0.231 0.000 1.205 450 P CA -0.543 62.412 63.100 -0.242 0.000 0.765 450 P CB 0.397 31.978 31.700 -0.199 0.000 0.828 451 L N 5.442 126.560 121.223 -0.176 0.000 2.377 451 L HA 0.472 4.812 4.340 0.001 0.000 0.270 451 L C -1.072 175.793 176.870 -0.009 0.000 0.991 451 L CA -0.341 54.414 54.840 -0.142 0.000 0.851 451 L CB 0.596 42.578 42.059 -0.129 0.000 1.218 451 L HN 0.192 nan 8.230 nan 0.000 0.420 452 I N 4.936 125.515 120.570 0.014 0.000 2.395 452 I HA 0.212 4.382 4.170 0.001 0.000 0.289 452 I C -0.681 175.400 176.117 -0.060 0.000 1.023 452 I CA -0.463 60.877 61.300 0.066 0.000 1.350 452 I CB 0.780 38.870 38.000 0.151 0.000 1.409 452 I HN 0.535 nan 8.210 nan 0.000 0.507 453 Y N 7.720 127.961 120.300 -0.099 0.000 2.299 453 Y HA 0.232 4.783 4.550 0.001 0.000 0.326 453 Y C -0.090 175.655 175.900 -0.258 0.000 1.164 453 Y CA -1.423 56.608 58.100 -0.114 0.000 1.234 453 Y CB 0.583 39.047 38.460 0.008 0.000 1.219 453 Y HN 0.467 nan 8.280 nan 0.000 0.497 454 Y N 3.512 123.293 120.300 -0.865 0.000 2.802 454 Y HA 0.352 4.903 4.550 0.001 0.000 0.333 454 Y C 0.941 176.699 175.900 -0.236 0.000 1.244 454 Y CA -0.212 57.563 58.100 -0.541 0.000 1.558 454 Y CB -0.163 38.146 38.460 -0.251 0.000 1.233 454 Y HN 0.876 nan 8.280 nan 0.000 0.547 455 G N 3.050 111.793 108.800 -0.096 0.000 2.232 455 G HA2 -0.325 3.635 3.960 0.001 0.000 0.226 455 G HA3 -0.325 3.635 3.960 0.001 0.000 0.226 455 G C 0.708 175.543 174.900 -0.109 0.000 0.996 455 G CA 0.245 45.242 45.100 -0.172 0.000 0.626 455 G HN 0.579 nan 8.290 nan 0.000 0.509 456 D N 1.322 121.697 120.400 -0.043 0.000 2.144 456 D HA 0.080 4.720 4.640 0.001 0.000 0.200 456 D C 2.229 178.544 176.300 0.026 0.000 0.978 456 D CA 1.521 55.584 54.000 0.105 0.000 0.833 456 D CB -0.240 40.792 40.800 0.386 0.000 0.961 456 D HN 0.624 nan 8.370 nan 0.000 0.470 457 E N 0.368 120.410 120.200 -0.263 0.000 2.219 457 E HA -0.163 4.187 4.350 0.001 0.000 0.198 457 E C 1.683 178.277 176.600 -0.010 0.000 0.998 457 E CA 0.828 56.870 56.400 -0.595 0.000 0.818 457 E CB -0.504 29.021 29.700 -0.292 0.000 0.741 457 E HN 0.558 nan 8.360 nan 0.000 0.477 458 I N -4.930 115.674 120.570 0.057 0.000 4.009 458 I HA 0.572 4.743 4.170 0.001 0.000 0.331 458 I C 1.080 177.181 176.117 -0.026 0.000 1.462 458 I CA 0.134 61.477 61.300 0.072 0.000 1.117 458 I CB 0.902 38.928 38.000 0.044 0.000 1.091 458 I HN 0.039 nan 8.210 nan 0.000 0.410 459 G N 1.037 109.792 108.800 -0.075 0.000 2.131 459 G HA2 -0.204 3.757 3.960 0.001 0.000 0.201 459 G HA3 -0.204 3.757 3.960 0.001 0.000 0.201 459 G C 0.213 175.005 174.900 -0.179 0.000 1.000 459 G CA 0.016 45.021 45.100 -0.158 0.000 0.680 459 G HN 0.304 nan 8.290 nan 0.000 0.514 460 M N 0.021 119.519 119.600 -0.170 0.000 2.198 460 M HA 0.446 4.926 4.480 0.001 0.000 0.292 460 M C 0.894 177.101 176.300 -0.155 0.000 1.150 460 M CA 1.505 56.699 55.300 -0.176 0.000 1.168 460 M CB 0.620 33.089 32.600 -0.220 0.000 1.388 460 M HN 0.870 nan 8.290 nan 0.000 0.447 461 A N -0.202 122.537 122.820 -0.135 0.000 2.535 461 A HA 0.951 5.271 4.320 0.001 0.000 0.296 461 A C -0.563 176.968 177.584 -0.087 0.000 1.248 461 A CA -0.098 51.876 52.037 -0.104 0.000 0.686 461 A CB 1.555 20.490 19.000 -0.108 0.000 1.315 461 A HN 1.093 nan 8.150 nan 0.000 0.460 462 G N -1.917 106.840 108.800 -0.072 0.000 2.462 462 G HA2 0.601 4.562 3.960 0.001 0.000 0.424 462 G HA3 0.601 4.562 3.960 0.001 0.000 0.424 462 G C -0.291 174.577 174.900 -0.053 0.000 1.573 462 G CA 0.137 45.199 45.100 -0.065 0.000 0.913 462 G HN 2.046 nan 8.290 nan 0.000 0.672 463 A N 1.469 124.255 122.820 -0.057 0.000 2.260 463 A HA 0.890 5.211 4.320 0.001 0.000 0.278 463 A C 1.384 178.936 177.584 -0.054 0.000 1.269 463 A CA 0.907 52.912 52.037 -0.053 0.000 0.824 463 A CB 0.092 19.062 19.000 -0.051 0.000 1.238 463 A HN 2.081 nan 8.150 nan 0.000 0.507 464 T N -0.828 113.695 114.554 -0.051 0.000 2.680 464 T HA 0.192 4.542 4.350 0.001 0.000 0.314 464 T C 0.266 174.936 174.700 -0.051 0.000 1.045 464 T CA 0.503 62.571 62.100 -0.053 0.000 1.025 464 T CB -0.133 68.708 68.868 -0.045 0.000 1.000 464 T HN 0.773 nan 8.240 nan 0.000 0.535 465 D N 1.583 121.961 120.400 -0.038 0.000 2.533 465 D HA 0.071 4.711 4.640 0.001 0.000 0.236 465 D C -1.820 174.411 176.300 -0.115 0.000 1.137 465 D CA -1.215 52.766 54.000 -0.032 0.000 0.867 465 D CB 0.903 41.736 40.800 0.054 0.000 1.170 465 D HN 0.246 nan 8.370 nan 0.000 0.474 466 P HA 0.143 nan 4.420 nan 0.000 0.262 466 P C 0.089 177.317 177.300 -0.120 0.000 1.304 466 P CA -0.050 62.923 63.100 -0.211 0.000 0.859 466 P CB 0.488 32.013 31.700 -0.292 0.000 1.310 467 D N -0.593 119.743 120.400 -0.107 0.000 2.347 467 D HA -0.092 4.548 4.640 0.001 0.000 0.215 467 D C 1.381 177.642 176.300 -0.066 0.000 0.976 467 D CA 0.556 54.504 54.000 -0.086 0.000 0.884 467 D CB -0.304 40.448 40.800 -0.080 0.000 0.915 467 D HN 0.195 nan 8.370 nan 0.000 0.526 468 C N -0.656 118.618 119.300 -0.043 0.000 2.468 468 C HA 0.228 4.689 4.460 0.001 0.000 0.277 468 C C 1.402 176.435 174.990 0.072 0.000 1.400 468 C CA -0.462 58.568 59.018 0.021 0.000 1.770 468 C CB -1.006 26.739 27.740 0.009 0.000 1.905 468 C HN 0.014 nan 8.230 nan 0.000 0.519 469 R N 1.514 122.016 120.500 0.004 0.000 4.048 469 R HA 0.331 4.672 4.340 0.001 0.000 0.290 469 R C -0.229 176.082 176.300 0.019 0.000 1.519 469 R CA 0.004 56.126 56.100 0.036 0.000 1.446 469 R CB -0.038 30.213 30.300 -0.081 0.000 1.455 469 R HN 0.518 nan 8.270 nan 0.000 0.706 470 R N 1.871 122.341 120.500 -0.051 0.000 2.460 470 R HA 0.318 4.659 4.340 0.001 0.000 0.303 470 R C -2.363 173.740 176.300 -0.329 0.000 0.968 470 R CA -2.145 53.811 56.100 -0.241 0.000 0.889 470 R CB 1.643 31.811 30.300 -0.219 0.000 1.123 470 R HN 0.121 nan 8.270 nan 0.000 0.455 471 P HA -0.099 nan 4.420 nan 0.000 0.264 471 P C -0.175 176.705 177.300 -0.700 0.000 1.183 471 P CA -0.123 62.376 63.100 -1.003 0.000 0.763 471 P CB 0.500 31.294 31.700 -1.509 0.000 0.807 472 M N 4.263 123.559 119.600 -0.507 0.000 2.240 472 M HA 0.150 4.630 4.480 0.001 0.000 0.317 472 M C -0.427 175.571 176.300 -0.503 0.000 1.087 472 M CA 0.222 55.315 55.300 -0.345 0.000 1.176 472 M CB -0.445 32.085 32.600 -0.116 0.000 1.439 472 M HN 0.231 nan 8.290 nan 0.000 0.452 473 I N 3.689 123.882 120.570 -0.628 0.000 2.354 473 I HA 0.154 4.325 4.170 0.001 0.000 0.286 473 I C -0.651 175.079 176.117 -0.645 0.000 1.007 473 I CA 0.017 61.056 61.300 -0.435 0.000 1.167 473 I CB 1.045 38.856 38.000 -0.314 0.000 1.320 473 I HN 0.880 nan 8.210 nan 0.000 0.458 474 W N 3.142 124.441 121.300 -0.002 0.000 2.996 474 W HA 0.179 4.840 4.660 0.001 0.000 0.270 474 W C 0.683 177.136 176.519 -0.109 0.000 1.280 474 W CA -0.246 57.033 57.345 -0.110 0.000 1.549 474 W CB 0.547 29.949 29.460 -0.097 0.000 1.079 474 W HN 0.353 nan 8.180 nan 0.000 0.629 475 E N 1.726 121.973 120.200 0.078 0.000 2.166 475 E HA -0.031 4.320 4.350 0.001 0.000 0.279 475 E C 0.829 177.426 176.600 -0.004 0.000 1.095 475 E CA -0.021 56.407 56.400 0.046 0.000 0.888 475 E CB 0.779 30.503 29.700 0.040 0.000 1.041 475 E HN 0.288 nan 8.360 nan 0.000 0.414 476 E N 2.668 122.870 120.200 0.002 0.000 2.136 476 E HA -0.292 4.058 4.350 0.001 0.000 0.208 476 E C 0.949 177.541 176.600 -0.013 0.000 1.035 476 E CA 1.732 58.125 56.400 -0.013 0.000 0.838 476 E CB 0.065 29.767 29.700 0.004 0.000 0.748 476 E HN 0.295 nan 8.360 nan 0.000 0.459 477 K N -0.111 120.287 120.400 -0.003 0.000 2.444 477 K HA -0.014 4.306 4.320 0.001 0.000 0.193 477 K C 1.137 177.732 176.600 -0.009 0.000 1.024 477 K CA 0.214 56.500 56.287 -0.001 0.000 1.077 477 K CB 0.424 32.928 32.500 0.006 0.000 0.833 477 K HN -0.106 nan 8.250 nan 0.000 0.517 478 E N 0.673 120.861 120.200 -0.021 0.000 2.538 478 E HA 0.097 4.447 4.350 0.001 0.000 0.207 478 E C -0.688 175.877 176.600 -0.059 0.000 1.002 478 E CA 0.128 56.507 56.400 -0.034 0.000 0.952 478 E CB 0.450 30.132 29.700 -0.029 0.000 1.031 478 E HN 0.163 nan 8.360 nan 0.000 0.476 479 Q N -0.062 119.702 119.800 -0.059 0.000 2.301 479 Q HA 0.344 4.684 4.340 0.001 0.000 0.267 479 Q C -0.464 175.520 176.000 -0.026 0.000 1.035 479 Q CA -0.870 54.889 55.803 -0.075 0.000 0.856 479 Q CB 1.201 29.873 28.738 -0.109 0.000 1.337 479 Q HN -0.103 nan 8.270 nan 0.000 0.450 480 N N 1.881 120.577 118.700 -0.007 0.000 2.663 480 N HA 0.025 4.765 4.740 0.001 0.000 0.250 480 N C 0.285 175.865 175.510 0.116 0.000 1.129 480 N CA 0.111 53.186 53.050 0.041 0.000 0.995 480 N CB 0.345 38.849 38.487 0.029 0.000 1.324 480 N HN 0.440 nan 8.380 nan 0.000 0.512 481 R N 1.475 122.042 120.500 0.112 0.000 2.285 481 R HA -0.012 4.328 4.340 0.001 0.000 0.213 481 R C 1.511 177.953 176.300 0.238 0.000 1.068 481 R CA 0.622 56.837 56.100 0.192 0.000 1.004 481 R CB -0.405 29.973 30.300 0.130 0.000 0.873 481 R HN 0.542 nan 8.270 nan 0.000 0.467 482 G N 0.324 109.229 108.800 0.175 0.000 2.403 482 G HA2 -0.162 3.799 3.960 0.001 0.000 0.216 482 G HA3 -0.162 3.799 3.960 0.001 0.000 0.216 482 G C 1.515 176.560 174.900 0.242 0.000 1.154 482 G CA -0.091 45.111 45.100 0.169 0.000 0.784 482 G HN 0.200 nan 8.290 nan 0.000 0.538 483 L N -0.899 120.487 121.223 0.272 0.000 2.068 483 L HA 0.123 4.463 4.340 0.001 0.000 0.204 483 L C 2.514 179.648 176.870 0.441 0.000 1.076 483 L CA 0.728 55.807 54.840 0.399 0.000 0.753 483 L CB -0.305 41.950 42.059 0.326 0.000 0.910 483 L HN 0.227 nan 8.230 nan 0.000 0.439 484 F N 1.444 121.507 119.950 0.188 0.000 2.063 484 F HA -0.365 4.162 4.527 0.001 0.000 0.298 484 F C 2.440 178.338 175.800 0.163 0.000 1.105 484 F CA 2.302 60.376 58.000 0.123 0.000 1.215 484 F CB -0.168 38.894 39.000 0.103 0.000 0.972 484 F HN 0.078 nan 8.300 nan 0.000 0.483 485 E N -0.695 119.621 120.200 0.193 0.000 2.265 485 E HA -0.201 4.149 4.350 0.001 0.000 0.196 485 E C 1.869 178.551 176.600 0.135 0.000 0.996 485 E CA 1.011 57.476 56.400 0.109 0.000 0.832 485 E CB -0.612 29.203 29.700 0.191 0.000 0.756 485 E HN 0.490 nan 8.360 nan 0.000 0.491 486 F N -0.764 119.240 119.950 0.090 0.000 2.179 486 F HA -0.078 4.449 4.527 0.001 0.000 0.292 486 F C 1.461 177.317 175.800 0.093 0.000 1.089 486 F CA 1.006 59.065 58.000 0.098 0.000 1.295 486 F CB -0.664 38.422 39.000 0.143 0.000 1.041 486 F HN 0.003 nan 8.300 nan 0.000 0.487 487 Y N 1.274 121.400 120.300 -0.290 0.000 2.151 487 Y HA -0.257 4.294 4.550 0.001 0.000 0.284 487 Y C 2.443 178.137 175.900 -0.343 0.000 1.166 487 Y CA 2.140 60.027 58.100 -0.355 0.000 1.163 487 Y CB -0.768 37.556 38.460 -0.227 0.000 0.974 487 Y HN 0.068 nan 8.280 nan 0.000 0.511 488 K N -0.411 119.875 120.400 -0.190 0.000 2.097 488 K HA -0.161 4.160 4.320 0.001 0.000 0.205 488 K C 2.031 178.553 176.600 -0.130 0.000 1.050 488 K CA 1.165 57.332 56.287 -0.200 0.000 0.938 488 K CB -0.101 32.253 32.500 -0.243 0.000 0.718 488 K HN 0.234 nan 8.250 nan 0.000 0.442 489 E N 1.193 121.335 120.200 -0.097 0.000 2.021 489 E HA -0.209 4.142 4.350 0.001 0.000 0.200 489 E C 2.127 178.644 176.600 -0.138 0.000 1.015 489 E CA 1.375 57.734 56.400 -0.067 0.000 0.824 489 E CB -0.322 29.393 29.700 0.024 0.000 0.762 489 E HN 0.239 nan 8.360 nan 0.000 0.454 490 L N 0.604 121.672 121.223 -0.259 0.000 2.013 490 L HA -0.223 4.117 4.340 0.001 0.000 0.212 490 L C 2.682 179.403 176.870 -0.250 0.000 1.073 490 L CA 1.087 55.751 54.840 -0.293 0.000 0.753 490 L CB -0.485 41.284 42.059 -0.484 0.000 0.890 490 L HN 0.144 nan 8.230 nan 0.000 0.432 491 I N -0.602 119.821 120.570 -0.245 0.000 2.208 491 I HA -0.315 3.855 4.170 0.001 0.000 0.245 491 I C 2.816 178.809 176.117 -0.207 0.000 1.097 491 I CA 1.304 62.445 61.300 -0.264 0.000 1.363 491 I CB -0.285 37.604 38.000 -0.186 0.000 1.051 491 I HN 0.202 nan 8.210 nan 0.000 0.413 492 R N 0.538 120.973 120.500 -0.109 0.000 2.091 492 R HA -0.158 4.182 4.340 0.001 0.000 0.238 492 R C 2.294 178.543 176.300 -0.086 0.000 1.136 492 R CA 1.429 57.498 56.100 -0.052 0.000 0.959 492 R CB -0.323 29.946 30.300 -0.051 0.000 0.856 492 R HN 0.310 nan 8.270 nan 0.000 0.437 493 L N -0.422 120.725 121.223 -0.126 0.000 2.093 493 L HA -0.131 4.209 4.340 0.001 0.000 0.208 493 L C 2.559 179.336 176.870 -0.156 0.000 1.085 493 L CA 1.093 55.844 54.840 -0.148 0.000 0.755 493 L CB -0.311 41.666 42.059 -0.137 0.000 0.904 493 L HN 0.079 nan 8.230 nan 0.000 0.435 494 R N -0.084 120.303 120.500 -0.188 0.000 2.096 494 R HA -0.213 4.128 4.340 0.001 0.000 0.240 494 R C 2.124 178.335 176.300 -0.148 0.000 1.139 494 R CA 1.912 57.885 56.100 -0.212 0.000 0.952 494 R CB -0.491 29.597 30.300 -0.352 0.000 0.854 494 R HN 0.450 nan 8.270 nan 0.000 0.436 495 H N -1.639 117.371 119.070 -0.100 0.000 2.529 495 H HA 0.050 4.607 4.556 0.001 0.000 0.277 495 H C 1.158 176.429 175.328 -0.095 0.000 0.999 495 H CA 1.014 57.011 56.048 -0.085 0.000 1.256 495 H CB 0.265 29.983 29.762 -0.072 0.000 1.402 495 H HN 0.260 nan 8.280 nan 0.000 0.566 496 R N 0.095 120.584 120.500 -0.019 0.000 2.508 496 R HA 0.241 4.581 4.340 0.001 0.000 0.300 496 R C -0.714 175.497 176.300 -0.148 0.000 0.970 496 R CA 0.011 56.062 56.100 -0.081 0.000 1.102 496 R CB 0.329 30.563 30.300 -0.110 0.000 1.246 496 R HN 0.066 nan 8.270 nan 0.000 0.539 497 L N 1.381 122.517 121.223 -0.145 0.000 2.388 497 L HA 0.530 4.871 4.340 0.001 0.000 0.267 497 L C 0.684 177.491 176.870 -0.104 0.000 0.995 497 L CA -0.779 53.952 54.840 -0.181 0.000 0.864 497 L CB 1.912 43.821 42.059 -0.250 0.000 1.216 497 L HN 0.295 nan 8.230 nan 0.000 0.430 498 A N 1.555 124.331 122.820 -0.073 0.000 2.070 498 A HA -0.122 4.198 4.320 0.001 0.000 0.220 498 A C 2.120 179.671 177.584 -0.055 0.000 1.159 498 A CA 1.842 53.849 52.037 -0.050 0.000 0.656 498 A CB -0.124 18.855 19.000 -0.034 0.000 0.800 498 A HN 0.708 nan 8.150 nan 0.000 0.453 499 S N 0.060 115.728 115.700 -0.054 0.000 2.399 499 S HA -0.077 4.393 4.470 0.001 0.000 0.231 499 S C 1.636 176.203 174.600 -0.055 0.000 1.022 499 S CA 1.327 59.493 58.200 -0.057 0.000 0.983 499 S CB -0.360 62.812 63.200 -0.046 0.000 0.803 499 S HN 0.578 nan 8.310 nan 0.000 0.480 500 L N 1.231 122.420 121.223 -0.057 0.000 2.240 500 L HA -0.035 4.306 4.340 0.001 0.000 0.211 500 L C 2.672 179.487 176.870 -0.091 0.000 1.106 500 L CA 1.394 56.199 54.840 -0.058 0.000 0.793 500 L CB -0.970 41.049 42.059 -0.067 0.000 0.927 500 L HN 0.499 nan 8.230 nan 0.000 0.446 501 T N -3.321 111.182 114.554 -0.085 0.000 3.044 501 T HA 0.012 4.363 4.350 0.001 0.000 0.237 501 T C 1.896 176.536 174.700 -0.099 0.000 1.001 501 T CA 0.007 62.054 62.100 -0.089 0.000 1.160 501 T CB -0.013 68.826 68.868 -0.049 0.000 0.889 501 T HN 0.125 nan 8.240 nan 0.000 0.442 502 R N 1.128 121.578 120.500 -0.084 0.000 2.334 502 R HA 0.426 4.766 4.340 0.001 0.000 0.212 502 R C 1.276 177.521 176.300 -0.091 0.000 0.897 502 R CA -0.021 56.027 56.100 -0.086 0.000 1.056 502 R CB 0.507 30.768 30.300 -0.065 0.000 1.046 502 R HN 0.477 nan 8.270 nan 0.000 0.513 503 G N 0.558 109.302 108.800 -0.093 0.000 2.557 503 G HA2 0.105 4.065 3.960 0.001 0.000 0.292 503 G HA3 0.105 4.065 3.960 0.001 0.000 0.292 503 G C -0.407 174.431 174.900 -0.103 0.000 1.237 503 G CA -0.724 44.321 45.100 -0.092 0.000 0.978 503 G HN 0.339 nan 8.290 nan 0.000 0.498 504 N N -2.822 115.825 118.700 -0.089 0.000 2.566 504 N HA 0.571 5.311 4.740 0.001 0.000 0.299 504 N C -1.037 174.430 175.510 -0.072 0.000 1.277 504 N CA -0.806 52.188 53.050 -0.093 0.000 0.965 504 N CB 1.586 40.033 38.487 -0.067 0.000 1.142 504 N HN 0.306 nan 8.380 nan 0.000 0.596 505 V N -0.622 119.255 119.914 -0.061 0.000 2.638 505 V HA 0.541 4.661 4.120 0.001 0.000 0.306 505 V C -0.704 175.439 176.094 0.082 0.000 1.052 505 V CA -0.969 61.338 62.300 0.012 0.000 0.885 505 V CB 1.350 33.117 31.823 -0.093 0.000 0.999 505 V HN 0.642 nan 8.190 nan 0.000 0.424 506 R N 1.702 122.303 120.500 0.168 0.000 2.599 506 R HA 0.620 4.960 4.340 0.001 0.000 0.295 506 R C -0.301 176.173 176.300 0.291 0.000 0.963 506 R CA -0.613 55.598 56.100 0.185 0.000 0.883 506 R CB 2.146 32.532 30.300 0.143 0.000 1.171 506 R HN 0.762 nan 8.270 nan 0.000 0.450 507 S N 1.508 117.392 115.700 0.306 0.000 2.562 507 S HA 0.072 4.542 4.470 0.001 0.000 0.281 507 S C 0.243 175.071 174.600 0.381 0.000 1.333 507 S CA -0.277 58.151 58.200 0.380 0.000 1.052 507 S CB 0.737 64.179 63.200 0.403 0.000 0.884 507 S HN 0.724 nan 8.310 nan 0.000 0.506 508 W N 2.331 123.714 121.300 0.138 0.000 3.097 508 W HA 0.290 4.950 4.660 0.001 0.000 0.245 508 W C 0.176 176.798 176.519 0.172 0.000 1.120 508 W CA 0.385 57.808 57.345 0.129 0.000 1.468 508 W CB 0.193 29.721 29.460 0.113 0.000 0.851 508 W HN 0.734 nan 8.180 nan 0.000 0.692 509 H N 0.054 119.167 119.070 0.072 0.000 3.087 509 H HA 0.534 5.091 4.556 0.001 0.000 0.348 509 H C -1.596 173.795 175.328 0.106 0.000 1.092 509 H CA 0.165 56.200 56.048 -0.023 0.000 1.285 509 H CB 1.711 31.328 29.762 -0.241 0.000 1.875 509 H HN -0.103 nan 8.280 nan 0.000 0.512 510 A N 4.036 126.824 122.820 -0.053 0.000 2.381 510 A HA 0.391 4.712 4.320 0.001 0.000 0.299 510 A C -1.448 176.081 177.584 -0.093 0.000 1.049 510 A CA -0.673 51.441 52.037 0.129 0.000 0.715 510 A CB 1.587 20.694 19.000 0.177 0.000 1.222 510 A HN 0.606 nan 8.150 nan 0.000 0.428 511 D N 2.231 122.658 120.400 0.045 0.000 2.476 511 D HA 0.193 4.833 4.640 0.001 0.000 0.251 511 D C 0.630 176.982 176.300 0.087 0.000 1.291 511 D CA -0.404 53.605 54.000 0.015 0.000 0.939 511 D CB 1.611 42.456 40.800 0.074 0.000 1.221 511 D HN 0.554 nan 8.370 nan 0.000 0.567 512 K N 1.942 122.369 120.400 0.046 0.000 2.160 512 K HA -0.176 4.144 4.320 0.001 0.000 0.206 512 K C 1.242 177.798 176.600 -0.075 0.000 1.047 512 K CA 1.490 57.745 56.287 -0.054 0.000 0.930 512 K CB 0.435 32.792 32.500 -0.238 0.000 0.720 512 K HN 0.408 nan 8.250 nan 0.000 0.450 513 Q N -1.181 118.595 119.800 -0.040 0.000 2.287 513 Q HA 0.098 4.439 4.340 0.001 0.000 0.201 513 Q C 2.025 178.017 176.000 -0.012 0.000 0.946 513 Q CA 0.998 56.777 55.803 -0.039 0.000 0.868 513 Q CB 0.096 28.810 28.738 -0.040 0.000 0.967 513 Q HN 0.319 nan 8.270 nan 0.000 0.516 514 A N 1.310 124.137 122.820 0.012 0.000 2.014 514 A HA -0.127 4.193 4.320 0.001 0.000 0.218 514 A C 0.719 178.319 177.584 0.027 0.000 1.163 514 A CA 1.028 53.076 52.037 0.017 0.000 0.652 514 A CB -0.424 18.603 19.000 0.044 0.000 0.808 514 A HN 0.524 nan 8.150 nan 0.000 0.449 515 N N -2.058 116.685 118.700 0.072 0.000 2.738 515 N HA -0.140 4.600 4.740 0.001 0.000 0.249 515 N C -0.674 174.924 175.510 0.148 0.000 1.047 515 N CA 0.728 53.846 53.050 0.113 0.000 0.707 515 N CB -1.585 36.909 38.487 0.012 0.000 0.937 515 N HN 0.534 nan 8.380 nan 0.000 0.545 516 L N 1.518 122.861 121.223 0.201 0.000 2.305 516 L HA 0.562 4.903 4.340 0.001 0.000 0.284 516 L C -0.703 176.372 176.870 0.342 0.000 1.013 516 L CA -0.950 54.024 54.840 0.224 0.000 0.819 516 L CB 0.721 42.868 42.059 0.147 0.000 1.227 516 L HN 0.219 nan 8.230 nan 0.000 0.417 517 Y N 4.916 125.370 120.300 0.257 0.000 2.468 517 Y HA 0.816 5.367 4.550 0.001 0.000 0.342 517 Y C -0.828 175.235 175.900 0.272 0.000 1.021 517 Y CA -0.821 57.427 58.100 0.247 0.000 1.079 517 Y CB 1.973 40.540 38.460 0.179 0.000 1.226 517 Y HN 0.613 nan 8.280 nan 0.000 0.460 518 A N 5.891 128.402 122.820 -0.516 0.000 2.488 518 A HA 0.706 5.027 4.320 0.001 0.000 0.295 518 A C -2.003 175.493 177.584 -0.146 0.000 1.045 518 A CA -0.488 51.401 52.037 -0.245 0.000 0.703 518 A CB 0.495 19.414 19.000 -0.135 0.000 1.271 518 A HN 0.869 nan 8.150 nan 0.000 0.400 519 F N 0.176 120.192 119.950 0.110 0.000 2.629 519 F HA 0.889 5.416 4.527 0.001 0.000 0.316 519 F C -1.226 174.727 175.800 0.256 0.000 1.081 519 F CA -1.472 56.646 58.000 0.197 0.000 0.954 519 F CB 1.515 40.656 39.000 0.234 0.000 1.337 519 F HN 0.335 nan 8.300 nan 0.000 0.474 520 V N 2.780 122.939 119.914 0.407 0.000 2.577 520 V HA 0.572 4.692 4.120 0.001 0.000 0.303 520 V C -0.693 175.539 176.094 0.231 0.000 1.042 520 V CA -0.769 61.638 62.300 0.178 0.000 0.872 520 V CB 1.789 33.605 31.823 -0.013 0.000 0.998 520 V HN 0.752 nan 8.190 nan 0.000 0.423 521 R N 2.559 123.161 120.500 0.171 0.000 2.460 521 R HA 0.818 5.159 4.340 0.001 0.000 0.303 521 R C -0.771 175.503 176.300 -0.042 0.000 0.968 521 R CA -0.479 55.674 56.100 0.088 0.000 0.889 521 R CB 2.053 32.420 30.300 0.112 0.000 1.123 521 R HN 0.711 nan 8.270 nan 0.000 0.455 522 T N 0.735 115.217 114.554 -0.121 0.000 2.993 522 T HA 0.512 4.862 4.350 0.001 0.000 0.312 522 T C -1.167 173.417 174.700 -0.192 0.000 1.115 522 T CA -0.632 61.288 62.100 -0.300 0.000 1.027 522 T CB 1.973 70.599 68.868 -0.404 0.000 1.116 522 T HN 0.384 nan 8.240 nan 0.000 0.464 523 V N 2.716 122.519 119.914 -0.186 0.000 3.279 523 V HA 0.262 4.382 4.120 0.001 0.000 0.281 523 V C -0.422 175.617 176.094 -0.092 0.000 1.601 523 V CA -0.600 61.633 62.300 -0.111 0.000 1.044 523 V CB 2.331 34.108 31.823 -0.078 0.000 1.205 523 V HN 0.842 nan 8.190 nan 0.000 0.464 524 Q N 1.154 120.924 119.800 -0.051 0.000 2.079 524 Q HA -0.023 4.317 4.340 0.001 0.000 0.200 524 Q C 1.059 177.032 176.000 -0.044 0.000 0.974 524 Q CA 2.368 58.145 55.803 -0.043 0.000 0.840 524 Q CB 0.013 28.741 28.738 -0.017 0.000 0.898 524 Q HN 0.828 nan 8.270 nan 0.000 0.430 525 D N -1.123 119.262 120.400 -0.025 0.000 2.479 525 D HA 0.015 4.656 4.640 0.001 0.000 0.216 525 D C -0.275 176.040 176.300 0.026 0.000 1.110 525 D CA -0.145 53.865 54.000 0.017 0.000 0.841 525 D CB 0.423 41.249 40.800 0.044 0.000 1.040 525 D HN 0.117 nan 8.370 nan 0.000 0.505 526 Q N 0.294 120.067 119.800 -0.044 0.000 2.337 526 Q HA 0.183 4.523 4.340 0.001 0.000 0.270 526 Q C -1.075 174.804 176.000 -0.203 0.000 1.002 526 Q CA 0.274 56.066 55.803 -0.018 0.000 0.888 526 Q CB 0.401 29.166 28.738 0.045 0.000 1.222 526 Q HN 0.205 nan 8.270 nan 0.000 0.400 527 H N 1.138 120.151 119.070 -0.095 0.000 2.865 527 H HA 0.510 5.066 4.556 0.001 0.000 0.362 527 H C -1.331 173.780 175.328 -0.362 0.000 1.114 527 H CA -0.704 55.243 56.048 -0.168 0.000 1.208 527 H CB 2.022 31.716 29.762 -0.112 0.000 1.727 527 H HN 0.464 nan 8.280 nan 0.000 0.534 528 V N 0.975 120.780 119.914 -0.182 0.000 2.638 528 V HA 0.936 5.056 4.120 0.001 0.000 0.306 528 V C -0.355 175.611 176.094 -0.213 0.000 1.052 528 V CA -0.414 61.741 62.300 -0.242 0.000 0.885 528 V CB 1.692 33.493 31.823 -0.037 0.000 0.999 528 V HN 0.927 nan 8.190 nan 0.000 0.424 529 G N 4.480 113.135 108.800 -0.243 0.000 2.502 529 G HA2 0.577 4.537 3.960 0.001 0.000 0.311 529 G HA3 0.577 4.537 3.960 0.001 0.000 0.311 529 G C -0.957 174.011 174.900 0.114 0.000 1.270 529 G CA -0.578 44.526 45.100 0.008 0.000 0.948 529 G HN 1.036 nan 8.290 nan 0.000 0.487 530 V N 3.576 123.381 119.914 -0.183 0.000 2.368 530 V HA 0.211 4.332 4.120 0.001 0.000 0.266 530 V C 0.236 176.246 176.094 -0.141 0.000 1.045 530 V CA -0.395 61.751 62.300 -0.257 0.000 0.899 530 V CB 1.106 32.564 31.823 -0.608 0.000 1.006 530 V HN 0.501 nan 8.190 nan 0.000 0.470 531 V N 7.269 127.199 119.914 0.028 0.000 2.439 531 V HA 0.500 4.620 4.120 0.001 0.000 0.282 531 V C -0.124 176.011 176.094 0.069 0.000 1.039 531 V CA -0.525 61.781 62.300 0.010 0.000 0.913 531 V CB 1.500 33.306 31.823 -0.029 0.000 0.983 531 V HN 0.626 nan 8.190 nan 0.000 0.460 532 L N 3.909 125.206 121.223 0.123 0.000 2.372 532 L HA 0.482 4.822 4.340 0.001 0.000 0.273 532 L C -0.210 176.773 176.870 0.189 0.000 0.989 532 L CA -0.481 54.490 54.840 0.219 0.000 0.841 532 L CB 1.685 43.978 42.059 0.389 0.000 1.225 532 L HN 0.545 nan 8.230 nan 0.000 0.414 533 N N 2.678 121.458 118.700 0.134 0.000 2.807 533 N HA 0.015 4.756 4.740 0.001 0.000 0.259 533 N C 0.264 175.809 175.510 0.059 0.000 1.149 533 N CA 0.203 53.294 53.050 0.069 0.000 1.042 533 N CB 0.165 38.656 38.487 0.007 0.000 1.367 533 N HN 0.525 nan 8.380 nan 0.000 0.516 534 N N 2.562 121.281 118.700 0.033 0.000 2.652 534 N HA 0.044 4.784 4.740 0.001 0.000 0.259 534 N C -0.517 174.949 175.510 -0.074 0.000 1.240 534 N CA 0.114 53.136 53.050 -0.047 0.000 0.951 534 N CB 0.068 38.213 38.487 -0.569 0.000 1.281 534 N HN 0.340 nan 8.380 nan 0.000 0.507 535 R N -1.604 118.783 120.500 -0.189 0.000 2.867 535 R HA 0.248 4.589 4.340 0.001 0.000 0.268 535 R C 0.546 176.403 176.300 -0.738 0.000 1.014 535 R CA -0.649 55.278 56.100 -0.289 0.000 0.946 535 R CB 1.343 31.540 30.300 -0.173 0.000 1.208 535 R HN 0.137 nan 8.270 nan 0.000 0.477 536 G N 0.394 108.863 108.800 -0.552 0.000 3.061 536 G HA2 -0.059 3.902 3.960 0.001 0.000 0.208 536 G HA3 -0.059 3.902 3.960 0.001 0.000 0.208 536 G C 0.130 174.818 174.900 -0.353 0.000 1.175 536 G CA 0.486 45.241 45.100 -0.576 0.000 0.812 536 G HN 0.382 nan 8.290 nan 0.000 0.523 537 E N -0.080 119.936 120.200 -0.307 0.000 2.340 537 E HA 0.403 4.753 4.350 0.001 0.000 0.273 537 E C -0.667 175.840 176.600 -0.154 0.000 0.891 537 E CA -0.965 55.330 56.400 -0.175 0.000 0.757 537 E CB 1.149 30.770 29.700 -0.131 0.000 1.231 537 E HN -0.044 nan 8.360 nan 0.000 0.439 538 K N 3.001 123.338 120.400 -0.105 0.000 2.349 538 K HA 0.193 4.514 4.320 0.001 0.000 0.289 538 K C -0.423 176.137 176.600 -0.067 0.000 1.064 538 K CA 0.174 56.414 56.287 -0.079 0.000 0.947 538 K CB 0.413 32.879 32.500 -0.057 0.000 1.007 538 K HN 0.534 nan 8.250 nan 0.000 0.478 539 Q N 1.212 120.975 119.800 -0.063 0.000 3.105 539 Q HA 0.419 4.759 4.340 0.001 0.000 0.280 539 Q C -0.959 175.012 176.000 -0.048 0.000 1.042 539 Q CA -1.072 54.699 55.803 -0.053 0.000 0.857 539 Q CB 2.120 30.827 28.738 -0.052 0.000 1.468 539 Q HN 0.532 nan 8.270 nan 0.000 0.494 540 T N 0.262 114.787 114.554 -0.050 0.000 3.041 540 T HA 0.549 4.899 4.350 0.001 0.000 0.321 540 T C -1.932 172.719 174.700 -0.081 0.000 1.184 540 T CA -0.599 61.467 62.100 -0.057 0.000 1.050 540 T CB 1.291 70.133 68.868 -0.044 0.000 1.159 540 T HN 0.447 nan 8.240 nan 0.000 0.469 541 V N 3.457 123.296 119.914 -0.125 0.000 2.577 541 V HA 0.655 4.775 4.120 0.001 0.000 0.303 541 V C -0.473 175.493 176.094 -0.213 0.000 1.042 541 V CA -1.126 61.050 62.300 -0.207 0.000 0.872 541 V CB 1.542 33.131 31.823 -0.390 0.000 0.998 541 V HN 0.855 nan 8.190 nan 0.000 0.423 542 L N 5.354 126.473 121.223 -0.172 0.000 2.313 542 L HA 0.528 4.868 4.340 0.001 0.000 0.282 542 L C -0.595 176.123 176.870 -0.254 0.000 1.092 542 L CA -0.023 54.726 54.840 -0.152 0.000 0.831 542 L CB 0.934 42.953 42.059 -0.067 0.000 1.159 542 L HN 0.562 nan 8.230 nan 0.000 0.442 543 L N 3.714 124.765 121.223 -0.286 0.000 2.365 543 L HA 0.419 4.760 4.340 0.001 0.000 0.273 543 L C -0.488 176.321 176.870 -0.101 0.000 1.000 543 L CA -0.843 53.769 54.840 -0.379 0.000 0.819 543 L CB 2.001 43.609 42.059 -0.752 0.000 1.284 543 L HN 0.464 nan 8.230 nan 0.000 0.418 544 Q N 1.558 121.385 119.800 0.044 0.000 2.261 544 Q HA 0.360 4.700 4.340 0.001 0.000 0.252 544 Q C -0.355 175.783 176.000 0.228 0.000 0.915 544 Q CA -0.421 55.444 55.803 0.104 0.000 0.915 544 Q CB 1.669 30.468 28.738 0.102 0.000 1.204 544 Q HN 0.462 nan 8.270 nan 0.000 0.421 545 V N 1.458 121.412 119.914 0.067 0.000 2.788 545 V HA 0.273 4.394 4.120 0.001 0.000 0.307 545 V C -1.776 174.264 176.094 -0.089 0.000 1.069 545 V CA -1.276 60.983 62.300 -0.068 0.000 1.173 545 V CB -0.266 31.432 31.823 -0.209 0.000 0.925 545 V HN 0.735 nan 8.190 nan 0.000 0.492 546 P HA 0.157 nan 4.420 nan 0.000 0.274 546 P C 0.667 177.854 177.300 -0.190 0.000 1.260 546 P CA -0.024 62.906 63.100 -0.284 0.000 0.793 546 P CB 0.788 32.208 31.700 -0.467 0.000 1.048 547 E N 0.382 120.523 120.200 -0.099 0.000 2.031 547 E HA -0.131 4.220 4.350 0.001 0.000 0.193 547 E C 1.706 178.273 176.600 -0.054 0.000 0.994 547 E CA 1.702 58.082 56.400 -0.034 0.000 0.800 547 E CB -1.315 28.406 29.700 0.035 0.000 0.752 547 E HN 0.324 nan 8.360 nan 0.000 0.447 548 S N -0.133 115.524 115.700 -0.071 0.000 2.436 548 S HA 0.280 4.750 4.470 0.001 0.000 0.228 548 S C 0.595 175.134 174.600 -0.102 0.000 1.014 548 S CA 0.805 58.991 58.200 -0.022 0.000 0.950 548 S CB 0.005 63.348 63.200 0.238 0.000 0.784 548 S HN 0.730 nan 8.310 nan 0.000 0.504 549 G N -1.398 107.243 108.800 -0.266 0.000 2.351 549 G HA2 0.450 4.411 3.960 0.001 0.000 0.296 549 G HA3 0.450 4.411 3.960 0.001 0.000 0.296 549 G C -0.655 174.207 174.900 -0.063 0.000 1.685 549 G CA -0.125 44.896 45.100 -0.133 0.000 0.936 549 G HN 0.571 nan 8.290 nan 0.000 0.714 550 G N 0.390 109.160 108.800 -0.050 0.000 1.837 550 G HA2 0.538 4.499 3.960 0.001 0.000 0.207 550 G HA3 0.538 4.499 3.960 0.001 0.000 0.207 550 G C -0.185 174.591 174.900 -0.208 0.000 1.659 550 G CA 0.467 45.541 45.100 -0.043 0.000 0.956 550 G HN 1.035 nan 8.290 nan 0.000 0.655 551 K N 0.462 120.820 120.400 -0.070 0.000 2.350 551 K HA 0.399 4.720 4.320 0.001 0.000 0.196 551 K C 0.775 177.350 176.600 -0.042 0.000 1.084 551 K CA 1.162 57.403 56.287 -0.076 0.000 0.967 551 K CB 0.742 33.221 32.500 -0.036 0.000 0.950 551 K HN 0.478 nan 8.250 nan 0.000 0.512 552 T N 0.410 114.994 114.554 0.049 0.000 2.921 552 T HA 0.442 4.792 4.350 0.001 0.000 0.297 552 T C -1.860 173.009 174.700 0.283 0.000 1.013 552 T CA -0.534 61.619 62.100 0.087 0.000 0.990 552 T CB 1.046 69.937 68.868 0.039 0.000 1.023 552 T HN 0.067 nan 8.240 nan 0.000 0.447 553 W N 2.345 123.588 121.300 -0.094 0.000 2.883 553 W HA 0.705 5.366 4.660 0.001 0.000 0.335 553 W C -1.205 175.292 176.519 -0.037 0.000 1.083 553 W CA -1.256 56.041 57.345 -0.080 0.000 1.233 553 W CB 1.404 30.846 29.460 -0.030 0.000 1.412 553 W HN 0.440 nan 8.180 nan 0.000 0.490 554 L N 3.809 125.087 121.223 0.092 0.000 2.295 554 L HA 0.386 4.726 4.340 0.001 0.000 0.285 554 L C -0.008 176.951 176.870 0.149 0.000 1.035 554 L CA -0.168 54.750 54.840 0.131 0.000 0.806 554 L CB 0.843 43.018 42.059 0.193 0.000 1.214 554 L HN 0.244 nan 8.230 nan 0.000 0.426 555 D N 3.352 123.824 120.400 0.119 0.000 2.363 555 D HA 0.011 4.652 4.640 0.001 0.000 0.263 555 D C 0.803 177.166 176.300 0.105 0.000 1.258 555 D CA 0.103 54.169 54.000 0.110 0.000 0.907 555 D CB 0.924 41.780 40.800 0.092 0.000 1.107 555 D HN 0.719 nan 8.370 nan 0.000 0.495 556 C N 3.887 123.245 119.300 0.095 0.000 2.432 556 C HA -0.039 4.422 4.460 0.001 0.000 0.282 556 C C 2.590 177.608 174.990 0.046 0.000 1.388 556 C CA -0.092 58.959 59.018 0.055 0.000 1.777 556 C CB -0.907 26.832 27.740 -0.002 0.000 1.882 556 C HN 0.669 nan 8.230 nan 0.000 0.520 557 L N -0.304 120.960 121.223 0.068 0.000 1.982 557 L HA -0.096 4.245 4.340 0.001 0.000 0.206 557 L C 2.828 179.744 176.870 0.076 0.000 1.078 557 L CA 1.944 56.834 54.840 0.083 0.000 0.749 557 L CB -1.054 41.071 42.059 0.111 0.000 0.894 557 L HN 0.232 nan 8.230 nan 0.000 0.436 558 T N -1.926 112.673 114.554 0.075 0.000 2.925 558 T HA 0.319 4.670 4.350 0.001 0.000 0.245 558 T C 0.422 175.164 174.700 0.070 0.000 1.025 558 T CA 0.812 62.953 62.100 0.068 0.000 1.149 558 T CB 0.276 69.183 68.868 0.065 0.000 0.866 558 T HN 0.535 nan 8.240 nan 0.000 0.437 559 G N 0.481 109.327 108.800 0.077 0.000 2.352 559 G HA2 0.259 4.220 3.960 0.001 0.000 0.305 559 G HA3 0.259 4.220 3.960 0.001 0.000 0.305 559 G C -1.531 173.415 174.900 0.075 0.000 1.537 559 G CA -0.862 44.284 45.100 0.076 0.000 0.959 559 G HN 0.289 nan 8.290 nan 0.000 0.668 560 E N 0.186 120.429 120.200 0.072 0.000 2.417 560 E HA 0.248 4.599 4.350 0.001 0.000 0.261 560 E C -0.047 176.553 176.600 0.000 0.000 1.000 560 E CA 0.076 56.508 56.400 0.054 0.000 0.919 560 E CB 0.456 30.191 29.700 0.058 0.000 0.955 560 E HN 0.257 nan 8.360 nan 0.000 0.455 561 E N 4.411 124.567 120.200 -0.074 0.000 2.464 561 E HA 0.031 4.382 4.350 0.001 0.000 0.260 561 E C 0.075 176.477 176.600 -0.329 0.000 1.318 561 E CA -0.119 56.060 56.400 -0.367 0.000 1.571 561 E CB 0.881 30.450 29.700 -0.219 0.000 1.525 561 E HN 0.347 nan 8.360 nan 0.000 0.449 562 V N 2.067 121.880 119.914 -0.167 0.000 3.494 562 V HA -0.162 3.959 4.120 0.001 0.000 0.272 562 V C 0.135 176.255 176.094 0.042 0.000 1.233 562 V CA 0.991 63.282 62.300 -0.015 0.000 1.205 562 V CB -0.851 31.010 31.823 0.063 0.000 0.958 562 V HN 0.365 nan 8.190 nan 0.000 0.495 563 H N 0.067 119.149 119.070 0.020 0.000 2.591 563 H HA 0.418 4.975 4.556 0.001 0.000 0.302 563 H C 0.999 176.310 175.328 -0.028 0.000 1.163 563 H CA -0.261 55.785 56.048 -0.003 0.000 1.049 563 H CB -0.031 29.730 29.762 -0.002 0.000 1.543 563 H HN 0.364 nan 8.280 nan 0.000 0.523 564 G N 1.107 109.914 108.800 0.012 0.000 2.546 564 G HA2 0.278 4.238 3.960 0.001 0.000 0.320 564 G HA3 0.278 4.238 3.960 0.001 0.000 0.320 564 G C -0.116 174.768 174.900 -0.026 0.000 0.984 564 G CA -0.490 44.580 45.100 -0.050 0.000 1.183 564 G HN 0.151 nan 8.290 nan 0.000 0.443 565 K N 2.571 122.962 120.400 -0.015 0.000 2.463 565 K HA 0.276 4.597 4.320 0.001 0.000 0.255 565 K C 0.067 176.655 176.600 -0.020 0.000 0.942 565 K CA -0.522 55.758 56.287 -0.012 0.000 0.814 565 K CB 0.887 33.387 32.500 0.001 0.000 1.122 565 K HN 0.544 nan 8.250 nan 0.000 0.425 566 Q N 1.959 121.746 119.800 -0.023 0.000 2.468 566 Q HA -0.230 4.111 4.340 0.001 0.000 0.289 566 Q C 0.464 176.449 176.000 -0.025 0.000 1.299 566 Q CA 0.951 56.742 55.803 -0.021 0.000 0.838 566 Q CB -1.689 27.040 28.738 -0.014 0.000 1.195 566 Q HN 1.210 nan 8.270 nan 0.000 0.456 567 G N -0.933 107.844 108.800 -0.038 0.000 2.159 567 G HA2 -0.327 3.634 3.960 0.001 0.000 0.256 567 G HA3 -0.327 3.634 3.960 0.001 0.000 0.256 567 G C -0.097 174.781 174.900 -0.038 0.000 0.977 567 G CA 0.571 45.646 45.100 -0.042 0.000 0.652 567 G HN 0.385 nan 8.290 nan 0.000 0.531 568 Q N -1.133 118.643 119.800 -0.040 0.000 2.397 568 Q HA 0.753 5.093 4.340 0.001 0.000 0.275 568 Q C -1.127 174.844 176.000 -0.049 0.000 1.090 568 Q CA -1.005 54.774 55.803 -0.039 0.000 0.809 568 Q CB 2.635 31.355 28.738 -0.029 0.000 1.362 568 Q HN 0.291 nan 8.270 nan 0.000 0.431 569 L N 1.650 122.836 121.223 -0.063 0.000 2.346 569 L HA 0.536 4.876 4.340 0.001 0.000 0.276 569 L C -1.389 175.444 176.870 -0.062 0.000 1.006 569 L CA -0.159 54.647 54.840 -0.056 0.000 0.817 569 L CB 1.516 43.531 42.059 -0.074 0.000 1.272 569 L HN 0.477 nan 8.230 nan 0.000 0.421 570 K N 5.613 126.011 120.400 -0.003 0.000 2.450 570 K HA 0.673 4.993 4.320 0.001 0.000 0.257 570 K C -1.837 174.796 176.600 0.054 0.000 0.953 570 K CA -0.498 55.783 56.287 -0.010 0.000 0.844 570 K CB 0.874 33.370 32.500 -0.008 0.000 1.103 570 K HN 0.687 nan 8.250 nan 0.000 0.429 571 L N 2.153 123.373 121.223 -0.005 0.000 2.354 571 L HA 0.529 4.869 4.340 0.001 0.000 0.264 571 L C -0.440 176.425 176.870 -0.008 0.000 1.008 571 L CA -1.021 53.837 54.840 0.030 0.000 0.819 571 L CB 2.425 44.476 42.059 -0.013 0.000 1.339 571 L HN 0.525 nan 8.230 nan 0.000 0.420 572 T N 3.387 117.948 114.554 0.011 0.000 2.815 572 T HA 0.502 4.852 4.350 0.001 0.000 0.289 572 T C -0.543 174.154 174.700 -0.005 0.000 1.000 572 T CA -0.435 61.658 62.100 -0.012 0.000 0.958 572 T CB 0.850 69.709 68.868 -0.015 0.000 0.944 572 T HN 0.153 nan 8.240 nan 0.000 0.442 573 L N 4.410 125.621 121.223 -0.020 0.000 2.289 573 L HA 0.527 4.867 4.340 0.001 0.000 0.285 573 L C 1.047 177.902 176.870 -0.025 0.000 1.049 573 L CA -0.680 54.153 54.840 -0.012 0.000 0.804 573 L CB 1.156 43.206 42.059 -0.015 0.000 1.195 573 L HN 0.684 nan 8.230 nan 0.000 0.428 574 R N 3.660 124.151 120.500 -0.015 0.000 2.652 574 R HA 0.418 4.758 4.340 0.001 0.000 0.271 574 R C -2.442 173.821 176.300 -0.062 0.000 1.129 574 R CA -1.536 54.545 56.100 -0.032 0.000 1.200 574 R CB -0.417 29.876 30.300 -0.012 0.000 1.146 574 R HN 0.248 nan 8.270 nan 0.000 0.581 575 P HA -0.063 nan 4.420 nan 0.000 0.261 575 P C -1.135 176.089 177.300 -0.127 0.000 1.183 575 P CA 0.492 63.445 63.100 -0.246 0.000 0.761 575 P CB -0.150 31.412 31.700 -0.229 0.000 0.785 576 Y N -0.412 119.886 120.300 -0.003 0.000 4.079 576 Y HA -0.260 4.290 4.550 0.001 0.000 0.223 576 Y C 0.808 176.723 175.900 0.026 0.000 1.155 576 Y CA 0.714 58.822 58.100 0.013 0.000 1.805 576 Y CB -2.546 35.921 38.460 0.011 0.000 1.571 576 Y HN 0.455 nan 8.280 nan 0.000 0.654 577 Q N 0.906 120.773 119.800 0.113 0.000 2.274 577 Q HA 0.549 4.889 4.340 0.001 0.000 0.256 577 Q C 0.784 176.853 176.000 0.114 0.000 0.927 577 Q CA 0.175 56.034 55.803 0.094 0.000 0.939 577 Q CB 1.146 29.916 28.738 0.053 0.000 1.201 577 Q HN 0.428 nan 8.270 nan 0.000 0.426 578 G N 3.447 112.328 108.800 0.135 0.000 2.477 578 G HA2 0.607 4.567 3.960 0.001 0.000 0.304 578 G HA3 0.607 4.567 3.960 0.001 0.000 0.304 578 G C -0.763 174.206 174.900 0.115 0.000 1.175 578 G CA -0.580 44.606 45.100 0.144 0.000 0.907 578 G HN 0.662 nan 8.290 nan 0.000 0.509 579 M N 0.043 119.705 119.600 0.103 0.000 2.484 579 M HA 0.409 4.889 4.480 0.001 0.000 0.289 579 M C -1.185 175.173 176.300 0.096 0.000 1.206 579 M CA -0.383 54.976 55.300 0.099 0.000 0.892 579 M CB 3.076 35.732 32.600 0.092 0.000 1.712 579 M HN 0.228 nan 8.290 nan 0.000 0.462 580 I N 4.163 124.788 120.570 0.091 0.000 2.464 580 I HA 0.268 4.439 4.170 0.001 0.000 0.277 580 I C -1.136 175.026 176.117 0.075 0.000 1.040 580 I CA -0.660 60.677 61.300 0.062 0.000 1.153 580 I CB 1.049 39.073 38.000 0.040 0.000 1.274 580 I HN 0.375 nan 8.210 nan 0.000 0.469 581 L N 5.689 126.963 121.223 0.086 0.000 2.270 581 L HA 0.243 4.584 4.340 0.001 0.000 0.286 581 L C -0.260 176.478 176.870 -0.219 0.000 1.059 581 L CA -0.150 54.739 54.840 0.083 0.000 0.839 581 L CB 0.063 42.358 42.059 0.393 0.000 1.221 581 L HN 0.571 nan 8.230 nan 0.000 0.431 582 W N 5.203 126.301 121.300 -0.337 0.000 2.161 582 W HA 0.181 4.841 4.660 0.001 0.000 0.344 582 W C 1.332 177.461 176.519 -0.650 0.000 1.262 582 W CA -0.269 56.811 57.345 -0.442 0.000 1.270 582 W CB 0.717 30.043 29.460 -0.223 0.000 1.126 582 W HN 0.668 nan 8.180 nan 0.000 0.598 583 N N 1.895 119.933 118.700 -1.104 0.000 2.388 583 N HA 0.134 4.874 4.740 0.001 0.000 0.176 583 N C 1.121 175.982 175.510 -1.082 0.000 1.062 583 N CA 1.007 53.438 53.050 -1.032 0.000 0.895 583 N CB 0.197 38.350 38.487 -0.558 0.000 1.018 583 N HN 0.932 nan 8.380 nan 0.000 0.456 584 G N -0.118 107.508 108.800 -1.956 0.000 2.192 584 G HA2 -0.189 3.771 3.960 0.001 0.000 0.193 584 G HA3 -0.189 3.771 3.960 0.001 0.000 0.193 584 G C 0.018 174.592 174.900 -0.543 0.000 0.999 584 G CA -0.233 43.971 45.100 -1.493 0.000 0.659 584 G HN 0.340 nan 8.290 nan 0.000 0.503 585 R N 0.000 120.296 120.500 -0.340 0.000 2.786 585 R HA 0.000 4.340 4.340 0.001 0.000 0.208 585 R CA 0.000 56.081 56.100 -0.032 0.000 0.921 585 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535