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_A 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 VV 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 0.000 174.586 174.600 -0.023 0.000 1.055 2 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 2 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 3 S N 3.262 118.954 115.700 -0.013 0.000 2.595 3 S HA 0.711 5.181 4.470 -0.000 0.000 0.270 3 S C -1.408 173.186 174.600 -0.011 0.000 1.145 3 S CA -1.001 57.182 58.200 -0.029 0.000 0.825 3 S CB 0.789 63.977 63.200 -0.021 0.000 1.107 3 S HN 0.559 nan 8.310 nan 0.000 0.461 4 I N 2.392 122.942 120.570 -0.034 0.000 2.362 4 I HA 0.561 4.731 4.170 -0.000 0.000 0.289 4 I C -0.247 175.929 176.117 0.098 0.000 0.994 4 I CA -0.530 60.767 61.300 -0.004 0.000 1.158 4 I CB 1.964 39.866 38.000 -0.164 0.000 1.315 4 I HN 0.824 nan 8.210 nan 0.000 0.451 5 S N 6.148 121.959 115.700 0.185 0.000 2.526 5 S HA 0.587 5.057 4.470 -0.000 0.000 0.293 5 S C -0.718 174.032 174.600 0.250 0.000 1.092 5 S CA -0.878 57.442 58.200 0.200 0.000 0.980 5 S CB 2.157 65.415 63.200 0.096 0.000 1.048 5 S HN 0.479 nan 8.310 nan 0.000 0.483 6 L N 2.363 123.678 121.223 0.152 0.000 2.499 6 L HA 0.358 4.697 4.340 -0.000 0.000 0.273 6 L C 1.059 177.812 176.870 -0.195 0.000 1.195 6 L CA 0.862 55.557 54.840 -0.242 0.000 0.882 6 L CB 0.391 42.254 42.059 -0.327 0.000 1.133 6 L HN 1.030 nan 8.230 nan 0.000 0.483 7 K N 2.894 123.117 120.400 -0.295 0.000 2.350 7 K HA 0.227 4.547 4.320 -0.000 0.000 0.196 7 K C -0.016 176.459 176.600 -0.208 0.000 1.084 7 K CA 0.163 56.342 56.287 -0.181 0.000 0.967 7 K CB 0.468 32.890 32.500 -0.129 0.000 0.950 7 K HN 0.781 nan 8.250 nan 0.000 0.512 8 E N 0.209 120.219 120.200 -0.316 0.000 2.380 8 E HA 0.281 4.631 4.350 -0.000 0.000 0.281 8 E C -1.715 174.683 176.600 -0.337 0.000 0.999 8 E CA -0.610 55.627 56.400 -0.272 0.000 0.800 8 E CB 1.583 31.149 29.700 -0.223 0.000 1.228 8 E HN 0.078 nan 8.360 nan 0.000 0.436 9 I N 4.475 124.890 120.570 -0.259 0.000 2.447 9 I HA 0.379 4.548 4.170 -0.000 0.000 0.287 9 I C -0.516 175.483 176.117 -0.197 0.000 1.023 9 I CA -0.734 60.426 61.300 -0.233 0.000 1.083 9 I CB 1.656 39.547 38.000 -0.181 0.000 1.245 9 I HN 0.443 nan 8.210 nan 0.000 0.434 10 I N 8.562 128.999 120.570 -0.222 0.000 2.347 10 I HA 0.274 4.444 4.170 -0.000 0.000 0.283 10 I C -2.038 173.987 176.117 -0.153 0.000 1.058 10 I CA -1.736 59.417 61.300 -0.245 0.000 1.202 10 I CB 0.935 38.648 38.000 -0.477 0.000 1.386 10 I HN 0.255 nan 8.210 nan 0.000 0.475 11 P HA 0.298 nan 4.420 nan 0.000 0.274 11 P C -2.654 174.532 177.300 -0.189 0.000 1.237 11 P CA -1.293 61.678 63.100 -0.216 0.000 0.793 11 P CB 0.198 31.788 31.700 -0.183 0.000 0.977 12 P HA 0.197 nan 4.420 nan 0.000 0.286 12 P C -0.075 177.178 177.300 -0.078 0.000 1.293 12 P CA -0.186 62.820 63.100 -0.156 0.000 0.770 12 P CB 0.280 31.860 31.700 -0.201 0.000 1.206 13 Q N -0.544 119.213 119.800 -0.071 0.000 2.180 13 Q HA 0.423 4.763 4.340 -0.000 0.000 0.241 13 Q C -2.194 173.678 176.000 -0.213 0.000 0.970 13 Q CA -2.121 53.570 55.803 -0.186 0.000 0.919 13 Q CB -0.635 28.014 28.738 -0.150 0.000 1.222 13 Q HN 0.256 nan 8.270 nan 0.000 0.482 14 P HA -0.007 nan 4.420 nan 0.000 0.269 14 P C -0.353 176.929 177.300 -0.030 0.000 1.209 14 P CA 0.184 63.147 63.100 -0.229 0.000 0.776 14 P CB 0.561 32.054 31.700 -0.345 0.000 0.876 15 S N 1.540 117.293 115.700 0.088 0.000 2.572 15 S HA 0.296 4.766 4.470 -0.000 0.000 0.279 15 S C -0.087 174.518 174.600 0.008 0.000 1.341 15 S CA 0.505 58.737 58.200 0.054 0.000 1.043 15 S CB -0.445 62.808 63.200 0.089 0.000 0.887 15 S HN 0.424 nan 8.310 nan 0.000 0.516 16 T N 3.748 118.294 114.554 -0.013 0.000 2.900 16 T HA 0.475 4.825 4.350 -0.000 0.000 0.303 16 T C -1.574 173.112 174.700 -0.024 0.000 1.142 16 T CA -0.590 61.490 62.100 -0.034 0.000 1.007 16 T CB 1.688 70.517 68.868 -0.065 0.000 1.156 16 T HN 0.681 nan 8.240 nan 0.000 0.490 17 Q N 1.197 120.990 119.800 -0.011 0.000 2.315 17 Q HA 0.452 4.792 4.340 -0.000 0.000 0.273 17 Q C -0.930 175.124 176.000 0.089 0.000 1.053 17 Q CA -1.058 54.765 55.803 0.032 0.000 0.817 17 Q CB 2.845 31.576 28.738 -0.012 0.000 1.326 17 Q HN 0.501 nan 8.270 nan 0.000 0.423 18 R N 2.310 122.862 120.500 0.086 0.000 2.570 18 R HA 0.002 4.342 4.340 -0.000 0.000 0.277 18 R C 0.061 176.459 176.300 0.163 0.000 1.039 18 R CA 1.086 57.223 56.100 0.062 0.000 1.065 18 R CB 0.070 30.404 30.300 0.057 0.000 0.964 18 R HN 0.761 nan 8.270 nan 0.000 0.428 19 N N 0.820 119.553 118.700 0.054 0.000 2.936 19 N HA -0.236 4.504 4.740 -0.000 0.000 0.236 19 N C -1.131 174.236 175.510 -0.239 0.000 0.930 19 N CA 1.652 54.692 53.050 -0.017 0.000 0.966 19 N CB -1.231 37.123 38.487 -0.221 0.000 1.090 19 N HN 0.405 nan 8.380 nan 0.000 0.592 20 F N 0.422 120.404 119.950 0.054 0.000 2.579 20 F HA 0.488 5.015 4.527 -0.000 0.000 0.324 20 F C 0.995 176.800 175.800 0.008 0.000 1.058 20 F CA -0.402 57.630 58.000 0.054 0.000 0.944 20 F CB 1.595 40.586 39.000 -0.014 0.000 1.245 20 F HN -0.365 nan 8.300 nan 0.000 0.477 21 T N 0.455 115.138 114.554 0.216 0.000 2.928 21 T HA 0.445 4.795 4.350 -0.000 0.000 0.284 21 T C -0.495 174.135 174.700 -0.116 0.000 1.008 21 T CA -0.441 61.682 62.100 0.038 0.000 1.057 21 T CB 1.063 69.921 68.868 -0.016 0.000 1.018 21 T HN 0.468 nan 8.240 nan 0.000 0.493 22 T N 3.301 117.767 114.554 -0.147 0.000 2.842 22 T HA 0.242 4.592 4.350 -0.000 0.000 0.308 22 T C -0.419 174.236 174.700 -0.075 0.000 1.041 22 T CA -0.649 61.399 62.100 -0.088 0.000 0.964 22 T CB 0.070 68.924 68.868 -0.024 0.000 0.972 22 T HN 0.471 nan 8.240 nan 0.000 0.460 23 H N 4.141 123.291 119.070 0.133 0.000 2.944 23 H HA 0.259 4.815 4.556 -0.000 0.000 0.278 23 H C 0.257 175.683 175.328 0.163 0.000 1.083 23 H CA -0.122 56.012 56.048 0.143 0.000 1.479 23 H CB 0.340 30.186 29.762 0.140 0.000 1.486 23 H HN 0.432 nan 8.280 nan 0.000 0.493 24 L N 1.731 123.115 121.223 0.269 0.000 2.399 24 L HA 0.320 4.660 4.340 -0.000 0.000 0.265 24 L C 0.840 177.893 176.870 0.305 0.000 1.089 24 L CA -0.423 54.576 54.840 0.266 0.000 0.802 24 L CB 1.313 43.495 42.059 0.207 0.000 1.180 24 L HN 0.402 nan 8.230 nan 0.000 0.454 25 S N 0.278 116.187 115.700 0.349 0.000 2.526 25 S HA 0.602 5.072 4.470 -0.000 0.000 0.293 25 S C -1.627 173.350 174.600 0.628 0.000 1.092 25 S CA -0.413 58.046 58.200 0.432 0.000 0.980 25 S CB 1.135 64.535 63.200 0.334 0.000 1.048 25 S HN 0.402 nan 8.310 nan 0.000 0.483 26 Y N 2.482 123.057 120.300 0.459 0.000 2.477 26 Y HA 0.601 5.151 4.550 0.000 0.000 0.347 26 Y C -1.327 174.572 175.900 -0.002 0.000 0.981 26 Y CA -0.888 57.389 58.100 0.294 0.000 1.033 26 Y CB 1.797 40.361 38.460 0.174 0.000 1.245 26 Y HN 0.679 nan 8.280 nan 0.000 0.455 27 D N 7.004 126.590 120.400 -1.357 0.000 2.425 27 D HA 0.439 5.079 4.640 -0.000 0.000 0.240 27 D C -2.342 173.236 176.300 -1.204 0.000 1.080 27 D CA -2.477 50.752 54.000 -1.284 0.000 0.836 27 D CB 2.505 42.251 40.800 -1.757 0.000 1.125 27 D HN 0.268 nan 8.370 nan 0.000 0.525 28 P HA -0.104 nan 4.420 nan 0.000 0.214 28 P C 1.219 178.406 177.300 -0.188 0.000 1.162 28 P CA 1.199 64.160 63.100 -0.231 0.000 0.879 28 P CB 0.205 31.913 31.700 0.012 0.000 0.786 29 T N -1.778 112.662 114.554 -0.190 0.000 2.778 29 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 29 T C 1.726 176.362 174.700 -0.107 0.000 1.050 29 T CA 2.078 64.106 62.100 -0.120 0.000 1.137 29 T CB -0.919 67.879 68.868 -0.117 0.000 0.860 29 T HN 0.191 nan 8.240 nan 0.000 0.468 30 T N 0.094 114.532 114.554 -0.192 0.000 3.044 30 T HA 0.169 4.519 4.350 -0.000 0.000 0.260 30 T C 0.569 175.200 174.700 -0.114 0.000 1.019 30 T CA 0.019 62.053 62.100 -0.111 0.000 0.921 30 T CB -0.457 68.365 68.868 -0.075 0.000 1.053 30 T HN 0.364 nan 8.240 nan 0.000 0.533 31 N N 1.078 119.670 118.700 -0.179 0.000 2.714 31 N HA -0.163 4.577 4.740 -0.000 0.000 0.252 31 N C -0.585 174.956 175.510 0.052 0.000 1.014 31 N CA 0.746 53.792 53.050 -0.006 0.000 0.735 31 N CB -1.237 37.321 38.487 0.119 0.000 0.924 31 N HN 0.643 nan 8.380 nan 0.000 0.540 32 A N 0.121 122.852 122.820 -0.148 0.000 2.479 32 A HA 0.836 5.156 4.320 -0.000 0.000 0.296 32 A C -0.022 177.706 177.584 0.240 0.000 1.121 32 A CA -0.654 51.435 52.037 0.087 0.000 0.743 32 A CB 1.213 20.265 19.000 0.087 0.000 1.323 32 A HN 0.597 nan 8.150 nan 0.000 0.415 33 I N -1.870 118.988 120.570 0.480 0.000 2.646 33 I HA 0.890 5.060 4.170 -0.000 0.000 0.299 33 I C -0.137 176.305 176.117 0.543 0.000 1.036 33 I CA -0.988 60.687 61.300 0.626 0.000 1.074 33 I CB 2.144 40.459 38.000 0.524 0.000 1.258 33 I HN 0.716 nan 8.210 nan 0.000 0.430 34 A N 4.692 127.761 122.820 0.414 0.000 2.355 34 A HA 0.952 5.272 4.320 -0.000 0.000 0.324 34 A C -1.265 176.463 177.584 0.240 0.000 1.117 34 A CA -0.486 51.565 52.037 0.023 0.000 0.785 34 A CB 1.179 19.852 19.000 -0.546 0.000 1.254 34 A HN 1.006 nan 8.150 nan 0.000 0.453 35 Y N -0.905 119.493 120.300 0.163 0.000 2.662 35 Y HA 0.736 5.286 4.550 0.000 0.000 0.334 35 Y C -3.390 172.644 175.900 0.224 0.000 1.185 35 Y CA -2.333 55.872 58.100 0.174 0.000 1.074 35 Y CB 0.975 39.525 38.460 0.149 0.000 1.330 35 Y HN 0.494 nan 8.280 nan 0.000 0.458 36 P HA 0.511 nan 4.420 nan 0.000 0.285 36 P C -1.231 176.297 177.300 0.380 0.000 1.269 36 P CA -0.395 62.880 63.100 0.291 0.000 0.844 36 P CB 2.577 34.382 31.700 0.174 0.000 1.094 37 C N 1.410 120.909 119.300 0.331 0.000 3.018 37 C HA 0.584 5.044 4.460 -0.000 0.000 0.413 37 C C 0.762 175.894 174.990 0.238 0.000 1.015 37 C CA 1.114 60.307 59.018 0.292 0.000 1.233 37 C CB -0.202 27.743 27.740 0.342 0.000 1.630 37 C HN 1.052 nan 8.230 nan 0.000 0.532 38 G N 5.851 114.738 108.800 0.144 0.000 2.582 38 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.288 38 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.288 38 G C 0.236 175.175 174.900 0.065 0.000 1.247 38 G CA 0.571 45.737 45.100 0.110 0.000 0.972 38 G HN 1.007 nan 8.290 nan 0.000 0.557 39 K N 0.784 121.207 120.400 0.037 0.000 2.708 39 K HA 0.484 4.803 4.320 -0.000 0.000 0.219 39 K C 0.091 176.643 176.600 -0.080 0.000 1.068 39 K CA 0.341 56.616 56.287 -0.020 0.000 1.212 39 K CB 0.363 32.847 32.500 -0.027 0.000 0.978 39 K HN 0.301 nan 8.250 nan 0.000 0.475 40 S N 0.378 116.037 115.700 -0.068 0.000 2.599 40 S HA 0.685 5.155 4.470 -0.000 0.000 0.287 40 S C -1.241 173.224 174.600 -0.226 0.000 1.105 40 S CA -0.904 57.143 58.200 -0.256 0.000 0.899 40 S CB 1.993 64.927 63.200 -0.444 0.000 1.100 40 S HN 0.289 nan 8.310 nan 0.000 0.482 41 A N 1.677 124.281 122.820 -0.361 0.000 2.318 41 A HA 0.850 5.170 4.320 -0.000 0.000 0.317 41 A C -1.346 175.976 177.584 -0.437 0.000 1.159 41 A CA -0.433 51.516 52.037 -0.146 0.000 0.799 41 A CB 0.191 19.311 19.000 0.200 0.000 1.194 41 A HN 0.568 nan 8.150 nan 0.000 0.479 42 F N 1.110 120.925 119.950 -0.225 0.000 2.538 42 F HA 0.635 5.162 4.527 0.000 0.000 0.325 42 F C 0.022 175.583 175.800 -0.398 0.000 1.066 42 F CA -0.789 56.993 58.000 -0.363 0.000 0.946 42 F CB 2.506 41.157 39.000 -0.581 0.000 1.199 42 F HN 0.260 nan 8.300 nan 0.000 0.473 43 V N 2.905 122.790 119.914 -0.047 0.000 2.443 43 V HA 0.464 4.584 4.120 -0.000 0.000 0.293 43 V C -0.580 175.521 176.094 0.012 0.000 1.021 43 V CA -0.809 61.478 62.300 -0.021 0.000 0.848 43 V CB 1.685 33.485 31.823 -0.039 0.000 0.998 43 V HN 0.675 nan 8.190 nan 0.000 0.424 44 R N 3.228 123.801 120.500 0.122 0.000 2.310 44 R HA 0.470 4.810 4.340 -0.000 0.000 0.324 44 R C -0.450 175.939 176.300 0.148 0.000 0.955 44 R CA -0.385 55.797 56.100 0.137 0.000 0.830 44 R CB 1.285 31.741 30.300 0.259 0.000 1.154 44 R HN 0.794 nan 8.270 nan 0.000 0.458 45 C N 5.978 125.309 119.300 0.051 0.000 2.632 45 C HA 0.169 4.629 4.460 -0.000 0.000 0.415 45 C C 1.740 176.792 174.990 0.102 0.000 1.332 45 C CA -0.386 58.665 59.018 0.054 0.000 1.874 45 C CB -0.559 27.167 27.740 -0.023 0.000 2.596 45 C HN 0.938 nan 8.230 nan 0.000 0.590 46 L N 3.300 124.617 121.223 0.156 0.000 2.554 46 L HA 0.114 4.454 4.340 -0.000 0.000 0.226 46 L C 0.689 177.616 176.870 0.095 0.000 1.137 46 L CA 0.238 55.184 54.840 0.176 0.000 0.863 46 L CB -0.602 41.631 42.059 0.289 0.000 0.985 46 L HN 0.667 nan 8.230 nan 0.000 0.451 47 D N 1.370 121.812 120.400 0.070 0.000 2.487 47 D HA -0.055 4.585 4.640 -0.000 0.000 0.243 47 D C 0.869 177.178 176.300 0.014 0.000 1.154 47 D CA 0.246 54.272 54.000 0.042 0.000 0.876 47 D CB 1.129 41.951 40.800 0.037 0.000 1.161 47 D HN 0.214 nan 8.370 nan 0.000 0.478 48 D N 1.231 121.632 120.400 0.003 0.000 2.183 48 D HA -0.008 4.632 4.640 -0.000 0.000 0.205 48 D C 1.026 177.321 176.300 -0.008 0.000 0.962 48 D CA 0.116 54.106 54.000 -0.017 0.000 0.849 48 D CB -0.442 40.340 40.800 -0.030 0.000 0.978 48 D HN 0.318 nan 8.370 nan 0.000 0.488 49 G N 1.174 109.976 108.800 0.003 0.000 2.348 49 G HA2 0.356 4.316 3.960 -0.000 0.000 0.312 49 G HA3 0.356 4.316 3.960 -0.000 0.000 0.312 49 G C -0.330 174.581 174.900 0.018 0.000 1.126 49 G CA -0.452 44.653 45.100 0.008 0.000 0.865 49 G HN 0.186 nan 8.290 nan 0.000 0.474 50 D N 0.730 121.142 120.400 0.020 0.000 2.629 50 D HA 0.148 4.788 4.640 -0.000 0.000 0.228 50 D C 0.596 176.924 176.300 0.047 0.000 1.127 50 D CA 0.614 54.635 54.000 0.034 0.000 0.855 50 D CB 0.750 41.572 40.800 0.036 0.000 1.180 50 D HN 0.454 nan 8.370 nan 0.000 0.484 51 S N 1.078 116.818 115.700 0.067 0.000 2.903 51 S HA 0.433 4.903 4.470 -0.000 0.000 0.314 51 S C 0.523 175.203 174.600 0.133 0.000 1.177 51 S CA -0.953 57.296 58.200 0.081 0.000 0.859 51 S CB 1.609 64.850 63.200 0.069 0.000 1.265 51 S HN 0.317 nan 8.310 nan 0.000 0.584 52 K N 0.200 120.690 120.400 0.149 0.000 2.400 52 K HA 0.320 4.640 4.320 -0.000 0.000 0.194 52 K C 0.069 176.888 176.600 0.364 0.000 1.033 52 K CA 0.262 56.684 56.287 0.226 0.000 1.021 52 K CB -0.169 32.427 32.500 0.159 0.000 0.808 52 K HN 0.457 nan 8.250 nan 0.000 0.505 53 V N 5.028 125.074 119.914 0.220 0.000 2.498 53 V HA 0.118 4.238 4.120 -0.000 0.000 0.279 53 V C -2.066 173.931 176.094 -0.161 0.000 1.048 53 V CA -1.767 60.602 62.300 0.116 0.000 0.967 53 V CB 1.101 32.954 31.823 0.049 0.000 0.988 53 V HN 0.091 nan 8.190 nan 0.000 0.473 54 P HA 0.187 nan 4.420 nan 0.000 0.271 54 P C -2.382 174.607 177.300 -0.519 0.000 1.216 54 P CA -1.435 60.997 63.100 -1.114 0.000 0.776 54 P CB 0.681 31.416 31.700 -1.608 0.000 0.881 55 P HA -0.083 nan 4.420 nan 0.000 0.215 55 P C 0.057 177.248 177.300 -0.182 0.000 1.153 55 P CA 1.342 64.327 63.100 -0.192 0.000 0.853 55 P CB 0.234 31.849 31.700 -0.140 0.000 0.788 56 V N -1.167 118.608 119.914 -0.233 0.000 2.808 56 V HA 0.276 4.396 4.120 -0.000 0.000 0.308 56 V C -0.661 175.300 176.094 -0.220 0.000 1.099 56 V CA -0.768 61.437 62.300 -0.159 0.000 0.920 56 V CB 3.005 34.795 31.823 -0.055 0.000 1.014 56 V HN -0.404 nan 8.190 nan 0.000 0.425 57 V N 4.020 123.814 119.914 -0.200 0.000 2.487 57 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 57 V C -0.433 175.573 176.094 -0.148 0.000 1.028 57 V CA -0.478 61.686 62.300 -0.227 0.000 0.860 57 V CB 1.707 33.284 31.823 -0.410 0.000 0.991 57 V HN 0.924 nan 8.190 nan 0.000 0.427 58 Q N 3.968 123.652 119.800 -0.194 0.000 2.339 58 Q HA 0.458 4.798 4.340 -0.000 0.000 0.268 58 Q C -1.777 173.986 176.000 -0.394 0.000 1.027 58 Q CA -0.633 54.919 55.803 -0.419 0.000 0.759 58 Q CB 1.553 30.066 28.738 -0.374 0.000 1.244 58 Q HN 0.662 nan 8.270 nan 0.000 0.464 59 F N 3.601 123.104 119.950 -0.744 0.000 2.411 59 F HA 0.301 4.828 4.527 -0.000 0.000 0.355 59 F C 0.596 176.044 175.800 -0.587 0.000 1.117 59 F CA -0.210 57.276 58.000 -0.858 0.000 1.139 59 F CB 1.431 39.419 39.000 -1.688 0.000 1.120 59 F HN 0.536 nan 8.300 nan 0.000 0.493 60 T N 0.897 114.856 114.554 -0.991 0.000 3.129 60 T HA 0.203 4.553 4.350 -0.000 0.000 0.267 60 T C 1.687 175.810 174.700 -0.960 0.000 1.018 60 T CA 0.303 61.929 62.100 -0.789 0.000 0.903 60 T CB -0.089 68.522 68.868 -0.428 0.000 1.067 60 T HN 0.653 nan 8.240 nan 0.000 0.549 61 G N 0.867 108.530 108.800 -1.895 0.000 2.498 61 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 61 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 61 G C 1.308 175.779 174.900 -0.715 0.000 1.119 61 G CA 0.323 44.693 45.100 -1.216 0.000 0.766 61 G HN 0.616 nan 8.290 nan 0.000 0.552 62 H N 0.887 119.625 119.070 -0.552 0.000 2.563 62 H HA 0.087 4.643 4.556 0.000 0.000 0.272 62 H C 2.249 177.470 175.328 -0.177 0.000 1.005 62 H CA 0.575 56.489 56.048 -0.224 0.000 1.171 62 H CB -0.071 29.605 29.762 -0.145 0.000 1.351 62 H HN 0.423 nan 8.280 nan 0.000 0.602 63 G N 1.114 109.821 108.800 -0.156 0.000 2.634 63 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.318 63 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.318 63 G C 1.470 176.332 174.900 -0.063 0.000 1.207 63 G CA 1.631 46.665 45.100 -0.111 0.000 0.987 63 G HN 0.516 nan 8.290 nan 0.000 0.547 64 S N -0.437 115.240 115.700 -0.038 0.000 2.603 64 S HA 0.490 4.960 4.470 -0.000 0.000 0.220 64 S C 1.041 175.635 174.600 -0.010 0.000 0.967 64 S CA 1.298 59.484 58.200 -0.024 0.000 0.920 64 S CB 0.268 63.455 63.200 -0.021 0.000 0.773 64 S HN 1.459 nan 8.310 nan 0.000 0.529 65 S N 1.483 117.185 115.700 0.003 0.000 2.480 65 S HA 0.507 4.977 4.470 -0.000 0.000 0.286 65 S C -0.080 174.514 174.600 -0.009 0.000 1.180 65 S CA -0.648 57.557 58.200 0.008 0.000 1.075 65 S CB 0.894 64.114 63.200 0.033 0.000 0.996 65 S HN 0.257 nan 8.310 nan 0.000 0.487 66 V N 5.795 125.699 119.914 -0.018 0.000 2.599 66 V HA 0.069 4.189 4.120 -0.000 0.000 0.300 66 V C 0.358 176.406 176.094 -0.076 0.000 1.034 66 V CA -0.157 62.127 62.300 -0.027 0.000 1.115 66 V CB 0.768 32.583 31.823 -0.013 0.000 0.934 66 V HN 0.698 nan 8.190 nan 0.000 0.485 67 V N 5.354 125.208 119.914 -0.100 0.000 2.583 67 V HA 0.211 4.331 4.120 -0.000 0.000 0.287 67 V C 1.243 177.299 176.094 -0.065 0.000 1.051 67 V CA 0.674 62.861 62.300 -0.189 0.000 1.010 67 V CB 1.259 32.980 31.823 -0.170 0.000 0.988 67 V HN 1.131 nan 8.190 nan 0.000 0.478 68 T N -0.629 113.891 114.554 -0.056 0.000 2.969 68 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 68 T C 0.600 175.352 174.700 0.085 0.000 1.021 68 T CA 0.491 62.604 62.100 0.021 0.000 1.003 68 T CB 0.656 69.537 68.868 0.023 0.000 1.040 68 T HN 0.666 nan 8.240 nan 0.000 0.492 69 T N 0.804 115.410 114.554 0.086 0.000 3.047 69 T HA 0.551 4.901 4.350 -0.000 0.000 0.340 69 T C -2.294 172.499 174.700 0.156 0.000 1.421 69 T CA -0.493 61.697 62.100 0.149 0.000 1.090 69 T CB 1.859 70.830 68.868 0.171 0.000 1.292 69 T HN 0.105 nan 8.240 nan 0.000 0.480 70 V N 5.790 125.811 119.914 0.178 0.000 2.525 70 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 70 V C -0.821 175.342 176.094 0.115 0.000 1.034 70 V CA -0.960 61.443 62.300 0.171 0.000 0.863 70 V CB 1.885 33.806 31.823 0.163 0.000 0.999 70 V HN 0.698 nan 8.190 nan 0.000 0.423 71 K N 3.959 124.443 120.400 0.141 0.000 2.397 71 K HA 0.593 4.913 4.320 -0.000 0.000 0.253 71 K C -0.815 175.961 176.600 0.292 0.000 0.932 71 K CA -0.507 55.922 56.287 0.236 0.000 0.795 71 K CB 2.312 35.031 32.500 0.364 0.000 1.159 71 K HN 0.448 nan 8.250 nan 0.000 0.424 72 F N 0.834 120.903 119.950 0.199 0.000 2.506 72 F HA 0.029 4.556 4.527 -0.000 0.000 0.351 72 F C 1.722 177.322 175.800 -0.334 0.000 1.136 72 F CA 0.336 58.331 58.000 -0.009 0.000 1.298 72 F CB 0.811 39.784 39.000 -0.046 0.000 1.145 72 F HN 0.383 nan 8.300 nan 0.000 0.593 73 S N 2.806 118.197 115.700 -0.516 0.000 2.592 73 S HA 0.251 4.721 4.470 -0.000 0.000 0.271 73 S C -1.711 172.524 174.600 -0.609 0.000 1.326 73 S CA -1.253 56.102 58.200 -1.408 0.000 1.024 73 S CB 1.153 63.563 63.200 -1.315 0.000 0.921 73 S HN 0.355 nan 8.310 nan 0.000 0.527 74 P HA 0.148 nan 4.420 nan 0.000 0.227 74 P C -0.119 177.060 177.300 -0.201 0.000 1.161 74 P CA 0.214 63.182 63.100 -0.219 0.000 0.788 74 P CB -0.024 31.617 31.700 -0.099 0.000 0.822 75 I N 1.554 121.956 120.570 -0.280 0.000 2.680 75 I HA -0.045 4.125 4.170 -0.000 0.000 0.286 75 I C 0.770 176.791 176.117 -0.160 0.000 1.144 75 I CA -0.247 60.931 61.300 -0.203 0.000 1.370 75 I CB -1.157 36.699 38.000 -0.239 0.000 1.420 75 I HN 0.000 nan 8.210 nan 0.000 0.540 76 K N 5.240 125.570 120.400 -0.117 0.000 2.466 76 K HA 0.111 4.431 4.320 -0.000 0.000 0.278 76 K C 1.256 177.797 176.600 -0.098 0.000 1.048 76 K CA 0.783 57.008 56.287 -0.104 0.000 1.088 76 K CB 0.101 32.558 32.500 -0.073 0.000 0.884 76 K HN 0.930 nan 8.250 nan 0.000 0.478 77 G N 1.728 110.465 108.800 -0.105 0.000 2.205 77 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.261 77 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.261 77 G C 1.117 175.924 174.900 -0.155 0.000 0.980 77 G CA 0.814 45.849 45.100 -0.108 0.000 0.632 77 G HN 0.693 nan 8.290 nan 0.000 0.533 78 S N -0.206 115.412 115.700 -0.138 0.000 2.402 78 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 78 S C 1.439 175.858 174.600 -0.301 0.000 1.030 78 S CA 1.953 60.079 58.200 -0.124 0.000 1.003 78 S CB -0.375 62.809 63.200 -0.026 0.000 0.813 78 S HN 1.388 nan 8.310 nan 0.000 0.477 79 Q N -0.813 118.819 119.800 -0.280 0.000 2.494 79 Q HA -0.188 4.152 4.340 -0.000 0.000 0.266 79 Q C -1.094 174.644 176.000 -0.437 0.000 1.053 79 Q CA 0.855 56.385 55.803 -0.454 0.000 1.029 79 Q CB -1.989 26.104 28.738 -1.075 0.000 1.423 79 Q HN 0.798 nan 8.270 nan 0.000 0.516 80 Y N -0.675 119.520 120.300 -0.174 0.000 2.457 80 Y HA 0.696 5.246 4.550 -0.000 0.000 0.333 80 Y C 0.280 176.046 175.900 -0.225 0.000 1.119 80 Y CA -0.980 57.024 58.100 -0.161 0.000 1.143 80 Y CB 1.152 39.595 38.460 -0.029 0.000 1.230 80 Y HN 0.023 nan 8.280 nan 0.000 0.469 81 L N 1.534 122.637 121.223 -0.200 0.000 2.479 81 L HA 0.607 4.947 4.340 -0.000 0.000 0.255 81 L C -1.487 175.271 176.870 -0.187 0.000 1.026 81 L CA -0.518 54.129 54.840 -0.321 0.000 0.842 81 L CB 2.295 43.733 42.059 -1.036 0.000 1.444 81 L HN 0.677 nan 8.230 nan 0.000 0.409 82 C N 0.964 120.324 119.300 0.098 0.000 2.481 82 C HA 0.890 5.350 4.460 -0.000 0.000 0.324 82 C C -0.557 174.538 174.990 0.175 0.000 1.170 82 C CA -0.292 58.756 59.018 0.049 0.000 1.361 82 C CB 0.568 28.150 27.740 -0.263 0.000 1.977 82 C HN 0.844 nan 8.230 nan 0.000 0.459 83 S N 4.022 119.951 115.700 0.381 0.000 2.570 83 S HA 0.950 5.420 4.470 -0.000 0.000 0.286 83 S C -0.386 174.444 174.600 0.383 0.000 1.099 83 S CA -0.372 58.087 58.200 0.432 0.000 0.913 83 S CB 1.783 65.411 63.200 0.713 0.000 1.085 83 S HN 1.406 nan 8.310 nan 0.000 0.480 84 G N 0.330 109.221 108.800 0.151 0.000 2.569 84 G HA2 0.712 4.672 3.960 -0.000 0.000 0.300 84 G HA3 0.712 4.672 3.960 -0.000 0.000 0.300 84 G C -1.641 173.183 174.900 -0.126 0.000 1.269 84 G CA -0.800 44.357 45.100 0.095 0.000 0.959 84 G HN 0.881 nan 8.290 nan 0.000 0.478 85 D N -2.009 118.354 120.400 -0.061 0.000 2.614 85 D HA 0.287 4.927 4.640 -0.000 0.000 0.264 85 D C 0.623 176.913 176.300 -0.016 0.000 1.092 85 D CA -0.759 53.177 54.000 -0.107 0.000 1.071 85 D CB 1.070 41.809 40.800 -0.102 0.000 1.443 85 D HN 0.344 nan 8.370 nan 0.000 0.528 86 E N -0.699 119.489 120.200 -0.020 0.000 2.338 86 E HA -0.099 4.251 4.350 -0.000 0.000 0.197 86 E C 1.145 177.751 176.600 0.011 0.000 1.007 86 E CA 1.149 57.546 56.400 -0.005 0.000 0.849 86 E CB -0.087 29.604 29.700 -0.015 0.000 0.774 86 E HN 0.496 nan 8.360 nan 0.000 0.506 87 S N -0.497 115.216 115.700 0.023 0.000 2.650 87 S HA 0.157 4.627 4.470 -0.000 0.000 0.219 87 S C 1.487 176.109 174.600 0.036 0.000 0.960 87 S CA 0.270 58.487 58.200 0.028 0.000 0.925 87 S CB 0.268 63.489 63.200 0.035 0.000 0.775 87 S HN 0.327 nan 8.310 nan 0.000 0.525 88 G N 1.157 109.982 108.800 0.040 0.000 2.147 88 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 88 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 88 G C -0.170 174.770 174.900 0.068 0.000 1.005 88 G CA 0.386 45.512 45.100 0.043 0.000 0.713 88 G HN 0.766 nan 8.290 nan 0.000 0.515 89 K N 0.225 120.685 120.400 0.099 0.000 2.185 89 K HA 0.654 4.974 4.320 -0.000 0.000 0.269 89 K C -0.380 176.338 176.600 0.196 0.000 0.987 89 K CA -0.717 55.651 56.287 0.135 0.000 0.865 89 K CB 1.567 34.149 32.500 0.137 0.000 1.090 89 K HN 0.006 nan 8.250 nan 0.000 0.450 90 V N 6.282 126.304 119.914 0.181 0.000 2.459 90 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 90 V C -0.375 175.813 176.094 0.156 0.000 1.029 90 V CA -0.719 61.703 62.300 0.202 0.000 0.874 90 V CB 1.500 33.421 31.823 0.164 0.000 0.985 90 V HN 0.697 nan 8.190 nan 0.000 0.438 91 I N 4.958 125.655 120.570 0.213 0.000 2.533 91 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 91 I C -0.757 175.468 176.117 0.180 0.000 1.056 91 I CA -0.881 60.488 61.300 0.116 0.000 1.057 91 I CB 2.283 40.347 38.000 0.107 0.000 1.240 91 I HN 0.208 nan 8.210 nan 0.000 0.423 92 V N 6.291 126.234 119.914 0.048 0.000 2.383 92 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 92 V C -0.604 175.565 176.094 0.127 0.000 1.036 92 V CA -0.228 62.115 62.300 0.072 0.000 0.889 92 V CB 0.910 32.772 31.823 0.065 0.000 0.985 92 V HN 0.717 nan 8.190 nan 0.000 0.459 93 W N 3.227 124.524 121.300 -0.006 0.000 3.029 93 W HA 0.892 5.552 4.660 -0.000 0.000 0.339 93 W C -0.325 176.267 176.519 0.121 0.000 1.198 93 W CA -1.378 55.902 57.345 -0.107 0.000 1.148 93 W CB 1.893 30.925 29.460 -0.714 0.000 1.451 93 W HN 0.741 nan 8.180 nan 0.000 0.564 94 G N 0.882 109.854 108.800 0.286 0.000 2.612 94 G HA2 0.733 4.693 3.960 -0.000 0.000 0.298 94 G HA3 0.733 4.693 3.960 -0.000 0.000 0.298 94 G C -1.594 173.408 174.900 0.170 0.000 1.336 94 G CA -0.903 44.179 45.100 -0.031 0.000 0.953 94 G HN 0.731 nan 8.290 nan 0.000 0.482 95 W N 0.279 121.611 121.300 0.053 0.000 2.799 95 W HA 0.813 5.473 4.660 0.000 0.000 0.349 95 W C -1.376 175.172 176.519 0.049 0.000 1.100 95 W CA -1.246 56.167 57.345 0.114 0.000 1.174 95 W CB 1.032 30.610 29.460 0.196 0.000 1.427 95 W HN 0.515 nan 8.180 nan 0.000 0.547 96 T N 2.331 117.053 114.554 0.279 0.000 2.900 96 T HA 0.571 4.921 4.350 -0.000 0.000 0.295 96 T C -1.904 173.106 174.700 0.516 0.000 1.044 96 T CA -0.287 61.905 62.100 0.153 0.000 0.995 96 T CB 2.015 70.915 68.868 0.053 0.000 1.072 96 T HN 0.308 nan 8.240 nan 0.000 0.473 97 F N 2.811 122.924 119.950 0.272 0.000 2.539 97 F HA 0.546 5.073 4.527 -0.000 0.000 0.318 97 F C -1.244 174.641 175.800 0.141 0.000 1.135 97 F CA -1.714 56.453 58.000 0.278 0.000 0.915 97 F CB 1.563 40.822 39.000 0.433 0.000 1.176 97 F HN 0.472 nan 8.300 nan 0.000 0.440 98 D N 5.819 125.990 120.400 -0.383 0.000 2.477 98 D HA 0.265 4.905 4.640 -0.000 0.000 0.239 98 D C 0.742 176.545 176.300 -0.828 0.000 1.102 98 D CA -0.190 53.529 54.000 -0.468 0.000 0.901 98 D CB 0.815 41.508 40.800 -0.179 0.000 1.026 98 D HN 0.593 nan 8.370 nan 0.000 0.515 99 K N 1.876 121.606 120.400 -1.116 0.000 2.032 99 K HA -0.296 4.024 4.320 -0.000 0.000 0.218 99 K C 1.444 177.859 176.600 -0.309 0.000 1.054 99 K CA 1.657 57.465 56.287 -0.798 0.000 0.941 99 K CB 0.025 32.308 32.500 -0.362 0.000 0.720 99 K HN 0.368 nan 8.250 nan 0.000 0.449 100 E N 0.956 121.027 120.200 -0.214 0.000 2.086 100 E HA -0.165 4.185 4.350 -0.000 0.000 0.200 100 E C 1.657 178.212 176.600 -0.076 0.000 1.012 100 E CA 2.043 58.379 56.400 -0.107 0.000 0.812 100 E CB -0.100 29.548 29.700 -0.085 0.000 0.743 100 E HN 0.160 nan 8.360 nan 0.000 0.453 101 S N -0.175 115.470 115.700 -0.092 0.000 2.528 101 S HA 0.005 4.475 4.470 -0.000 0.000 0.219 101 S C 0.545 175.148 174.600 0.004 0.000 0.985 101 S CA 0.573 58.751 58.200 -0.036 0.000 0.914 101 S CB -0.275 62.908 63.200 -0.028 0.000 0.776 101 S HN 0.513 nan 8.310 nan 0.000 0.526 102 N N 1.794 120.492 118.700 -0.003 0.000 2.735 102 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 102 N C -0.731 174.914 175.510 0.226 0.000 1.083 102 N CA 0.773 53.925 53.050 0.171 0.000 0.703 102 N CB -1.588 36.969 38.487 0.116 0.000 1.005 102 N HN 0.465 nan 8.380 nan 0.000 0.550 103 S N -1.652 114.160 115.700 0.186 0.000 2.454 103 S HA 0.734 5.204 4.470 -0.000 0.000 0.306 103 S C -0.089 174.697 174.600 0.310 0.000 1.100 103 S CA -0.762 57.550 58.200 0.187 0.000 1.087 103 S CB 2.456 65.714 63.200 0.097 0.000 1.019 103 S HN 0.147 nan 8.310 nan 0.000 0.480 104 V N 2.914 122.979 119.914 0.252 0.000 2.384 104 V HA 0.444 4.564 4.120 -0.000 0.000 0.287 104 V C -0.090 176.127 176.094 0.204 0.000 1.020 104 V CA -0.555 61.911 62.300 0.277 0.000 0.850 104 V CB 1.298 33.209 31.823 0.148 0.000 0.987 104 V HN 0.948 nan 8.190 nan 0.000 0.436 105 E N 3.103 123.447 120.200 0.239 0.000 2.179 105 E HA 0.613 4.963 4.350 -0.000 0.000 0.275 105 E C -1.378 175.358 176.600 0.226 0.000 0.945 105 E CA -0.560 55.947 56.400 0.178 0.000 0.792 105 E CB 2.521 32.302 29.700 0.134 0.000 1.125 105 E HN 0.440 nan 8.360 nan 0.000 0.397 106 V N 4.263 124.287 119.914 0.184 0.000 2.407 106 V HA 0.282 4.402 4.120 -0.000 0.000 0.291 106 V C -0.425 175.773 176.094 0.172 0.000 1.018 106 V CA -0.950 61.485 62.300 0.225 0.000 0.842 106 V CB 1.434 33.373 31.823 0.193 0.000 0.996 106 V HN 0.602 nan 8.190 nan 0.000 0.426 107 N N 3.070 121.871 118.700 0.169 0.000 2.362 107 N HA 0.502 5.242 4.740 -0.000 0.000 0.298 107 N C -0.800 174.794 175.510 0.140 0.000 1.048 107 N CA -0.438 52.687 53.050 0.125 0.000 0.858 107 N CB 2.770 41.308 38.487 0.085 0.000 1.218 107 N HN 0.348 nan 8.380 nan 0.000 0.488 108 V N 2.661 122.640 119.914 0.108 0.000 2.432 108 V HA 0.095 4.215 4.120 -0.000 0.000 0.271 108 V C 1.646 177.764 176.094 0.039 0.000 1.046 108 V CA -0.072 62.278 62.300 0.083 0.000 0.945 108 V CB 1.380 33.248 31.823 0.075 0.000 0.992 108 V HN 0.709 nan 8.190 nan 0.000 0.471 109 K N 3.474 123.896 120.400 0.036 0.000 2.128 109 K HA 0.080 4.400 4.320 -0.000 0.000 0.202 109 K C 0.553 177.049 176.600 -0.174 0.000 1.050 109 K CA 1.077 57.333 56.287 -0.052 0.000 0.966 109 K CB 0.383 32.837 32.500 -0.077 0.000 0.759 109 K HN 0.803 nan 8.250 nan 0.000 0.454 110 S N 0.249 115.808 115.700 -0.235 0.000 2.552 110 S HA 0.269 4.739 4.470 -0.000 0.000 0.272 110 S C -1.799 172.431 174.600 -0.617 0.000 1.150 110 S CA -1.150 56.767 58.200 -0.473 0.000 0.849 110 S CB 1.578 64.424 63.200 -0.591 0.000 1.113 110 S HN 0.277 nan 8.310 nan 0.000 0.458 111 E N 1.142 120.868 120.200 -0.791 0.000 2.263 111 E HA 0.639 4.989 4.350 -0.000 0.000 0.268 111 E C -1.727 174.479 176.600 -0.658 0.000 0.884 111 E CA -0.848 55.206 56.400 -0.577 0.000 0.766 111 E CB 1.450 31.008 29.700 -0.236 0.000 1.196 111 E HN 0.551 nan 8.360 nan 0.000 0.416 112 F N 1.081 121.036 119.950 0.008 0.000 2.529 112 F HA 0.238 4.765 4.527 -0.000 0.000 0.320 112 F C 0.142 175.948 175.800 0.010 0.000 1.118 112 F CA -1.265 56.734 58.000 -0.001 0.000 0.915 112 F CB 2.293 41.284 39.000 -0.015 0.000 1.161 112 F HN 0.373 nan 8.300 nan 0.000 0.445 113 Q N 2.649 122.558 119.800 0.182 0.000 2.472 113 Q HA 0.240 4.580 4.340 -0.000 0.000 0.227 113 Q C 0.262 176.318 176.000 0.092 0.000 1.156 113 Q CA -0.257 55.610 55.803 0.106 0.000 0.924 113 Q CB 1.032 29.811 28.738 0.068 0.000 1.354 113 Q HN 0.691 nan 8.270 nan 0.000 0.525 114 V N 1.758 121.722 119.914 0.083 0.000 2.825 114 V HA 0.324 4.444 4.120 -0.000 0.000 0.246 114 V C 0.500 176.596 176.094 0.004 0.000 1.068 114 V CA 0.530 62.852 62.300 0.036 0.000 1.088 114 V CB -0.216 31.621 31.823 0.022 0.000 0.733 114 V HN 0.474 nan 8.190 nan 0.000 0.468 115 L N -0.548 120.680 121.223 0.008 0.000 2.354 115 L HA 0.784 5.124 4.340 -0.000 0.000 0.264 115 L C 1.315 178.178 176.870 -0.010 0.000 1.008 115 L CA -0.228 54.603 54.840 -0.015 0.000 0.819 115 L CB 1.833 43.882 42.059 -0.017 0.000 1.339 115 L HN 0.048 nan 8.230 nan 0.000 0.420 116 A N 1.674 124.475 122.820 -0.031 0.000 1.872 116 A HA 0.172 4.492 4.320 -0.000 0.000 0.214 116 A C 1.122 178.698 177.584 -0.012 0.000 1.187 116 A CA 1.302 53.326 52.037 -0.022 0.000 0.614 116 A CB -0.626 18.351 19.000 -0.038 0.000 0.826 116 A HN 0.796 nan 8.150 nan 0.000 0.442 117 G N -0.676 108.113 108.800 -0.018 0.000 2.525 117 G HA2 0.470 4.430 3.960 -0.000 0.000 0.287 117 G HA3 0.470 4.430 3.960 -0.000 0.000 0.287 117 G C -2.578 172.332 174.900 0.018 0.000 1.350 117 G CA -1.126 43.976 45.100 0.003 0.000 1.039 117 G HN 0.263 nan 8.290 nan 0.000 0.513 118 P HA 0.179 nan 4.420 nan 0.000 0.271 118 P C -0.464 176.863 177.300 0.046 0.000 1.218 118 P CA 0.097 63.215 63.100 0.031 0.000 0.780 118 P CB 1.173 32.887 31.700 0.023 0.000 0.901 119 I N 1.981 122.576 120.570 0.041 0.000 2.396 119 I HA 0.045 4.215 4.170 -0.000 0.000 0.292 119 I C 1.656 177.815 176.117 0.070 0.000 0.999 119 I CA 0.147 61.476 61.300 0.049 0.000 1.310 119 I CB 1.219 39.245 38.000 0.042 0.000 1.404 119 I HN 0.408 nan 8.210 nan 0.000 0.496 120 S N 2.093 117.848 115.700 0.091 0.000 2.539 120 S HA 0.235 4.705 4.470 -0.000 0.000 0.226 120 S C 0.111 174.817 174.600 0.177 0.000 1.054 120 S CA -0.172 58.116 58.200 0.146 0.000 0.910 120 S CB 0.400 63.703 63.200 0.172 0.000 0.818 120 S HN 0.694 nan 8.310 nan 0.000 0.490 121 D N -0.600 119.847 120.400 0.078 0.000 2.648 121 D HA 0.597 5.237 4.640 -0.000 0.000 0.244 121 D C -1.811 174.469 176.300 -0.033 0.000 1.244 121 D CA -0.469 53.533 54.000 0.003 0.000 0.772 121 D CB 1.756 42.467 40.800 -0.147 0.000 1.379 121 D HN 0.231 nan 8.370 nan 0.000 0.428 122 I N 0.734 121.282 120.570 -0.037 0.000 2.802 122 I HA 0.492 4.662 4.170 -0.000 0.000 0.298 122 I C -0.854 175.252 176.117 -0.018 0.000 1.176 122 I CA -0.757 60.507 61.300 -0.059 0.000 1.025 122 I CB 2.263 40.222 38.000 -0.068 0.000 1.243 122 I HN 0.195 nan 8.210 nan 0.000 0.424 123 S N 3.613 119.288 115.700 -0.040 0.000 2.548 123 S HA 0.591 5.061 4.470 -0.000 0.000 0.276 123 S C -1.759 172.868 174.600 0.045 0.000 1.129 123 S CA -0.464 57.791 58.200 0.092 0.000 0.931 123 S CB 0.911 64.204 63.200 0.155 0.000 1.068 123 S HN 0.431 nan 8.310 nan 0.000 0.480 124 W N 3.094 124.420 121.300 0.042 0.000 2.359 124 W HA 0.400 5.060 4.660 -0.000 0.000 0.344 124 W C 0.523 177.016 176.519 -0.043 0.000 1.170 124 W CA -0.289 57.048 57.345 -0.014 0.000 1.296 124 W CB 0.543 29.991 29.460 -0.020 0.000 1.197 124 W HN 0.680 nan 8.180 nan 0.000 0.618 125 D N 0.624 121.130 120.400 0.176 0.000 2.387 125 D HA 0.036 4.676 4.640 -0.000 0.000 0.251 125 D C 0.909 177.223 176.300 0.024 0.000 1.141 125 D CA -0.609 53.417 54.000 0.044 0.000 0.987 125 D CB 0.312 41.090 40.800 -0.037 0.000 1.116 125 D HN 0.441 nan 8.370 nan 0.000 0.491 126 F N -0.852 119.076 119.950 -0.037 0.000 2.408 126 F HA 0.026 4.553 4.527 0.000 0.000 0.300 126 F C 1.387 177.134 175.800 -0.089 0.000 1.090 126 F CA 0.691 58.655 58.000 -0.059 0.000 1.427 126 F CB -0.478 38.479 39.000 -0.072 0.000 1.070 126 F HN 0.265 nan 8.300 nan 0.000 0.549 127 E N 0.632 120.378 120.200 -0.756 0.000 2.489 127 E HA 0.149 4.499 4.350 -0.000 0.000 0.193 127 E C 1.634 177.972 176.600 -0.437 0.000 1.057 127 E CA 0.336 56.372 56.400 -0.607 0.000 0.866 127 E CB -0.115 29.168 29.700 -0.695 0.000 0.916 127 E HN 0.591 nan 8.360 nan 0.000 0.500 128 G N 2.363 110.957 108.800 -0.343 0.000 2.249 128 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.273 128 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.273 128 G C 0.691 175.224 174.900 -0.611 0.000 1.036 128 G CA 0.746 45.603 45.100 -0.405 0.000 0.824 128 G HN 0.302 nan 8.290 nan 0.000 0.504 129 R N -1.397 118.827 120.500 -0.460 0.000 2.521 129 R HA 0.228 4.568 4.340 -0.000 0.000 0.289 129 R C 0.989 177.219 176.300 -0.117 0.000 0.936 129 R CA -0.107 55.599 56.100 -0.657 0.000 1.089 129 R CB 0.839 30.890 30.300 -0.415 0.000 1.348 129 R HN 0.387 nan 8.270 nan 0.000 0.536 130 R N 0.680 121.168 120.500 -0.020 0.000 2.795 130 R HA 0.581 4.921 4.340 -0.000 0.000 0.275 130 R C -1.170 175.126 176.300 -0.007 0.000 0.981 130 R CA -0.756 55.367 56.100 0.038 0.000 0.917 130 R CB 2.145 32.480 30.300 0.059 0.000 1.202 130 R HN -0.137 nan 8.270 nan 0.000 0.469 131 L N 1.038 122.230 121.223 -0.052 0.000 2.410 131 L HA 0.483 4.823 4.340 -0.000 0.000 0.270 131 L C -0.816 175.977 176.870 -0.128 0.000 0.983 131 L CA -1.013 53.731 54.840 -0.159 0.000 0.822 131 L CB 2.340 44.241 42.059 -0.263 0.000 1.285 131 L HN 0.689 nan 8.230 nan 0.000 0.409 132 c N 4.496 122.992 118.600 -0.173 0.000 2.239 132 c HA 0.719 5.289 4.570 -0.000 0.000 0.325 132 c C -0.003 173.915 174.090 -0.286 0.000 1.231 132 c CA -0.365 55.779 56.329 -0.309 0.000 1.652 132 c CB 0.076 42.428 42.510 -0.263 0.000 2.284 132 c HN 0.559 nan 8.230 nan 0.000 0.499 133 V N 7.021 126.748 119.914 -0.312 0.000 2.435 133 V HA 0.668 4.788 4.120 -0.000 0.000 0.290 133 V C 0.046 176.022 176.094 -0.197 0.000 1.030 133 V CA -0.241 61.942 62.300 -0.195 0.000 0.881 133 V CB 1.520 33.266 31.823 -0.128 0.000 0.983 133 V HN 0.774 nan 8.190 nan 0.000 0.445 134 V N 3.373 123.216 119.914 -0.117 0.000 3.078 134 V HA 1.044 5.164 4.120 -0.000 0.000 0.311 134 V C 0.412 176.509 176.094 0.005 0.000 1.138 134 V CA 0.624 62.878 62.300 -0.077 0.000 1.007 134 V CB 2.219 33.981 31.823 -0.101 0.000 1.045 134 V HN 1.096 nan 8.190 nan 0.000 0.432 135 G N 2.660 111.496 108.800 0.059 0.000 2.552 135 G HA2 0.315 4.275 3.960 -0.000 0.000 0.137 135 G HA3 0.315 4.275 3.960 -0.000 0.000 0.137 135 G C -1.195 173.836 174.900 0.219 0.000 1.135 135 G CA -0.003 45.163 45.100 0.111 0.000 1.047 135 G HN 0.659 nan 8.290 nan 0.000 0.501 136 E N 0.153 120.466 120.200 0.189 0.000 2.402 136 E HA 0.540 4.890 4.350 -0.000 0.000 0.244 136 E C -0.068 176.548 176.600 0.026 0.000 0.945 136 E CA -0.436 56.117 56.400 0.256 0.000 0.774 136 E CB 0.676 30.533 29.700 0.262 0.000 1.296 136 E HN 0.800 nan 8.360 nan 0.000 0.414 137 G N 2.089 110.771 108.800 -0.197 0.000 2.509 137 G HA2 0.131 4.091 3.960 -0.000 0.000 0.328 137 G HA3 0.131 4.091 3.960 -0.000 0.000 0.328 137 G C 0.551 175.245 174.900 -0.343 0.000 1.194 137 G CA -0.403 44.559 45.100 -0.230 0.000 0.967 137 G HN 0.373 nan 8.290 nan 0.000 0.488 138 R N -0.297 120.085 120.500 -0.196 0.000 2.070 138 R HA -0.068 4.272 4.340 -0.000 0.000 0.233 138 R C 1.518 177.693 176.300 -0.208 0.000 1.137 138 R CA 2.013 58.018 56.100 -0.158 0.000 0.945 138 R CB -0.338 29.913 30.300 -0.082 0.000 0.845 138 R HN 0.669 nan 8.270 nan 0.000 0.430 139 D N -0.678 119.610 120.400 -0.186 0.000 2.259 139 D HA 0.043 4.683 4.640 -0.000 0.000 0.216 139 D C 0.245 176.418 176.300 -0.211 0.000 0.961 139 D CA 0.533 54.441 54.000 -0.153 0.000 0.878 139 D CB 0.294 41.044 40.800 -0.083 0.000 1.009 139 D HN 0.258 nan 8.370 nan 0.000 0.490 140 N N -1.045 117.495 118.700 -0.268 0.000 2.405 140 N HA 0.304 5.044 4.740 -0.000 0.000 0.285 140 N C -0.724 174.558 175.510 -0.381 0.000 1.262 140 N CA -0.596 52.313 53.050 -0.235 0.000 0.773 140 N CB 2.057 40.501 38.487 -0.072 0.000 1.490 140 N HN -0.196 nan 8.380 nan 0.000 0.486 141 F N 0.107 120.069 119.950 0.021 0.000 2.678 141 F HA 0.434 4.961 4.527 0.000 0.000 0.305 141 F C 1.098 176.863 175.800 -0.057 0.000 1.090 141 F CA -0.294 57.704 58.000 -0.003 0.000 1.272 141 F CB 1.130 40.138 39.000 0.012 0.000 1.060 141 F HN 0.538 nan 8.300 nan 0.000 0.576 142 G N -0.145 108.683 108.800 0.047 0.000 2.328 142 G HA2 0.474 4.434 3.960 -0.000 0.000 0.295 142 G HA3 0.474 4.434 3.960 -0.000 0.000 0.295 142 G C -1.902 172.894 174.900 -0.173 0.000 1.413 142 G CA -0.243 44.800 45.100 -0.095 0.000 0.817 142 G HN 0.275 nan 8.290 nan 0.000 0.546 143 V N -2.999 116.721 119.914 -0.323 0.000 3.232 143 V HA 0.910 5.030 4.120 -0.000 0.000 0.303 143 V C -1.496 174.280 176.094 -0.531 0.000 1.311 143 V CA -1.474 60.642 62.300 -0.308 0.000 1.061 143 V CB 1.866 33.604 31.823 -0.141 0.000 1.085 143 V HN 0.939 nan 8.190 nan 0.000 0.447 144 F N 2.614 122.507 119.950 -0.095 0.000 2.499 144 F HA 0.865 5.392 4.527 -0.000 0.000 0.333 144 F C 0.036 175.787 175.800 -0.082 0.000 1.138 144 F CA -0.513 57.418 58.000 -0.115 0.000 0.945 144 F CB 1.859 40.825 39.000 -0.057 0.000 1.181 144 F HN 0.769 nan 8.300 nan 0.000 0.435 145 I N -1.553 119.042 120.570 0.042 0.000 3.191 145 I HA 0.668 4.838 4.170 -0.000 0.000 0.313 145 I C -0.785 175.312 176.117 -0.034 0.000 1.193 145 I CA -1.028 60.240 61.300 -0.053 0.000 0.968 145 I CB 2.133 40.001 38.000 -0.222 0.000 1.262 145 I HN 0.188 nan 8.210 nan 0.000 0.456 146 S N 2.336 117.996 115.700 -0.066 0.000 2.545 146 S HA 0.119 4.589 4.470 -0.000 0.000 0.275 146 S C 0.572 175.234 174.600 0.102 0.000 1.299 146 S CA -0.631 57.604 58.200 0.058 0.000 1.048 146 S CB 0.725 63.953 63.200 0.046 0.000 0.938 146 S HN 0.911 nan 8.310 nan 0.000 0.496 147 W N 4.261 125.541 121.300 -0.035 0.000 2.465 147 W HA -0.072 4.588 4.660 0.000 0.000 0.268 147 W C 0.494 177.113 176.519 0.167 0.000 1.242 147 W CA 1.585 58.952 57.345 0.035 0.000 1.248 147 W CB -0.804 28.680 29.460 0.039 0.000 1.118 147 W HN 0.793 nan 8.180 nan 0.000 0.587 148 D N 0.677 120.917 120.400 -0.266 0.000 2.431 148 D HA -0.075 4.565 4.640 -0.000 0.000 0.235 148 D C 1.897 178.213 176.300 0.026 0.000 0.980 148 D CA 1.725 55.503 54.000 -0.369 0.000 0.912 148 D CB -0.671 39.779 40.800 -0.585 0.000 1.056 148 D HN 0.199 nan 8.370 nan 0.000 0.494 149 S N -0.951 114.751 115.700 0.004 0.000 2.483 149 S HA 0.371 4.841 4.470 -0.000 0.000 0.221 149 S C 1.948 176.442 174.600 -0.175 0.000 1.030 149 S CA 0.776 58.977 58.200 0.002 0.000 0.925 149 S CB 0.183 63.365 63.200 -0.030 0.000 0.795 149 S HN 0.580 nan 8.310 nan 0.000 0.511 150 G N 1.796 110.239 108.800 -0.595 0.000 2.179 150 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 150 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 150 G C -0.179 174.416 174.900 -0.508 0.000 0.977 150 G CA 0.021 44.380 45.100 -1.236 0.000 0.641 150 G HN 0.537 nan 8.290 nan 0.000 0.533 151 N N 0.792 119.337 118.700 -0.259 0.000 2.441 151 N HA 0.345 5.085 4.740 -0.000 0.000 0.251 151 N C 0.562 176.012 175.510 -0.100 0.000 1.242 151 N CA 0.728 53.699 53.050 -0.132 0.000 0.898 151 N CB 1.203 39.650 38.487 -0.067 0.000 1.100 151 N HN 0.327 nan 8.380 nan 0.000 0.443 152 S N 1.072 116.741 115.700 -0.053 0.000 2.549 152 S HA 0.150 4.620 4.470 -0.000 0.000 0.283 152 S C 0.859 175.483 174.600 0.040 0.000 1.320 152 S CA -0.320 57.882 58.200 0.002 0.000 1.058 152 S CB 0.026 63.240 63.200 0.023 0.000 0.882 152 S HN 0.432 nan 8.310 nan 0.000 0.498 153 L N 4.703 125.988 121.223 0.104 0.000 3.168 153 L HA 0.473 4.813 4.340 -0.000 0.000 0.277 153 L C 0.877 177.831 176.870 0.141 0.000 1.245 153 L CA -0.111 54.795 54.840 0.111 0.000 1.035 153 L CB -0.279 41.870 42.059 0.151 0.000 1.399 153 L HN 0.924 nan 8.230 nan 0.000 0.580 154 G N -0.179 108.728 108.800 0.178 0.000 2.352 154 G HA2 0.134 4.094 3.960 -0.000 0.000 0.283 154 G HA3 0.134 4.094 3.960 -0.000 0.000 0.283 154 G C -1.814 173.290 174.900 0.341 0.000 1.308 154 G CA -0.680 44.540 45.100 0.200 0.000 0.892 154 G HN -0.096 nan 8.290 nan 0.000 0.504 155 E N -0.610 119.847 120.200 0.429 0.000 2.275 155 E HA 0.510 4.860 4.350 -0.000 0.000 0.270 155 E C -0.872 176.054 176.600 0.542 0.000 0.882 155 E CA -0.612 56.027 56.400 0.399 0.000 0.758 155 E CB 2.645 32.507 29.700 0.269 0.000 1.195 155 E HN 0.416 nan 8.360 nan 0.000 0.419 156 V N 2.374 122.493 119.914 0.342 0.000 2.461 156 V HA 0.386 4.506 4.120 -0.000 0.000 0.275 156 V C 0.056 176.424 176.094 0.457 0.000 1.047 156 V CA 0.253 62.766 62.300 0.355 0.000 0.955 156 V CB 1.167 33.011 31.823 0.035 0.000 0.988 156 V HN 0.629 nan 8.190 nan 0.000 0.471 157 S N 2.054 118.132 115.700 0.631 0.000 2.656 157 S HA 0.771 5.241 4.470 -0.000 0.000 0.273 157 S C 0.670 175.454 174.600 0.308 0.000 1.168 157 S CA 0.052 58.482 58.200 0.383 0.000 0.817 157 S CB 1.751 65.090 63.200 0.232 0.000 1.146 157 S HN 1.418 nan 8.310 nan 0.000 0.475 158 G N 0.731 109.566 108.800 0.058 0.000 2.176 158 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.253 158 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.253 158 G C -0.326 174.462 174.900 -0.187 0.000 0.979 158 G CA 0.067 45.121 45.100 -0.076 0.000 0.641 158 G HN 0.718 nan 8.290 nan 0.000 0.530 159 H N 0.155 119.270 119.070 0.075 0.000 2.489 159 H HA 0.567 5.123 4.556 -0.000 0.000 0.343 159 H C 0.905 176.160 175.328 -0.122 0.000 1.086 159 H CA 0.255 56.259 56.048 -0.073 0.000 1.198 159 H CB 1.928 31.592 29.762 -0.163 0.000 1.490 159 H HN 0.326 nan 8.280 nan 0.000 0.504 160 S N 1.788 117.439 115.700 -0.082 0.000 2.603 160 S HA 0.156 4.626 4.470 -0.000 0.000 0.232 160 S C 0.464 174.971 174.600 -0.154 0.000 1.016 160 S CA -0.342 57.866 58.200 0.013 0.000 0.976 160 S CB 0.835 64.064 63.200 0.048 0.000 0.921 160 S HN 0.441 nan 8.310 nan 0.000 0.516 161 Q N 1.558 121.025 119.800 -0.555 0.000 2.495 161 Q HA 0.438 4.778 4.340 -0.000 0.000 0.287 161 Q C -0.817 174.671 176.000 -0.853 0.000 1.078 161 Q CA -0.928 54.595 55.803 -0.467 0.000 0.793 161 Q CB 1.593 30.247 28.738 -0.141 0.000 1.459 161 Q HN 0.376 nan 8.270 nan 0.000 0.422 162 R N 1.577 121.929 120.500 -0.247 0.000 2.538 162 R HA -0.019 4.321 4.340 -0.000 0.000 0.273 162 R C -0.836 175.382 176.300 -0.138 0.000 0.967 162 R CA 0.564 56.658 56.100 -0.011 0.000 1.101 162 R CB -0.111 30.294 30.300 0.175 0.000 0.908 162 R HN 0.629 nan 8.270 nan 0.000 0.411 163 I N 4.716 125.226 120.570 -0.101 0.000 2.331 163 I HA 0.063 4.233 4.170 -0.000 0.000 0.292 163 I C 0.776 176.892 176.117 -0.002 0.000 0.998 163 I CA -0.593 60.591 61.300 -0.192 0.000 1.267 163 I CB 1.670 39.502 38.000 -0.281 0.000 1.386 163 I HN 0.691 nan 8.210 nan 0.000 0.476 164 N N 4.704 123.427 118.700 0.040 0.000 2.392 164 N HA 0.249 4.989 4.740 -0.000 0.000 0.177 164 N C 0.075 175.693 175.510 0.179 0.000 1.066 164 N CA 0.241 53.382 53.050 0.151 0.000 0.895 164 N CB 0.901 39.495 38.487 0.179 0.000 0.988 164 N HN 0.715 nan 8.380 nan 0.000 0.457 165 A N -0.309 122.554 122.820 0.071 0.000 2.583 165 A HA 0.586 4.906 4.320 -0.000 0.000 0.292 165 A C -1.123 176.466 177.584 0.009 0.000 1.045 165 A CA -0.729 51.304 52.037 -0.006 0.000 0.672 165 A CB 0.429 19.423 19.000 -0.010 0.000 1.283 165 A HN 0.257 nan 8.150 nan 0.000 0.419 166 c N -0.704 117.895 118.600 -0.002 0.000 3.323 166 c HA 1.015 5.585 4.570 -0.000 0.000 0.324 166 c C -0.656 173.557 174.090 0.205 0.000 1.428 166 c CA -0.554 55.830 56.329 0.091 0.000 1.368 166 c CB 1.137 43.652 42.510 0.008 0.000 1.731 166 c HN 1.368 nan 8.230 nan 0.000 0.455 167 H N -0.509 118.650 119.070 0.149 0.000 3.112 167 H HA 0.527 5.083 4.556 -0.000 0.000 0.347 167 H C -1.998 173.461 175.328 0.218 0.000 1.188 167 H CA -0.629 55.550 56.048 0.219 0.000 1.240 167 H CB 1.460 31.440 29.762 0.363 0.000 1.920 167 H HN 0.769 nan 8.280 nan 0.000 0.535 168 L N 4.233 125.305 121.223 -0.252 0.000 2.307 168 L HA 0.293 4.633 4.340 -0.000 0.000 0.284 168 L C 0.208 176.598 176.870 -0.801 0.000 1.023 168 L CA -0.676 53.917 54.840 -0.411 0.000 0.810 168 L CB 1.590 43.494 42.059 -0.258 0.000 1.231 168 L HN 0.450 nan 8.230 nan 0.000 0.423 169 K N 2.975 122.655 120.400 -1.199 0.000 2.472 169 K HA -0.030 4.289 4.320 -0.000 0.000 0.280 169 K C 0.220 176.509 176.600 -0.519 0.000 1.028 169 K CA -0.058 55.422 56.287 -1.346 0.000 1.045 169 K CB 0.612 32.329 32.500 -1.304 0.000 0.902 169 K HN 0.494 nan 8.250 nan 0.000 0.478 170 Q N 2.485 122.084 119.800 -0.334 0.000 2.292 170 Q HA 0.048 4.388 4.340 -0.000 0.000 0.247 170 Q C -0.614 175.193 176.000 -0.321 0.000 0.911 170 Q CA 0.055 55.786 55.803 -0.120 0.000 0.948 170 Q CB -0.198 28.526 28.738 -0.024 0.000 1.093 170 Q HN 0.694 nan 8.270 nan 0.000 0.428 171 S N -1.651 113.818 115.700 -0.385 0.000 2.595 171 S HA 0.587 5.057 4.470 -0.000 0.000 0.270 171 S C -0.848 173.558 174.600 -0.324 0.000 1.145 171 S CA -1.131 56.668 58.200 -0.670 0.000 0.825 171 S CB 1.859 64.782 63.200 -0.463 0.000 1.107 171 S HN 0.180 nan 8.310 nan 0.000 0.461 172 R N 0.963 121.292 120.500 -0.286 0.000 2.459 172 R HA 0.689 5.029 4.340 -0.000 0.000 0.281 172 R C -2.358 173.875 176.300 -0.111 0.000 1.050 172 R CA -1.416 54.633 56.100 -0.085 0.000 1.055 172 R CB 0.276 30.566 30.300 -0.017 0.000 1.045 172 R HN 0.540 nan 8.270 nan 0.000 0.495 179 V N 1.502 121.504 119.914 0.147 0.000 2.789 179 V HA 0.990 5.110 4.120 -0.000 0.000 0.311 179 V C 0.564 176.680 176.094 0.037 0.000 1.073 179 V CA 0.475 62.863 62.300 0.147 0.000 0.921 179 V CB 1.897 33.790 31.823 0.117 0.000 1.009 179 V HN 1.537 nan 8.190 nan 0.000 0.426 180 G N 2.533 111.380 108.800 0.079 0.000 2.731 180 G HA2 0.448 4.408 3.960 -0.000 0.000 0.309 180 G HA3 0.448 4.408 3.960 -0.000 0.000 0.309 180 G C -1.407 173.520 174.900 0.045 0.000 1.273 180 G CA -0.566 44.542 45.100 0.013 0.000 0.798 180 G HN 0.501 nan 8.290 nan 0.000 0.509 181 D N -0.189 120.230 120.400 0.030 0.000 2.369 181 D HA 0.314 4.954 4.640 -0.000 0.000 0.241 181 D C 0.438 176.695 176.300 -0.072 0.000 1.271 181 D CA 0.682 54.673 54.000 -0.014 0.000 0.942 181 D CB 0.655 41.471 40.800 0.026 0.000 1.129 181 D HN 0.473 nan 8.370 nan 0.000 0.476 182 D N -0.507 119.786 120.400 -0.178 0.000 2.837 182 D HA -0.164 4.476 4.640 -0.000 0.000 0.230 182 D C 0.630 176.886 176.300 -0.073 0.000 1.152 182 D CA 1.407 55.323 54.000 -0.139 0.000 0.736 182 D CB -1.310 39.442 40.800 -0.080 0.000 1.084 182 D HN 0.758 nan 8.370 nan 0.000 0.429 183 G N 0.022 108.775 108.800 -0.077 0.000 2.390 183 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.299 183 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.299 183 G C 0.236 175.187 174.900 0.085 0.000 1.002 183 G CA 1.031 46.140 45.100 0.014 0.000 0.979 183 G HN 1.346 nan 8.290 nan 0.000 0.513 184 S N -1.667 114.081 115.700 0.079 0.000 2.489 184 S HA 0.791 5.261 4.470 -0.000 0.000 0.291 184 S C -0.275 174.430 174.600 0.176 0.000 1.151 184 S CA -0.779 57.479 58.200 0.096 0.000 1.082 184 S CB 3.121 66.345 63.200 0.040 0.000 1.019 184 S HN 0.874 nan 8.310 nan 0.000 0.492 185 V N 3.078 123.066 119.914 0.124 0.000 2.638 185 V HA 0.591 4.711 4.120 -0.000 0.000 0.306 185 V C -0.782 175.324 176.094 0.020 0.000 1.052 185 V CA -0.650 61.726 62.300 0.127 0.000 0.885 185 V CB 1.890 33.779 31.823 0.110 0.000 0.999 185 V HN 0.887 nan 8.190 nan 0.000 0.424 186 V N 4.783 124.746 119.914 0.082 0.000 2.588 186 V HA 0.520 4.640 4.120 -0.000 0.000 0.304 186 V C -0.912 175.165 176.094 -0.029 0.000 1.042 186 V CA -0.632 61.633 62.300 -0.058 0.000 0.877 186 V CB 1.937 33.702 31.823 -0.096 0.000 0.996 186 V HN 0.709 nan 8.190 nan 0.000 0.425 187 F N 5.071 124.792 119.950 -0.383 0.000 2.443 187 F HA 0.806 5.333 4.527 0.000 0.000 0.335 187 F C -0.932 174.666 175.800 -0.336 0.000 1.104 187 F CA -0.522 57.358 58.000 -0.199 0.000 1.013 187 F CB 1.183 40.068 39.000 -0.192 0.000 1.136 187 F HN 0.428 nan 8.300 nan 0.000 0.470 188 Y N 2.361 122.387 120.300 -0.457 0.000 2.633 188 Y HA 0.614 5.164 4.550 -0.000 0.000 0.339 188 Y C -0.585 175.083 175.900 -0.386 0.000 1.045 188 Y CA -1.101 56.843 58.100 -0.261 0.000 1.098 188 Y CB 1.577 40.033 38.460 -0.007 0.000 1.296 188 Y HN 0.451 nan 8.280 nan 0.000 0.494 189 Q N 0.064 119.857 119.800 -0.012 0.000 2.423 189 Q HA 0.762 5.102 4.340 -0.000 0.000 0.278 189 Q C -0.473 175.369 176.000 -0.263 0.000 1.097 189 Q CA -0.880 54.854 55.803 -0.114 0.000 0.809 189 Q CB 3.374 32.072 28.738 -0.066 0.000 1.391 189 Q HN 0.978 nan 8.270 nan 0.000 0.428 190 G N 1.065 109.576 108.800 -0.482 0.000 2.368 190 G HA2 0.153 4.113 3.960 -0.000 0.000 0.269 190 G HA3 0.153 4.113 3.960 -0.000 0.000 0.269 190 G C -3.007 171.353 174.900 -0.900 0.000 1.291 190 G CA -0.770 43.847 45.100 -0.805 0.000 0.903 190 G HN 0.464 nan 8.290 nan 0.000 0.483 191 P HA 0.469 nan 4.420 nan 0.000 0.276 191 P C -2.671 174.350 177.300 -0.464 0.000 1.244 191 P CA -0.842 61.682 63.100 -0.959 0.000 0.801 191 P CB 0.089 31.432 31.700 -0.595 0.000 1.006 192 P HA 0.235 nan 4.420 nan 0.000 0.271 192 P C -0.614 176.448 177.300 -0.397 0.000 1.226 192 P CA -0.032 62.891 63.100 -0.294 0.000 0.765 192 P CB -0.096 31.531 31.700 -0.121 0.000 0.835 193 F N 3.136 122.867 119.950 -0.365 0.000 2.557 193 F HA 0.164 4.691 4.527 -0.000 0.000 0.384 193 F C 1.215 176.876 175.800 -0.232 0.000 1.057 193 F CA 0.677 58.344 58.000 -0.555 0.000 1.169 193 F CB 0.261 38.315 39.000 -1.576 0.000 1.070 193 F HN 0.114 nan 8.300 nan 0.000 0.554 194 K N 3.382 123.850 120.400 0.113 0.000 2.426 194 K HA 0.382 4.702 4.320 -0.000 0.000 0.251 194 K C -1.021 175.802 176.600 0.370 0.000 0.941 194 K CA -1.004 55.446 56.287 0.272 0.000 0.808 194 K CB 1.163 33.751 32.500 0.146 0.000 1.265 194 K HN 0.303 nan 8.250 nan 0.000 0.432 195 F N 1.596 121.690 119.950 0.240 0.000 2.623 195 F HA -0.052 4.475 4.527 -0.000 0.000 0.386 195 F C 1.132 176.929 175.800 -0.006 0.000 1.068 195 F CA 1.268 59.265 58.000 -0.005 0.000 1.265 195 F CB 0.719 39.723 39.000 0.007 0.000 1.026 195 F HN 0.554 nan 8.300 nan 0.000 0.568 196 S N 3.897 119.159 115.700 -0.729 0.000 2.891 196 S HA 0.670 5.140 4.470 -0.000 0.000 0.247 196 S C -0.113 174.100 174.600 -0.645 0.000 1.063 196 S CA 0.446 58.409 58.200 -0.396 0.000 0.857 196 S CB -0.131 63.033 63.200 -0.060 0.000 0.800 196 S HN 1.103 nan 8.310 nan 0.000 0.540 197 A N 0.440 122.686 122.820 -0.957 0.000 2.604 197 A HA 0.718 5.038 4.320 -0.000 0.000 0.295 197 A C -0.730 176.524 177.584 -0.550 0.000 1.067 197 A CA -0.361 51.297 52.037 -0.632 0.000 0.683 197 A CB 1.331 20.208 19.000 -0.206 0.000 1.281 197 A HN 0.327 nan 8.150 nan 0.000 0.407 198 S N 0.060 115.697 115.700 -0.106 0.000 2.607 198 S HA 0.739 5.209 4.470 -0.000 0.000 0.303 198 S C -1.653 172.969 174.600 0.037 0.000 1.086 198 S CA -0.349 57.877 58.200 0.043 0.000 0.995 198 S CB 1.568 64.913 63.200 0.243 0.000 1.084 198 S HN 0.799 nan 8.310 nan 0.000 0.507 199 D N 1.592 122.019 120.400 0.044 0.000 2.365 199 D HA 0.275 4.915 4.640 -0.000 0.000 0.235 199 D C -0.862 175.495 176.300 0.095 0.000 1.368 199 D CA -0.240 53.817 54.000 0.096 0.000 1.001 199 D CB 0.785 41.710 40.800 0.210 0.000 1.364 199 D HN 0.607 nan 8.370 nan 0.000 0.577 200 R N 2.174 122.698 120.500 0.040 0.000 2.816 200 R HA 0.158 4.498 4.340 -0.000 0.000 0.382 200 R C 0.860 177.147 176.300 -0.022 0.000 1.140 200 R CA -0.149 55.969 56.100 0.029 0.000 1.050 200 R CB 0.975 31.277 30.300 0.004 0.000 1.396 200 R HN 0.294 nan 8.270 nan 0.000 0.583 201 T N -1.898 112.609 114.554 -0.078 0.000 3.028 201 T HA 0.056 4.405 4.350 -0.000 0.000 0.250 201 T C 1.224 175.723 174.700 -0.336 0.000 0.979 201 T CA 0.288 62.241 62.100 -0.244 0.000 1.004 201 T CB 0.264 68.890 68.868 -0.404 0.000 1.120 201 T HN 0.283 nan 8.240 nan 0.000 0.482 202 H N 0.231 119.254 119.070 -0.078 0.000 2.535 202 H HA 0.241 4.797 4.556 -0.000 0.000 0.273 202 H C 0.145 175.445 175.328 -0.046 0.000 0.983 202 H CA 0.650 56.620 56.048 -0.131 0.000 1.238 202 H CB 0.127 29.671 29.762 -0.363 0.000 1.412 202 H HN 0.400 nan 8.280 nan 0.000 0.562 203 H N 1.092 120.284 119.070 0.202 0.000 2.495 203 H HA 0.194 4.750 4.556 -0.000 0.000 0.348 203 H C 0.270 175.621 175.328 0.039 0.000 1.113 203 H CA -0.636 55.496 56.048 0.139 0.000 1.195 203 H CB 2.129 31.977 29.762 0.143 0.000 1.521 203 H HN 0.051 nan 8.280 nan 0.000 0.509 204 K N 2.359 122.838 120.400 0.132 0.000 2.469 204 K HA -0.033 4.287 4.320 -0.000 0.000 0.274 204 K C 0.115 176.711 176.600 -0.005 0.000 0.983 204 K CA -0.222 56.083 56.287 0.029 0.000 0.974 204 K CB 0.597 33.096 32.500 -0.002 0.000 0.913 204 K HN 0.696 nan 8.250 nan 0.000 0.493 205 Q N 2.213 121.994 119.800 -0.032 0.000 2.330 205 Q HA 0.152 4.492 4.340 -0.000 0.000 0.279 205 Q C 0.677 176.615 176.000 -0.104 0.000 1.024 205 Q CA 0.362 56.131 55.803 -0.056 0.000 0.900 205 Q CB 0.636 29.345 28.738 -0.049 0.000 1.221 205 Q HN 0.874 nan 8.270 nan 0.000 0.396 206 G N 1.954 110.663 108.800 -0.151 0.000 2.212 206 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.266 206 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.266 206 G C 0.230 174.853 174.900 -0.461 0.000 0.978 206 G CA 0.367 45.316 45.100 -0.251 0.000 0.632 206 G HN 1.229 nan 8.290 nan 0.000 0.537 207 S N -0.186 115.305 115.700 -0.348 0.000 2.632 207 S HA 0.721 5.191 4.470 -0.000 0.000 0.267 207 S C -0.133 174.156 174.600 -0.518 0.000 1.276 207 S CA -0.541 57.419 58.200 -0.400 0.000 0.998 207 S CB 0.946 64.070 63.200 -0.125 0.000 0.953 207 S HN 0.591 nan 8.310 nan 0.000 0.547 208 F N 0.829 120.716 119.950 -0.104 0.000 2.334 208 F HA 0.415 4.942 4.527 -0.000 0.000 0.367 208 F C -0.192 175.511 175.800 -0.162 0.000 1.115 208 F CA -1.222 56.706 58.000 -0.120 0.000 1.116 208 F CB 0.801 39.711 39.000 -0.150 0.000 1.230 208 F HN 0.261 nan 8.300 nan 0.000 0.484 209 V N 5.456 125.348 119.914 -0.037 0.000 2.405 209 V HA 0.196 4.316 4.120 -0.000 0.000 0.264 209 V C 1.167 177.259 176.094 -0.004 0.000 1.048 209 V CA -0.244 61.964 62.300 -0.154 0.000 0.966 209 V CB 0.579 32.262 31.823 -0.234 0.000 1.015 209 V HN 0.785 nan 8.190 nan 0.000 0.477 210 R N 2.028 122.529 120.500 0.002 0.000 2.223 210 R HA 0.192 4.532 4.340 -0.000 0.000 0.198 210 R C -0.014 176.394 176.300 0.179 0.000 0.984 210 R CA 0.320 56.467 56.100 0.078 0.000 1.018 210 R CB 0.346 30.654 30.300 0.013 0.000 0.945 210 R HN 0.699 nan 8.270 nan 0.000 0.479 211 D N -0.963 119.525 120.400 0.146 0.000 2.609 211 D HA 0.367 5.007 4.640 -0.000 0.000 0.239 211 D C -1.880 174.503 176.300 0.139 0.000 1.229 211 D CA -0.542 53.581 54.000 0.206 0.000 0.808 211 D CB 2.540 43.485 40.800 0.242 0.000 1.448 211 D HN -0.219 nan 8.370 nan 0.000 0.433 212 V N 1.056 121.050 119.914 0.133 0.000 3.000 212 V HA 0.740 4.860 4.120 -0.000 0.000 0.300 212 V C -1.979 174.196 176.094 0.135 0.000 1.251 212 V CA -0.279 62.097 62.300 0.127 0.000 0.972 212 V CB 1.957 33.862 31.823 0.136 0.000 1.065 212 V HN 0.676 nan 8.190 nan 0.000 0.431 213 E N 4.083 124.398 120.200 0.191 0.000 2.388 213 E HA 0.431 4.781 4.350 -0.000 0.000 0.289 213 E C -1.891 175.019 176.600 0.516 0.000 0.944 213 E CA -0.582 55.998 56.400 0.299 0.000 0.792 213 E CB 1.463 31.292 29.700 0.216 0.000 1.239 213 E HN 0.549 nan 8.360 nan 0.000 0.412 214 F N 1.790 122.116 119.950 0.627 0.000 2.410 214 F HA 0.197 4.724 4.527 0.000 0.000 0.334 214 F C 1.184 176.815 175.800 -0.282 0.000 1.134 214 F CA -0.002 58.128 58.000 0.216 0.000 1.227 214 F CB 1.142 40.205 39.000 0.105 0.000 1.194 214 F HN 0.365 nan 8.300 nan 0.000 0.571 215 S N 2.494 117.788 115.700 -0.677 0.000 2.585 215 S HA 0.397 4.867 4.470 -0.000 0.000 0.273 215 S C -2.585 171.724 174.600 -0.486 0.000 1.339 215 S CA -1.268 56.029 58.200 -1.505 0.000 1.028 215 S CB 0.633 62.975 63.200 -1.431 0.000 0.906 215 S HN 0.251 nan 8.310 nan 0.000 0.528 216 P HA 0.279 nan 4.420 nan 0.000 0.275 216 P C 0.364 177.607 177.300 -0.095 0.000 1.270 216 P CA 0.021 63.080 63.100 -0.068 0.000 0.791 216 P CB 0.228 31.955 31.700 0.046 0.000 1.089 217 D N -1.458 118.900 120.400 -0.069 0.000 4.352 217 D HA -0.218 4.422 4.640 -0.000 0.000 0.135 217 D C 1.436 177.651 176.300 -0.142 0.000 0.758 217 D CA 2.143 56.087 54.000 -0.094 0.000 1.133 217 D CB -1.841 38.919 40.800 -0.068 0.000 0.571 217 D HN 0.516 nan 8.370 nan 0.000 0.555 218 S N 1.073 116.689 115.700 -0.139 0.000 2.481 218 S HA 0.253 4.723 4.470 -0.000 0.000 0.231 218 S C 1.636 176.145 174.600 -0.152 0.000 0.996 218 S CA 1.632 59.740 58.200 -0.154 0.000 0.942 218 S CB 0.315 63.428 63.200 -0.144 0.000 0.768 218 S HN 1.549 nan 8.310 nan 0.000 0.520 219 G N 2.611 111.321 108.800 -0.149 0.000 2.295 219 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.287 219 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.287 219 G C 0.479 175.338 174.900 -0.068 0.000 1.055 219 G CA 0.527 45.583 45.100 -0.074 0.000 0.922 219 G HN 0.853 nan 8.290 nan 0.000 0.503 220 E N -1.358 118.676 120.200 -0.278 0.000 2.265 220 E HA 0.069 4.419 4.350 -0.000 0.000 0.196 220 E C 0.573 176.858 176.600 -0.525 0.000 0.996 220 E CA 0.593 56.709 56.400 -0.473 0.000 0.832 220 E CB -0.012 29.226 29.700 -0.770 0.000 0.756 220 E HN 0.516 nan 8.360 nan 0.000 0.491 221 F N -0.074 119.853 119.950 -0.038 0.000 2.618 221 F HA 0.563 5.090 4.527 -0.000 0.000 0.332 221 F C -0.424 175.351 175.800 -0.042 0.000 1.061 221 F CA -1.437 56.552 58.000 -0.017 0.000 0.974 221 F CB 2.082 41.102 39.000 0.033 0.000 1.310 221 F HN -0.304 nan 8.300 nan 0.000 0.491 222 V N 2.510 122.539 119.914 0.191 0.000 2.777 222 V HA 0.510 4.630 4.120 -0.000 0.000 0.306 222 V C -0.736 175.443 176.094 0.141 0.000 1.112 222 V CA -0.731 61.517 62.300 -0.087 0.000 0.917 222 V CB 2.070 33.613 31.823 -0.467 0.000 1.018 222 V HN 0.585 nan 8.190 nan 0.000 0.426 223 I N 3.450 124.107 120.570 0.145 0.000 2.608 223 I HA 0.693 4.863 4.170 -0.000 0.000 0.295 223 I C -0.092 176.080 176.117 0.092 0.000 1.049 223 I CA -0.375 60.956 61.300 0.050 0.000 1.063 223 I CB 2.795 40.606 38.000 -0.315 0.000 1.248 223 I HN 0.833 nan 8.210 nan 0.000 0.424 224 T N 3.111 117.782 114.554 0.196 0.000 2.887 224 T HA 0.811 5.161 4.350 -0.000 0.000 0.288 224 T C -0.600 174.245 174.700 0.242 0.000 1.021 224 T CA -0.711 61.538 62.100 0.248 0.000 1.000 224 T CB 1.882 71.005 68.868 0.426 0.000 1.034 224 T HN 0.467 nan 8.240 nan 0.000 0.467 225 V N -1.022 118.972 119.914 0.133 0.000 3.007 225 V HA 1.061 5.181 4.120 -0.000 0.000 0.311 225 V C -0.058 176.024 176.094 -0.021 0.000 1.120 225 V CA -0.317 62.045 62.300 0.103 0.000 0.980 225 V CB 1.414 33.281 31.823 0.075 0.000 1.033 225 V HN 1.490 nan 8.190 nan 0.000 0.429 226 G N 0.915 109.691 108.800 -0.040 0.000 2.663 226 G HA2 0.524 4.484 3.960 -0.000 0.000 0.299 226 G HA3 0.524 4.484 3.960 -0.000 0.000 0.299 226 G C 0.474 175.311 174.900 -0.103 0.000 1.372 226 G CA 0.154 45.184 45.100 -0.118 0.000 0.781 226 G HN 1.706 nan 8.290 nan 0.000 0.491 227 S N -0.590 115.056 115.700 -0.090 0.000 2.465 227 S HA -0.145 4.325 4.470 -0.000 0.000 0.241 227 S C 1.472 176.058 174.600 -0.023 0.000 1.000 227 S CA 2.044 60.199 58.200 -0.076 0.000 0.964 227 S CB -0.246 63.035 63.200 0.136 0.000 0.763 227 S HN 0.709 nan 8.310 nan 0.000 0.512 228 D N 1.110 121.514 120.400 0.008 0.000 2.363 228 D HA -0.046 4.594 4.640 -0.000 0.000 0.226 228 D C 0.879 177.184 176.300 0.009 0.000 1.020 228 D CA 0.107 54.121 54.000 0.023 0.000 0.892 228 D CB -0.706 40.137 40.800 0.073 0.000 0.900 228 D HN 0.547 nan 8.370 nan 0.000 0.531 229 R N -1.356 119.145 120.500 0.003 0.000 3.989 229 R HA -0.125 4.215 4.340 -0.000 0.000 0.377 229 R C -0.392 175.902 176.300 -0.010 0.000 1.158 229 R CA 0.913 57.010 56.100 -0.005 0.000 1.035 229 R CB -1.564 28.727 30.300 -0.015 0.000 1.557 229 R HN 0.251 nan 8.270 nan 0.000 0.551 230 K N 1.248 121.669 120.400 0.035 0.000 2.118 230 K HA 0.433 4.753 4.320 -0.000 0.000 0.267 230 K C 0.328 176.992 176.600 0.107 0.000 0.991 230 K CA -0.400 55.886 56.287 -0.002 0.000 0.916 230 K CB 1.195 33.669 32.500 -0.042 0.000 1.041 230 K HN 0.078 nan 8.250 nan 0.000 0.455 231 I N 1.974 122.556 120.570 0.020 0.000 2.405 231 I HA 0.090 4.260 4.170 -0.000 0.000 0.280 231 I C -0.342 175.779 176.117 0.006 0.000 1.027 231 I CA -0.389 60.897 61.300 -0.022 0.000 1.161 231 I CB 1.439 39.293 38.000 -0.244 0.000 1.300 231 I HN 0.318 nan 8.210 nan 0.000 0.463 232 S N 4.826 120.557 115.700 0.053 0.000 2.457 232 S HA 0.263 4.733 4.470 -0.000 0.000 0.289 232 S C -0.448 173.932 174.600 -0.366 0.000 1.163 232 S CA -0.495 57.604 58.200 -0.167 0.000 1.078 232 S CB 1.349 64.519 63.200 -0.050 0.000 0.987 232 S HN 0.698 nan 8.310 nan 0.000 0.482 233 C N 5.810 124.657 119.300 -0.755 0.000 2.281 233 C HA 0.748 5.208 4.460 -0.000 0.000 0.325 233 C C -0.908 173.577 174.990 -0.842 0.000 1.282 233 C CA -0.788 57.867 59.018 -0.606 0.000 1.640 233 C CB -1.664 25.740 27.740 -0.559 0.000 2.288 233 C HN 0.748 nan 8.230 nan 0.000 0.507 234 F N 3.385 123.168 119.950 -0.278 0.000 2.556 234 F HA 0.385 4.912 4.527 0.000 0.000 0.327 234 F C 0.500 176.251 175.800 -0.082 0.000 1.059 234 F CA -0.688 57.170 58.000 -0.238 0.000 0.953 234 F CB 0.691 39.568 39.000 -0.206 0.000 1.227 234 F HN 0.508 nan 8.300 nan 0.000 0.478 235 D N 1.058 121.512 120.400 0.090 0.000 2.371 235 D HA 0.049 4.689 4.640 -0.000 0.000 0.256 235 D C 1.220 177.565 176.300 0.075 0.000 1.193 235 D CA 0.234 54.285 54.000 0.084 0.000 0.881 235 D CB 1.665 42.467 40.800 0.003 0.000 1.143 235 D HN 0.803 nan 8.370 nan 0.000 0.473 236 G N 4.161 113.049 108.800 0.147 0.000 2.479 236 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 236 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 236 G C 1.402 176.581 174.900 0.464 0.000 1.115 236 G CA 0.682 45.989 45.100 0.345 0.000 0.757 236 G HN 0.544 nan 8.290 nan 0.000 0.560 237 K N 0.083 120.627 120.400 0.240 0.000 2.262 237 K HA 0.049 4.369 4.320 -0.000 0.000 0.200 237 K C 2.621 179.379 176.600 0.263 0.000 1.058 237 K CA 1.028 57.469 56.287 0.256 0.000 0.974 237 K CB 0.136 32.695 32.500 0.098 0.000 0.910 237 K HN 0.339 nan 8.250 nan 0.000 0.484 238 S N -1.308 114.410 115.700 0.030 0.000 2.492 238 S HA 0.173 4.643 4.470 -0.000 0.000 0.218 238 S C 1.407 175.703 174.600 -0.506 0.000 1.016 238 S CA 0.585 58.736 58.200 -0.081 0.000 0.916 238 S CB 0.606 63.770 63.200 -0.059 0.000 0.791 238 S HN 0.496 nan 8.310 nan 0.000 0.513 239 G N 1.364 109.588 108.800 -0.961 0.000 2.176 239 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 239 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 239 G C -0.143 174.518 174.900 -0.399 0.000 0.979 239 G CA 0.311 44.529 45.100 -1.469 0.000 0.641 239 G HN 0.807 nan 8.290 nan 0.000 0.530 240 E N 0.140 120.231 120.200 -0.182 0.000 2.376 240 E HA 0.364 4.714 4.350 -0.000 0.000 0.266 240 E C 0.052 176.705 176.600 0.088 0.000 1.009 240 E CA -0.942 55.463 56.400 0.007 0.000 0.902 240 E CB 0.128 29.816 29.700 -0.021 0.000 0.972 240 E HN 0.302 nan 8.360 nan 0.000 0.439 241 F N 5.295 125.207 119.950 -0.064 0.000 2.543 241 F HA 0.035 4.562 4.527 -0.000 0.000 0.375 241 F C 0.028 175.559 175.800 -0.449 0.000 1.075 241 F CA -0.210 57.475 58.000 -0.524 0.000 1.225 241 F CB 0.517 39.015 39.000 -0.836 0.000 1.099 241 F HN 0.556 nan 8.300 nan 0.000 0.561 242 L N 5.132 125.709 121.223 -1.076 0.000 2.269 242 L HA 0.283 4.623 4.340 -0.000 0.000 0.200 242 L C -0.010 176.336 176.870 -0.875 0.000 1.069 242 L CA 1.025 55.449 54.840 -0.694 0.000 0.804 242 L CB -0.654 41.136 42.059 -0.448 0.000 0.987 242 L HN 0.744 nan 8.230 nan 0.000 0.468 243 K N -3.137 116.331 120.400 -1.554 0.000 2.870 243 K HA 0.179 4.499 4.320 -0.000 0.000 0.290 243 K C -1.572 174.462 176.600 -0.944 0.000 1.070 243 K CA -0.783 54.916 56.287 -0.981 0.000 0.843 243 K CB 0.224 32.469 32.500 -0.424 0.000 1.475 243 K HN -0.236 nan 8.250 nan 0.000 0.359 244 Y N 0.953 121.101 120.300 -0.255 0.000 2.299 244 Y HA 0.310 4.860 4.550 -0.000 0.000 0.326 244 Y C 0.489 176.236 175.900 -0.254 0.000 1.164 244 Y CA -1.110 56.873 58.100 -0.196 0.000 1.234 244 Y CB 1.008 39.441 38.460 -0.045 0.000 1.219 244 Y HN 0.274 nan 8.280 nan 0.000 0.497 245 I N 4.493 124.980 120.570 -0.137 0.000 2.291 245 I HA 0.123 4.293 4.170 -0.000 0.000 0.292 245 I C -0.282 175.635 176.117 -0.334 0.000 1.064 245 I CA -0.282 60.863 61.300 -0.259 0.000 1.269 245 I CB -0.059 37.734 38.000 -0.346 0.000 1.418 245 I HN 0.719 nan 8.210 nan 0.000 0.485 246 E N 4.455 124.549 120.200 -0.176 0.000 2.321 246 E HA 0.458 4.808 4.350 -0.000 0.000 0.278 246 E C -1.554 175.084 176.600 0.062 0.000 0.902 246 E CA -0.877 55.465 56.400 -0.098 0.000 0.758 246 E CB 2.724 32.393 29.700 -0.052 0.000 1.213 246 E HN 0.257 nan 8.360 nan 0.000 0.426 247 D N 2.183 122.708 120.400 0.209 0.000 2.425 247 D HA 0.170 4.810 4.640 -0.000 0.000 0.240 247 D C -0.268 176.097 176.300 0.108 0.000 1.080 247 D CA -0.537 53.582 54.000 0.199 0.000 0.836 247 D CB 1.684 42.664 40.800 0.300 0.000 1.125 247 D HN 0.433 nan 8.370 nan 0.000 0.525 248 D N 1.636 122.069 120.400 0.056 0.000 2.228 248 D HA -0.170 4.470 4.640 -0.000 0.000 0.203 248 D C 1.310 177.620 176.300 0.018 0.000 0.988 248 D CA 1.121 55.138 54.000 0.029 0.000 0.864 248 D CB 0.359 41.168 40.800 0.015 0.000 0.928 248 D HN 0.396 nan 8.370 nan 0.000 0.469 249 Q N -0.270 119.537 119.800 0.011 0.000 2.408 249 Q HA 0.094 4.434 4.340 -0.000 0.000 0.205 249 Q C 0.079 176.063 176.000 -0.027 0.000 0.919 249 Q CA 0.594 56.388 55.803 -0.016 0.000 0.932 249 Q CB 0.852 29.569 28.738 -0.035 0.000 1.058 249 Q HN 0.250 nan 8.270 nan 0.000 0.517 250 E N 1.009 121.212 120.200 0.005 0.000 2.731 250 E HA 0.329 4.679 4.350 -0.000 0.000 0.248 250 E C -2.560 174.098 176.600 0.097 0.000 1.084 250 E CA -1.835 54.562 56.400 -0.006 0.000 0.776 250 E CB 1.863 31.485 29.700 -0.129 0.000 1.404 250 E HN 0.020 nan 8.360 nan 0.000 0.395 251 P HA 0.178 nan 4.420 nan 0.000 0.278 251 P C -0.308 177.047 177.300 0.092 0.000 1.238 251 P CA -0.540 62.605 63.100 0.074 0.000 0.794 251 P CB 1.048 32.767 31.700 0.030 0.000 0.955 252 V N 3.926 123.904 119.914 0.108 0.000 2.408 252 V HA 0.089 4.209 4.120 -0.000 0.000 0.267 252 V C 0.870 176.997 176.094 0.054 0.000 1.047 252 V CA 0.268 62.633 62.300 0.109 0.000 0.937 252 V CB 0.406 32.299 31.823 0.116 0.000 0.999 252 V HN 0.532 nan 8.190 nan 0.000 0.472 253 Q N 3.319 123.147 119.800 0.047 0.000 2.211 253 Q HA 0.490 4.829 4.340 -0.000 0.000 0.231 253 Q C 0.630 176.650 176.000 0.033 0.000 0.865 253 Q CA -0.018 55.803 55.803 0.030 0.000 0.997 253 Q CB 1.195 29.947 28.738 0.023 0.000 1.101 253 Q HN 0.903 nan 8.270 nan 0.000 0.468 254 G N -0.886 107.936 108.800 0.038 0.000 2.667 254 G HA2 0.457 4.417 3.960 -0.000 0.000 0.294 254 G HA3 0.457 4.417 3.960 -0.000 0.000 0.294 254 G C -0.673 174.233 174.900 0.010 0.000 1.467 254 G CA -0.578 44.545 45.100 0.038 0.000 0.852 254 G HN 0.102 nan 8.290 nan 0.000 0.521 255 G N -0.339 108.438 108.800 -0.040 0.000 2.321 255 G HA2 0.406 4.366 3.960 -0.000 0.000 0.237 255 G HA3 0.406 4.366 3.960 -0.000 0.000 0.237 255 G C 0.263 175.019 174.900 -0.239 0.000 1.282 255 G CA -0.085 44.913 45.100 -0.171 0.000 0.886 255 G HN 0.669 nan 8.290 nan 0.000 0.528 256 I N 1.213 121.654 120.570 -0.216 0.000 2.440 256 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 256 I C 0.350 176.283 176.117 -0.306 0.000 0.995 256 I CA -0.360 60.872 61.300 -0.113 0.000 1.306 256 I CB 1.401 39.407 38.000 0.009 0.000 1.407 256 I HN 0.493 nan 8.210 nan 0.000 0.501 257 F N 3.270 123.241 119.950 0.035 0.000 2.637 257 F HA 0.464 4.991 4.527 -0.000 0.000 0.284 257 F C 0.857 176.676 175.800 0.032 0.000 1.105 257 F CA 0.088 58.094 58.000 0.009 0.000 1.356 257 F CB 0.385 39.375 39.000 -0.017 0.000 1.096 257 F HN 0.494 nan 8.300 nan 0.000 0.616 258 A N 0.101 123.061 122.820 0.232 0.000 2.602 258 A HA 0.802 5.122 4.320 -0.000 0.000 0.290 258 A C -1.822 175.869 177.584 0.177 0.000 1.114 258 A CA -0.586 51.567 52.037 0.193 0.000 0.683 258 A CB 1.553 20.659 19.000 0.177 0.000 1.281 258 A HN 0.228 nan 8.150 nan 0.000 0.416 259 L N -1.825 119.499 121.223 0.170 0.000 2.568 259 L HA 0.994 5.334 4.340 -0.000 0.000 0.257 259 L C -0.720 176.240 176.870 0.150 0.000 1.024 259 L CA -0.400 54.535 54.840 0.158 0.000 0.854 259 L CB 1.971 44.088 42.059 0.096 0.000 1.460 259 L HN 1.162 nan 8.230 nan 0.000 0.409 260 S N 0.319 116.107 115.700 0.147 0.000 2.584 260 S HA 0.506 4.976 4.470 -0.000 0.000 0.280 260 S C -1.977 172.757 174.600 0.223 0.000 1.162 260 S CA -0.478 57.839 58.200 0.196 0.000 0.951 260 S CB 0.587 63.900 63.200 0.189 0.000 1.108 260 S HN 0.615 nan 8.310 nan 0.000 0.464 261 W N 5.466 126.912 121.300 0.242 0.000 2.253 261 W HA 0.294 4.954 4.660 -0.000 0.000 0.322 261 W C 1.361 178.012 176.519 0.221 0.000 1.342 261 W CA -0.555 56.958 57.345 0.279 0.000 1.218 261 W CB 0.500 30.111 29.460 0.253 0.000 1.205 261 W HN 0.523 nan 8.180 nan 0.000 0.551 262 L N 2.030 123.504 121.223 0.418 0.000 2.162 262 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 262 L C 0.531 177.581 176.870 0.301 0.000 1.086 262 L CA 1.577 56.588 54.840 0.284 0.000 0.778 262 L CB -1.236 40.949 42.059 0.209 0.000 0.928 262 L HN 0.541 nan 8.230 nan 0.000 0.446 263 D N -3.908 116.727 120.400 0.390 0.000 3.103 263 D HA 0.002 4.641 4.640 -0.000 0.000 0.337 263 D C 0.621 177.153 176.300 0.387 0.000 1.356 263 D CA 0.283 54.471 54.000 0.314 0.000 0.951 263 D CB 0.222 41.159 40.800 0.227 0.000 1.438 263 D HN -0.159 nan 8.370 nan 0.000 0.562 264 S N -1.633 114.213 115.700 0.244 0.000 2.555 264 S HA -0.067 4.403 4.470 -0.000 0.000 0.230 264 S C 0.864 175.686 174.600 0.369 0.000 0.978 264 S CA 0.769 59.076 58.200 0.179 0.000 0.934 264 S CB -0.285 62.965 63.200 0.084 0.000 0.766 264 S HN 0.401 nan 8.310 nan 0.000 0.533 265 Q N 0.326 120.407 119.800 0.469 0.000 2.404 265 Q HA 0.381 4.721 4.340 -0.000 0.000 0.262 265 Q C -0.182 176.136 176.000 0.530 0.000 0.846 265 Q CA 0.608 56.709 55.803 0.496 0.000 0.978 265 Q CB 0.546 29.460 28.738 0.293 0.000 1.156 265 Q HN 0.543 nan 8.270 nan 0.000 0.548 266 K N 0.641 121.316 120.400 0.459 0.000 2.259 266 K HA 0.586 4.906 4.320 -0.000 0.000 0.249 266 K C -0.746 176.008 176.600 0.258 0.000 0.942 266 K CA -0.657 55.777 56.287 0.245 0.000 0.816 266 K CB 1.813 34.377 32.500 0.106 0.000 1.155 266 K HN -0.110 nan 8.250 nan 0.000 0.428 267 F N -1.204 118.669 119.950 -0.127 0.000 2.662 267 F HA 0.806 5.333 4.527 -0.000 0.000 0.312 267 F C -1.462 174.300 175.800 -0.062 0.000 1.113 267 F CA -1.349 56.484 58.000 -0.279 0.000 0.951 267 F CB 1.257 39.635 39.000 -1.037 0.000 1.344 267 F HN 0.455 nan 8.300 nan 0.000 0.462 268 A N 1.217 124.103 122.820 0.110 0.000 2.342 268 A HA 0.814 5.134 4.320 -0.000 0.000 0.323 268 A C -0.546 177.177 177.584 0.232 0.000 1.125 268 A CA -0.272 51.822 52.037 0.096 0.000 0.785 268 A CB 1.063 20.117 19.000 0.089 0.000 1.221 268 A HN 1.172 nan 8.150 nan 0.000 0.463 269 T N -1.348 113.361 114.554 0.257 0.000 2.908 269 T HA 0.743 5.093 4.350 -0.000 0.000 0.290 269 T C -0.860 173.956 174.700 0.193 0.000 1.034 269 T CA -0.786 61.481 62.100 0.279 0.000 1.010 269 T CB 1.519 70.620 68.868 0.388 0.000 1.068 269 T HN 1.187 nan 8.240 nan 0.000 0.481 270 V N 0.712 120.734 119.914 0.181 0.000 2.971 270 V HA 0.903 5.023 4.120 -0.000 0.000 0.309 270 V C 0.090 176.316 176.094 0.221 0.000 1.130 270 V CA 0.273 62.666 62.300 0.155 0.000 0.964 270 V CB 1.970 33.861 31.823 0.113 0.000 1.029 270 V HN 1.491 nan 8.190 nan 0.000 0.427 271 G N 2.302 111.238 108.800 0.226 0.000 2.731 271 G HA2 0.593 4.553 3.960 -0.000 0.000 0.309 271 G HA3 0.593 4.553 3.960 -0.000 0.000 0.309 271 G C 0.504 175.608 174.900 0.339 0.000 1.273 271 G CA 0.206 45.530 45.100 0.373 0.000 0.798 271 G HN 1.218 nan 8.290 nan 0.000 0.509 272 A N -0.376 122.688 122.820 0.408 0.000 2.172 272 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 272 A C 1.455 179.123 177.584 0.141 0.000 1.154 272 A CA 2.140 54.356 52.037 0.299 0.000 0.701 272 A CB -0.474 18.712 19.000 0.311 0.000 0.789 272 A HN 0.601 nan 8.150 nan 0.000 0.465 273 D N -1.256 119.212 120.400 0.114 0.000 2.336 273 D HA 0.375 5.015 4.640 -0.000 0.000 0.228 273 D C 0.652 176.985 176.300 0.055 0.000 1.120 273 D CA 0.286 54.328 54.000 0.070 0.000 0.839 273 D CB -0.778 40.056 40.800 0.057 0.000 0.932 273 D HN 0.715 nan 8.370 nan 0.000 0.509 274 A N -0.532 122.325 122.820 0.062 0.000 2.596 274 A HA -0.138 4.182 4.320 -0.000 0.000 0.300 274 A C 0.146 177.752 177.584 0.036 0.000 1.495 274 A CA 1.131 53.194 52.037 0.043 0.000 0.769 274 A CB -2.417 16.601 19.000 0.030 0.000 1.047 274 A HN 0.328 nan 8.150 nan 0.000 0.436 275 T N -0.339 114.237 114.554 0.038 0.000 2.921 275 T HA 0.604 4.954 4.350 -0.000 0.000 0.297 275 T C -0.426 174.276 174.700 0.004 0.000 1.013 275 T CA -0.416 61.690 62.100 0.010 0.000 0.990 275 T CB 1.238 70.103 68.868 -0.004 0.000 1.023 275 T HN 0.412 nan 8.240 nan 0.000 0.447 276 I N 3.215 123.767 120.570 -0.030 0.000 2.321 276 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 276 I C 0.422 176.489 176.117 -0.083 0.000 0.998 276 I CA -0.371 60.915 61.300 -0.022 0.000 1.227 276 I CB 0.927 38.877 38.000 -0.083 0.000 1.368 276 I HN 0.337 nan 8.210 nan 0.000 0.466 277 R N 4.666 125.085 120.500 -0.135 0.000 2.637 277 R HA 0.820 5.160 4.340 -0.000 0.000 0.291 277 R C -1.334 174.679 176.300 -0.478 0.000 0.963 277 R CA -1.011 54.836 56.100 -0.422 0.000 0.901 277 R CB 2.483 32.441 30.300 -0.569 0.000 1.160 277 R HN 0.284 nan 8.270 nan 0.000 0.457 278 V N 2.628 122.139 119.914 -0.672 0.000 2.409 278 V HA 0.419 4.539 4.120 -0.000 0.000 0.291 278 V C -0.949 174.706 176.094 -0.733 0.000 1.020 278 V CA -0.814 61.168 62.300 -0.530 0.000 0.848 278 V CB 0.893 32.515 31.823 -0.334 0.000 0.990 278 V HN 0.651 nan 8.190 nan 0.000 0.430 279 W N 1.520 122.390 121.300 -0.717 0.000 2.655 279 W HA 0.590 5.250 4.660 -0.000 0.000 0.358 279 W C -0.082 176.107 176.519 -0.550 0.000 1.100 279 W CA -0.711 56.212 57.345 -0.703 0.000 1.195 279 W CB 0.832 29.701 29.460 -0.986 0.000 1.403 279 W HN 0.423 nan 8.180 nan 0.000 0.589 280 D N 0.890 121.277 120.400 -0.022 0.000 2.453 280 D HA 0.135 4.775 4.640 -0.000 0.000 0.238 280 D C 1.099 177.464 176.300 0.109 0.000 1.088 280 D CA -0.286 53.745 54.000 0.052 0.000 0.854 280 D CB 2.016 42.840 40.800 0.040 0.000 1.076 280 D HN 0.349 nan 8.370 nan 0.000 0.533 281 V N 2.405 122.437 119.914 0.196 0.000 2.324 281 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 281 V C 2.016 178.080 176.094 -0.050 0.000 1.060 281 V CA 1.906 64.253 62.300 0.078 0.000 1.042 281 V CB -1.415 30.386 31.823 -0.037 0.000 0.650 281 V HN 0.487 nan 8.190 nan 0.000 0.450 282 T N 1.547 116.119 114.554 0.030 0.000 2.614 282 T HA -0.180 4.170 4.350 -0.000 0.000 0.263 282 T C 2.042 176.751 174.700 0.015 0.000 1.055 282 T CA 3.018 65.137 62.100 0.032 0.000 1.162 282 T CB -0.755 68.170 68.868 0.095 0.000 0.863 282 T HN 0.888 nan 8.240 nan 0.000 0.414 283 T N -0.549 114.024 114.554 0.033 0.000 3.023 283 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 283 T C 1.391 176.107 174.700 0.027 0.000 1.093 283 T CA 1.268 63.383 62.100 0.025 0.000 1.129 283 T CB -0.382 68.501 68.868 0.025 0.000 0.899 283 T HN 0.355 nan 8.240 nan 0.000 0.491 284 S N 0.001 115.724 115.700 0.039 0.000 3.490 284 S HA -0.158 4.312 4.470 -0.000 0.000 0.301 284 S C -0.115 174.580 174.600 0.159 0.000 1.233 284 S CA 0.792 59.027 58.200 0.058 0.000 0.914 284 S CB -1.894 61.305 63.200 -0.001 0.000 1.047 284 S HN 0.878 nan 8.310 nan 0.000 0.602 285 K N 0.650 121.132 120.400 0.137 0.000 2.118 285 K HA 0.556 4.876 4.320 -0.000 0.000 0.254 285 K C 0.181 176.807 176.600 0.043 0.000 0.961 285 K CA -0.270 56.082 56.287 0.107 0.000 0.876 285 K CB 1.406 33.910 32.500 0.006 0.000 1.077 285 K HN 0.282 nan 8.250 nan 0.000 0.440 286 C N 3.499 122.686 119.300 -0.188 0.000 2.416 286 C HA 0.137 4.597 4.460 -0.000 0.000 0.355 286 C C 1.727 176.441 174.990 -0.460 0.000 1.211 286 C CA -0.520 58.076 59.018 -0.703 0.000 1.699 286 C CB -1.198 25.922 27.740 -1.033 0.000 2.310 286 C HN 0.711 nan 8.230 nan 0.000 0.539 287 V N 4.545 124.209 119.914 -0.417 0.000 2.548 287 V HA -0.020 4.100 4.120 -0.000 0.000 0.249 287 V C 0.821 176.688 176.094 -0.379 0.000 1.055 287 V CA 1.688 63.803 62.300 -0.308 0.000 1.065 287 V CB -0.706 30.982 31.823 -0.225 0.000 0.681 287 V HN 0.916 nan 8.190 nan 0.000 0.462 288 Q N -0.502 118.979 119.800 -0.532 0.000 2.391 288 Q HA 0.532 4.872 4.340 -0.000 0.000 0.279 288 Q C -0.970 174.529 176.000 -0.836 0.000 1.028 288 Q CA -0.649 54.747 55.803 -0.678 0.000 0.836 288 Q CB 2.177 30.457 28.738 -0.763 0.000 1.414 288 Q HN 0.230 nan 8.270 nan 0.000 0.397 289 K N 2.104 121.965 120.400 -0.898 0.000 2.477 289 K HA 0.635 4.955 4.320 -0.000 0.000 0.255 289 K C -1.773 174.343 176.600 -0.807 0.000 0.952 289 K CA -0.590 55.258 56.287 -0.731 0.000 0.826 289 K CB 1.399 33.620 32.500 -0.464 0.000 1.331 289 K HN 0.580 nan 8.250 nan 0.000 0.437 290 W N 2.045 123.168 121.300 -0.296 0.000 3.129 290 W HA 0.275 4.935 4.660 -0.000 0.000 0.333 290 W C -0.705 175.687 176.519 -0.211 0.000 1.141 290 W CA -0.526 56.645 57.345 -0.290 0.000 1.224 290 W CB 1.817 30.896 29.460 -0.635 0.000 1.393 290 W HN 0.725 nan 8.180 nan 0.000 0.499 291 T N -0.028 114.597 114.554 0.118 0.000 2.916 291 T HA 0.849 5.199 4.350 -0.000 0.000 0.292 291 T C -1.080 173.673 174.700 0.087 0.000 1.055 291 T CA -0.650 61.489 62.100 0.065 0.000 1.009 291 T CB 2.413 71.295 68.868 0.023 0.000 1.118 291 T HN 0.106 nan 8.240 nan 0.000 0.497 292 L N 1.025 122.284 121.223 0.060 0.000 2.309 292 L HA 0.557 4.897 4.340 -0.000 0.000 0.261 292 L C -0.252 176.635 176.870 0.028 0.000 1.021 292 L CA -0.770 54.100 54.840 0.050 0.000 0.823 292 L CB 1.571 43.659 42.059 0.048 0.000 1.366 292 L HN 0.788 nan 8.230 nan 0.000 0.423 293 D N 0.649 121.060 120.400 0.018 0.000 2.389 293 D HA 0.008 4.648 4.640 -0.000 0.000 0.263 293 D C 0.781 177.087 176.300 0.010 0.000 1.255 293 D CA 0.532 54.538 54.000 0.010 0.000 0.914 293 D CB 0.776 41.578 40.800 0.003 0.000 1.116 293 D HN 0.380 nan 8.370 nan 0.000 0.502 294 K N 2.311 122.718 120.400 0.012 0.000 2.280 294 K HA -0.149 4.171 4.320 -0.000 0.000 0.202 294 K C 1.464 178.071 176.600 0.011 0.000 1.047 294 K CA 0.852 57.147 56.287 0.014 0.000 0.942 294 K CB 0.170 32.679 32.500 0.015 0.000 0.739 294 K HN 0.558 nan 8.250 nan 0.000 0.457 295 Q N 0.320 120.124 119.800 0.007 0.000 2.515 295 Q HA -0.040 4.300 4.340 -0.000 0.000 0.212 295 Q C -0.185 175.817 176.000 0.003 0.000 0.970 295 Q CA 0.562 56.369 55.803 0.006 0.000 0.941 295 Q CB 0.306 29.046 28.738 0.004 0.000 0.998 295 Q HN 0.242 nan 8.270 nan 0.000 0.518 296 Q N 0.485 120.286 119.800 0.001 0.000 2.363 296 Q HA 0.118 4.458 4.340 -0.000 0.000 0.265 296 Q C 0.130 176.127 176.000 -0.005 0.000 1.032 296 Q CA -0.307 55.494 55.803 -0.004 0.000 0.746 296 Q CB 1.538 30.269 28.738 -0.011 0.000 1.237 296 Q HN 0.135 nan 8.270 nan 0.000 0.475 297 L N 3.188 124.409 121.223 -0.003 0.000 2.054 297 L HA -0.211 4.129 4.340 -0.000 0.000 0.220 297 L C 1.788 178.647 176.870 -0.019 0.000 1.081 297 L CA 2.805 57.642 54.840 -0.004 0.000 0.780 297 L CB -0.645 41.413 42.059 -0.000 0.000 0.893 297 L HN 0.847 nan 8.230 nan 0.000 0.438 298 G N -1.186 107.599 108.800 -0.026 0.000 2.501 298 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 298 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 298 G C 1.297 176.169 174.900 -0.046 0.000 1.114 298 G CA 0.832 45.907 45.100 -0.041 0.000 0.757 298 G HN 0.523 nan 8.290 nan 0.000 0.559 299 N N 0.278 118.960 118.700 -0.030 0.000 2.398 299 N HA 0.038 4.778 4.740 -0.000 0.000 0.188 299 N C 0.862 176.361 175.510 -0.019 0.000 1.122 299 N CA 0.062 53.099 53.050 -0.021 0.000 0.866 299 N CB 0.141 38.625 38.487 -0.005 0.000 0.970 299 N HN 0.480 nan 8.380 nan 0.000 0.462 300 Q N 0.891 120.672 119.800 -0.032 0.000 2.361 300 Q HA 0.032 4.372 4.340 -0.000 0.000 0.276 300 Q C -0.134 175.815 176.000 -0.086 0.000 1.022 300 Q CA 0.363 56.145 55.803 -0.035 0.000 0.898 300 Q CB 0.586 29.291 28.738 -0.055 0.000 1.246 300 Q HN 0.061 nan 8.270 nan 0.000 0.410 301 Q N 1.721 121.491 119.800 -0.050 0.000 2.278 301 Q HA 0.174 4.514 4.340 -0.000 0.000 0.257 301 Q C 0.048 175.939 176.000 -0.181 0.000 0.928 301 Q CA -0.111 55.652 55.803 -0.066 0.000 0.932 301 Q CB 1.844 30.595 28.738 0.022 0.000 1.221 301 Q HN 0.487 nan 8.270 nan 0.000 0.434 302 V N 0.809 120.575 119.914 -0.247 0.000 3.621 302 V HA 0.305 4.425 4.120 -0.000 0.000 0.263 302 V C 0.608 176.633 176.094 -0.116 0.000 1.272 302 V CA 0.983 63.065 62.300 -0.362 0.000 1.080 302 V CB 0.895 32.493 31.823 -0.375 0.000 0.816 302 V HN 0.775 nan 8.190 nan 0.000 0.451 303 G N -1.214 107.558 108.800 -0.046 0.000 2.660 303 G HA2 0.611 4.571 3.960 -0.000 0.000 0.290 303 G HA3 0.611 4.571 3.960 -0.000 0.000 0.290 303 G C -2.145 172.775 174.900 0.032 0.000 1.432 303 G CA -0.197 44.910 45.100 0.011 0.000 0.807 303 G HN 0.031 nan 8.290 nan 0.000 0.485 304 V N -1.038 118.916 119.914 0.067 0.000 3.108 304 V HA 0.773 4.893 4.120 -0.000 0.000 0.287 304 V C -1.616 174.532 176.094 0.089 0.000 1.436 304 V CA -0.461 61.874 62.300 0.059 0.000 1.001 304 V CB 1.902 33.772 31.823 0.079 0.000 1.141 304 V HN 1.537 nan 8.190 nan 0.000 0.443 305 V N 4.959 124.907 119.914 0.056 0.000 2.924 305 V HA 0.884 5.004 4.120 -0.000 0.000 0.300 305 V C -0.132 175.972 176.094 0.016 0.000 1.227 305 V CA 0.202 62.555 62.300 0.089 0.000 0.954 305 V CB 1.994 33.903 31.823 0.142 0.000 1.055 305 V HN 1.819 nan 8.190 nan 0.000 0.429 306 A N 3.503 126.360 122.820 0.061 0.000 2.366 306 A HA 0.626 4.946 4.320 -0.000 0.000 0.272 306 A C 0.852 178.353 177.584 -0.139 0.000 1.135 306 A CA 0.362 52.407 52.037 0.014 0.000 0.804 306 A CB 0.692 19.767 19.000 0.126 0.000 1.064 306 A HN 1.505 nan 8.150 nan 0.000 0.499 307 T N -0.260 114.092 114.554 -0.337 0.000 3.176 307 T HA 0.515 4.865 4.350 -0.000 0.000 0.263 307 T C 0.789 175.321 174.700 -0.279 0.000 1.021 307 T CA 0.430 62.012 62.100 -0.864 0.000 0.905 307 T CB -0.742 67.486 68.868 -1.067 0.000 1.057 307 T HN 2.455 nan 8.240 nan 0.000 0.558 308 G N 1.964 110.744 108.800 -0.034 0.000 2.705 308 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.686 308 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.686 308 G C -0.164 174.776 174.900 0.067 0.000 1.285 308 G CA -0.631 44.514 45.100 0.075 0.000 0.800 308 G HN 0.472 nan 8.290 nan 0.000 0.611 309 N N -0.483 118.270 118.700 0.088 0.000 2.725 309 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 309 N C 1.801 177.362 175.510 0.085 0.000 1.031 309 N CA 2.863 55.963 53.050 0.082 0.000 0.720 309 N CB -1.139 37.393 38.487 0.075 0.000 0.930 309 N HN 2.628 nan 8.380 nan 0.000 0.543 310 G N -0.860 107.998 108.800 0.097 0.000 2.245 310 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.264 310 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.264 310 G C 0.285 175.253 174.900 0.112 0.000 0.985 310 G CA 0.747 45.916 45.100 0.116 0.000 0.625 310 G HN 0.570 nan 8.290 nan 0.000 0.536 311 R N -0.060 120.480 120.500 0.066 0.000 2.543 311 R HA 0.661 5.001 4.340 -0.000 0.000 0.277 311 R C 0.172 176.462 176.300 -0.017 0.000 1.074 311 R CA 0.252 56.370 56.100 0.029 0.000 1.076 311 R CB 0.564 30.867 30.300 0.004 0.000 0.993 311 R HN 0.359 nan 8.270 nan 0.000 0.459 312 I N 3.312 123.858 120.570 -0.040 0.000 2.656 312 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 312 I C -0.639 175.382 176.117 -0.159 0.000 1.144 312 I CA -0.678 60.581 61.300 -0.068 0.000 1.038 312 I CB 2.275 40.275 38.000 0.000 0.000 1.244 312 I HN 0.417 nan 8.210 nan 0.000 0.420 313 I N 3.808 124.250 120.570 -0.212 0.000 2.418 313 I HA 0.338 4.508 4.170 -0.000 0.000 0.287 313 I C -0.279 175.727 176.117 -0.184 0.000 1.008 313 I CA -0.357 60.724 61.300 -0.365 0.000 1.104 313 I CB 2.033 39.709 38.000 -0.539 0.000 1.264 313 I HN 0.442 nan 8.210 nan 0.000 0.438 314 S N 6.107 121.727 115.700 -0.133 0.000 2.472 314 S HA 0.637 5.107 4.470 -0.000 0.000 0.303 314 S C -0.963 173.587 174.600 -0.084 0.000 1.099 314 S CA -0.557 57.614 58.200 -0.048 0.000 1.077 314 S CB 1.367 64.590 63.200 0.038 0.000 1.031 314 S HN 0.432 nan 8.310 nan 0.000 0.487 315 L N 4.633 125.812 121.223 -0.074 0.000 2.287 315 L HA 0.603 4.943 4.340 -0.000 0.000 0.287 315 L C -0.063 176.752 176.870 -0.093 0.000 1.022 315 L CA 0.198 54.979 54.840 -0.100 0.000 0.814 315 L CB 1.235 43.231 42.059 -0.106 0.000 1.217 315 L HN 0.606 nan 8.230 nan 0.000 0.420 316 S N 4.012 119.657 115.700 -0.092 0.000 2.603 316 S HA 0.190 4.660 4.470 -0.000 0.000 0.268 316 S C 0.993 175.523 174.600 -0.117 0.000 1.317 316 S CA -0.492 57.654 58.200 -0.091 0.000 1.012 316 S CB 1.139 64.296 63.200 -0.073 0.000 0.926 316 S HN 0.781 nan 8.310 nan 0.000 0.539 317 L N 2.230 123.375 121.223 -0.129 0.000 2.191 317 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 317 L C 1.421 178.231 176.870 -0.098 0.000 1.103 317 L CA 1.893 56.652 54.840 -0.135 0.000 0.769 317 L CB -0.778 41.200 42.059 -0.136 0.000 0.908 317 L HN 0.792 nan 8.230 nan 0.000 0.438 318 D N -1.517 118.829 120.400 -0.090 0.000 2.324 318 D HA 0.161 4.801 4.640 -0.000 0.000 0.235 318 D C 1.616 177.855 176.300 -0.101 0.000 1.095 318 D CA 0.621 54.570 54.000 -0.085 0.000 0.871 318 D CB -0.342 40.409 40.800 -0.083 0.000 0.906 318 D HN 0.388 nan 8.370 nan 0.000 0.522 319 G N -0.799 107.936 108.800 -0.107 0.000 2.199 319 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 319 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 319 G C 0.514 175.332 174.900 -0.136 0.000 0.982 319 G CA 0.368 45.394 45.100 -0.123 0.000 0.632 319 G HN 0.478 nan 8.290 nan 0.000 0.529 320 T N 1.628 116.110 114.554 -0.119 0.000 2.901 320 T HA 0.505 4.855 4.350 -0.000 0.000 0.301 320 T C 0.642 175.282 174.700 -0.100 0.000 1.012 320 T CA 0.118 62.155 62.100 -0.105 0.000 1.135 320 T CB 1.115 69.926 68.868 -0.095 0.000 0.936 320 T HN 0.318 nan 8.240 nan 0.000 0.539 321 L N 4.509 125.689 121.223 -0.072 0.000 2.275 321 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 321 L C 0.481 177.318 176.870 -0.054 0.000 1.046 321 L CA -0.671 54.107 54.840 -0.103 0.000 0.805 321 L CB 0.628 42.647 42.059 -0.067 0.000 1.193 321 L HN 0.569 nan 8.230 nan 0.000 0.426 322 N N 3.915 122.516 118.700 -0.165 0.000 2.446 322 N HA 0.368 5.108 4.740 -0.000 0.000 0.265 322 N C -1.158 174.132 175.510 -0.365 0.000 0.975 322 N CA -0.429 52.516 53.050 -0.175 0.000 0.928 322 N CB 1.708 40.167 38.487 -0.047 0.000 1.160 322 N HN 0.236 nan 8.380 nan 0.000 0.495 323 F N 2.478 122.149 119.950 -0.464 0.000 2.411 323 F HA 0.400 4.927 4.527 -0.000 0.000 0.355 323 F C 0.093 175.468 175.800 -0.708 0.000 1.117 323 F CA -0.362 57.393 58.000 -0.408 0.000 1.139 323 F CB 0.391 39.232 39.000 -0.264 0.000 1.120 323 F HN 0.353 nan 8.300 nan 0.000 0.493 324 Y N 0.334 120.442 120.300 -0.319 0.000 2.634 324 Y HA 0.566 5.115 4.550 -0.000 0.000 0.340 324 Y C -0.521 175.181 175.900 -0.330 0.000 1.058 324 Y CA -1.229 56.497 58.100 -0.623 0.000 1.081 324 Y CB 2.136 39.705 38.460 -1.486 0.000 1.295 324 Y HN 0.468 nan 8.280 nan 0.000 0.487 325 E N 1.204 121.397 120.200 -0.012 0.000 2.291 325 E HA 0.298 4.648 4.350 -0.000 0.000 0.276 325 E C -1.681 175.190 176.600 0.451 0.000 0.896 325 E CA -0.648 55.876 56.400 0.206 0.000 0.774 325 E CB 1.605 31.427 29.700 0.203 0.000 1.227 325 E HN 0.667 nan 8.360 nan 0.000 0.413 326 L N 4.012 125.484 121.223 0.414 0.000 2.578 326 L HA 0.094 4.434 4.340 -0.000 0.000 0.279 326 L C 1.120 178.140 176.870 0.251 0.000 1.227 326 L CA 2.068 57.115 54.840 0.345 0.000 0.900 326 L CB 0.126 42.298 42.059 0.189 0.000 1.144 326 L HN 1.084 nan 8.230 nan 0.000 0.496 327 G N 2.476 111.387 108.800 0.184 0.000 2.176 327 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.253 327 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.253 327 G C -0.088 174.955 174.900 0.238 0.000 0.979 327 G CA 0.335 45.519 45.100 0.140 0.000 0.641 327 G HN 0.881 nan 8.290 nan 0.000 0.530 328 H N 0.928 120.136 119.070 0.230 0.000 2.887 328 H HA 0.584 5.140 4.556 -0.000 0.000 0.300 328 H C 0.485 176.063 175.328 0.415 0.000 1.038 328 H CA -1.072 55.119 56.048 0.239 0.000 1.352 328 H CB 0.772 30.654 29.762 0.199 0.000 1.473 328 H HN 0.006 nan 8.280 nan 0.000 0.503 329 D N 3.119 123.697 120.400 0.296 0.000 2.392 329 D HA -0.040 4.600 4.640 -0.000 0.000 0.228 329 D C -0.228 176.223 176.300 0.252 0.000 1.003 329 D CA 0.789 54.930 54.000 0.236 0.000 0.917 329 D CB 0.376 41.227 40.800 0.085 0.000 0.890 329 D HN 0.656 nan 8.370 nan 0.000 0.532 330 E N -0.357 119.760 120.200 -0.138 0.000 2.256 330 E HA 0.347 4.697 4.350 -0.000 0.000 0.267 330 E C -0.812 175.566 176.600 -0.371 0.000 0.892 330 E CA -0.963 55.324 56.400 -0.188 0.000 0.775 330 E CB 3.051 32.657 29.700 -0.155 0.000 1.207 330 E HN -0.206 nan 8.360 nan 0.000 0.420 331 V N 4.597 124.362 119.914 -0.249 0.000 2.585 331 V HA -0.030 4.090 4.120 -0.000 0.000 0.296 331 V C 0.965 176.838 176.094 -0.368 0.000 1.035 331 V CA 0.503 62.471 62.300 -0.553 0.000 1.084 331 V CB 0.109 31.593 31.823 -0.565 0.000 0.953 331 V HN 0.732 nan 8.190 nan 0.000 0.483 332 L N 5.532 126.544 121.223 -0.352 0.000 2.044 332 L HA 0.102 4.442 4.340 -0.000 0.000 0.205 332 L C 1.108 177.879 176.870 -0.166 0.000 1.075 332 L CA 1.581 56.336 54.840 -0.143 0.000 0.747 332 L CB -0.414 41.603 42.059 -0.070 0.000 0.903 332 L HN 0.867 nan 8.230 nan 0.000 0.435 333 K N -2.100 118.171 120.400 -0.215 0.000 2.672 333 K HA 0.359 4.679 4.320 -0.000 0.000 0.295 333 K C -1.108 175.407 176.600 -0.142 0.000 1.042 333 K CA -0.780 55.385 56.287 -0.203 0.000 0.869 333 K CB 1.897 34.227 32.500 -0.283 0.000 1.541 333 K HN -0.286 nan 8.250 nan 0.000 0.396 334 T N 0.713 115.196 114.554 -0.119 0.000 2.893 334 T HA 0.616 4.966 4.350 -0.000 0.000 0.293 334 T C -1.429 173.245 174.700 -0.043 0.000 1.027 334 T CA -0.807 61.265 62.100 -0.046 0.000 0.988 334 T CB 0.791 69.605 68.868 -0.089 0.000 1.043 334 T HN 0.498 nan 8.240 nan 0.000 0.461 335 I N 3.721 124.310 120.570 0.033 0.000 2.439 335 I HA 0.405 4.575 4.170 -0.000 0.000 0.283 335 I C 0.035 176.134 176.117 -0.031 0.000 1.023 335 I CA -0.551 60.759 61.300 0.016 0.000 1.100 335 I CB 1.926 39.989 38.000 0.106 0.000 1.238 335 I HN 0.514 nan 8.210 nan 0.000 0.445 336 S N 3.234 118.880 115.700 -0.091 0.000 2.704 336 S HA 0.986 5.456 4.470 -0.000 0.000 0.305 336 S C 0.095 174.576 174.600 -0.197 0.000 1.107 336 S CA -0.562 57.541 58.200 -0.162 0.000 0.993 336 S CB 2.369 65.433 63.200 -0.227 0.000 1.110 336 S HN 0.925 nan 8.310 nan 0.000 0.534 337 G N 0.205 108.850 108.800 -0.258 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 -1.900 172.826 174.900 -0.291 0.000 1.286 337 G CA -0.907 44.021 45.100 -0.287 0.000 0.865 337 G HN 0.646 nan 8.290 nan 0.000 0.506 338 H N 0.398 119.457 119.070 -0.018 0.000 2.505 338 H HA 0.394 4.950 4.556 -0.000 0.000 0.355 338 H C 0.328 175.610 175.328 -0.077 0.000 1.179 338 H CA 0.691 56.702 56.048 -0.061 0.000 1.343 338 H CB 1.566 31.299 29.762 -0.048 0.000 1.501 338 H HN 0.629 nan 8.280 nan 0.000 0.569 339 N N -0.302 118.414 118.700 0.027 0.000 2.193 339 N HA 0.046 4.786 4.740 -0.000 0.000 0.236 339 N C -0.660 174.810 175.510 -0.066 0.000 1.347 339 N CA -0.333 52.708 53.050 -0.015 0.000 0.812 339 N CB 0.949 39.420 38.487 -0.026 0.000 1.297 339 N HN 0.171 nan 8.380 nan 0.000 0.499 340 K N 0.352 120.653 120.400 -0.165 0.000 2.426 340 K HA 0.593 4.913 4.320 -0.000 0.000 0.251 340 K C 0.109 176.383 176.600 -0.544 0.000 0.941 340 K CA -0.610 55.387 56.287 -0.482 0.000 0.808 340 K CB 2.115 34.181 32.500 -0.723 0.000 1.265 340 K HN 0.168 nan 8.250 nan 0.000 0.432 341 G N 1.965 110.401 108.800 -0.606 0.000 2.287 341 G HA2 0.049 4.009 3.960 -0.000 0.000 0.235 341 G HA3 0.049 4.009 3.960 -0.000 0.000 0.235 341 G C 0.190 174.904 174.900 -0.310 0.000 1.258 341 G CA -0.117 44.853 45.100 -0.216 0.000 0.884 341 G HN 0.472 nan 8.290 nan 0.000 0.518 342 I N 1.714 122.125 120.570 -0.265 0.000 2.395 342 I HA 0.202 4.372 4.170 -0.000 0.000 0.289 342 I C 1.482 177.472 176.117 -0.212 0.000 1.023 342 I CA -0.182 60.917 61.300 -0.334 0.000 1.350 342 I CB 1.632 39.414 38.000 -0.363 0.000 1.409 342 I HN 0.691 nan 8.210 nan 0.000 0.507 343 T N 1.221 115.657 114.554 -0.198 0.000 2.959 343 T HA 0.480 4.830 4.350 -0.000 0.000 0.254 343 T C 0.307 174.928 174.700 -0.132 0.000 1.003 343 T CA -0.196 61.810 62.100 -0.155 0.000 0.950 343 T CB 0.556 69.315 68.868 -0.181 0.000 1.090 343 T HN 0.581 nan 8.240 nan 0.000 0.503 344 A N 1.376 124.122 122.820 -0.122 0.000 2.435 344 A HA 0.807 5.127 4.320 -0.000 0.000 0.304 344 A C -1.562 175.996 177.584 -0.044 0.000 1.064 344 A CA -0.751 51.246 52.037 -0.068 0.000 0.727 344 A CB 1.811 20.774 19.000 -0.062 0.000 1.284 344 A HN 0.311 nan 8.150 nan 0.000 0.415 345 L N 1.007 122.228 121.223 -0.004 0.000 2.472 345 L HA 0.781 5.121 4.340 -0.000 0.000 0.260 345 L C -0.745 176.158 176.870 0.055 0.000 0.963 345 L CA 0.063 54.915 54.840 0.020 0.000 0.829 345 L CB 2.016 44.073 42.059 -0.004 0.000 1.348 345 L HN 0.868 nan 8.230 nan 0.000 0.408 346 T N 2.300 116.898 114.554 0.073 0.000 2.901 346 T HA 0.793 5.143 4.350 -0.000 0.000 0.293 346 T C -1.459 173.299 174.700 0.097 0.000 1.084 346 T CA -0.255 61.900 62.100 0.093 0.000 1.008 346 T CB 2.055 70.980 68.868 0.094 0.000 1.170 346 T HN 0.391 nan 8.240 nan 0.000 0.509 347 V N 3.537 123.515 119.914 0.107 0.000 2.925 347 V HA 0.493 4.613 4.120 -0.000 0.000 0.311 347 V C -1.046 175.112 176.094 0.107 0.000 1.104 347 V CA -0.870 61.491 62.300 0.103 0.000 0.954 347 V CB 2.098 33.984 31.823 0.106 0.000 1.022 347 V HN 1.065 nan 8.190 nan 0.000 0.427 348 N N 2.586 121.344 118.700 0.097 0.000 2.641 348 N HA -0.106 4.634 4.740 -0.000 0.000 0.267 348 N C -2.309 173.257 175.510 0.094 0.000 1.087 348 N CA 0.617 53.722 53.050 0.091 0.000 0.731 348 N CB -0.825 37.718 38.487 0.092 0.000 0.886 348 N HN 0.562 nan 8.380 nan 0.000 0.547 349 P HA 0.218 nan 4.420 nan 0.000 0.278 349 P C 0.090 177.456 177.300 0.111 0.000 1.258 349 P CA -0.802 62.356 63.100 0.098 0.000 0.811 349 P CB 0.959 32.715 31.700 0.094 0.000 1.063 350 L N 1.981 123.283 121.223 0.132 0.000 2.369 350 L HA 0.322 4.662 4.340 -0.000 0.000 0.279 350 L C -0.383 176.639 176.870 0.254 0.000 1.108 350 L CA 0.241 55.184 54.840 0.171 0.000 0.852 350 L CB -0.839 41.310 42.059 0.149 0.000 1.169 350 L HN 0.202 nan 8.230 nan 0.000 0.452 351 I N 4.118 124.800 120.570 0.186 0.000 2.647 351 I HA 0.532 4.702 4.170 -0.000 0.000 0.295 351 I C -0.543 175.665 176.117 0.152 0.000 1.078 351 I CA -0.478 60.889 61.300 0.113 0.000 1.048 351 I CB 2.273 40.227 38.000 -0.077 0.000 1.239 351 I HN 0.655 nan 8.210 nan 0.000 0.421 352 S N 2.815 118.633 115.700 0.197 0.000 2.549 352 S HA 0.926 5.396 4.470 -0.000 0.000 0.280 352 S C -0.588 174.103 174.600 0.151 0.000 1.109 352 S CA -0.821 57.496 58.200 0.195 0.000 0.905 352 S CB 2.227 65.656 63.200 0.381 0.000 1.081 352 S HN 0.892 nan 8.310 nan 0.000 0.477 353 G N 0.634 109.423 108.800 -0.017 0.000 2.571 353 G HA2 0.679 4.639 3.960 -0.000 0.000 0.304 353 G HA3 0.679 4.639 3.960 -0.000 0.000 0.304 353 G C -0.716 174.060 174.900 -0.207 0.000 1.314 353 G CA -0.767 44.322 45.100 -0.017 0.000 0.975 353 G HN 1.114 nan 8.290 nan 0.000 0.485 354 S N -0.487 115.116 115.700 -0.162 0.000 2.726 354 S HA 0.451 4.921 4.470 -0.000 0.000 0.308 354 S C 0.631 175.128 174.600 -0.173 0.000 1.115 354 S CA -0.677 57.363 58.200 -0.267 0.000 0.965 354 S CB 1.104 64.119 63.200 -0.307 0.000 1.145 354 S HN 1.020 nan 8.310 nan 0.000 0.532 355 Y N 0.156 120.372 120.300 -0.139 0.000 2.632 355 Y HA 0.157 4.707 4.550 -0.000 0.000 0.301 355 Y C 0.860 176.719 175.900 -0.067 0.000 1.172 355 Y CA 0.398 58.403 58.100 -0.158 0.000 1.328 355 Y CB -1.153 37.205 38.460 -0.169 0.000 1.016 355 Y HN 0.621 nan 8.280 nan 0.000 0.529 356 D N -1.085 119.330 120.400 0.025 0.000 2.349 356 D HA 0.210 4.850 4.640 -0.000 0.000 0.214 356 D C 1.869 178.215 176.300 0.077 0.000 1.063 356 D CA 0.437 54.488 54.000 0.084 0.000 0.847 356 D CB -0.117 40.692 40.800 0.015 0.000 0.933 356 D HN 0.429 nan 8.370 nan 0.000 0.513 357 G N 0.709 109.537 108.800 0.048 0.000 2.175 357 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.244 357 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.244 357 G C 0.299 175.272 174.900 0.122 0.000 0.982 357 G CA -0.030 45.122 45.100 0.087 0.000 0.641 357 G HN 0.588 nan 8.290 nan 0.000 0.527 358 R N 0.454 121.007 120.500 0.088 0.000 2.537 358 R HA 0.631 4.971 4.340 -0.000 0.000 0.280 358 R C 0.323 176.712 176.300 0.147 0.000 1.058 358 R CA 0.123 56.279 56.100 0.092 0.000 1.057 358 R CB 0.105 30.434 30.300 0.047 0.000 0.973 358 R HN 0.351 nan 8.270 nan 0.000 0.438 362 W N 1.156 122.437 121.300 -0.033 0.000 2.392 362 W HA -0.192 4.468 4.660 -0.000 0.000 0.279 362 W C 2.508 179.012 176.519 -0.024 0.000 1.225 362 W CA 1.467 58.793 57.345 -0.032 0.000 1.233 362 W CB -0.034 29.411 29.460 -0.025 0.000 1.122 362 W HN 0.439 nan 8.180 nan 0.000 0.561 363 S N -0.424 115.374 115.700 0.162 0.000 2.382 363 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 363 S C 1.670 176.305 174.600 0.058 0.000 1.027 363 S CA 1.408 59.672 58.200 0.105 0.000 0.991 363 S CB -0.849 62.403 63.200 0.086 0.000 0.823 363 S HN 0.205 nan 8.310 nan 0.000 0.469 364 S N -0.747 114.966 115.700 0.022 0.000 2.603 364 S HA 0.407 4.877 4.470 -0.000 0.000 0.232 364 S C 0.441 175.008 174.600 -0.055 0.000 1.016 364 S CA 0.177 58.373 58.200 -0.007 0.000 0.976 364 S CB -0.069 63.131 63.200 0.000 0.000 0.921 364 S HN 0.414 nan 8.310 nan 0.000 0.516 365 S N 1.078 116.725 115.700 -0.089 0.000 3.682 365 S HA -0.129 4.341 4.470 -0.000 0.000 0.354 365 S C 0.292 174.747 174.600 -0.241 0.000 1.034 365 S CA 0.666 58.759 58.200 -0.179 0.000 1.084 365 S CB -2.067 61.070 63.200 -0.105 0.000 0.903 365 S HN 0.736 nan 8.310 nan 0.000 0.470 369 Q N 1.226 121.087 119.800 0.101 0.000 2.366 369 Q HA 0.131 4.471 4.340 -0.000 0.000 0.356 369 Q C -0.192 175.847 176.000 0.066 0.000 0.866 369 Q CA -0.163 55.679 55.803 0.065 0.000 1.109 369 Q CB 0.894 29.642 28.738 0.016 0.000 1.361 369 Q HN 0.476 nan 8.270 nan 0.000 0.404 370 D N -0.313 120.132 120.400 0.074 0.000 2.149 370 D HA -0.054 4.586 4.640 -0.000 0.000 0.206 370 D C 0.500 176.767 176.300 -0.055 0.000 0.967 370 D CA 1.005 54.996 54.000 -0.016 0.000 0.848 370 D CB 0.369 41.122 40.800 -0.078 0.000 0.998 370 D HN 0.333 nan 8.370 nan 0.000 0.474 371 H N 0.358 119.469 119.070 0.069 0.000 2.607 371 H HA 0.155 4.711 4.556 -0.000 0.000 0.367 371 H C 1.096 176.464 175.328 0.066 0.000 1.181 371 H CA 0.387 56.477 56.048 0.069 0.000 1.402 371 H CB 1.378 31.182 29.762 0.071 0.000 1.474 371 H HN 0.001 nan 8.280 nan 0.000 0.596 372 S N 1.039 116.871 115.700 0.220 0.000 2.650 372 S HA 0.143 4.612 4.470 -0.000 0.000 0.240 372 S C 0.422 175.116 174.600 0.156 0.000 1.007 372 S CA -0.527 57.763 58.200 0.150 0.000 0.984 372 S CB 0.360 63.631 63.200 0.118 0.000 0.910 372 S HN 0.564 nan 8.310 nan 0.000 0.509 373 N N 0.550 119.352 118.700 0.171 0.000 2.927 373 N HA 0.288 5.028 4.740 -0.000 0.000 0.248 373 N C -1.419 174.132 175.510 0.068 0.000 1.443 373 N CA -0.734 52.415 53.050 0.165 0.000 0.870 373 N CB 1.435 40.066 38.487 0.240 0.000 1.444 373 N HN 0.285 nan 8.380 nan 0.000 0.519 374 L N 1.584 122.813 121.223 0.010 0.000 2.742 374 L HA -0.059 4.281 4.340 -0.000 0.000 0.297 374 L C -0.148 176.511 176.870 -0.352 0.000 1.238 374 L CA 0.355 55.039 54.840 -0.260 0.000 0.895 374 L CB 0.090 41.697 42.059 -0.754 0.000 1.166 374 L HN 0.335 nan 8.230 nan 0.000 0.494 375 I N 6.814 127.209 120.570 -0.292 0.000 2.322 375 I HA -0.003 4.167 4.170 -0.000 0.000 0.292 375 I C 1.126 177.068 176.117 -0.292 0.000 1.060 375 I CA 0.039 61.171 61.300 -0.280 0.000 1.309 375 I CB 1.023 38.917 38.000 -0.175 0.000 1.415 375 I HN 0.552 nan 8.210 nan 0.000 0.492 376 V N 5.129 124.876 119.914 -0.279 0.000 2.591 376 V HA -0.050 4.070 4.120 -0.000 0.000 0.249 376 V C 0.951 176.985 176.094 -0.100 0.000 1.053 376 V CA 1.310 63.485 62.300 -0.209 0.000 1.068 376 V CB -0.156 31.587 31.823 -0.133 0.000 0.689 376 V HN 0.945 nan 8.190 nan 0.000 0.462 377 S N -1.299 114.355 115.700 -0.077 0.000 2.595 377 S HA 0.673 5.143 4.470 -0.000 0.000 0.270 377 S C -1.726 172.877 174.600 0.004 0.000 1.145 377 S CA -0.738 57.453 58.200 -0.016 0.000 0.825 377 S CB 2.250 65.457 63.200 0.012 0.000 1.107 377 S HN -0.061 nan 8.310 nan 0.000 0.461 378 L N 1.809 123.054 121.223 0.038 0.000 2.431 378 L HA 0.775 5.115 4.340 -0.000 0.000 0.266 378 L C -1.399 175.526 176.870 0.093 0.000 0.978 378 L CA -0.073 54.811 54.840 0.073 0.000 0.822 378 L CB 1.875 43.969 42.059 0.059 0.000 1.310 378 L HN 1.014 nan 8.230 nan 0.000 0.409 379 D N 1.647 122.114 120.400 0.112 0.000 2.696 379 D HA 0.354 4.994 4.640 -0.000 0.000 0.251 379 D C -0.300 176.162 176.300 0.270 0.000 1.188 379 D CA -0.247 53.834 54.000 0.135 0.000 0.876 379 D CB 1.321 42.134 40.800 0.022 0.000 1.334 379 D HN 0.511 nan 8.370 nan 0.000 0.540 380 N N 1.521 120.392 118.700 0.285 0.000 2.351 380 N HA -0.013 4.727 4.740 -0.000 0.000 0.254 380 N C 0.699 176.367 175.510 0.264 0.000 1.241 380 N CA -0.220 53.021 53.050 0.318 0.000 0.883 380 N CB 0.146 38.763 38.487 0.216 0.000 1.202 380 N HN 0.168 nan 8.380 nan 0.000 0.512 381 S N -0.654 115.236 115.700 0.317 0.000 2.423 381 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 381 S C 0.832 175.444 174.600 0.019 0.000 1.014 381 S CA 0.431 58.743 58.200 0.188 0.000 0.965 381 S CB -0.037 63.301 63.200 0.230 0.000 0.785 381 S HN 0.388 nan 8.310 nan 0.000 0.495 382 K N 1.749 122.038 120.400 -0.185 0.000 2.172 382 K HA 0.567 4.887 4.320 -0.000 0.000 0.276 382 K C -0.234 176.220 176.600 -0.244 0.000 1.013 382 K CA -0.359 55.614 56.287 -0.524 0.000 0.913 382 K CB 0.929 32.509 32.500 -1.535 0.000 1.055 382 K HN 0.285 nan 8.250 nan 0.000 0.461 383 A N 4.180 126.899 122.820 -0.168 0.000 2.561 383 A HA -0.041 4.279 4.320 -0.000 0.000 0.251 383 A C 0.058 177.611 177.584 -0.052 0.000 1.062 383 A CA 0.550 52.542 52.037 -0.074 0.000 0.761 383 A CB -0.198 18.765 19.000 -0.062 0.000 0.986 383 A HN 1.021 nan 8.150 nan 0.000 0.510 384 Q N -0.009 119.797 119.800 0.010 0.000 2.481 384 Q HA -0.199 4.141 4.340 -0.000 0.000 0.272 384 Q C -0.377 175.664 176.000 0.069 0.000 1.157 384 Q CA 1.839 57.669 55.803 0.045 0.000 0.935 384 Q CB -1.484 27.268 28.738 0.024 0.000 1.338 384 Q HN 0.949 nan 8.270 nan 0.000 0.494 385 E N -0.740 119.519 120.200 0.097 0.000 2.412 385 E HA 0.602 4.952 4.350 -0.000 0.000 0.279 385 E C -1.281 175.555 176.600 0.395 0.000 0.984 385 E CA -0.830 55.667 56.400 0.162 0.000 0.788 385 E CB 1.721 31.442 29.700 0.034 0.000 1.277 385 E HN 0.225 nan 8.360 nan 0.000 0.455 386 Y N -1.660 118.820 120.300 0.300 0.000 2.504 386 Y HA 0.689 5.239 4.550 -0.000 0.000 0.344 386 Y C -1.012 174.945 175.900 0.096 0.000 1.023 386 Y CA -0.966 57.284 58.100 0.249 0.000 1.020 386 Y CB 1.809 40.334 38.460 0.108 0.000 1.282 386 Y HN 0.317 nan 8.280 nan 0.000 0.454 387 S N 2.491 118.173 115.700 -0.030 0.000 2.454 387 S HA 0.776 5.246 4.470 -0.000 0.000 0.306 387 S C -0.944 173.665 174.600 0.016 0.000 1.100 387 S CA -0.228 57.817 58.200 -0.258 0.000 1.087 387 S CB 0.471 63.233 63.200 -0.729 0.000 1.019 387 S HN 1.120 nan 8.310 nan 0.000 0.480 388 S N 4.827 120.585 115.700 0.097 0.000 2.526 388 S HA 0.760 5.229 4.470 -0.000 0.000 0.293 388 S C -0.784 173.895 174.600 0.131 0.000 1.092 388 S CA -0.813 57.485 58.200 0.163 0.000 0.980 388 S CB 0.975 64.372 63.200 0.328 0.000 1.048 388 S HN 0.670 nan 8.310 nan 0.000 0.483 389 I N 1.934 122.507 120.570 0.005 0.000 2.509 389 I HA 0.639 4.809 4.170 -0.000 0.000 0.293 389 I C -0.101 175.899 176.117 -0.195 0.000 1.020 389 I CA -0.426 60.876 61.300 0.003 0.000 1.088 389 I CB 2.230 40.240 38.000 0.017 0.000 1.267 389 I HN 0.800 nan 8.210 nan 0.000 0.430 390 S N 3.739 119.337 115.700 -0.170 0.000 2.627 390 S HA 0.393 4.863 4.470 -0.000 0.000 0.283 390 S C -0.369 174.287 174.600 0.093 0.000 1.127 390 S CA -0.515 57.569 58.200 -0.194 0.000 0.863 390 S CB 1.233 64.154 63.200 -0.465 0.000 1.121 390 S HN 0.587 nan 8.310 nan 0.000 0.479 391 W N 1.851 123.096 121.300 -0.092 0.000 2.961 391 W HA 0.123 4.783 4.660 -0.000 0.000 0.240 391 W C 1.091 177.609 176.519 -0.002 0.000 1.305 391 W CA 0.421 57.733 57.345 -0.056 0.000 1.465 391 W CB -0.851 28.587 29.460 -0.036 0.000 1.135 391 W HN 0.852 nan 8.180 nan 0.000 0.688 392 D N -1.362 119.184 120.400 0.243 0.000 2.336 392 D HA -0.091 4.549 4.640 -0.000 0.000 0.229 392 D C 0.092 176.502 176.300 0.183 0.000 1.061 392 D CA 0.498 54.618 54.000 0.201 0.000 0.875 392 D CB -0.468 40.467 40.800 0.226 0.000 0.904 392 D HN -0.071 nan 8.370 nan 0.000 0.525 393 D N -0.485 120.027 120.400 0.186 0.000 2.947 393 D HA -0.137 4.503 4.640 -0.000 0.000 0.224 393 D C -0.428 176.101 176.300 0.382 0.000 1.132 393 D CA 1.432 55.568 54.000 0.226 0.000 0.801 393 D CB -1.967 38.928 40.800 0.159 0.000 1.097 393 D HN 0.596 nan 8.370 nan 0.000 0.431 394 T N -2.485 112.313 114.554 0.407 0.000 2.896 394 T HA 0.691 5.041 4.350 -0.000 0.000 0.297 394 T C -0.453 174.572 174.700 0.542 0.000 1.108 394 T CA -1.035 61.318 62.100 0.422 0.000 1.004 394 T CB 2.911 71.937 68.868 0.265 0.000 1.159 394 T HN 0.160 nan 8.240 nan 0.000 0.499 395 L N 1.536 123.030 121.223 0.452 0.000 2.325 395 L HA 0.710 5.050 4.340 -0.000 0.000 0.281 395 L C -0.804 176.185 176.870 0.197 0.000 1.004 395 L CA -0.687 54.379 54.840 0.377 0.000 0.823 395 L CB 1.219 43.479 42.059 0.335 0.000 1.236 395 L HN 0.749 nan 8.230 nan 0.000 0.415 396 K N 3.928 124.433 120.400 0.175 0.000 2.267 396 K HA 0.699 5.019 4.320 -0.000 0.000 0.246 396 K C -1.477 175.073 176.600 -0.084 0.000 0.954 396 K CA -0.890 55.402 56.287 0.010 0.000 0.824 396 K CB 2.816 35.254 32.500 -0.103 0.000 1.167 396 K HN 0.329 nan 8.250 nan 0.000 0.431 397 V N 3.199 123.019 119.914 -0.156 0.000 2.443 397 V HA 0.156 4.276 4.120 -0.000 0.000 0.293 397 V C -0.474 175.430 176.094 -0.317 0.000 1.021 397 V CA -1.006 61.161 62.300 -0.222 0.000 0.848 397 V CB 1.127 32.899 31.823 -0.086 0.000 0.998 397 V HN 0.850 nan 8.190 nan 0.000 0.424 398 N N 3.964 122.261 118.700 -0.671 0.000 2.727 398 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 398 N C 1.178 176.474 175.510 -0.358 0.000 1.048 398 N CA 1.449 54.108 53.050 -0.652 0.000 0.714 398 N CB -1.045 37.278 38.487 -0.273 0.000 0.959 398 N HN 1.583 nan 8.380 nan 0.000 0.544 399 G N -1.262 107.325 108.800 -0.355 0.000 2.155 399 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 399 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 399 G C 0.047 174.860 174.900 -0.145 0.000 0.983 399 G CA 0.559 45.550 45.100 -0.182 0.000 0.676 399 G HN 0.559 nan 8.290 nan 0.000 0.528 400 I N 1.332 121.817 120.570 -0.141 0.000 2.406 400 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 400 I C 0.580 176.648 176.117 -0.082 0.000 0.999 400 I CA -0.885 60.358 61.300 -0.094 0.000 1.124 400 I CB 1.873 39.832 38.000 -0.069 0.000 1.289 400 I HN -0.035 nan 8.210 nan 0.000 0.441 401 T N 6.293 120.808 114.554 -0.066 0.000 2.871 401 T HA 0.065 4.415 4.350 -0.000 0.000 0.296 401 T C 0.958 175.645 174.700 -0.022 0.000 0.998 401 T CA -0.031 62.049 62.100 -0.033 0.000 1.162 401 T CB 0.562 69.414 68.868 -0.027 0.000 0.947 401 T HN 0.483 nan 8.240 nan 0.000 0.536 402 K N 1.436 121.836 120.400 0.001 0.000 2.440 402 K HA 0.151 4.471 4.320 -0.000 0.000 0.207 402 K C -0.011 176.614 176.600 0.042 0.000 1.112 402 K CA 0.016 56.305 56.287 0.005 0.000 1.036 402 K CB 0.580 33.075 32.500 -0.008 0.000 0.935 402 K HN 0.765 nan 8.250 nan 0.000 0.564 403 H N 0.103 119.113 119.070 -0.099 0.000 3.085 403 H HA 0.291 4.847 4.556 -0.000 0.000 0.356 403 H C -1.664 173.553 175.328 -0.185 0.000 1.178 403 H CA -0.407 55.520 56.048 -0.201 0.000 1.214 403 H CB 1.244 30.792 29.762 -0.358 0.000 1.881 403 H HN -0.134 nan 8.280 nan 0.000 0.538 404 E N 4.385 124.046 120.200 -0.899 0.000 2.155 404 E HA 0.244 4.594 4.350 -0.000 0.000 0.264 404 E C -0.877 175.256 176.600 -0.778 0.000 0.886 404 E CA -0.741 55.344 56.400 -0.525 0.000 0.752 404 E CB 1.580 31.125 29.700 -0.257 0.000 1.133 404 E HN 0.256 nan 8.360 nan 0.000 0.414 405 F N 0.786 120.566 119.950 -0.282 0.000 2.443 405 F HA 0.203 4.730 4.527 0.000 0.000 0.353 405 F C 1.686 177.455 175.800 -0.051 0.000 1.101 405 F CA 0.013 57.969 58.000 -0.074 0.000 1.226 405 F CB 0.954 39.997 39.000 0.071 0.000 1.140 405 F HN 0.667 nan 8.300 nan 0.000 0.557 406 G N 0.770 109.655 108.800 0.142 0.000 2.572 406 G HA2 0.014 3.974 3.960 -0.000 0.000 0.216 406 G HA3 0.014 3.974 3.960 -0.000 0.000 0.216 406 G C 0.224 175.178 174.900 0.091 0.000 1.133 406 G CA 0.421 45.568 45.100 0.078 0.000 0.791 406 G HN 0.521 nan 8.290 nan 0.000 0.538 407 S N -0.776 115.012 115.700 0.145 0.000 2.547 407 S HA 0.395 4.865 4.470 -0.000 0.000 0.281 407 S C -0.580 174.058 174.600 0.063 0.000 1.118 407 S CA -0.645 57.602 58.200 0.077 0.000 0.947 407 S CB 1.541 64.777 63.200 0.060 0.000 1.053 407 S HN 0.257 nan 8.310 nan 0.000 0.482 408 Q N 4.436 124.217 119.800 -0.031 0.000 2.263 408 Q HA 0.145 4.485 4.340 -0.000 0.000 0.289 408 Q C -2.158 173.742 176.000 -0.167 0.000 1.061 408 Q CA -1.153 54.580 55.803 -0.116 0.000 0.927 408 Q CB 0.500 29.109 28.738 -0.216 0.000 1.154 408 Q HN 0.399 nan 8.270 nan 0.000 0.378 409 P HA 0.038 nan 4.420 nan 0.000 0.276 409 P C -0.804 176.491 177.300 -0.009 0.000 1.253 409 P CA 0.167 63.109 63.100 -0.263 0.000 0.766 409 P CB 0.978 32.311 31.700 -0.612 0.000 0.845 410 K N 2.007 122.417 120.400 0.016 0.000 2.067 410 K HA 0.086 4.406 4.320 -0.000 0.000 0.203 410 K C 0.959 177.682 176.600 0.205 0.000 1.048 410 K CA 1.173 57.544 56.287 0.140 0.000 0.954 410 K CB -0.015 32.515 32.500 0.050 0.000 0.737 410 K HN 0.449 nan 8.250 nan 0.000 0.444 411 V N -3.183 116.781 119.914 0.084 0.000 3.147 411 V HA 0.850 4.970 4.120 -0.000 0.000 0.306 411 V C -1.587 174.516 176.094 0.014 0.000 1.209 411 V CA -1.264 61.070 62.300 0.057 0.000 1.023 411 V CB 1.815 33.670 31.823 0.053 0.000 1.059 411 V HN 0.084 nan 8.190 nan 0.000 0.435 412 A N 1.150 123.977 122.820 0.012 0.000 2.587 412 A HA 0.978 5.298 4.320 -0.000 0.000 0.293 412 A C -0.663 176.937 177.584 0.027 0.000 1.087 412 A CA -0.052 51.992 52.037 0.011 0.000 0.692 412 A CB 1.881 20.884 19.000 0.004 0.000 1.291 412 A HN 2.139 nan 8.150 nan 0.000 0.407 413 S N -0.315 115.406 115.700 0.035 0.000 2.572 413 S HA 0.731 5.201 4.470 -0.000 0.000 0.274 413 S C -0.683 173.961 174.600 0.073 0.000 1.150 413 S CA 0.275 58.507 58.200 0.053 0.000 0.944 413 S CB 1.204 64.422 63.200 0.029 0.000 1.071 413 S HN 2.224 nan 8.310 nan 0.000 0.479 414 A N 3.690 126.566 122.820 0.093 0.000 2.337 414 A HA 0.836 5.156 4.320 -0.000 0.000 0.331 414 A C 0.074 177.740 177.584 0.137 0.000 1.137 414 A CA -0.821 51.284 52.037 0.113 0.000 0.807 414 A CB 0.865 19.922 19.000 0.096 0.000 1.250 414 A HN 0.943 nan 8.150 nan 0.000 0.468 415 N N 0.356 119.155 118.700 0.166 0.000 2.752 415 N HA 0.236 4.976 4.740 -0.000 0.000 0.316 415 N C -0.089 175.524 175.510 0.172 0.000 1.343 415 N CA -0.647 52.502 53.050 0.166 0.000 0.875 415 N CB 0.170 38.759 38.487 0.170 0.000 1.120 415 N HN 0.440 nan 8.380 nan 0.000 0.562 416 N N -0.984 117.813 118.700 0.163 0.000 2.236 416 N HA 0.069 4.809 4.740 -0.000 0.000 0.196 416 N C -0.645 174.953 175.510 0.147 0.000 1.114 416 N CA 0.175 53.313 53.050 0.147 0.000 0.859 416 N CB 0.301 38.859 38.487 0.119 0.000 0.982 416 N HN 0.481 nan 8.380 nan 0.000 0.493 417 D N 0.074 120.594 120.400 0.199 0.000 2.342 417 D HA 0.169 4.809 4.640 -0.000 0.000 0.221 417 D C 1.072 177.421 176.300 0.081 0.000 1.101 417 D CA 0.074 54.203 54.000 0.214 0.000 0.837 417 D CB 0.209 41.220 40.800 0.352 0.000 0.938 417 D HN 0.252 nan 8.370 nan 0.000 0.508 418 G N 0.507 109.345 108.800 0.063 0.000 2.142 418 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.225 418 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.225 418 G C -0.117 174.542 174.900 -0.401 0.000 1.015 418 G CA -0.393 44.660 45.100 -0.079 0.000 0.716 418 G HN 0.260 nan 8.290 nan 0.000 0.508 419 F N -0.354 119.651 119.950 0.091 0.000 2.593 419 F HA 0.801 5.328 4.527 -0.000 0.000 0.320 419 F C 0.451 176.267 175.800 0.026 0.000 1.060 419 F CA -0.683 57.342 58.000 0.041 0.000 0.940 419 F CB 2.544 41.560 39.000 0.027 0.000 1.268 419 F HN 0.006 nan 8.300 nan 0.000 0.475 420 T N 1.198 115.874 114.554 0.203 0.000 2.971 420 T HA 0.673 5.023 4.350 -0.000 0.000 0.304 420 T C -1.107 173.650 174.700 0.095 0.000 1.038 420 T CA -0.725 61.444 62.100 0.115 0.000 1.007 420 T CB 1.649 70.553 68.868 0.061 0.000 1.055 420 T HN 0.741 nan 8.240 nan 0.000 0.451 421 A N 2.771 125.630 122.820 0.065 0.000 2.276 421 A HA 0.790 5.110 4.320 -0.000 0.000 0.316 421 A C -0.415 177.184 177.584 0.026 0.000 1.229 421 A CA -0.532 51.521 52.037 0.028 0.000 0.851 421 A CB 0.471 19.472 19.000 0.002 0.000 1.165 421 A HN 0.682 nan 8.150 nan 0.000 0.513 422 V N 3.690 123.622 119.914 0.030 0.000 2.604 422 V HA 0.433 4.553 4.120 -0.000 0.000 0.305 422 V C -0.321 175.774 176.094 0.003 0.000 1.043 422 V CA -0.431 61.884 62.300 0.025 0.000 0.888 422 V CB 1.630 33.506 31.823 0.087 0.000 0.995 422 V HN 0.777 nan 8.190 nan 0.000 0.429 423 L N 4.436 125.651 121.223 -0.014 0.000 2.287 423 L HA 0.609 4.949 4.340 -0.000 0.000 0.287 423 L C 0.616 177.475 176.870 -0.019 0.000 1.022 423 L CA -0.261 54.569 54.840 -0.016 0.000 0.814 423 L CB 2.013 44.066 42.059 -0.011 0.000 1.217 423 L HN 0.872 nan 8.230 nan 0.000 0.420 424 T N -1.582 112.967 114.554 -0.009 0.000 2.884 424 T HA 0.178 4.528 4.350 -0.000 0.000 0.277 424 T C 0.741 175.423 174.700 -0.029 0.000 0.976 424 T CA -0.608 61.482 62.100 -0.017 0.000 0.956 424 T CB 1.247 70.135 68.868 0.033 0.000 1.113 424 T HN 0.461 nan 8.240 nan 0.000 0.554 425 N N -0.205 118.466 118.700 -0.048 0.000 2.512 425 N HA 0.004 4.744 4.740 -0.000 0.000 0.183 425 N C 0.394 175.883 175.510 -0.035 0.000 1.073 425 N CA 0.543 53.556 53.050 -0.062 0.000 0.911 425 N CB -0.105 38.324 38.487 -0.096 0.000 0.964 425 N HN 0.536 nan 8.380 nan 0.000 0.447 426 D N 0.038 120.430 120.400 -0.014 0.000 2.388 426 D HA 0.068 4.708 4.640 -0.000 0.000 0.221 426 D C -0.495 175.804 176.300 -0.002 0.000 1.133 426 D CA 0.119 54.115 54.000 -0.005 0.000 0.831 426 D CB 0.131 40.935 40.800 0.006 0.000 0.962 426 D HN 0.076 nan 8.370 nan 0.000 0.502 427 D N 0.632 121.029 120.400 -0.005 0.000 2.907 427 D HA -0.142 4.498 4.640 -0.000 0.000 0.226 427 D C -0.629 175.667 176.300 -0.006 0.000 1.141 427 D CA 0.821 54.819 54.000 -0.003 0.000 0.779 427 D CB -0.953 39.848 40.800 0.002 0.000 1.095 427 D HN 0.290 nan 8.370 nan 0.000 0.430 428 D N 0.422 120.818 120.400 -0.006 0.000 2.217 428 D HA 0.460 5.100 4.640 -0.000 0.000 0.248 428 D C 0.435 176.711 176.300 -0.040 0.000 1.008 428 D CA -0.427 53.563 54.000 -0.017 0.000 0.914 428 D CB 1.687 42.492 40.800 0.007 0.000 1.182 428 D HN 0.057 nan 8.370 nan 0.000 0.451 429 L N 2.899 124.066 121.223 -0.094 0.000 2.298 429 L HA 0.413 4.753 4.340 -0.000 0.000 0.284 429 L C -1.281 175.523 176.870 -0.109 0.000 1.013 429 L CA -0.544 54.211 54.840 -0.142 0.000 0.824 429 L CB 0.437 42.303 42.059 -0.323 0.000 1.221 429 L HN 0.185 nan 8.230 nan 0.000 0.418 430 L N 5.643 126.841 121.223 -0.043 0.000 2.334 430 L HA 0.544 4.884 4.340 -0.000 0.000 0.276 430 L C -0.573 176.287 176.870 -0.017 0.000 1.014 430 L CA -0.810 54.020 54.840 -0.016 0.000 0.815 430 L CB 2.314 44.408 42.059 0.058 0.000 1.268 430 L HN 0.438 nan 8.230 nan 0.000 0.428 431 I N 4.223 124.777 120.570 -0.028 0.000 2.354 431 I HA 0.419 4.589 4.170 -0.000 0.000 0.286 431 I C -0.360 175.777 176.117 0.035 0.000 1.007 431 I CA -0.316 60.987 61.300 0.004 0.000 1.167 431 I CB 1.366 39.347 38.000 -0.030 0.000 1.320 431 I HN 0.394 nan 8.210 nan 0.000 0.458 432 L N 5.703 126.961 121.223 0.059 0.000 2.333 432 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 432 L C 0.385 177.295 176.870 0.067 0.000 1.010 432 L CA -0.543 54.302 54.840 0.008 0.000 0.818 432 L CB 1.191 43.200 42.059 -0.083 0.000 1.306 432 L HN 0.411 nan 8.230 nan 0.000 0.430 433 Q N 0.855 120.651 119.800 -0.006 0.000 2.344 433 Q HA 0.174 4.514 4.340 -0.000 0.000 0.253 433 Q C 0.834 176.752 176.000 -0.136 0.000 1.050 433 Q CA -0.211 55.526 55.803 -0.110 0.000 0.912 433 Q CB 0.832 29.506 28.738 -0.107 0.000 1.258 433 Q HN 0.726 nan 8.270 nan 0.000 0.443 434 S N 1.810 117.403 115.700 -0.179 0.000 2.400 434 S HA -0.194 4.276 4.470 -0.000 0.000 0.234 434 S C 0.758 175.003 174.600 -0.591 0.000 1.049 434 S CA 1.634 59.621 58.200 -0.355 0.000 1.039 434 S CB -0.087 62.859 63.200 -0.423 0.000 0.856 434 S HN 0.548 nan 8.310 nan 0.000 0.465 435 F N 0.702 120.593 119.950 -0.098 0.000 2.641 435 F HA 0.219 4.746 4.527 -0.000 0.000 0.302 435 F C 1.989 177.742 175.800 -0.078 0.000 1.098 435 F CA 0.328 58.277 58.000 -0.084 0.000 1.318 435 F CB 0.137 39.083 39.000 -0.090 0.000 1.035 435 F HN 0.272 nan 8.300 nan 0.000 0.551 436 T N -5.563 108.994 114.554 0.005 0.000 2.980 436 T HA 0.400 4.750 4.350 -0.000 0.000 0.252 436 T C 1.769 176.448 174.700 -0.035 0.000 0.962 436 T CA 0.609 62.706 62.100 -0.005 0.000 0.932 436 T CB 0.523 69.384 68.868 -0.012 0.000 1.188 436 T HN 0.225 nan 8.240 nan 0.000 0.500 437 G N 1.861 110.617 108.800 -0.074 0.000 2.176 437 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.253 437 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.253 437 G C -0.417 174.373 174.900 -0.184 0.000 0.979 437 G CA 0.074 45.114 45.100 -0.100 0.000 0.641 437 G HN 0.618 nan 8.290 nan 0.000 0.530 438 D N 0.444 120.770 120.400 -0.123 0.000 2.350 438 D HA 0.390 5.030 4.640 -0.000 0.000 0.249 438 D C 0.957 177.159 176.300 -0.163 0.000 1.119 438 D CA 0.099 54.027 54.000 -0.120 0.000 0.886 438 D CB 1.013 41.783 40.800 -0.050 0.000 1.195 438 D HN 0.319 nan 8.370 nan 0.000 0.437 439 I N 2.997 123.453 120.570 -0.189 0.000 2.312 439 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 439 I C 1.707 177.789 176.117 -0.059 0.000 1.031 439 I CA -0.327 60.880 61.300 -0.154 0.000 1.293 439 I CB 0.741 38.644 38.000 -0.162 0.000 1.403 439 I HN 0.358 nan 8.210 nan 0.000 0.484 440 I N 3.954 124.514 120.570 -0.018 0.000 3.860 440 I HA 0.246 4.415 4.170 -0.000 0.000 0.319 440 I C 0.336 176.447 176.117 -0.009 0.000 1.279 440 I CA 0.093 61.397 61.300 0.008 0.000 1.220 440 I CB -0.119 37.919 38.000 0.063 0.000 1.027 440 I HN 0.547 nan 8.210 nan 0.000 0.428 441 K N 1.390 121.775 120.400 -0.026 0.000 2.653 441 K HA 0.528 4.848 4.320 -0.000 0.000 0.274 441 K C -1.255 175.312 176.600 -0.056 0.000 0.974 441 K CA -0.392 55.871 56.287 -0.040 0.000 0.868 441 K CB 1.412 33.881 32.500 -0.050 0.000 1.408 441 K HN 0.192 nan 8.250 nan 0.000 0.397 442 S N -0.183 115.481 115.700 -0.061 0.000 2.643 442 S HA 0.792 5.262 4.470 -0.000 0.000 0.270 442 S C -1.403 173.145 174.600 -0.087 0.000 1.166 442 S CA -0.497 57.657 58.200 -0.077 0.000 0.815 442 S CB 1.967 65.141 63.200 -0.043 0.000 1.139 442 S HN 1.215 nan 8.310 nan 0.000 0.472 443 V N 0.379 120.228 119.914 -0.108 0.000 2.966 443 V HA 0.716 4.836 4.120 -0.000 0.000 0.288 443 V C -1.663 174.385 176.094 -0.075 0.000 1.380 443 V CA -0.565 61.680 62.300 -0.091 0.000 0.966 443 V CB 2.142 33.883 31.823 -0.137 0.000 1.115 443 V HN 1.199 nan 8.190 nan 0.000 0.436 444 R N 5.516 126.002 120.500 -0.025 0.000 2.267 444 R HA 0.562 4.902 4.340 -0.000 0.000 0.319 444 R C -0.729 175.581 176.300 0.016 0.000 1.067 444 R CA -0.130 55.966 56.100 -0.006 0.000 0.936 444 R CB 0.060 30.364 30.300 0.007 0.000 1.006 444 R HN 0.762 nan 8.270 nan 0.000 0.452 445 L N 4.272 125.505 121.223 0.017 0.000 2.452 445 L HA 0.176 4.516 4.340 -0.000 0.000 0.267 445 L C 1.137 178.040 176.870 0.054 0.000 1.188 445 L CA 0.080 54.957 54.840 0.062 0.000 0.821 445 L CB 0.543 42.634 42.059 0.054 0.000 1.102 445 L HN 0.784 nan 8.230 nan 0.000 0.470 446 N N -0.301 118.438 118.700 0.067 0.000 2.521 446 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 446 N C -0.036 175.493 175.510 0.032 0.000 1.146 446 N CA -0.005 53.071 53.050 0.043 0.000 0.893 446 N CB 0.292 38.803 38.487 0.040 0.000 0.975 446 N HN 0.560 nan 8.380 nan 0.000 0.451 447 S N -0.382 115.338 115.700 0.034 0.000 2.587 447 S HA 0.358 4.828 4.470 -0.000 0.000 0.269 447 S C -2.947 171.666 174.600 0.022 0.000 1.154 447 S CA -1.308 56.907 58.200 0.024 0.000 0.824 447 S CB 1.228 64.442 63.200 0.024 0.000 1.118 447 S HN -0.275 nan 8.310 nan 0.000 0.462 448 P HA 0.351 nan 4.420 nan 0.000 0.271 448 P C -0.543 176.767 177.300 0.016 0.000 1.216 448 P CA 0.051 63.157 63.100 0.010 0.000 0.776 448 P CB 0.446 32.148 31.700 0.004 0.000 0.881 449 G N 0.360 109.168 108.800 0.014 0.000 2.371 449 G HA2 0.425 4.385 3.960 -0.000 0.000 0.326 449 G HA3 0.425 4.385 3.960 -0.000 0.000 0.326 449 G C 0.438 175.349 174.900 0.019 0.000 1.127 449 G CA -0.467 44.644 45.100 0.019 0.000 0.885 449 G HN 0.452 nan 8.290 nan 0.000 0.477 450 S N -0.360 115.354 115.700 0.024 0.000 2.603 450 S HA 0.647 5.117 4.470 -0.000 0.000 0.232 450 S C 0.505 175.125 174.600 0.032 0.000 1.016 450 S CA 0.393 58.613 58.200 0.033 0.000 0.976 450 S CB 0.476 63.699 63.200 0.039 0.000 0.921 450 S HN 1.695 nan 8.310 nan 0.000 0.516 451 A N 0.649 123.475 122.820 0.010 0.000 2.582 451 A HA 0.670 4.990 4.320 -0.000 0.000 0.297 451 A C -1.205 176.350 177.584 -0.048 0.000 1.059 451 A CA -0.684 51.339 52.037 -0.025 0.000 0.705 451 A CB 1.120 20.101 19.000 -0.032 0.000 1.279 451 A HN 0.741 nan 8.150 nan 0.000 0.404 452 V N -0.363 119.499 119.914 -0.086 0.000 3.007 452 V HA 0.949 5.069 4.120 -0.000 0.000 0.311 452 V C 0.000 176.030 176.094 -0.107 0.000 1.120 452 V CA -0.650 61.610 62.300 -0.067 0.000 0.980 452 V CB 1.887 33.690 31.823 -0.033 0.000 1.033 452 V HN 1.362 nan 8.190 nan 0.000 0.429 453 S N 2.264 117.934 115.700 -0.050 0.000 2.668 453 S HA 0.708 5.178 4.470 -0.000 0.000 0.277 453 S C -1.626 172.995 174.600 0.034 0.000 1.170 453 S CA -0.389 57.798 58.200 -0.022 0.000 0.994 453 S CB 1.287 64.479 63.200 -0.014 0.000 1.051 453 S HN 0.909 nan 8.310 nan 0.000 0.484 454 L N 5.343 126.599 121.223 0.056 0.000 2.322 454 L HA 0.844 5.184 4.340 -0.000 0.000 0.281 454 L C 0.088 177.016 176.870 0.096 0.000 1.014 454 L CA 0.202 55.087 54.840 0.073 0.000 0.815 454 L CB 1.746 43.848 42.059 0.071 0.000 1.247 454 L HN 0.787 nan 8.230 nan 0.000 0.421 455 S N 2.711 118.474 115.700 0.106 0.000 2.795 455 S HA 0.339 4.809 4.470 -0.000 0.000 0.308 455 S C 0.748 175.400 174.600 0.087 0.000 1.098 455 S CA -0.047 58.220 58.200 0.111 0.000 0.934 455 S CB 0.742 64.026 63.200 0.139 0.000 1.300 455 S HN 0.746 nan 8.310 nan 0.000 0.566 456 Q N 0.486 120.334 119.800 0.080 0.000 2.135 456 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 456 Q C 0.757 176.736 176.000 -0.034 0.000 0.981 456 Q CA 2.238 58.066 55.803 0.043 0.000 0.856 456 Q CB -0.332 28.432 28.738 0.044 0.000 0.902 456 Q HN 0.833 nan 8.270 nan 0.000 0.425 457 N N -2.294 116.375 118.700 -0.052 0.000 2.166 457 N HA 0.146 4.886 4.740 -0.000 0.000 0.213 457 N C -1.103 174.102 175.510 -0.508 0.000 1.222 457 N CA -0.159 52.709 53.050 -0.302 0.000 0.900 457 N CB 0.888 39.113 38.487 -0.436 0.000 1.055 457 N HN 0.057 nan 8.380 nan 0.000 0.515 458 Y N -0.240 120.060 120.300 -0.001 0.000 2.570 458 Y HA 0.618 5.168 4.550 -0.000 0.000 0.345 458 Y C -0.508 175.394 175.900 0.002 0.000 1.014 458 Y CA -1.311 56.791 58.100 0.003 0.000 1.063 458 Y CB 1.553 40.019 38.460 0.009 0.000 1.272 458 Y HN -0.372 nan 8.280 nan 0.000 0.477 459 V N 1.827 121.853 119.914 0.187 0.000 2.376 459 V HA 0.737 4.857 4.120 -0.000 0.000 0.287 459 V C -0.338 175.834 176.094 0.131 0.000 1.015 459 V CA -1.009 61.363 62.300 0.121 0.000 0.834 459 V CB 0.979 32.845 31.823 0.071 0.000 1.001 459 V HN 0.861 nan 8.190 nan 0.000 0.428 460 A N 4.979 127.838 122.820 0.065 0.000 2.260 460 A HA 0.820 5.140 4.320 -0.000 0.000 0.308 460 A C -0.537 177.058 177.584 0.019 0.000 1.254 460 A CA -0.425 51.618 52.037 0.011 0.000 0.874 460 A CB 0.968 19.959 19.000 -0.016 0.000 1.153 460 A HN 0.713 nan 8.150 nan 0.000 0.527 461 V N 2.312 122.247 119.914 0.034 0.000 2.531 461 V HA 0.618 4.738 4.120 -0.000 0.000 0.301 461 V C 0.736 176.837 176.094 0.011 0.000 1.034 461 V CA -0.329 61.998 62.300 0.044 0.000 0.865 461 V CB 1.933 33.837 31.823 0.134 0.000 0.995 461 V HN 1.110 nan 8.190 nan 0.000 0.424 462 G N 4.948 113.750 108.800 0.003 0.000 2.327 462 G HA2 0.593 4.553 3.960 -0.000 0.000 0.302 462 G HA3 0.593 4.553 3.960 -0.000 0.000 0.302 462 G C -0.630 174.281 174.900 0.018 0.000 1.113 462 G CA -0.409 44.693 45.100 0.004 0.000 0.921 462 G HN 0.600 nan 8.290 nan 0.000 0.425 463 L N 2.367 123.600 121.223 0.017 0.000 2.292 463 L HA 0.274 4.614 4.340 -0.000 0.000 0.284 463 L C 1.235 178.119 176.870 0.023 0.000 1.065 463 L CA -0.470 54.384 54.840 0.023 0.000 0.806 463 L CB 1.942 44.015 42.059 0.022 0.000 1.175 463 L HN 0.655 nan 8.230 nan 0.000 0.431 464 E N 1.194 121.407 120.200 0.023 0.000 2.338 464 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 464 E C 0.329 176.941 176.600 0.021 0.000 1.007 464 E CA 0.597 57.011 56.400 0.023 0.000 0.849 464 E CB 0.284 29.995 29.700 0.020 0.000 0.774 464 E HN 0.489 nan 8.360 nan 0.000 0.506 465 E N -0.274 119.937 120.200 0.019 0.000 2.035 465 E HA 0.215 4.565 4.350 -0.000 0.000 0.271 465 E C 0.222 176.832 176.600 0.017 0.000 0.953 465 E CA 0.164 56.574 56.400 0.017 0.000 0.777 465 E CB 0.439 30.148 29.700 0.015 0.000 1.104 465 E HN 0.219 nan 8.360 nan 0.000 0.408 466 G N 4.747 113.559 108.800 0.020 0.000 2.194 466 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.236 466 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.236 466 G C 0.358 175.275 174.900 0.027 0.000 0.987 466 G CA -0.098 45.015 45.100 0.021 0.000 0.635 466 G HN 0.686 nan 8.290 nan 0.000 0.520 467 N N 0.418 119.135 118.700 0.029 0.000 2.721 467 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 467 N C 0.650 176.181 175.510 0.035 0.000 1.072 467 N CA 2.107 55.179 53.050 0.037 0.000 0.710 467 N CB -1.986 36.531 38.487 0.050 0.000 0.993 467 N HN 1.617 nan 8.380 nan 0.000 0.547 468 T N -2.502 112.062 114.554 0.017 0.000 2.902 468 T HA 0.664 5.014 4.350 -0.000 0.000 0.280 468 T C 0.533 175.212 174.700 -0.034 0.000 0.992 468 T CA -0.819 61.280 62.100 -0.002 0.000 1.015 468 T CB 1.858 70.721 68.868 -0.009 0.000 1.044 468 T HN 0.071 nan 8.240 nan 0.000 0.520 469 I N 1.726 122.242 120.570 -0.090 0.000 2.362 469 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 469 I C 0.026 176.042 176.117 -0.168 0.000 0.994 469 I CA -0.541 60.675 61.300 -0.139 0.000 1.158 469 I CB 1.224 39.068 38.000 -0.260 0.000 1.315 469 I HN 0.847 nan 8.210 nan 0.000 0.451 470 Q N 5.529 125.235 119.800 -0.158 0.000 2.322 470 Q HA 0.556 4.896 4.340 -0.000 0.000 0.265 470 Q C -1.633 174.152 176.000 -0.359 0.000 0.985 470 Q CA -0.524 55.109 55.803 -0.284 0.000 0.849 470 Q CB 2.076 30.677 28.738 -0.229 0.000 1.274 470 Q HN 0.509 nan 8.270 nan 0.000 0.449 471 V N 5.569 125.082 119.914 -0.669 0.000 2.313 471 V HA 0.376 4.496 4.120 -0.000 0.000 0.278 471 V C -0.587 175.078 176.094 -0.714 0.000 1.017 471 V CA -0.531 61.370 62.300 -0.665 0.000 0.823 471 V CB 0.220 31.466 31.823 -0.962 0.000 1.010 471 V HN 0.654 nan 8.190 nan 0.000 0.443 472 F N 2.644 122.451 119.950 -0.239 0.000 2.370 472 F HA 0.462 4.989 4.527 -0.000 0.000 0.324 472 F C 0.686 176.462 175.800 -0.041 0.000 1.116 472 F CA -0.603 57.317 58.000 -0.133 0.000 1.123 472 F CB 0.921 39.865 39.000 -0.093 0.000 1.238 472 F HN 0.274 nan 8.300 nan 0.000 0.536 473 K N 2.477 122.961 120.400 0.140 0.000 2.248 473 K HA 0.220 4.540 4.320 -0.000 0.000 0.281 473 K C 1.023 177.589 176.600 -0.056 0.000 1.054 473 K CA -0.367 55.903 56.287 -0.029 0.000 0.903 473 K CB 0.703 33.192 32.500 -0.018 0.000 1.077 473 K HN 0.743 nan 8.250 nan 0.000 0.474 474 L N 2.848 123.977 121.223 -0.157 0.000 2.021 474 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 474 L C 1.988 178.760 176.870 -0.163 0.000 1.074 474 L CA 2.393 57.136 54.840 -0.161 0.000 0.760 474 L CB -0.396 41.526 42.059 -0.228 0.000 0.889 474 L HN 0.845 nan 8.230 nan 0.000 0.433 475 S N -1.954 113.645 115.700 -0.168 0.000 2.469 475 S HA -0.133 4.337 4.470 -0.000 0.000 0.238 475 S C 0.593 175.146 174.600 -0.078 0.000 0.998 475 S CA 0.788 58.909 58.200 -0.132 0.000 0.957 475 S CB -0.063 63.064 63.200 -0.122 0.000 0.764 475 S HN 0.527 nan 8.310 nan 0.000 0.514 476 D N -0.111 120.260 120.400 -0.048 0.000 2.351 476 D HA 0.236 4.876 4.640 -0.000 0.000 0.235 476 D C 0.526 176.855 176.300 0.049 0.000 1.331 476 D CA -0.323 53.673 54.000 -0.006 0.000 0.959 476 D CB 0.329 41.130 40.800 0.001 0.000 1.432 476 D HN 0.138 nan 8.370 nan 0.000 0.544 477 L N 1.763 123.013 121.223 0.045 0.000 2.447 477 L HA -0.084 4.256 4.340 -0.000 0.000 0.225 477 L C 1.731 178.746 176.870 0.241 0.000 1.148 477 L CA 0.926 55.843 54.840 0.130 0.000 0.808 477 L CB -0.026 42.006 42.059 -0.046 0.000 0.928 477 L HN 0.393 nan 8.230 nan 0.000 0.448 478 E N -0.522 119.754 120.200 0.128 0.000 2.427 478 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 478 E C 0.175 176.829 176.600 0.090 0.000 1.028 478 E CA 0.139 56.604 56.400 0.108 0.000 0.864 478 E CB 0.422 30.157 29.700 0.058 0.000 0.813 478 E HN 0.221 nan 8.360 nan 0.000 0.514 479 V N 1.889 121.858 119.914 0.093 0.000 2.370 479 V HA 0.239 4.359 4.120 -0.000 0.000 0.279 479 V C -0.071 176.025 176.094 0.003 0.000 1.029 479 V CA -0.408 61.928 62.300 0.059 0.000 0.870 479 V CB 1.223 33.088 31.823 0.071 0.000 0.984 479 V HN 0.133 nan 8.190 nan 0.000 0.451 480 S N 4.877 120.519 115.700 -0.098 0.000 2.588 480 S HA 0.911 5.381 4.470 -0.000 0.000 0.269 480 S C -1.119 173.379 174.600 -0.169 0.000 1.157 480 S CA -0.820 57.157 58.200 -0.371 0.000 0.824 480 S CB 2.309 64.925 63.200 -0.974 0.000 1.126 480 S HN 0.882 nan 8.310 nan 0.000 0.464 481 F N -1.028 118.782 119.950 -0.234 0.000 2.631 481 F HA 0.769 5.296 4.527 -0.000 0.000 0.308 481 F C -1.276 174.420 175.800 -0.174 0.000 1.097 481 F CA -0.998 56.905 58.000 -0.160 0.000 0.952 481 F CB 0.848 39.787 39.000 -0.101 0.000 1.307 481 F HN 0.473 nan 8.300 nan 0.000 0.450 482 D N 2.707 123.170 120.400 0.105 0.000 2.193 482 D HA 0.382 5.022 4.640 -0.000 0.000 0.249 482 D C -0.283 176.083 176.300 0.111 0.000 1.034 482 D CA -0.242 53.768 54.000 0.017 0.000 0.902 482 D CB 2.535 43.332 40.800 -0.006 0.000 1.182 482 D HN 0.511 nan 8.370 nan 0.000 0.436 483 L N 2.212 123.439 121.223 0.007 0.000 2.367 483 L HA 0.089 4.429 4.340 -0.000 0.000 0.275 483 L C 1.888 178.806 176.870 0.080 0.000 1.129 483 L CA -0.319 54.525 54.840 0.006 0.000 0.839 483 L CB 0.805 42.654 42.059 -0.349 0.000 1.133 483 L HN 0.258 nan 8.230 nan 0.000 0.453 484 K N 0.957 121.436 120.400 0.132 0.000 2.089 484 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 484 K C 0.375 177.053 176.600 0.130 0.000 1.048 484 K CA 1.315 57.668 56.287 0.111 0.000 0.926 484 K CB -0.193 32.361 32.500 0.091 0.000 0.714 484 K HN 0.586 nan 8.250 nan 0.000 0.448 485 T N 2.838 117.535 114.554 0.239 0.000 2.794 485 T HA 0.255 4.605 4.350 -0.000 0.000 0.280 485 T C -2.393 172.458 174.700 0.252 0.000 0.987 485 T CA -1.577 60.645 62.100 0.204 0.000 0.993 485 T CB 2.003 70.951 68.868 0.132 0.000 0.939 485 T HN 0.034 nan 8.240 nan 0.000 0.449 486 P HA 0.399 nan 4.420 nan 0.000 0.278 486 P C -0.392 176.995 177.300 0.145 0.000 1.266 486 P CA -0.683 62.489 63.100 0.121 0.000 0.807 486 P CB 1.092 32.832 31.700 0.068 0.000 1.094 487 L N 0.662 121.964 121.223 0.132 0.000 2.468 487 L HA 0.293 4.633 4.340 -0.000 0.000 0.254 487 L C 2.221 179.144 176.870 0.089 0.000 1.171 487 L CA -0.456 54.462 54.840 0.130 0.000 0.809 487 L CB 0.122 42.259 42.059 0.129 0.000 1.155 487 L HN 0.376 nan 8.230 nan 0.000 0.473 488 R N 0.621 121.174 120.500 0.087 0.000 2.153 488 R HA 0.158 4.498 4.340 -0.000 0.000 0.218 488 R C 0.055 176.396 176.300 0.068 0.000 1.072 488 R CA 1.111 57.250 56.100 0.066 0.000 0.990 488 R CB 0.148 30.486 30.300 0.064 0.000 0.889 488 R HN 0.765 nan 8.270 nan 0.000 0.452 489 A N -0.841 122.029 122.820 0.083 0.000 2.533 489 A HA 0.400 4.720 4.320 -0.000 0.000 0.293 489 A C -1.336 176.289 177.584 0.069 0.000 1.228 489 A CA -0.827 51.254 52.037 0.073 0.000 0.689 489 A CB 0.499 19.550 19.000 0.085 0.000 1.303 489 A HN 0.154 nan 8.150 nan 0.000 0.444 490 K N 0.470 120.905 120.400 0.059 0.000 2.530 490 K HA 0.174 4.494 4.320 -0.000 0.000 0.280 490 K C -2.450 174.188 176.600 0.064 0.000 1.004 490 K CA -0.586 55.733 56.287 0.053 0.000 1.071 490 K CB 0.026 32.553 32.500 0.045 0.000 0.876 490 K HN 0.259 nan 8.250 nan 0.000 0.487 491 P HA -0.001 nan 4.420 nan 0.000 0.271 491 P C -0.554 176.791 177.300 0.074 0.000 1.216 491 P CA -0.080 63.061 63.100 0.069 0.000 0.771 491 P CB 1.328 33.058 31.700 0.050 0.000 0.864 492 S N 1.335 117.096 115.700 0.100 0.000 2.575 492 S HA 0.233 4.703 4.470 -0.000 0.000 0.230 492 S C -0.303 174.419 174.600 0.204 0.000 1.062 492 S CA 0.103 58.377 58.200 0.124 0.000 0.913 492 S CB -0.023 63.242 63.200 0.108 0.000 0.837 492 S HN 0.444 nan 8.310 nan 0.000 0.487 493 Y N 0.271 120.606 120.300 0.058 0.000 2.474 493 Y HA 0.627 5.177 4.550 -0.000 0.000 0.326 493 Y C -2.023 173.935 175.900 0.098 0.000 1.160 493 Y CA -1.255 56.886 58.100 0.069 0.000 1.056 493 Y CB 1.260 39.754 38.460 0.056 0.000 1.330 493 Y HN 0.155 nan 8.280 nan 0.000 0.447 494 I N 3.758 124.094 120.570 -0.391 0.000 2.647 494 I HA 0.573 4.743 4.170 -0.000 0.000 0.295 494 I C -0.864 175.183 176.117 -0.117 0.000 1.078 494 I CA -0.882 60.350 61.300 -0.113 0.000 1.048 494 I CB 2.310 40.261 38.000 -0.081 0.000 1.239 494 I HN 0.507 nan 8.210 nan 0.000 0.421 495 S N 6.177 121.986 115.700 0.182 0.000 2.736 495 S HA 0.597 5.067 4.470 -0.000 0.000 0.285 495 S C -0.810 174.039 174.600 0.415 0.000 1.163 495 S CA -0.493 57.903 58.200 0.327 0.000 1.025 495 S CB 0.731 64.253 63.200 0.536 0.000 1.030 495 S HN 0.434 nan 8.310 nan 0.000 0.486 496 I N 3.657 124.370 120.570 0.238 0.000 2.474 496 I HA 0.209 4.379 4.170 -0.000 0.000 0.287 496 I C 1.009 177.094 176.117 -0.053 0.000 1.048 496 I CA -0.269 61.104 61.300 0.122 0.000 1.383 496 I CB 1.398 39.438 38.000 0.066 0.000 1.412 496 I HN 0.517 nan 8.210 nan 0.000 0.531 497 S N 7.886 123.371 115.700 -0.358 0.000 2.566 497 S HA 0.023 4.492 4.470 -0.000 0.000 0.280 497 S C -1.126 173.212 174.600 -0.437 0.000 1.343 497 S CA -0.735 56.895 58.200 -0.951 0.000 1.036 497 S CB 0.441 63.086 63.200 -0.925 0.000 0.866 497 S HN 0.559 nan 8.310 nan 0.000 0.526 498 P HA -0.069 nan 4.420 nan 0.000 0.225 498 P C 0.822 178.064 177.300 -0.098 0.000 1.148 498 P CA 0.965 63.992 63.100 -0.121 0.000 0.779 498 P CB -0.004 31.668 31.700 -0.046 0.000 0.780 499 S N -1.814 113.790 115.700 -0.160 0.000 2.523 499 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 499 S C 0.798 175.327 174.600 -0.118 0.000 0.996 499 S CA -0.154 57.978 58.200 -0.113 0.000 0.921 499 S CB -0.529 62.595 63.200 -0.126 0.000 0.829 499 S HN 0.077 nan 8.310 nan 0.000 0.495 500 E N -0.323 119.781 120.200 -0.160 0.000 3.547 500 E HA -0.168 4.182 4.350 -0.000 0.000 0.309 500 E C 0.467 176.932 176.600 -0.224 0.000 0.855 500 E CA 0.952 57.271 56.400 -0.134 0.000 1.122 500 E CB -2.279 27.425 29.700 0.007 0.000 1.569 500 E HN 0.582 nan 8.360 nan 0.000 0.429 501 T N -0.975 113.377 114.554 -0.338 0.000 2.812 501 T HA -0.053 4.297 4.350 -0.000 0.000 0.264 501 T C 0.549 174.904 174.700 -0.574 0.000 1.042 501 T CA 1.461 63.240 62.100 -0.535 0.000 1.140 501 T CB -0.026 68.353 68.868 -0.816 0.000 0.870 501 T HN 0.223 nan 8.240 nan 0.000 0.445 502 Y N -0.818 119.386 120.300 -0.160 0.000 2.630 502 Y HA 0.688 5.238 4.550 0.000 0.000 0.337 502 Y C -0.236 175.697 175.900 0.054 0.000 1.051 502 Y CA -1.586 56.508 58.100 -0.011 0.000 1.121 502 Y CB 1.462 39.997 38.460 0.125 0.000 1.299 502 Y HN -0.119 nan 8.280 nan 0.000 0.498 503 I N 1.561 122.384 120.570 0.423 0.000 2.500 503 I HA 0.519 4.689 4.170 -0.000 0.000 0.286 503 I C -0.937 175.483 176.117 0.504 0.000 1.063 503 I CA -0.852 60.670 61.300 0.370 0.000 1.062 503 I CB 1.666 39.770 38.000 0.172 0.000 1.223 503 I HN 0.693 nan 8.210 nan 0.000 0.435 504 A N 5.246 128.412 122.820 0.577 0.000 2.301 504 A HA 0.920 5.240 4.320 -0.000 0.000 0.312 504 A C -0.333 177.473 177.584 0.371 0.000 1.182 504 A CA -0.346 51.987 52.037 0.493 0.000 0.826 504 A CB 1.052 20.342 19.000 0.483 0.000 1.134 504 A HN 0.826 nan 8.150 nan 0.000 0.501 505 A N 1.838 124.860 122.820 0.337 0.000 2.437 505 A HA 0.771 5.091 4.320 -0.000 0.000 0.293 505 A C -0.051 177.676 177.584 0.237 0.000 1.038 505 A CA 0.123 52.317 52.037 0.263 0.000 0.708 505 A CB 1.260 20.398 19.000 0.230 0.000 1.251 505 A HN 1.834 nan 8.150 nan 0.000 0.409 506 G N 1.094 110.017 108.800 0.206 0.000 2.498 506 G HA2 0.648 4.608 3.960 -0.000 0.000 0.312 506 G HA3 0.648 4.608 3.960 -0.000 0.000 0.312 506 G C -1.005 173.978 174.900 0.138 0.000 1.230 506 G CA -0.411 44.788 45.100 0.165 0.000 0.968 506 G HN 0.869 nan 8.290 nan 0.000 0.481 507 D N -1.235 119.234 120.400 0.114 0.000 2.506 507 D HA 0.542 5.182 4.640 -0.000 0.000 0.254 507 D C 0.959 177.299 176.300 0.067 0.000 1.089 507 D CA -0.616 53.443 54.000 0.099 0.000 1.050 507 D CB 0.891 41.758 40.800 0.112 0.000 1.221 507 D HN 0.577 nan 8.370 nan 0.000 0.589 511 K N 1.183 121.630 120.400 0.079 0.000 2.156 511 K HA 0.750 5.070 4.320 -0.000 0.000 0.271 511 K C -0.792 175.899 176.600 0.153 0.000 0.995 511 K CA -0.549 55.906 56.287 0.280 0.000 0.890 511 K CB 0.776 33.511 32.500 0.391 0.000 1.073 511 K HN 0.080 nan 8.250 nan 0.000 0.454 512 I N 5.658 126.308 120.570 0.132 0.000 2.498 512 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 512 I C -0.840 175.328 176.117 0.085 0.000 1.032 512 I CA -0.978 60.405 61.300 0.138 0.000 1.073 512 I CB 1.767 39.856 38.000 0.148 0.000 1.251 512 I HN 0.466 nan 8.210 nan 0.000 0.426 513 L N 5.970 127.231 121.223 0.063 0.000 2.362 513 L HA 0.529 4.869 4.340 -0.000 0.000 0.271 513 L C -0.972 175.799 176.870 -0.165 0.000 1.002 513 L CA -0.838 53.908 54.840 -0.157 0.000 0.818 513 L CB 2.462 44.378 42.059 -0.239 0.000 1.298 513 L HN 0.380 nan 8.230 nan 0.000 0.420 514 L N 3.131 124.083 121.223 -0.452 0.000 2.287 514 L HA 0.498 4.838 4.340 -0.000 0.000 0.287 514 L C -1.276 175.473 176.870 -0.201 0.000 1.022 514 L CA -0.108 54.553 54.840 -0.298 0.000 0.814 514 L CB 0.935 42.556 42.059 -0.729 0.000 1.217 514 L HN 0.460 nan 8.230 nan 0.000 0.420 515 Y N 2.524 122.857 120.300 0.055 0.000 2.457 515 Y HA 0.324 4.874 4.550 -0.000 0.000 0.333 515 Y C 0.479 176.484 175.900 0.176 0.000 1.119 515 Y CA -0.757 57.392 58.100 0.081 0.000 1.143 515 Y CB 1.230 39.735 38.460 0.075 0.000 1.230 515 Y HN 0.502 nan 8.280 nan 0.000 0.469 516 D N 3.047 123.621 120.400 0.290 0.000 2.347 516 D HA 0.050 4.690 4.640 -0.000 0.000 0.235 516 D C 0.768 177.117 176.300 0.081 0.000 1.149 516 D CA 0.026 54.134 54.000 0.180 0.000 0.850 516 D CB 1.178 42.038 40.800 0.100 0.000 1.061 516 D HN 0.777 nan 8.370 nan 0.000 0.487 517 L N 4.101 125.326 121.223 0.003 0.000 1.989 517 L HA -0.258 4.082 4.340 -0.000 0.000 0.211 517 L C 2.187 178.969 176.870 -0.147 0.000 1.071 517 L CA 1.525 56.332 54.840 -0.056 0.000 0.749 517 L CB -0.050 41.911 42.059 -0.163 0.000 0.890 517 L HN 0.418 nan 8.230 nan 0.000 0.431 518 Q N 0.057 119.749 119.800 -0.181 0.000 2.084 518 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 518 Q C 2.250 178.119 176.000 -0.217 0.000 0.978 518 Q CA 2.207 57.883 55.803 -0.211 0.000 0.844 518 Q CB -0.238 28.405 28.738 -0.159 0.000 0.898 518 Q HN 0.709 nan 8.270 nan 0.000 0.426 519 S N -0.275 115.343 115.700 -0.137 0.000 2.556 519 S HA 0.064 4.534 4.470 -0.000 0.000 0.216 519 S C 0.226 174.778 174.600 -0.082 0.000 0.970 519 S CA 0.148 58.283 58.200 -0.108 0.000 0.912 519 S CB -0.130 63.035 63.200 -0.058 0.000 0.790 519 S HN 0.485 nan 8.310 nan 0.000 0.504 520 R N 0.119 120.581 120.500 -0.063 0.000 3.484 520 R HA -0.223 4.117 4.340 -0.000 0.000 0.260 520 R C -0.668 175.708 176.300 0.128 0.000 1.053 520 R CA 1.332 57.457 56.100 0.042 0.000 0.703 520 R CB -2.763 27.534 30.300 -0.005 0.000 1.089 520 R HN 0.624 nan 8.270 nan 0.000 0.459 521 E N 0.109 120.378 120.200 0.116 0.000 2.221 521 E HA 0.468 4.818 4.350 -0.000 0.000 0.268 521 E C -0.496 176.148 176.600 0.073 0.000 0.933 521 E CA -0.920 55.534 56.400 0.090 0.000 0.809 521 E CB 1.971 31.685 29.700 0.022 0.000 1.190 521 E HN 0.181 nan 8.360 nan 0.000 0.406 522 V N 4.946 124.820 119.914 -0.067 0.000 2.529 522 V HA 0.011 4.130 4.120 -0.000 0.000 0.292 522 V C 1.373 177.358 176.094 -0.181 0.000 1.028 522 V CA 0.500 62.624 62.300 -0.293 0.000 1.074 522 V CB 1.036 32.645 31.823 -0.357 0.000 0.958 522 V HN 0.742 nan 8.190 nan 0.000 0.481 523 K N 2.675 122.966 120.400 -0.183 0.000 2.262 523 K HA 0.080 4.400 4.320 -0.000 0.000 0.200 523 K C 0.604 177.063 176.600 -0.234 0.000 1.049 523 K CA 0.819 57.027 56.287 -0.131 0.000 0.979 523 K CB 0.463 32.937 32.500 -0.043 0.000 0.773 523 K HN 0.713 nan 8.250 nan 0.000 0.474 524 T N -0.628 113.702 114.554 -0.374 0.000 3.291 524 T HA 0.113 4.463 4.350 -0.000 0.000 0.344 524 T C -0.710 173.692 174.700 -0.497 0.000 1.293 524 T CA -0.646 61.195 62.100 -0.431 0.000 1.108 524 T CB 1.479 70.013 68.868 -0.557 0.000 1.231 524 T HN 0.071 nan 8.240 nan 0.000 0.474 525 S N 3.284 118.783 115.700 -0.335 0.000 2.749 525 S HA 0.244 4.714 4.470 -0.000 0.000 0.246 525 S C 1.316 175.820 174.600 -0.160 0.000 1.023 525 S CA -0.514 57.532 58.200 -0.256 0.000 1.012 525 S CB 0.393 63.482 63.200 -0.184 0.000 0.942 525 S HN 0.543 nan 8.310 nan 0.000 0.531 526 R N 0.950 121.339 120.500 -0.185 0.000 2.161 526 R HA 0.223 4.563 4.340 -0.000 0.000 0.213 526 R C -0.141 176.226 176.300 0.113 0.000 1.055 526 R CA 0.029 56.107 56.100 -0.037 0.000 0.996 526 R CB -0.439 29.846 30.300 -0.024 0.000 0.901 526 R HN 0.472 nan 8.270 nan 0.000 0.456 527 W N 1.876 123.095 121.300 -0.135 0.000 2.435 527 W HA 0.113 4.773 4.660 -0.000 0.000 0.337 527 W C 0.374 176.852 176.519 -0.068 0.000 1.300 527 W CA -0.682 56.513 57.345 -0.249 0.000 1.298 527 W CB -0.902 28.080 29.460 -0.796 0.000 1.217 527 W HN 0.178 nan 8.180 nan 0.000 0.565 528 A N 5.647 128.704 122.820 0.395 0.000 2.580 528 A HA 0.010 4.330 4.320 -0.000 0.000 0.244 528 A C -0.298 177.505 177.584 0.365 0.000 1.045 528 A CA -0.199 52.072 52.037 0.391 0.000 0.761 528 A CB -0.339 18.931 19.000 0.449 0.000 0.962 528 A HN 0.439 nan 8.150 nan 0.000 0.512 529 F N 2.551 122.588 119.950 0.146 0.000 2.518 529 F HA 0.277 4.804 4.527 -0.000 0.000 0.359 529 F C 1.333 177.177 175.800 0.075 0.000 1.118 529 F CA 0.181 58.233 58.000 0.087 0.000 1.287 529 F CB 0.699 39.732 39.000 0.055 0.000 1.132 529 F HN 0.660 nan 8.300 nan 0.000 0.587 530 R N 1.733 121.834 120.500 -0.665 0.000 2.437 530 R HA 0.081 4.421 4.340 -0.000 0.000 0.257 530 R C 0.063 176.010 176.300 -0.589 0.000 0.927 530 R CA 0.771 56.555 56.100 -0.528 0.000 1.078 530 R CB 0.066 30.060 30.300 -0.510 0.000 1.161 530 R HN 0.901 nan 8.270 nan 0.000 0.529 531 T N 0.861 114.770 114.554 -1.075 0.000 3.882 531 T HA -0.193 4.157 4.350 -0.000 0.000 0.366 531 T C -0.373 174.148 174.700 -0.299 0.000 0.760 531 T CA 1.395 63.218 62.100 -0.463 0.000 1.931 531 T CB -1.243 67.595 68.868 -0.050 0.000 1.807 531 T HN 0.329 nan 8.240 nan 0.000 0.790 532 S N -0.392 115.087 115.700 -0.367 0.000 2.583 532 S HA 0.435 4.905 4.470 -0.000 0.000 0.294 532 S C -0.584 173.890 174.600 -0.210 0.000 1.121 532 S CA -0.995 57.068 58.200 -0.228 0.000 0.910 532 S CB 1.365 64.430 63.200 -0.225 0.000 1.102 532 S HN 0.651 nan 8.310 nan 0.000 0.451 533 K N 3.072 123.398 120.400 -0.123 0.000 2.527 533 K HA 0.212 4.532 4.320 -0.000 0.000 0.278 533 K C -0.727 175.819 176.600 -0.091 0.000 0.981 533 K CA 0.189 56.429 56.287 -0.079 0.000 1.009 533 K CB 0.137 32.616 32.500 -0.035 0.000 0.895 533 K HN 0.488 nan 8.250 nan 0.000 0.493 534 I N 4.423 124.964 120.570 -0.049 0.000 2.342 534 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 534 I C 0.589 176.696 176.117 -0.016 0.000 1.010 534 I CA -0.038 61.235 61.300 -0.044 0.000 1.308 534 I CB 1.453 39.463 38.000 0.017 0.000 1.400 534 I HN 0.666 nan 8.210 nan 0.000 0.488 535 N N 4.562 123.201 118.700 -0.101 0.000 2.250 535 N HA 0.410 5.150 4.740 -0.000 0.000 0.190 535 N C -0.143 175.085 175.510 -0.469 0.000 1.116 535 N CA 0.085 53.047 53.050 -0.148 0.000 0.881 535 N CB 1.015 39.420 38.487 -0.137 0.000 1.006 535 N HN 0.642 nan 8.380 nan 0.000 0.491 536 A N 0.440 122.943 122.820 -0.528 0.000 2.566 536 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 536 A C -1.540 175.798 177.584 -0.411 0.000 1.059 536 A CA -0.515 50.992 52.037 -0.884 0.000 0.691 536 A CB 1.175 19.849 19.000 -0.542 0.000 1.282 536 A HN 0.022 nan 8.150 nan 0.000 0.401 537 I N 0.991 121.414 120.570 -0.246 0.000 2.571 537 I HA 0.578 4.748 4.170 -0.000 0.000 0.289 537 I C -0.359 175.881 176.117 0.204 0.000 1.115 537 I CA -0.416 60.943 61.300 0.098 0.000 1.045 537 I CB 2.367 40.558 38.000 0.319 0.000 1.238 537 I HN 0.543 nan 8.210 nan 0.000 0.424 538 S N 5.058 120.843 115.700 0.142 0.000 2.619 538 S HA 0.510 4.980 4.470 -0.000 0.000 0.280 538 S C -1.686 173.128 174.600 0.357 0.000 1.150 538 S CA -0.456 57.934 58.200 0.317 0.000 0.978 538 S CB 0.767 64.153 63.200 0.311 0.000 1.041 538 S HN 0.417 nan 8.310 nan 0.000 0.485 539 W N 4.076 125.550 121.300 0.290 0.000 2.266 539 W HA 0.378 5.038 4.660 0.000 0.000 0.317 539 W C 0.750 177.180 176.519 -0.149 0.000 1.310 539 W CA -0.367 57.064 57.345 0.143 0.000 1.207 539 W CB 0.496 30.029 29.460 0.122 0.000 1.199 539 W HN 0.589 nan 8.180 nan 0.000 0.544 540 K N 6.159 126.368 120.400 -0.317 0.000 2.322 540 K HA 0.197 4.517 4.320 -0.000 0.000 0.283 540 K C -1.980 174.308 176.600 -0.520 0.000 1.042 540 K CA -1.206 54.344 56.287 -1.229 0.000 0.958 540 K CB 0.544 32.202 32.500 -1.404 0.000 0.984 540 K HN 0.151 nan 8.250 nan 0.000 0.473 541 P HA 0.171 nan 4.420 nan 0.000 0.284 541 P C -1.196 176.016 177.300 -0.147 0.000 1.258 541 P CA -0.629 62.374 63.100 -0.161 0.000 0.824 541 P CB 1.465 33.131 31.700 -0.058 0.000 1.038 542 A N 1.565 124.347 122.820 -0.063 0.000 2.371 542 A HA 0.242 4.562 4.320 -0.000 0.000 0.257 542 A C 0.675 178.248 177.584 -0.019 0.000 1.089 542 A CA -0.113 51.900 52.037 -0.040 0.000 0.794 542 A CB -0.270 18.723 19.000 -0.011 0.000 1.029 542 A HN 0.588 nan 8.150 nan 0.000 0.488 551 I N 0.877 121.462 120.570 0.025 0.000 2.676 551 I HA -0.044 4.126 4.170 -0.000 0.000 0.259 551 I C 0.268 176.410 176.117 0.042 0.000 1.194 551 I CA 0.559 61.874 61.300 0.025 0.000 1.473 551 I CB -0.191 37.820 38.000 0.019 0.000 1.096 551 I HN 0.410 nan 8.210 nan 0.000 0.443 552 E N 2.841 123.074 120.200 0.055 0.000 2.585 552 E HA -0.041 4.309 4.350 -0.000 0.000 0.252 552 E C -0.087 176.592 176.600 0.130 0.000 0.981 552 E CA 0.148 56.602 56.400 0.091 0.000 0.943 552 E CB 0.152 29.908 29.700 0.094 0.000 0.923 552 E HN 0.324 nan 8.360 nan 0.000 0.486 553 E N 2.354 122.666 120.200 0.186 0.000 2.442 553 E HA -0.099 4.251 4.350 -0.000 0.000 0.262 553 E C 0.053 176.843 176.600 0.317 0.000 1.004 553 E CA 0.460 57.029 56.400 0.283 0.000 0.928 553 E CB 0.596 30.500 29.700 0.340 0.000 0.937 553 E HN 0.513 nan 8.360 nan 0.000 0.446 554 D N 1.203 121.781 120.400 0.298 0.000 2.630 554 D HA 0.025 4.665 4.640 -0.000 0.000 0.137 554 D C -0.612 175.773 176.300 0.141 0.000 1.483 554 D CA -0.169 53.955 54.000 0.207 0.000 1.490 554 D CB 0.067 40.940 40.800 0.120 0.000 1.894 554 D HN 0.154 nan 8.370 nan 0.000 0.269 555 L N 2.251 123.504 121.223 0.051 0.000 2.416 555 L HA 0.414 4.754 4.340 -0.000 0.000 0.272 555 L C -0.246 176.563 176.870 -0.102 0.000 1.161 555 L CA -0.106 54.715 54.840 -0.032 0.000 0.845 555 L CB 1.133 43.170 42.059 -0.037 0.000 1.119 555 L HN 0.089 nan 8.230 nan 0.000 0.464 556 V N 2.956 122.741 119.914 -0.215 0.000 2.447 556 V HA 0.473 4.593 4.120 -0.000 0.000 0.292 556 V C 0.337 176.328 176.094 -0.172 0.000 1.021 556 V CA -0.960 61.127 62.300 -0.354 0.000 0.850 556 V CB 1.592 32.953 31.823 -0.770 0.000 1.005 556 V HN 0.902 nan 8.190 nan 0.000 0.426 557 A N 3.898 126.758 122.820 0.067 0.000 2.409 557 A HA 0.740 5.060 4.320 -0.000 0.000 0.262 557 A C 0.511 178.033 177.584 -0.103 0.000 1.113 557 A CA 0.151 52.172 52.037 -0.025 0.000 0.790 557 A CB 0.317 19.288 19.000 -0.048 0.000 1.046 557 A HN 1.063 nan 8.150 nan 0.000 0.496 558 T N 0.000 114.461 114.554 -0.156 0.000 2.916 558 T HA 0.703 5.053 4.350 -0.000 0.000 0.298 558 T C -0.165 174.427 174.700 -0.181 0.000 1.031 558 T CA -0.007 62.017 62.100 -0.127 0.000 0.993 558 T CB 1.663 70.523 68.868 -0.013 0.000 1.045 558 T HN 1.273 nan 8.240 nan 0.000 0.454 559 G N 1.254 109.939 108.800 -0.192 0.000 2.416 559 G HA2 0.635 4.595 3.960 -0.000 0.000 0.329 559 G HA3 0.635 4.595 3.960 -0.000 0.000 0.329 559 G C -0.532 174.251 174.900 -0.195 0.000 1.173 559 G CA -0.825 44.157 45.100 -0.197 0.000 0.929 559 G HN 1.197 nan 8.290 nan 0.000 0.475 560 S N 1.360 116.936 115.700 -0.207 0.000 2.599 560 S HA 0.386 4.856 4.470 -0.000 0.000 0.294 560 S C 0.846 175.354 174.600 -0.154 0.000 1.094 560 S CA -0.743 57.335 58.200 -0.203 0.000 0.931 560 S CB 1.856 64.876 63.200 -0.300 0.000 1.093 560 S HN 0.557 nan 8.310 nan 0.000 0.488 561 L N 1.373 122.518 121.223 -0.129 0.000 2.189 561 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 561 L C 1.417 178.231 176.870 -0.093 0.000 1.097 561 L CA 2.218 57.002 54.840 -0.094 0.000 0.764 561 L CB -0.945 41.067 42.059 -0.079 0.000 0.900 561 L HN 0.929 nan 8.230 nan 0.000 0.436 562 D N -1.994 118.331 120.400 -0.126 0.000 2.332 562 D HA -0.064 4.576 4.640 -0.000 0.000 0.244 562 D C 1.257 177.499 176.300 -0.096 0.000 1.136 562 D CA 0.952 54.885 54.000 -0.113 0.000 0.884 562 D CB -0.781 39.935 40.800 -0.139 0.000 0.906 562 D HN 0.525 nan 8.370 nan 0.000 0.520 563 T N -4.571 109.934 114.554 -0.081 0.000 5.979 563 T HA -0.238 4.112 4.350 -0.000 0.000 0.273 563 T C 0.076 174.734 174.700 -0.070 0.000 2.195 563 T CA 0.635 62.708 62.100 -0.045 0.000 3.693 563 T CB -2.498 66.349 68.868 -0.034 0.000 0.944 563 T HN 0.358 nan 8.240 nan 0.000 1.117 564 N N 0.992 119.616 118.700 -0.127 0.000 2.495 564 N HA 0.716 5.456 4.740 -0.000 0.000 0.280 564 N C -0.161 175.246 175.510 -0.172 0.000 1.168 564 N CA -0.514 52.458 53.050 -0.130 0.000 0.978 564 N CB 1.088 39.515 38.487 -0.100 0.000 1.191 564 N HN 0.555 nan 8.380 nan 0.000 0.497 565 I N 1.440 121.926 120.570 -0.138 0.000 2.410 565 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 565 I C -1.077 175.038 176.117 -0.003 0.000 1.009 565 I CA -0.525 60.651 61.300 -0.206 0.000 1.111 565 I CB 0.849 38.569 38.000 -0.465 0.000 1.262 565 I HN 0.147 nan 8.210 nan 0.000 0.443 566 F N 6.630 126.311 119.950 -0.448 0.000 2.449 566 F HA 0.508 5.035 4.527 -0.000 0.000 0.342 566 F C 0.129 175.507 175.800 -0.703 0.000 1.127 566 F CA -1.094 56.534 58.000 -0.620 0.000 0.975 566 F CB 1.615 40.122 39.000 -0.821 0.000 1.146 566 F HN 0.186 nan 8.300 nan 0.000 0.444 567 I N 5.446 125.732 120.570 -0.473 0.000 2.306 567 I HA 0.219 4.389 4.170 -0.000 0.000 0.288 567 I C -0.499 175.316 176.117 -0.502 0.000 1.036 567 I CA -0.550 60.527 61.300 -0.372 0.000 1.221 567 I CB 0.396 38.291 38.000 -0.174 0.000 1.385 567 I HN 0.476 nan 8.210 nan 0.000 0.472 568 Y N 3.677 123.663 120.300 -0.522 0.000 2.340 568 Y HA 0.351 4.901 4.550 -0.000 0.000 0.327 568 Y C 0.898 176.505 175.900 -0.488 0.000 1.321 568 Y CA -0.153 57.476 58.100 -0.785 0.000 1.433 568 Y CB 1.161 38.442 38.460 -1.966 0.000 1.373 568 Y HN 0.427 nan 8.280 nan 0.000 0.538 569 S N -0.534 115.158 115.700 -0.013 0.000 2.532 569 S HA 0.369 4.839 4.470 -0.000 0.000 0.299 569 S C 0.117 175.010 174.600 0.488 0.000 1.105 569 S CA -0.705 57.610 58.200 0.192 0.000 1.018 569 S CB 1.177 64.450 63.200 0.123 0.000 1.021 569 S HN 0.492 nan 8.310 nan 0.000 0.483 570 V N 6.183 126.314 119.914 0.362 0.000 2.488 570 V HA -0.033 4.087 4.120 -0.000 0.000 0.246 570 V C 2.255 178.415 176.094 0.110 0.000 1.046 570 V CA 1.521 63.949 62.300 0.214 0.000 1.053 570 V CB -0.403 31.455 31.823 0.058 0.000 0.679 570 V HN 0.799 nan 8.190 nan 0.000 0.458 571 K N 0.054 120.526 120.400 0.121 0.000 2.076 571 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 571 K C 0.891 177.541 176.600 0.084 0.000 1.051 571 K CA 0.790 57.129 56.287 0.086 0.000 0.949 571 K CB 0.064 32.611 32.500 0.079 0.000 0.726 571 K HN 0.300 nan 8.250 nan 0.000 0.443 572 R N 1.226 121.794 120.500 0.113 0.000 2.564 572 R HA 0.255 4.595 4.340 -0.000 0.000 0.282 572 R C -2.687 173.717 176.300 0.172 0.000 1.573 572 R CA -1.698 54.465 56.100 0.105 0.000 1.588 572 R CB 1.249 31.592 30.300 0.072 0.000 1.154 572 R HN 0.020 nan 8.270 nan 0.000 0.606 576 I N 5.294 125.771 120.570 -0.155 0.000 2.533 576 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 576 I C -0.442 175.462 176.117 -0.356 0.000 1.056 576 I CA -1.023 60.083 61.300 -0.323 0.000 1.057 576 I CB 2.072 39.780 38.000 -0.487 0.000 1.240 576 I HN 0.450 nan 8.210 nan 0.000 0.423 577 I N 6.462 126.812 120.570 -0.366 0.000 2.330 577 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 577 I C -0.229 175.642 176.117 -0.410 0.000 1.001 577 I CA -0.537 60.581 61.300 -0.303 0.000 1.193 577 I CB 1.027 38.913 38.000 -0.190 0.000 1.345 577 I HN 0.596 nan 8.210 nan 0.000 0.461 578 K N 5.030 125.172 120.400 -0.429 0.000 2.350 578 K HA 0.948 5.268 4.320 -0.000 0.000 0.241 578 K C -1.109 175.307 176.600 -0.306 0.000 0.994 578 K CA -1.026 54.994 56.287 -0.445 0.000 0.839 578 K CB 2.691 34.756 32.500 -0.726 0.000 1.244 578 K HN 0.499 nan 8.250 nan 0.000 0.443 579 A N 2.876 125.522 122.820 -0.288 0.000 2.605 579 A HA 0.385 4.704 4.320 -0.000 0.000 0.293 579 A C -0.709 176.753 177.584 -0.203 0.000 1.216 579 A CA -0.857 50.988 52.037 -0.321 0.000 0.742 579 A CB 0.235 18.803 19.000 -0.720 0.000 1.170 579 A HN 0.641 nan 8.150 nan 0.000 0.443 580 L N 1.724 122.891 121.223 -0.093 0.000 2.436 580 L HA 0.298 4.638 4.340 -0.000 0.000 0.265 580 L C 0.338 177.186 176.870 -0.037 0.000 1.168 580 L CA -0.694 54.124 54.840 -0.036 0.000 0.815 580 L CB 0.309 42.364 42.059 -0.008 0.000 1.109 580 L HN 0.808 nan 8.230 nan 0.000 0.462 581 N N 0.674 119.352 118.700 -0.036 0.000 2.740 581 N HA -0.225 4.515 4.740 -0.000 0.000 0.248 581 N C 0.722 176.218 175.510 -0.025 0.000 1.062 581 N CA 0.846 53.878 53.050 -0.031 0.000 0.704 581 N CB -0.890 37.583 38.487 -0.022 0.000 0.968 581 N HN 0.853 nan 8.380 nan 0.000 0.547 582 A N -0.164 122.625 122.820 -0.051 0.000 1.897 582 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 582 A C 0.622 177.980 177.584 -0.376 0.000 1.181 582 A CA 1.275 53.268 52.037 -0.073 0.000 0.620 582 A CB 0.098 19.028 19.000 -0.117 0.000 0.821 582 A HN 0.517 nan 8.150 nan 0.000 0.443 583 H N -1.022 118.080 119.070 0.054 0.000 3.017 583 H HA 0.244 4.800 4.556 -0.000 0.000 0.340 583 H C -0.970 174.353 175.328 -0.008 0.000 1.014 583 H CA -0.817 55.250 56.048 0.032 0.000 1.341 583 H CB 1.091 30.867 29.762 0.024 0.000 1.739 583 H HN 0.306 nan 8.280 nan 0.000 0.506 584 K N 2.623 123.077 120.400 0.091 0.000 2.451 584 K HA -0.069 4.251 4.320 -0.000 0.000 0.280 584 K C -0.217 176.401 176.600 0.029 0.000 1.020 584 K CA 0.507 56.803 56.287 0.015 0.000 1.008 584 K CB 0.290 32.768 32.500 -0.036 0.000 0.917 584 K HN 0.672 nan 8.250 nan 0.000 0.478 585 D N 1.447 121.845 120.400 -0.005 0.000 3.077 585 D HA -0.160 4.480 4.640 -0.000 0.000 0.212 585 D C 0.041 176.336 176.300 -0.008 0.000 1.125 585 D CA 1.649 55.644 54.000 -0.009 0.000 0.970 585 D CB -1.433 39.367 40.800 0.000 0.000 1.110 585 D HN 1.013 nan 8.370 nan 0.000 0.419 586 G N -1.358 107.445 108.800 0.005 0.000 2.841 586 G HA2 0.097 4.057 3.960 -0.000 0.000 0.684 586 G HA3 0.097 4.057 3.960 -0.000 0.000 0.684 586 G C -0.494 174.403 174.900 -0.005 0.000 1.273 586 G CA -0.397 44.694 45.100 -0.013 0.000 0.811 586 G HN 0.440 nan 8.290 nan 0.000 0.631 587 V N 2.953 122.859 119.914 -0.012 0.000 2.470 587 V HA 0.212 4.332 4.120 -0.000 0.000 0.276 587 V C 1.057 177.075 176.094 -0.127 0.000 1.040 587 V CA -0.064 62.218 62.300 -0.030 0.000 1.008 587 V CB 1.381 33.199 31.823 -0.009 0.000 0.990 587 V HN 0.741 nan 8.190 nan 0.000 0.477 588 N N 3.091 121.679 118.700 -0.186 0.000 2.439 588 N HA 0.101 4.841 4.740 -0.000 0.000 0.176 588 N C 0.251 175.648 175.510 -0.189 0.000 1.029 588 N CA 0.572 53.520 53.050 -0.170 0.000 0.886 588 N CB 0.221 38.611 38.487 -0.160 0.000 1.057 588 N HN 0.642 nan 8.380 nan 0.000 0.437 589 N N -0.133 118.453 118.700 -0.190 0.000 2.329 589 N HA 0.436 5.176 4.740 -0.000 0.000 0.282 589 N C -1.346 174.080 175.510 -0.140 0.000 1.198 589 N CA -0.382 52.567 53.050 -0.168 0.000 0.790 589 N CB 2.723 41.141 38.487 -0.115 0.000 1.579 589 N HN -0.120 nan 8.380 nan 0.000 0.475 590 L N 1.630 122.775 121.223 -0.130 0.000 2.482 590 L HA 0.602 4.941 4.340 -0.000 0.000 0.263 590 L C -1.340 175.495 176.870 -0.059 0.000 0.957 590 L CA -0.485 54.283 54.840 -0.120 0.000 0.836 590 L CB 2.385 44.339 42.059 -0.175 0.000 1.324 590 L HN 0.322 nan 8.230 nan 0.000 0.406 591 L N 0.903 122.080 121.223 -0.076 0.000 2.518 591 L HA 0.411 4.751 4.340 -0.000 0.000 0.257 591 L C -1.735 175.111 176.870 -0.039 0.000 0.980 591 L CA -0.428 54.432 54.840 0.034 0.000 0.837 591 L CB 2.599 44.711 42.059 0.087 0.000 1.410 591 L HN 0.476 nan 8.230 nan 0.000 0.410 592 W N 1.657 123.009 121.300 0.087 0.000 2.283 592 W HA 0.318 4.978 4.660 -0.000 0.000 0.317 592 W C 1.199 177.767 176.519 0.081 0.000 1.042 592 W CA -0.418 56.977 57.345 0.084 0.000 1.348 592 W CB 0.969 30.483 29.460 0.090 0.000 1.216 592 W HN 0.586 nan 8.180 nan 0.000 0.404 593 E N 0.737 121.068 120.200 0.219 0.000 2.482 593 E HA 0.043 4.393 4.350 -0.000 0.000 0.196 593 E C 0.191 176.898 176.600 0.178 0.000 1.047 593 E CA 0.680 57.180 56.400 0.166 0.000 0.869 593 E CB 0.363 30.121 29.700 0.097 0.000 0.836 593 E HN 0.197 nan 8.360 nan 0.000 0.520 594 T N 0.089 114.790 114.554 0.244 0.000 2.840 594 T HA 0.204 4.554 4.350 -0.000 0.000 0.317 594 T C -2.517 172.368 174.700 0.308 0.000 1.401 594 T CA -1.413 60.816 62.100 0.215 0.000 1.028 594 T CB 1.843 70.806 68.868 0.158 0.000 1.317 594 T HN -0.304 nan 8.240 nan 0.000 0.495 595 P HA -0.056 nan 4.420 nan 0.000 0.221 595 P C 0.942 178.372 177.300 0.218 0.000 1.145 595 P CA 0.906 64.068 63.100 0.104 0.000 0.795 595 P CB 0.200 31.919 31.700 0.033 0.000 0.775 596 S N -3.461 112.411 115.700 0.286 0.000 2.629 596 S HA 0.158 4.628 4.470 -0.000 0.000 0.236 596 S C 0.358 175.145 174.600 0.311 0.000 1.010 596 S CA -0.235 58.151 58.200 0.309 0.000 0.981 596 S CB -0.737 62.565 63.200 0.170 0.000 0.919 596 S HN 0.103 nan 8.310 nan 0.000 0.514 597 T N 0.112 114.863 114.554 0.328 0.000 2.890 597 T HA 0.636 4.986 4.350 -0.000 0.000 0.295 597 T C -0.836 173.883 174.700 0.032 0.000 0.993 597 T CA -0.663 61.531 62.100 0.157 0.000 0.979 597 T CB 1.309 70.241 68.868 0.107 0.000 0.967 597 T HN 0.272 nan 8.240 nan 0.000 0.441 598 L N 3.812 124.924 121.223 -0.185 0.000 2.307 598 L HA 0.723 5.063 4.340 -0.000 0.000 0.282 598 L C -0.798 176.049 176.870 -0.039 0.000 1.051 598 L CA -0.998 53.573 54.840 -0.449 0.000 0.804 598 L CB 1.465 43.059 42.059 -0.774 0.000 1.197 598 L HN 0.591 nan 8.230 nan 0.000 0.431 599 V N 3.076 122.946 119.914 -0.073 0.000 2.459 599 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 599 V C -0.074 176.052 176.094 0.054 0.000 1.029 599 V CA -0.471 61.846 62.300 0.028 0.000 0.874 599 V CB 1.809 33.621 31.823 -0.017 0.000 0.985 599 V HN 0.884 nan 8.190 nan 0.000 0.438 600 S N 2.630 118.441 115.700 0.186 0.000 2.568 600 S HA 0.905 5.375 4.470 -0.000 0.000 0.293 600 S C -0.477 174.185 174.600 0.102 0.000 1.089 600 S CA -0.536 57.786 58.200 0.203 0.000 0.945 600 S CB 2.107 65.601 63.200 0.491 0.000 1.077 600 S HN 1.086 nan 8.310 nan 0.000 0.485 601 S N 0.464 116.064 115.700 -0.166 0.000 2.548 601 S HA 0.938 5.408 4.470 -0.000 0.000 0.286 601 S C -0.098 174.017 174.600 -0.807 0.000 1.098 601 S CA -0.505 57.453 58.200 -0.402 0.000 0.930 601 S CB 1.303 64.364 63.200 -0.231 0.000 1.070 601 S HN 1.493 nan 8.310 nan 0.000 0.480 602 G N -0.242 108.014 108.800 -0.907 0.000 2.733 602 G HA2 0.675 4.635 3.960 -0.000 0.000 0.288 602 G HA3 0.675 4.635 3.960 -0.000 0.000 0.288 602 G C 0.590 175.363 174.900 -0.212 0.000 1.373 602 G CA -0.452 44.273 45.100 -0.626 0.000 0.895 602 G HN 1.208 nan 8.290 nan 0.000 0.479 603 A N -0.316 122.458 122.820 -0.077 0.000 2.121 603 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 603 A C 1.635 179.249 177.584 0.049 0.000 1.154 603 A CA 2.061 54.103 52.037 0.007 0.000 0.679 603 A CB -0.304 18.712 19.000 0.026 0.000 0.795 603 A HN 0.626 nan 8.150 nan 0.000 0.458 604 D N -1.563 118.878 120.400 0.069 0.000 2.319 604 D HA 0.331 4.971 4.640 -0.000 0.000 0.230 604 D C 0.782 177.159 176.300 0.128 0.000 1.094 604 D CA 0.607 54.693 54.000 0.144 0.000 0.856 604 D CB -0.503 40.427 40.800 0.217 0.000 0.915 604 D HN 0.894 nan 8.370 nan 0.000 0.517 605 A N -1.388 121.439 122.820 0.012 0.000 2.861 605 A HA -0.229 4.090 4.320 -0.000 0.000 0.261 605 A C 0.608 178.186 177.584 -0.011 0.000 1.351 605 A CA 0.668 52.680 52.037 -0.042 0.000 0.904 605 A CB -2.646 16.339 19.000 -0.025 0.000 1.076 605 A HN 0.501 nan 8.150 nan 0.000 0.729 606 C N -0.614 118.711 119.300 0.041 0.000 2.358 606 C HA 0.788 5.248 4.460 -0.000 0.000 0.354 606 C C 0.587 175.611 174.990 0.057 0.000 1.183 606 C CA -0.523 58.542 59.018 0.079 0.000 2.150 606 C CB 0.964 28.840 27.740 0.226 0.000 2.361 606 C HN 0.521 nan 8.230 nan 0.000 0.535 607 I N 1.982 122.552 120.570 -0.000 0.000 2.465 607 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 607 I C -0.318 175.748 176.117 -0.085 0.000 1.014 607 I CA -0.304 60.962 61.300 -0.056 0.000 1.093 607 I CB 1.233 39.105 38.000 -0.214 0.000 1.267 607 I HN 0.563 nan 8.210 nan 0.000 0.431 608 K N 5.832 126.210 120.400 -0.036 0.000 2.371 608 K HA 0.633 4.953 4.320 -0.000 0.000 0.251 608 K C -0.979 175.381 176.600 -0.401 0.000 0.934 608 K CA -0.966 55.132 56.287 -0.316 0.000 0.798 608 K CB 2.850 35.052 32.500 -0.497 0.000 1.204 608 K HN 0.472 nan 8.250 nan 0.000 0.427 609 R N 1.651 121.816 120.500 -0.557 0.000 2.445 609 R HA 0.389 4.729 4.340 -0.000 0.000 0.308 609 R C -1.252 174.726 176.300 -0.537 0.000 0.961 609 R CA -0.657 55.220 56.100 -0.372 0.000 0.862 609 R CB 1.057 31.219 30.300 -0.230 0.000 1.144 609 R HN 0.481 nan 8.270 nan 0.000 0.447 610 W N 1.315 122.540 121.300 -0.126 0.000 2.761 610 W HA 0.411 5.071 4.660 -0.000 0.000 0.340 610 W C -0.137 176.328 176.519 -0.090 0.000 1.072 610 W CA -0.783 56.492 57.345 -0.117 0.000 1.215 610 W CB 0.943 30.308 29.460 -0.158 0.000 1.420 610 W HN 0.246 nan 8.180 nan 0.000 0.519 611 N N 1.318 120.122 118.700 0.173 0.000 2.438 611 N HA 0.419 5.159 4.740 -0.000 0.000 0.282 611 N C -1.329 174.258 175.510 0.128 0.000 1.037 611 N CA -0.451 52.671 53.050 0.120 0.000 0.942 611 N CB 2.138 40.673 38.487 0.080 0.000 1.136 611 N HN 0.142 nan 8.380 nan 0.000 0.481 612 V N 3.090 123.090 119.914 0.143 0.000 2.313 612 V HA 0.215 4.335 4.120 -0.000 0.000 0.278 612 V C 0.815 176.984 176.094 0.125 0.000 1.017 612 V CA -0.722 61.666 62.300 0.147 0.000 0.823 612 V CB 1.180 33.170 31.823 0.277 0.000 1.010 612 V HN 0.324 nan 8.190 nan 0.000 0.443 613 V N 0.000 119.961 119.914 0.079 0.000 2.409 613 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 613 V CA 0.000 62.334 62.300 0.057 0.000 1.235 613 V CB 0.000 31.845 31.823 0.036 0.000 1.184 613 V HN 0.000 nan 8.190 nan 0.000 0.556