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 1pgu_1_B DATA FIRST_RESID 2 DATA SEQUENCE SSISLKEIIP PQPSTQRNFT THLSYDPTTN AIAYPCGKSA FVRCLDDGDS DATA SEQUENCE KVPPVVQFTG HGSSVVTTVK FSPIKGSQYL CSGDESGKVI VWGWTFDKES DATA SEQUENCE NSVEVNVKSE FQVLAGPISD ISWDFEGRRL CVVGEGRDNF GVFISWDSGN DATA SEQUENCE SLGEVSGHSQ RINACHLKQS RPXRSXTVGD DGSVVFYQGP PFKFSASDRT DATA SEQUENCE HHKQGSFVRD VEFSPDSGEF VITVGSDRKI SCFDGKSGEF LKYIEDDQEP DATA SEQUENCE VQGGIFALSW LDSQKFATVG ADATIRVWDV TTSKCVQKWT LDKQQLGNQQ DATA SEQUENCE VGVVATGNGR IISLSLDGTL NFYELGHDEV LKTISGHNKG ITALTVNPLI DATA SEQUENCE SGSYDGRIXE WSSSSXHQDH SNLIVSLDNS KAQEYSSISW DDTLKVNGIT DATA SEQUENCE KHEFGSQPKV ASANNDGFTA VLTNDDDLLI LQSFTGDIIK SVRLNSPGSA DATA SEQUENCE VSLSQNYVAV GLEEGNTIQV FKLSDLEVSF DLKTPLRAKP SYISISPSET DATA SEQUENCE YIAAGDVXGK ILLYDLQSRE VKTSRWAFRT SKINAISWKP AEXXXXXXEI DATA SEQUENCE EEDLVATGSL DTNIFIYSVK RPXKIIKALN AHKDGVNNLL WETPSTLVSS DATA SEQUENCE GADACIKRWN VVLE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.583 174.600 -0.028 0.000 1.055 2 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 2 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 3 S N 3.732 119.422 115.700 -0.017 0.000 2.611 3 S HA 0.789 5.259 4.470 0.000 0.000 0.268 3 S C -1.657 172.935 174.600 -0.014 0.000 1.156 3 S CA -0.902 57.282 58.200 -0.027 0.000 0.817 3 S CB 1.021 64.215 63.200 -0.009 0.000 1.122 3 S HN 0.689 nan 8.310 nan 0.000 0.466 4 I N 2.379 122.934 120.570 -0.025 0.000 2.448 4 I HA 0.456 4.626 4.170 0.000 0.000 0.281 4 I C -0.457 175.732 176.117 0.121 0.000 1.027 4 I CA -0.395 60.904 61.300 -0.002 0.000 1.111 4 I CB 1.948 39.848 38.000 -0.167 0.000 1.236 4 I HN 0.809 nan 8.210 nan 0.000 0.452 5 S N 5.930 121.747 115.700 0.196 0.000 2.503 5 S HA 0.610 5.080 4.470 0.000 0.000 0.301 5 S C -0.617 174.129 174.600 0.243 0.000 1.087 5 S CA -0.859 57.472 58.200 0.219 0.000 1.042 5 S CB 2.202 65.465 63.200 0.104 0.000 1.043 5 S HN 0.463 nan 8.310 nan 0.000 0.489 6 L N 2.465 123.757 121.223 0.115 0.000 2.559 6 L HA 0.289 4.629 4.340 0.000 0.000 0.274 6 L C 1.079 177.804 176.870 -0.242 0.000 1.205 6 L CA 0.914 55.542 54.840 -0.354 0.000 0.907 6 L CB 0.155 41.961 42.059 -0.423 0.000 1.153 6 L HN 1.042 nan 8.230 nan 0.000 0.490 7 K N 3.297 123.502 120.400 -0.325 0.000 2.350 7 K HA 0.196 4.517 4.320 0.000 0.000 0.196 7 K C -0.004 176.465 176.600 -0.219 0.000 1.084 7 K CA 0.205 56.378 56.287 -0.190 0.000 0.967 7 K CB 0.466 32.892 32.500 -0.123 0.000 0.950 7 K HN 0.779 nan 8.250 nan 0.000 0.512 8 E N 0.345 120.348 120.200 -0.327 0.000 2.363 8 E HA 0.263 4.613 4.350 0.000 0.000 0.281 8 E C -1.810 174.589 176.600 -0.335 0.000 0.953 8 E CA -0.711 55.523 56.400 -0.276 0.000 0.778 8 E CB 1.348 30.918 29.700 -0.217 0.000 1.220 8 E HN 0.037 nan 8.360 nan 0.000 0.431 9 I N 4.338 124.750 120.570 -0.263 0.000 2.418 9 I HA 0.351 4.521 4.170 0.000 0.000 0.287 9 I C -0.410 175.593 176.117 -0.189 0.000 1.008 9 I CA -0.289 60.870 61.300 -0.235 0.000 1.104 9 I CB 1.597 39.480 38.000 -0.195 0.000 1.264 9 I HN 0.486 nan 8.210 nan 0.000 0.438 10 I N 8.703 129.149 120.570 -0.207 0.000 2.310 10 I HA 0.290 4.460 4.170 0.000 0.000 0.287 10 I C -1.987 174.047 176.117 -0.138 0.000 1.073 10 I CA -1.651 59.516 61.300 -0.220 0.000 1.216 10 I CB 0.758 38.503 38.000 -0.425 0.000 1.415 10 I HN 0.322 nan 8.210 nan 0.000 0.480 11 P HA 0.253 nan 4.420 nan 0.000 0.274 11 P C -2.624 174.570 177.300 -0.178 0.000 1.246 11 P CA -1.260 61.718 63.100 -0.204 0.000 0.795 11 P CB 0.219 31.814 31.700 -0.175 0.000 1.006 12 P HA 0.181 nan 4.420 nan 0.000 0.279 12 P C -0.249 177.003 177.300 -0.080 0.000 1.276 12 P CA -0.232 62.780 63.100 -0.147 0.000 0.801 12 P CB 0.637 32.225 31.700 -0.187 0.000 1.127 13 Q N -0.367 119.398 119.800 -0.058 0.000 2.316 13 Q HA 0.376 4.716 4.340 0.000 0.000 0.215 13 Q C -2.058 173.842 176.000 -0.166 0.000 1.020 13 Q CA -1.790 53.917 55.803 -0.159 0.000 0.970 13 Q CB -0.972 27.683 28.738 -0.138 0.000 1.187 13 Q HN 0.333 nan 8.270 nan 0.000 0.546 14 P HA -0.005 nan 4.420 nan 0.000 0.271 14 P C -0.445 176.841 177.300 -0.024 0.000 1.216 14 P CA 0.039 63.034 63.100 -0.174 0.000 0.776 14 P CB 0.569 32.067 31.700 -0.335 0.000 0.881 15 S N 1.605 117.352 115.700 0.079 0.000 2.579 15 S HA 0.401 4.871 4.470 0.000 0.000 0.275 15 S C 0.079 174.682 174.600 0.005 0.000 1.345 15 S CA 0.133 58.358 58.200 0.042 0.000 1.031 15 S CB 0.008 63.250 63.200 0.070 0.000 0.892 15 S HN 0.435 nan 8.310 nan 0.000 0.529 16 T N 1.366 115.913 114.554 -0.011 0.000 2.868 16 T HA 0.501 4.851 4.350 0.000 0.000 0.306 16 T C -1.671 173.026 174.700 -0.005 0.000 1.224 16 T CA -0.612 61.472 62.100 -0.027 0.000 1.012 16 T CB 1.848 70.680 68.868 -0.060 0.000 1.221 16 T HN 0.745 nan 8.240 nan 0.000 0.499 17 Q N 1.444 121.256 119.800 0.020 0.000 2.268 17 Q HA 0.364 4.704 4.340 0.000 0.000 0.266 17 Q C -0.919 175.175 176.000 0.158 0.000 1.006 17 Q CA -0.891 54.968 55.803 0.093 0.000 0.824 17 Q CB 2.721 31.511 28.738 0.087 0.000 1.306 17 Q HN 0.627 nan 8.270 nan 0.000 0.424 18 R N 2.740 123.326 120.500 0.144 0.000 2.585 18 R HA -0.047 4.293 4.340 0.000 0.000 0.275 18 R C -0.057 176.384 176.300 0.234 0.000 1.018 18 R CA 1.066 57.244 56.100 0.130 0.000 1.072 18 R CB 0.157 30.529 30.300 0.119 0.000 0.953 18 R HN 0.731 nan 8.270 nan 0.000 0.419 19 N N 0.938 119.781 118.700 0.238 0.000 2.878 19 N HA -0.230 4.510 4.740 0.000 0.000 0.247 19 N C -1.297 174.271 175.510 0.098 0.000 1.021 19 N CA 1.617 54.840 53.050 0.287 0.000 0.873 19 N CB -1.314 37.211 38.487 0.063 0.000 1.128 19 N HN 0.436 nan 8.380 nan 0.000 0.571 20 F N 0.179 120.315 119.950 0.312 0.000 2.563 20 F HA 0.413 4.940 4.527 0.000 0.000 0.316 20 F C 0.863 176.734 175.800 0.119 0.000 1.076 20 F CA -0.494 57.630 58.000 0.208 0.000 0.921 20 F CB 1.734 40.770 39.000 0.060 0.000 1.209 20 F HN -0.349 nan 8.300 nan 0.000 0.462 21 T N 0.887 115.643 114.554 0.337 0.000 2.909 21 T HA 0.358 4.708 4.350 0.000 0.000 0.289 21 T C -0.315 174.331 174.700 -0.091 0.000 1.005 21 T CA -0.312 61.846 62.100 0.098 0.000 1.084 21 T CB 0.917 69.779 68.868 -0.010 0.000 0.975 21 T HN 0.465 nan 8.240 nan 0.000 0.509 22 T N 3.587 118.060 114.554 -0.136 0.000 2.842 22 T HA 0.230 4.580 4.350 0.000 0.000 0.308 22 T C -0.320 174.333 174.700 -0.078 0.000 1.041 22 T CA -0.632 61.422 62.100 -0.078 0.000 0.964 22 T CB 0.037 68.889 68.868 -0.027 0.000 0.972 22 T HN 0.479 nan 8.240 nan 0.000 0.460 23 H N 4.067 123.212 119.070 0.125 0.000 2.819 23 H HA 0.282 4.838 4.556 0.000 0.000 0.303 23 H C 0.302 175.723 175.328 0.156 0.000 1.058 23 H CA 0.007 56.136 56.048 0.135 0.000 1.471 23 H CB 0.600 30.439 29.762 0.128 0.000 1.480 23 H HN 0.437 nan 8.280 nan 0.000 0.517 24 L N 1.463 122.847 121.223 0.268 0.000 2.376 24 L HA 0.454 4.794 4.340 0.000 0.000 0.267 24 L C 0.691 177.746 176.870 0.308 0.000 1.035 24 L CA -0.633 54.368 54.840 0.269 0.000 0.800 24 L CB 1.370 43.555 42.059 0.209 0.000 1.290 24 L HN 0.415 nan 8.230 nan 0.000 0.462 25 S N -0.657 115.263 115.700 0.366 0.000 2.536 25 S HA 0.582 5.053 4.470 0.000 0.000 0.271 25 S C -1.875 173.125 174.600 0.666 0.000 1.134 25 S CA -0.420 58.058 58.200 0.464 0.000 0.897 25 S CB 1.289 64.731 63.200 0.403 0.000 1.094 25 S HN 0.409 nan 8.310 nan 0.000 0.473 26 Y N 2.382 122.936 120.300 0.422 0.000 2.477 26 Y HA 0.647 5.197 4.550 0.000 0.000 0.347 26 Y C -1.319 174.477 175.900 -0.173 0.000 0.981 26 Y CA -0.841 57.379 58.100 0.199 0.000 1.033 26 Y CB 1.838 40.375 38.460 0.128 0.000 1.245 26 Y HN 0.697 nan 8.280 nan 0.000 0.455 27 D N 6.617 126.076 120.400 -1.568 0.000 2.481 27 D HA 0.449 5.089 4.640 0.000 0.000 0.246 27 D C -2.387 173.145 176.300 -1.281 0.000 1.109 27 D CA -2.438 50.730 54.000 -1.386 0.000 0.845 27 D CB 2.609 42.353 40.800 -1.760 0.000 1.160 27 D HN 0.262 nan 8.370 nan 0.000 0.534 28 P HA -0.094 nan 4.420 nan 0.000 0.215 28 P C 1.218 178.401 177.300 -0.195 0.000 1.157 28 P CA 1.090 64.032 63.100 -0.265 0.000 0.863 28 P CB 0.229 31.922 31.700 -0.011 0.000 0.787 29 T N -0.710 113.723 114.554 -0.202 0.000 2.699 29 T HA -0.160 4.190 4.350 0.000 0.000 0.268 29 T C 1.653 176.295 174.700 -0.096 0.000 1.036 29 T CA 2.378 64.404 62.100 -0.123 0.000 1.147 29 T CB -1.236 67.558 68.868 -0.123 0.000 0.862 29 T HN 0.342 nan 8.240 nan 0.000 0.446 30 T N -1.016 113.441 114.554 -0.160 0.000 3.060 30 T HA 0.184 4.534 4.350 0.000 0.000 0.249 30 T C 0.722 175.376 174.700 -0.077 0.000 1.079 30 T CA 0.193 62.253 62.100 -0.067 0.000 1.013 30 T CB -0.498 68.375 68.868 0.007 0.000 0.975 30 T HN 0.561 nan 8.240 nan 0.000 0.518 31 N N 1.017 119.616 118.700 -0.168 0.000 2.714 31 N HA -0.186 4.554 4.740 0.000 0.000 0.253 31 N C -0.332 175.221 175.510 0.070 0.000 1.024 31 N CA 0.081 53.134 53.050 0.005 0.000 0.726 31 N CB -1.192 37.380 38.487 0.142 0.000 0.908 31 N HN 0.790 nan 8.380 nan 0.000 0.542 32 A N 0.835 123.569 122.820 -0.143 0.000 2.469 32 A HA 0.822 5.142 4.320 0.000 0.000 0.299 32 A C -0.079 177.663 177.584 0.264 0.000 1.098 32 A CA -0.803 51.301 52.037 0.112 0.000 0.737 32 A CB 1.218 20.303 19.000 0.141 0.000 1.312 32 A HN 0.417 nan 8.150 nan 0.000 0.414 33 I N -1.424 119.450 120.570 0.508 0.000 2.530 33 I HA 0.875 5.045 4.170 0.000 0.000 0.297 33 I C -0.076 176.379 176.117 0.563 0.000 1.011 33 I CA -0.925 60.757 61.300 0.636 0.000 1.107 33 I CB 2.090 40.395 38.000 0.509 0.000 1.285 33 I HN 0.684 nan 8.210 nan 0.000 0.436 34 A N 5.119 128.193 122.820 0.423 0.000 2.355 34 A HA 0.946 5.266 4.320 0.000 0.000 0.324 34 A C -1.232 176.479 177.584 0.212 0.000 1.117 34 A CA -0.486 51.551 52.037 0.000 0.000 0.785 34 A CB 1.150 19.782 19.000 -0.613 0.000 1.254 34 A HN 0.981 nan 8.150 nan 0.000 0.453 35 Y N -0.667 119.726 120.300 0.156 0.000 2.662 35 Y HA 0.743 5.293 4.550 0.000 0.000 0.334 35 Y C -3.382 172.649 175.900 0.219 0.000 1.185 35 Y CA -2.374 55.827 58.100 0.168 0.000 1.074 35 Y CB 0.944 39.492 38.460 0.146 0.000 1.330 35 Y HN 0.493 nan 8.280 nan 0.000 0.458 36 P HA 0.478 nan 4.420 nan 0.000 0.283 36 P C -1.188 176.341 177.300 0.381 0.000 1.271 36 P CA -0.386 62.878 63.100 0.274 0.000 0.841 36 P CB 2.503 34.298 31.700 0.158 0.000 1.122 37 C N 1.419 120.920 119.300 0.335 0.000 3.029 37 C HA 0.575 5.035 4.460 0.000 0.000 0.396 37 C C 0.720 175.856 174.990 0.243 0.000 1.072 37 C CA 1.086 60.283 59.018 0.298 0.000 1.269 37 C CB -0.588 27.350 27.740 0.329 0.000 1.684 37 C HN 1.050 nan 8.230 nan 0.000 0.510 38 G N 5.936 114.820 108.800 0.141 0.000 2.556 38 G HA2 -0.247 3.713 3.960 0.000 0.000 0.283 38 G HA3 -0.247 3.713 3.960 0.000 0.000 0.283 38 G C 0.381 175.318 174.900 0.061 0.000 1.177 38 G CA 0.568 45.732 45.100 0.107 0.000 0.978 38 G HN 0.898 nan 8.290 nan 0.000 0.554 39 K N 0.816 121.239 120.400 0.038 0.000 2.446 39 K HA 0.473 4.793 4.320 0.000 0.000 0.203 39 K C 0.194 176.736 176.600 -0.096 0.000 1.027 39 K CA 0.422 56.693 56.287 -0.027 0.000 1.166 39 K CB 0.465 32.946 32.500 -0.032 0.000 0.869 39 K HN 0.295 nan 8.250 nan 0.000 0.504 40 S N 0.365 116.018 115.700 -0.078 0.000 2.599 40 S HA 0.686 5.156 4.470 0.000 0.000 0.294 40 S C -1.074 173.365 174.600 -0.267 0.000 1.094 40 S CA -0.934 57.092 58.200 -0.290 0.000 0.931 40 S CB 2.013 64.928 63.200 -0.475 0.000 1.093 40 S HN 0.245 nan 8.310 nan 0.000 0.488 41 A N 1.639 124.208 122.820 -0.418 0.000 2.331 41 A HA 0.856 5.176 4.320 0.000 0.000 0.320 41 A C -1.324 175.962 177.584 -0.497 0.000 1.138 41 A CA -0.460 51.465 52.037 -0.187 0.000 0.790 41 A CB 0.227 19.318 19.000 0.151 0.000 1.206 41 A HN 0.579 nan 8.150 nan 0.000 0.470 42 F N 0.954 120.760 119.950 -0.240 0.000 2.561 42 F HA 0.630 5.157 4.527 0.000 0.000 0.321 42 F C -0.029 175.542 175.800 -0.381 0.000 1.065 42 F CA -0.805 56.984 58.000 -0.352 0.000 0.934 42 F CB 2.516 41.194 39.000 -0.536 0.000 1.215 42 F HN 0.259 nan 8.300 nan 0.000 0.471 43 V N 2.826 122.720 119.914 -0.033 0.000 2.409 43 V HA 0.475 4.595 4.120 0.000 0.000 0.290 43 V C -0.518 175.595 176.094 0.032 0.000 1.017 43 V CA -0.810 61.481 62.300 -0.014 0.000 0.841 43 V CB 1.570 33.368 31.823 -0.041 0.000 1.003 43 V HN 0.681 nan 8.190 nan 0.000 0.426 44 R N 3.008 123.594 120.500 0.144 0.000 2.387 44 R HA 0.520 4.860 4.340 0.000 0.000 0.314 44 R C -0.644 175.759 176.300 0.172 0.000 0.958 44 R CA -0.379 55.817 56.100 0.160 0.000 0.846 44 R CB 1.460 31.927 30.300 0.277 0.000 1.147 44 R HN 0.773 nan 8.270 nan 0.000 0.447 45 C N 5.970 125.320 119.300 0.084 0.000 2.514 45 C HA 0.252 4.712 4.460 0.000 0.000 0.392 45 C C 1.688 176.751 174.990 0.122 0.000 1.294 45 C CA -0.491 58.578 59.018 0.085 0.000 1.957 45 C CB -0.477 27.271 27.740 0.013 0.000 2.541 45 C HN 0.929 nan 8.230 nan 0.000 0.569 46 L N 3.320 124.646 121.223 0.171 0.000 2.558 46 L HA 0.138 4.478 4.340 0.000 0.000 0.225 46 L C 0.911 177.840 176.870 0.099 0.000 1.128 46 L CA 0.120 55.070 54.840 0.184 0.000 0.868 46 L CB -0.633 41.604 42.059 0.298 0.000 1.006 46 L HN 0.672 nan 8.230 nan 0.000 0.454 47 D N 0.874 121.322 120.400 0.080 0.000 2.364 47 D HA 0.097 4.737 4.640 0.000 0.000 0.236 47 D C -0.312 175.999 176.300 0.018 0.000 1.221 47 D CA 0.633 54.662 54.000 0.049 0.000 0.891 47 D CB 0.790 41.618 40.800 0.046 0.000 1.190 47 D HN -0.004 nan 8.370 nan 0.000 0.449 48 D N -2.069 118.336 120.400 0.008 0.000 2.645 48 D HA 0.540 5.180 4.640 0.000 0.000 0.228 48 D C 0.598 176.897 176.300 -0.001 0.000 1.148 48 D CA 0.208 54.203 54.000 -0.008 0.000 0.860 48 D CB 1.539 42.323 40.800 -0.027 0.000 1.548 48 D HN 0.387 nan 8.370 nan 0.000 0.460 49 G N 2.793 111.590 108.800 -0.004 0.000 3.127 49 G HA2 -0.126 3.834 3.960 0.000 0.000 0.280 49 G HA3 -0.126 3.834 3.960 0.000 0.000 0.280 49 G C -0.803 174.102 174.900 0.009 0.000 1.491 49 G CA 0.501 45.601 45.100 0.001 0.000 1.029 49 G HN 1.000 nan 8.290 nan 0.000 0.582 50 D N -0.430 119.981 120.400 0.017 0.000 2.934 50 D HA 0.690 5.330 4.640 0.000 0.000 0.230 50 D C -0.136 176.186 176.300 0.038 0.000 1.204 50 D CA 0.384 54.401 54.000 0.028 0.000 0.873 50 D CB 1.766 42.583 40.800 0.028 0.000 1.645 50 D HN 1.248 nan 8.370 nan 0.000 0.502 51 S N 0.607 116.339 115.700 0.053 0.000 2.671 51 S HA 0.497 4.967 4.470 0.000 0.000 0.277 51 S C 0.016 174.677 174.600 0.102 0.000 1.165 51 S CA -0.978 57.262 58.200 0.066 0.000 0.822 51 S CB 1.738 64.973 63.200 0.058 0.000 1.150 51 S HN 0.274 nan 8.310 nan 0.000 0.479 52 K N 0.213 120.685 120.400 0.120 0.000 2.379 52 K HA 0.295 4.615 4.320 0.000 0.000 0.194 52 K C 0.134 176.895 176.600 0.268 0.000 1.031 52 K CA 0.279 56.673 56.287 0.179 0.000 1.037 52 K CB -0.080 32.503 32.500 0.138 0.000 0.824 52 K HN 0.501 nan 8.250 nan 0.000 0.516 53 V N 4.028 124.050 119.914 0.181 0.000 2.530 53 V HA 0.128 4.248 4.120 0.000 0.000 0.282 53 V C -2.285 173.784 176.094 -0.041 0.000 1.048 53 V CA -1.880 60.505 62.300 0.140 0.000 0.997 53 V CB 0.811 32.685 31.823 0.086 0.000 0.987 53 V HN 0.014 nan 8.190 nan 0.000 0.477 54 P HA 0.142 nan 4.420 nan 0.000 0.264 54 P C -2.037 175.027 177.300 -0.392 0.000 1.193 54 P CA -0.925 61.761 63.100 -0.690 0.000 0.763 54 P CB 0.132 31.226 31.700 -1.010 0.000 0.810 55 P HA -0.124 nan 4.420 nan 0.000 0.216 55 P C -0.226 176.975 177.300 -0.164 0.000 1.153 55 P CA 1.402 64.399 63.100 -0.172 0.000 0.858 55 P CB 0.227 31.839 31.700 -0.147 0.000 0.789 56 V N -1.534 118.244 119.914 -0.228 0.000 2.851 56 V HA 0.299 4.419 4.120 0.000 0.000 0.307 56 V C -0.624 175.330 176.094 -0.232 0.000 1.129 56 V CA -0.782 61.420 62.300 -0.163 0.000 0.932 56 V CB 2.960 34.741 31.823 -0.071 0.000 1.024 56 V HN -0.408 nan 8.190 nan 0.000 0.426 57 V N 3.773 123.564 119.914 -0.205 0.000 2.531 57 V HA 0.528 4.648 4.120 0.000 0.000 0.301 57 V C -0.427 175.586 176.094 -0.136 0.000 1.034 57 V CA -0.430 61.733 62.300 -0.227 0.000 0.865 57 V CB 1.722 33.297 31.823 -0.414 0.000 0.995 57 V HN 0.949 nan 8.190 nan 0.000 0.424 58 Q N 3.859 123.551 119.800 -0.180 0.000 2.331 58 Q HA 0.548 4.888 4.340 0.000 0.000 0.267 58 Q C -1.945 173.825 176.000 -0.384 0.000 1.006 58 Q CA -0.637 54.925 55.803 -0.402 0.000 0.818 58 Q CB 1.919 30.456 28.738 -0.334 0.000 1.276 58 Q HN 0.647 nan 8.270 nan 0.000 0.450 59 F N 3.549 123.046 119.950 -0.755 0.000 2.402 59 F HA 0.336 4.863 4.527 0.000 0.000 0.355 59 F C 0.306 175.742 175.800 -0.606 0.000 1.123 59 F CA -0.538 56.957 58.000 -0.840 0.000 1.021 59 F CB 1.630 39.640 39.000 -1.650 0.000 1.160 59 F HN 0.582 nan 8.300 nan 0.000 0.451 60 T N 0.692 114.616 114.554 -1.049 0.000 3.092 60 T HA 0.186 4.536 4.350 0.000 0.000 0.258 60 T C 1.756 175.876 174.700 -0.966 0.000 1.031 60 T CA 0.395 62.006 62.100 -0.816 0.000 0.925 60 T CB -0.002 68.596 68.868 -0.451 0.000 1.036 60 T HN 0.668 nan 8.240 nan 0.000 0.544 61 G N 0.742 108.444 108.800 -1.830 0.000 2.527 61 G HA2 -0.170 3.790 3.960 0.000 0.000 0.219 61 G HA3 -0.170 3.790 3.960 0.000 0.000 0.219 61 G C 1.253 175.745 174.900 -0.680 0.000 1.117 61 G CA 0.338 44.750 45.100 -1.147 0.000 0.759 61 G HN 0.612 nan 8.290 nan 0.000 0.556 62 H N 0.580 119.321 119.070 -0.549 0.000 2.547 62 H HA 0.134 4.690 4.556 0.000 0.000 0.266 62 H C 2.202 177.420 175.328 -0.183 0.000 0.988 62 H CA 0.482 56.393 56.048 -0.228 0.000 1.147 62 H CB 0.093 29.766 29.762 -0.149 0.000 1.365 62 H HN 0.414 nan 8.280 nan 0.000 0.589 63 G N 1.191 109.896 108.800 -0.159 0.000 2.634 63 G HA2 -0.433 3.527 3.960 0.000 0.000 0.318 63 G HA3 -0.433 3.527 3.960 0.000 0.000 0.318 63 G C 1.387 176.246 174.900 -0.069 0.000 1.207 63 G CA 1.455 46.486 45.100 -0.115 0.000 0.987 63 G HN 0.500 nan 8.290 nan 0.000 0.547 64 S N -0.542 115.133 115.700 -0.043 0.000 2.593 64 S HA 0.529 4.999 4.470 0.000 0.000 0.217 64 S C 0.889 175.481 174.600 -0.014 0.000 0.966 64 S CA 1.216 59.399 58.200 -0.028 0.000 0.914 64 S CB 0.379 63.564 63.200 -0.026 0.000 0.776 64 S HN 1.375 nan 8.310 nan 0.000 0.523 65 S N 1.632 117.332 115.700 -0.001 0.000 2.442 65 S HA 0.505 4.975 4.470 0.000 0.000 0.297 65 S C -0.045 174.546 174.600 -0.014 0.000 1.131 65 S CA -0.607 57.596 58.200 0.005 0.000 1.092 65 S CB 0.821 64.040 63.200 0.032 0.000 0.998 65 S HN 0.271 nan 8.310 nan 0.000 0.478 66 V N 5.858 125.758 119.914 -0.023 0.000 2.617 66 V HA 0.039 4.159 4.120 0.000 0.000 0.304 66 V C 0.381 176.426 176.094 -0.081 0.000 1.040 66 V CA -0.045 62.236 62.300 -0.032 0.000 1.149 66 V CB 0.710 32.523 31.823 -0.017 0.000 0.914 66 V HN 0.686 nan 8.190 nan 0.000 0.487 67 V N 5.525 125.375 119.914 -0.107 0.000 2.583 67 V HA 0.181 4.301 4.120 0.000 0.000 0.287 67 V C 1.272 177.321 176.094 -0.076 0.000 1.051 67 V CA 0.600 62.785 62.300 -0.192 0.000 1.010 67 V CB 1.218 32.932 31.823 -0.181 0.000 0.988 67 V HN 1.139 nan 8.190 nan 0.000 0.478 68 T N -0.125 114.386 114.554 -0.072 0.000 3.042 68 T HA 0.152 4.502 4.350 0.000 0.000 0.245 68 T C 0.618 175.358 174.700 0.067 0.000 1.029 68 T CA 0.690 62.791 62.100 0.002 0.000 1.120 68 T CB 0.335 69.204 68.868 0.002 0.000 0.917 68 T HN 0.782 nan 8.240 nan 0.000 0.467 69 T N -0.496 114.097 114.554 0.066 0.000 2.889 69 T HA 0.675 5.025 4.350 0.000 0.000 0.315 69 T C -1.569 173.205 174.700 0.123 0.000 1.291 69 T CA -0.811 61.364 62.100 0.126 0.000 1.028 69 T CB 2.174 71.128 68.868 0.143 0.000 1.235 69 T HN 0.110 nan 8.240 nan 0.000 0.491 70 V N 2.166 122.168 119.914 0.147 0.000 2.569 70 V HA 0.669 4.789 4.120 0.000 0.000 0.301 70 V C -1.121 175.021 176.094 0.081 0.000 1.044 70 V CA -0.889 61.492 62.300 0.135 0.000 0.874 70 V CB 1.909 33.813 31.823 0.134 0.000 1.002 70 V HN 0.874 nan 8.190 nan 0.000 0.424 71 K N 4.029 124.485 120.400 0.093 0.000 2.426 71 K HA 0.595 4.915 4.320 0.000 0.000 0.254 71 K C -0.840 175.906 176.600 0.244 0.000 0.936 71 K CA -0.484 55.921 56.287 0.198 0.000 0.801 71 K CB 2.199 34.892 32.500 0.323 0.000 1.139 71 K HN 0.438 nan 8.250 nan 0.000 0.424 72 F N 0.820 120.866 119.950 0.159 0.000 2.506 72 F HA 0.033 4.560 4.527 0.000 0.000 0.351 72 F C 1.759 177.410 175.800 -0.247 0.000 1.136 72 F CA 0.365 58.352 58.000 -0.022 0.000 1.298 72 F CB 0.642 39.605 39.000 -0.061 0.000 1.145 72 F HN 0.371 nan 8.300 nan 0.000 0.593 73 S N 2.589 118.036 115.700 -0.422 0.000 2.585 73 S HA 0.221 4.691 4.470 0.000 0.000 0.273 73 S C -1.634 172.614 174.600 -0.587 0.000 1.339 73 S CA -1.236 56.209 58.200 -1.257 0.000 1.028 73 S CB 0.947 63.407 63.200 -1.233 0.000 0.906 73 S HN 0.371 nan 8.310 nan 0.000 0.528 74 P HA 0.214 nan 4.420 nan 0.000 0.236 74 P C -0.225 176.945 177.300 -0.216 0.000 1.177 74 P CA 0.406 63.373 63.100 -0.222 0.000 0.773 74 P CB -0.075 31.570 31.700 -0.091 0.000 0.878 75 I N 0.943 121.319 120.570 -0.322 0.000 2.421 75 I HA 0.015 4.185 4.170 0.000 0.000 0.291 75 I C 0.702 176.668 176.117 -0.252 0.000 1.089 75 I CA -0.369 60.765 61.300 -0.276 0.000 1.354 75 I CB 0.041 37.825 38.000 -0.361 0.000 1.413 75 I HN -0.177 nan 8.210 nan 0.000 0.513 76 K N 5.197 125.487 120.400 -0.183 0.000 2.530 76 K HA 0.003 4.323 4.320 0.000 0.000 0.280 76 K C 1.266 177.756 176.600 -0.183 0.000 1.004 76 K CA 0.888 57.077 56.287 -0.163 0.000 1.071 76 K CB 0.149 32.579 32.500 -0.117 0.000 0.876 76 K HN 0.980 nan 8.250 nan 0.000 0.487 77 G N 1.702 110.398 108.800 -0.174 0.000 2.196 77 G HA2 -0.387 3.573 3.960 0.000 0.000 0.268 77 G HA3 -0.387 3.573 3.960 0.000 0.000 0.268 77 G C 1.036 175.771 174.900 -0.276 0.000 0.975 77 G CA 0.999 45.987 45.100 -0.186 0.000 0.648 77 G HN 0.715 nan 8.290 nan 0.000 0.538 78 S N -0.497 115.002 115.700 -0.335 0.000 2.419 78 S HA -0.059 4.411 4.470 0.000 0.000 0.233 78 S C 1.393 175.695 174.600 -0.497 0.000 1.016 78 S CA 1.655 59.548 58.200 -0.510 0.000 0.974 78 S CB -0.311 62.517 63.200 -0.621 0.000 0.786 78 S HN 1.209 nan 8.310 nan 0.000 0.492 79 Q N -0.357 119.250 119.800 -0.321 0.000 2.481 79 Q HA -0.196 4.144 4.340 0.000 0.000 0.272 79 Q C -0.904 175.036 176.000 -0.101 0.000 1.157 79 Q CA 0.885 56.495 55.803 -0.322 0.000 0.935 79 Q CB -1.989 26.177 28.738 -0.954 0.000 1.338 79 Q HN 0.796 nan 8.270 nan 0.000 0.494 80 Y N -0.778 119.350 120.300 -0.288 0.000 2.496 80 Y HA 0.690 5.240 4.550 0.000 0.000 0.331 80 Y C 0.272 175.950 175.900 -0.371 0.000 1.140 80 Y CA -1.462 56.443 58.100 -0.326 0.000 1.166 80 Y CB 1.092 39.335 38.460 -0.362 0.000 1.249 80 Y HN -0.008 nan 8.280 nan 0.000 0.479 81 L N 1.378 122.335 121.223 -0.443 0.000 2.568 81 L HA 0.493 4.833 4.340 0.000 0.000 0.257 81 L C -1.462 175.189 176.870 -0.366 0.000 1.024 81 L CA -0.460 54.082 54.840 -0.496 0.000 0.854 81 L CB 2.144 43.515 42.059 -1.147 0.000 1.460 81 L HN 0.655 nan 8.230 nan 0.000 0.409 82 C N 0.865 120.162 119.300 -0.005 0.000 2.535 82 C HA 0.920 5.380 4.460 0.000 0.000 0.319 82 C C -0.587 174.473 174.990 0.116 0.000 1.171 82 C CA -0.191 58.823 59.018 -0.007 0.000 1.394 82 C CB 0.640 28.207 27.740 -0.288 0.000 1.990 82 C HN 0.864 nan 8.230 nan 0.000 0.466 83 S N 3.956 119.848 115.700 0.320 0.000 2.570 83 S HA 0.949 5.419 4.470 0.000 0.000 0.286 83 S C -0.438 174.356 174.600 0.324 0.000 1.099 83 S CA -0.335 58.084 58.200 0.365 0.000 0.913 83 S CB 1.729 65.290 63.200 0.602 0.000 1.085 83 S HN 1.460 nan 8.310 nan 0.000 0.480 84 G N 0.319 109.177 108.800 0.095 0.000 2.569 84 G HA2 0.713 4.673 3.960 0.000 0.000 0.300 84 G HA3 0.713 4.673 3.960 0.000 0.000 0.300 84 G C -1.688 173.119 174.900 -0.155 0.000 1.269 84 G CA -0.795 44.341 45.100 0.060 0.000 0.959 84 G HN 0.882 nan 8.290 nan 0.000 0.478 85 D N -1.970 118.386 120.400 -0.073 0.000 2.614 85 D HA 0.292 4.932 4.640 0.000 0.000 0.264 85 D C 0.627 176.911 176.300 -0.028 0.000 1.092 85 D CA -0.776 53.161 54.000 -0.105 0.000 1.071 85 D CB 1.131 41.891 40.800 -0.066 0.000 1.443 85 D HN 0.356 nan 8.370 nan 0.000 0.528 86 E N -0.659 119.522 120.200 -0.032 0.000 2.338 86 E HA -0.107 4.243 4.350 0.000 0.000 0.197 86 E C 1.304 177.900 176.600 -0.007 0.000 1.007 86 E CA 1.166 57.553 56.400 -0.023 0.000 0.849 86 E CB -0.101 29.580 29.700 -0.032 0.000 0.774 86 E HN 0.510 nan 8.360 nan 0.000 0.506 87 S N -0.545 115.160 115.700 0.009 0.000 2.562 87 S HA 0.117 4.587 4.470 0.000 0.000 0.221 87 S C 1.591 176.203 174.600 0.020 0.000 0.975 87 S CA 0.351 58.560 58.200 0.015 0.000 0.918 87 S CB 0.320 63.535 63.200 0.025 0.000 0.772 87 S HN 0.344 nan 8.310 nan 0.000 0.531 88 G N 0.870 109.685 108.800 0.025 0.000 2.132 88 G HA2 -0.270 3.690 3.960 0.000 0.000 0.234 88 G HA3 -0.270 3.690 3.960 0.000 0.000 0.234 88 G C -0.169 174.763 174.900 0.054 0.000 0.989 88 G CA 0.223 45.338 45.100 0.026 0.000 0.676 88 G HN 0.786 nan 8.290 nan 0.000 0.522 89 K N 0.391 120.844 120.400 0.089 0.000 2.185 89 K HA 0.674 4.994 4.320 0.000 0.000 0.269 89 K C -0.054 176.663 176.600 0.195 0.000 0.987 89 K CA -0.699 55.662 56.287 0.123 0.000 0.865 89 K CB 1.562 34.128 32.500 0.110 0.000 1.090 89 K HN 0.034 nan 8.250 nan 0.000 0.450 90 V N 5.978 125.998 119.914 0.177 0.000 2.547 90 V HA 0.500 4.620 4.120 0.000 0.000 0.299 90 V C -0.241 175.955 176.094 0.170 0.000 1.040 90 V CA -0.758 61.666 62.300 0.206 0.000 0.913 90 V CB 1.461 33.373 31.823 0.148 0.000 0.992 90 V HN 0.711 nan 8.190 nan 0.000 0.449 91 I N 3.877 124.573 120.570 0.211 0.000 2.582 91 I HA 0.481 4.652 4.170 0.000 0.000 0.292 91 I C -0.885 175.338 176.117 0.176 0.000 1.066 91 I CA -0.921 60.450 61.300 0.118 0.000 1.053 91 I CB 2.325 40.355 38.000 0.050 0.000 1.241 91 I HN 0.224 nan 8.210 nan 0.000 0.421 92 V N 5.785 125.749 119.914 0.084 0.000 2.370 92 V HA 0.470 4.590 4.120 0.000 0.000 0.279 92 V C -0.670 175.412 176.094 -0.021 0.000 1.029 92 V CA -0.281 62.049 62.300 0.050 0.000 0.870 92 V CB 1.115 33.059 31.823 0.203 0.000 0.984 92 V HN 0.734 nan 8.190 nan 0.000 0.451 93 W N 3.052 124.159 121.300 -0.322 0.000 3.029 93 W HA 0.898 5.558 4.660 0.000 0.000 0.339 93 W C -0.333 175.980 176.519 -0.342 0.000 1.198 93 W CA -1.336 55.747 57.345 -0.438 0.000 1.148 93 W CB 1.843 30.808 29.460 -0.824 0.000 1.451 93 W HN 0.763 nan 8.180 nan 0.000 0.564 94 G N 0.683 109.517 108.800 0.056 0.000 2.619 94 G HA2 0.752 4.712 3.960 0.000 0.000 0.296 94 G HA3 0.752 4.712 3.960 0.000 0.000 0.296 94 G C -1.602 173.512 174.900 0.356 0.000 1.334 94 G CA -0.911 44.271 45.100 0.137 0.000 0.934 94 G HN 0.775 nan 8.290 nan 0.000 0.476 95 W N -0.171 121.271 121.300 0.236 0.000 2.929 95 W HA 0.846 5.506 4.660 0.000 0.000 0.345 95 W C -1.450 175.178 176.519 0.181 0.000 1.151 95 W CA -1.246 56.234 57.345 0.225 0.000 1.111 95 W CB 1.118 30.728 29.460 0.250 0.000 1.449 95 W HN 0.599 nan 8.180 nan 0.000 0.572 96 T N 1.894 116.694 114.554 0.410 0.000 2.923 96 T HA 0.532 4.882 4.350 0.000 0.000 0.311 96 T C -2.051 172.987 174.700 0.562 0.000 1.183 96 T CA -0.281 61.954 62.100 0.224 0.000 1.020 96 T CB 2.180 71.104 68.868 0.095 0.000 1.165 96 T HN 0.366 nan 8.240 nan 0.000 0.482 97 F N 2.155 122.298 119.950 0.322 0.000 2.588 97 F HA 0.564 5.091 4.527 0.000 0.000 0.310 97 F C -0.745 175.150 175.800 0.158 0.000 1.082 97 F CA -0.951 57.221 58.000 0.287 0.000 0.929 97 F CB 1.291 40.529 39.000 0.397 0.000 1.254 97 F HN 0.644 nan 8.300 nan 0.000 0.455 98 D N 4.350 124.307 120.400 -0.739 0.000 4.543 98 D HA -0.188 4.452 4.640 0.000 0.000 0.236 98 D C -0.407 175.728 176.300 -0.276 0.000 1.047 98 D CA 1.181 54.748 54.000 -0.722 0.000 1.254 98 D CB 0.295 40.454 40.800 -1.068 0.000 0.762 98 D HN 0.868 nan 8.370 nan 0.000 0.381 99 K N 1.870 122.174 120.400 -0.160 0.000 1.913 99 K HA 0.127 4.447 4.320 0.000 0.000 0.313 99 K C 1.117 177.680 176.600 -0.060 0.000 0.964 99 K CA -0.626 55.610 56.287 -0.084 0.000 0.551 99 K CB 0.191 32.667 32.500 -0.040 0.000 3.484 99 K HN 0.029 nan 8.250 nan 0.000 1.238 100 E N 0.908 121.089 120.200 -0.031 0.000 2.299 100 E HA -0.027 4.323 4.350 0.000 0.000 0.193 100 E C 1.514 178.105 176.600 -0.015 0.000 0.998 100 E CA 0.845 57.233 56.400 -0.020 0.000 0.851 100 E CB 0.322 30.017 29.700 -0.009 0.000 0.795 100 E HN 0.193 nan 8.360 nan 0.000 0.492 101 S N 0.416 116.110 115.700 -0.009 0.000 2.483 101 S HA -0.054 4.416 4.470 0.000 0.000 0.221 101 S C 0.730 175.331 174.600 0.001 0.000 1.030 101 S CA 0.500 58.705 58.200 0.008 0.000 0.925 101 S CB -0.009 63.211 63.200 0.034 0.000 0.795 101 S HN 0.329 nan 8.310 nan 0.000 0.511 102 N N 0.712 119.383 118.700 -0.047 0.000 2.754 102 N HA -0.165 4.575 4.740 0.000 0.000 0.248 102 N C -0.588 174.937 175.510 0.025 0.000 1.093 102 N CA 0.837 53.829 53.050 -0.096 0.000 0.699 102 N CB -1.456 37.001 38.487 -0.051 0.000 1.016 102 N HN 0.539 nan 8.380 nan 0.000 0.552 103 S N -2.854 112.913 115.700 0.111 0.000 2.705 103 S HA 0.761 5.231 4.470 0.000 0.000 0.280 103 S C -0.400 174.477 174.600 0.461 0.000 1.174 103 S CA -0.577 57.808 58.200 0.308 0.000 0.823 103 S CB 1.790 65.092 63.200 0.170 0.000 1.162 103 S HN 0.140 nan 8.310 nan 0.000 0.487 104 V N 1.112 121.258 119.914 0.387 0.000 2.509 104 V HA 0.513 4.633 4.120 0.000 0.000 0.284 104 V C -0.054 176.190 176.094 0.250 0.000 1.047 104 V CA -0.237 62.272 62.300 0.349 0.000 0.952 104 V CB 1.088 32.987 31.823 0.126 0.000 0.988 104 V HN 0.895 nan 8.190 nan 0.000 0.469 105 E N 2.532 122.911 120.200 0.298 0.000 2.224 105 E HA 0.566 4.916 4.350 0.000 0.000 0.265 105 E C -1.595 175.173 176.600 0.280 0.000 0.878 105 E CA -0.476 56.060 56.400 0.227 0.000 0.759 105 E CB 2.360 32.169 29.700 0.183 0.000 1.164 105 E HN 0.470 nan 8.360 nan 0.000 0.414 106 V N 4.322 124.372 119.914 0.227 0.000 2.417 106 V HA 0.391 4.511 4.120 0.000 0.000 0.291 106 V C -0.341 175.876 176.094 0.207 0.000 1.024 106 V CA -0.878 61.585 62.300 0.272 0.000 0.861 106 V CB 1.516 33.475 31.823 0.228 0.000 0.985 106 V HN 0.604 nan 8.190 nan 0.000 0.436 107 N N 2.893 121.715 118.700 0.205 0.000 2.296 107 N HA 0.439 5.179 4.740 0.000 0.000 0.294 107 N C -0.806 174.769 175.510 0.107 0.000 1.033 107 N CA -0.437 52.695 53.050 0.137 0.000 0.839 107 N CB 2.596 41.148 38.487 0.109 0.000 1.395 107 N HN 0.349 nan 8.380 nan 0.000 0.479 108 V N 3.387 123.355 119.914 0.089 0.000 2.508 108 V HA 0.057 4.177 4.120 0.000 0.000 0.281 108 V C 1.459 177.552 176.094 -0.002 0.000 1.041 108 V CA 0.221 62.550 62.300 0.048 0.000 1.016 108 V CB 0.830 32.685 31.823 0.053 0.000 0.984 108 V HN 0.514 nan 8.190 nan 0.000 0.478 109 K N 2.716 123.092 120.400 -0.039 0.000 2.202 109 K HA 0.185 4.505 4.320 0.000 0.000 0.201 109 K C 0.610 177.175 176.600 -0.059 0.000 1.051 109 K CA 0.733 57.000 56.287 -0.033 0.000 0.977 109 K CB 0.397 32.856 32.500 -0.069 0.000 0.792 109 K HN 0.826 nan 8.250 nan 0.000 0.469 110 S N 0.316 115.948 115.700 -0.114 0.000 2.578 110 S HA 0.465 4.935 4.470 0.000 0.000 0.272 110 S C -1.664 172.659 174.600 -0.462 0.000 1.145 110 S CA -1.127 56.884 58.200 -0.315 0.000 0.835 110 S CB 2.134 65.152 63.200 -0.304 0.000 1.104 110 S HN 0.170 nan 8.310 nan 0.000 0.458 111 E N 0.448 120.144 120.200 -0.839 0.000 2.335 111 E HA 0.696 5.046 4.350 0.000 0.000 0.280 111 E C -1.829 174.232 176.600 -0.898 0.000 0.918 111 E CA -0.951 55.046 56.400 -0.671 0.000 0.765 111 E CB 1.268 30.791 29.700 -0.295 0.000 1.218 111 E HN 0.505 nan 8.360 nan 0.000 0.425 112 F N 0.489 120.434 119.950 -0.009 0.000 2.588 112 F HA 0.338 4.865 4.527 0.000 0.000 0.310 112 F C -0.186 175.610 175.800 -0.007 0.000 1.082 112 F CA -1.172 56.818 58.000 -0.016 0.000 0.929 112 F CB 2.288 41.271 39.000 -0.027 0.000 1.254 112 F HN 0.374 nan 8.300 nan 0.000 0.455 113 Q N 1.600 121.503 119.800 0.173 0.000 2.441 113 Q HA 0.390 4.730 4.340 0.000 0.000 0.234 113 Q C -0.224 175.826 176.000 0.082 0.000 1.078 113 Q CA -0.028 55.832 55.803 0.094 0.000 0.907 113 Q CB 1.045 29.816 28.738 0.055 0.000 1.269 113 Q HN 0.671 nan 8.270 nan 0.000 0.502 114 V N 3.738 123.695 119.914 0.072 0.000 2.300 114 V HA 0.061 4.181 4.120 0.000 0.000 0.241 114 V C 0.770 176.861 176.094 -0.005 0.000 1.034 114 V CA 1.101 63.416 62.300 0.025 0.000 1.021 114 V CB -0.089 31.741 31.823 0.011 0.000 0.662 114 V HN 0.611 nan 8.190 nan 0.000 0.458 115 L N -1.877 119.342 121.223 -0.007 0.000 2.303 115 L HA 0.639 4.979 4.340 0.000 0.000 0.266 115 L C 1.142 177.996 176.870 -0.026 0.000 1.011 115 L CA -0.053 54.769 54.840 -0.030 0.000 0.818 115 L CB 1.533 43.569 42.059 -0.038 0.000 1.326 115 L HN 0.114 nan 8.230 nan 0.000 0.435 116 A N 1.060 123.852 122.820 -0.047 0.000 1.831 116 A HA 0.203 4.523 4.320 0.000 0.000 0.213 116 A C 1.232 178.798 177.584 -0.030 0.000 1.223 116 A CA 1.111 53.125 52.037 -0.039 0.000 0.604 116 A CB -1.001 17.966 19.000 -0.056 0.000 0.878 116 A HN 0.794 nan 8.150 nan 0.000 0.450 117 G N -0.276 108.500 108.800 -0.040 0.000 2.486 117 G HA2 0.418 4.378 3.960 0.000 0.000 0.272 117 G HA3 0.418 4.378 3.960 0.000 0.000 0.272 117 G C -2.419 172.473 174.900 -0.013 0.000 1.426 117 G CA -0.521 44.565 45.100 -0.023 0.000 1.058 117 G HN 0.375 nan 8.290 nan 0.000 0.531 118 P HA 0.238 nan 4.420 nan 0.000 0.275 118 P C -0.480 176.822 177.300 0.003 0.000 1.228 118 P CA -0.081 63.014 63.100 -0.008 0.000 0.786 118 P CB 1.296 32.982 31.700 -0.024 0.000 0.927 119 I N 2.303 122.875 120.570 0.003 0.000 2.395 119 I HA -0.005 4.165 4.170 0.000 0.000 0.289 119 I C 1.804 177.934 176.117 0.022 0.000 1.023 119 I CA 0.276 61.580 61.300 0.008 0.000 1.350 119 I CB 1.111 39.115 38.000 0.006 0.000 1.409 119 I HN 0.432 nan 8.210 nan 0.000 0.507 120 S N 2.941 118.662 115.700 0.035 0.000 2.475 120 S HA 0.164 4.634 4.470 0.000 0.000 0.224 120 S C 0.238 174.899 174.600 0.101 0.000 1.042 120 S CA -0.034 58.217 58.200 0.085 0.000 0.935 120 S CB 0.337 63.599 63.200 0.103 0.000 0.801 120 S HN 0.694 nan 8.310 nan 0.000 0.509 121 D N -0.739 119.659 120.400 -0.002 0.000 2.623 121 D HA 0.591 5.231 4.640 0.000 0.000 0.241 121 D C -1.763 174.474 176.300 -0.105 0.000 1.241 121 D CA -0.530 53.411 54.000 -0.098 0.000 0.788 121 D CB 1.801 42.431 40.800 -0.283 0.000 1.413 121 D HN 0.248 nan 8.370 nan 0.000 0.429 122 I N 0.820 121.328 120.570 -0.103 0.000 2.686 122 I HA 0.484 4.654 4.170 0.000 0.000 0.295 122 I C -0.790 175.278 176.117 -0.080 0.000 1.114 122 I CA -0.765 60.462 61.300 -0.122 0.000 1.038 122 I CB 2.220 40.142 38.000 -0.131 0.000 1.238 122 I HN 0.195 nan 8.210 nan 0.000 0.420 123 S N 3.942 119.578 115.700 -0.107 0.000 2.548 123 S HA 0.590 5.060 4.470 0.000 0.000 0.276 123 S C -1.742 172.863 174.600 0.009 0.000 1.129 123 S CA -0.472 57.751 58.200 0.038 0.000 0.931 123 S CB 0.934 64.196 63.200 0.104 0.000 1.068 123 S HN 0.447 nan 8.310 nan 0.000 0.480 124 W N 2.998 124.332 121.300 0.057 0.000 2.436 124 W HA 0.413 5.073 4.660 0.000 0.000 0.347 124 W C 0.536 177.062 176.519 0.011 0.000 1.136 124 W CA -0.315 57.049 57.345 0.031 0.000 1.286 124 W CB 0.609 30.087 29.460 0.030 0.000 1.253 124 W HN 0.698 nan 8.180 nan 0.000 0.617 125 D N 0.436 121.002 120.400 0.277 0.000 2.423 125 D HA 0.044 4.684 4.640 0.000 0.000 0.255 125 D C 0.842 177.200 176.300 0.098 0.000 1.174 125 D CA -0.586 53.486 54.000 0.120 0.000 1.008 125 D CB 0.280 41.107 40.800 0.046 0.000 1.101 125 D HN 0.426 nan 8.370 nan 0.000 0.516 126 F N -1.196 118.772 119.950 0.031 0.000 2.451 126 F HA 0.114 4.641 4.527 0.000 0.000 0.299 126 F C 1.580 177.362 175.800 -0.031 0.000 1.101 126 F CA 0.515 58.511 58.000 -0.007 0.000 1.436 126 F CB -0.441 38.541 39.000 -0.029 0.000 1.074 126 F HN 0.279 nan 8.300 nan 0.000 0.553 127 E N 0.458 120.304 120.200 -0.590 0.000 2.478 127 E HA 0.156 4.506 4.350 0.000 0.000 0.194 127 E C 1.636 178.083 176.600 -0.255 0.000 1.045 127 E CA 0.363 56.498 56.400 -0.441 0.000 0.868 127 E CB -0.144 29.238 29.700 -0.529 0.000 0.885 127 E HN 0.588 nan 8.360 nan 0.000 0.505 128 G N 1.867 110.564 108.800 -0.172 0.000 2.221 128 G HA2 -0.342 3.618 3.960 0.000 0.000 0.265 128 G HA3 -0.342 3.618 3.960 0.000 0.000 0.265 128 G C 0.689 175.525 174.900 -0.107 0.000 1.041 128 G CA 0.713 45.672 45.100 -0.235 0.000 0.807 128 G HN 0.271 nan 8.290 nan 0.000 0.502 129 R N -1.334 119.218 120.500 0.087 0.000 2.521 129 R HA 0.226 4.566 4.340 0.000 0.000 0.289 129 R C 1.057 177.651 176.300 0.490 0.000 0.936 129 R CA -0.089 56.160 56.100 0.247 0.000 1.089 129 R CB 0.763 31.195 30.300 0.220 0.000 1.348 129 R HN 0.379 nan 8.270 nan 0.000 0.536 130 R N 0.603 121.300 120.500 0.328 0.000 2.803 130 R HA 0.583 4.923 4.340 0.000 0.000 0.276 130 R C -1.093 175.296 176.300 0.148 0.000 0.978 130 R CA -0.725 55.520 56.100 0.241 0.000 0.939 130 R CB 2.054 32.481 30.300 0.211 0.000 1.179 130 R HN -0.136 nan 8.270 nan 0.000 0.472 131 L N 0.831 122.076 121.223 0.036 0.000 2.408 131 L HA 0.505 4.845 4.340 0.000 0.000 0.268 131 L C -0.967 175.813 176.870 -0.150 0.000 0.986 131 L CA -1.000 53.758 54.840 -0.137 0.000 0.820 131 L CB 2.411 44.306 42.059 -0.273 0.000 1.303 131 L HN 0.656 nan 8.230 nan 0.000 0.411 132 C N 4.079 123.231 119.300 -0.246 0.000 2.271 132 C HA 0.748 5.208 4.460 0.000 0.000 0.323 132 C C -0.129 174.630 174.990 -0.385 0.000 1.245 132 C CA -0.368 58.363 59.018 -0.478 0.000 1.548 132 C CB 0.166 27.613 27.740 -0.487 0.000 2.214 132 C HN 0.544 nan 8.230 nan 0.000 0.477 133 V N 6.885 126.570 119.914 -0.381 0.000 2.435 133 V HA 0.744 4.864 4.120 0.000 0.000 0.290 133 V C 0.010 175.964 176.094 -0.233 0.000 1.030 133 V CA -0.326 61.827 62.300 -0.244 0.000 0.881 133 V CB 1.515 33.238 31.823 -0.166 0.000 0.983 133 V HN 0.727 nan 8.190 nan 0.000 0.445 134 V N 2.698 122.519 119.914 -0.155 0.000 3.114 134 V HA 1.033 5.153 4.120 0.000 0.000 0.308 134 V C 0.400 176.473 176.094 -0.036 0.000 1.168 134 V CA 0.622 62.857 62.300 -0.109 0.000 1.015 134 V CB 2.284 34.024 31.823 -0.139 0.000 1.050 134 V HN 1.139 nan 8.190 nan 0.000 0.433 135 G N 2.573 111.383 108.800 0.017 0.000 2.601 135 G HA2 0.332 4.292 3.960 0.000 0.000 0.080 135 G HA3 0.332 4.292 3.960 0.000 0.000 0.080 135 G C -1.066 173.924 174.900 0.150 0.000 1.046 135 G CA 0.241 45.376 45.100 0.058 0.000 1.143 135 G HN 1.026 nan 8.290 nan 0.000 0.507 136 E N -0.048 120.217 120.200 0.108 0.000 2.642 136 E HA 0.580 4.930 4.350 0.000 0.000 0.284 136 E C 0.272 176.825 176.600 -0.078 0.000 1.039 136 E CA -0.441 56.032 56.400 0.121 0.000 0.777 136 E CB 1.037 30.869 29.700 0.221 0.000 1.473 136 E HN 0.840 nan 8.360 nan 0.000 0.388 137 G N 1.850 110.517 108.800 -0.222 0.000 2.882 137 G HA2 0.339 4.299 3.960 0.000 0.000 0.164 137 G HA3 0.339 4.299 3.960 0.000 0.000 0.164 137 G C -0.544 174.179 174.900 -0.295 0.000 1.429 137 G CA -0.849 44.130 45.100 -0.201 0.000 1.059 137 G HN 0.312 nan 8.290 nan 0.000 0.581 138 R N -0.186 120.176 120.500 -0.230 0.000 2.246 138 R HA 0.372 4.712 4.340 0.000 0.000 0.332 138 R C -0.221 175.947 176.300 -0.220 0.000 0.974 138 R CA -0.197 55.780 56.100 -0.205 0.000 0.837 138 R CB 0.141 30.377 30.300 -0.107 0.000 1.145 138 R HN 0.624 nan 8.270 nan 0.000 0.467 139 D N 1.877 122.115 120.400 -0.270 0.000 3.018 139 D HA -0.284 4.356 4.640 0.000 0.000 0.224 139 D C -1.233 174.966 176.300 -0.169 0.000 1.185 139 D CA 1.881 55.783 54.000 -0.162 0.000 0.858 139 D CB -0.883 39.884 40.800 -0.054 0.000 1.112 139 D HN 0.769 nan 8.370 nan 0.000 0.415 140 N N -0.893 117.587 118.700 -0.367 0.000 2.503 140 N HA 0.265 5.005 4.740 0.000 0.000 0.287 140 N C -0.413 174.880 175.510 -0.363 0.000 1.096 140 N CA -0.646 52.281 53.050 -0.204 0.000 0.936 140 N CB 0.405 38.832 38.487 -0.100 0.000 1.570 140 N HN -0.075 nan 8.380 nan 0.000 0.504 141 F N 1.839 121.806 119.950 0.029 0.000 2.678 141 F HA 0.475 5.002 4.527 0.000 0.000 0.305 141 F C 1.286 177.052 175.800 -0.055 0.000 1.090 141 F CA -0.107 57.888 58.000 -0.009 0.000 1.272 141 F CB 1.299 40.294 39.000 -0.009 0.000 1.060 141 F HN 0.518 nan 8.300 nan 0.000 0.576 142 G N -0.250 108.595 108.800 0.074 0.000 2.356 142 G HA2 0.508 4.468 3.960 0.000 0.000 0.294 142 G HA3 0.508 4.468 3.960 0.000 0.000 0.294 142 G C -1.875 172.959 174.900 -0.111 0.000 1.423 142 G CA -0.225 44.838 45.100 -0.062 0.000 0.806 142 G HN 0.269 nan 8.290 nan 0.000 0.527 143 V N -3.094 116.663 119.914 -0.262 0.000 3.232 143 V HA 0.920 5.040 4.120 0.000 0.000 0.303 143 V C -1.628 174.178 176.094 -0.480 0.000 1.311 143 V CA -1.459 60.704 62.300 -0.229 0.000 1.061 143 V CB 1.873 33.628 31.823 -0.113 0.000 1.085 143 V HN 0.917 nan 8.190 nan 0.000 0.447 144 F N 2.563 122.467 119.950 -0.076 0.000 2.499 144 F HA 0.862 5.389 4.527 0.000 0.000 0.333 144 F C -0.034 175.729 175.800 -0.062 0.000 1.138 144 F CA -0.464 57.489 58.000 -0.079 0.000 0.945 144 F CB 1.896 40.902 39.000 0.011 0.000 1.181 144 F HN 0.796 nan 8.300 nan 0.000 0.435 145 I N -1.441 119.154 120.570 0.042 0.000 3.095 145 I HA 0.667 4.837 4.170 0.000 0.000 0.310 145 I C -0.767 175.320 176.117 -0.050 0.000 1.196 145 I CA -0.935 60.324 61.300 -0.069 0.000 0.985 145 I CB 2.176 40.021 38.000 -0.259 0.000 1.250 145 I HN 0.210 nan 8.210 nan 0.000 0.446 146 S N 2.758 118.397 115.700 -0.101 0.000 2.565 146 S HA 0.121 4.591 4.470 0.000 0.000 0.276 146 S C 0.738 175.305 174.600 -0.056 0.000 1.326 146 S CA -0.598 57.587 58.200 -0.025 0.000 1.045 146 S CB 0.666 63.817 63.200 -0.081 0.000 0.918 146 S HN 0.926 nan 8.310 nan 0.000 0.505 147 W N 3.980 125.303 121.300 0.038 0.000 2.421 147 W HA -0.103 4.557 4.660 0.000 0.000 0.270 147 W C 0.511 177.185 176.519 0.259 0.000 1.233 147 W CA 1.574 58.997 57.345 0.130 0.000 1.226 147 W CB -0.630 28.985 29.460 0.258 0.000 1.121 147 W HN 0.791 nan 8.180 nan 0.000 0.579 148 D N 0.962 120.821 120.400 -0.901 0.000 2.431 148 D HA -0.098 4.542 4.640 0.000 0.000 0.235 148 D C 1.961 178.163 176.300 -0.163 0.000 0.980 148 D CA 1.771 55.250 54.000 -0.869 0.000 0.912 148 D CB -0.741 39.198 40.800 -1.435 0.000 1.056 148 D HN 0.207 nan 8.370 nan 0.000 0.494 149 S N -1.155 114.443 115.700 -0.170 0.000 2.497 149 S HA 0.386 4.856 4.470 0.000 0.000 0.218 149 S C 1.905 176.395 174.600 -0.184 0.000 1.023 149 S CA 0.569 58.739 58.200 -0.051 0.000 0.913 149 S CB 0.241 63.378 63.200 -0.106 0.000 0.800 149 S HN 0.593 nan 8.310 nan 0.000 0.505 150 G N 1.889 110.287 108.800 -0.671 0.000 2.143 150 G HA2 -0.232 3.728 3.960 0.000 0.000 0.249 150 G HA3 -0.232 3.728 3.960 0.000 0.000 0.249 150 G C -0.235 174.350 174.900 -0.525 0.000 0.981 150 G CA -0.032 44.316 45.100 -1.254 0.000 0.665 150 G HN 0.516 nan 8.290 nan 0.000 0.528 151 N N 0.572 119.099 118.700 -0.289 0.000 2.479 151 N HA 0.374 5.114 4.740 0.000 0.000 0.257 151 N C 0.559 176.002 175.510 -0.111 0.000 1.232 151 N CA 0.565 53.523 53.050 -0.153 0.000 0.920 151 N CB 1.242 39.672 38.487 -0.095 0.000 1.105 151 N HN 0.287 nan 8.380 nan 0.000 0.444 152 S N 0.868 116.534 115.700 -0.057 0.000 2.549 152 S HA 0.170 4.640 4.470 0.000 0.000 0.283 152 S C 0.701 175.320 174.600 0.032 0.000 1.320 152 S CA -0.273 57.929 58.200 0.003 0.000 1.058 152 S CB -0.025 63.189 63.200 0.023 0.000 0.882 152 S HN 0.421 nan 8.310 nan 0.000 0.498 153 L N 4.788 126.070 121.223 0.100 0.000 3.289 153 L HA 0.479 4.819 4.340 0.000 0.000 0.291 153 L C 0.774 177.702 176.870 0.097 0.000 1.279 153 L CA -0.113 54.781 54.840 0.090 0.000 1.025 153 L CB -0.207 41.934 42.059 0.137 0.000 1.413 153 L HN 0.953 nan 8.230 nan 0.000 0.593 154 G N 0.106 108.982 108.800 0.128 0.000 2.340 154 G HA2 0.068 4.028 3.960 0.000 0.000 0.282 154 G HA3 0.068 4.028 3.960 0.000 0.000 0.282 154 G C -1.623 173.450 174.900 0.289 0.000 1.312 154 G CA -0.806 44.367 45.100 0.122 0.000 0.942 154 G HN 0.045 nan 8.290 nan 0.000 0.495 155 E N -1.422 118.996 120.200 0.363 0.000 2.340 155 E HA 0.546 4.896 4.350 0.000 0.000 0.273 155 E C -1.140 175.821 176.600 0.602 0.000 0.891 155 E CA -0.933 55.719 56.400 0.421 0.000 0.757 155 E CB 3.100 32.966 29.700 0.278 0.000 1.231 155 E HN 0.380 nan 8.360 nan 0.000 0.439 156 V N 2.259 122.450 119.914 0.461 0.000 2.383 156 V HA 0.405 4.525 4.120 0.000 0.000 0.275 156 V C 0.015 176.421 176.094 0.519 0.000 1.036 156 V CA -0.068 62.535 62.300 0.506 0.000 0.889 156 V CB 0.800 32.728 31.823 0.175 0.000 0.985 156 V HN 0.803 nan 8.190 nan 0.000 0.459 157 S N 2.680 118.766 115.700 0.643 0.000 2.776 157 S HA 0.844 5.314 4.470 0.000 0.000 0.292 157 S C 0.546 175.364 174.600 0.365 0.000 1.187 157 S CA 0.051 58.504 58.200 0.422 0.000 0.834 157 S CB 1.703 65.070 63.200 0.277 0.000 1.199 157 S HN 2.051 nan 8.310 nan 0.000 0.514 158 G N 0.180 109.072 108.800 0.153 0.000 2.157 158 G HA2 -0.131 3.829 3.960 0.000 0.000 0.248 158 G HA3 -0.131 3.829 3.960 0.000 0.000 0.248 158 G C -0.197 174.600 174.900 -0.173 0.000 0.979 158 G CA 0.368 45.486 45.100 0.029 0.000 0.650 158 G HN 0.979 nan 8.290 nan 0.000 0.529 159 H N -0.015 119.103 119.070 0.080 0.000 2.489 159 H HA 0.549 5.105 4.556 0.000 0.000 0.343 159 H C 0.936 176.169 175.328 -0.158 0.000 1.086 159 H CA 0.176 56.170 56.048 -0.089 0.000 1.198 159 H CB 1.969 31.601 29.762 -0.217 0.000 1.490 159 H HN 0.309 nan 8.280 nan 0.000 0.504 160 S N 1.678 117.332 115.700 -0.076 0.000 2.539 160 S HA 0.198 4.668 4.470 0.000 0.000 0.221 160 S C 0.493 175.014 174.600 -0.131 0.000 0.987 160 S CA -0.285 57.911 58.200 -0.007 0.000 0.929 160 S CB 0.974 64.200 63.200 0.044 0.000 0.832 160 S HN 0.589 nan 8.310 nan 0.000 0.492 161 Q N 0.555 120.067 119.800 -0.480 0.000 2.615 161 Q HA 0.414 4.754 4.340 0.000 0.000 0.298 161 Q C -0.997 174.497 176.000 -0.844 0.000 1.023 161 Q CA -1.139 54.403 55.803 -0.435 0.000 0.768 161 Q CB 1.715 30.400 28.738 -0.088 0.000 1.500 161 Q HN 0.297 nan 8.270 nan 0.000 0.441 162 R N 1.339 121.701 120.500 -0.231 0.000 2.538 162 R HA -0.034 4.306 4.340 0.000 0.000 0.273 162 R C -0.915 175.278 176.300 -0.180 0.000 0.967 162 R CA 0.614 56.693 56.100 -0.034 0.000 1.101 162 R CB 0.018 30.361 30.300 0.073 0.000 0.908 162 R HN 0.479 nan 8.270 nan 0.000 0.411 163 I N 4.829 125.320 120.570 -0.131 0.000 2.353 163 I HA 0.050 4.220 4.170 0.000 0.000 0.293 163 I C 0.787 176.871 176.117 -0.056 0.000 0.992 163 I CA -0.570 60.596 61.300 -0.225 0.000 1.268 163 I CB 1.663 39.492 38.000 -0.285 0.000 1.387 163 I HN 0.713 nan 8.210 nan 0.000 0.478 164 N N 4.351 123.038 118.700 -0.022 0.000 2.432 164 N HA 0.216 4.956 4.740 0.000 0.000 0.174 164 N C 0.137 175.725 175.510 0.130 0.000 1.037 164 N CA 0.328 53.427 53.050 0.082 0.000 0.892 164 N CB 0.849 39.393 38.487 0.094 0.000 1.049 164 N HN 0.685 nan 8.380 nan 0.000 0.442 165 A N -0.110 122.740 122.820 0.050 0.000 2.609 165 A HA 0.701 5.021 4.320 0.000 0.000 0.291 165 A C -1.015 176.564 177.584 -0.009 0.000 1.096 165 A CA -0.606 51.423 52.037 -0.012 0.000 0.684 165 A CB 1.087 20.133 19.000 0.076 0.000 1.282 165 A HN 0.310 nan 8.150 nan 0.000 0.412 166 C N -0.735 118.551 119.300 -0.023 0.000 3.288 166 C HA 0.976 5.436 4.460 0.000 0.000 0.318 166 C C -0.932 174.164 174.990 0.178 0.000 1.356 166 C CA -0.469 58.579 59.018 0.050 0.000 1.359 166 C CB 0.952 28.648 27.740 -0.072 0.000 1.688 166 C HN 1.355 nan 8.230 nan 0.000 0.467 167 H N 0.041 119.182 119.070 0.119 0.000 3.121 167 H HA 0.542 5.098 4.556 0.000 0.000 0.337 167 H C -2.046 173.417 175.328 0.225 0.000 1.198 167 H CA -0.584 55.589 56.048 0.207 0.000 1.274 167 H CB 1.510 31.480 29.762 0.348 0.000 1.954 167 H HN 0.813 nan 8.280 nan 0.000 0.531 168 L N 4.067 125.105 121.223 -0.309 0.000 2.307 168 L HA 0.314 4.654 4.340 0.000 0.000 0.284 168 L C 0.175 176.571 176.870 -0.791 0.000 1.023 168 L CA -0.686 53.891 54.840 -0.440 0.000 0.810 168 L CB 1.680 43.590 42.059 -0.247 0.000 1.231 168 L HN 0.441 nan 8.230 nan 0.000 0.423 169 K N 2.754 122.473 120.400 -1.134 0.000 2.472 169 K HA -0.021 4.299 4.320 0.000 0.000 0.280 169 K C 0.148 176.515 176.600 -0.390 0.000 1.028 169 K CA -0.097 55.524 56.287 -1.111 0.000 1.045 169 K CB 0.583 32.449 32.500 -1.056 0.000 0.902 169 K HN 0.477 nan 8.250 nan 0.000 0.478 170 Q N 2.560 122.225 119.800 -0.226 0.000 2.404 170 Q HA 0.050 4.390 4.340 0.000 0.000 0.272 170 Q C -0.643 175.243 176.000 -0.189 0.000 0.939 170 Q CA 0.037 55.833 55.803 -0.011 0.000 0.945 170 Q CB -0.299 28.459 28.738 0.034 0.000 1.195 170 Q HN 0.703 nan 8.270 nan 0.000 0.415 171 S N -1.203 114.379 115.700 -0.197 0.000 2.645 171 S HA 0.498 4.968 4.470 0.000 0.000 0.268 171 S C -0.811 173.702 174.600 -0.144 0.000 1.110 171 S CA -1.180 56.713 58.200 -0.511 0.000 0.823 171 S CB 1.561 64.511 63.200 -0.417 0.000 1.091 171 S HN 0.119 nan 8.310 nan 0.000 0.466 172 R N 0.875 121.296 120.500 -0.131 0.000 2.410 172 R HA 0.616 4.956 4.340 0.000 0.000 0.288 172 R C -2.391 173.879 176.300 -0.049 0.000 1.051 172 R CA -1.485 54.612 56.100 -0.005 0.000 1.021 172 R CB -0.309 30.011 30.300 0.032 0.000 1.032 172 R HN 0.542 nan 8.270 nan 0.000 0.481 179 V N 1.209 121.207 119.914 0.140 0.000 2.760 179 V HA 0.957 5.077 4.120 0.000 0.000 0.309 179 V C 0.450 176.570 176.094 0.042 0.000 1.077 179 V CA 0.542 62.925 62.300 0.137 0.000 0.910 179 V CB 1.841 33.723 31.823 0.098 0.000 1.008 179 V HN 1.577 nan 8.190 nan 0.000 0.424 180 G N 3.016 111.864 108.800 0.079 0.000 2.815 180 G HA2 0.502 4.462 3.960 0.000 0.000 0.305 180 G HA3 0.502 4.462 3.960 0.000 0.000 0.305 180 G C -1.412 173.530 174.900 0.070 0.000 1.277 180 G CA -0.603 44.503 45.100 0.009 0.000 0.795 180 G HN 0.526 nan 8.290 nan 0.000 0.528 181 D N -0.243 120.190 120.400 0.055 0.000 2.363 181 D HA 0.347 4.987 4.640 0.000 0.000 0.240 181 D C 0.516 176.902 176.300 0.144 0.000 1.236 181 D CA 0.825 54.919 54.000 0.158 0.000 0.927 181 D CB 0.558 41.426 40.800 0.113 0.000 1.150 181 D HN 0.503 nan 8.370 nan 0.000 0.458 182 D N -0.359 120.143 120.400 0.169 0.000 2.772 182 D HA -0.161 4.479 4.640 0.000 0.000 0.233 182 D C 0.680 177.034 176.300 0.091 0.000 1.143 182 D CA 1.443 55.504 54.000 0.101 0.000 0.700 182 D CB -1.294 39.553 40.800 0.077 0.000 1.076 182 D HN 0.759 nan 8.370 nan 0.000 0.430 183 G N -0.063 108.797 108.800 0.100 0.000 2.379 183 G HA2 -0.256 3.705 3.960 0.000 0.000 0.297 183 G HA3 -0.256 3.705 3.960 0.000 0.000 0.297 183 G C 0.273 175.255 174.900 0.137 0.000 1.004 183 G CA 1.113 46.282 45.100 0.116 0.000 0.921 183 G HN 1.418 nan 8.290 nan 0.000 0.511 184 S N -1.626 114.151 115.700 0.129 0.000 2.525 184 S HA 0.779 5.249 4.470 0.000 0.000 0.278 184 S C -0.232 174.479 174.600 0.185 0.000 1.234 184 S CA -0.595 57.686 58.200 0.134 0.000 1.058 184 S CB 3.022 66.307 63.200 0.143 0.000 0.983 184 S HN 0.968 nan 8.310 nan 0.000 0.495 185 V N 3.053 123.038 119.914 0.118 0.000 2.733 185 V HA 0.550 4.670 4.120 0.000 0.000 0.306 185 V C -0.911 175.180 176.094 -0.005 0.000 1.084 185 V CA -0.663 61.700 62.300 0.105 0.000 0.905 185 V CB 1.969 33.840 31.823 0.080 0.000 1.010 185 V HN 0.887 nan 8.190 nan 0.000 0.424 186 V N 4.863 124.804 119.914 0.044 0.000 2.638 186 V HA 0.520 4.640 4.120 0.000 0.000 0.306 186 V C -0.934 175.122 176.094 -0.062 0.000 1.052 186 V CA -0.606 61.622 62.300 -0.120 0.000 0.885 186 V CB 1.980 33.705 31.823 -0.164 0.000 0.999 186 V HN 0.704 nan 8.190 nan 0.000 0.424 187 F N 5.212 124.900 119.950 -0.437 0.000 2.421 187 F HA 0.787 5.314 4.527 0.000 0.000 0.337 187 F C -0.862 174.721 175.800 -0.361 0.000 1.105 187 F CA -0.591 57.275 58.000 -0.224 0.000 1.049 187 F CB 1.128 40.005 39.000 -0.205 0.000 1.139 187 F HN 0.412 nan 8.300 nan 0.000 0.479 188 Y N 2.476 122.453 120.300 -0.539 0.000 2.570 188 Y HA 0.568 5.118 4.550 0.000 0.000 0.345 188 Y C -0.649 175.011 175.900 -0.400 0.000 1.014 188 Y CA -1.095 56.818 58.100 -0.311 0.000 1.063 188 Y CB 1.762 40.184 38.460 -0.064 0.000 1.272 188 Y HN 0.431 nan 8.280 nan 0.000 0.477 189 Q N 0.607 120.406 119.800 -0.003 0.000 2.375 189 Q HA 0.776 5.116 4.340 0.000 0.000 0.271 189 Q C -0.441 175.449 176.000 -0.184 0.000 1.074 189 Q CA -0.896 54.865 55.803 -0.071 0.000 0.808 189 Q CB 3.216 31.932 28.738 -0.036 0.000 1.327 189 Q HN 0.988 nan 8.270 nan 0.000 0.441 190 G N 1.586 110.136 108.800 -0.416 0.000 2.336 190 G HA2 0.294 4.254 3.960 0.000 0.000 0.286 190 G HA3 0.294 4.254 3.960 0.000 0.000 0.286 190 G C -3.049 171.308 174.900 -0.906 0.000 1.269 190 G CA -0.672 43.912 45.100 -0.859 0.000 0.873 190 G HN 0.445 nan 8.290 nan 0.000 0.494 191 P HA 0.482 nan 4.420 nan 0.000 0.276 191 P C -2.682 174.330 177.300 -0.479 0.000 1.244 191 P CA -0.915 61.594 63.100 -0.985 0.000 0.801 191 P CB 0.383 31.707 31.700 -0.626 0.000 1.006 192 P HA 0.248 nan 4.420 nan 0.000 0.276 192 P C -0.629 176.400 177.300 -0.453 0.000 1.235 192 P CA -0.010 62.884 63.100 -0.343 0.000 0.772 192 P CB -0.025 31.585 31.700 -0.150 0.000 0.871 193 F N 2.926 122.651 119.950 -0.375 0.000 2.533 193 F HA 0.183 4.710 4.527 0.000 0.000 0.378 193 F C 1.209 176.885 175.800 -0.207 0.000 1.070 193 F CA 0.406 58.085 58.000 -0.535 0.000 1.172 193 F CB 0.372 38.442 39.000 -1.549 0.000 1.085 193 F HN 0.127 nan 8.300 nan 0.000 0.552 194 K N 4.923 125.397 120.400 0.124 0.000 2.371 194 K HA 0.391 4.711 4.320 0.000 0.000 0.251 194 K C -1.016 175.762 176.600 0.297 0.000 0.934 194 K CA -0.882 55.544 56.287 0.232 0.000 0.798 194 K CB 0.799 33.368 32.500 0.115 0.000 1.204 194 K HN 0.329 nan 8.250 nan 0.000 0.427 195 F N 2.794 122.822 119.950 0.130 0.000 2.623 195 F HA 0.008 4.535 4.527 0.000 0.000 0.386 195 F C 0.960 176.719 175.800 -0.069 0.000 1.068 195 F CA 1.358 59.284 58.000 -0.124 0.000 1.265 195 F CB 0.799 39.760 39.000 -0.066 0.000 1.026 195 F HN 0.675 nan 8.300 nan 0.000 0.568 196 S N 3.791 119.080 115.700 -0.686 0.000 2.731 196 S HA 0.658 5.128 4.470 0.000 0.000 0.244 196 S C -0.228 174.112 174.600 -0.434 0.000 1.084 196 S CA 0.391 58.421 58.200 -0.283 0.000 0.877 196 S CB -0.044 63.149 63.200 -0.012 0.000 0.798 196 S HN 1.156 nan 8.310 nan 0.000 0.496 197 A N 0.684 122.938 122.820 -0.942 0.000 2.590 197 A HA 0.600 4.920 4.320 0.000 0.000 0.296 197 A C -0.651 176.596 177.584 -0.563 0.000 1.050 197 A CA -0.252 51.453 52.037 -0.553 0.000 0.697 197 A CB 0.724 19.640 19.000 -0.140 0.000 1.277 197 A HN 0.653 nan 8.150 nan 0.000 0.411 198 S N 0.493 116.118 115.700 -0.125 0.000 2.704 198 S HA 0.890 5.360 4.470 0.000 0.000 0.305 198 S C -1.103 173.509 174.600 0.020 0.000 1.107 198 S CA -0.477 57.707 58.200 -0.026 0.000 0.993 198 S CB 2.171 65.473 63.200 0.170 0.000 1.110 198 S HN 0.924 nan 8.310 nan 0.000 0.534 199 D N -0.556 119.864 120.400 0.033 0.000 2.764 199 D HA 0.317 4.957 4.640 0.000 0.000 0.227 199 D C -0.802 175.555 176.300 0.095 0.000 1.347 199 D CA -0.347 53.709 54.000 0.093 0.000 0.953 199 D CB 1.418 42.339 40.800 0.201 0.000 1.476 199 D HN 0.651 nan 8.370 nan 0.000 0.585 200 R N 1.869 122.395 120.500 0.044 0.000 2.642 200 R HA 0.138 4.479 4.340 0.000 0.000 0.435 200 R C 1.030 177.316 176.300 -0.023 0.000 1.046 200 R CA 0.161 56.284 56.100 0.039 0.000 1.103 200 R CB 0.887 31.203 30.300 0.026 0.000 1.425 200 R HN 0.470 nan 8.270 nan 0.000 0.586 201 T N -3.674 110.806 114.554 -0.123 0.000 2.978 201 T HA 0.070 4.420 4.350 0.000 0.000 0.248 201 T C 1.373 175.844 174.700 -0.382 0.000 1.018 201 T CA 0.284 62.215 62.100 -0.282 0.000 1.026 201 T CB 0.078 68.681 68.868 -0.441 0.000 1.032 201 T HN 0.151 nan 8.240 nan 0.000 0.485 202 H N 0.501 119.506 119.070 -0.108 0.000 2.544 202 H HA 0.249 4.805 4.556 0.000 0.000 0.269 202 H C 0.043 175.304 175.328 -0.112 0.000 0.970 202 H CA 0.572 56.511 56.048 -0.181 0.000 1.219 202 H CB 0.167 29.654 29.762 -0.459 0.000 1.421 202 H HN 0.443 nan 8.280 nan 0.000 0.555 203 H N 1.393 120.561 119.070 0.163 0.000 2.589 203 H HA 0.216 4.772 4.556 0.000 0.000 0.335 203 H C 0.136 175.483 175.328 0.033 0.000 1.019 203 H CA -0.617 55.498 56.048 0.111 0.000 1.213 203 H CB 1.489 31.333 29.762 0.137 0.000 1.472 203 H HN 0.061 nan 8.280 nan 0.000 0.508 204 K N 2.632 123.093 120.400 0.102 0.000 2.569 204 K HA -0.113 4.207 4.320 0.000 0.000 0.280 204 K C 0.663 177.280 176.600 0.028 0.000 0.984 204 K CA 0.439 56.742 56.287 0.026 0.000 1.064 204 K CB 0.546 33.034 32.500 -0.019 0.000 0.866 204 K HN 0.617 nan 8.250 nan 0.000 0.492 205 Q N 0.791 120.596 119.800 0.007 0.000 2.373 205 Q HA 0.235 4.575 4.340 0.000 0.000 0.255 205 Q C 0.792 176.783 176.000 -0.015 0.000 0.980 205 Q CA 0.064 55.873 55.803 0.010 0.000 0.882 205 Q CB 0.795 29.536 28.738 0.005 0.000 1.249 205 Q HN 0.796 nan 8.270 nan 0.000 0.438 206 G N 1.247 110.046 108.800 -0.002 0.000 2.205 206 G HA2 -0.352 3.608 3.960 0.000 0.000 0.261 206 G HA3 -0.352 3.608 3.960 0.000 0.000 0.261 206 G C 0.195 175.004 174.900 -0.151 0.000 0.980 206 G CA 0.288 45.365 45.100 -0.038 0.000 0.632 206 G HN 1.201 nan 8.290 nan 0.000 0.533 207 S N -0.255 115.375 115.700 -0.117 0.000 2.632 207 S HA 0.740 5.210 4.470 0.000 0.000 0.271 207 S C -0.059 174.510 174.600 -0.051 0.000 1.260 207 S CA -0.733 57.333 58.200 -0.223 0.000 1.010 207 S CB 1.143 64.281 63.200 -0.103 0.000 0.965 207 S HN 0.451 nan 8.310 nan 0.000 0.534 208 F N 1.175 121.069 119.950 -0.094 0.000 2.361 208 F HA 0.378 4.905 4.527 0.000 0.000 0.364 208 F C -0.257 175.457 175.800 -0.142 0.000 1.120 208 F CA -1.237 56.696 58.000 -0.111 0.000 1.102 208 F CB 1.320 40.229 39.000 -0.151 0.000 1.183 208 F HN 0.268 nan 8.300 nan 0.000 0.476 209 V N 5.462 125.405 119.914 0.048 0.000 2.372 209 V HA 0.140 4.260 4.120 0.000 0.000 0.261 209 V C 0.857 176.951 176.094 -0.000 0.000 1.055 209 V CA -0.295 61.944 62.300 -0.102 0.000 0.930 209 V CB 0.873 32.592 31.823 -0.173 0.000 1.031 209 V HN 0.707 nan 8.190 nan 0.000 0.479 210 R N 1.959 122.462 120.500 0.004 0.000 2.093 210 R HA 0.128 4.468 4.340 0.000 0.000 0.224 210 R C 0.432 176.830 176.300 0.164 0.000 1.101 210 R CA 0.809 56.953 56.100 0.073 0.000 0.979 210 R CB -0.027 30.291 30.300 0.030 0.000 0.877 210 R HN 0.809 nan 8.270 nan 0.000 0.441 211 D N -2.123 118.356 120.400 0.131 0.000 2.609 211 D HA 0.409 5.049 4.640 0.000 0.000 0.239 211 D C -1.839 174.534 176.300 0.122 0.000 1.229 211 D CA -0.519 53.594 54.000 0.190 0.000 0.808 211 D CB 2.006 42.936 40.800 0.217 0.000 1.448 211 D HN -0.211 nan 8.370 nan 0.000 0.433 212 V N 1.073 121.063 119.914 0.125 0.000 3.048 212 V HA 0.771 4.891 4.120 0.000 0.000 0.303 212 V C -1.949 174.223 176.094 0.129 0.000 1.214 212 V CA -0.282 62.088 62.300 0.116 0.000 0.984 212 V CB 1.990 33.888 31.823 0.126 0.000 1.054 212 V HN 0.678 nan 8.190 nan 0.000 0.430 213 E N 3.836 124.144 120.200 0.181 0.000 2.388 213 E HA 0.406 4.756 4.350 0.000 0.000 0.289 213 E C -1.927 175.009 176.600 0.560 0.000 0.944 213 E CA -0.564 56.016 56.400 0.299 0.000 0.792 213 E CB 1.415 31.230 29.700 0.191 0.000 1.239 213 E HN 0.552 nan 8.360 nan 0.000 0.412 214 F N 1.769 122.129 119.950 0.682 0.000 2.418 214 F HA 0.201 4.728 4.527 0.000 0.000 0.341 214 F C 1.197 176.935 175.800 -0.104 0.000 1.120 214 F CA -0.070 58.115 58.000 0.309 0.000 1.232 214 F CB 1.129 40.230 39.000 0.168 0.000 1.175 214 F HN 0.342 nan 8.300 nan 0.000 0.569 215 S N 2.401 117.832 115.700 -0.448 0.000 2.579 215 S HA 0.374 4.844 4.470 0.000 0.000 0.275 215 S C -2.565 171.757 174.600 -0.463 0.000 1.345 215 S CA -1.262 56.130 58.200 -1.348 0.000 1.031 215 S CB 0.528 62.922 63.200 -1.343 0.000 0.892 215 S HN 0.256 nan 8.310 nan 0.000 0.529 216 P HA 0.353 nan 4.420 nan 0.000 0.275 216 P C 0.178 177.417 177.300 -0.101 0.000 1.270 216 P CA 0.125 63.174 63.100 -0.085 0.000 0.791 216 P CB 0.110 31.820 31.700 0.017 0.000 1.089 217 D N -1.664 118.694 120.400 -0.070 0.000 4.352 217 D HA -0.232 4.408 4.640 0.000 0.000 0.135 217 D C 1.135 177.357 176.300 -0.130 0.000 0.758 217 D CA 2.380 56.324 54.000 -0.092 0.000 1.133 217 D CB -1.916 38.841 40.800 -0.071 0.000 0.571 217 D HN 0.454 nan 8.370 nan 0.000 0.555 218 S N 0.434 116.057 115.700 -0.129 0.000 2.562 218 S HA 0.339 4.809 4.470 0.000 0.000 0.221 218 S C 1.564 176.089 174.600 -0.126 0.000 0.975 218 S CA 1.000 59.118 58.200 -0.136 0.000 0.918 218 S CB 0.288 63.411 63.200 -0.129 0.000 0.772 218 S HN 1.534 nan 8.310 nan 0.000 0.531 219 G N 2.814 111.541 108.800 -0.122 0.000 2.366 219 G HA2 -0.329 3.631 3.960 0.000 0.000 0.299 219 G HA3 -0.329 3.631 3.960 0.000 0.000 0.299 219 G C 0.464 175.344 174.900 -0.034 0.000 1.020 219 G CA 0.521 45.599 45.100 -0.037 0.000 1.026 219 G HN 0.855 nan 8.290 nan 0.000 0.512 220 E N -1.280 118.767 120.200 -0.254 0.000 2.274 220 E HA 0.145 4.495 4.350 0.000 0.000 0.194 220 E C 0.408 176.724 176.600 -0.473 0.000 0.996 220 E CA 0.358 56.492 56.400 -0.443 0.000 0.840 220 E CB 0.097 29.340 29.700 -0.762 0.000 0.772 220 E HN 0.485 nan 8.360 nan 0.000 0.491 221 F N 0.426 120.387 119.950 0.019 0.000 2.561 221 F HA 0.512 5.039 4.527 0.000 0.000 0.321 221 F C -0.465 175.373 175.800 0.063 0.000 1.065 221 F CA -1.452 56.580 58.000 0.053 0.000 0.934 221 F CB 2.155 41.218 39.000 0.105 0.000 1.215 221 F HN -0.295 nan 8.300 nan 0.000 0.471 222 V N 3.248 123.315 119.914 0.255 0.000 2.623 222 V HA 0.541 4.661 4.120 0.000 0.000 0.304 222 V C -0.526 175.670 176.094 0.170 0.000 1.054 222 V CA -0.744 61.538 62.300 -0.030 0.000 0.882 222 V CB 1.980 33.527 31.823 -0.459 0.000 1.002 222 V HN 0.605 nan 8.190 nan 0.000 0.424 223 I N 3.591 124.250 120.570 0.149 0.000 2.569 223 I HA 0.694 4.864 4.170 0.000 0.000 0.296 223 I C -0.013 176.156 176.117 0.087 0.000 1.028 223 I CA -0.371 60.963 61.300 0.057 0.000 1.082 223 I CB 2.735 40.544 38.000 -0.318 0.000 1.264 223 I HN 0.825 nan 8.210 nan 0.000 0.429 224 T N 3.080 117.753 114.554 0.199 0.000 2.863 224 T HA 0.812 5.162 4.350 0.000 0.000 0.285 224 T C -0.614 174.216 174.700 0.216 0.000 1.009 224 T CA -0.699 61.533 62.100 0.220 0.000 0.989 224 T CB 1.862 70.944 68.868 0.356 0.000 1.004 224 T HN 0.486 nan 8.240 nan 0.000 0.455 225 V N -0.923 119.044 119.914 0.087 0.000 3.049 225 V HA 1.061 5.181 4.120 0.000 0.000 0.309 225 V C -0.051 176.013 176.094 -0.050 0.000 1.148 225 V CA -0.278 62.062 62.300 0.068 0.000 0.990 225 V CB 1.416 33.266 31.823 0.045 0.000 1.039 225 V HN 1.479 nan 8.190 nan 0.000 0.430 226 G N 0.875 109.644 108.800 -0.051 0.000 2.682 226 G HA2 0.527 4.487 3.960 0.000 0.000 0.303 226 G HA3 0.527 4.487 3.960 0.000 0.000 0.303 226 G C 0.472 175.294 174.900 -0.129 0.000 1.341 226 G CA 0.168 45.198 45.100 -0.116 0.000 0.784 226 G HN 1.689 nan 8.290 nan 0.000 0.497 227 S N -0.567 115.036 115.700 -0.162 0.000 2.469 227 S HA -0.106 4.364 4.470 0.000 0.000 0.238 227 S C 1.343 175.843 174.600 -0.168 0.000 0.998 227 S CA 1.858 59.922 58.200 -0.226 0.000 0.957 227 S CB -0.160 62.867 63.200 -0.287 0.000 0.764 227 S HN 0.686 nan 8.310 nan 0.000 0.514 228 D N 2.192 122.534 120.400 -0.097 0.000 2.319 228 D HA -0.096 4.544 4.640 0.000 0.000 0.230 228 D C 1.005 177.270 176.300 -0.058 0.000 1.094 228 D CA 0.193 54.153 54.000 -0.065 0.000 0.856 228 D CB -0.928 39.873 40.800 0.000 0.000 0.915 228 D HN 0.714 nan 8.370 nan 0.000 0.517 229 R N -1.304 119.160 120.500 -0.060 0.000 3.847 229 R HA -0.206 4.134 4.340 0.000 0.000 0.304 229 R C -0.604 175.653 176.300 -0.071 0.000 1.203 229 R CA 0.853 56.919 56.100 -0.056 0.000 0.835 229 R CB -2.351 27.914 30.300 -0.059 0.000 1.253 229 R HN 0.060 nan 8.270 nan 0.000 0.516 230 K N 1.302 121.679 120.400 -0.038 0.000 2.130 230 K HA 0.461 4.781 4.320 0.000 0.000 0.268 230 K C 0.346 176.953 176.600 0.011 0.000 0.983 230 K CA -0.764 55.441 56.287 -0.136 0.000 0.893 230 K CB 1.118 33.446 32.500 -0.286 0.000 1.066 230 K HN 0.197 nan 8.250 nan 0.000 0.450 231 I N 2.235 122.756 120.570 -0.081 0.000 2.371 231 I HA 0.118 4.288 4.170 0.000 0.000 0.282 231 I C -0.249 175.903 176.117 0.058 0.000 1.031 231 I CA -0.409 60.862 61.300 -0.048 0.000 1.180 231 I CB 1.368 39.200 38.000 -0.279 0.000 1.336 231 I HN 0.269 nan 8.210 nan 0.000 0.467 232 S N 4.866 120.660 115.700 0.156 0.000 2.480 232 S HA 0.301 4.771 4.470 0.000 0.000 0.286 232 S C -0.479 174.021 174.600 -0.167 0.000 1.180 232 S CA -0.554 57.688 58.200 0.070 0.000 1.075 232 S CB 1.520 64.862 63.200 0.236 0.000 0.996 232 S HN 0.709 nan 8.310 nan 0.000 0.487 233 C N 5.500 124.467 119.300 -0.554 0.000 2.298 233 C HA 0.779 5.239 4.460 0.000 0.000 0.323 233 C C -0.906 173.652 174.990 -0.720 0.000 1.284 233 C CA -0.796 57.944 59.018 -0.465 0.000 1.577 233 C CB -1.552 25.927 27.740 -0.434 0.000 2.249 233 C HN 0.767 nan 8.230 nan 0.000 0.497 234 F N 2.446 122.290 119.950 -0.177 0.000 2.594 234 F HA 0.436 4.963 4.527 0.000 0.000 0.335 234 F C 0.281 176.055 175.800 -0.043 0.000 1.058 234 F CA -0.761 57.139 58.000 -0.167 0.000 0.981 234 F CB 0.734 39.650 39.000 -0.141 0.000 1.289 234 F HN 0.527 nan 8.300 nan 0.000 0.490 235 D N -0.115 120.359 120.400 0.123 0.000 2.351 235 D HA 0.294 4.934 4.640 0.000 0.000 0.251 235 D C 1.179 177.534 176.300 0.092 0.000 1.137 235 D CA 0.161 54.214 54.000 0.088 0.000 0.879 235 D CB 1.444 42.247 40.800 0.006 0.000 1.181 235 D HN 0.663 nan 8.370 nan 0.000 0.448 236 G N 3.497 112.395 108.800 0.162 0.000 2.509 236 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 236 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 236 G C 1.235 176.425 174.900 0.484 0.000 1.124 236 G CA 0.478 45.804 45.100 0.377 0.000 0.776 236 G HN 0.517 nan 8.290 nan 0.000 0.547 237 K N 0.203 120.762 120.400 0.266 0.000 2.306 237 K HA 0.039 4.359 4.320 0.000 0.000 0.200 237 K C 2.559 179.338 176.600 0.299 0.000 1.083 237 K CA 1.003 57.466 56.287 0.293 0.000 0.959 237 K CB 0.117 32.693 32.500 0.126 0.000 0.994 237 K HN 0.306 nan 8.250 nan 0.000 0.492 238 S N -0.989 114.747 115.700 0.060 0.000 2.486 238 S HA 0.152 4.622 4.470 0.000 0.000 0.220 238 S C 1.432 175.769 174.600 -0.439 0.000 1.011 238 S CA 0.628 58.801 58.200 -0.045 0.000 0.921 238 S CB 0.420 63.600 63.200 -0.035 0.000 0.785 238 S HN 0.521 nan 8.310 nan 0.000 0.517 239 G N 1.375 109.663 108.800 -0.855 0.000 2.184 239 G HA2 -0.332 3.628 3.960 0.000 0.000 0.264 239 G HA3 -0.332 3.628 3.960 0.000 0.000 0.264 239 G C -0.119 174.529 174.900 -0.420 0.000 0.975 239 G CA 0.426 44.675 45.100 -1.419 0.000 0.642 239 G HN 0.819 nan 8.290 nan 0.000 0.536 240 E N -0.322 119.784 120.200 -0.158 0.000 2.398 240 E HA 0.418 4.768 4.350 0.000 0.000 0.263 240 E C -0.058 176.641 176.600 0.164 0.000 1.046 240 E CA -0.945 55.481 56.400 0.043 0.000 0.908 240 E CB 0.241 29.945 29.700 0.008 0.000 0.963 240 E HN 0.281 nan 8.360 nan 0.000 0.431 241 F N 4.678 124.631 119.950 0.006 0.000 2.504 241 F HA 0.075 4.602 4.527 0.000 0.000 0.369 241 F C 0.129 175.700 175.800 -0.381 0.000 1.082 241 F CA -0.420 57.320 58.000 -0.432 0.000 1.216 241 F CB 0.554 39.123 39.000 -0.717 0.000 1.108 241 F HN 0.511 nan 8.300 nan 0.000 0.554 242 L N 5.058 125.609 121.223 -1.120 0.000 2.269 242 L HA 0.291 4.631 4.340 0.000 0.000 0.200 242 L C -0.107 176.164 176.870 -0.999 0.000 1.069 242 L CA 1.007 55.393 54.840 -0.755 0.000 0.804 242 L CB -0.668 41.125 42.059 -0.443 0.000 0.987 242 L HN 0.740 nan 8.230 nan 0.000 0.468 243 K N -3.294 116.100 120.400 -1.677 0.000 3.040 243 K HA 0.171 4.491 4.320 0.000 0.000 0.300 243 K C -1.543 174.515 176.600 -0.903 0.000 1.092 243 K CA -0.782 54.845 56.287 -1.099 0.000 0.831 243 K CB 0.173 32.393 32.500 -0.467 0.000 1.469 243 K HN -0.221 nan 8.250 nan 0.000 0.365 244 Y N 0.747 120.912 120.300 -0.225 0.000 2.301 244 Y HA 0.429 4.979 4.550 0.000 0.000 0.325 244 Y C 0.399 176.170 175.900 -0.215 0.000 1.203 244 Y CA -1.016 56.997 58.100 -0.144 0.000 1.255 244 Y CB 1.304 39.747 38.460 -0.028 0.000 1.232 244 Y HN 0.254 nan 8.280 nan 0.000 0.501 245 I N 4.360 124.884 120.570 -0.076 0.000 2.297 245 I HA 0.165 4.335 4.170 0.000 0.000 0.291 245 I C -0.592 175.365 176.117 -0.266 0.000 1.033 245 I CA -0.038 61.147 61.300 -0.191 0.000 1.253 245 I CB 0.268 38.111 38.000 -0.262 0.000 1.396 245 I HN 0.640 nan 8.210 nan 0.000 0.476 246 E N 5.167 125.303 120.200 -0.107 0.000 2.331 246 E HA 0.438 4.788 4.350 0.000 0.000 0.275 246 E C -1.754 174.902 176.600 0.093 0.000 0.895 246 E CA -0.910 55.466 56.400 -0.040 0.000 0.753 246 E CB 2.926 32.608 29.700 -0.030 0.000 1.216 246 E HN 0.244 nan 8.360 nan 0.000 0.434 247 D N 2.423 122.941 120.400 0.197 0.000 2.505 247 D HA 0.085 4.725 4.640 0.000 0.000 0.250 247 D C 0.115 176.470 176.300 0.091 0.000 1.164 247 D CA -0.570 53.527 54.000 0.162 0.000 0.870 247 D CB 1.465 42.398 40.800 0.222 0.000 1.160 247 D HN 0.542 nan 8.370 nan 0.000 0.549 248 D N 2.444 122.871 120.400 0.045 0.000 2.311 248 D HA -0.207 4.433 4.640 0.000 0.000 0.212 248 D C 0.933 177.238 176.300 0.009 0.000 0.972 248 D CA 1.072 55.085 54.000 0.022 0.000 0.887 248 D CB 0.214 41.020 40.800 0.010 0.000 0.915 248 D HN 0.281 nan 8.370 nan 0.000 0.497 249 Q N -0.507 119.294 119.800 0.001 0.000 2.392 249 Q HA 0.135 4.475 4.340 0.000 0.000 0.203 249 Q C 0.035 176.012 176.000 -0.038 0.000 0.917 249 Q CA 0.439 56.227 55.803 -0.025 0.000 0.939 249 Q CB 0.687 29.399 28.738 -0.044 0.000 1.063 249 Q HN 0.355 nan 8.270 nan 0.000 0.516 250 E N 0.818 121.013 120.200 -0.008 0.000 2.761 250 E HA 0.320 4.670 4.350 0.000 0.000 0.266 250 E C -2.590 174.059 176.600 0.083 0.000 1.097 250 E CA -1.742 54.650 56.400 -0.014 0.000 0.773 250 E CB 1.915 31.541 29.700 -0.124 0.000 1.453 250 E HN 0.013 nan 8.360 nan 0.000 0.388 251 P HA 0.174 nan 4.420 nan 0.000 0.284 251 P C -0.230 177.116 177.300 0.076 0.000 1.253 251 P CA -0.531 62.605 63.100 0.059 0.000 0.800 251 P CB 1.073 32.783 31.700 0.018 0.000 0.961 252 V N 4.182 124.151 119.914 0.091 0.000 2.455 252 V HA 0.033 4.153 4.120 0.000 0.000 0.273 252 V C 1.179 177.293 176.094 0.034 0.000 1.045 252 V CA 0.496 62.851 62.300 0.091 0.000 0.976 252 V CB 0.459 32.333 31.823 0.084 0.000 0.993 252 V HN 0.577 nan 8.190 nan 0.000 0.475 253 Q N 3.078 122.897 119.800 0.031 0.000 2.356 253 Q HA 0.319 4.659 4.340 0.000 0.000 0.205 253 Q C 0.879 176.884 176.000 0.009 0.000 0.901 253 Q CA 0.353 56.163 55.803 0.012 0.000 0.938 253 Q CB 1.022 29.766 28.738 0.011 0.000 1.081 253 Q HN 0.872 nan 8.270 nan 0.000 0.517 254 G N -0.486 108.325 108.800 0.019 0.000 2.619 254 G HA2 0.541 4.501 3.960 0.000 0.000 0.296 254 G HA3 0.541 4.501 3.960 0.000 0.000 0.296 254 G C -0.579 174.311 174.900 -0.017 0.000 1.334 254 G CA -0.611 44.498 45.100 0.015 0.000 0.934 254 G HN 0.070 nan 8.290 nan 0.000 0.476 255 G N -0.442 108.314 108.800 -0.072 0.000 2.321 255 G HA2 0.379 4.339 3.960 0.000 0.000 0.237 255 G HA3 0.379 4.339 3.960 0.000 0.000 0.237 255 G C 0.189 174.956 174.900 -0.221 0.000 1.282 255 G CA -0.156 44.834 45.100 -0.184 0.000 0.886 255 G HN 0.634 nan 8.290 nan 0.000 0.528 256 I N 1.298 121.754 120.570 -0.190 0.000 2.428 256 I HA 0.232 4.402 4.170 0.000 0.000 0.289 256 I C 0.373 176.350 176.117 -0.233 0.000 1.019 256 I CA -0.393 60.851 61.300 -0.093 0.000 1.351 256 I CB 1.338 39.339 38.000 0.002 0.000 1.412 256 I HN 0.464 nan 8.210 nan 0.000 0.513 257 F N 3.536 123.514 119.950 0.047 0.000 2.559 257 F HA 0.455 4.982 4.527 0.000 0.000 0.286 257 F C 0.951 176.773 175.800 0.037 0.000 1.108 257 F CA 0.191 58.211 58.000 0.033 0.000 1.436 257 F CB 0.383 39.394 39.000 0.019 0.000 1.130 257 F HN 0.528 nan 8.300 nan 0.000 0.584 258 A N 0.030 122.988 122.820 0.229 0.000 2.601 258 A HA 0.701 5.021 4.320 0.000 0.000 0.291 258 A C -1.762 175.921 177.584 0.165 0.000 1.075 258 A CA -0.657 51.488 52.037 0.181 0.000 0.671 258 A CB 1.100 20.201 19.000 0.168 0.000 1.277 258 A HN 0.185 nan 8.150 nan 0.000 0.417 259 L N -1.418 119.894 121.223 0.149 0.000 2.341 259 L HA 1.038 5.378 4.340 0.000 0.000 0.254 259 L C -0.518 176.433 176.870 0.136 0.000 1.040 259 L CA -0.581 54.342 54.840 0.139 0.000 0.837 259 L CB 2.107 44.196 42.059 0.051 0.000 1.425 259 L HN 1.141 nan 8.230 nan 0.000 0.414 260 S N -0.041 115.743 115.700 0.141 0.000 2.582 260 S HA 0.466 4.936 4.470 0.000 0.000 0.287 260 S C -1.981 172.763 174.600 0.240 0.000 1.146 260 S CA -0.517 57.800 58.200 0.195 0.000 0.941 260 S CB 0.584 63.899 63.200 0.192 0.000 1.115 260 S HN 0.605 nan 8.310 nan 0.000 0.458 261 W N 5.346 126.799 121.300 0.254 0.000 2.238 261 W HA 0.368 5.029 4.660 0.000 0.000 0.321 261 W C 1.374 178.027 176.519 0.223 0.000 1.293 261 W CA -0.486 57.036 57.345 0.294 0.000 1.204 261 W CB 0.516 30.136 29.460 0.268 0.000 1.167 261 W HN 0.597 nan 8.180 nan 0.000 0.553 262 L N 1.734 123.218 121.223 0.435 0.000 2.307 262 L HA 0.048 4.388 4.340 0.000 0.000 0.211 262 L C 0.324 177.368 176.870 0.290 0.000 1.099 262 L CA 0.707 55.720 54.840 0.288 0.000 0.816 262 L CB -0.545 41.641 42.059 0.211 0.000 0.952 262 L HN 0.507 nan 8.230 nan 0.000 0.455 263 D N -3.376 117.251 120.400 0.378 0.000 3.182 263 D HA -0.034 4.606 4.640 0.000 0.000 0.352 263 D C 0.506 177.011 176.300 0.342 0.000 1.421 263 D CA 0.200 54.375 54.000 0.291 0.000 0.912 263 D CB 0.264 41.192 40.800 0.213 0.000 1.461 263 D HN -0.178 nan 8.370 nan 0.000 0.548 264 S N -1.532 114.291 115.700 0.206 0.000 2.515 264 S HA -0.081 4.389 4.470 0.000 0.000 0.231 264 S C 0.865 175.649 174.600 0.307 0.000 0.987 264 S CA 0.843 59.121 58.200 0.129 0.000 0.936 264 S CB -0.289 62.947 63.200 0.060 0.000 0.766 264 S HN 0.412 nan 8.310 nan 0.000 0.528 265 Q N 0.371 120.424 119.800 0.422 0.000 2.369 265 Q HA 0.382 4.722 4.340 0.000 0.000 0.254 265 Q C -0.202 176.127 176.000 0.548 0.000 0.858 265 Q CA 0.554 56.639 55.803 0.470 0.000 0.961 265 Q CB 0.564 29.470 28.738 0.279 0.000 1.119 265 Q HN 0.562 nan 8.270 nan 0.000 0.538 266 K N 0.706 121.415 120.400 0.514 0.000 2.318 266 K HA 0.594 4.914 4.320 0.000 0.000 0.249 266 K C -0.839 175.965 176.600 0.340 0.000 0.942 266 K CA -0.697 55.769 56.287 0.297 0.000 0.808 266 K CB 1.952 34.532 32.500 0.132 0.000 1.189 266 K HN -0.110 nan 8.250 nan 0.000 0.428 267 F N -1.079 118.834 119.950 -0.061 0.000 2.631 267 F HA 0.774 5.301 4.527 0.000 0.000 0.308 267 F C -1.380 174.398 175.800 -0.038 0.000 1.097 267 F CA -1.306 56.562 58.000 -0.220 0.000 0.952 267 F CB 1.147 39.539 39.000 -1.013 0.000 1.307 267 F HN 0.477 nan 8.300 nan 0.000 0.450 268 A N 1.324 124.222 122.820 0.129 0.000 2.325 268 A HA 0.843 5.163 4.320 0.000 0.000 0.333 268 A C -0.404 177.340 177.584 0.268 0.000 1.155 268 A CA -0.201 51.914 52.037 0.130 0.000 0.814 268 A CB 0.930 20.000 19.000 0.118 0.000 1.206 268 A HN 1.167 nan 8.150 nan 0.000 0.482 269 T N -1.500 113.230 114.554 0.294 0.000 2.887 269 T HA 0.717 5.067 4.350 0.000 0.000 0.288 269 T C -0.884 173.945 174.700 0.215 0.000 1.021 269 T CA -0.739 61.539 62.100 0.297 0.000 1.000 269 T CB 1.483 70.584 68.868 0.388 0.000 1.034 269 T HN 0.839 nan 8.240 nan 0.000 0.467 270 V N 0.943 120.974 119.914 0.194 0.000 2.760 270 V HA 0.892 5.012 4.120 0.000 0.000 0.309 270 V C 0.265 176.498 176.094 0.232 0.000 1.077 270 V CA 0.057 62.462 62.300 0.175 0.000 0.910 270 V CB 1.974 33.883 31.823 0.143 0.000 1.008 270 V HN 1.446 nan 8.190 nan 0.000 0.424 271 G N 2.158 111.099 108.800 0.234 0.000 2.749 271 G HA2 0.600 4.560 3.960 0.000 0.000 0.300 271 G HA3 0.600 4.560 3.960 0.000 0.000 0.300 271 G C 0.516 175.615 174.900 0.333 0.000 1.352 271 G CA 0.147 45.444 45.100 0.328 0.000 0.789 271 G HN 1.033 nan 8.290 nan 0.000 0.509 272 A N -0.379 122.663 122.820 0.370 0.000 2.178 272 A HA 0.070 4.390 4.320 0.000 0.000 0.218 272 A C 1.453 179.126 177.584 0.148 0.000 1.157 272 A CA 2.071 54.289 52.037 0.302 0.000 0.689 272 A CB -0.400 18.773 19.000 0.287 0.000 0.787 272 A HN 0.603 nan 8.150 nan 0.000 0.465 273 D N -1.210 119.258 120.400 0.114 0.000 2.370 273 D HA 0.359 5.000 4.640 0.000 0.000 0.230 273 D C 0.677 177.014 176.300 0.062 0.000 1.143 273 D CA 0.316 54.358 54.000 0.071 0.000 0.834 273 D CB -0.780 40.052 40.800 0.053 0.000 0.944 273 D HN 0.730 nan 8.370 nan 0.000 0.504 274 A N -0.531 122.334 122.820 0.074 0.000 2.665 274 A HA -0.161 4.159 4.320 0.000 0.000 0.301 274 A C 0.208 177.822 177.584 0.051 0.000 1.509 274 A CA 1.178 53.250 52.037 0.059 0.000 0.789 274 A CB -2.465 16.562 19.000 0.045 0.000 1.024 274 A HN 0.343 nan 8.150 nan 0.000 0.460 275 T N -0.487 114.099 114.554 0.052 0.000 2.886 275 T HA 0.632 4.982 4.350 0.000 0.000 0.292 275 T C -0.349 174.366 174.700 0.024 0.000 1.012 275 T CA -0.403 61.711 62.100 0.024 0.000 0.982 275 T CB 1.329 70.200 68.868 0.005 0.000 1.018 275 T HN 0.372 nan 8.240 nan 0.000 0.451 276 I N 3.147 123.711 120.570 -0.011 0.000 2.339 276 I HA 0.456 4.626 4.170 0.000 0.000 0.290 276 I C 0.394 176.462 176.117 -0.081 0.000 0.994 276 I CA -0.378 60.924 61.300 0.002 0.000 1.191 276 I CB 1.020 39.005 38.000 -0.026 0.000 1.343 276 I HN 0.345 nan 8.210 nan 0.000 0.458 277 R N 4.658 125.094 120.500 -0.106 0.000 2.670 277 R HA 0.814 5.154 4.340 0.000 0.000 0.289 277 R C -1.389 174.646 176.300 -0.443 0.000 0.965 277 R CA -1.025 54.838 56.100 -0.396 0.000 0.899 277 R CB 2.518 32.516 30.300 -0.504 0.000 1.173 277 R HN 0.277 nan 8.270 nan 0.000 0.456 278 V N 2.484 122.005 119.914 -0.655 0.000 2.417 278 V HA 0.414 4.535 4.120 0.000 0.000 0.291 278 V C -0.952 174.682 176.094 -0.766 0.000 1.024 278 V CA -0.786 61.207 62.300 -0.511 0.000 0.861 278 V CB 0.967 32.602 31.823 -0.314 0.000 0.985 278 V HN 0.639 nan 8.190 nan 0.000 0.436 279 W N 1.659 122.536 121.300 -0.706 0.000 2.647 279 W HA 0.557 5.217 4.660 0.000 0.000 0.353 279 W C -0.044 176.116 176.519 -0.600 0.000 1.080 279 W CA -0.648 56.263 57.345 -0.724 0.000 1.208 279 W CB 0.905 29.750 29.460 -1.025 0.000 1.396 279 W HN 0.445 nan 8.180 nan 0.000 0.573 280 D N 1.141 121.504 120.400 -0.061 0.000 2.381 280 D HA 0.150 4.790 4.640 0.000 0.000 0.235 280 D C 1.052 177.405 176.300 0.089 0.000 1.068 280 D CA -0.267 53.746 54.000 0.022 0.000 0.832 280 D CB 2.176 42.986 40.800 0.017 0.000 1.101 280 D HN 0.355 nan 8.370 nan 0.000 0.515 281 V N 2.261 122.280 119.914 0.176 0.000 2.332 281 V HA -0.195 3.925 4.120 0.000 0.000 0.248 281 V C 2.099 178.157 176.094 -0.060 0.000 1.055 281 V CA 1.636 63.986 62.300 0.083 0.000 1.038 281 V CB -1.287 30.539 31.823 0.005 0.000 0.651 281 V HN 0.499 nan 8.190 nan 0.000 0.450 282 T N 1.471 116.029 114.554 0.006 0.000 2.737 282 T HA -0.140 4.210 4.350 0.000 0.000 0.265 282 T C 1.961 176.664 174.700 0.006 0.000 1.038 282 T CA 2.537 64.644 62.100 0.011 0.000 1.144 282 T CB -0.561 68.355 68.868 0.079 0.000 0.866 282 T HN 0.871 nan 8.240 nan 0.000 0.434 283 T N -1.064 113.504 114.554 0.024 0.000 3.067 283 T HA 0.183 4.533 4.350 0.000 0.000 0.257 283 T C 1.332 176.047 174.700 0.026 0.000 1.105 283 T CA 0.979 63.091 62.100 0.019 0.000 1.104 283 T CB -0.179 68.700 68.868 0.018 0.000 0.925 283 T HN 0.254 nan 8.240 nan 0.000 0.498 284 S N 0.101 115.827 115.700 0.042 0.000 3.380 284 S HA -0.140 4.330 4.470 0.000 0.000 0.300 284 S C 0.006 174.710 174.600 0.172 0.000 1.255 284 S CA 0.547 58.794 58.200 0.079 0.000 0.963 284 S CB -1.279 61.934 63.200 0.021 0.000 1.106 284 S HN 0.635 nan 8.310 nan 0.000 0.629 285 K N 1.005 121.476 120.400 0.117 0.000 2.098 285 K HA 0.436 4.756 4.320 0.000 0.000 0.258 285 K C 0.227 176.804 176.600 -0.038 0.000 0.973 285 K CA -0.379 55.945 56.287 0.061 0.000 0.898 285 K CB 1.301 33.790 32.500 -0.018 0.000 1.057 285 K HN 0.304 nan 8.250 nan 0.000 0.447 286 C N 3.881 123.020 119.300 -0.269 0.000 2.227 286 C HA 0.184 4.644 4.460 0.000 0.000 0.333 286 C C 1.798 176.504 174.990 -0.473 0.000 1.145 286 C CA -0.659 57.928 59.018 -0.718 0.000 1.643 286 C CB -1.638 25.482 27.740 -1.034 0.000 2.185 286 C HN 0.603 nan 8.230 nan 0.000 0.497 287 V N 2.981 122.647 119.914 -0.413 0.000 3.306 287 V HA 0.195 4.315 4.120 0.000 0.000 0.264 287 V C 0.343 176.216 176.094 -0.367 0.000 1.149 287 V CA 1.143 63.261 62.300 -0.304 0.000 1.143 287 V CB -1.042 30.657 31.823 -0.207 0.000 0.767 287 V HN 0.886 nan 8.190 nan 0.000 0.476 288 Q N 0.867 120.355 119.800 -0.520 0.000 2.479 288 Q HA 0.614 4.954 4.340 0.000 0.000 0.276 288 Q C -1.220 174.264 176.000 -0.859 0.000 0.989 288 Q CA -0.618 54.784 55.803 -0.668 0.000 0.864 288 Q CB 2.057 30.393 28.738 -0.670 0.000 1.444 288 Q HN 0.665 nan 8.270 nan 0.000 0.388 289 K N 0.859 120.643 120.400 -1.027 0.000 2.568 289 K HA 0.682 5.002 4.320 0.000 0.000 0.273 289 K C -1.531 174.482 176.600 -0.979 0.000 0.951 289 K CA -0.840 54.921 56.287 -0.876 0.000 0.854 289 K CB 1.469 33.652 32.500 -0.528 0.000 1.424 289 K HN 0.458 nan 8.250 nan 0.000 0.427 290 W N 1.522 122.638 121.300 -0.307 0.000 3.032 290 W HA 0.422 5.082 4.660 0.000 0.000 0.335 290 W C -0.795 175.602 176.519 -0.203 0.000 1.154 290 W CA -0.629 56.549 57.345 -0.278 0.000 1.204 290 W CB 2.299 31.426 29.460 -0.554 0.000 1.416 290 W HN 0.865 nan 8.180 nan 0.000 0.521 291 T N -0.477 114.150 114.554 0.122 0.000 2.901 291 T HA 0.839 5.189 4.350 0.000 0.000 0.293 291 T C -1.207 173.552 174.700 0.098 0.000 1.084 291 T CA -0.655 61.487 62.100 0.071 0.000 1.008 291 T CB 2.345 71.226 68.868 0.022 0.000 1.170 291 T HN 0.118 nan 8.240 nan 0.000 0.509 292 L N 0.988 122.253 121.223 0.070 0.000 2.309 292 L HA 0.555 4.895 4.340 0.000 0.000 0.261 292 L C -0.312 176.580 176.870 0.036 0.000 1.021 292 L CA -0.755 54.121 54.840 0.060 0.000 0.823 292 L CB 1.589 43.684 42.059 0.060 0.000 1.366 292 L HN 0.809 nan 8.230 nan 0.000 0.423 293 D N 0.763 121.178 120.400 0.024 0.000 2.451 293 D HA -0.010 4.630 4.640 0.000 0.000 0.254 293 D C 0.743 177.053 176.300 0.016 0.000 1.204 293 D CA 0.576 54.585 54.000 0.015 0.000 0.896 293 D CB 0.811 41.615 40.800 0.007 0.000 1.136 293 D HN 0.399 nan 8.370 nan 0.000 0.499 294 K N 2.451 122.861 120.400 0.016 0.000 2.362 294 K HA -0.128 4.192 4.320 0.000 0.000 0.200 294 K C 1.524 178.134 176.600 0.016 0.000 1.046 294 K CA 0.718 57.016 56.287 0.019 0.000 0.952 294 K CB 0.186 32.697 32.500 0.018 0.000 0.753 294 K HN 0.547 nan 8.250 nan 0.000 0.466 295 Q N 0.506 120.313 119.800 0.011 0.000 2.515 295 Q HA -0.048 4.292 4.340 0.000 0.000 0.212 295 Q C -0.153 175.852 176.000 0.009 0.000 0.970 295 Q CA 0.643 56.452 55.803 0.009 0.000 0.941 295 Q CB 0.287 29.029 28.738 0.006 0.000 0.998 295 Q HN 0.282 nan 8.270 nan 0.000 0.518 296 Q N 0.537 120.341 119.800 0.008 0.000 2.368 296 Q HA 0.113 4.453 4.340 0.000 0.000 0.263 296 Q C 0.253 176.257 176.000 0.006 0.000 1.009 296 Q CA -0.332 55.474 55.803 0.004 0.000 0.818 296 Q CB 1.571 30.306 28.738 -0.004 0.000 1.239 296 Q HN 0.129 nan 8.270 nan 0.000 0.464 297 L N 3.384 124.613 121.223 0.010 0.000 2.051 297 L HA -0.175 4.165 4.340 0.000 0.000 0.214 297 L C 1.786 178.657 176.870 0.001 0.000 1.076 297 L CA 2.682 57.530 54.840 0.013 0.000 0.758 297 L CB -0.673 41.397 42.059 0.018 0.000 0.890 297 L HN 0.845 nan 8.230 nan 0.000 0.433 298 G N -1.214 107.580 108.800 -0.009 0.000 2.498 298 G HA2 -0.267 3.693 3.960 0.000 0.000 0.219 298 G HA3 -0.267 3.693 3.960 0.000 0.000 0.219 298 G C 1.280 176.162 174.900 -0.029 0.000 1.119 298 G CA 0.684 45.769 45.100 -0.025 0.000 0.766 298 G HN 0.489 nan 8.290 nan 0.000 0.552 299 N N 0.410 119.102 118.700 -0.013 0.000 2.521 299 N HA 0.025 4.765 4.740 0.000 0.000 0.188 299 N C 0.920 176.431 175.510 0.002 0.000 1.146 299 N CA 0.097 53.145 53.050 -0.004 0.000 0.893 299 N CB 0.064 38.556 38.487 0.009 0.000 0.975 299 N HN 0.474 nan 8.380 nan 0.000 0.451 300 Q N 0.824 120.620 119.800 -0.006 0.000 2.330 300 Q HA 0.034 4.375 4.340 0.000 0.000 0.279 300 Q C -0.212 175.758 176.000 -0.050 0.000 1.024 300 Q CA 0.266 56.069 55.803 -0.000 0.000 0.900 300 Q CB 0.555 29.290 28.738 -0.004 0.000 1.221 300 Q HN 0.060 nan 8.270 nan 0.000 0.396 301 Q N 1.888 121.685 119.800 -0.005 0.000 2.322 301 Q HA 0.124 4.464 4.340 0.000 0.000 0.256 301 Q C 0.413 176.348 176.000 -0.109 0.000 0.960 301 Q CA -0.025 55.765 55.803 -0.022 0.000 0.934 301 Q CB 1.388 30.160 28.738 0.056 0.000 1.200 301 Q HN 0.640 nan 8.270 nan 0.000 0.435 302 V N -0.392 119.373 119.914 -0.249 0.000 3.578 302 V HA 0.621 4.741 4.120 0.000 0.000 0.290 302 V C 0.539 176.551 176.094 -0.137 0.000 1.376 302 V CA 0.498 62.533 62.300 -0.442 0.000 1.083 302 V CB 0.635 32.103 31.823 -0.593 0.000 0.911 302 V HN 0.563 nan 8.190 nan 0.000 0.433 303 G N -1.063 107.710 108.800 -0.045 0.000 2.667 303 G HA2 0.590 4.550 3.960 0.000 0.000 0.294 303 G HA3 0.590 4.550 3.960 0.000 0.000 0.294 303 G C -1.992 172.926 174.900 0.032 0.000 1.467 303 G CA 0.002 45.106 45.100 0.007 0.000 0.852 303 G HN 0.779 nan 8.290 nan 0.000 0.521 304 V N -0.076 119.880 119.914 0.070 0.000 3.147 304 V HA 0.853 4.973 4.120 0.000 0.000 0.299 304 V C -1.522 174.629 176.094 0.095 0.000 1.302 304 V CA -0.584 61.755 62.300 0.065 0.000 1.015 304 V CB 2.075 33.949 31.823 0.086 0.000 1.086 304 V HN 1.511 nan 8.190 nan 0.000 0.437 305 V N 4.898 124.851 119.914 0.065 0.000 2.817 305 V HA 0.869 4.989 4.120 0.000 0.000 0.303 305 V C -0.044 176.069 176.094 0.031 0.000 1.151 305 V CA 0.168 62.527 62.300 0.097 0.000 0.929 305 V CB 1.886 33.798 31.823 0.147 0.000 1.030 305 V HN 1.711 nan 8.190 nan 0.000 0.427 306 A N 3.709 126.574 122.820 0.075 0.000 2.366 306 A HA 0.620 4.940 4.320 0.000 0.000 0.272 306 A C 0.805 178.326 177.584 -0.105 0.000 1.135 306 A CA 0.412 52.468 52.037 0.032 0.000 0.804 306 A CB 0.569 19.653 19.000 0.139 0.000 1.064 306 A HN 1.504 nan 8.150 nan 0.000 0.499 307 T N -0.148 114.228 114.554 -0.297 0.000 3.269 307 T HA 0.526 4.876 4.350 0.000 0.000 0.269 307 T C 0.682 175.172 174.700 -0.350 0.000 0.993 307 T CA 0.373 61.981 62.100 -0.819 0.000 0.909 307 T CB -0.824 67.363 68.868 -1.134 0.000 1.115 307 T HN 2.458 nan 8.240 nan 0.000 0.543 308 G N 1.982 110.751 108.800 -0.052 0.000 2.722 308 G HA2 -0.090 3.870 3.960 0.000 0.000 0.686 308 G HA3 -0.090 3.870 3.960 0.000 0.000 0.686 308 G C -0.077 174.856 174.900 0.054 0.000 1.282 308 G CA -0.612 44.526 45.100 0.062 0.000 0.817 308 G HN 0.578 nan 8.290 nan 0.000 0.605 309 N N -0.509 118.239 118.700 0.079 0.000 2.727 309 N HA -0.165 4.575 4.740 0.000 0.000 0.249 309 N C 1.796 177.354 175.510 0.079 0.000 1.048 309 N CA 2.952 56.048 53.050 0.076 0.000 0.714 309 N CB -1.182 37.346 38.487 0.067 0.000 0.959 309 N HN 2.640 nan 8.380 nan 0.000 0.544 310 G N -1.038 107.817 108.800 0.091 0.000 2.205 310 G HA2 -0.380 3.580 3.960 0.000 0.000 0.261 310 G HA3 -0.380 3.580 3.960 0.000 0.000 0.261 310 G C 0.241 175.204 174.900 0.105 0.000 0.980 310 G CA 0.675 45.840 45.100 0.109 0.000 0.632 310 G HN 0.569 nan 8.290 nan 0.000 0.533 311 R N -0.232 120.303 120.500 0.058 0.000 2.490 311 R HA 0.712 5.052 4.340 0.000 0.000 0.278 311 R C 0.105 176.395 176.300 -0.016 0.000 1.069 311 R CA 0.019 56.133 56.100 0.024 0.000 1.080 311 R CB 0.710 31.007 30.300 -0.004 0.000 1.030 311 R HN 0.333 nan 8.270 nan 0.000 0.491 312 I N 3.165 123.714 120.570 -0.036 0.000 2.656 312 I HA 0.359 4.529 4.170 0.000 0.000 0.292 312 I C -0.652 175.378 176.117 -0.145 0.000 1.144 312 I CA -0.620 60.646 61.300 -0.056 0.000 1.038 312 I CB 2.288 40.299 38.000 0.018 0.000 1.244 312 I HN 0.410 nan 8.210 nan 0.000 0.420 313 I N 3.973 124.421 120.570 -0.203 0.000 2.389 313 I HA 0.342 4.512 4.170 0.000 0.000 0.288 313 I C -0.165 175.844 176.117 -0.180 0.000 0.999 313 I CA -0.279 60.800 61.300 -0.368 0.000 1.129 313 I CB 1.956 39.647 38.000 -0.515 0.000 1.288 313 I HN 0.467 nan 8.210 nan 0.000 0.444 314 S N 6.184 121.806 115.700 -0.130 0.000 2.501 314 S HA 0.647 5.117 4.470 0.000 0.000 0.301 314 S C -0.965 173.590 174.600 -0.075 0.000 1.096 314 S CA -0.566 57.615 58.200 -0.031 0.000 1.063 314 S CB 1.403 64.655 63.200 0.087 0.000 1.042 314 S HN 0.423 nan 8.310 nan 0.000 0.494 315 L N 4.327 125.512 121.223 -0.063 0.000 2.287 315 L HA 0.611 4.951 4.340 0.000 0.000 0.287 315 L C -0.109 176.710 176.870 -0.084 0.000 1.022 315 L CA 0.181 54.965 54.840 -0.093 0.000 0.814 315 L CB 1.297 43.293 42.059 -0.105 0.000 1.217 315 L HN 0.621 nan 8.230 nan 0.000 0.420 316 S N 3.959 119.609 115.700 -0.083 0.000 2.617 316 S HA 0.221 4.691 4.470 0.000 0.000 0.269 316 S C 0.942 175.479 174.600 -0.106 0.000 1.292 316 S CA -0.524 57.630 58.200 -0.078 0.000 1.010 316 S CB 1.200 64.364 63.200 -0.059 0.000 0.944 316 S HN 0.772 nan 8.310 nan 0.000 0.536 317 L N 2.130 123.288 121.223 -0.110 0.000 2.191 317 L HA -0.090 4.250 4.340 0.000 0.000 0.212 317 L C 1.387 178.208 176.870 -0.082 0.000 1.103 317 L CA 1.921 56.693 54.840 -0.114 0.000 0.769 317 L CB -0.914 41.084 42.059 -0.101 0.000 0.908 317 L HN 0.797 nan 8.230 nan 0.000 0.438 318 D N -1.441 118.915 120.400 -0.074 0.000 2.338 318 D HA 0.163 4.803 4.640 0.000 0.000 0.239 318 D C 1.596 177.842 176.300 -0.090 0.000 1.095 318 D CA 0.642 54.599 54.000 -0.072 0.000 0.888 318 D CB -0.399 40.359 40.800 -0.070 0.000 0.899 318 D HN 0.403 nan 8.370 nan 0.000 0.525 319 G N -0.854 107.887 108.800 -0.098 0.000 2.179 319 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 319 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 319 G C 0.483 175.306 174.900 -0.129 0.000 0.977 319 G CA 0.398 45.429 45.100 -0.115 0.000 0.641 319 G HN 0.478 nan 8.290 nan 0.000 0.533 320 T N 2.442 116.927 114.554 -0.113 0.000 2.907 320 T HA 0.530 4.880 4.350 0.000 0.000 0.298 320 T C 0.375 175.014 174.700 -0.101 0.000 1.017 320 T CA -0.088 61.950 62.100 -0.103 0.000 1.118 320 T CB 1.371 70.184 68.868 -0.092 0.000 0.948 320 T HN 0.142 nan 8.240 nan 0.000 0.531 321 L N 4.297 125.473 121.223 -0.079 0.000 2.282 321 L HA 0.391 4.731 4.340 0.000 0.000 0.288 321 L C 0.272 177.102 176.870 -0.066 0.000 1.033 321 L CA -0.266 54.506 54.840 -0.112 0.000 0.807 321 L CB 0.886 42.892 42.059 -0.090 0.000 1.209 321 L HN 0.633 nan 8.230 nan 0.000 0.423 322 N N 4.160 122.759 118.700 -0.168 0.000 2.424 322 N HA 0.375 5.115 4.740 0.000 0.000 0.271 322 N C -1.018 174.248 175.510 -0.407 0.000 0.985 322 N CA -0.371 52.556 53.050 -0.206 0.000 0.921 322 N CB 1.768 40.187 38.487 -0.112 0.000 1.149 322 N HN 0.219 nan 8.380 nan 0.000 0.492 323 F N 2.554 122.182 119.950 -0.538 0.000 2.391 323 F HA 0.386 4.913 4.527 0.000 0.000 0.359 323 F C 0.039 175.380 175.800 -0.765 0.000 1.122 323 F CA -0.435 57.280 58.000 -0.474 0.000 1.120 323 F CB 0.358 39.186 39.000 -0.285 0.000 1.142 323 F HN 0.355 nan 8.300 nan 0.000 0.483 324 Y N 0.534 120.644 120.300 -0.317 0.000 2.630 324 Y HA 0.574 5.124 4.550 0.000 0.000 0.337 324 Y C -0.372 175.326 175.900 -0.337 0.000 1.051 324 Y CA -1.183 56.538 58.100 -0.632 0.000 1.121 324 Y CB 2.045 39.640 38.460 -1.442 0.000 1.299 324 Y HN 0.440 nan 8.280 nan 0.000 0.498 325 E N 1.481 121.660 120.200 -0.034 0.000 2.287 325 E HA 0.254 4.604 4.350 0.000 0.000 0.274 325 E C -1.592 175.241 176.600 0.389 0.000 0.896 325 E CA -0.618 55.884 56.400 0.170 0.000 0.788 325 E CB 1.468 31.272 29.700 0.174 0.000 1.244 325 E HN 0.664 nan 8.360 nan 0.000 0.408 326 L N 4.235 125.687 121.223 0.382 0.000 2.615 326 L HA 0.032 4.372 4.340 0.000 0.000 0.284 326 L C 1.063 178.084 176.870 0.252 0.000 1.237 326 L CA 2.240 57.287 54.840 0.346 0.000 0.905 326 L CB 0.059 42.235 42.059 0.194 0.000 1.149 326 L HN 1.086 nan 8.230 nan 0.000 0.499 327 G N 2.782 111.708 108.800 0.209 0.000 2.213 327 G HA2 -0.282 3.678 3.960 0.000 0.000 0.236 327 G HA3 -0.282 3.678 3.960 0.000 0.000 0.236 327 G C 0.184 175.229 174.900 0.240 0.000 0.991 327 G CA 0.304 45.497 45.100 0.154 0.000 0.629 327 G HN 0.829 nan 8.290 nan 0.000 0.517 328 H N 0.728 119.936 119.070 0.230 0.000 2.587 328 H HA 0.465 5.021 4.556 0.000 0.000 0.325 328 H C 0.024 175.599 175.328 0.411 0.000 1.012 328 H CA -0.720 55.468 56.048 0.233 0.000 1.213 328 H CB 1.030 30.907 29.762 0.191 0.000 1.431 328 H HN 0.032 nan 8.280 nan 0.000 0.492 329 D N 3.812 124.416 120.400 0.339 0.000 2.363 329 D HA -0.021 4.619 4.640 0.000 0.000 0.226 329 D C -0.248 176.226 176.300 0.291 0.000 1.020 329 D CA 0.754 54.915 54.000 0.268 0.000 0.892 329 D CB 0.420 41.276 40.800 0.093 0.000 0.900 329 D HN 0.662 nan 8.370 nan 0.000 0.531 330 E N -0.015 120.126 120.200 -0.099 0.000 2.238 330 E HA 0.352 4.702 4.350 0.000 0.000 0.267 330 E C -0.631 175.752 176.600 -0.363 0.000 0.887 330 E CA -0.977 55.316 56.400 -0.178 0.000 0.769 330 E CB 2.989 32.574 29.700 -0.192 0.000 1.187 330 E HN -0.210 nan 8.360 nan 0.000 0.416 331 V N 4.264 124.046 119.914 -0.220 0.000 2.763 331 V HA -0.049 4.071 4.120 0.000 0.000 0.306 331 V C 0.932 176.803 176.094 -0.371 0.000 1.059 331 V CA 0.503 62.496 62.300 -0.512 0.000 1.138 331 V CB 0.192 31.690 31.823 -0.542 0.000 0.940 331 V HN 0.733 nan 8.190 nan 0.000 0.489 332 L N 5.265 126.274 121.223 -0.356 0.000 2.068 332 L HA 0.165 4.505 4.340 0.000 0.000 0.204 332 L C 1.030 177.798 176.870 -0.170 0.000 1.076 332 L CA 1.350 56.097 54.840 -0.154 0.000 0.753 332 L CB -0.399 41.613 42.059 -0.078 0.000 0.910 332 L HN 0.857 nan 8.230 nan 0.000 0.439 333 K N -1.949 118.322 120.400 -0.215 0.000 2.658 333 K HA 0.379 4.699 4.320 0.000 0.000 0.293 333 K C -1.134 175.386 176.600 -0.133 0.000 1.026 333 K CA -0.760 55.405 56.287 -0.203 0.000 0.871 333 K CB 1.919 34.242 32.500 -0.295 0.000 1.524 333 K HN -0.303 nan 8.250 nan 0.000 0.400 334 T N 1.080 115.568 114.554 -0.109 0.000 2.886 334 T HA 0.603 4.953 4.350 0.000 0.000 0.292 334 T C -1.348 173.332 174.700 -0.033 0.000 1.012 334 T CA -0.778 61.297 62.100 -0.042 0.000 0.982 334 T CB 0.667 69.483 68.868 -0.087 0.000 1.018 334 T HN 0.501 nan 8.240 nan 0.000 0.451 335 I N 3.851 124.444 120.570 0.039 0.000 2.410 335 I HA 0.422 4.592 4.170 0.000 0.000 0.286 335 I C 0.108 176.210 176.117 -0.025 0.000 1.009 335 I CA -0.553 60.761 61.300 0.022 0.000 1.111 335 I CB 1.984 40.050 38.000 0.111 0.000 1.262 335 I HN 0.527 nan 8.210 nan 0.000 0.443 336 S N 3.222 118.872 115.700 -0.084 0.000 2.726 336 S HA 0.989 5.459 4.470 0.000 0.000 0.308 336 S C 0.094 174.587 174.600 -0.177 0.000 1.115 336 S CA -0.582 57.528 58.200 -0.150 0.000 0.965 336 S CB 2.370 65.440 63.200 -0.216 0.000 1.145 336 S HN 0.943 nan 8.310 nan 0.000 0.532 337 G N 0.081 108.738 108.800 -0.238 0.000 2.333 337 G HA2 0.276 4.236 3.960 0.000 0.000 0.288 337 G HA3 0.276 4.236 3.960 0.000 0.000 0.288 337 G C -1.977 172.756 174.900 -0.277 0.000 1.286 337 G CA -0.901 44.047 45.100 -0.252 0.000 0.865 337 G HN 0.652 nan 8.290 nan 0.000 0.506 338 H N 0.556 119.631 119.070 0.009 0.000 2.482 338 H HA 0.411 4.967 4.556 0.000 0.000 0.344 338 H C 0.217 175.508 175.328 -0.062 0.000 1.151 338 H CA 0.466 56.490 56.048 -0.039 0.000 1.300 338 H CB 1.697 31.446 29.762 -0.021 0.000 1.494 338 H HN 0.609 nan 8.280 nan 0.000 0.542 339 N N 0.101 118.822 118.700 0.036 0.000 2.232 339 N HA 0.111 4.851 4.740 0.000 0.000 0.240 339 N C -0.614 174.860 175.510 -0.061 0.000 1.307 339 N CA -0.330 52.714 53.050 -0.010 0.000 0.859 339 N CB 0.799 39.273 38.487 -0.023 0.000 1.260 339 N HN 0.198 nan 8.380 nan 0.000 0.501 340 K N -0.102 120.211 120.400 -0.144 0.000 2.435 340 K HA 0.711 5.031 4.320 0.000 0.000 0.251 340 K C 0.075 176.424 176.600 -0.418 0.000 0.954 340 K CA -0.596 55.434 56.287 -0.428 0.000 0.820 340 K CB 1.930 33.990 32.500 -0.732 0.000 1.292 340 K HN 0.165 nan 8.250 nan 0.000 0.436 341 G N 1.988 110.534 108.800 -0.424 0.000 2.287 341 G HA2 0.053 4.013 3.960 0.000 0.000 0.235 341 G HA3 0.053 4.013 3.960 0.000 0.000 0.235 341 G C -0.178 174.617 174.900 -0.175 0.000 1.258 341 G CA -0.038 45.018 45.100 -0.073 0.000 0.884 341 G HN 0.511 nan 8.290 nan 0.000 0.518 342 I N 2.124 122.584 120.570 -0.183 0.000 2.325 342 I HA 0.157 4.327 4.170 0.000 0.000 0.291 342 I C 1.567 177.580 176.117 -0.173 0.000 1.019 342 I CA -0.190 60.950 61.300 -0.266 0.000 1.302 342 I CB 1.527 39.340 38.000 -0.310 0.000 1.401 342 I HN 0.700 nan 8.210 nan 0.000 0.485 343 T N 1.703 116.160 114.554 -0.161 0.000 2.990 343 T HA 0.459 4.809 4.350 0.000 0.000 0.250 343 T C 0.413 175.037 174.700 -0.125 0.000 1.041 343 T CA -0.144 61.873 62.100 -0.139 0.000 1.010 343 T CB 0.491 69.257 68.868 -0.170 0.000 1.003 343 T HN 0.554 nan 8.240 nan 0.000 0.499 344 A N 0.694 123.444 122.820 -0.116 0.000 2.475 344 A HA 0.848 5.169 4.320 0.000 0.000 0.301 344 A C -1.472 176.086 177.584 -0.042 0.000 1.059 344 A CA -0.842 51.155 52.037 -0.066 0.000 0.710 344 A CB 1.665 20.628 19.000 -0.061 0.000 1.288 344 A HN 0.434 nan 8.150 nan 0.000 0.408 345 L N 0.366 121.587 121.223 -0.003 0.000 2.465 345 L HA 0.801 5.141 4.340 0.000 0.000 0.257 345 L C -0.725 176.179 176.870 0.056 0.000 0.988 345 L CA -0.230 54.623 54.840 0.022 0.000 0.827 345 L CB 2.616 44.673 42.059 -0.003 0.000 1.397 345 L HN 0.851 nan 8.230 nan 0.000 0.410 346 T N 1.310 115.909 114.554 0.074 0.000 2.883 346 T HA 0.665 5.015 4.350 0.000 0.000 0.301 346 T C -1.819 172.939 174.700 0.096 0.000 1.158 346 T CA -0.254 61.903 62.100 0.094 0.000 1.007 346 T CB 2.141 71.070 68.868 0.102 0.000 1.186 346 T HN 0.308 nan 8.240 nan 0.000 0.499 347 V N 3.892 123.869 119.914 0.105 0.000 2.876 347 V HA 0.520 4.641 4.120 0.000 0.000 0.312 347 V C -0.977 175.179 176.094 0.104 0.000 1.085 347 V CA -0.782 61.578 62.300 0.100 0.000 0.945 347 V CB 1.967 33.852 31.823 0.102 0.000 1.017 347 V HN 1.078 nan 8.190 nan 0.000 0.428 348 N N 2.951 121.708 118.700 0.095 0.000 2.614 348 N HA -0.110 4.630 4.740 0.000 0.000 0.276 348 N C -2.405 173.160 175.510 0.093 0.000 1.119 348 N CA 0.585 53.688 53.050 0.089 0.000 0.742 348 N CB -0.908 37.633 38.487 0.089 0.000 0.900 348 N HN 0.556 nan 8.380 nan 0.000 0.549 349 P HA 0.230 nan 4.420 nan 0.000 0.278 349 P C 0.092 177.460 177.300 0.113 0.000 1.258 349 P CA -0.847 62.313 63.100 0.099 0.000 0.811 349 P CB 0.971 32.729 31.700 0.097 0.000 1.063 350 L N 2.397 123.700 121.223 0.133 0.000 2.369 350 L HA 0.298 4.638 4.340 0.000 0.000 0.279 350 L C -0.424 176.605 176.870 0.266 0.000 1.108 350 L CA 0.350 55.291 54.840 0.167 0.000 0.852 350 L CB -0.909 41.224 42.059 0.123 0.000 1.169 350 L HN 0.205 nan 8.230 nan 0.000 0.452 351 I N 4.393 125.083 120.570 0.200 0.000 2.619 351 I HA 0.478 4.648 4.170 0.000 0.000 0.292 351 I C -0.528 175.686 176.117 0.161 0.000 1.100 351 I CA -0.462 60.916 61.300 0.131 0.000 1.043 351 I CB 2.209 40.172 38.000 -0.061 0.000 1.239 351 I HN 0.678 nan 8.210 nan 0.000 0.420 352 S N 3.186 119.017 115.700 0.219 0.000 2.570 352 S HA 0.950 5.420 4.470 0.000 0.000 0.286 352 S C -0.551 174.139 174.600 0.151 0.000 1.099 352 S CA -0.817 57.503 58.200 0.200 0.000 0.913 352 S CB 2.346 65.764 63.200 0.362 0.000 1.085 352 S HN 0.883 nan 8.310 nan 0.000 0.480 353 G N 0.622 109.416 108.800 -0.011 0.000 2.638 353 G HA2 0.636 4.596 3.960 0.000 0.000 0.302 353 G HA3 0.636 4.596 3.960 0.000 0.000 0.302 353 G C -0.696 174.101 174.900 -0.171 0.000 1.365 353 G CA -0.726 44.373 45.100 -0.001 0.000 0.987 353 G HN 1.052 nan 8.290 nan 0.000 0.495 354 S N -0.186 115.437 115.700 -0.129 0.000 2.786 354 S HA 0.460 4.930 4.470 0.000 0.000 0.307 354 S C 0.643 175.171 174.600 -0.120 0.000 1.121 354 S CA -0.641 57.433 58.200 -0.210 0.000 0.975 354 S CB 0.921 63.978 63.200 -0.238 0.000 1.220 354 S HN 1.048 nan 8.310 nan 0.000 0.550 355 Y N 0.189 120.423 120.300 -0.110 0.000 2.578 355 Y HA 0.241 4.792 4.550 0.000 0.000 0.297 355 Y C 0.724 176.601 175.900 -0.038 0.000 1.176 355 Y CA 0.102 58.127 58.100 -0.124 0.000 1.315 355 Y CB -0.926 37.458 38.460 -0.127 0.000 1.031 355 Y HN 0.612 nan 8.280 nan 0.000 0.524 356 D N -1.185 119.220 120.400 0.008 0.000 2.398 356 D HA 0.227 4.867 4.640 0.000 0.000 0.210 356 D C 1.774 178.124 176.300 0.082 0.000 1.094 356 D CA 0.287 54.329 54.000 0.070 0.000 0.839 356 D CB 0.008 40.796 40.800 -0.019 0.000 0.963 356 D HN 0.414 nan 8.370 nan 0.000 0.506 357 G N 0.981 109.820 108.800 0.065 0.000 2.175 357 G HA2 -0.318 3.642 3.960 0.000 0.000 0.244 357 G HA3 -0.318 3.642 3.960 0.000 0.000 0.244 357 G C 0.290 175.273 174.900 0.139 0.000 0.982 357 G CA -0.011 45.157 45.100 0.112 0.000 0.641 357 G HN 0.576 nan 8.290 nan 0.000 0.527 358 R N 0.501 121.064 120.500 0.103 0.000 2.491 358 R HA 0.642 4.982 4.340 0.000 0.000 0.283 358 R C 0.382 176.785 176.300 0.171 0.000 1.072 358 R CA -0.025 56.139 56.100 0.107 0.000 1.048 358 R CB 0.112 30.445 30.300 0.055 0.000 0.983 358 R HN 0.348 nan 8.270 nan 0.000 0.450 362 W N 1.086 122.371 121.300 -0.025 0.000 2.421 362 W HA -0.167 4.493 4.660 0.000 0.000 0.270 362 W C 2.480 178.991 176.519 -0.015 0.000 1.233 362 W CA 1.329 58.661 57.345 -0.021 0.000 1.226 362 W CB 0.033 29.484 29.460 -0.014 0.000 1.121 362 W HN 0.426 nan 8.180 nan 0.000 0.579 363 S N -0.337 115.461 115.700 0.164 0.000 2.382 363 S HA -0.165 4.305 4.470 0.000 0.000 0.228 363 S C 1.636 176.274 174.600 0.063 0.000 1.027 363 S CA 1.390 59.655 58.200 0.108 0.000 0.991 363 S CB -0.834 62.418 63.200 0.086 0.000 0.823 363 S HN 0.183 nan 8.310 nan 0.000 0.469 364 S N -0.789 114.926 115.700 0.026 0.000 2.629 364 S HA 0.434 4.904 4.470 0.000 0.000 0.236 364 S C 0.445 175.012 174.600 -0.054 0.000 1.010 364 S CA 0.142 58.339 58.200 -0.005 0.000 0.981 364 S CB -0.030 63.169 63.200 -0.001 0.000 0.919 364 S HN 0.383 nan 8.310 nan 0.000 0.514 365 S N 1.111 116.762 115.700 -0.082 0.000 3.641 365 S HA -0.144 4.326 4.470 0.000 0.000 0.346 365 S C 0.432 174.882 174.600 -0.250 0.000 1.074 365 S CA 0.702 58.794 58.200 -0.181 0.000 1.026 365 S CB -2.041 61.098 63.200 -0.102 0.000 0.908 365 S HN 0.746 nan 8.310 nan 0.000 0.479 369 Q N 1.040 120.904 119.800 0.107 0.000 2.227 369 Q HA 0.122 4.462 4.340 0.000 0.000 0.332 369 Q C -0.176 175.866 176.000 0.069 0.000 0.878 369 Q CA -0.152 55.694 55.803 0.070 0.000 1.120 369 Q CB 0.897 29.649 28.738 0.023 0.000 1.315 369 Q HN 0.471 nan 8.270 nan 0.000 0.414 370 D N -0.228 120.217 120.400 0.074 0.000 2.110 370 D HA -0.070 4.570 4.640 0.000 0.000 0.202 370 D C 0.529 176.800 176.300 -0.048 0.000 0.975 370 D CA 1.070 55.060 54.000 -0.017 0.000 0.839 370 D CB 0.274 41.022 40.800 -0.087 0.000 0.996 370 D HN 0.340 nan 8.370 nan 0.000 0.464 371 H N 0.341 119.458 119.070 0.078 0.000 2.671 371 H HA 0.142 4.698 4.556 0.000 0.000 0.372 371 H C 1.123 176.498 175.328 0.079 0.000 1.227 371 H CA 0.498 56.594 56.048 0.081 0.000 1.426 371 H CB 1.223 31.035 29.762 0.083 0.000 1.480 371 H HN 0.031 nan 8.280 nan 0.000 0.611 372 S N 0.621 116.462 115.700 0.236 0.000 2.701 372 S HA 0.136 4.606 4.470 0.000 0.000 0.242 372 S C 0.445 175.148 174.600 0.171 0.000 1.025 372 S CA -0.530 57.769 58.200 0.165 0.000 1.016 372 S CB 0.449 63.728 63.200 0.132 0.000 0.977 372 S HN 0.562 nan 8.310 nan 0.000 0.546 373 N N 0.614 119.427 118.700 0.188 0.000 3.039 373 N HA 0.317 5.057 4.740 0.000 0.000 0.257 373 N C -1.438 174.133 175.510 0.101 0.000 1.497 373 N CA -0.780 52.384 53.050 0.189 0.000 0.861 373 N CB 1.374 40.020 38.487 0.264 0.000 1.479 373 N HN 0.272 nan 8.380 nan 0.000 0.547 374 L N 1.648 122.906 121.223 0.059 0.000 2.720 374 L HA -0.035 4.305 4.340 0.000 0.000 0.289 374 L C -0.093 176.576 176.870 -0.334 0.000 1.232 374 L CA 0.304 55.014 54.840 -0.216 0.000 0.915 374 L CB 0.061 41.709 42.059 -0.684 0.000 1.184 374 L HN 0.336 nan 8.230 nan 0.000 0.491 375 I N 6.846 127.253 120.570 -0.272 0.000 2.363 375 I HA -0.021 4.149 4.170 0.000 0.000 0.292 375 I C 1.158 177.097 176.117 -0.298 0.000 1.075 375 I CA 0.113 61.249 61.300 -0.272 0.000 1.333 375 I CB 1.058 38.959 38.000 -0.165 0.000 1.415 375 I HN 0.573 nan 8.210 nan 0.000 0.502 376 V N 5.233 124.971 119.914 -0.292 0.000 2.407 376 V HA -0.057 4.063 4.120 0.000 0.000 0.245 376 V C 0.983 177.008 176.094 -0.115 0.000 1.041 376 V CA 1.329 63.488 62.300 -0.234 0.000 1.040 376 V CB -0.220 31.503 31.823 -0.166 0.000 0.671 376 V HN 0.926 nan 8.190 nan 0.000 0.455 377 S N -1.220 114.432 115.700 -0.079 0.000 2.588 377 S HA 0.724 5.194 4.470 0.000 0.000 0.269 377 S C -1.683 172.921 174.600 0.006 0.000 1.157 377 S CA -0.745 57.444 58.200 -0.017 0.000 0.824 377 S CB 2.376 65.581 63.200 0.008 0.000 1.126 377 S HN -0.043 nan 8.310 nan 0.000 0.464 378 L N 1.712 122.960 121.223 0.043 0.000 2.422 378 L HA 0.762 5.102 4.340 0.000 0.000 0.264 378 L C -1.339 175.591 176.870 0.100 0.000 0.984 378 L CA -0.128 54.761 54.840 0.082 0.000 0.819 378 L CB 1.881 43.985 42.059 0.075 0.000 1.330 378 L HN 0.998 nan 8.230 nan 0.000 0.410 379 D N 1.403 121.875 120.400 0.119 0.000 2.757 379 D HA 0.369 5.009 4.640 0.000 0.000 0.249 379 D C -0.298 176.178 176.300 0.293 0.000 1.168 379 D CA -0.244 53.846 54.000 0.151 0.000 0.870 379 D CB 1.433 42.263 40.800 0.048 0.000 1.411 379 D HN 0.526 nan 8.370 nan 0.000 0.525 380 N N 1.394 120.274 118.700 0.300 0.000 2.351 380 N HA -0.023 4.717 4.740 0.000 0.000 0.254 380 N C 0.603 176.259 175.510 0.244 0.000 1.241 380 N CA -0.224 53.020 53.050 0.322 0.000 0.883 380 N CB 0.064 38.682 38.487 0.218 0.000 1.202 380 N HN 0.162 nan 8.380 nan 0.000 0.512 381 S N -0.731 115.131 115.700 0.270 0.000 2.447 381 S HA -0.073 4.397 4.470 0.000 0.000 0.233 381 S C 0.793 175.350 174.600 -0.072 0.000 1.006 381 S CA 0.407 58.677 58.200 0.117 0.000 0.957 381 S CB -0.008 63.280 63.200 0.147 0.000 0.773 381 S HN 0.375 nan 8.310 nan 0.000 0.507 382 K N 1.787 122.009 120.400 -0.296 0.000 2.211 382 K HA 0.574 4.894 4.320 0.000 0.000 0.275 382 K C -0.324 176.127 176.600 -0.249 0.000 1.024 382 K CA -0.501 55.455 56.287 -0.550 0.000 0.887 382 K CB 1.034 32.661 32.500 -1.454 0.000 1.084 382 K HN 0.250 nan 8.250 nan 0.000 0.463 383 A N 4.453 127.177 122.820 -0.160 0.000 2.572 383 A HA -0.069 4.251 4.320 0.000 0.000 0.256 383 A C 0.290 177.854 177.584 -0.034 0.000 1.041 383 A CA 0.506 52.503 52.037 -0.066 0.000 0.790 383 A CB -0.087 18.879 19.000 -0.056 0.000 0.947 383 A HN 0.999 nan 8.150 nan 0.000 0.518 384 Q N -0.484 119.332 119.800 0.027 0.000 2.362 384 Q HA -0.190 4.150 4.340 0.000 0.000 0.220 384 Q C -0.151 175.917 176.000 0.114 0.000 0.713 384 Q CA 2.230 58.073 55.803 0.067 0.000 1.345 384 Q CB -2.159 26.603 28.738 0.040 0.000 1.570 384 Q HN 0.993 nan 8.270 nan 0.000 0.701 385 E N -0.525 119.748 120.200 0.121 0.000 2.378 385 E HA 0.749 5.099 4.350 0.000 0.000 0.265 385 E C -0.619 176.251 176.600 0.450 0.000 0.932 385 E CA -0.966 55.562 56.400 0.214 0.000 0.795 385 E CB 1.720 31.495 29.700 0.125 0.000 1.296 385 E HN 0.172 nan 8.360 nan 0.000 0.438 386 Y N -2.221 118.296 120.300 0.362 0.000 2.521 386 Y HA 0.582 5.132 4.550 0.000 0.000 0.332 386 Y C -1.181 174.728 175.900 0.014 0.000 1.121 386 Y CA -0.983 57.268 58.100 0.251 0.000 1.037 386 Y CB 1.462 39.988 38.460 0.111 0.000 1.330 386 Y HN 0.337 nan 8.280 nan 0.000 0.452 387 S N 2.430 118.027 115.700 -0.171 0.000 2.473 387 S HA 0.825 5.295 4.470 0.000 0.000 0.307 387 S C -0.977 173.606 174.600 -0.030 0.000 1.094 387 S CA -0.081 57.911 58.200 -0.347 0.000 1.070 387 S CB 0.703 63.449 63.200 -0.757 0.000 1.019 387 S HN 1.225 nan 8.310 nan 0.000 0.480 388 S N 4.657 120.393 115.700 0.059 0.000 2.542 388 S HA 0.773 5.243 4.470 0.000 0.000 0.293 388 S C -0.841 173.827 174.600 0.114 0.000 1.089 388 S CA -0.822 57.459 58.200 0.135 0.000 0.961 388 S CB 1.018 64.388 63.200 0.285 0.000 1.062 388 S HN 0.672 nan 8.310 nan 0.000 0.483 389 I N 1.744 122.315 120.570 0.002 0.000 2.509 389 I HA 0.640 4.810 4.170 0.000 0.000 0.293 389 I C -0.174 175.844 176.117 -0.166 0.000 1.020 389 I CA -0.464 60.855 61.300 0.031 0.000 1.088 389 I CB 2.222 40.254 38.000 0.054 0.000 1.267 389 I HN 0.783 nan 8.210 nan 0.000 0.430 390 S N 3.658 119.291 115.700 -0.111 0.000 2.627 390 S HA 0.406 4.876 4.470 0.000 0.000 0.283 390 S C -0.463 174.224 174.600 0.146 0.000 1.127 390 S CA -0.502 57.610 58.200 -0.146 0.000 0.863 390 S CB 1.271 64.243 63.200 -0.380 0.000 1.121 390 S HN 0.583 nan 8.310 nan 0.000 0.479 391 W N 1.995 123.269 121.300 -0.044 0.000 3.096 391 W HA 0.141 4.801 4.660 0.000 0.000 0.241 391 W C 0.907 177.449 176.519 0.038 0.000 1.316 391 W CA 0.206 57.541 57.345 -0.016 0.000 1.520 391 W CB -0.909 28.545 29.460 -0.011 0.000 1.128 391 W HN 0.822 nan 8.180 nan 0.000 0.707 392 D N -1.491 119.080 120.400 0.284 0.000 2.325 392 D HA -0.064 4.576 4.640 0.000 0.000 0.225 392 D C 0.087 176.529 176.300 0.235 0.000 1.096 392 D CA 0.267 54.408 54.000 0.236 0.000 0.844 392 D CB -0.476 40.472 40.800 0.247 0.000 0.925 392 D HN -0.085 nan 8.370 nan 0.000 0.513 393 D N -0.250 120.311 120.400 0.268 0.000 2.870 393 D HA -0.148 4.492 4.640 0.000 0.000 0.228 393 D C -0.352 176.255 176.300 0.512 0.000 1.147 393 D CA 1.489 55.703 54.000 0.357 0.000 0.757 393 D CB -2.014 38.933 40.800 0.244 0.000 1.091 393 D HN 0.599 nan 8.370 nan 0.000 0.429 394 T N -2.594 112.271 114.554 0.518 0.000 2.896 394 T HA 0.704 5.054 4.350 0.000 0.000 0.297 394 T C -0.401 174.621 174.700 0.537 0.000 1.108 394 T CA -1.070 61.286 62.100 0.427 0.000 1.004 394 T CB 2.997 72.020 68.868 0.258 0.000 1.159 394 T HN 0.171 nan 8.240 nan 0.000 0.499 395 L N 1.023 122.453 121.223 0.344 0.000 2.356 395 L HA 0.739 5.079 4.340 0.000 0.000 0.277 395 L C -0.965 175.995 176.870 0.150 0.000 0.996 395 L CA -0.712 54.303 54.840 0.293 0.000 0.822 395 L CB 1.393 43.555 42.059 0.173 0.000 1.256 395 L HN 0.738 nan 8.230 nan 0.000 0.413 396 K N 4.096 124.583 120.400 0.146 0.000 2.316 396 K HA 0.612 4.932 4.320 0.000 0.000 0.251 396 K C -1.441 175.085 176.600 -0.122 0.000 0.934 396 K CA -0.808 55.471 56.287 -0.014 0.000 0.802 396 K CB 2.764 35.196 32.500 -0.114 0.000 1.171 396 K HN 0.360 nan 8.250 nan 0.000 0.426 397 V N 4.179 123.986 119.914 -0.178 0.000 2.334 397 V HA 0.142 4.262 4.120 0.000 0.000 0.281 397 V C -0.175 175.731 176.094 -0.313 0.000 1.016 397 V CA -0.883 61.264 62.300 -0.255 0.000 0.832 397 V CB 0.908 32.651 31.823 -0.133 0.000 0.999 397 V HN 0.879 nan 8.190 nan 0.000 0.439 398 N N 4.206 122.524 118.700 -0.636 0.000 2.740 398 N HA -0.212 4.528 4.740 0.000 0.000 0.248 398 N C 1.132 176.451 175.510 -0.318 0.000 1.062 398 N CA 1.285 53.968 53.050 -0.612 0.000 0.704 398 N CB -1.088 37.255 38.487 -0.239 0.000 0.968 398 N HN 1.509 nan 8.380 nan 0.000 0.547 399 G N -1.065 107.545 108.800 -0.318 0.000 2.159 399 G HA2 -0.306 3.654 3.960 0.000 0.000 0.256 399 G HA3 -0.306 3.654 3.960 0.000 0.000 0.256 399 G C 0.027 174.852 174.900 -0.126 0.000 0.977 399 G CA 0.476 45.488 45.100 -0.146 0.000 0.652 399 G HN 0.535 nan 8.290 nan 0.000 0.531 400 I N 1.427 121.916 120.570 -0.134 0.000 2.406 400 I HA 0.279 4.449 4.170 0.000 0.000 0.290 400 I C 0.462 176.526 176.117 -0.088 0.000 0.999 400 I CA -0.811 60.433 61.300 -0.093 0.000 1.124 400 I CB 1.887 39.846 38.000 -0.068 0.000 1.289 400 I HN -0.039 nan 8.210 nan 0.000 0.441 401 T N 6.550 121.061 114.554 -0.073 0.000 2.829 401 T HA 0.082 4.432 4.350 0.000 0.000 0.293 401 T C 0.975 175.649 174.700 -0.043 0.000 0.970 401 T CA -0.026 62.045 62.100 -0.049 0.000 1.168 401 T CB 0.458 69.302 68.868 -0.041 0.000 0.911 401 T HN 0.462 nan 8.240 nan 0.000 0.535 402 K N 1.744 122.126 120.400 -0.030 0.000 2.402 402 K HA 0.112 4.432 4.320 0.000 0.000 0.203 402 K C 0.181 176.781 176.600 0.001 0.000 1.077 402 K CA -0.003 56.270 56.287 -0.024 0.000 1.051 402 K CB 0.589 33.073 32.500 -0.026 0.000 0.907 402 K HN 0.701 nan 8.250 nan 0.000 0.554 403 H N 0.495 119.475 119.070 -0.150 0.000 3.129 403 H HA 0.231 4.787 4.556 0.000 0.000 0.342 403 H C -1.516 173.623 175.328 -0.316 0.000 1.092 403 H CA -0.123 55.767 56.048 -0.262 0.000 1.310 403 H CB 1.314 30.841 29.762 -0.391 0.000 1.932 403 H HN -0.066 nan 8.280 nan 0.000 0.507 404 E N 4.898 124.586 120.200 -0.853 0.000 2.133 404 E HA 0.204 4.554 4.350 0.000 0.000 0.274 404 E C -0.675 175.564 176.600 -0.601 0.000 0.930 404 E CA -0.785 55.332 56.400 -0.472 0.000 0.770 404 E CB 1.649 31.198 29.700 -0.253 0.000 1.104 404 E HN 0.224 nan 8.360 nan 0.000 0.403 405 F N 0.997 120.945 119.950 -0.003 0.000 2.467 405 F HA 0.165 4.692 4.527 0.000 0.000 0.362 405 F C 1.663 177.492 175.800 0.049 0.000 1.090 405 F CA -0.081 58.002 58.000 0.139 0.000 1.202 405 F CB 1.053 40.159 39.000 0.177 0.000 1.113 405 F HN 0.684 nan 8.300 nan 0.000 0.541 406 G N 1.363 110.296 108.800 0.223 0.000 2.484 406 G HA2 -0.055 3.905 3.960 0.000 0.000 0.218 406 G HA3 -0.055 3.905 3.960 0.000 0.000 0.218 406 G C 0.355 175.327 174.900 0.121 0.000 1.130 406 G CA 0.454 45.626 45.100 0.121 0.000 0.784 406 G HN 0.515 nan 8.290 nan 0.000 0.543 407 S N -1.070 114.732 115.700 0.171 0.000 2.541 407 S HA 0.431 4.902 4.470 0.000 0.000 0.280 407 S C -0.605 174.031 174.600 0.061 0.000 1.112 407 S CA -0.661 57.590 58.200 0.085 0.000 0.925 407 S CB 1.641 64.874 63.200 0.054 0.000 1.067 407 S HN 0.279 nan 8.310 nan 0.000 0.479 408 Q N 4.069 123.855 119.800 -0.024 0.000 2.274 408 Q HA 0.197 4.537 4.340 0.000 0.000 0.280 408 Q C -2.189 173.709 176.000 -0.170 0.000 1.047 408 Q CA -1.374 54.368 55.803 -0.101 0.000 0.907 408 Q CB 0.557 29.179 28.738 -0.193 0.000 1.171 408 Q HN 0.365 nan 8.270 nan 0.000 0.381 409 P HA 0.054 nan 4.420 nan 0.000 0.281 409 P C -0.890 176.411 177.300 0.003 0.000 1.286 409 P CA 0.081 63.011 63.100 -0.282 0.000 0.772 409 P CB 1.139 32.444 31.700 -0.659 0.000 0.862 410 K N 2.104 122.514 120.400 0.016 0.000 2.021 410 K HA 0.063 4.383 4.320 0.000 0.000 0.205 410 K C 1.081 177.823 176.600 0.237 0.000 1.047 410 K CA 1.265 57.648 56.287 0.160 0.000 0.943 410 K CB -0.106 32.423 32.500 0.049 0.000 0.725 410 K HN 0.456 nan 8.250 nan 0.000 0.439 411 V N -3.565 116.399 119.914 0.083 0.000 3.181 411 V HA 0.884 5.004 4.120 0.000 0.000 0.308 411 V C -1.593 174.498 176.094 -0.006 0.000 1.214 411 V CA -1.136 61.192 62.300 0.047 0.000 1.053 411 V CB 1.853 33.702 31.823 0.044 0.000 1.069 411 V HN 0.110 nan 8.190 nan 0.000 0.441 412 A N 0.807 123.623 122.820 -0.007 0.000 2.608 412 A HA 0.944 5.264 4.320 0.000 0.000 0.292 412 A C -0.746 176.843 177.584 0.010 0.000 1.066 412 A CA 0.069 52.100 52.037 -0.009 0.000 0.676 412 A CB 1.546 20.537 19.000 -0.016 0.000 1.277 412 A HN 2.225 nan 8.150 nan 0.000 0.413 413 S N -0.354 115.358 115.700 0.021 0.000 2.546 413 S HA 0.772 5.242 4.470 0.000 0.000 0.272 413 S C -0.754 173.888 174.600 0.070 0.000 1.140 413 S CA 0.266 58.492 58.200 0.044 0.000 0.920 413 S CB 1.390 64.602 63.200 0.020 0.000 1.083 413 S HN 2.294 nan 8.310 nan 0.000 0.476 414 A N 3.693 126.569 122.820 0.094 0.000 2.350 414 A HA 0.757 5.077 4.320 0.000 0.000 0.324 414 A C 0.213 177.879 177.584 0.138 0.000 1.118 414 A CA -0.848 51.259 52.037 0.117 0.000 0.783 414 A CB 0.836 19.901 19.000 0.108 0.000 1.236 414 A HN 0.955 nan 8.150 nan 0.000 0.457 415 N N 1.221 120.018 118.700 0.162 0.000 2.607 415 N HA 0.207 4.947 4.740 0.000 0.000 0.284 415 N C 0.002 175.604 175.510 0.154 0.000 1.365 415 N CA -0.143 53.003 53.050 0.159 0.000 0.862 415 N CB 0.130 38.722 38.487 0.174 0.000 1.107 415 N HN 0.417 nan 8.380 nan 0.000 0.463 416 N N -1.323 117.463 118.700 0.143 0.000 2.159 416 N HA 0.134 4.874 4.740 0.000 0.000 0.217 416 N C -0.773 174.791 175.510 0.091 0.000 1.223 416 N CA 0.030 53.149 53.050 0.117 0.000 0.896 416 N CB 0.501 39.047 38.487 0.099 0.000 1.064 416 N HN 0.439 nan 8.380 nan 0.000 0.518 417 D N -0.024 120.444 120.400 0.113 0.000 2.363 417 D HA 0.206 4.846 4.640 0.000 0.000 0.214 417 D C 1.015 177.203 176.300 -0.186 0.000 1.093 417 D CA 0.106 54.136 54.000 0.050 0.000 0.837 417 D CB 0.341 41.272 40.800 0.218 0.000 0.948 417 D HN 0.236 nan 8.370 nan 0.000 0.507 418 G N 0.646 109.386 108.800 -0.099 0.000 2.165 418 G HA2 -0.241 3.719 3.960 0.000 0.000 0.226 418 G HA3 -0.241 3.719 3.960 0.000 0.000 0.226 418 G C -0.175 174.476 174.900 -0.415 0.000 1.035 418 G CA -0.477 44.531 45.100 -0.153 0.000 0.744 418 G HN 0.285 nan 8.290 nan 0.000 0.501 419 F N -0.435 119.579 119.950 0.108 0.000 2.577 419 F HA 0.761 5.288 4.527 0.000 0.000 0.318 419 F C 0.393 176.218 175.800 0.041 0.000 1.065 419 F CA -0.806 57.228 58.000 0.057 0.000 0.929 419 F CB 2.679 41.701 39.000 0.038 0.000 1.237 419 F HN 0.018 nan 8.300 nan 0.000 0.468 420 T N 1.562 116.254 114.554 0.231 0.000 2.971 420 T HA 0.654 5.004 4.350 0.000 0.000 0.304 420 T C -1.004 173.748 174.700 0.087 0.000 1.038 420 T CA -0.692 61.482 62.100 0.123 0.000 1.007 420 T CB 1.629 70.540 68.868 0.071 0.000 1.055 420 T HN 0.713 nan 8.240 nan 0.000 0.451 421 A N 2.922 125.774 122.820 0.054 0.000 2.290 421 A HA 0.811 5.131 4.320 0.000 0.000 0.310 421 A C -0.353 177.230 177.584 -0.001 0.000 1.202 421 A CA -0.507 51.535 52.037 0.008 0.000 0.837 421 A CB 0.495 19.489 19.000 -0.011 0.000 1.139 421 A HN 0.680 nan 8.150 nan 0.000 0.509 422 V N 3.168 123.075 119.914 -0.013 0.000 2.769 422 V HA 0.499 4.619 4.120 0.000 0.000 0.312 422 V C -0.387 175.676 176.094 -0.052 0.000 1.061 422 V CA -0.506 61.773 62.300 -0.034 0.000 0.931 422 V CB 1.830 33.636 31.823 -0.028 0.000 1.010 422 V HN 0.775 nan 8.190 nan 0.000 0.433 423 L N 3.624 124.811 121.223 -0.060 0.000 2.349 423 L HA 0.608 4.948 4.340 0.000 0.000 0.278 423 L C 0.365 177.198 176.870 -0.062 0.000 0.996 423 L CA -0.309 54.500 54.840 -0.051 0.000 0.825 423 L CB 2.133 44.172 42.059 -0.032 0.000 1.243 423 L HN 0.877 nan 8.230 nan 0.000 0.412 424 T N -1.851 112.671 114.554 -0.054 0.000 2.897 424 T HA 0.238 4.588 4.350 0.000 0.000 0.278 424 T C 0.795 175.464 174.700 -0.051 0.000 0.981 424 T CA -0.681 61.383 62.100 -0.060 0.000 0.973 424 T CB 1.284 70.141 68.868 -0.018 0.000 1.092 424 T HN 0.384 nan 8.240 nan 0.000 0.543 425 N N 0.247 118.908 118.700 -0.064 0.000 2.520 425 N HA 0.019 4.759 4.740 0.000 0.000 0.185 425 N C 0.506 175.991 175.510 -0.041 0.000 1.068 425 N CA 0.510 53.520 53.050 -0.068 0.000 0.911 425 N CB -0.216 38.214 38.487 -0.095 0.000 0.961 425 N HN 0.556 nan 8.380 nan 0.000 0.446 426 D N 0.080 120.466 120.400 -0.024 0.000 2.340 426 D HA 0.047 4.687 4.640 0.000 0.000 0.217 426 D C -0.428 175.865 176.300 -0.011 0.000 1.081 426 D CA 0.105 54.097 54.000 -0.012 0.000 0.842 426 D CB 0.191 40.992 40.800 0.001 0.000 0.934 426 D HN 0.045 nan 8.370 nan 0.000 0.511 427 D N 0.646 121.036 120.400 -0.016 0.000 2.947 427 D HA -0.141 4.499 4.640 0.000 0.000 0.224 427 D C -0.615 175.674 176.300 -0.019 0.000 1.132 427 D CA 0.739 54.730 54.000 -0.015 0.000 0.801 427 D CB -1.096 39.700 40.800 -0.007 0.000 1.097 427 D HN 0.286 nan 8.370 nan 0.000 0.431 428 D N 0.465 120.852 120.400 -0.021 0.000 2.193 428 D HA 0.398 5.038 4.640 0.000 0.000 0.249 428 D C 0.424 176.689 176.300 -0.058 0.000 1.034 428 D CA -0.413 53.568 54.000 -0.032 0.000 0.902 428 D CB 1.670 42.465 40.800 -0.008 0.000 1.182 428 D HN 0.062 nan 8.370 nan 0.000 0.436 429 L N 3.418 124.576 121.223 -0.108 0.000 2.280 429 L HA 0.394 4.734 4.340 0.000 0.000 0.287 429 L C -1.202 175.591 176.870 -0.128 0.000 1.023 429 L CA -0.488 54.257 54.840 -0.158 0.000 0.819 429 L CB 0.383 42.245 42.059 -0.328 0.000 1.212 429 L HN 0.195 nan 8.230 nan 0.000 0.420 430 L N 5.943 127.123 121.223 -0.073 0.000 2.334 430 L HA 0.555 4.895 4.340 0.000 0.000 0.276 430 L C -0.498 176.347 176.870 -0.041 0.000 1.014 430 L CA -0.637 54.180 54.840 -0.038 0.000 0.815 430 L CB 2.429 44.509 42.059 0.035 0.000 1.268 430 L HN 0.541 nan 8.230 nan 0.000 0.428 431 I N 3.654 124.197 120.570 -0.046 0.000 2.382 431 I HA 0.378 4.548 4.170 0.000 0.000 0.286 431 I C -0.875 175.252 176.117 0.017 0.000 1.002 431 I CA -0.382 60.901 61.300 -0.028 0.000 1.135 431 I CB 1.746 39.691 38.000 -0.092 0.000 1.288 431 I HN 0.339 nan 8.210 nan 0.000 0.448 432 L N 5.761 127.023 121.223 0.066 0.000 2.333 432 L HA 0.415 4.755 4.340 0.000 0.000 0.269 432 L C 0.026 176.998 176.870 0.169 0.000 1.010 432 L CA -0.421 54.454 54.840 0.059 0.000 0.818 432 L CB 1.512 43.550 42.059 -0.035 0.000 1.306 432 L HN 0.453 nan 8.230 nan 0.000 0.430 433 Q N 0.634 120.510 119.800 0.128 0.000 2.324 433 Q HA 0.135 4.475 4.340 0.000 0.000 0.257 433 Q C 0.817 176.809 176.000 -0.012 0.000 1.080 433 Q CA -0.117 55.736 55.803 0.083 0.000 0.907 433 Q CB 0.864 29.639 28.738 0.061 0.000 1.274 433 Q HN 0.787 nan 8.270 nan 0.000 0.434 434 S N 2.368 118.037 115.700 -0.052 0.000 2.372 434 S HA -0.191 4.279 4.470 0.000 0.000 0.227 434 S C 0.796 175.126 174.600 -0.450 0.000 1.044 434 S CA 1.531 59.591 58.200 -0.233 0.000 1.050 434 S CB -0.071 62.965 63.200 -0.273 0.000 0.901 434 S HN 0.563 nan 8.310 nan 0.000 0.447 435 F N 1.086 120.994 119.950 -0.070 0.000 2.660 435 F HA 0.201 4.728 4.527 0.000 0.000 0.302 435 F C 2.081 177.847 175.800 -0.057 0.000 1.103 435 F CA 0.461 58.422 58.000 -0.066 0.000 1.340 435 F CB -0.138 38.816 39.000 -0.076 0.000 1.048 435 F HN 0.311 nan 8.300 nan 0.000 0.551 436 T N -5.652 108.924 114.554 0.036 0.000 3.010 436 T HA 0.411 4.761 4.350 0.000 0.000 0.252 436 T C 1.782 176.480 174.700 -0.004 0.000 0.963 436 T CA 0.620 62.734 62.100 0.024 0.000 0.952 436 T CB 0.484 69.370 68.868 0.030 0.000 1.182 436 T HN 0.225 nan 8.240 nan 0.000 0.495 437 G N 1.773 110.556 108.800 -0.028 0.000 2.175 437 G HA2 -0.173 3.787 3.960 0.000 0.000 0.244 437 G HA3 -0.173 3.787 3.960 0.000 0.000 0.244 437 G C -0.411 174.468 174.900 -0.036 0.000 0.982 437 G CA 0.053 45.131 45.100 -0.037 0.000 0.641 437 G HN 0.611 nan 8.290 nan 0.000 0.527 438 D N 0.638 121.035 120.400 -0.006 0.000 2.390 438 D HA 0.348 4.988 4.640 0.000 0.000 0.249 438 D C 1.040 177.327 176.300 -0.021 0.000 1.144 438 D CA 0.078 54.084 54.000 0.009 0.000 0.880 438 D CB 0.905 41.722 40.800 0.030 0.000 1.182 438 D HN 0.333 nan 8.370 nan 0.000 0.451 439 I N 3.473 124.020 120.570 -0.038 0.000 2.363 439 I HA 0.041 4.211 4.170 0.000 0.000 0.292 439 I C 1.733 177.849 176.117 -0.001 0.000 1.075 439 I CA -0.254 61.017 61.300 -0.050 0.000 1.333 439 I CB 0.783 38.753 38.000 -0.051 0.000 1.415 439 I HN 0.306 nan 8.210 nan 0.000 0.502 440 I N 6.108 126.686 120.570 0.014 0.000 2.406 440 I HA -0.085 4.085 4.170 0.000 0.000 0.249 440 I C 0.999 177.106 176.117 -0.017 0.000 1.122 440 I CA 1.066 62.376 61.300 0.017 0.000 1.431 440 I CB -0.075 37.952 38.000 0.045 0.000 1.087 440 I HN 0.639 nan 8.210 nan 0.000 0.424 441 K N 0.400 120.777 120.400 -0.037 0.000 2.607 441 K HA 0.523 4.843 4.320 0.000 0.000 0.287 441 K C -1.228 175.334 176.600 -0.064 0.000 0.996 441 K CA -0.640 55.617 56.287 -0.051 0.000 0.876 441 K CB 2.226 34.683 32.500 -0.072 0.000 1.496 441 K HN -0.005 nan 8.250 nan 0.000 0.415 442 S N -0.741 114.919 115.700 -0.067 0.000 2.587 442 S HA 0.695 5.165 4.470 0.000 0.000 0.269 442 S C -1.543 173.004 174.600 -0.088 0.000 1.154 442 S CA -0.648 57.503 58.200 -0.082 0.000 0.824 442 S CB 1.824 64.998 63.200 -0.044 0.000 1.118 442 S HN 0.943 nan 8.310 nan 0.000 0.462 443 V N 0.502 120.347 119.914 -0.116 0.000 3.000 443 V HA 0.786 4.906 4.120 0.000 0.000 0.300 443 V C -1.519 174.525 176.094 -0.083 0.000 1.251 443 V CA -0.652 61.590 62.300 -0.096 0.000 0.972 443 V CB 2.252 33.994 31.823 -0.135 0.000 1.065 443 V HN 1.202 nan 8.190 nan 0.000 0.431 444 R N 5.077 125.557 120.500 -0.033 0.000 2.265 444 R HA 0.571 4.911 4.340 0.000 0.000 0.314 444 R C -0.743 175.560 176.300 0.005 0.000 1.053 444 R CA -0.194 55.896 56.100 -0.016 0.000 0.931 444 R CB 0.244 30.544 30.300 -0.000 0.000 1.024 444 R HN 0.767 nan 8.270 nan 0.000 0.457 445 L N 3.576 124.801 121.223 0.004 0.000 2.464 445 L HA 0.150 4.490 4.340 0.000 0.000 0.264 445 L C 1.340 178.237 176.870 0.045 0.000 1.199 445 L CA -0.146 54.721 54.840 0.046 0.000 0.818 445 L CB 0.428 42.508 42.059 0.036 0.000 1.102 445 L HN 0.757 nan 8.230 nan 0.000 0.473 446 N N -0.608 118.127 118.700 0.059 0.000 2.331 446 N HA -0.100 4.640 4.740 0.000 0.000 0.180 446 N C 0.053 175.578 175.510 0.024 0.000 1.019 446 N CA 0.817 53.889 53.050 0.037 0.000 0.881 446 N CB 0.384 38.891 38.487 0.034 0.000 0.972 446 N HN 0.726 nan 8.380 nan 0.000 0.435 447 S N -2.334 113.380 115.700 0.024 0.000 2.688 447 S HA 0.575 5.045 4.470 0.000 0.000 0.275 447 S C -3.031 171.577 174.600 0.013 0.000 1.175 447 S CA -1.398 56.811 58.200 0.015 0.000 0.818 447 S CB 1.437 64.645 63.200 0.013 0.000 1.157 447 S HN -0.198 nan 8.310 nan 0.000 0.482 448 P HA 0.383 nan 4.420 nan 0.000 0.268 448 P C -0.263 177.042 177.300 0.008 0.000 1.205 448 P CA 0.236 63.337 63.100 0.002 0.000 0.771 448 P CB 0.281 31.979 31.700 -0.003 0.000 0.858 449 G N 0.373 109.176 108.800 0.005 0.000 2.388 449 G HA2 0.426 4.386 3.960 0.000 0.000 0.330 449 G HA3 0.426 4.386 3.960 0.000 0.000 0.330 449 G C 0.431 175.337 174.900 0.011 0.000 1.142 449 G CA -0.462 44.645 45.100 0.010 0.000 0.908 449 G HN 0.450 nan 8.290 nan 0.000 0.473 450 S N -0.353 115.357 115.700 0.017 0.000 2.603 450 S HA 0.647 5.117 4.470 0.000 0.000 0.232 450 S C 0.516 175.132 174.600 0.026 0.000 1.016 450 S CA 0.396 58.613 58.200 0.027 0.000 0.976 450 S CB 0.499 63.720 63.200 0.034 0.000 0.921 450 S HN 1.691 nan 8.310 nan 0.000 0.516 451 A N 0.830 123.652 122.820 0.003 0.000 2.582 451 A HA 0.669 4.989 4.320 0.000 0.000 0.297 451 A C -1.105 176.446 177.584 -0.055 0.000 1.059 451 A CA -0.545 51.472 52.037 -0.033 0.000 0.705 451 A CB 1.174 20.153 19.000 -0.036 0.000 1.279 451 A HN 1.088 nan 8.150 nan 0.000 0.404 452 V N -1.202 118.655 119.914 -0.095 0.000 2.971 452 V HA 0.957 5.077 4.120 0.000 0.000 0.309 452 V C -0.268 175.761 176.094 -0.109 0.000 1.130 452 V CA -0.438 61.818 62.300 -0.073 0.000 0.964 452 V CB 1.513 33.312 31.823 -0.041 0.000 1.029 452 V HN 1.578 nan 8.190 nan 0.000 0.427 453 S N 2.951 118.618 115.700 -0.055 0.000 2.614 453 S HA 0.777 5.247 4.470 0.000 0.000 0.288 453 S C -1.444 173.176 174.600 0.034 0.000 1.137 453 S CA -0.487 57.696 58.200 -0.027 0.000 0.992 453 S CB 1.429 64.621 63.200 -0.014 0.000 1.026 453 S HN 1.182 nan 8.310 nan 0.000 0.486 454 L N 5.506 126.763 121.223 0.057 0.000 2.319 454 L HA 0.730 5.070 4.340 0.000 0.000 0.281 454 L C 0.149 177.081 176.870 0.104 0.000 1.005 454 L CA 0.129 55.017 54.840 0.080 0.000 0.828 454 L CB 1.373 43.479 42.059 0.078 0.000 1.227 454 L HN 0.808 nan 8.230 nan 0.000 0.415 455 S N 2.865 118.635 115.700 0.116 0.000 2.713 455 S HA 0.337 4.807 4.470 0.000 0.000 0.296 455 S C 0.833 175.497 174.600 0.107 0.000 1.114 455 S CA 0.040 58.311 58.200 0.119 0.000 0.997 455 S CB 0.650 63.935 63.200 0.142 0.000 1.249 455 S HN 0.726 nan 8.310 nan 0.000 0.534 456 Q N 0.613 120.471 119.800 0.096 0.000 2.050 456 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 456 Q C 0.830 176.835 176.000 0.008 0.000 0.980 456 Q CA 2.219 58.066 55.803 0.072 0.000 0.840 456 Q CB -0.343 28.433 28.738 0.062 0.000 0.898 456 Q HN 0.838 nan 8.270 nan 0.000 0.424 457 N N -2.049 116.633 118.700 -0.030 0.000 2.171 457 N HA 0.161 4.901 4.740 0.000 0.000 0.212 457 N C -1.101 174.140 175.510 -0.448 0.000 1.184 457 N CA -0.116 52.777 53.050 -0.261 0.000 0.888 457 N CB 0.841 39.086 38.487 -0.402 0.000 1.038 457 N HN 0.103 nan 8.380 nan 0.000 0.517 458 Y N -0.532 119.782 120.300 0.023 0.000 2.605 458 Y HA 0.632 5.182 4.550 0.000 0.000 0.343 458 Y C -0.547 175.368 175.900 0.026 0.000 1.036 458 Y CA -1.276 56.842 58.100 0.031 0.000 1.065 458 Y CB 1.718 40.199 38.460 0.035 0.000 1.288 458 Y HN -0.377 nan 8.280 nan 0.000 0.481 459 V N 1.753 121.809 119.914 0.236 0.000 2.409 459 V HA 0.695 4.815 4.120 0.000 0.000 0.290 459 V C -0.528 175.667 176.094 0.168 0.000 1.017 459 V CA -0.996 61.398 62.300 0.157 0.000 0.841 459 V CB 1.076 32.961 31.823 0.102 0.000 1.003 459 V HN 0.844 nan 8.190 nan 0.000 0.426 460 A N 5.015 127.880 122.820 0.075 0.000 2.260 460 A HA 0.832 5.152 4.320 0.000 0.000 0.308 460 A C -0.485 177.110 177.584 0.018 0.000 1.254 460 A CA -0.407 51.631 52.037 0.003 0.000 0.874 460 A CB 0.932 19.909 19.000 -0.039 0.000 1.153 460 A HN 0.706 nan 8.150 nan 0.000 0.527 461 V N 2.028 121.964 119.914 0.037 0.000 2.604 461 V HA 0.673 4.793 4.120 0.000 0.000 0.305 461 V C 0.767 176.862 176.094 0.001 0.000 1.043 461 V CA -0.329 61.999 62.300 0.047 0.000 0.888 461 V CB 2.001 33.914 31.823 0.151 0.000 0.995 461 V HN 1.082 nan 8.190 nan 0.000 0.429 462 G N 4.489 113.288 108.800 -0.002 0.000 2.329 462 G HA2 0.608 4.568 3.960 0.000 0.000 0.309 462 G HA3 0.608 4.568 3.960 0.000 0.000 0.309 462 G C -0.681 174.225 174.900 0.011 0.000 1.110 462 G CA -0.438 44.661 45.100 -0.002 0.000 0.923 462 G HN 0.592 nan 8.290 nan 0.000 0.430 463 L N 2.283 123.510 121.223 0.007 0.000 2.292 463 L HA 0.287 4.627 4.340 0.000 0.000 0.284 463 L C 1.238 178.117 176.870 0.015 0.000 1.065 463 L CA -0.473 54.376 54.840 0.014 0.000 0.806 463 L CB 1.909 43.975 42.059 0.011 0.000 1.175 463 L HN 0.636 nan 8.230 nan 0.000 0.431 464 E N 1.258 121.468 120.200 0.016 0.000 2.274 464 E HA -0.187 4.163 4.350 0.000 0.000 0.194 464 E C 1.488 178.096 176.600 0.014 0.000 0.996 464 E CA 0.556 56.966 56.400 0.017 0.000 0.840 464 E CB 0.303 30.012 29.700 0.014 0.000 0.772 464 E HN 0.694 nan 8.360 nan 0.000 0.491 465 E N 0.238 120.445 120.200 0.012 0.000 2.019 465 E HA -0.176 4.174 4.350 0.000 0.000 0.208 465 E C 1.436 178.043 176.600 0.011 0.000 1.030 465 E CA 1.549 57.955 56.400 0.010 0.000 0.856 465 E CB -0.154 29.551 29.700 0.008 0.000 0.781 465 E HN 0.237 nan 8.360 nan 0.000 0.471 466 G N -0.978 107.829 108.800 0.011 0.000 3.690 466 G HA2 0.052 4.012 3.960 0.000 0.000 0.283 466 G HA3 0.052 4.012 3.960 0.000 0.000 0.283 466 G C -0.413 174.499 174.900 0.020 0.000 1.057 466 G CA 0.011 45.120 45.100 0.014 0.000 0.821 466 G HN 0.326 nan 8.290 nan 0.000 0.526 467 N N 1.138 119.851 118.700 0.022 0.000 2.740 467 N HA -0.162 4.578 4.740 0.000 0.000 0.248 467 N C 0.633 176.160 175.510 0.028 0.000 1.062 467 N CA 1.509 54.577 53.050 0.030 0.000 0.704 467 N CB -1.874 36.639 38.487 0.043 0.000 0.968 467 N HN 0.693 nan 8.380 nan 0.000 0.547 468 T N -2.298 112.260 114.554 0.007 0.000 2.897 468 T HA 0.772 5.122 4.350 0.000 0.000 0.278 468 T C 0.621 175.291 174.700 -0.051 0.000 0.981 468 T CA -0.760 61.330 62.100 -0.016 0.000 0.973 468 T CB 2.004 70.856 68.868 -0.027 0.000 1.092 468 T HN 0.176 nan 8.240 nan 0.000 0.543 469 I N 1.158 121.658 120.570 -0.116 0.000 2.418 469 I HA 0.357 4.527 4.170 0.000 0.000 0.287 469 I C -0.246 175.728 176.117 -0.238 0.000 1.008 469 I CA -0.764 60.432 61.300 -0.173 0.000 1.104 469 I CB 1.977 39.815 38.000 -0.270 0.000 1.264 469 I HN 0.701 nan 8.210 nan 0.000 0.438 470 Q N 5.686 125.346 119.800 -0.234 0.000 2.282 470 Q HA 0.606 4.946 4.340 0.000 0.000 0.260 470 Q C -1.701 173.998 176.000 -0.501 0.000 0.964 470 Q CA -0.655 54.904 55.803 -0.406 0.000 0.880 470 Q CB 2.279 30.792 28.738 -0.374 0.000 1.286 470 Q HN 0.513 nan 8.270 nan 0.000 0.445 471 V N 5.184 124.597 119.914 -0.834 0.000 2.378 471 V HA 0.424 4.544 4.120 0.000 0.000 0.288 471 V C -0.760 174.944 176.094 -0.650 0.000 1.016 471 V CA -0.548 61.311 62.300 -0.735 0.000 0.840 471 V CB 0.508 31.662 31.823 -1.116 0.000 0.994 471 V HN 0.651 nan 8.190 nan 0.000 0.431 472 F N 2.358 122.220 119.950 -0.147 0.000 2.403 472 F HA 0.524 5.051 4.527 0.000 0.000 0.326 472 F C 0.751 176.579 175.800 0.046 0.000 1.081 472 F CA -0.837 57.135 58.000 -0.048 0.000 1.041 472 F CB 1.060 40.026 39.000 -0.056 0.000 1.234 472 F HN 0.241 nan 8.300 nan 0.000 0.503 473 K N 1.964 122.486 120.400 0.203 0.000 2.234 473 K HA 0.151 4.471 4.320 0.000 0.000 0.282 473 K C 0.778 177.366 176.600 -0.020 0.000 1.039 473 K CA -0.427 55.866 56.287 0.009 0.000 0.928 473 K CB 1.000 33.498 32.500 -0.003 0.000 1.039 473 K HN 0.569 nan 8.250 nan 0.000 0.470 474 L N 3.112 124.259 121.223 -0.126 0.000 2.201 474 L HA -0.129 4.211 4.340 0.000 0.000 0.212 474 L C 1.701 178.471 176.870 -0.167 0.000 1.105 474 L CA 2.098 56.852 54.840 -0.144 0.000 0.775 474 L CB -0.614 41.333 42.059 -0.186 0.000 0.913 474 L HN 0.695 nan 8.230 nan 0.000 0.440 475 S N -2.045 113.567 115.700 -0.146 0.000 2.527 475 S HA -0.021 4.449 4.470 0.000 0.000 0.222 475 S C 0.436 174.991 174.600 -0.074 0.000 0.985 475 S CA 0.026 58.154 58.200 -0.120 0.000 0.921 475 S CB 0.161 63.297 63.200 -0.107 0.000 0.772 475 S HN 0.498 nan 8.310 nan 0.000 0.529 476 D N 0.201 120.574 120.400 -0.044 0.000 2.312 476 D HA 0.207 4.847 4.640 0.000 0.000 0.229 476 D C 0.284 176.613 176.300 0.048 0.000 1.337 476 D CA -0.290 53.707 54.000 -0.005 0.000 0.964 476 D CB 0.306 41.108 40.800 0.004 0.000 1.456 476 D HN 0.138 nan 8.370 nan 0.000 0.547 477 L N 2.002 123.246 121.223 0.034 0.000 2.633 477 L HA 0.029 4.369 4.340 0.000 0.000 0.235 477 L C 1.643 178.628 176.870 0.193 0.000 1.163 477 L CA 0.726 55.624 54.840 0.096 0.000 0.859 477 L CB 0.007 42.017 42.059 -0.080 0.000 0.973 477 L HN 0.379 nan 8.230 nan 0.000 0.451 478 E N -0.633 119.638 120.200 0.119 0.000 2.385 478 E HA 0.038 4.388 4.350 0.000 0.000 0.194 478 E C 0.134 176.798 176.600 0.106 0.000 1.013 478 E CA 0.055 56.519 56.400 0.106 0.000 0.866 478 E CB 0.625 30.359 29.700 0.057 0.000 0.832 478 E HN 0.183 nan 8.360 nan 0.000 0.500 479 V N 1.917 121.900 119.914 0.115 0.000 2.350 479 V HA 0.256 4.376 4.120 0.000 0.000 0.276 479 V C -0.113 176.016 176.094 0.058 0.000 1.028 479 V CA -0.374 61.977 62.300 0.085 0.000 0.860 479 V CB 1.134 33.007 31.823 0.082 0.000 0.990 479 V HN 0.139 nan 8.190 nan 0.000 0.453 480 S N 5.189 120.863 115.700 -0.042 0.000 2.588 480 S HA 0.895 5.365 4.470 0.000 0.000 0.269 480 S C -1.102 173.433 174.600 -0.109 0.000 1.157 480 S CA -0.812 57.224 58.200 -0.274 0.000 0.824 480 S CB 2.271 64.959 63.200 -0.855 0.000 1.126 480 S HN 0.808 nan 8.310 nan 0.000 0.464 481 F N -0.799 119.015 119.950 -0.227 0.000 2.613 481 F HA 0.811 5.338 4.527 0.000 0.000 0.314 481 F C -1.274 174.410 175.800 -0.193 0.000 1.075 481 F CA -0.957 56.944 58.000 -0.164 0.000 0.945 481 F CB 1.063 39.997 39.000 -0.110 0.000 1.310 481 F HN 0.465 nan 8.300 nan 0.000 0.467 482 D N 2.768 123.188 120.400 0.033 0.000 2.192 482 D HA 0.377 5.017 4.640 0.000 0.000 0.246 482 D C -0.364 175.958 176.300 0.038 0.000 1.042 482 D CA -0.269 53.691 54.000 -0.066 0.000 0.847 482 D CB 2.681 43.448 40.800 -0.055 0.000 1.186 482 D HN 0.507 nan 8.370 nan 0.000 0.461 483 L N 2.423 123.602 121.223 -0.072 0.000 2.410 483 L HA 0.074 4.414 4.340 0.000 0.000 0.273 483 L C 1.903 178.789 176.870 0.027 0.000 1.152 483 L CA -0.213 54.594 54.840 -0.054 0.000 0.855 483 L CB 0.678 42.499 42.059 -0.397 0.000 1.129 483 L HN 0.239 nan 8.230 nan 0.000 0.463 484 K N 1.131 121.586 120.400 0.092 0.000 2.044 484 K HA -0.089 4.231 4.320 0.000 0.000 0.210 484 K C 0.461 177.123 176.600 0.103 0.000 1.049 484 K CA 1.189 57.527 56.287 0.084 0.000 0.927 484 K CB -0.200 32.347 32.500 0.077 0.000 0.713 484 K HN 0.588 nan 8.250 nan 0.000 0.443 485 T N 3.341 118.011 114.554 0.194 0.000 2.799 485 T HA 0.246 4.596 4.350 0.000 0.000 0.286 485 T C -2.305 172.541 174.700 0.243 0.000 0.973 485 T CA -1.481 60.731 62.100 0.186 0.000 1.035 485 T CB 1.920 70.873 68.868 0.142 0.000 0.932 485 T HN 0.066 nan 8.240 nan 0.000 0.469 486 P HA 0.503 nan 4.420 nan 0.000 0.286 486 P C -0.597 176.785 177.300 0.137 0.000 1.292 486 P CA -0.778 62.398 63.100 0.126 0.000 0.842 486 P CB 1.335 33.074 31.700 0.065 0.000 1.207 487 L N 0.734 122.032 121.223 0.125 0.000 2.454 487 L HA 0.347 4.687 4.340 0.000 0.000 0.256 487 L C 2.103 179.019 176.870 0.078 0.000 1.136 487 L CA -0.659 54.249 54.840 0.114 0.000 0.804 487 L CB 0.443 42.575 42.059 0.123 0.000 1.181 487 L HN 0.283 nan 8.230 nan 0.000 0.469 488 R N 0.416 120.962 120.500 0.076 0.000 2.310 488 R HA 0.312 4.652 4.340 0.000 0.000 0.202 488 R C -0.254 176.084 176.300 0.063 0.000 0.933 488 R CA 0.204 56.338 56.100 0.058 0.000 1.054 488 R CB 0.419 30.747 30.300 0.047 0.000 0.985 488 R HN 0.686 nan 8.270 nan 0.000 0.489 489 A N 0.573 123.438 122.820 0.075 0.000 2.581 489 A HA 0.306 4.626 4.320 0.000 0.000 0.290 489 A C -1.199 176.423 177.584 0.063 0.000 1.119 489 A CA -0.813 51.265 52.037 0.067 0.000 0.670 489 A CB 0.934 19.982 19.000 0.080 0.000 1.280 489 A HN 0.064 nan 8.150 nan 0.000 0.425 490 K N 0.651 121.082 120.400 0.052 0.000 2.504 490 K HA 0.160 4.480 4.320 0.000 0.000 0.278 490 K C -2.396 174.239 176.600 0.059 0.000 1.025 490 K CA -0.625 55.690 56.287 0.048 0.000 1.093 490 K CB -0.019 32.505 32.500 0.040 0.000 0.873 490 K HN 0.276 nan 8.250 nan 0.000 0.483 491 P HA -0.054 nan 4.420 nan 0.000 0.264 491 P C -0.377 176.968 177.300 0.075 0.000 1.193 491 P CA 0.112 63.254 63.100 0.070 0.000 0.763 491 P CB 1.137 32.867 31.700 0.051 0.000 0.810 492 S N 2.045 117.806 115.700 0.103 0.000 2.539 492 S HA 0.195 4.665 4.470 0.000 0.000 0.226 492 S C -0.187 174.536 174.600 0.206 0.000 1.054 492 S CA 0.145 58.419 58.200 0.123 0.000 0.910 492 S CB -0.076 63.186 63.200 0.103 0.000 0.818 492 S HN 0.445 nan 8.310 nan 0.000 0.490 493 Y N 0.038 120.374 120.300 0.060 0.000 2.480 493 Y HA 0.638 5.188 4.550 0.000 0.000 0.329 493 Y C -1.897 174.067 175.900 0.106 0.000 1.127 493 Y CA -1.213 56.931 58.100 0.073 0.000 1.037 493 Y CB 1.322 39.819 38.460 0.061 0.000 1.320 493 Y HN 0.157 nan 8.280 nan 0.000 0.446 494 I N 3.509 123.898 120.570 -0.301 0.000 2.730 494 I HA 0.577 4.747 4.170 0.000 0.000 0.298 494 I C -0.896 175.188 176.117 -0.054 0.000 1.089 494 I CA -0.919 60.349 61.300 -0.054 0.000 1.041 494 I CB 2.326 40.292 38.000 -0.055 0.000 1.235 494 I HN 0.518 nan 8.210 nan 0.000 0.423 495 S N 5.933 121.774 115.700 0.234 0.000 2.750 495 S HA 0.554 5.024 4.470 0.000 0.000 0.276 495 S C -0.819 174.040 174.600 0.432 0.000 1.165 495 S CA -0.491 57.936 58.200 0.378 0.000 1.047 495 S CB 0.561 64.135 63.200 0.624 0.000 1.056 495 S HN 0.429 nan 8.310 nan 0.000 0.481 496 I N 3.407 124.106 120.570 0.214 0.000 2.529 496 I HA 0.183 4.353 4.170 0.000 0.000 0.284 496 I C 1.127 177.153 176.117 -0.150 0.000 1.082 496 I CA -0.103 61.240 61.300 0.072 0.000 1.406 496 I CB 1.339 39.363 38.000 0.039 0.000 1.405 496 I HN 0.549 nan 8.210 nan 0.000 0.548 497 S N 7.751 123.139 115.700 -0.520 0.000 2.573 497 S HA 0.110 4.580 4.470 0.000 0.000 0.277 497 S C -0.983 173.310 174.600 -0.512 0.000 1.346 497 S CA -1.137 56.334 58.200 -1.213 0.000 1.034 497 S CB 0.724 63.185 63.200 -1.232 0.000 0.879 497 S HN 0.483 nan 8.310 nan 0.000 0.528 498 P HA -0.121 nan 4.420 nan 0.000 0.216 498 P C 1.118 178.361 177.300 -0.096 0.000 1.150 498 P CA 1.491 64.517 63.100 -0.122 0.000 0.843 498 P CB -0.227 31.452 31.700 -0.036 0.000 0.787 499 S N -1.628 113.986 115.700 -0.143 0.000 2.593 499 S HA 0.058 4.528 4.470 0.000 0.000 0.217 499 S C 0.839 175.374 174.600 -0.107 0.000 0.966 499 S CA 0.051 58.191 58.200 -0.100 0.000 0.914 499 S CB -0.861 62.275 63.200 -0.106 0.000 0.776 499 S HN 0.173 nan 8.310 nan 0.000 0.523 500 E N -0.550 119.560 120.200 -0.149 0.000 3.181 500 E HA -0.167 4.183 4.350 0.000 0.000 0.293 500 E C 0.315 176.792 176.600 -0.205 0.000 0.936 500 E CA 0.959 57.287 56.400 -0.120 0.000 0.975 500 E CB -2.259 27.469 29.700 0.045 0.000 1.496 500 E HN 0.639 nan 8.360 nan 0.000 0.429 501 T N -1.154 113.210 114.554 -0.317 0.000 2.978 501 T HA -0.000 4.350 4.350 0.000 0.000 0.262 501 T C 0.426 174.777 174.700 -0.583 0.000 1.063 501 T CA 1.231 63.029 62.100 -0.503 0.000 1.140 501 T CB 0.029 68.466 68.868 -0.718 0.000 0.886 501 T HN 0.228 nan 8.240 nan 0.000 0.470 502 Y N -0.853 119.339 120.300 -0.180 0.000 2.633 502 Y HA 0.679 5.229 4.550 0.000 0.000 0.339 502 Y C -0.463 175.435 175.900 -0.004 0.000 1.045 502 Y CA -1.637 56.435 58.100 -0.046 0.000 1.098 502 Y CB 1.709 40.223 38.460 0.089 0.000 1.296 502 Y HN -0.150 nan 8.280 nan 0.000 0.494 503 I N 1.738 122.547 120.570 0.398 0.000 2.531 503 I HA 0.486 4.656 4.170 0.000 0.000 0.283 503 I C -0.893 175.530 176.117 0.510 0.000 1.083 503 I CA -0.737 60.776 61.300 0.355 0.000 1.071 503 I CB 1.502 39.599 38.000 0.163 0.000 1.210 503 I HN 0.683 nan 8.210 nan 0.000 0.450 504 A N 5.140 128.330 122.820 0.617 0.000 2.309 504 A HA 0.915 5.235 4.320 0.000 0.000 0.298 504 A C -0.204 177.624 177.584 0.408 0.000 1.165 504 A CA -0.299 52.047 52.037 0.515 0.000 0.821 504 A CB 0.995 20.321 19.000 0.544 0.000 1.102 504 A HN 0.830 nan 8.150 nan 0.000 0.500 505 A N 1.792 124.826 122.820 0.356 0.000 2.429 505 A HA 0.727 5.047 4.320 0.000 0.000 0.289 505 A C -0.015 177.717 177.584 0.246 0.000 1.043 505 A CA 0.151 52.363 52.037 0.291 0.000 0.722 505 A CB 1.056 20.222 19.000 0.276 0.000 1.243 505 A HN 1.819 nan 8.150 nan 0.000 0.415 506 G N 0.985 109.919 108.800 0.223 0.000 2.489 506 G HA2 0.666 4.626 3.960 0.000 0.000 0.327 506 G HA3 0.666 4.626 3.960 0.000 0.000 0.327 506 G C -0.877 174.108 174.900 0.142 0.000 1.189 506 G CA -0.226 44.976 45.100 0.170 0.000 0.962 506 G HN 0.908 nan 8.290 nan 0.000 0.486 507 D N -1.762 118.703 120.400 0.108 0.000 2.553 507 D HA 0.532 5.172 4.640 0.000 0.000 0.249 507 D C 0.806 177.140 176.300 0.058 0.000 1.062 507 D CA -0.558 53.497 54.000 0.092 0.000 1.085 507 D CB 0.967 41.828 40.800 0.102 0.000 1.350 507 D HN 0.599 nan 8.370 nan 0.000 0.575 511 K N 1.562 122.007 120.400 0.074 0.000 2.249 511 K HA 0.710 5.030 4.320 0.000 0.000 0.280 511 K C -0.491 176.191 176.600 0.137 0.000 1.033 511 K CA -0.391 56.055 56.287 0.265 0.000 0.946 511 K CB 0.372 33.074 32.500 0.336 0.000 1.005 511 K HN 0.139 nan 8.250 nan 0.000 0.469 512 I N 5.891 126.530 120.570 0.116 0.000 2.466 512 I HA 0.314 4.484 4.170 0.000 0.000 0.289 512 I C -0.814 175.320 176.117 0.030 0.000 1.026 512 I CA -0.868 60.502 61.300 0.117 0.000 1.078 512 I CB 1.435 39.531 38.000 0.160 0.000 1.249 512 I HN 0.361 nan 8.210 nan 0.000 0.429 513 L N 6.238 127.456 121.223 -0.009 0.000 2.346 513 L HA 0.551 4.891 4.340 0.000 0.000 0.274 513 L C -0.691 175.993 176.870 -0.310 0.000 1.007 513 L CA -0.739 53.945 54.840 -0.260 0.000 0.818 513 L CB 2.460 44.296 42.059 -0.373 0.000 1.284 513 L HN 0.438 nan 8.230 nan 0.000 0.424 514 L N 3.152 124.025 121.223 -0.583 0.000 2.265 514 L HA 0.480 4.820 4.340 0.000 0.000 0.289 514 L C -1.273 175.408 176.870 -0.314 0.000 1.033 514 L CA -0.336 54.230 54.840 -0.456 0.000 0.814 514 L CB 0.900 42.417 42.059 -0.904 0.000 1.203 514 L HN 0.495 nan 8.230 nan 0.000 0.423 515 Y N 2.358 122.674 120.300 0.028 0.000 2.457 515 Y HA 0.277 4.827 4.550 0.000 0.000 0.333 515 Y C 0.303 176.314 175.900 0.186 0.000 1.119 515 Y CA -0.737 57.406 58.100 0.072 0.000 1.143 515 Y CB 1.318 39.819 38.460 0.069 0.000 1.230 515 Y HN 0.462 nan 8.280 nan 0.000 0.469 516 D N 3.070 123.651 120.400 0.302 0.000 2.396 516 D HA 0.056 4.696 4.640 0.000 0.000 0.225 516 D C 0.841 177.196 176.300 0.093 0.000 1.121 516 D CA 0.026 54.143 54.000 0.195 0.000 0.853 516 D CB 1.052 41.918 40.800 0.110 0.000 1.043 516 D HN 0.773 nan 8.370 nan 0.000 0.500 517 L N 3.870 125.109 121.223 0.027 0.000 1.997 517 L HA -0.297 4.043 4.340 0.000 0.000 0.216 517 L C 2.147 178.947 176.870 -0.117 0.000 1.074 517 L CA 1.649 56.470 54.840 -0.032 0.000 0.763 517 L CB -0.004 41.968 42.059 -0.145 0.000 0.890 517 L HN 0.421 nan 8.230 nan 0.000 0.434 518 Q N -0.123 119.575 119.800 -0.170 0.000 2.084 518 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 518 Q C 2.312 178.181 176.000 -0.218 0.000 0.978 518 Q CA 2.163 57.834 55.803 -0.219 0.000 0.844 518 Q CB -0.232 28.407 28.738 -0.165 0.000 0.898 518 Q HN 0.698 nan 8.270 nan 0.000 0.426 519 S N -0.179 115.447 115.700 -0.124 0.000 2.575 519 S HA 0.017 4.487 4.470 0.000 0.000 0.215 519 S C 0.389 174.956 174.600 -0.055 0.000 0.966 519 S CA 0.270 58.415 58.200 -0.091 0.000 0.911 519 S CB -0.176 62.999 63.200 -0.042 0.000 0.780 519 S HN 0.499 nan 8.310 nan 0.000 0.514 520 R N -0.319 120.165 120.500 -0.026 0.000 3.722 520 R HA -0.230 4.111 4.340 0.000 0.000 0.284 520 R C -0.511 175.878 176.300 0.148 0.000 1.165 520 R CA 1.478 57.628 56.100 0.084 0.000 0.779 520 R CB -2.790 27.564 30.300 0.089 0.000 1.179 520 R HN 0.621 nan 8.270 nan 0.000 0.491 521 E N 0.178 120.459 120.200 0.134 0.000 2.232 521 E HA 0.530 4.880 4.350 0.000 0.000 0.264 521 E C -0.536 176.143 176.600 0.131 0.000 0.973 521 E CA -0.853 55.622 56.400 0.125 0.000 0.849 521 E CB 1.867 31.595 29.700 0.046 0.000 1.198 521 E HN 0.163 nan 8.360 nan 0.000 0.407 522 V N 3.599 123.515 119.914 0.004 0.000 2.488 522 V HA 0.082 4.202 4.120 0.000 0.000 0.277 522 V C 1.180 177.195 176.094 -0.133 0.000 1.046 522 V CA 0.284 62.469 62.300 -0.191 0.000 0.986 522 V CB 1.246 32.900 31.823 -0.282 0.000 0.989 522 V HN 0.721 nan 8.190 nan 0.000 0.475 523 K N 2.673 122.982 120.400 -0.153 0.000 2.242 523 K HA 0.107 4.428 4.320 0.000 0.000 0.200 523 K C 0.609 177.089 176.600 -0.201 0.000 1.050 523 K CA 0.767 56.988 56.287 -0.109 0.000 0.981 523 K CB 0.482 32.968 32.500 -0.023 0.000 0.795 523 K HN 0.719 nan 8.250 nan 0.000 0.477 524 T N -0.853 113.494 114.554 -0.345 0.000 3.159 524 T HA 0.151 4.501 4.350 0.000 0.000 0.343 524 T C -0.776 173.631 174.700 -0.488 0.000 1.364 524 T CA -0.641 61.224 62.100 -0.391 0.000 1.102 524 T CB 1.565 70.152 68.868 -0.469 0.000 1.263 524 T HN 0.071 nan 8.240 nan 0.000 0.477 525 S N 3.174 118.673 115.700 -0.335 0.000 2.846 525 S HA 0.259 4.729 4.470 0.000 0.000 0.249 525 S C 1.047 175.543 174.600 -0.172 0.000 1.028 525 S CA -0.719 57.313 58.200 -0.280 0.000 1.043 525 S CB 0.193 63.274 63.200 -0.199 0.000 0.990 525 S HN 0.569 nan 8.310 nan 0.000 0.564 526 R N 0.441 120.840 120.500 -0.169 0.000 2.310 526 R HA 0.230 4.570 4.340 0.000 0.000 0.202 526 R C -0.572 175.806 176.300 0.130 0.000 0.933 526 R CA -0.575 55.516 56.100 -0.014 0.000 1.054 526 R CB -0.731 29.576 30.300 0.012 0.000 0.985 526 R HN 0.462 nan 8.270 nan 0.000 0.489 527 W N 1.867 123.054 121.300 -0.188 0.000 2.381 527 W HA 0.290 4.950 4.660 0.000 0.000 0.321 527 W C 0.555 176.976 176.519 -0.163 0.000 1.407 527 W CA -1.640 55.482 57.345 -0.372 0.000 1.274 527 W CB -0.186 28.734 29.460 -0.899 0.000 1.310 527 W HN 0.030 nan 8.180 nan 0.000 0.551 528 A N 5.544 128.546 122.820 0.304 0.000 2.580 528 A HA -0.044 4.276 4.320 0.000 0.000 0.244 528 A C -0.304 177.471 177.584 0.320 0.000 1.045 528 A CA -0.144 52.106 52.037 0.356 0.000 0.761 528 A CB -0.464 18.816 19.000 0.467 0.000 0.962 528 A HN 0.449 nan 8.150 nan 0.000 0.512 529 F N 3.278 123.296 119.950 0.113 0.000 2.572 529 F HA 0.235 4.762 4.527 0.000 0.000 0.370 529 F C 1.292 177.114 175.800 0.038 0.000 1.103 529 F CA -0.041 57.994 58.000 0.059 0.000 1.286 529 F CB 0.711 39.733 39.000 0.037 0.000 1.105 529 F HN 0.610 nan 8.300 nan 0.000 0.583 530 R N 2.373 122.491 120.500 -0.637 0.000 2.290 530 R HA 0.055 4.395 4.340 0.000 0.000 0.197 530 R C 0.799 176.723 176.300 -0.628 0.000 0.913 530 R CA 0.960 56.725 56.100 -0.558 0.000 1.040 530 R CB -0.764 29.238 30.300 -0.497 0.000 0.992 530 R HN 0.940 nan 8.270 nan 0.000 0.500 531 T N -0.003 113.827 114.554 -1.207 0.000 6.500 531 T HA -0.191 4.159 4.350 0.000 0.000 0.302 531 T C 0.087 174.588 174.700 -0.331 0.000 1.706 531 T CA 1.639 63.400 62.100 -0.564 0.000 2.745 531 T CB -1.208 67.619 68.868 -0.067 0.000 2.168 531 T HN 0.330 nan 8.240 nan 0.000 1.110 532 S N -0.360 115.098 115.700 -0.403 0.000 2.537 532 S HA 0.514 4.984 4.470 0.000 0.000 0.270 532 S C -0.756 173.713 174.600 -0.219 0.000 1.142 532 S CA -0.962 57.096 58.200 -0.237 0.000 0.870 532 S CB 1.771 64.847 63.200 -0.207 0.000 1.112 532 S HN 0.473 nan 8.310 nan 0.000 0.466 533 K N 2.850 123.171 120.400 -0.131 0.000 2.511 533 K HA 0.068 4.388 4.320 0.000 0.000 0.280 533 K C -0.765 175.778 176.600 -0.096 0.000 1.008 533 K CA 0.167 56.403 56.287 -0.086 0.000 1.050 533 K CB -0.008 32.466 32.500 -0.045 0.000 0.889 533 K HN 0.475 nan 8.250 nan 0.000 0.484 534 I N 5.017 125.552 120.570 -0.058 0.000 2.416 534 I HA 0.016 4.186 4.170 0.000 0.000 0.288 534 I C 0.889 176.987 176.117 -0.032 0.000 1.051 534 I CA 0.118 61.386 61.300 -0.053 0.000 1.375 534 I CB 1.163 39.172 38.000 0.016 0.000 1.407 534 I HN 0.652 nan 8.210 nan 0.000 0.516 535 N N 4.441 123.066 118.700 -0.125 0.000 2.294 535 N HA 0.387 5.127 4.740 0.000 0.000 0.186 535 N C -0.165 175.040 175.510 -0.508 0.000 1.107 535 N CA 0.121 53.067 53.050 -0.173 0.000 0.884 535 N CB 0.886 39.283 38.487 -0.151 0.000 1.030 535 N HN 0.647 nan 8.380 nan 0.000 0.482 536 A N 0.444 122.905 122.820 -0.597 0.000 2.540 536 A HA 0.712 5.032 4.320 0.000 0.000 0.297 536 A C -1.454 175.827 177.584 -0.505 0.000 1.056 536 A CA -0.498 50.974 52.037 -0.942 0.000 0.700 536 A CB 1.111 19.789 19.000 -0.536 0.000 1.280 536 A HN 0.019 nan 8.150 nan 0.000 0.398 537 I N 1.283 121.637 120.570 -0.361 0.000 2.534 537 I HA 0.602 4.772 4.170 0.000 0.000 0.288 537 I C -0.235 175.997 176.117 0.191 0.000 1.077 537 I CA -0.472 60.860 61.300 0.053 0.000 1.051 537 I CB 2.345 40.526 38.000 0.301 0.000 1.234 537 I HN 0.559 nan 8.210 nan 0.000 0.425 538 S N 5.264 121.042 115.700 0.131 0.000 2.619 538 S HA 0.503 4.973 4.470 0.000 0.000 0.280 538 S C -1.685 173.138 174.600 0.372 0.000 1.150 538 S CA -0.484 57.908 58.200 0.322 0.000 0.978 538 S CB 0.749 64.129 63.200 0.300 0.000 1.041 538 S HN 0.408 nan 8.310 nan 0.000 0.485 539 W N 4.025 125.512 121.300 0.311 0.000 2.266 539 W HA 0.381 5.041 4.660 0.000 0.000 0.317 539 W C 0.737 177.137 176.519 -0.197 0.000 1.310 539 W CA -0.443 56.989 57.345 0.146 0.000 1.207 539 W CB 0.484 30.018 29.460 0.124 0.000 1.199 539 W HN 0.603 nan 8.180 nan 0.000 0.544 540 K N 6.335 126.467 120.400 -0.446 0.000 2.339 540 K HA 0.174 4.495 4.320 0.000 0.000 0.286 540 K C -1.925 174.327 176.600 -0.579 0.000 1.050 540 K CA -1.262 54.196 56.287 -1.382 0.000 0.956 540 K CB 0.476 32.004 32.500 -1.621 0.000 0.990 540 K HN 0.153 nan 8.250 nan 0.000 0.475 541 P HA 0.103 nan 4.420 nan 0.000 0.278 541 P C -0.948 176.264 177.300 -0.146 0.000 1.238 541 P CA -0.512 62.489 63.100 -0.165 0.000 0.794 541 P CB 1.285 32.950 31.700 -0.057 0.000 0.955 542 A N 2.003 124.784 122.820 -0.064 0.000 2.425 542 A HA 0.113 4.433 4.320 0.000 0.000 0.242 542 A C 0.756 178.325 177.584 -0.024 0.000 1.077 542 A CA -0.008 52.005 52.037 -0.041 0.000 0.781 542 A CB -0.381 18.613 19.000 -0.009 0.000 1.020 542 A HN 0.608 nan 8.150 nan 0.000 0.494 551 I N 2.647 123.233 120.570 0.026 0.000 2.756 551 I HA -0.090 4.080 4.170 0.000 0.000 0.262 551 I C 0.652 176.795 176.117 0.044 0.000 1.225 551 I CA 1.170 62.486 61.300 0.027 0.000 1.472 551 I CB -0.336 37.677 38.000 0.022 0.000 1.094 551 I HN 0.061 nan 8.210 nan 0.000 0.454 552 E N 1.905 122.139 120.200 0.058 0.000 2.415 552 E HA 0.026 4.376 4.350 0.000 0.000 0.263 552 E C 0.106 176.787 176.600 0.134 0.000 0.995 552 E CA -0.022 56.433 56.400 0.092 0.000 0.915 552 E CB 0.271 30.028 29.700 0.095 0.000 0.951 552 E HN 0.344 nan 8.360 nan 0.000 0.449 553 E N 1.983 122.304 120.200 0.201 0.000 2.413 553 E HA -0.059 4.291 4.350 0.000 0.000 0.263 553 E C -0.027 176.768 176.600 0.325 0.000 1.015 553 E CA 0.428 57.013 56.400 0.308 0.000 0.916 553 E CB 0.670 30.625 29.700 0.426 0.000 0.947 553 E HN 0.490 nan 8.360 nan 0.000 0.440 554 D N 1.465 122.031 120.400 0.277 0.000 2.630 554 D HA 0.024 4.664 4.640 0.000 0.000 0.137 554 D C -0.804 175.561 176.300 0.109 0.000 1.483 554 D CA -0.135 53.977 54.000 0.187 0.000 1.490 554 D CB -0.087 40.783 40.800 0.116 0.000 1.894 554 D HN 0.188 nan 8.370 nan 0.000 0.269 555 L N 2.193 123.433 121.223 0.028 0.000 2.380 555 L HA 0.428 4.768 4.340 0.000 0.000 0.273 555 L C -0.087 176.709 176.870 -0.123 0.000 1.138 555 L CA -0.485 54.324 54.840 -0.051 0.000 0.832 555 L CB 1.267 43.303 42.059 -0.040 0.000 1.124 555 L HN 0.215 nan 8.230 nan 0.000 0.454 556 V N 1.149 120.927 119.914 -0.227 0.000 2.524 556 V HA 0.895 5.015 4.120 0.000 0.000 0.297 556 V C -0.025 175.966 176.094 -0.171 0.000 1.035 556 V CA -0.999 61.103 62.300 -0.330 0.000 0.867 556 V CB 1.132 32.483 31.823 -0.786 0.000 1.004 556 V HN 0.872 nan 8.190 nan 0.000 0.426 557 A N 4.458 127.321 122.820 0.073 0.000 2.388 557 A HA 0.842 5.162 4.320 0.000 0.000 0.257 557 A C 0.636 178.129 177.584 -0.152 0.000 1.095 557 A CA 0.441 52.430 52.037 -0.080 0.000 0.791 557 A CB 0.405 19.290 19.000 -0.192 0.000 1.029 557 A HN 1.945 nan 8.150 nan 0.000 0.489 558 T N -0.515 113.909 114.554 -0.216 0.000 2.956 558 T HA 0.711 5.061 4.350 0.000 0.000 0.312 558 T C -0.302 174.264 174.700 -0.224 0.000 1.151 558 T CA 0.006 62.000 62.100 -0.177 0.000 1.024 558 T CB 1.579 70.408 68.868 -0.065 0.000 1.140 558 T HN 1.513 nan 8.240 nan 0.000 0.473 559 G N 0.739 109.403 108.800 -0.226 0.000 2.519 559 G HA2 0.752 4.712 3.960 0.000 0.000 0.307 559 G HA3 0.752 4.712 3.960 0.000 0.000 0.307 559 G C -0.732 174.039 174.900 -0.214 0.000 1.266 559 G CA -0.567 44.398 45.100 -0.225 0.000 0.970 559 G HN 1.420 nan 8.290 nan 0.000 0.481 560 S N 0.218 115.791 115.700 -0.211 0.000 2.671 560 S HA 0.404 4.874 4.470 0.000 0.000 0.277 560 S C 0.536 175.044 174.600 -0.153 0.000 1.165 560 S CA -0.641 57.444 58.200 -0.191 0.000 0.822 560 S CB 1.381 64.435 63.200 -0.242 0.000 1.150 560 S HN 0.806 nan 8.310 nan 0.000 0.479 561 L N 1.408 122.552 121.223 -0.131 0.000 2.447 561 L HA 0.041 4.381 4.340 0.000 0.000 0.225 561 L C 1.261 178.068 176.870 -0.106 0.000 1.148 561 L CA 1.957 56.737 54.840 -0.100 0.000 0.808 561 L CB -0.864 41.145 42.059 -0.085 0.000 0.928 561 L HN 0.876 nan 8.230 nan 0.000 0.448 562 D N -1.917 118.394 120.400 -0.148 0.000 2.344 562 D HA -0.072 4.568 4.640 0.000 0.000 0.242 562 D C 1.278 177.508 176.300 -0.117 0.000 1.159 562 D CA 0.874 54.787 54.000 -0.145 0.000 0.859 562 D CB -0.857 39.817 40.800 -0.210 0.000 0.925 562 D HN 0.457 nan 8.370 nan 0.000 0.510 563 T N -3.843 110.659 114.554 -0.088 0.000 8.413 563 T HA -0.300 4.050 4.350 0.000 0.000 0.334 563 T C 0.272 174.936 174.700 -0.059 0.000 1.928 563 T CA 1.218 63.292 62.100 -0.044 0.000 2.815 563 T CB -2.365 66.486 68.868 -0.029 0.000 2.611 563 T HN 0.380 nan 8.240 nan 0.000 1.239 564 N N 0.847 119.478 118.700 -0.115 0.000 2.489 564 N HA 0.681 5.421 4.740 0.000 0.000 0.284 564 N C -0.127 175.294 175.510 -0.149 0.000 1.158 564 N CA -0.635 52.354 53.050 -0.101 0.000 0.965 564 N CB 1.038 39.508 38.487 -0.028 0.000 1.195 564 N HN 0.492 nan 8.380 nan 0.000 0.506 565 I N 1.710 122.206 120.570 -0.123 0.000 2.382 565 I HA 0.279 4.449 4.170 0.000 0.000 0.285 565 I C -0.999 175.096 176.117 -0.038 0.000 1.007 565 I CA -0.483 60.684 61.300 -0.222 0.000 1.142 565 I CB 0.539 38.231 38.000 -0.513 0.000 1.289 565 I HN 0.134 nan 8.210 nan 0.000 0.453 566 F N 6.694 126.357 119.950 -0.478 0.000 2.426 566 F HA 0.500 5.027 4.527 0.000 0.000 0.348 566 F C 0.250 175.600 175.800 -0.751 0.000 1.124 566 F CA -1.105 56.505 58.000 -0.649 0.000 1.008 566 F CB 1.498 39.984 39.000 -0.856 0.000 1.139 566 F HN 0.194 nan 8.300 nan 0.000 0.452 567 I N 5.455 125.720 120.570 -0.508 0.000 2.306 567 I HA 0.228 4.398 4.170 0.000 0.000 0.288 567 I C -0.432 175.369 176.117 -0.527 0.000 1.036 567 I CA -0.555 60.498 61.300 -0.412 0.000 1.221 567 I CB 0.400 38.278 38.000 -0.202 0.000 1.385 567 I HN 0.495 nan 8.210 nan 0.000 0.472 568 Y N 3.588 123.565 120.300 -0.538 0.000 2.344 568 Y HA 0.359 4.909 4.550 0.000 0.000 0.330 568 Y C 0.942 176.508 175.900 -0.557 0.000 1.330 568 Y CA -0.194 57.407 58.100 -0.832 0.000 1.479 568 Y CB 1.113 38.373 38.460 -1.999 0.000 1.428 568 Y HN 0.457 nan 8.280 nan 0.000 0.544 569 S N -0.668 114.948 115.700 -0.140 0.000 2.614 569 S HA 0.333 4.803 4.470 0.000 0.000 0.288 569 S C 0.062 174.900 174.600 0.397 0.000 1.137 569 S CA -0.730 57.532 58.200 0.103 0.000 0.992 569 S CB 1.038 64.282 63.200 0.073 0.000 1.026 569 S HN 0.489 nan 8.310 nan 0.000 0.486 570 V N 6.447 126.572 119.914 0.352 0.000 2.295 570 V HA -0.133 3.987 4.120 0.000 0.000 0.246 570 V C 2.528 178.710 176.094 0.146 0.000 1.049 570 V CA 1.864 64.308 62.300 0.242 0.000 1.024 570 V CB -0.589 31.261 31.823 0.046 0.000 0.648 570 V HN 0.851 nan 8.190 nan 0.000 0.447 571 K N -0.084 120.395 120.400 0.133 0.000 2.026 571 K HA -0.079 4.241 4.320 0.000 0.000 0.208 571 K C 0.729 177.387 176.600 0.096 0.000 1.048 571 K CA 0.920 57.267 56.287 0.101 0.000 0.929 571 K CB -0.007 32.547 32.500 0.090 0.000 0.713 571 K HN 0.240 nan 8.250 nan 0.000 0.439 572 R N 0.833 121.403 120.500 0.116 0.000 2.494 572 R HA 0.302 4.642 4.340 0.000 0.000 0.284 572 R C -2.717 173.680 176.300 0.163 0.000 1.525 572 R CA -2.139 54.024 56.100 0.105 0.000 1.460 572 R CB 0.739 31.080 30.300 0.069 0.000 1.134 572 R HN 0.058 nan 8.270 nan 0.000 0.592 576 I N 5.216 125.708 120.570 -0.131 0.000 2.499 576 I HA 0.496 4.666 4.170 0.000 0.000 0.288 576 I C -0.473 175.450 176.117 -0.324 0.000 1.048 576 I CA -0.890 60.243 61.300 -0.279 0.000 1.062 576 I CB 1.702 39.474 38.000 -0.380 0.000 1.238 576 I HN 0.415 nan 8.210 nan 0.000 0.426 577 I N 6.985 127.353 120.570 -0.337 0.000 2.330 577 I HA 0.388 4.558 4.170 0.000 0.000 0.289 577 I C -0.296 175.578 176.117 -0.406 0.000 1.001 577 I CA -0.505 60.621 61.300 -0.290 0.000 1.193 577 I CB 0.951 38.838 38.000 -0.188 0.000 1.345 577 I HN 0.568 nan 8.210 nan 0.000 0.461 578 K N 4.925 125.070 120.400 -0.425 0.000 2.444 578 K HA 0.943 5.263 4.320 0.000 0.000 0.252 578 K C -1.235 175.181 176.600 -0.307 0.000 0.993 578 K CA -1.103 54.905 56.287 -0.465 0.000 0.847 578 K CB 2.638 34.639 32.500 -0.833 0.000 1.340 578 K HN 0.505 nan 8.250 nan 0.000 0.446 579 A N 2.677 125.323 122.820 -0.290 0.000 2.466 579 A HA 0.427 4.747 4.320 0.000 0.000 0.291 579 A C -0.566 176.919 177.584 -0.166 0.000 1.234 579 A CA -0.873 51.008 52.037 -0.261 0.000 0.752 579 A CB 0.245 18.907 19.000 -0.564 0.000 1.153 579 A HN 0.643 nan 8.150 nan 0.000 0.458 580 L N 1.872 123.057 121.223 -0.064 0.000 2.436 580 L HA 0.254 4.594 4.340 0.000 0.000 0.265 580 L C 0.313 177.179 176.870 -0.006 0.000 1.168 580 L CA -0.659 54.174 54.840 -0.012 0.000 0.815 580 L CB 0.227 42.289 42.059 0.004 0.000 1.109 580 L HN 0.836 nan 8.230 nan 0.000 0.462 581 N N 0.379 119.072 118.700 -0.012 0.000 2.735 581 N HA -0.245 4.495 4.740 0.000 0.000 0.248 581 N C 0.834 176.342 175.510 -0.003 0.000 1.083 581 N CA 0.831 53.873 53.050 -0.014 0.000 0.703 581 N CB -1.095 37.383 38.487 -0.015 0.000 1.005 581 N HN 0.869 nan 8.380 nan 0.000 0.550 582 A N 0.018 122.831 122.820 -0.011 0.000 1.883 582 A HA -0.129 4.191 4.320 0.000 0.000 0.217 582 A C 0.718 178.132 177.584 -0.284 0.000 1.186 582 A CA 1.362 53.396 52.037 -0.006 0.000 0.624 582 A CB -0.056 18.919 19.000 -0.042 0.000 0.822 582 A HN 0.570 nan 8.150 nan 0.000 0.444 583 H N -1.379 117.725 119.070 0.056 0.000 2.856 583 H HA 0.277 4.833 4.556 0.000 0.000 0.355 583 H C -0.930 174.394 175.328 -0.007 0.000 1.079 583 H CA -0.821 55.248 56.048 0.034 0.000 1.240 583 H CB 1.225 31.003 29.762 0.027 0.000 1.701 583 H HN 0.292 nan 8.280 nan 0.000 0.527 584 K N 2.378 122.831 120.400 0.088 0.000 2.412 584 K HA -0.058 4.262 4.320 0.000 0.000 0.281 584 K C -0.338 176.280 176.600 0.030 0.000 1.027 584 K CA 0.350 56.645 56.287 0.013 0.000 0.989 584 K CB 0.270 32.746 32.500 -0.040 0.000 0.935 584 K HN 0.671 nan 8.250 nan 0.000 0.475 585 D N 1.646 122.043 120.400 -0.005 0.000 3.041 585 D HA -0.156 4.484 4.640 0.000 0.000 0.220 585 D C 0.057 176.352 176.300 -0.009 0.000 1.157 585 D CA 1.622 55.616 54.000 -0.010 0.000 0.876 585 D CB -1.506 39.293 40.800 -0.001 0.000 1.107 585 D HN 1.033 nan 8.370 nan 0.000 0.422 586 G N -1.664 107.137 108.800 0.001 0.000 2.906 586 G HA2 0.055 4.015 3.960 0.000 0.000 0.686 586 G HA3 0.055 4.015 3.960 0.000 0.000 0.686 586 G C -0.468 174.422 174.900 -0.016 0.000 1.170 586 G CA -0.415 44.674 45.100 -0.019 0.000 0.775 586 G HN 0.483 nan 8.290 nan 0.000 0.630 587 V N 3.126 123.020 119.914 -0.034 0.000 2.455 587 V HA 0.245 4.365 4.120 0.000 0.000 0.273 587 V C 0.983 176.985 176.094 -0.154 0.000 1.045 587 V CA -0.152 62.101 62.300 -0.078 0.000 0.976 587 V CB 1.399 33.198 31.823 -0.041 0.000 0.993 587 V HN 0.749 nan 8.190 nan 0.000 0.475 588 N N 3.056 121.633 118.700 -0.205 0.000 2.436 588 N HA 0.094 4.834 4.740 0.000 0.000 0.178 588 N C 0.272 175.668 175.510 -0.191 0.000 1.026 588 N CA 0.574 53.520 53.050 -0.175 0.000 0.880 588 N CB 0.203 38.599 38.487 -0.152 0.000 1.061 588 N HN 0.591 nan 8.380 nan 0.000 0.434 589 N N 0.201 118.784 118.700 -0.195 0.000 2.262 589 N HA 0.420 5.160 4.740 0.000 0.000 0.295 589 N C -1.300 174.115 175.510 -0.157 0.000 1.161 589 N CA -0.389 52.561 53.050 -0.166 0.000 0.767 589 N CB 2.927 41.349 38.487 -0.109 0.000 1.499 589 N HN -0.050 nan 8.380 nan 0.000 0.476 590 L N 1.873 123.007 121.223 -0.150 0.000 2.493 590 L HA 0.570 4.910 4.340 0.000 0.000 0.265 590 L C -1.733 175.073 176.870 -0.107 0.000 0.954 590 L CA -0.474 54.272 54.840 -0.158 0.000 0.844 590 L CB 1.812 43.735 42.059 -0.226 0.000 1.302 590 L HN 0.404 nan 8.230 nan 0.000 0.405 591 L N 2.089 123.238 121.223 -0.123 0.000 2.540 591 L HA 0.418 4.758 4.340 0.000 0.000 0.256 591 L C -1.719 175.087 176.870 -0.107 0.000 1.001 591 L CA -0.512 54.316 54.840 -0.020 0.000 0.843 591 L CB 2.533 44.633 42.059 0.068 0.000 1.436 591 L HN 0.517 nan 8.230 nan 0.000 0.410 592 W N 1.350 122.693 121.300 0.070 0.000 2.311 592 W HA 0.352 5.012 4.660 0.000 0.000 0.317 592 W C 1.164 177.727 176.519 0.072 0.000 1.065 592 W CA -0.221 57.166 57.345 0.069 0.000 1.364 592 W CB 1.100 30.606 29.460 0.077 0.000 1.233 592 W HN 0.601 nan 8.180 nan 0.000 0.409 593 E N 1.395 121.722 120.200 0.211 0.000 2.158 593 E HA -0.050 4.300 4.350 0.000 0.000 0.191 593 E C 0.142 176.847 176.600 0.176 0.000 0.982 593 E CA 1.030 57.523 56.400 0.156 0.000 0.823 593 E CB 0.478 30.232 29.700 0.091 0.000 0.766 593 E HN 0.274 nan 8.360 nan 0.000 0.468 594 T N -0.457 114.234 114.554 0.229 0.000 2.883 594 T HA 0.232 4.582 4.350 0.000 0.000 0.301 594 T C -2.436 172.442 174.700 0.297 0.000 1.158 594 T CA -1.355 60.868 62.100 0.206 0.000 1.007 594 T CB 1.749 70.709 68.868 0.153 0.000 1.186 594 T HN -0.219 nan 8.240 nan 0.000 0.499 595 P HA -0.043 nan 4.420 nan 0.000 0.221 595 P C 0.981 178.418 177.300 0.229 0.000 1.145 595 P CA 0.776 63.946 63.100 0.116 0.000 0.795 595 P CB 0.173 31.892 31.700 0.031 0.000 0.775 596 S N -3.362 112.495 115.700 0.263 0.000 2.578 596 S HA 0.175 4.645 4.470 0.000 0.000 0.231 596 S C 0.451 175.214 174.600 0.272 0.000 0.994 596 S CA -0.215 58.148 58.200 0.272 0.000 0.956 596 S CB -0.734 62.558 63.200 0.153 0.000 0.870 596 S HN 0.128 nan 8.310 nan 0.000 0.494 597 T N 0.008 114.736 114.554 0.290 0.000 2.921 597 T HA 0.724 5.074 4.350 0.000 0.000 0.297 597 T C -0.794 173.938 174.700 0.054 0.000 1.013 597 T CA -0.774 61.417 62.100 0.152 0.000 0.990 597 T CB 1.349 70.283 68.868 0.111 0.000 1.023 597 T HN 0.193 nan 8.240 nan 0.000 0.447 598 L N 2.457 123.626 121.223 -0.091 0.000 2.334 598 L HA 0.851 5.191 4.340 0.000 0.000 0.272 598 L C -0.698 176.189 176.870 0.028 0.000 1.020 598 L CA -1.326 53.356 54.840 -0.263 0.000 0.812 598 L CB 2.164 43.876 42.059 -0.578 0.000 1.264 598 L HN 0.537 nan 8.230 nan 0.000 0.439 599 V N 0.835 120.737 119.914 -0.020 0.000 2.531 599 V HA 0.544 4.664 4.120 0.000 0.000 0.301 599 V C -0.278 175.851 176.094 0.058 0.000 1.034 599 V CA -0.498 61.839 62.300 0.060 0.000 0.865 599 V CB 1.749 33.573 31.823 0.002 0.000 0.995 599 V HN 0.883 nan 8.190 nan 0.000 0.424 600 S N 2.945 118.764 115.700 0.198 0.000 2.638 600 S HA 0.971 5.441 4.470 0.000 0.000 0.302 600 S C -0.424 174.224 174.600 0.079 0.000 1.096 600 S CA -0.423 57.873 58.200 0.160 0.000 0.953 600 S CB 2.264 65.675 63.200 0.352 0.000 1.107 600 S HN 1.210 nan 8.310 nan 0.000 0.503 601 S N -0.412 115.156 115.700 -0.219 0.000 2.556 601 S HA 0.939 5.409 4.470 0.000 0.000 0.271 601 S C -0.222 173.882 174.600 -0.827 0.000 1.135 601 S CA -0.452 57.474 58.200 -0.458 0.000 0.858 601 S CB 1.209 64.268 63.200 -0.234 0.000 1.114 601 S HN 1.615 nan 8.310 nan 0.000 0.468 602 G N -0.391 107.914 108.800 -0.824 0.000 2.788 602 G HA2 0.688 4.648 3.960 0.000 0.000 0.293 602 G HA3 0.688 4.648 3.960 0.000 0.000 0.293 602 G C 0.502 175.301 174.900 -0.168 0.000 1.392 602 G CA -0.340 44.457 45.100 -0.505 0.000 0.810 602 G HN 1.296 nan 8.290 nan 0.000 0.508 603 A N -0.520 122.268 122.820 -0.054 0.000 2.172 603 A HA 0.069 4.389 4.320 0.000 0.000 0.216 603 A C 1.580 179.206 177.584 0.071 0.000 1.154 603 A CA 2.120 54.173 52.037 0.027 0.000 0.701 603 A CB -0.409 18.611 19.000 0.033 0.000 0.789 603 A HN 0.618 nan 8.150 nan 0.000 0.465 604 D N -1.902 118.553 120.400 0.093 0.000 2.328 604 D HA 0.364 5.004 4.640 0.000 0.000 0.226 604 D C 0.793 177.180 176.300 0.145 0.000 1.066 604 D CA 0.610 54.708 54.000 0.162 0.000 0.861 604 D CB -0.399 40.541 40.800 0.233 0.000 0.912 604 D HN 0.868 nan 8.370 nan 0.000 0.521 605 A N -1.493 121.353 122.820 0.044 0.000 2.887 605 A HA -0.218 4.102 4.320 0.000 0.000 0.257 605 A C 0.559 178.148 177.584 0.008 0.000 1.372 605 A CA 0.575 52.604 52.037 -0.013 0.000 0.879 605 A CB -2.591 16.405 19.000 -0.006 0.000 1.082 605 A HN 0.483 nan 8.150 nan 0.000 0.703 606 C N -0.546 118.796 119.300 0.070 0.000 2.365 606 C HA 0.796 5.256 4.460 0.000 0.000 0.349 606 C C 0.582 175.632 174.990 0.100 0.000 1.191 606 C CA -0.530 58.550 59.018 0.103 0.000 2.114 606 C CB 1.016 28.894 27.740 0.231 0.000 2.367 606 C HN 0.526 nan 8.230 nan 0.000 0.530 607 I N 2.081 122.671 120.570 0.033 0.000 2.465 607 I HA 0.434 4.604 4.170 0.000 0.000 0.291 607 I C -0.369 175.725 176.117 -0.038 0.000 1.014 607 I CA -0.318 60.973 61.300 -0.015 0.000 1.093 607 I CB 1.329 39.224 38.000 -0.175 0.000 1.267 607 I HN 0.579 nan 8.210 nan 0.000 0.431 608 K N 5.956 126.374 120.400 0.030 0.000 2.422 608 K HA 0.636 4.956 4.320 0.000 0.000 0.251 608 K C -1.033 175.416 176.600 -0.251 0.000 0.933 608 K CA -0.971 55.184 56.287 -0.220 0.000 0.798 608 K CB 2.865 35.134 32.500 -0.385 0.000 1.238 608 K HN 0.472 nan 8.250 nan 0.000 0.428 609 R N 1.385 121.620 120.500 -0.441 0.000 2.532 609 R HA 0.455 4.795 4.340 0.000 0.000 0.295 609 R C -1.211 174.820 176.300 -0.448 0.000 0.968 609 R CA -0.719 55.227 56.100 -0.255 0.000 0.916 609 R CB 1.129 31.322 30.300 -0.178 0.000 1.124 609 R HN 0.494 nan 8.270 nan 0.000 0.463 610 W N 0.730 121.964 121.300 -0.111 0.000 3.022 610 W HA 0.376 5.036 4.660 0.000 0.000 0.335 610 W C -0.371 176.099 176.519 -0.082 0.000 1.133 610 W CA -0.748 56.534 57.345 -0.104 0.000 1.219 610 W CB 0.922 30.298 29.460 -0.140 0.000 1.409 610 W HN 0.245 nan 8.180 nan 0.000 0.507 611 N N 1.374 120.178 118.700 0.172 0.000 2.455 611 N HA 0.423 5.163 4.740 0.000 0.000 0.280 611 N C -1.216 174.365 175.510 0.118 0.000 1.055 611 N CA -0.323 52.797 53.050 0.117 0.000 0.961 611 N CB 1.960 40.494 38.487 0.079 0.000 1.121 611 N HN 0.164 nan 8.380 nan 0.000 0.476 612 V N 2.924 122.911 119.914 0.122 0.000 2.328 612 V HA 0.281 4.401 4.120 0.000 0.000 0.278 612 V C 0.083 176.245 176.094 0.113 0.000 1.021 612 V CA -0.721 61.650 62.300 0.119 0.000 0.838 612 V CB 1.519 33.468 31.823 0.210 0.000 0.999 612 V HN 0.273 nan 8.190 nan 0.000 0.447 613 V N 6.796 126.753 119.914 0.072 0.000 2.357 613 V HA 0.315 4.435 4.120 0.000 0.000 0.284 613 V C 0.807 176.924 176.094 0.039 0.000 1.018 613 V CA -0.281 62.052 62.300 0.055 0.000 0.841 613 V CB 1.628 33.475 31.823 0.040 0.000 0.991 613 V HN 0.760 nan 8.190 nan 0.000 0.437 614 L N 2.908 124.155 121.223 0.041 0.000 2.599 614 L HA 0.251 4.591 4.340 0.000 0.000 0.230 614 L C 0.984 177.864 176.870 0.017 0.000 1.141 614 L CA 0.530 55.385 54.840 0.026 0.000 0.877 614 L CB -0.497 41.578 42.059 0.027 0.000 1.009 614 L HN 0.930 nan 8.230 nan 0.000 0.447 615 E N 0.000 120.212 120.200 0.020 0.000 2.725 615 E HA 0.000 4.350 4.350 0.000 0.000 0.291 615 E CA 0.000 56.409 56.400 0.015 0.000 0.976 615 E CB 0.000 29.705 29.700 0.008 0.000 0.812 615 E HN 0.000 nan 8.360 nan 0.000 0.440