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 2wva_1_X DATA FIRST_RESID 1 DATA SEQUENCE MSYTVGTYLA ERLVQIGLKH HFAVAGDYNL VLLDNLLLNK NMEQVYCCNE DATA SEQUENCE LNCGFSAEGY ARAKGAAAAV VTYSVGALSA FDAIGGAYAE NLPVILISGA DATA SEQUENCE PNNNDHAAGH VLHHALGKTD YHYQLEMAKN ITAAAEAIYT PEEAPAKIDH DATA SEQUENCE VIKTALREKK PVYLEIACNI ASMPCAAPGP ASALFNDEAS DEASLNAAVE DATA SEQUENCE ETLKFIANRD KVAVLVGSKL RAAGAEEAAV KFADALGGAV ATMAAAKSFF DATA SEQUENCE PEENPHYIGT SWGEVSYPGV EKTMKEADAV IALAPVFNDY STTGWTDIPD DATA SEQUENCE PKKLVLAEPR SVVVNGIRFP SVHLKDYLTR LAQKVSKKTG ALDFFKSLNA DATA SEQUENCE GELKKAAPAD PSAPLVNAEI ARQVEALLTP NTTVIAETGD SWFNAQRMKL DATA SEQUENCE PNGARVEYEM QWGHIGWSVP AAFGYAVGAP ERRNILMVGD GSFQLTAQEV DATA SEQUENCE AQMVRLKLPV IIFLINNYGY TIEVMIHDGP YNNIKNWDYA GLMEVFNGNG DATA SEQUENCE GYDSGAGKGL KAKTGGELAE AIKVALANTD GPTLIECFIG REDCTEELVK DATA SEQUENCE WGKRVAAANS RKPVNK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.208 176.300 -0.153 0.000 1.140 1 M CA 0.000 55.223 55.300 -0.129 0.000 0.988 1 M CB 0.000 32.478 32.600 -0.203 0.000 1.302 2 S N 3.075 118.687 115.700 -0.146 0.000 2.687 2 S HA 0.787 5.257 4.470 0.000 0.000 0.283 2 S C -1.111 173.374 174.600 -0.192 0.000 1.170 2 S CA -0.481 57.688 58.200 -0.051 0.000 1.008 2 S CB 1.307 64.518 63.200 0.017 0.000 1.026 2 S HN 0.594 nan 8.310 nan 0.000 0.541 3 Y N 0.378 120.707 120.300 0.048 0.000 2.487 3 Y HA 0.571 5.121 4.550 0.000 0.000 0.337 3 Y C 1.114 177.052 175.900 0.063 0.000 1.076 3 Y CA -0.471 57.670 58.100 0.069 0.000 1.115 3 Y CB 2.020 40.557 38.460 0.129 0.000 1.235 3 Y HN 0.960 nan 8.280 nan 0.000 0.468 4 T N -2.624 112.049 114.554 0.198 0.000 2.948 4 T HA 0.340 4.690 4.350 0.000 0.000 0.285 4 T C 0.889 175.684 174.700 0.158 0.000 1.019 4 T CA -0.754 61.425 62.100 0.131 0.000 1.013 4 T CB 1.109 70.019 68.868 0.070 0.000 1.117 4 T HN 0.366 nan 8.240 nan 0.000 0.533 5 V N 1.766 121.727 119.914 0.079 0.000 2.317 5 V HA -0.127 3.993 4.120 0.000 0.000 0.251 5 V C 2.814 178.960 176.094 0.087 0.000 1.065 5 V CA 2.647 64.973 62.300 0.043 0.000 1.049 5 V CB -1.469 30.351 31.823 -0.005 0.000 0.651 5 V HN 1.110 nan 8.190 nan 0.000 0.450 6 G N -0.299 108.546 108.800 0.076 0.000 2.394 6 G HA2 -0.232 3.728 3.960 0.000 0.000 0.215 6 G HA3 -0.232 3.728 3.960 0.000 0.000 0.215 6 G C 1.748 176.702 174.900 0.090 0.000 1.165 6 G CA 1.418 46.555 45.100 0.061 0.000 0.784 6 G HN 0.587 nan 8.290 nan 0.000 0.535 7 T N -2.708 111.928 114.554 0.138 0.000 3.023 7 T HA -0.053 4.297 4.350 0.000 0.000 0.266 7 T C 2.064 176.963 174.700 0.331 0.000 1.093 7 T CA 1.014 63.221 62.100 0.178 0.000 1.129 7 T CB -0.341 68.588 68.868 0.101 0.000 0.899 7 T HN 0.244 nan 8.240 nan 0.000 0.491 8 Y N 1.681 122.105 120.300 0.208 0.000 2.114 8 Y HA 0.026 4.576 4.550 -0.000 0.000 0.284 8 Y C 2.178 178.067 175.900 -0.019 0.000 1.143 8 Y CA 1.332 59.457 58.100 0.042 0.000 1.135 8 Y CB -0.625 37.821 38.460 -0.023 0.000 0.980 8 Y HN 0.231 nan 8.280 nan 0.000 0.499 9 L N 0.684 122.054 121.223 0.245 0.000 2.012 9 L HA -0.152 4.188 4.340 0.000 0.000 0.210 9 L C 2.445 179.308 176.870 -0.011 0.000 1.073 9 L CA 2.298 57.197 54.840 0.099 0.000 0.748 9 L CB -1.404 40.679 42.059 0.040 0.000 0.891 9 L HN 0.260 nan 8.230 nan 0.000 0.431 10 A N -0.789 122.024 122.820 -0.012 0.000 1.908 10 A HA -0.284 4.036 4.320 0.000 0.000 0.218 10 A C 2.258 179.822 177.584 -0.034 0.000 1.181 10 A CA 1.927 53.934 52.037 -0.050 0.000 0.627 10 A CB -0.781 18.205 19.000 -0.024 0.000 0.818 10 A HN 0.602 nan 8.150 nan 0.000 0.445 11 E N -0.206 119.981 120.200 -0.022 0.000 2.047 11 E HA -0.163 4.187 4.350 0.000 0.000 0.191 11 E C 2.182 178.709 176.600 -0.120 0.000 0.987 11 E CA 1.179 57.545 56.400 -0.056 0.000 0.799 11 E CB -0.181 29.476 29.700 -0.071 0.000 0.752 11 E HN 0.357 nan 8.360 nan 0.000 0.449 12 R N 0.249 120.637 120.500 -0.186 0.000 2.091 12 R HA -0.107 4.233 4.340 0.000 0.000 0.238 12 R C 2.513 178.768 176.300 -0.075 0.000 1.136 12 R CA 1.263 57.272 56.100 -0.152 0.000 0.959 12 R CB -1.081 29.139 30.300 -0.132 0.000 0.856 12 R HN 0.348 nan 8.270 nan 0.000 0.437 13 L N 0.033 121.222 121.223 -0.058 0.000 2.046 13 L HA -0.142 4.198 4.340 0.000 0.000 0.208 13 L C 2.468 179.341 176.870 0.005 0.000 1.077 13 L CA 0.943 55.766 54.840 -0.028 0.000 0.747 13 L CB -0.556 41.474 42.059 -0.049 0.000 0.896 13 L HN -0.055 nan 8.230 nan 0.000 0.432 14 V N -0.426 119.484 119.914 -0.006 0.000 2.407 14 V HA -0.288 3.832 4.120 0.000 0.000 0.248 14 V C 2.419 178.532 176.094 0.030 0.000 1.055 14 V CA 1.607 63.914 62.300 0.011 0.000 1.049 14 V CB -0.476 31.347 31.823 -0.001 0.000 0.662 14 V HN 0.502 nan 8.190 nan 0.000 0.455 15 Q N -0.252 119.559 119.800 0.019 0.000 2.226 15 Q HA -0.089 4.251 4.340 0.000 0.000 0.204 15 Q C 1.999 178.100 176.000 0.168 0.000 0.975 15 Q CA 1.655 57.493 55.803 0.059 0.000 0.866 15 Q CB -0.151 28.598 28.738 0.018 0.000 0.915 15 Q HN 0.870 nan 8.270 nan 0.000 0.440 16 I N -4.667 115.989 120.570 0.143 0.000 3.812 16 I HA 0.360 4.530 4.170 0.000 0.000 0.320 16 I C 0.878 177.146 176.117 0.253 0.000 1.276 16 I CA 0.647 62.104 61.300 0.262 0.000 1.164 16 I CB 0.252 38.264 38.000 0.021 0.000 1.009 16 I HN 0.158 nan 8.210 nan 0.000 0.431 17 G N 1.469 110.362 108.800 0.156 0.000 2.179 17 G HA2 -0.180 3.780 3.960 0.000 0.000 0.220 17 G HA3 -0.180 3.780 3.960 0.000 0.000 0.220 17 G C -0.200 174.779 174.900 0.131 0.000 0.990 17 G CA -0.349 44.821 45.100 0.117 0.000 0.646 17 G HN 0.232 nan 8.290 nan 0.000 0.517 18 L N 0.884 122.196 121.223 0.148 0.000 2.455 18 L HA 0.411 4.751 4.340 0.000 0.000 0.272 18 L C 1.440 178.388 176.870 0.131 0.000 1.174 18 L CA 0.496 55.459 54.840 0.204 0.000 0.869 18 L CB 0.931 43.075 42.059 0.141 0.000 1.130 18 L HN 0.017 nan 8.230 nan 0.000 0.474 19 K N 2.200 122.720 120.400 0.201 0.000 2.355 19 K HA 0.250 4.570 4.320 0.000 0.000 0.198 19 K C -0.369 175.974 176.600 -0.427 0.000 1.039 19 K CA 0.060 56.308 56.287 -0.064 0.000 1.075 19 K CB 0.333 32.802 32.500 -0.052 0.000 0.870 19 K HN 0.612 nan 8.250 nan 0.000 0.540 20 H N -0.494 118.489 119.070 -0.145 0.000 3.016 20 H HA 0.349 4.905 4.556 0.000 0.000 0.362 20 H C -0.413 174.572 175.328 -0.572 0.000 1.233 20 H CA -0.965 54.791 56.048 -0.487 0.000 1.124 20 H CB 1.299 30.613 29.762 -0.746 0.000 1.850 20 H HN 0.050 nan 8.280 nan 0.000 0.549 21 H N 0.196 118.958 119.070 -0.514 0.000 2.821 21 H HA 0.488 5.044 4.556 0.000 0.000 0.373 21 H C -1.564 173.399 175.328 -0.608 0.000 1.165 21 H CA -0.925 54.857 56.048 -0.443 0.000 1.154 21 H CB 1.286 30.934 29.762 -0.190 0.000 1.765 21 H HN 0.352 nan 8.280 nan 0.000 0.549 22 F N 0.680 120.573 119.950 -0.095 0.000 2.450 22 F HA 0.699 5.226 4.527 -0.000 0.000 0.332 22 F C 0.303 176.116 175.800 0.022 0.000 1.093 22 F CA -0.370 57.577 58.000 -0.089 0.000 1.003 22 F CB 2.111 41.087 39.000 -0.040 0.000 1.151 22 F HN 0.867 nan 8.300 nan 0.000 0.474 23 A N 1.398 124.329 122.820 0.185 0.000 2.594 23 A HA 0.834 5.154 4.320 0.000 0.000 0.295 23 A C -1.940 175.806 177.584 0.270 0.000 1.071 23 A CA -0.730 51.440 52.037 0.222 0.000 0.685 23 A CB 1.605 20.746 19.000 0.236 0.000 1.285 23 A HN 0.493 nan 8.150 nan 0.000 0.405 24 V N 1.477 121.514 119.914 0.206 0.000 2.443 24 V HA 0.638 4.758 4.120 0.000 0.000 0.293 24 V C 0.695 176.868 176.094 0.132 0.000 1.021 24 V CA -0.332 62.065 62.300 0.162 0.000 0.848 24 V CB 1.146 33.030 31.823 0.102 0.000 0.998 24 V HN 1.502 nan 8.190 nan 0.000 0.424 25 A N 3.543 126.425 122.820 0.103 0.000 2.483 25 A HA 0.739 5.059 4.320 0.000 0.000 0.238 25 A C 0.653 178.286 177.584 0.081 0.000 1.070 25 A CA 0.712 52.795 52.037 0.076 0.000 0.770 25 A CB 0.314 19.317 19.000 0.004 0.000 1.008 25 A HN 1.444 nan 8.150 nan 0.000 0.497 26 G N 0.347 109.210 108.800 0.106 0.000 2.720 26 G HA2 0.458 4.418 3.960 0.000 0.000 0.295 26 G HA3 0.458 4.418 3.960 0.000 0.000 0.295 26 G C -0.013 174.965 174.900 0.130 0.000 1.437 26 G CA 0.229 45.416 45.100 0.145 0.000 0.886 26 G HN 0.693 nan 8.290 nan 0.000 0.509 27 D N -0.382 120.073 120.400 0.092 0.000 2.265 27 D HA -0.190 4.450 4.640 0.000 0.000 0.208 27 D C 1.123 177.409 176.300 -0.025 0.000 0.977 27 D CA 1.278 55.265 54.000 -0.022 0.000 0.871 27 D CB -0.144 40.580 40.800 -0.127 0.000 0.925 27 D HN 0.391 nan 8.370 nan 0.000 0.485 28 Y N 0.739 121.128 120.300 0.149 0.000 2.583 28 Y HA 0.037 4.587 4.550 0.000 0.000 0.293 28 Y C 1.416 177.359 175.900 0.072 0.000 1.157 28 Y CA 1.017 59.174 58.100 0.096 0.000 1.315 28 Y CB -0.234 38.290 38.460 0.107 0.000 1.021 28 Y HN 0.213 nan 8.280 nan 0.000 0.536 29 N N -1.622 117.199 118.700 0.202 0.000 2.118 29 N HA 0.032 4.772 4.740 0.000 0.000 0.226 29 N C 0.841 176.412 175.510 0.102 0.000 1.305 29 N CA 0.148 53.282 53.050 0.140 0.000 0.890 29 N CB -0.871 37.698 38.487 0.138 0.000 1.118 29 N HN 0.240 nan 8.380 nan 0.000 0.511 30 L N 0.003 121.276 121.223 0.082 0.000 2.012 30 L HA -0.090 4.250 4.340 0.000 0.000 0.210 30 L C 1.925 178.827 176.870 0.053 0.000 1.073 30 L CA 1.231 56.105 54.840 0.058 0.000 0.748 30 L CB -0.501 41.576 42.059 0.029 0.000 0.891 30 L HN 0.026 nan 8.230 nan 0.000 0.431 31 V N -0.196 119.746 119.914 0.047 0.000 2.358 31 V HA -0.262 3.858 4.120 0.000 0.000 0.246 31 V C 2.398 178.519 176.094 0.045 0.000 1.047 31 V CA 1.429 63.753 62.300 0.040 0.000 1.035 31 V CB -0.394 31.449 31.823 0.033 0.000 0.658 31 V HN 0.305 nan 8.190 nan 0.000 0.452 32 L N -0.011 121.242 121.223 0.051 0.000 2.013 32 L HA -0.199 4.141 4.340 0.000 0.000 0.212 32 L C 2.227 179.127 176.870 0.050 0.000 1.073 32 L CA 2.007 56.873 54.840 0.044 0.000 0.753 32 L CB -0.660 41.424 42.059 0.042 0.000 0.890 32 L HN 0.214 nan 8.230 nan 0.000 0.432 33 L N -0.762 120.507 121.223 0.077 0.000 2.079 33 L HA -0.242 4.098 4.340 0.000 0.000 0.210 33 L C 2.310 179.241 176.870 0.101 0.000 1.081 33 L CA 1.407 56.316 54.840 0.115 0.000 0.752 33 L CB -0.953 41.199 42.059 0.156 0.000 0.896 33 L HN 0.318 nan 8.230 nan 0.000 0.433 34 D N 0.061 120.504 120.400 0.072 0.000 2.104 34 D HA -0.186 4.454 4.640 0.000 0.000 0.194 34 D C 1.979 178.305 176.300 0.044 0.000 0.994 34 D CA 1.150 55.183 54.000 0.054 0.000 0.830 34 D CB -0.331 40.491 40.800 0.037 0.000 0.959 34 D HN 0.340 nan 8.370 nan 0.000 0.452 35 N N 0.262 118.984 118.700 0.037 0.000 2.188 35 N HA -0.079 4.661 4.740 0.000 0.000 0.184 35 N C 2.075 177.599 175.510 0.022 0.000 1.018 35 N CA 0.436 53.502 53.050 0.027 0.000 0.858 35 N CB -0.039 38.465 38.487 0.029 0.000 0.989 35 N HN 0.222 nan 8.380 nan 0.000 0.426 36 L N 1.001 122.235 121.223 0.019 0.000 2.141 36 L HA -0.091 4.249 4.340 0.000 0.000 0.209 36 L C 2.215 179.123 176.870 0.064 0.000 1.094 36 L CA 0.646 55.482 54.840 -0.008 0.000 0.763 36 L CB -0.277 41.723 42.059 -0.099 0.000 0.908 36 L HN 0.131 nan 8.230 nan 0.000 0.437 37 L N -0.592 120.680 121.223 0.083 0.000 2.362 37 L HA -0.172 4.168 4.340 0.000 0.000 0.219 37 L C 2.311 179.202 176.870 0.035 0.000 1.134 37 L CA 0.598 55.482 54.840 0.073 0.000 0.807 37 L CB -0.203 41.902 42.059 0.076 0.000 0.927 37 L HN 0.303 nan 8.230 nan 0.000 0.447 38 L N -0.743 120.493 121.223 0.022 0.000 2.201 38 L HA -0.134 4.206 4.340 0.000 0.000 0.212 38 L C 1.194 178.060 176.870 -0.008 0.000 1.105 38 L CA 0.477 55.317 54.840 0.000 0.000 0.775 38 L CB -0.427 41.625 42.059 -0.012 0.000 0.913 38 L HN 0.305 nan 8.230 nan 0.000 0.440 39 N N 1.049 119.751 118.700 0.002 0.000 2.415 39 N HA -0.003 4.737 4.740 0.000 0.000 0.246 39 N C 0.533 176.039 175.510 -0.006 0.000 1.078 39 N CA 0.107 53.156 53.050 -0.002 0.000 0.942 39 N CB 0.992 39.483 38.487 0.007 0.000 1.140 39 N HN 0.015 nan 8.380 nan 0.000 0.501 40 K N 2.269 122.659 120.400 -0.017 0.000 2.487 40 K HA 0.086 4.406 4.320 0.000 0.000 0.192 40 K C 0.451 177.026 176.600 -0.042 0.000 1.027 40 K CA 0.119 56.390 56.287 -0.028 0.000 1.054 40 K CB 0.274 32.759 32.500 -0.026 0.000 0.824 40 K HN 0.511 nan 8.250 nan 0.000 0.510 41 N N 1.238 119.917 118.700 -0.036 0.000 2.515 41 N HA -0.019 4.721 4.740 0.000 0.000 0.185 41 N C 0.767 176.232 175.510 -0.076 0.000 1.109 41 N CA 0.441 53.463 53.050 -0.047 0.000 0.903 41 N CB 0.120 38.591 38.487 -0.027 0.000 0.969 41 N HN 0.392 nan 8.380 nan 0.000 0.450 42 M N -1.636 117.915 119.600 -0.082 0.000 2.575 42 M HA 0.492 4.972 4.480 0.000 0.000 0.284 42 M C -1.366 174.827 176.300 -0.177 0.000 1.253 42 M CA -0.831 54.381 55.300 -0.146 0.000 0.861 42 M CB 2.573 35.138 32.600 -0.058 0.000 1.733 42 M HN -0.296 nan 8.290 nan 0.000 0.462 43 E N 0.966 120.964 120.200 -0.336 0.000 2.227 43 E HA 0.354 4.704 4.350 0.000 0.000 0.268 43 E C -1.396 174.887 176.600 -0.527 0.000 0.990 43 E CA -0.830 55.373 56.400 -0.327 0.000 0.856 43 E CB 2.130 31.657 29.700 -0.289 0.000 1.159 43 E HN 0.620 nan 8.360 nan 0.000 0.401 44 Q N 1.731 121.196 119.800 -0.559 0.000 2.340 44 Q HA 0.324 4.664 4.340 0.000 0.000 0.259 44 Q C -1.496 173.935 176.000 -0.949 0.000 0.964 44 Q CA -0.522 54.732 55.803 -0.915 0.000 0.900 44 Q CB 1.145 29.556 28.738 -0.546 0.000 1.228 44 Q HN 0.253 nan 8.270 nan 0.000 0.449 45 V N 5.219 124.559 119.914 -0.957 0.000 2.417 45 V HA 0.335 4.455 4.120 0.000 0.000 0.291 45 V C -0.959 174.822 176.094 -0.522 0.000 1.024 45 V CA -0.717 61.171 62.300 -0.687 0.000 0.861 45 V CB 0.699 32.161 31.823 -0.601 0.000 0.985 45 V HN 0.654 nan 8.190 nan 0.000 0.436 46 Y N 2.506 122.839 120.300 0.056 0.000 2.334 46 Y HA 0.613 5.163 4.550 0.000 0.000 0.328 46 Y C 0.547 176.518 175.900 0.120 0.000 1.130 46 Y CA -0.670 57.478 58.100 0.079 0.000 1.163 46 Y CB 1.191 39.668 38.460 0.030 0.000 1.207 46 Y HN 0.562 nan 8.280 nan 0.000 0.471 47 C N 0.361 119.816 119.300 0.259 0.000 2.595 47 C HA 0.352 4.812 4.460 0.000 0.000 0.338 47 C C 1.529 176.557 174.990 0.062 0.000 1.219 47 C CA -0.709 58.391 59.018 0.137 0.000 1.811 47 C CB 1.499 29.338 27.740 0.166 0.000 2.313 47 C HN 1.117 nan 8.230 nan 0.000 0.499 48 C N 1.488 120.779 119.300 -0.015 0.000 2.462 48 C HA -0.003 4.457 4.460 0.000 0.000 0.278 48 C C 1.003 175.997 174.990 0.008 0.000 1.253 48 C CA 1.076 60.079 59.018 -0.025 0.000 1.713 48 C CB -1.441 26.255 27.740 -0.074 0.000 2.049 48 C HN 1.007 nan 8.230 nan 0.000 0.477 49 N N -0.616 118.094 118.700 0.016 0.000 2.697 49 N HA 0.306 5.046 4.740 0.000 0.000 0.272 49 N C -0.347 175.179 175.510 0.027 0.000 1.381 49 N CA -0.583 52.481 53.050 0.025 0.000 0.797 49 N CB 0.423 38.927 38.487 0.028 0.000 1.523 49 N HN -0.080 nan 8.380 nan 0.000 0.518 50 E N -0.522 119.685 120.200 0.011 0.000 2.208 50 E HA 0.036 4.386 4.350 0.000 0.000 0.193 50 E C 1.346 177.924 176.600 -0.037 0.000 0.988 50 E CA 0.401 56.797 56.400 -0.006 0.000 0.828 50 E CB -0.159 29.521 29.700 -0.033 0.000 0.763 50 E HN 0.537 nan 8.360 nan 0.000 0.478 51 L N 0.962 122.167 121.223 -0.030 0.000 2.027 51 L HA -0.132 4.208 4.340 0.000 0.000 0.206 51 L C 1.316 178.153 176.870 -0.054 0.000 1.074 51 L CA 1.713 56.506 54.840 -0.078 0.000 0.745 51 L CB -0.396 41.677 42.059 0.022 0.000 0.898 51 L HN 0.024 nan 8.230 nan 0.000 0.433 52 N N -1.150 117.580 118.700 0.051 0.000 2.244 52 N HA -0.196 4.544 4.740 0.000 0.000 0.183 52 N C 2.005 177.550 175.510 0.057 0.000 1.016 52 N CA 1.396 54.504 53.050 0.097 0.000 0.866 52 N CB -1.039 37.480 38.487 0.054 0.000 0.980 52 N HN 0.516 nan 8.380 nan 0.000 0.430 53 C N 0.390 119.708 119.300 0.029 0.000 2.432 53 C HA 0.011 4.471 4.460 0.000 0.000 0.277 53 C C 2.751 177.717 174.990 -0.041 0.000 1.249 53 C CA 1.309 60.350 59.018 0.038 0.000 1.725 53 C CB -1.271 26.517 27.740 0.079 0.000 2.028 53 C HN 0.521 nan 8.230 nan 0.000 0.477 54 G N -0.751 107.998 108.800 -0.085 0.000 2.440 54 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 54 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 54 G C 1.325 176.156 174.900 -0.115 0.000 1.154 54 G CA 0.873 45.886 45.100 -0.144 0.000 0.767 54 G HN 0.485 nan 8.290 nan 0.000 0.552 55 F N 1.677 121.621 119.950 -0.009 0.000 2.325 55 F HA 0.065 4.592 4.527 -0.000 0.000 0.299 55 F C 2.969 178.712 175.800 -0.095 0.000 1.090 55 F CA 0.801 58.811 58.000 0.016 0.000 1.392 55 F CB -0.378 38.643 39.000 0.035 0.000 1.053 55 F HN 0.081 nan 8.300 nan 0.000 0.521 56 S N 0.021 115.699 115.700 -0.037 0.000 2.368 56 S HA -0.149 4.321 4.470 0.000 0.000 0.224 56 S C 2.429 176.637 174.600 -0.653 0.000 1.029 56 S CA 1.044 59.033 58.200 -0.352 0.000 0.988 56 S CB -0.647 62.274 63.200 -0.465 0.000 0.838 56 S HN 0.348 nan 8.310 nan 0.000 0.462 57 A N 1.605 124.086 122.820 -0.566 0.000 1.902 57 A HA -0.143 4.177 4.320 0.000 0.000 0.217 57 A C 2.090 179.694 177.584 0.032 0.000 1.181 57 A CA 1.451 53.330 52.037 -0.263 0.000 0.623 57 A CB -0.569 18.409 19.000 -0.037 0.000 0.818 57 A HN 0.441 nan 8.150 nan 0.000 0.443 58 E N -0.151 120.104 120.200 0.091 0.000 2.085 58 E HA -0.177 4.173 4.350 0.000 0.000 0.194 58 E C 2.114 178.871 176.600 0.261 0.000 0.994 58 E CA 1.430 57.965 56.400 0.224 0.000 0.801 58 E CB -0.450 29.485 29.700 0.392 0.000 0.743 58 E HN 0.520 nan 8.360 nan 0.000 0.453 59 G N -0.499 108.422 108.800 0.202 0.000 2.408 59 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 59 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 59 G C 1.501 176.535 174.900 0.223 0.000 1.150 59 G CA 0.681 45.907 45.100 0.211 0.000 0.776 59 G HN 0.348 nan 8.290 nan 0.000 0.542 60 Y N 1.910 122.212 120.300 0.004 0.000 2.181 60 Y HA -0.019 4.531 4.550 -0.000 0.000 0.288 60 Y C 2.919 178.847 175.900 0.048 0.000 1.146 60 Y CA 1.399 59.508 58.100 0.015 0.000 1.164 60 Y CB -0.155 38.379 38.460 0.123 0.000 0.982 60 Y HN 0.244 nan 8.280 nan 0.000 0.515 61 A N 0.296 123.255 122.820 0.232 0.000 1.972 61 A HA -0.189 4.131 4.320 0.000 0.000 0.219 61 A C 2.227 179.863 177.584 0.086 0.000 1.169 61 A CA 1.664 53.791 52.037 0.150 0.000 0.635 61 A CB -0.548 18.545 19.000 0.156 0.000 0.810 61 A HN 0.532 nan 8.150 nan 0.000 0.446 62 R N -0.687 119.903 120.500 0.151 0.000 2.115 62 R HA -0.013 4.328 4.340 0.000 0.000 0.230 62 R C 2.298 178.675 176.300 0.129 0.000 1.111 62 R CA 1.098 57.320 56.100 0.203 0.000 0.976 62 R CB -0.290 30.225 30.300 0.359 0.000 0.870 62 R HN 0.520 nan 8.270 nan 0.000 0.445 63 A N 0.646 123.404 122.820 -0.104 0.000 1.943 63 A HA -0.003 4.317 4.320 0.000 0.000 0.213 63 A C 1.585 178.968 177.584 -0.335 0.000 1.181 63 A CA 0.874 52.643 52.037 -0.446 0.000 0.653 63 A CB 0.287 18.722 19.000 -0.941 0.000 0.833 63 A HN 0.013 nan 8.150 nan 0.000 0.451 64 K N -2.213 117.996 120.400 -0.318 0.000 2.402 64 K HA 0.278 4.598 4.320 0.000 0.000 0.203 64 K C 1.078 177.637 176.600 -0.068 0.000 1.077 64 K CA 0.803 56.947 56.287 -0.239 0.000 1.051 64 K CB 1.173 33.442 32.500 -0.386 0.000 0.907 64 K HN 0.654 nan 8.250 nan 0.000 0.554 65 G N 1.286 110.070 108.800 -0.026 0.000 2.279 65 G HA2 -0.224 3.736 3.960 0.000 0.000 0.223 65 G HA3 -0.224 3.736 3.960 0.000 0.000 0.223 65 G C 0.219 175.156 174.900 0.061 0.000 1.015 65 G CA 0.075 45.188 45.100 0.022 0.000 0.621 65 G HN 0.623 nan 8.290 nan 0.000 0.506 66 A N -1.030 121.853 122.820 0.106 0.000 2.588 66 A HA 1.161 5.481 4.320 0.000 0.000 0.290 66 A C -0.290 177.446 177.584 0.253 0.000 1.136 66 A CA 0.685 52.802 52.037 0.132 0.000 0.681 66 A CB 0.867 19.922 19.000 0.092 0.000 1.282 66 A HN 2.302 nan 8.150 nan 0.000 0.421 67 A N -1.256 121.694 122.820 0.217 0.000 2.566 67 A HA 0.989 5.309 4.320 0.000 0.000 0.290 67 A C -0.785 176.892 177.584 0.155 0.000 1.071 67 A CA 0.072 52.268 52.037 0.265 0.000 0.658 67 A CB 0.485 19.695 19.000 0.349 0.000 1.285 67 A HN 2.655 nan 8.150 nan 0.000 0.427 68 A N -0.508 122.408 122.820 0.159 0.000 2.486 68 A HA 0.975 5.295 4.320 0.000 0.000 0.300 68 A C -0.420 177.283 177.584 0.200 0.000 1.048 68 A CA 0.081 52.195 52.037 0.129 0.000 0.696 68 A CB 1.396 20.437 19.000 0.069 0.000 1.278 68 A HN 2.562 nan 8.150 nan 0.000 0.405 69 A N 1.086 123.994 122.820 0.147 0.000 2.371 69 A HA 0.725 5.045 4.320 0.000 0.000 0.311 69 A C -1.092 176.563 177.584 0.118 0.000 1.068 69 A CA -0.488 51.649 52.037 0.167 0.000 0.744 69 A CB 1.422 20.491 19.000 0.115 0.000 1.239 69 A HN 1.387 nan 8.150 nan 0.000 0.435 70 V N 3.116 123.115 119.914 0.141 0.000 2.409 70 V HA 0.649 4.769 4.120 0.000 0.000 0.291 70 V C 0.115 176.273 176.094 0.107 0.000 1.020 70 V CA -0.394 61.969 62.300 0.105 0.000 0.848 70 V CB 0.975 32.871 31.823 0.121 0.000 0.990 70 V HN 1.181 nan 8.190 nan 0.000 0.430 71 V N 1.511 121.470 119.914 0.075 0.000 3.158 71 V HA 0.789 4.909 4.120 0.000 0.000 0.311 71 V C -0.200 175.942 176.094 0.080 0.000 1.181 71 V CA -0.599 61.740 62.300 0.066 0.000 1.054 71 V CB 2.018 33.852 31.823 0.019 0.000 1.085 71 V HN 0.693 nan 8.190 nan 0.000 0.446 72 T N -0.099 114.506 114.554 0.085 0.000 2.902 72 T HA 0.476 4.826 4.350 0.000 0.000 0.280 72 T C -0.823 173.952 174.700 0.125 0.000 0.992 72 T CA -0.185 62.014 62.100 0.164 0.000 1.015 72 T CB 0.648 69.647 68.868 0.219 0.000 1.044 72 T HN 0.783 nan 8.240 nan 0.000 0.520 73 Y N 2.986 123.311 120.300 0.041 0.000 2.717 73 Y HA 0.245 4.795 4.550 -0.000 0.000 0.330 73 Y C 1.595 177.448 175.900 -0.079 0.000 1.217 73 Y CA 1.713 59.739 58.100 -0.124 0.000 1.506 73 Y CB -0.121 38.045 38.460 -0.491 0.000 1.268 73 Y HN 0.974 nan 8.280 nan 0.000 0.561 74 S N 1.757 117.045 115.700 -0.687 0.000 3.686 74 S HA -0.327 4.143 4.470 0.000 0.000 0.247 74 S C 1.431 175.875 174.600 -0.261 0.000 1.674 74 S CA 2.543 60.438 58.200 -0.508 0.000 3.746 74 S CB -1.860 61.154 63.200 -0.309 0.000 0.692 74 S HN 1.327 nan 8.310 nan 0.000 0.466 75 V N 0.874 120.666 119.914 -0.203 0.000 2.490 75 V HA 0.234 4.354 4.120 0.000 0.000 0.250 75 V C 2.354 178.345 176.094 -0.172 0.000 1.061 75 V CA 2.553 64.739 62.300 -0.191 0.000 1.064 75 V CB -1.530 30.118 31.823 -0.292 0.000 0.670 75 V HN 0.828 nan 8.190 nan 0.000 0.461 76 G N -0.234 108.465 108.800 -0.169 0.000 2.417 76 G HA2 0.078 4.038 3.960 0.000 0.000 0.212 76 G HA3 0.078 4.038 3.960 0.000 0.000 0.212 76 G C 1.714 176.496 174.900 -0.196 0.000 1.187 76 G CA 0.902 45.927 45.100 -0.125 0.000 0.804 76 G HN 0.779 nan 8.290 nan 0.000 0.534 77 A N 0.564 123.208 122.820 -0.295 0.000 1.877 77 A HA 0.069 4.389 4.320 0.000 0.000 0.216 77 A C 2.371 179.416 177.584 -0.897 0.000 1.186 77 A CA 1.445 53.169 52.037 -0.521 0.000 0.620 77 A CB -0.540 18.145 19.000 -0.525 0.000 0.822 77 A HN 0.271 nan 8.150 nan 0.000 0.443 78 L N 0.878 121.672 121.223 -0.715 0.000 2.013 78 L HA -0.217 4.123 4.340 0.000 0.000 0.212 78 L C 3.032 179.758 176.870 -0.240 0.000 1.073 78 L CA 2.534 57.049 54.840 -0.542 0.000 0.753 78 L CB -0.734 41.201 42.059 -0.207 0.000 0.890 78 L HN 0.596 nan 8.230 nan 0.000 0.432 79 S N -1.278 114.327 115.700 -0.160 0.000 2.387 79 S HA -0.076 4.394 4.470 0.000 0.000 0.226 79 S C 2.136 176.703 174.600 -0.056 0.000 1.026 79 S CA 0.633 58.806 58.200 -0.046 0.000 0.972 79 S CB -0.756 62.430 63.200 -0.024 0.000 0.814 79 S HN 0.330 nan 8.310 nan 0.000 0.477 80 A N 1.453 124.198 122.820 -0.126 0.000 1.972 80 A HA 0.065 4.385 4.320 0.000 0.000 0.219 80 A C 1.830 179.433 177.584 0.033 0.000 1.169 80 A CA 1.217 53.197 52.037 -0.096 0.000 0.635 80 A CB -1.062 17.887 19.000 -0.085 0.000 0.810 80 A HN 0.464 nan 8.150 nan 0.000 0.446 81 F N 0.644 120.569 119.950 -0.042 0.000 2.192 81 F HA -0.196 4.331 4.527 0.000 0.000 0.301 81 F C 2.168 177.958 175.800 -0.017 0.000 1.079 81 F CA 1.223 59.202 58.000 -0.034 0.000 1.303 81 F CB -0.908 38.082 39.000 -0.017 0.000 1.024 81 F HN 0.334 nan 8.300 nan 0.000 0.494 82 D N -0.035 120.495 120.400 0.216 0.000 2.117 82 D HA -0.127 4.513 4.640 0.000 0.000 0.197 82 D C 2.262 178.612 176.300 0.084 0.000 0.987 82 D CA 1.352 55.527 54.000 0.292 0.000 0.829 82 D CB -0.151 40.831 40.800 0.304 0.000 0.961 82 D HN 0.191 nan 8.370 nan 0.000 0.460 83 A N 0.614 123.224 122.820 -0.352 0.000 1.930 83 A HA -0.097 4.223 4.320 0.000 0.000 0.217 83 A C 2.255 179.636 177.584 -0.338 0.000 1.175 83 A CA 0.734 52.297 52.037 -0.789 0.000 0.627 83 A CB -0.407 17.948 19.000 -1.075 0.000 0.815 83 A HN 0.249 nan 8.150 nan 0.000 0.443 84 I N 0.095 120.564 120.570 -0.169 0.000 2.252 84 I HA -0.151 4.019 4.170 0.000 0.000 0.245 84 I C 2.689 178.667 176.117 -0.231 0.000 1.102 84 I CA 1.393 62.631 61.300 -0.104 0.000 1.385 84 I CB -1.967 36.056 38.000 0.038 0.000 1.064 84 I HN 0.339 nan 8.210 nan 0.000 0.414 85 G N 0.814 109.413 108.800 -0.334 0.000 2.469 85 G HA2 -0.225 3.735 3.960 0.000 0.000 0.220 85 G HA3 -0.225 3.735 3.960 0.000 0.000 0.220 85 G C 1.748 175.818 174.900 -1.382 0.000 1.136 85 G CA 0.960 45.645 45.100 -0.692 0.000 0.759 85 G HN 0.482 nan 8.290 nan 0.000 0.562 86 G N 0.948 108.820 108.800 -1.548 0.000 2.418 86 G HA2 0.071 4.031 3.960 0.000 0.000 0.217 86 G HA3 0.071 4.031 3.960 0.000 0.000 0.217 86 G C 2.030 176.639 174.900 -0.484 0.000 1.158 86 G CA 1.446 45.651 45.100 -1.491 0.000 0.771 86 G HN 0.647 nan 8.290 nan 0.000 0.545 87 A N -0.210 122.456 122.820 -0.257 0.000 1.930 87 A HA 0.004 4.324 4.320 0.000 0.000 0.217 87 A C 2.180 179.704 177.584 -0.101 0.000 1.175 87 A CA 1.567 53.551 52.037 -0.088 0.000 0.627 87 A CB -0.613 18.370 19.000 -0.028 0.000 0.815 87 A HN 0.427 nan 8.150 nan 0.000 0.443 88 Y N 0.582 120.730 120.300 -0.254 0.000 2.145 88 Y HA -0.121 4.429 4.550 0.000 0.000 0.286 88 Y C 2.673 178.481 175.900 -0.154 0.000 1.145 88 Y CA 1.344 59.329 58.100 -0.191 0.000 1.148 88 Y CB -0.442 37.890 38.460 -0.213 0.000 0.981 88 Y HN 0.307 nan 8.280 nan 0.000 0.507 89 A N -0.296 122.543 122.820 0.031 0.000 2.019 89 A HA -0.124 4.196 4.320 0.000 0.000 0.219 89 A C 1.723 179.317 177.584 0.017 0.000 1.164 89 A CA 1.795 53.889 52.037 0.095 0.000 0.644 89 A CB -0.343 18.782 19.000 0.209 0.000 0.805 89 A HN 0.508 nan 8.150 nan 0.000 0.449 90 E N 0.185 120.360 120.200 -0.043 0.000 2.501 90 E HA 0.051 4.402 4.350 0.000 0.000 0.200 90 E C -0.596 175.977 176.600 -0.046 0.000 1.016 90 E CA -0.265 56.115 56.400 -0.033 0.000 0.921 90 E CB -0.182 29.501 29.700 -0.028 0.000 1.034 90 E HN 0.601 nan 8.360 nan 0.000 0.468 91 N N 0.882 119.516 118.700 -0.110 0.000 2.714 91 N HA -0.208 4.532 4.740 0.000 0.000 0.253 91 N C -0.688 174.766 175.510 -0.093 0.000 1.024 91 N CA 0.651 53.614 53.050 -0.146 0.000 0.726 91 N CB -1.534 36.881 38.487 -0.119 0.000 0.908 91 N HN 0.220 nan 8.380 nan 0.000 0.542 92 L N 0.246 121.425 121.223 -0.072 0.000 2.341 92 L HA 0.426 4.766 4.340 0.000 0.000 0.278 92 L C -2.072 174.781 176.870 -0.029 0.000 1.005 92 L CA -1.845 52.984 54.840 -0.020 0.000 0.818 92 L CB 2.039 44.123 42.059 0.043 0.000 1.259 92 L HN -0.227 nan 8.230 nan 0.000 0.418 93 P HA 0.073 nan 4.420 nan 0.000 0.249 93 P C -0.572 176.740 177.300 0.020 0.000 1.737 93 P CA -0.023 63.064 63.100 -0.022 0.000 1.128 93 P CB 0.059 31.741 31.700 -0.030 0.000 1.942 94 V N 4.594 124.525 119.914 0.027 0.000 2.432 94 V HA 0.239 4.359 4.120 0.000 0.000 0.275 94 V C 0.736 176.856 176.094 0.043 0.000 1.043 94 V CA -0.430 61.903 62.300 0.054 0.000 0.925 94 V CB 1.111 32.968 31.823 0.058 0.000 0.985 94 V HN 0.287 nan 8.190 nan 0.000 0.466 95 I N 6.001 126.599 120.570 0.046 0.000 2.297 95 I HA 0.290 4.460 4.170 0.000 0.000 0.291 95 I C -0.321 175.821 176.117 0.042 0.000 1.033 95 I CA -0.358 60.959 61.300 0.030 0.000 1.253 95 I CB 1.251 39.253 38.000 0.004 0.000 1.396 95 I HN 0.429 nan 8.210 nan 0.000 0.476 96 L N 8.930 130.189 121.223 0.061 0.000 2.276 96 L HA 0.537 4.877 4.340 0.000 0.000 0.286 96 L C -0.694 176.161 176.870 -0.026 0.000 1.061 96 L CA 0.137 55.020 54.840 0.073 0.000 0.807 96 L CB 0.699 42.869 42.059 0.185 0.000 1.177 96 L HN 0.394 nan 8.230 nan 0.000 0.429 97 I N 4.322 124.867 120.570 -0.041 0.000 2.389 97 I HA 0.413 4.583 4.170 0.000 0.000 0.288 97 I C -0.117 175.955 176.117 -0.075 0.000 0.999 97 I CA -0.068 61.161 61.300 -0.118 0.000 1.129 97 I CB 1.855 39.805 38.000 -0.083 0.000 1.288 97 I HN 0.588 nan 8.210 nan 0.000 0.444 98 S N 3.978 119.597 115.700 -0.136 0.000 2.472 98 S HA 0.771 5.241 4.470 0.000 0.000 0.303 98 S C 0.204 174.814 174.600 0.016 0.000 1.099 98 S CA -0.598 57.591 58.200 -0.017 0.000 1.077 98 S CB 1.139 64.368 63.200 0.048 0.000 1.031 98 S HN 0.790 nan 8.310 nan 0.000 0.487 99 G N 2.081 110.934 108.800 0.089 0.000 2.636 99 G HA2 0.575 4.535 3.960 0.000 0.000 0.246 99 G HA3 0.575 4.535 3.960 0.000 0.000 0.246 99 G C -0.140 174.806 174.900 0.078 0.000 1.216 99 G CA 0.126 45.297 45.100 0.118 0.000 0.854 99 G HN 1.168 nan 8.290 nan 0.000 0.572 100 A N 1.373 124.166 122.820 -0.046 0.000 2.583 100 A HA 0.887 5.207 4.320 0.000 0.000 0.289 100 A C -2.934 174.371 177.584 -0.464 0.000 1.151 100 A CA -1.337 50.469 52.037 -0.385 0.000 0.695 100 A CB 1.216 20.117 19.000 -0.165 0.000 1.290 100 A HN 0.506 nan 8.150 nan 0.000 0.419 101 P HA 0.031 nan 4.420 nan 0.000 0.269 101 P C -0.305 176.931 177.300 -0.106 0.000 1.215 101 P CA -0.289 62.517 63.100 -0.490 0.000 0.780 101 P CB 0.330 31.486 31.700 -0.906 0.000 0.898 102 N N 2.946 121.656 118.700 0.018 0.000 2.225 102 N HA -0.132 4.608 4.740 0.000 0.000 0.257 102 N C 1.008 176.564 175.510 0.077 0.000 1.252 102 N CA 0.297 53.381 53.050 0.057 0.000 0.833 102 N CB 0.295 38.816 38.487 0.058 0.000 1.068 102 N HN 0.375 nan 8.380 nan 0.000 0.468 103 N N 3.520 122.301 118.700 0.135 0.000 2.550 103 N HA -0.115 4.625 4.740 0.000 0.000 0.186 103 N C 0.401 176.016 175.510 0.174 0.000 1.110 103 N CA 0.790 53.970 53.050 0.218 0.000 0.912 103 N CB -0.274 38.303 38.487 0.151 0.000 0.968 103 N HN 0.465 nan 8.380 nan 0.000 0.448 104 N N 0.737 119.502 118.700 0.108 0.000 2.459 104 N HA -0.070 4.670 4.740 0.000 0.000 0.181 104 N C 0.109 175.664 175.510 0.075 0.000 1.046 104 N CA 0.695 53.797 53.050 0.087 0.000 0.904 104 N CB 0.006 38.546 38.487 0.088 0.000 0.964 104 N HN 0.373 nan 8.380 nan 0.000 0.444 105 D N -0.128 120.303 120.400 0.052 0.000 2.349 105 D HA -0.011 4.629 4.640 0.000 0.000 0.215 105 D C 0.384 176.625 176.300 -0.098 0.000 1.016 105 D CA 0.350 54.355 54.000 0.008 0.000 0.870 105 D CB 0.123 40.917 40.800 -0.011 0.000 0.917 105 D HN 0.339 nan 8.370 nan 0.000 0.524 106 H N 0.572 119.623 119.070 -0.031 0.000 2.629 106 H HA 0.261 4.817 4.556 0.000 0.000 0.357 106 H C 1.035 176.316 175.328 -0.078 0.000 1.121 106 H CA 0.180 56.209 56.048 -0.032 0.000 1.406 106 H CB 1.034 30.702 29.762 -0.157 0.000 1.456 106 H HN -0.036 nan 8.280 nan 0.000 0.579 107 A N 1.913 124.759 122.820 0.043 0.000 2.596 107 A HA -0.210 4.111 4.320 0.000 0.000 0.300 107 A C 1.238 178.772 177.584 -0.084 0.000 1.495 107 A CA 1.179 53.202 52.037 -0.023 0.000 0.769 107 A CB -1.766 17.224 19.000 -0.018 0.000 1.047 107 A HN 0.872 nan 8.150 nan 0.000 0.436 108 A N -1.137 121.581 122.820 -0.171 0.000 2.498 108 A HA 0.587 4.907 4.320 0.000 0.000 0.238 108 A C 2.061 179.445 177.584 -0.333 0.000 1.225 108 A CA 1.227 53.057 52.037 -0.345 0.000 0.978 108 A CB -0.253 18.335 19.000 -0.687 0.000 1.142 108 A HN 2.611 nan 8.150 nan 0.000 0.552 109 G N 0.334 109.037 108.800 -0.161 0.000 2.246 109 G HA2 -0.253 3.707 3.960 0.000 0.000 0.273 109 G HA3 -0.253 3.707 3.960 0.000 0.000 0.273 109 G C -0.219 174.753 174.900 0.121 0.000 1.055 109 G CA 0.537 45.623 45.100 -0.022 0.000 0.851 109 G HN 0.835 nan 8.290 nan 0.000 0.500 110 H N -1.265 117.860 119.070 0.091 0.000 2.467 110 H HA 0.484 5.040 4.556 0.000 0.000 0.326 110 H C 0.154 175.594 175.328 0.186 0.000 1.094 110 H CA -1.213 54.905 56.048 0.117 0.000 1.253 110 H CB 1.964 31.791 29.762 0.107 0.000 1.439 110 H HN 0.115 nan 8.280 nan 0.000 0.479 111 V N 5.562 125.642 119.914 0.277 0.000 2.498 111 V HA 0.158 4.278 4.120 0.000 0.000 0.279 111 V C 0.116 176.366 176.094 0.260 0.000 1.048 111 V CA -0.332 62.121 62.300 0.254 0.000 0.967 111 V CB 0.804 32.722 31.823 0.158 0.000 0.988 111 V HN 0.508 nan 8.190 nan 0.000 0.473 112 L N 4.613 126.030 121.223 0.323 0.000 2.354 112 L HA 0.552 4.892 4.340 0.000 0.000 0.269 112 L C 0.286 177.285 176.870 0.215 0.000 1.005 112 L CA -1.004 53.964 54.840 0.212 0.000 0.819 112 L CB 1.783 43.854 42.059 0.021 0.000 1.311 112 L HN 0.794 nan 8.230 nan 0.000 0.423 113 H N 1.753 120.888 119.070 0.109 0.000 3.016 113 H HA -0.074 4.482 4.556 0.000 0.000 0.345 113 H C -0.014 175.446 175.328 0.221 0.000 1.066 113 H CA 0.539 56.617 56.048 0.050 0.000 1.390 113 H CB 0.329 29.980 29.762 -0.184 0.000 1.344 113 H HN 0.762 nan 8.280 nan 0.000 0.605 114 H N -1.472 117.730 119.070 0.219 0.000 3.641 114 H HA -0.180 4.376 4.556 0.000 0.000 0.193 114 H C 0.477 175.950 175.328 0.242 0.000 1.013 114 H CA 0.984 57.156 56.048 0.206 0.000 1.212 114 H CB -1.748 28.156 29.762 0.237 0.000 1.089 114 H HN 0.932 nan 8.280 nan 0.000 0.339 115 A N 0.104 123.164 122.820 0.399 0.000 2.352 115 A HA 0.673 4.993 4.320 0.000 0.000 0.299 115 A C 1.568 179.319 177.584 0.279 0.000 1.160 115 A CA -0.108 52.215 52.037 0.477 0.000 0.933 115 A CB 0.458 19.888 19.000 0.715 0.000 1.387 115 A HN 0.109 nan 8.150 nan 0.000 0.487 116 L N -0.317 121.009 121.223 0.172 0.000 2.376 116 L HA 0.151 4.491 4.340 0.000 0.000 0.219 116 L C 1.762 178.652 176.870 0.034 0.000 1.133 116 L CA 1.226 56.060 54.840 -0.010 0.000 0.816 116 L CB -0.308 41.611 42.059 -0.234 0.000 0.933 116 L HN 1.184 nan 8.230 nan 0.000 0.449 117 G N -0.362 108.495 108.800 0.095 0.000 2.179 117 G HA2 -0.225 3.735 3.960 0.000 0.000 0.220 117 G HA3 -0.225 3.735 3.960 0.000 0.000 0.220 117 G C 0.303 175.229 174.900 0.043 0.000 0.990 117 G CA -0.110 45.039 45.100 0.081 0.000 0.646 117 G HN 0.322 nan 8.290 nan 0.000 0.517 118 K N -0.045 120.355 120.400 -0.000 0.000 2.362 118 K HA 0.619 4.939 4.320 0.000 0.000 0.245 118 K C 1.471 178.012 176.600 -0.097 0.000 1.040 118 K CA 0.120 56.381 56.287 -0.044 0.000 0.961 118 K CB 0.436 32.891 32.500 -0.074 0.000 1.252 118 K HN 0.215 nan 8.250 nan 0.000 0.503 119 T N -2.771 111.697 114.554 -0.145 0.000 3.186 119 T HA 0.127 4.477 4.350 0.000 0.000 0.257 119 T C -0.437 173.958 174.700 -0.507 0.000 1.029 119 T CA -0.365 61.611 62.100 -0.207 0.000 0.916 119 T CB -0.282 68.554 68.868 -0.053 0.000 1.041 119 T HN 0.403 nan 8.240 nan 0.000 0.562 120 D N 0.253 120.304 120.400 -0.582 0.000 2.256 120 D HA 0.425 5.065 4.640 0.000 0.000 0.246 120 D C -0.856 175.100 176.300 -0.573 0.000 1.042 120 D CA -0.862 52.867 54.000 -0.451 0.000 0.841 120 D CB 1.080 41.818 40.800 -0.105 0.000 1.223 120 D HN 0.194 nan 8.370 nan 0.000 0.470 121 Y N 1.130 121.553 120.300 0.205 0.000 2.716 121 Y HA 0.213 4.763 4.550 -0.000 0.000 0.260 121 Y C 0.949 176.963 175.900 0.189 0.000 1.141 121 Y CA -0.331 57.879 58.100 0.182 0.000 1.168 121 Y CB 0.024 38.435 38.460 -0.082 0.000 1.189 121 Y HN 0.601 nan 8.280 nan 0.000 0.549 122 H N -1.086 118.115 119.070 0.218 0.000 2.563 122 H HA -0.039 4.517 4.556 -0.000 0.000 0.264 122 H C 1.848 177.253 175.328 0.128 0.000 0.957 122 H CA 0.871 57.034 56.048 0.191 0.000 1.173 122 H CB 0.196 30.057 29.762 0.164 0.000 1.420 122 H HN 0.449 nan 8.280 nan 0.000 0.551 123 Y N -0.575 119.866 120.300 0.235 0.000 2.224 123 Y HA -0.181 4.369 4.550 0.000 0.000 0.289 123 Y C 2.376 178.332 175.900 0.094 0.000 1.146 123 Y CA 1.296 59.483 58.100 0.146 0.000 1.182 123 Y CB -0.728 37.797 38.460 0.108 0.000 0.983 123 Y HN 0.237 nan 8.280 nan 0.000 0.524 124 Q N 0.545 120.038 119.800 -0.512 0.000 2.050 124 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 124 Q C 2.246 178.163 176.000 -0.137 0.000 0.980 124 Q CA 1.891 57.551 55.803 -0.238 0.000 0.840 124 Q CB -0.270 28.200 28.738 -0.446 0.000 0.898 124 Q HN 0.578 nan 8.270 nan 0.000 0.424 125 L N 1.321 122.441 121.223 -0.172 0.000 1.990 125 L HA -0.231 4.109 4.340 0.000 0.000 0.213 125 L C 1.861 178.570 176.870 -0.267 0.000 1.072 125 L CA 2.183 56.860 54.840 -0.271 0.000 0.755 125 L CB -0.560 41.354 42.059 -0.241 0.000 0.889 125 L HN 0.281 nan 8.230 nan 0.000 0.432 126 E N -0.925 119.198 120.200 -0.127 0.000 2.097 126 E HA -0.291 4.059 4.350 0.000 0.000 0.196 126 E C 2.149 178.687 176.600 -0.103 0.000 1.000 126 E CA 1.991 58.373 56.400 -0.030 0.000 0.804 126 E CB -0.309 29.462 29.700 0.118 0.000 0.740 126 E HN 0.570 nan 8.360 nan 0.000 0.454 127 M N 0.353 119.894 119.600 -0.098 0.000 2.086 127 M HA -0.138 4.342 4.480 0.000 0.000 0.261 127 M C 2.541 178.524 176.300 -0.528 0.000 1.067 127 M CA 1.452 56.649 55.300 -0.172 0.000 1.116 127 M CB -0.266 32.369 32.600 0.058 0.000 1.348 127 M HN 0.131 nan 8.290 nan 0.000 0.407 128 A N 0.524 122.867 122.820 -0.795 0.000 1.978 128 A HA -0.195 4.125 4.320 0.000 0.000 0.220 128 A C 2.070 179.317 177.584 -0.562 0.000 1.170 128 A CA 1.744 53.153 52.037 -1.047 0.000 0.636 128 A CB -0.625 17.560 19.000 -1.359 0.000 0.810 128 A HN 0.457 nan 8.150 nan 0.000 0.448 129 K N -0.137 120.042 120.400 -0.368 0.000 2.280 129 K HA -0.086 4.234 4.320 0.000 0.000 0.202 129 K C 1.292 177.767 176.600 -0.209 0.000 1.047 129 K CA 1.057 57.219 56.287 -0.209 0.000 0.942 129 K CB -0.177 32.253 32.500 -0.118 0.000 0.739 129 K HN 0.480 nan 8.250 nan 0.000 0.457 130 N N 1.151 119.698 118.700 -0.255 0.000 2.459 130 N HA -0.083 4.657 4.740 0.000 0.000 0.181 130 N C 1.435 176.755 175.510 -0.317 0.000 1.046 130 N CA 1.081 53.992 53.050 -0.232 0.000 0.904 130 N CB 0.248 38.621 38.487 -0.189 0.000 0.964 130 N HN 0.401 nan 8.380 nan 0.000 0.444 131 I N -2.727 117.620 120.570 -0.371 0.000 3.994 131 I HA 0.260 4.430 4.170 0.000 0.000 0.323 131 I C -0.312 175.626 176.117 -0.298 0.000 1.501 131 I CA -0.448 60.592 61.300 -0.433 0.000 1.112 131 I CB 0.536 38.325 38.000 -0.352 0.000 1.254 131 I HN -0.234 nan 8.210 nan 0.000 0.495 132 T N -2.777 111.674 114.554 -0.172 0.000 2.887 132 T HA 0.755 5.105 4.350 0.000 0.000 0.292 132 T C 0.592 175.389 174.700 0.161 0.000 1.087 132 T CA -0.080 62.059 62.100 0.066 0.000 1.009 132 T CB 2.406 71.282 68.868 0.014 0.000 1.203 132 T HN 0.014 nan 8.240 nan 0.000 0.518 133 A N 0.045 122.973 122.820 0.180 0.000 2.195 133 A HA 0.775 5.095 4.320 0.000 0.000 0.210 133 A C 1.028 178.643 177.584 0.052 0.000 1.165 133 A CA 0.495 52.606 52.037 0.123 0.000 0.806 133 A CB -0.507 18.514 19.000 0.035 0.000 0.847 133 A HN 1.622 nan 8.150 nan 0.000 0.482 134 A N -1.379 121.468 122.820 0.045 0.000 2.577 134 A HA 0.711 5.031 4.320 0.000 0.000 0.297 134 A C -0.841 176.800 177.584 0.095 0.000 1.060 134 A CA 0.179 52.253 52.037 0.062 0.000 0.697 134 A CB 0.562 19.546 19.000 -0.027 0.000 1.281 134 A HN 1.609 nan 8.150 nan 0.000 0.402 135 A N 1.710 124.607 122.820 0.129 0.000 2.437 135 A HA 0.782 5.102 4.320 0.000 0.000 0.293 135 A C -1.271 176.420 177.584 0.178 0.000 1.038 135 A CA -0.383 51.776 52.037 0.204 0.000 0.708 135 A CB 1.295 20.365 19.000 0.117 0.000 1.251 135 A HN 0.642 nan 8.150 nan 0.000 0.409 136 E N 0.766 121.067 120.200 0.169 0.000 2.292 136 E HA 0.634 4.984 4.350 0.000 0.000 0.272 136 E C -0.764 175.809 176.600 -0.045 0.000 0.881 136 E CA -0.555 55.871 56.400 0.043 0.000 0.754 136 E CB 2.387 32.096 29.700 0.015 0.000 1.201 136 E HN 0.895 nan 8.360 nan 0.000 0.425 137 A N 3.531 126.262 122.820 -0.150 0.000 2.305 137 A HA 0.690 5.010 4.320 0.000 0.000 0.322 137 A C -0.228 176.991 177.584 -0.609 0.000 1.187 137 A CA -0.612 51.205 52.037 -0.368 0.000 0.825 137 A CB 0.340 19.081 19.000 -0.431 0.000 1.164 137 A HN 0.556 nan 8.150 nan 0.000 0.498 138 I N 2.835 123.082 120.570 -0.538 0.000 2.354 138 I HA 0.252 4.422 4.170 0.000 0.000 0.286 138 I C -0.508 175.375 176.117 -0.391 0.000 1.007 138 I CA -0.157 60.891 61.300 -0.420 0.000 1.167 138 I CB 0.954 38.821 38.000 -0.222 0.000 1.320 138 I HN 0.803 nan 8.210 nan 0.000 0.458 139 Y N 3.022 123.274 120.300 -0.079 0.000 2.507 139 Y HA 0.111 4.661 4.550 0.000 0.000 0.263 139 Y C 1.409 177.272 175.900 -0.061 0.000 1.093 139 Y CA -0.330 57.714 58.100 -0.094 0.000 1.285 139 Y CB 0.207 38.557 38.460 -0.183 0.000 1.115 139 Y HN 0.505 nan 8.280 nan 0.000 0.533 140 T N -3.657 110.932 114.554 0.058 0.000 2.906 140 T HA 0.367 4.717 4.350 0.000 0.000 0.295 140 T C -2.423 172.266 174.700 -0.018 0.000 1.061 140 T CA -2.424 59.691 62.100 0.026 0.000 1.000 140 T CB 2.652 71.535 68.868 0.025 0.000 1.103 140 T HN -0.344 nan 8.240 nan 0.000 0.486 141 P HA -0.004 nan 4.420 nan 0.000 0.217 141 P C 1.067 178.326 177.300 -0.068 0.000 1.150 141 P CA 0.949 64.025 63.100 -0.039 0.000 0.832 141 P CB 0.087 31.777 31.700 -0.017 0.000 0.787 142 E N -0.045 120.124 120.200 -0.051 0.000 2.204 142 E HA -0.175 4.175 4.350 0.000 0.000 0.195 142 E C 1.793 178.339 176.600 -0.089 0.000 0.990 142 E CA 1.057 57.420 56.400 -0.062 0.000 0.821 142 E CB -0.666 29.012 29.700 -0.037 0.000 0.750 142 E HN 0.454 nan 8.360 nan 0.000 0.477 143 E N -0.052 120.096 120.200 -0.087 0.000 2.299 143 E HA 0.007 4.357 4.350 0.000 0.000 0.193 143 E C 1.947 178.457 176.600 -0.150 0.000 0.998 143 E CA 0.470 56.808 56.400 -0.103 0.000 0.851 143 E CB 0.014 29.662 29.700 -0.087 0.000 0.795 143 E HN 0.265 nan 8.360 nan 0.000 0.492 144 A N 2.299 125.011 122.820 -0.179 0.000 1.865 144 A HA -0.142 4.178 4.320 0.000 0.000 0.217 144 A C -0.296 177.074 177.584 -0.356 0.000 1.191 144 A CA 1.340 53.237 52.037 -0.233 0.000 0.623 144 A CB -1.464 17.405 19.000 -0.220 0.000 0.826 144 A HN 0.129 nan 8.150 nan 0.000 0.444 145 P HA -0.134 nan 4.420 nan 0.000 0.215 145 P C 1.796 178.934 177.300 -0.270 0.000 1.157 145 P CA 2.073 64.705 63.100 -0.779 0.000 0.868 145 P CB -0.159 31.140 31.700 -0.668 0.000 0.788 146 A N -0.244 122.478 122.820 -0.164 0.000 1.902 146 A HA -0.225 4.095 4.320 0.000 0.000 0.217 146 A C 2.115 179.684 177.584 -0.025 0.000 1.181 146 A CA 1.920 53.918 52.037 -0.065 0.000 0.623 146 A CB -1.105 17.854 19.000 -0.068 0.000 0.818 146 A HN 0.129 nan 8.150 nan 0.000 0.443 147 K N -0.520 119.843 120.400 -0.062 0.000 2.097 147 K HA 0.042 4.362 4.320 0.000 0.000 0.205 147 K C 1.777 178.383 176.600 0.011 0.000 1.050 147 K CA 1.284 57.560 56.287 -0.019 0.000 0.938 147 K CB -0.299 32.157 32.500 -0.075 0.000 0.718 147 K HN 0.522 nan 8.250 nan 0.000 0.442 148 I N 1.467 122.020 120.570 -0.027 0.000 2.179 148 I HA -0.299 3.871 4.170 0.000 0.000 0.242 148 I C 1.611 177.761 176.117 0.055 0.000 1.088 148 I CA 1.271 62.584 61.300 0.021 0.000 1.357 148 I CB -0.276 37.772 38.000 0.080 0.000 1.051 148 I HN 0.151 nan 8.210 nan 0.000 0.409 149 D N -0.368 120.087 120.400 0.091 0.000 2.117 149 D HA -0.246 4.394 4.640 0.000 0.000 0.197 149 D C 1.982 178.302 176.300 0.033 0.000 0.987 149 D CA 1.533 55.575 54.000 0.070 0.000 0.829 149 D CB -0.466 40.389 40.800 0.092 0.000 0.961 149 D HN 0.449 nan 8.370 nan 0.000 0.460 150 H N 0.679 119.735 119.070 -0.024 0.000 2.321 150 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 150 H C 1.981 177.290 175.328 -0.033 0.000 1.087 150 H CA 2.443 58.474 56.048 -0.029 0.000 1.319 150 H CB -0.206 29.539 29.762 -0.028 0.000 1.379 150 H HN 0.058 nan 8.280 nan 0.000 0.501 151 V N -1.052 118.763 119.914 -0.165 0.000 2.548 151 V HA -0.102 4.018 4.120 0.000 0.000 0.249 151 V C 2.358 178.347 176.094 -0.174 0.000 1.055 151 V CA 1.785 63.966 62.300 -0.199 0.000 1.065 151 V CB -0.706 31.086 31.823 -0.051 0.000 0.681 151 V HN 0.459 nan 8.190 nan 0.000 0.462 152 I N -0.065 120.427 120.570 -0.131 0.000 2.286 152 I HA -0.141 4.029 4.170 0.000 0.000 0.245 152 I C 2.850 178.851 176.117 -0.193 0.000 1.104 152 I CA 1.702 62.918 61.300 -0.141 0.000 1.397 152 I CB -0.417 37.513 38.000 -0.117 0.000 1.072 152 I HN 0.242 nan 8.210 nan 0.000 0.417 153 K N 0.320 120.605 120.400 -0.191 0.000 2.063 153 K HA -0.157 4.163 4.320 0.000 0.000 0.208 153 K C 2.113 178.595 176.600 -0.197 0.000 1.048 153 K CA 1.924 58.095 56.287 -0.194 0.000 0.928 153 K CB -0.288 32.133 32.500 -0.132 0.000 0.713 153 K HN 0.309 nan 8.250 nan 0.000 0.442 154 T N 1.007 115.411 114.554 -0.250 0.000 2.746 154 T HA -0.143 4.207 4.350 0.000 0.000 0.267 154 T C 1.958 176.558 174.700 -0.167 0.000 1.039 154 T CA 1.359 63.323 62.100 -0.227 0.000 1.142 154 T CB -0.234 68.438 68.868 -0.326 0.000 0.866 154 T HN 0.330 nan 8.240 nan 0.000 0.444 155 A N 1.319 124.044 122.820 -0.159 0.000 1.883 155 A HA -0.019 4.301 4.320 0.000 0.000 0.217 155 A C 2.300 179.809 177.584 -0.125 0.000 1.186 155 A CA 1.303 53.266 52.037 -0.123 0.000 0.624 155 A CB -0.869 18.072 19.000 -0.098 0.000 0.822 155 A HN 0.484 nan 8.150 nan 0.000 0.444 156 L N -1.305 119.825 121.223 -0.155 0.000 2.093 156 L HA -0.130 4.210 4.340 0.000 0.000 0.208 156 L C 2.797 179.602 176.870 -0.108 0.000 1.085 156 L CA 1.638 56.388 54.840 -0.151 0.000 0.755 156 L CB -0.441 41.445 42.059 -0.288 0.000 0.904 156 L HN 0.488 nan 8.230 nan 0.000 0.435 157 R N 0.392 120.823 120.500 -0.115 0.000 2.062 157 R HA -0.103 4.237 4.340 0.000 0.000 0.226 157 R C 1.919 178.157 176.300 -0.104 0.000 1.125 157 R CA 1.214 57.261 56.100 -0.090 0.000 0.966 157 R CB 0.082 30.335 30.300 -0.079 0.000 0.861 157 R HN 0.353 nan 8.270 nan 0.000 0.433 158 E N 0.798 120.928 120.200 -0.115 0.000 2.385 158 E HA -0.022 4.328 4.350 0.000 0.000 0.194 158 E C -0.221 176.287 176.600 -0.153 0.000 1.013 158 E CA 0.058 56.380 56.400 -0.131 0.000 0.866 158 E CB 0.366 29.988 29.700 -0.129 0.000 0.832 158 E HN 0.153 nan 8.360 nan 0.000 0.500 159 K N 1.270 121.589 120.400 -0.136 0.000 3.244 159 K HA -0.124 4.196 4.320 0.000 0.000 0.270 159 K C -0.400 176.086 176.600 -0.190 0.000 1.016 159 K CA 0.763 56.970 56.287 -0.134 0.000 0.754 159 K CB -1.155 31.272 32.500 -0.122 0.000 1.326 159 K HN 0.092 nan 8.250 nan 0.000 0.465 160 K N -0.414 119.867 120.400 -0.197 0.000 2.512 160 K HA 0.506 4.826 4.320 0.000 0.000 0.263 160 K C -2.568 173.960 176.600 -0.120 0.000 0.966 160 K CA -1.934 54.191 56.287 -0.270 0.000 0.851 160 K CB 2.348 34.613 32.500 -0.392 0.000 1.395 160 K HN -0.129 nan 8.250 nan 0.000 0.440 161 P HA 0.244 nan 4.420 nan 0.000 0.276 161 P C -0.369 176.954 177.300 0.038 0.000 1.252 161 P CA -0.451 62.654 63.100 0.009 0.000 0.802 161 P CB 0.862 32.582 31.700 0.034 0.000 1.035 162 V N -1.792 118.147 119.914 0.041 0.000 3.160 162 V HA 0.637 4.757 4.120 0.000 0.000 0.310 162 V C -1.450 174.722 176.094 0.130 0.000 1.181 162 V CA -1.116 61.220 62.300 0.061 0.000 1.047 162 V CB 2.022 33.846 31.823 0.001 0.000 1.068 162 V HN 0.576 nan 8.190 nan 0.000 0.441 163 Y N 1.201 121.498 120.300 -0.005 0.000 2.425 163 Y HA 0.844 5.394 4.550 -0.000 0.000 0.344 163 Y C -1.358 174.545 175.900 0.006 0.000 0.969 163 Y CA -0.945 57.165 58.100 0.017 0.000 1.052 163 Y CB 1.895 40.364 38.460 0.015 0.000 1.215 163 Y HN 0.829 nan 8.280 nan 0.000 0.451 164 L N 5.995 126.861 121.223 -0.596 0.000 2.401 164 L HA 0.519 4.859 4.340 0.000 0.000 0.266 164 L C -1.311 175.071 176.870 -0.812 0.000 0.991 164 L CA -0.855 53.657 54.840 -0.547 0.000 0.818 164 L CB 2.454 44.356 42.059 -0.260 0.000 1.321 164 L HN 0.763 nan 8.230 nan 0.000 0.413 165 E N 3.372 123.240 120.200 -0.553 0.000 2.266 165 E HA 0.713 5.063 4.350 0.000 0.000 0.268 165 E C -1.433 175.054 176.600 -0.188 0.000 0.879 165 E CA -0.791 55.423 56.400 -0.310 0.000 0.762 165 E CB 2.795 32.435 29.700 -0.100 0.000 1.199 165 E HN 0.439 nan 8.360 nan 0.000 0.422 166 I N 1.975 122.481 120.570 -0.107 0.000 2.447 166 I HA 0.413 4.583 4.170 0.000 0.000 0.287 166 I C -0.097 176.014 176.117 -0.010 0.000 1.023 166 I CA -1.139 60.117 61.300 -0.073 0.000 1.083 166 I CB 1.978 39.943 38.000 -0.058 0.000 1.245 166 I HN 0.785 nan 8.210 nan 0.000 0.434 167 A N 4.245 127.080 122.820 0.024 0.000 2.567 167 A HA 0.010 4.330 4.320 0.000 0.000 0.240 167 A C 1.430 179.054 177.584 0.068 0.000 1.053 167 A CA 0.004 52.088 52.037 0.079 0.000 0.755 167 A CB 0.003 19.089 19.000 0.142 0.000 0.978 167 A HN 1.126 nan 8.150 nan 0.000 0.507 168 C N 1.867 121.223 119.300 0.094 0.000 2.419 168 C HA -0.071 4.389 4.460 0.000 0.000 0.283 168 C C 1.635 176.670 174.990 0.076 0.000 1.373 168 C CA 0.800 59.885 59.018 0.112 0.000 1.781 168 C CB -1.346 26.509 27.740 0.192 0.000 1.886 168 C HN 0.894 nan 8.230 nan 0.000 0.520 169 N N 2.249 120.990 118.700 0.069 0.000 2.336 169 N HA 0.038 4.778 4.740 0.000 0.000 0.189 169 N C 1.106 176.641 175.510 0.042 0.000 1.113 169 N CA 0.775 53.855 53.050 0.051 0.000 0.858 169 N CB -0.679 37.838 38.487 0.050 0.000 0.970 169 N HN 0.848 nan 8.380 nan 0.000 0.471 170 I N -4.624 115.971 120.570 0.041 0.000 4.082 170 I HA 0.477 4.647 4.170 0.000 0.000 0.337 170 I C 1.649 177.780 176.117 0.022 0.000 1.352 170 I CA -0.359 60.958 61.300 0.029 0.000 1.097 170 I CB 0.241 38.256 38.000 0.025 0.000 1.048 170 I HN -0.059 nan 8.210 nan 0.000 0.393 171 A N 1.199 124.036 122.820 0.027 0.000 2.024 171 A HA -0.098 4.222 4.320 0.000 0.000 0.220 171 A C 2.269 179.871 177.584 0.029 0.000 1.164 171 A CA 2.083 54.136 52.037 0.026 0.000 0.643 171 A CB -0.556 18.463 19.000 0.032 0.000 0.806 171 A HN 0.490 nan 8.150 nan 0.000 0.451 172 S N -0.845 114.872 115.700 0.027 0.000 2.540 172 S HA 0.317 4.787 4.470 0.000 0.000 0.218 172 S C 0.578 175.193 174.600 0.025 0.000 0.977 172 S CA -0.268 57.947 58.200 0.025 0.000 0.918 172 S CB -0.174 63.038 63.200 0.019 0.000 0.806 172 S HN 0.518 nan 8.310 nan 0.000 0.496 173 M N 2.672 122.286 119.600 0.024 0.000 2.242 173 M HA 0.273 4.753 4.480 0.000 0.000 0.344 173 M C -2.581 173.736 176.300 0.029 0.000 1.140 173 M CA -1.890 53.424 55.300 0.022 0.000 1.160 173 M CB 0.114 32.725 32.600 0.017 0.000 1.491 173 M HN -0.182 nan 8.290 nan 0.000 0.459 174 P HA 0.167 nan 4.420 nan 0.000 0.271 174 P C -1.053 176.269 177.300 0.038 0.000 1.218 174 P CA -0.504 62.623 63.100 0.045 0.000 0.780 174 P CB 0.493 32.216 31.700 0.037 0.000 0.901 175 C N -0.299 119.039 119.300 0.063 0.000 3.336 175 C HA 0.885 5.345 4.460 0.000 0.000 0.339 175 C C 0.220 175.257 174.990 0.077 0.000 1.468 175 C CA -1.075 57.957 59.018 0.024 0.000 1.287 175 C CB 0.951 28.656 27.740 -0.058 0.000 1.682 175 C HN 0.662 nan 8.230 nan 0.000 0.451 176 A N 0.580 123.418 122.820 0.030 0.000 2.455 176 A HA 0.588 4.908 4.320 0.000 0.000 0.244 176 A C 0.532 178.226 177.584 0.183 0.000 1.099 176 A CA 0.541 52.626 52.037 0.080 0.000 0.786 176 A CB -0.538 18.484 19.000 0.036 0.000 1.051 176 A HN 2.408 nan 8.150 nan 0.000 0.508 177 A N 0.680 123.576 122.820 0.127 0.000 2.282 177 A HA 0.731 5.051 4.320 0.000 0.000 0.319 177 A C -2.566 174.930 177.584 -0.147 0.000 1.121 177 A CA -1.694 50.284 52.037 -0.098 0.000 0.836 177 A CB -0.011 18.989 19.000 -0.000 0.000 1.146 177 A HN 0.627 nan 8.150 nan 0.000 0.494 178 P HA 0.341 nan 4.420 nan 0.000 0.276 178 P C 0.532 177.677 177.300 -0.257 0.000 1.230 178 P CA 0.139 62.923 63.100 -0.526 0.000 0.776 178 P CB 0.972 32.117 31.700 -0.924 0.000 0.888 179 G N 3.640 112.364 108.800 -0.127 0.000 2.486 179 G HA2 0.323 4.283 3.960 0.000 0.000 0.272 179 G HA3 0.323 4.283 3.960 0.000 0.000 0.272 179 G C -2.313 172.541 174.900 -0.075 0.000 1.426 179 G CA -1.042 44.015 45.100 -0.072 0.000 1.058 179 G HN 0.339 nan 8.290 nan 0.000 0.531 180 P HA 0.236 nan 4.420 nan 0.000 0.268 180 P C 0.614 177.913 177.300 -0.000 0.000 1.205 180 P CA 0.408 63.498 63.100 -0.016 0.000 0.771 180 P CB 1.049 32.749 31.700 0.000 0.000 0.858 181 A N 2.865 125.697 122.820 0.020 0.000 2.024 181 A HA -0.202 4.118 4.320 0.000 0.000 0.220 181 A C 2.099 179.792 177.584 0.183 0.000 1.164 181 A CA 2.169 54.258 52.037 0.087 0.000 0.643 181 A CB -1.584 17.482 19.000 0.111 0.000 0.806 181 A HN 0.621 nan 8.150 nan 0.000 0.451 182 S N 0.142 115.916 115.700 0.124 0.000 2.419 182 S HA 0.016 4.486 4.470 0.000 0.000 0.233 182 S C 1.979 176.671 174.600 0.153 0.000 1.016 182 S CA 1.161 59.450 58.200 0.149 0.000 0.974 182 S CB -0.656 62.580 63.200 0.059 0.000 0.786 182 S HN 0.927 nan 8.310 nan 0.000 0.492 183 A N 1.867 124.738 122.820 0.085 0.000 2.019 183 A HA 0.140 4.460 4.320 0.000 0.000 0.219 183 A C 2.194 179.793 177.584 0.025 0.000 1.164 183 A CA 1.228 53.294 52.037 0.048 0.000 0.644 183 A CB -0.752 18.260 19.000 0.020 0.000 0.805 183 A HN 0.580 nan 8.150 nan 0.000 0.449 184 L N -2.534 118.691 121.223 0.003 0.000 2.313 184 L HA 0.000 4.340 4.340 0.000 0.000 0.214 184 L C 1.688 178.362 176.870 -0.325 0.000 1.119 184 L CA 0.702 55.428 54.840 -0.190 0.000 0.809 184 L CB -0.271 41.597 42.059 -0.318 0.000 0.933 184 L HN 0.399 nan 8.230 nan 0.000 0.449 185 F N -1.149 118.789 119.950 -0.019 0.000 2.749 185 F HA 0.119 4.646 4.527 -0.000 0.000 0.300 185 F C 1.064 176.859 175.800 -0.009 0.000 1.103 185 F CA -0.702 57.288 58.000 -0.017 0.000 1.342 185 F CB -0.250 38.740 39.000 -0.018 0.000 1.098 185 F HN -0.024 nan 8.300 nan 0.000 0.586 186 N N 1.875 120.655 118.700 0.132 0.000 2.411 186 N HA -0.015 4.725 4.740 0.000 0.000 0.265 186 N C -0.887 174.659 175.510 0.061 0.000 1.266 186 N CA 0.609 53.710 53.050 0.084 0.000 0.889 186 N CB 0.084 38.604 38.487 0.055 0.000 1.069 186 N HN 0.065 nan 8.380 nan 0.000 0.476 187 D N 0.588 121.032 120.400 0.073 0.000 2.552 187 D HA 0.171 4.811 4.640 0.000 0.000 0.239 187 D C -0.951 175.402 176.300 0.089 0.000 1.139 187 D CA -0.633 53.413 54.000 0.077 0.000 0.914 187 D CB 1.072 41.928 40.800 0.094 0.000 1.461 187 D HN 0.605 nan 8.370 nan 0.000 0.462 188 E N 0.592 120.856 120.200 0.107 0.000 2.404 188 E HA 0.483 4.833 4.350 0.000 0.000 0.261 188 E C -0.734 175.907 176.600 0.068 0.000 1.074 188 E CA -0.767 55.684 56.400 0.085 0.000 0.917 188 E CB 0.980 30.730 29.700 0.083 0.000 0.965 188 E HN 0.334 nan 8.360 nan 0.000 0.433 189 A N 2.600 125.385 122.820 -0.059 0.000 2.264 189 A HA 0.366 4.686 4.320 0.000 0.000 0.304 189 A C -0.074 177.269 177.584 -0.402 0.000 1.100 189 A CA -0.707 51.205 52.037 -0.209 0.000 0.839 189 A CB 0.920 19.851 19.000 -0.114 0.000 1.121 189 A HN 0.663 nan 8.150 nan 0.000 0.496 190 S N 0.362 115.719 115.700 -0.571 0.000 2.563 190 S HA 0.101 4.571 4.470 0.000 0.000 0.284 190 S C 0.029 174.527 174.600 -0.171 0.000 1.331 190 S CA 0.130 58.086 58.200 -0.406 0.000 1.047 190 S CB 0.214 63.257 63.200 -0.263 0.000 0.859 190 S HN 0.742 nan 8.310 nan 0.000 0.514 191 D N 0.934 121.281 120.400 -0.089 0.000 2.371 191 D HA 0.105 4.745 4.640 0.000 0.000 0.256 191 D C 0.992 177.272 176.300 -0.034 0.000 1.193 191 D CA -0.084 53.893 54.000 -0.037 0.000 0.881 191 D CB 0.706 41.508 40.800 0.003 0.000 1.143 191 D HN 0.487 nan 8.370 nan 0.000 0.473 192 E N 3.556 123.736 120.200 -0.032 0.000 2.038 192 E HA -0.207 4.143 4.350 0.000 0.000 0.195 192 E C 1.854 178.441 176.600 -0.021 0.000 1.000 192 E CA 1.844 58.225 56.400 -0.030 0.000 0.803 192 E CB -0.360 29.325 29.700 -0.025 0.000 0.750 192 E HN 0.603 nan 8.360 nan 0.000 0.448 193 A N -0.225 122.592 122.820 -0.005 0.000 1.908 193 A HA -0.215 4.105 4.320 0.000 0.000 0.218 193 A C 2.436 180.025 177.584 0.008 0.000 1.181 193 A CA 2.157 54.198 52.037 0.007 0.000 0.627 193 A CB -0.783 18.232 19.000 0.025 0.000 0.818 193 A HN 0.291 nan 8.150 nan 0.000 0.445 194 S N -0.664 115.051 115.700 0.025 0.000 2.368 194 S HA -0.108 4.362 4.470 0.000 0.000 0.224 194 S C 1.866 176.401 174.600 -0.108 0.000 1.029 194 S CA 1.290 59.515 58.200 0.040 0.000 0.988 194 S CB -0.434 62.836 63.200 0.117 0.000 0.838 194 S HN 0.520 nan 8.310 nan 0.000 0.462 195 L N 3.020 124.202 121.223 -0.067 0.000 2.012 195 L HA -0.093 4.247 4.340 0.000 0.000 0.210 195 L C 1.688 178.497 176.870 -0.101 0.000 1.073 195 L CA 1.814 56.613 54.840 -0.068 0.000 0.748 195 L CB -1.025 41.009 42.059 -0.041 0.000 0.891 195 L HN 0.152 nan 8.230 nan 0.000 0.431 196 N N 0.155 118.802 118.700 -0.088 0.000 2.120 196 N HA -0.122 4.618 4.740 0.000 0.000 0.188 196 N C 1.807 177.238 175.510 -0.132 0.000 1.024 196 N CA 1.595 54.594 53.050 -0.085 0.000 0.852 196 N CB -0.436 38.021 38.487 -0.049 0.000 1.003 196 N HN 0.550 nan 8.380 nan 0.000 0.424 197 A N 0.943 123.653 122.820 -0.183 0.000 1.930 197 A HA 0.088 4.408 4.320 0.000 0.000 0.217 197 A C 2.359 179.598 177.584 -0.574 0.000 1.175 197 A CA 1.706 53.599 52.037 -0.239 0.000 0.627 197 A CB -0.643 18.314 19.000 -0.071 0.000 0.815 197 A HN 0.310 nan 8.150 nan 0.000 0.443 198 A N -0.576 121.698 122.820 -0.911 0.000 1.898 198 A HA 0.036 4.356 4.320 0.000 0.000 0.216 198 A C 2.220 179.690 177.584 -0.191 0.000 1.181 198 A CA 1.707 53.206 52.037 -0.895 0.000 0.620 198 A CB -0.816 17.784 19.000 -0.667 0.000 0.819 198 A HN 0.343 nan 8.150 nan 0.000 0.442 199 V N 0.298 120.151 119.914 -0.102 0.000 2.307 199 V HA -0.192 3.928 4.120 0.000 0.000 0.245 199 V C 2.556 178.624 176.094 -0.043 0.000 1.045 199 V CA 2.056 64.316 62.300 -0.067 0.000 1.024 199 V CB -0.700 31.055 31.823 -0.114 0.000 0.651 199 V HN 0.507 nan 8.190 nan 0.000 0.449 200 E N -0.132 120.036 120.200 -0.054 0.000 2.118 200 E HA -0.203 4.147 4.350 0.000 0.000 0.195 200 E C 2.250 178.870 176.600 0.033 0.000 0.992 200 E CA 1.002 57.397 56.400 -0.009 0.000 0.804 200 E CB -0.264 29.432 29.700 -0.007 0.000 0.741 200 E HN 0.584 nan 8.360 nan 0.000 0.458 201 E N 0.126 120.343 120.200 0.028 0.000 2.106 201 E HA -0.077 4.273 4.350 0.000 0.000 0.192 201 E C 2.081 178.771 176.600 0.150 0.000 0.984 201 E CA 0.929 57.396 56.400 0.112 0.000 0.806 201 E CB -0.274 29.533 29.700 0.178 0.000 0.750 201 E HN 0.244 nan 8.360 nan 0.000 0.458 202 T N 1.929 116.555 114.554 0.119 0.000 2.777 202 T HA -0.073 4.277 4.350 0.000 0.000 0.266 202 T C 2.157 176.969 174.700 0.188 0.000 1.040 202 T CA 0.730 62.930 62.100 0.167 0.000 1.141 202 T CB -0.181 68.777 68.868 0.151 0.000 0.868 202 T HN 0.089 nan 8.240 nan 0.000 0.444 203 L N 0.347 121.639 121.223 0.116 0.000 2.046 203 L HA -0.099 4.241 4.340 0.000 0.000 0.208 203 L C 2.662 179.597 176.870 0.108 0.000 1.077 203 L CA 1.411 56.310 54.840 0.099 0.000 0.747 203 L CB -0.470 41.622 42.059 0.055 0.000 0.896 203 L HN 0.190 nan 8.230 nan 0.000 0.432 204 K N -0.492 119.977 120.400 0.116 0.000 2.063 204 K HA -0.224 4.096 4.320 0.000 0.000 0.208 204 K C 2.013 178.696 176.600 0.139 0.000 1.048 204 K CA 1.655 58.009 56.287 0.111 0.000 0.928 204 K CB -0.288 32.283 32.500 0.117 0.000 0.713 204 K HN 0.070 nan 8.250 nan 0.000 0.442 205 F N 1.624 121.606 119.950 0.053 0.000 2.134 205 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 205 F C 1.684 177.512 175.800 0.047 0.000 1.097 205 F CA 1.270 59.301 58.000 0.053 0.000 1.264 205 F CB 0.013 39.054 39.000 0.068 0.000 1.001 205 F HN -0.023 nan 8.300 nan 0.000 0.479 206 I N -2.103 118.543 120.570 0.126 0.000 3.793 206 I HA 0.332 4.502 4.170 0.000 0.000 0.315 206 I C 1.936 178.046 176.117 -0.011 0.000 1.275 206 I CA 0.633 61.952 61.300 0.031 0.000 1.214 206 I CB -0.864 37.221 38.000 0.141 0.000 1.018 206 I HN 0.050 nan 8.210 nan 0.000 0.439 207 A N 2.660 125.474 122.820 -0.009 0.000 1.873 207 A HA -0.189 4.131 4.320 0.000 0.000 0.218 207 A C 1.574 179.139 177.584 -0.033 0.000 1.193 207 A CA 1.878 53.909 52.037 -0.009 0.000 0.629 207 A CB -0.669 18.331 19.000 -0.001 0.000 0.826 207 A HN 0.682 nan 8.150 nan 0.000 0.447 208 N N -0.130 118.529 118.700 -0.068 0.000 2.610 208 N HA 0.215 4.955 4.740 0.000 0.000 0.309 208 N C -0.999 174.452 175.510 -0.100 0.000 1.536 208 N CA -0.031 52.977 53.050 -0.069 0.000 0.954 208 N CB 0.683 39.135 38.487 -0.058 0.000 1.310 208 N HN 0.373 nan 8.380 nan 0.000 0.502 209 R N 0.471 120.910 120.500 -0.102 0.000 2.472 209 R HA 0.115 4.455 4.340 0.000 0.000 0.294 209 R C -0.150 176.123 176.300 -0.046 0.000 1.243 209 R CA -0.413 55.627 56.100 -0.101 0.000 1.023 209 R CB 1.457 31.653 30.300 -0.172 0.000 1.157 209 R HN 0.021 nan 8.270 nan 0.000 0.530 210 D N 2.042 122.424 120.400 -0.030 0.000 2.213 210 D HA -0.041 4.599 4.640 0.000 0.000 0.205 210 D C -0.231 176.070 176.300 0.001 0.000 0.961 210 D CA 0.944 54.939 54.000 -0.008 0.000 0.853 210 D CB 0.586 41.386 40.800 0.000 0.000 0.967 210 D HN 0.200 nan 8.370 nan 0.000 0.496 211 K N 0.779 121.173 120.400 -0.010 0.000 2.150 211 K HA 0.254 4.575 4.320 0.000 0.000 0.261 211 K C -0.922 175.678 176.600 0.000 0.000 1.127 211 K CA -0.297 55.984 56.287 -0.009 0.000 0.989 211 K CB 1.669 34.134 32.500 -0.058 0.000 1.475 211 K HN -0.060 nan 8.250 nan 0.000 0.391 212 V N 2.348 122.274 119.914 0.019 0.000 2.394 212 V HA 0.411 4.531 4.120 0.000 0.000 0.282 212 V C 0.116 176.229 176.094 0.031 0.000 1.031 212 V CA -0.813 61.513 62.300 0.043 0.000 0.881 212 V CB 1.263 33.122 31.823 0.061 0.000 0.982 212 V HN 0.732 nan 8.190 nan 0.000 0.451 213 A N 4.839 127.685 122.820 0.042 0.000 2.337 213 A HA 0.844 5.164 4.320 0.000 0.000 0.329 213 A C -0.699 176.912 177.584 0.044 0.000 1.146 213 A CA -0.564 51.486 52.037 0.021 0.000 0.800 213 A CB 1.568 20.575 19.000 0.012 0.000 1.220 213 A HN 0.623 nan 8.150 nan 0.000 0.472 214 V N 2.776 122.693 119.914 0.006 0.000 2.370 214 V HA 0.364 4.484 4.120 0.000 0.000 0.283 214 V C -0.655 175.419 176.094 -0.032 0.000 1.023 214 V CA -0.377 61.939 62.300 0.026 0.000 0.857 214 V CB 1.152 32.986 31.823 0.018 0.000 0.985 214 V HN 0.740 nan 8.190 nan 0.000 0.443 215 L N 6.989 128.218 121.223 0.010 0.000 2.277 215 L HA 0.546 4.886 4.340 0.000 0.000 0.284 215 L C -0.252 176.604 176.870 -0.024 0.000 1.028 215 L CA 0.097 54.934 54.840 -0.006 0.000 0.835 215 L CB 1.500 43.595 42.059 0.061 0.000 1.215 215 L HN 0.441 nan 8.230 nan 0.000 0.425 216 V N 5.355 125.232 119.914 -0.061 0.000 2.455 216 V HA 0.582 4.702 4.120 0.000 0.000 0.273 216 V C 0.992 177.056 176.094 -0.049 0.000 1.045 216 V CA 0.073 62.355 62.300 -0.030 0.000 0.976 216 V CB 0.726 32.542 31.823 -0.012 0.000 0.993 216 V HN 0.892 nan 8.190 nan 0.000 0.475 217 G N 2.673 111.452 108.800 -0.036 0.000 2.491 217 G HA2 0.437 4.397 3.960 0.000 0.000 0.327 217 G HA3 0.437 4.397 3.960 0.000 0.000 0.327 217 G C 0.774 175.675 174.900 0.003 0.000 1.189 217 G CA 0.139 45.176 45.100 -0.104 0.000 0.956 217 G HN 0.804 nan 8.290 nan 0.000 0.491 218 S N -1.140 114.515 115.700 -0.074 0.000 2.603 218 S HA 0.059 4.529 4.470 0.000 0.000 0.220 218 S C 1.200 175.906 174.600 0.177 0.000 0.967 218 S CA 0.264 58.486 58.200 0.037 0.000 0.920 218 S CB 0.065 63.175 63.200 -0.150 0.000 0.773 218 S HN 0.511 nan 8.310 nan 0.000 0.529 219 K N 0.224 120.659 120.400 0.058 0.000 2.397 219 K HA 0.355 4.675 4.320 0.000 0.000 0.202 219 K C 1.092 177.681 176.600 -0.020 0.000 1.022 219 K CA -0.205 56.088 56.287 0.010 0.000 1.141 219 K CB 0.094 32.564 32.500 -0.050 0.000 0.857 219 K HN 0.159 nan 8.250 nan 0.000 0.514 220 L N 1.542 122.785 121.223 0.033 0.000 2.046 220 L HA -0.137 4.203 4.340 0.000 0.000 0.208 220 L C 2.310 179.057 176.870 -0.204 0.000 1.077 220 L CA 1.779 56.595 54.840 -0.040 0.000 0.747 220 L CB -0.220 41.878 42.059 0.065 0.000 0.896 220 L HN 0.115 nan 8.230 nan 0.000 0.432 221 R N -0.837 119.384 120.500 -0.466 0.000 2.092 221 R HA -0.118 4.222 4.340 0.000 0.000 0.231 221 R C 2.131 178.285 176.300 -0.245 0.000 1.119 221 R CA 1.228 57.030 56.100 -0.498 0.000 0.970 221 R CB -0.320 29.495 30.300 -0.809 0.000 0.864 221 R HN 0.450 nan 8.270 nan 0.000 0.440 222 A N 0.489 123.205 122.820 -0.174 0.000 1.972 222 A HA -0.032 4.288 4.320 0.000 0.000 0.219 222 A C 2.146 179.664 177.584 -0.109 0.000 1.169 222 A CA 1.484 53.450 52.037 -0.119 0.000 0.635 222 A CB -0.483 18.457 19.000 -0.100 0.000 0.810 222 A HN 0.502 nan 8.150 nan 0.000 0.446 223 A N -1.452 121.304 122.820 -0.107 0.000 2.238 223 A HA 0.407 4.727 4.320 0.000 0.000 0.208 223 A C 1.739 179.281 177.584 -0.070 0.000 1.177 223 A CA 1.083 53.067 52.037 -0.088 0.000 0.804 223 A CB -1.054 17.904 19.000 -0.070 0.000 0.823 223 A HN 1.838 nan 8.150 nan 0.000 0.482 224 G N -1.694 107.054 108.800 -0.088 0.000 2.283 224 G HA2 -0.023 3.937 3.960 0.000 0.000 0.280 224 G HA3 -0.023 3.937 3.960 0.000 0.000 0.280 224 G C 0.627 175.496 174.900 -0.052 0.000 1.029 224 G CA 0.441 45.497 45.100 -0.073 0.000 0.840 224 G HN 1.570 nan 8.290 nan 0.000 0.505 225 A N -1.115 121.673 122.820 -0.055 0.000 2.564 225 A HA 0.608 4.928 4.320 0.000 0.000 0.279 225 A C 1.429 179.013 177.584 0.001 0.000 1.232 225 A CA 1.025 53.055 52.037 -0.013 0.000 0.950 225 A CB 0.173 19.177 19.000 0.007 0.000 1.138 225 A HN 0.490 nan 8.150 nan 0.000 0.526 226 E N 0.242 120.419 120.200 -0.038 0.000 2.051 226 E HA -0.233 4.117 4.350 0.000 0.000 0.192 226 E C 1.793 178.400 176.600 0.012 0.000 0.991 226 E CA 1.507 57.898 56.400 -0.015 0.000 0.799 226 E CB 0.003 29.654 29.700 -0.083 0.000 0.748 226 E HN 0.786 nan 8.360 nan 0.000 0.449 227 E N 0.349 120.541 120.200 -0.013 0.000 2.072 227 E HA -0.174 4.176 4.350 0.000 0.000 0.191 227 E C 2.027 178.643 176.600 0.027 0.000 0.985 227 E CA 0.891 57.284 56.400 -0.011 0.000 0.801 227 E CB -0.057 29.629 29.700 -0.023 0.000 0.750 227 E HN 0.216 nan 8.360 nan 0.000 0.452 228 A N 1.014 123.857 122.820 0.039 0.000 2.019 228 A HA -0.064 4.256 4.320 0.000 0.000 0.219 228 A C 2.297 179.959 177.584 0.131 0.000 1.164 228 A CA 1.560 53.636 52.037 0.065 0.000 0.644 228 A CB -0.526 18.501 19.000 0.045 0.000 0.805 228 A HN 0.399 nan 8.150 nan 0.000 0.449 229 A N -0.545 122.371 122.820 0.160 0.000 1.930 229 A HA 0.062 4.382 4.320 0.000 0.000 0.217 229 A C 2.176 179.983 177.584 0.373 0.000 1.175 229 A CA 1.591 53.797 52.037 0.282 0.000 0.627 229 A CB -0.725 18.453 19.000 0.297 0.000 0.815 229 A HN 0.350 nan 8.150 nan 0.000 0.443 230 V N 0.210 120.266 119.914 0.236 0.000 2.307 230 V HA -0.263 3.857 4.120 0.000 0.000 0.245 230 V C 2.431 178.604 176.094 0.132 0.000 1.045 230 V CA 2.265 64.652 62.300 0.145 0.000 1.024 230 V CB -0.678 31.101 31.823 -0.073 0.000 0.651 230 V HN 0.517 nan 8.190 nan 0.000 0.449 231 K N -0.670 119.794 120.400 0.106 0.000 2.063 231 K HA -0.221 4.099 4.320 0.000 0.000 0.208 231 K C 2.112 178.776 176.600 0.107 0.000 1.048 231 K CA 2.053 58.391 56.287 0.084 0.000 0.928 231 K CB -0.363 32.179 32.500 0.069 0.000 0.713 231 K HN 0.480 nan 8.250 nan 0.000 0.442 232 F N 1.392 121.354 119.950 0.020 0.000 2.146 232 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 232 F C 2.077 177.869 175.800 -0.014 0.000 1.096 232 F CA 1.213 59.206 58.000 -0.012 0.000 1.275 232 F CB -0.397 38.590 39.000 -0.022 0.000 1.008 232 F HN -0.051 nan 8.300 nan 0.000 0.480 233 A N 0.106 122.850 122.820 -0.127 0.000 1.933 233 A HA -0.168 4.152 4.320 0.000 0.000 0.218 233 A C 1.956 179.291 177.584 -0.415 0.000 1.175 233 A CA 1.921 53.794 52.037 -0.274 0.000 0.628 233 A CB -0.983 18.118 19.000 0.169 0.000 0.814 233 A HN 0.440 nan 8.150 nan 0.000 0.444 234 D N 0.055 120.363 120.400 -0.153 0.000 2.144 234 D HA -0.015 4.625 4.640 0.000 0.000 0.200 234 D C 2.208 178.419 176.300 -0.148 0.000 0.978 234 D CA 1.445 55.405 54.000 -0.067 0.000 0.833 234 D CB -0.370 40.477 40.800 0.078 0.000 0.961 234 D HN 0.425 nan 8.370 nan 0.000 0.470 235 A N 0.610 123.323 122.820 -0.178 0.000 1.898 235 A HA -0.094 4.226 4.320 0.000 0.000 0.216 235 A C 2.163 179.602 177.584 -0.241 0.000 1.181 235 A CA 0.823 52.767 52.037 -0.156 0.000 0.620 235 A CB -0.695 18.244 19.000 -0.101 0.000 0.819 235 A HN 0.228 nan 8.150 nan 0.000 0.442 236 L N -0.395 120.557 121.223 -0.452 0.000 2.046 236 L HA 0.105 4.445 4.340 0.000 0.000 0.208 236 L C 1.709 178.390 176.870 -0.315 0.000 1.077 236 L CA 2.050 56.623 54.840 -0.444 0.000 0.747 236 L CB -0.703 40.906 42.059 -0.750 0.000 0.896 236 L HN 0.773 nan 8.230 nan 0.000 0.432 237 G N -1.258 107.277 108.800 -0.442 0.000 2.225 237 G HA2 -0.230 3.730 3.960 0.000 0.000 0.267 237 G HA3 -0.230 3.730 3.960 0.000 0.000 0.267 237 G C 0.600 175.396 174.900 -0.174 0.000 1.024 237 G CA 0.325 45.226 45.100 -0.332 0.000 0.784 237 G HN 0.868 nan 8.290 nan 0.000 0.507 238 G N -0.932 107.716 108.800 -0.254 0.000 2.537 238 G HA2 0.811 4.771 3.960 0.000 0.000 0.297 238 G HA3 0.811 4.771 3.960 0.000 0.000 0.297 238 G C 0.372 175.248 174.900 -0.039 0.000 1.310 238 G CA 0.126 45.166 45.100 -0.099 0.000 1.027 238 G HN 1.514 nan 8.290 nan 0.000 0.505 239 A N -0.890 121.921 122.820 -0.013 0.000 2.366 239 A HA 0.554 4.874 4.320 0.000 0.000 0.272 239 A C -0.333 177.189 177.584 -0.103 0.000 1.135 239 A CA -0.246 51.765 52.037 -0.044 0.000 0.804 239 A CB 0.605 19.573 19.000 -0.055 0.000 1.064 239 A HN 0.757 nan 8.150 nan 0.000 0.499 240 V N 2.138 121.970 119.914 -0.137 0.000 2.409 240 V HA 0.678 4.798 4.120 0.000 0.000 0.291 240 V C 0.411 176.357 176.094 -0.247 0.000 1.020 240 V CA -0.117 62.041 62.300 -0.237 0.000 0.848 240 V CB 1.090 32.629 31.823 -0.473 0.000 0.990 240 V HN 1.189 nan 8.190 nan 0.000 0.430 241 A N 3.354 126.042 122.820 -0.219 0.000 2.374 241 A HA 0.929 5.249 4.320 0.000 0.000 0.317 241 A C 0.045 177.576 177.584 -0.089 0.000 1.094 241 A CA -0.555 51.357 52.037 -0.208 0.000 0.765 241 A CB 1.754 20.630 19.000 -0.207 0.000 1.268 241 A HN 0.865 nan 8.150 nan 0.000 0.438 242 T N 0.061 114.612 114.554 -0.005 0.000 2.867 242 T HA 0.637 4.987 4.350 0.000 0.000 0.282 242 T C 0.275 174.891 174.700 -0.140 0.000 1.000 242 T CA -0.566 61.513 62.100 -0.036 0.000 1.042 242 T CB 0.600 69.483 68.868 0.026 0.000 0.973 242 T HN 0.546 nan 8.240 nan 0.000 0.465 243 M N 2.067 121.551 119.600 -0.193 0.000 2.226 243 M HA 0.338 4.818 4.480 0.000 0.000 0.324 243 M C 1.932 177.938 176.300 -0.490 0.000 1.112 243 M CA -0.563 54.553 55.300 -0.306 0.000 1.176 243 M CB 0.432 32.850 32.600 -0.304 0.000 1.430 243 M HN 0.954 nan 8.290 nan 0.000 0.462 244 A N 1.833 124.159 122.820 -0.824 0.000 1.903 244 A HA -0.171 4.149 4.320 0.000 0.000 0.219 244 A C 2.036 179.061 177.584 -0.932 0.000 1.191 244 A CA 2.418 53.773 52.037 -1.137 0.000 0.638 244 A CB -1.048 16.516 19.000 -2.392 0.000 0.823 244 A HN 0.952 nan 8.150 nan 0.000 0.451 245 A N -1.308 120.990 122.820 -0.871 0.000 2.235 245 A HA 0.479 4.799 4.320 0.000 0.000 0.208 245 A C 1.844 179.073 177.584 -0.592 0.000 1.172 245 A CA 1.200 52.812 52.037 -0.710 0.000 0.786 245 A CB -0.502 18.132 19.000 -0.609 0.000 0.804 245 A HN 1.073 nan 8.150 nan 0.000 0.479 246 A N -0.636 121.829 122.820 -0.591 0.000 2.387 246 A HA 0.338 4.658 4.320 0.000 0.000 0.234 246 A C 0.898 178.076 177.584 -0.677 0.000 1.253 246 A CA -0.104 51.475 52.037 -0.763 0.000 0.894 246 A CB -0.297 18.510 19.000 -0.322 0.000 0.963 246 A HN 0.294 nan 8.150 nan 0.000 0.508 247 K N 1.360 121.500 120.400 -0.433 0.000 2.504 247 K HA 0.121 4.441 4.320 0.000 0.000 0.278 247 K C 1.013 177.459 176.600 -0.257 0.000 1.025 247 K CA 1.248 57.392 56.287 -0.237 0.000 1.093 247 K CB -0.143 32.310 32.500 -0.078 0.000 0.873 247 K HN 1.065 nan 8.250 nan 0.000 0.483 248 S N 2.666 118.299 115.700 -0.113 0.000 2.659 248 S HA -0.146 4.324 4.470 0.000 0.000 0.264 248 S C 0.648 175.382 174.600 0.225 0.000 1.310 248 S CA 0.735 58.936 58.200 0.002 0.000 1.262 248 S CB -2.139 61.060 63.200 -0.002 0.000 1.548 248 S HN 0.509 nan 8.310 nan 0.000 0.657 249 F N 1.214 121.148 119.950 -0.028 0.000 2.811 249 F HA 0.625 5.152 4.527 0.000 0.000 0.301 249 F C 0.675 176.524 175.800 0.081 0.000 1.151 249 F CA -0.630 57.374 58.000 0.007 0.000 1.412 249 F CB -0.340 38.663 39.000 0.005 0.000 1.113 249 F HN 0.498 nan 8.300 nan 0.000 0.579 250 F N 0.483 120.449 119.950 0.028 0.000 2.596 250 F HA 0.517 5.044 4.527 -0.000 0.000 0.311 250 F C -2.771 172.896 175.800 -0.221 0.000 1.116 250 F CA -2.882 55.073 58.000 -0.075 0.000 0.957 250 F CB 1.560 40.519 39.000 -0.069 0.000 1.250 250 F HN -0.314 nan 8.300 nan 0.000 0.444 251 P HA 0.162 nan 4.420 nan 0.000 0.267 251 P C -0.324 176.733 177.300 -0.406 0.000 1.209 251 P CA 0.287 63.102 63.100 -0.475 0.000 0.763 251 P CB 0.602 32.000 31.700 -0.503 0.000 0.816 252 E N 1.642 121.647 120.200 -0.324 0.000 2.478 252 E HA -0.079 4.271 4.350 0.000 0.000 0.194 252 E C 0.697 177.315 176.600 0.030 0.000 1.045 252 E CA 0.530 56.753 56.400 -0.295 0.000 0.868 252 E CB 0.153 29.745 29.700 -0.179 0.000 0.885 252 E HN 0.617 nan 8.360 nan 0.000 0.505 253 E N 0.877 121.063 120.200 -0.022 0.000 2.474 253 E HA 0.009 4.359 4.350 0.000 0.000 0.194 253 E C 0.480 177.092 176.600 0.020 0.000 1.041 253 E CA -0.271 56.142 56.400 0.022 0.000 0.874 253 E CB 0.227 29.922 29.700 -0.008 0.000 0.914 253 E HN 0.077 nan 8.360 nan 0.000 0.498 254 N N 1.853 120.557 118.700 0.007 0.000 2.454 254 N HA -0.026 4.714 4.740 0.000 0.000 0.260 254 N C -1.886 173.667 175.510 0.072 0.000 1.218 254 N CA -1.122 51.944 53.050 0.028 0.000 0.904 254 N CB 1.081 39.585 38.487 0.030 0.000 1.065 254 N HN -0.162 nan 8.380 nan 0.000 0.462 255 P HA -0.090 nan 4.420 nan 0.000 0.223 255 P C 0.361 177.551 177.300 -0.182 0.000 1.144 255 P CA 1.274 64.267 63.100 -0.179 0.000 0.783 255 P CB 0.077 31.574 31.700 -0.338 0.000 0.771 256 H N -3.768 115.408 119.070 0.176 0.000 2.592 256 H HA 0.082 4.638 4.556 0.000 0.000 0.265 256 H C 0.310 175.715 175.328 0.128 0.000 0.955 256 H CA -0.199 55.931 56.048 0.136 0.000 1.175 256 H CB -0.389 29.452 29.762 0.132 0.000 1.433 256 H HN 0.168 nan 8.280 nan 0.000 0.537 257 Y N 2.819 123.226 120.300 0.178 0.000 2.496 257 Y HA 0.069 4.619 4.550 0.000 0.000 0.334 257 Y C 1.435 177.296 175.900 -0.066 0.000 1.080 257 Y CA -0.651 57.503 58.100 0.090 0.000 1.355 257 Y CB 0.265 38.861 38.460 0.226 0.000 1.193 257 Y HN 0.111 nan 8.280 nan 0.000 0.523 258 I N 2.725 122.852 120.570 -0.739 0.000 4.018 258 I HA 0.617 4.787 4.170 0.000 0.000 0.337 258 I C 0.809 176.438 176.117 -0.813 0.000 1.327 258 I CA 0.491 61.255 61.300 -0.892 0.000 1.100 258 I CB -0.031 37.137 38.000 -1.386 0.000 1.025 258 I HN 0.771 nan 8.210 nan 0.000 0.396 259 G N 1.183 109.124 108.800 -1.431 0.000 2.396 259 G HA2 -0.124 3.836 3.960 0.000 0.000 0.254 259 G HA3 -0.124 3.836 3.960 0.000 0.000 0.254 259 G C -0.539 173.832 174.900 -0.883 0.000 1.248 259 G CA -0.352 44.026 45.100 -1.203 0.000 1.033 259 G HN 0.148 nan 8.290 nan 0.000 0.502 260 T N 0.771 114.727 114.554 -0.997 0.000 2.851 260 T HA 0.510 4.860 4.350 0.000 0.000 0.298 260 T C 0.555 175.180 174.700 -0.125 0.000 0.977 260 T CA 0.914 62.760 62.100 -0.424 0.000 1.126 260 T CB 1.315 70.017 68.868 -0.277 0.000 0.916 260 T HN 1.161 nan 8.240 nan 0.000 0.529 261 S N 3.435 119.098 115.700 -0.062 0.000 2.423 261 S HA 0.419 4.889 4.470 0.000 0.000 0.317 261 S C -1.165 173.539 174.600 0.174 0.000 1.065 261 S CA -0.684 57.551 58.200 0.058 0.000 1.111 261 S CB -0.000 63.214 63.200 0.024 0.000 0.968 261 S HN 0.757 nan 8.310 nan 0.000 0.474 262 W N 5.651 126.973 121.300 0.037 0.000 1.267 262 W HA 0.410 5.070 4.660 0.000 0.000 0.314 262 W C 0.574 177.160 176.519 0.112 0.000 0.896 262 W CA -0.413 56.966 57.345 0.056 0.000 1.521 262 W CB 0.022 29.497 29.460 0.024 0.000 1.654 262 W HN 1.082 nan 8.180 nan 0.000 0.454 263 G N 2.481 111.469 108.800 0.313 0.000 2.634 263 G HA2 -0.426 3.534 3.960 0.000 0.000 0.309 263 G HA3 -0.426 3.534 3.960 0.000 0.000 0.309 263 G C 1.051 176.036 174.900 0.141 0.000 1.265 263 G CA 1.140 46.358 45.100 0.197 0.000 0.998 263 G HN 0.589 nan 8.290 nan 0.000 0.551 264 E N 0.354 120.606 120.200 0.086 0.000 2.511 264 E HA 0.179 4.529 4.350 0.000 0.000 0.196 264 E C 1.707 178.334 176.600 0.046 0.000 1.066 264 E CA 1.251 57.687 56.400 0.060 0.000 0.871 264 E CB -0.060 29.659 29.700 0.032 0.000 0.863 264 E HN 1.250 nan 8.360 nan 0.000 0.520 265 V N -1.684 118.253 119.914 0.039 0.000 3.006 265 V HA 0.299 4.419 4.120 0.000 0.000 0.357 265 V C 0.235 176.448 176.094 0.199 0.000 1.377 265 V CA -0.815 61.511 62.300 0.042 0.000 1.198 265 V CB 0.127 31.878 31.823 -0.120 0.000 1.216 265 V HN 0.028 nan 8.190 nan 0.000 0.520 266 S N 0.606 116.444 115.700 0.231 0.000 2.589 266 S HA 0.477 4.947 4.470 0.000 0.000 0.265 266 S C -0.122 174.692 174.600 0.356 0.000 1.342 266 S CA -0.098 58.280 58.200 0.296 0.000 1.005 266 S CB 0.294 63.629 63.200 0.225 0.000 0.909 266 S HN 0.475 nan 8.310 nan 0.000 0.555 267 Y N 1.744 122.116 120.300 0.120 0.000 2.511 267 Y HA 0.164 4.714 4.550 0.000 0.000 0.347 267 Y C -1.915 174.061 175.900 0.126 0.000 1.257 267 Y CA -1.905 56.260 58.100 0.107 0.000 1.469 267 Y CB -0.832 37.673 38.460 0.075 0.000 1.353 267 Y HN 0.396 nan 8.280 nan 0.000 0.617 268 P HA 0.099 nan 4.420 nan 0.000 0.261 268 P C 0.685 178.133 177.300 0.247 0.000 1.183 268 P CA 1.833 65.028 63.100 0.159 0.000 0.761 268 P CB 0.340 32.083 31.700 0.071 0.000 0.785 269 G N 1.615 110.537 108.800 0.204 0.000 2.268 269 G HA2 -0.319 3.641 3.960 0.000 0.000 0.240 269 G HA3 -0.319 3.641 3.960 0.000 0.000 0.240 269 G C 1.026 176.171 174.900 0.407 0.000 1.010 269 G CA 0.256 45.505 45.100 0.248 0.000 0.618 269 G HN 0.390 nan 8.290 nan 0.000 0.516 270 V N 1.009 121.140 119.914 0.362 0.000 2.358 270 V HA -0.070 4.051 4.120 0.000 0.000 0.246 270 V C 2.427 178.634 176.094 0.190 0.000 1.047 270 V CA 2.819 65.258 62.300 0.231 0.000 1.035 270 V CB -0.331 31.561 31.823 0.115 0.000 0.658 270 V HN 0.611 nan 8.190 nan 0.000 0.452 271 E N 0.395 120.705 120.200 0.184 0.000 2.058 271 E HA -0.267 4.083 4.350 0.000 0.000 0.194 271 E C 2.297 178.990 176.600 0.155 0.000 0.997 271 E CA 1.537 58.029 56.400 0.152 0.000 0.801 271 E CB -0.036 29.747 29.700 0.138 0.000 0.746 271 E HN 0.566 nan 8.360 nan 0.000 0.450 272 K N -0.392 120.126 120.400 0.197 0.000 2.026 272 K HA -0.107 4.213 4.320 0.000 0.000 0.208 272 K C 2.258 179.013 176.600 0.259 0.000 1.048 272 K CA 1.785 58.215 56.287 0.237 0.000 0.929 272 K CB -0.215 32.468 32.500 0.305 0.000 0.713 272 K HN 0.146 nan 8.250 nan 0.000 0.439 273 T N 1.556 116.323 114.554 0.355 0.000 2.720 273 T HA -0.140 4.210 4.350 0.000 0.000 0.268 273 T C 1.820 176.552 174.700 0.052 0.000 1.037 273 T CA 1.256 63.526 62.100 0.283 0.000 1.144 273 T CB -0.055 69.047 68.868 0.390 0.000 0.864 273 T HN 0.109 nan 8.240 nan 0.000 0.444 274 M N 0.914 120.558 119.600 0.074 0.000 2.175 274 M HA 0.042 4.522 4.480 0.000 0.000 0.264 274 M C 2.246 178.553 176.300 0.012 0.000 1.063 274 M CA 1.247 56.569 55.300 0.038 0.000 1.119 274 M CB -0.914 31.723 32.600 0.061 0.000 1.377 274 M HN 0.194 nan 8.290 nan 0.000 0.415 275 K N 0.263 120.674 120.400 0.018 0.000 2.148 275 K HA -0.144 4.176 4.320 0.000 0.000 0.204 275 K C 1.590 178.149 176.600 -0.068 0.000 1.050 275 K CA 0.995 57.281 56.287 -0.001 0.000 0.942 275 K CB 0.274 32.793 32.500 0.031 0.000 0.724 275 K HN 0.171 nan 8.250 nan 0.000 0.446 276 E N 0.361 120.458 120.200 -0.170 0.000 2.299 276 E HA 0.044 4.394 4.350 0.000 0.000 0.193 276 E C 0.265 176.702 176.600 -0.272 0.000 0.998 276 E CA 0.169 56.368 56.400 -0.335 0.000 0.851 276 E CB -0.002 29.161 29.700 -0.896 0.000 0.795 276 E HN 0.286 nan 8.360 nan 0.000 0.492 277 A N 1.978 124.688 122.820 -0.183 0.000 2.561 277 A HA -0.066 4.254 4.320 0.000 0.000 0.234 277 A C 0.719 178.265 177.584 -0.063 0.000 1.055 277 A CA 0.222 52.197 52.037 -0.103 0.000 0.756 277 A CB 0.228 19.207 19.000 -0.035 0.000 0.986 277 A HN -0.049 nan 8.150 nan 0.000 0.505 278 D N 0.673 121.043 120.400 -0.049 0.000 2.249 278 D HA 0.245 4.885 4.640 0.000 0.000 0.205 278 D C 0.603 176.909 176.300 0.010 0.000 0.962 278 D CA 1.730 55.706 54.000 -0.039 0.000 0.860 278 D CB 0.128 40.891 40.800 -0.063 0.000 0.955 278 D HN 0.712 nan 8.370 nan 0.000 0.505 279 A N 0.382 123.238 122.820 0.060 0.000 2.488 279 A HA 0.527 4.847 4.320 0.000 0.000 0.298 279 A C -1.098 176.576 177.584 0.150 0.000 1.044 279 A CA -0.567 51.579 52.037 0.182 0.000 0.693 279 A CB 1.937 21.086 19.000 0.249 0.000 1.272 279 A HN -0.099 nan 8.150 nan 0.000 0.402 280 V N 3.561 123.571 119.914 0.161 0.000 2.409 280 V HA 0.381 4.501 4.120 0.000 0.000 0.291 280 V C -0.337 175.837 176.094 0.134 0.000 1.020 280 V CA -0.191 62.182 62.300 0.123 0.000 0.848 280 V CB 1.349 33.230 31.823 0.097 0.000 0.990 280 V HN 0.723 nan 8.190 nan 0.000 0.430 281 I N 4.662 125.317 120.570 0.141 0.000 2.287 281 I HA 0.505 4.675 4.170 0.000 0.000 0.290 281 I C 0.659 176.843 176.117 0.112 0.000 1.069 281 I CA -0.261 61.122 61.300 0.137 0.000 1.237 281 I CB 1.230 39.350 38.000 0.200 0.000 1.418 281 I HN 0.658 nan 8.210 nan 0.000 0.481 282 A N 8.327 131.206 122.820 0.100 0.000 2.269 282 A HA 0.591 4.911 4.320 0.000 0.000 0.302 282 A C -0.168 177.438 177.584 0.037 0.000 1.266 282 A CA -0.432 51.662 52.037 0.094 0.000 0.894 282 A CB 0.137 19.253 19.000 0.193 0.000 1.147 282 A HN 0.739 nan 8.150 nan 0.000 0.537 283 L N 2.832 124.067 121.223 0.019 0.000 2.282 283 L HA 0.451 4.791 4.340 0.000 0.000 0.287 283 L C 1.068 177.923 176.870 -0.026 0.000 1.075 283 L CA -0.001 54.844 54.840 0.009 0.000 0.839 283 L CB 0.657 42.742 42.059 0.042 0.000 1.219 283 L HN 1.048 nan 8.230 nan 0.000 0.434 284 A N 3.827 126.617 122.820 -0.050 0.000 2.519 284 A HA -0.126 4.194 4.320 0.000 0.000 0.297 284 A C -2.317 175.187 177.584 -0.133 0.000 1.472 284 A CA -0.282 51.711 52.037 -0.074 0.000 0.739 284 A CB -1.725 17.246 19.000 -0.048 0.000 1.096 284 A HN 0.486 nan 8.150 nan 0.000 0.414 285 P HA 0.548 nan 4.420 nan 0.000 0.282 285 P C -0.455 176.538 177.300 -0.513 0.000 1.259 285 P CA -0.383 62.428 63.100 -0.482 0.000 0.826 285 P CB 1.792 32.979 31.700 -0.855 0.000 1.064 286 V N 3.046 122.648 119.914 -0.521 0.000 2.326 286 V HA 0.269 4.389 4.120 0.000 0.000 0.281 286 V C -0.413 175.469 176.094 -0.353 0.000 1.015 286 V CA -0.318 61.783 62.300 -0.333 0.000 0.823 286 V CB 0.189 31.904 31.823 -0.180 0.000 1.009 286 V HN 0.317 nan 8.190 nan 0.000 0.436 287 F N 5.593 125.568 119.950 0.042 0.000 2.335 287 F HA 0.495 5.022 4.527 -0.000 0.000 0.365 287 F C 0.631 176.501 175.800 0.116 0.000 1.122 287 F CA -0.700 57.348 58.000 0.080 0.000 1.151 287 F CB 0.514 39.596 39.000 0.136 0.000 1.282 287 F HN 0.684 nan 8.300 nan 0.000 0.513 288 N N 0.255 119.041 118.700 0.143 0.000 3.091 288 N HA 0.230 4.970 4.740 0.000 0.000 0.329 288 N C 0.494 175.715 175.510 -0.481 0.000 1.430 288 N CA -0.770 52.279 53.050 -0.002 0.000 0.755 288 N CB 0.295 38.786 38.487 0.007 0.000 1.626 288 N HN 0.257 nan 8.380 nan 0.000 0.614 289 D N -1.347 118.652 120.400 -0.668 0.000 2.219 289 D HA -0.194 4.446 4.640 0.000 0.000 0.205 289 D C 0.914 177.069 176.300 -0.242 0.000 0.970 289 D CA 1.411 54.785 54.000 -1.044 0.000 0.851 289 D CB -0.363 40.103 40.800 -0.556 0.000 0.943 289 D HN 0.442 nan 8.370 nan 0.000 0.488 290 Y N 1.630 121.866 120.300 -0.106 0.000 2.269 290 Y HA -0.014 4.536 4.550 0.000 0.000 0.294 290 Y C 2.908 179.080 175.900 0.453 0.000 1.120 290 Y CA 0.698 58.984 58.100 0.310 0.000 1.159 290 Y CB -0.757 37.960 38.460 0.429 0.000 1.024 290 Y HN 0.133 nan 8.280 nan 0.000 0.532 291 S N -1.160 114.731 115.700 0.319 0.000 2.489 291 S HA -0.079 4.391 4.470 0.000 0.000 0.228 291 S C 1.516 176.298 174.600 0.304 0.000 0.995 291 S CA 1.094 59.408 58.200 0.189 0.000 0.934 291 S CB -0.939 62.232 63.200 -0.049 0.000 0.771 291 S HN 0.468 nan 8.310 nan 0.000 0.522 292 T N -1.888 112.792 114.554 0.211 0.000 3.145 292 T HA 0.241 4.591 4.350 0.000 0.000 0.255 292 T C 0.333 175.134 174.700 0.167 0.000 1.039 292 T CA 0.305 62.521 62.100 0.194 0.000 0.928 292 T CB -0.760 68.181 68.868 0.120 0.000 1.029 292 T HN 0.303 nan 8.240 nan 0.000 0.554 293 T N 1.775 116.483 114.554 0.256 0.000 3.580 293 T HA -0.054 4.296 4.350 0.000 0.000 0.402 293 T C 1.219 175.866 174.700 -0.088 0.000 0.765 293 T CA 0.803 62.976 62.100 0.122 0.000 2.064 293 T CB -2.220 66.727 68.868 0.131 0.000 1.724 293 T HN 1.738 nan 8.240 nan 0.000 0.719 294 G N 0.610 109.277 108.800 -0.221 0.000 2.246 294 G HA2 -0.285 3.675 3.960 0.000 0.000 0.273 294 G HA3 -0.285 3.675 3.960 0.000 0.000 0.273 294 G C 0.472 175.330 174.900 -0.069 0.000 1.055 294 G CA 0.662 45.610 45.100 -0.253 0.000 0.851 294 G HN 1.393 nan 8.290 nan 0.000 0.500 295 W N -2.944 118.406 121.300 0.083 0.000 3.456 295 W HA -0.325 4.334 4.660 -0.000 0.000 0.314 295 W C 1.886 178.431 176.519 0.042 0.000 1.192 295 W CA 1.364 58.745 57.345 0.061 0.000 0.654 295 W CB -2.302 27.180 29.460 0.037 0.000 2.251 295 W HN 0.992 nan 8.180 nan 0.000 1.360 296 T N -4.133 110.531 114.554 0.182 0.000 3.051 296 T HA 0.033 4.383 4.350 0.000 0.000 0.255 296 T C 0.460 175.235 174.700 0.125 0.000 1.085 296 T CA 1.127 63.304 62.100 0.129 0.000 1.109 296 T CB 0.270 69.183 68.868 0.075 0.000 0.921 296 T HN 0.090 nan 8.240 nan 0.000 0.488 297 D N 0.717 121.205 120.400 0.148 0.000 2.434 297 D HA 0.409 5.049 4.640 0.000 0.000 0.275 297 D C -1.019 175.358 176.300 0.129 0.000 1.172 297 D CA -0.673 53.410 54.000 0.138 0.000 0.916 297 D CB -0.115 40.788 40.800 0.171 0.000 1.041 297 D HN 0.399 nan 8.370 nan 0.000 0.501 298 I N 3.226 123.843 120.570 0.078 0.000 2.378 298 I HA 0.378 4.548 4.170 0.000 0.000 0.291 298 I C -1.816 174.247 176.117 -0.091 0.000 0.992 298 I CA -2.136 59.155 61.300 -0.015 0.000 1.154 298 I CB 1.750 39.767 38.000 0.028 0.000 1.315 298 I HN 0.175 nan 8.210 nan 0.000 0.448 299 P HA 0.021 nan 4.420 nan 0.000 0.268 299 P C -0.629 176.606 177.300 -0.108 0.000 1.204 299 P CA -0.255 62.755 63.100 -0.151 0.000 0.768 299 P CB 0.380 31.938 31.700 -0.236 0.000 0.842 300 D N 3.879 124.255 120.400 -0.040 0.000 2.412 300 D HA -0.004 4.636 4.640 0.000 0.000 0.257 300 D C -1.446 174.847 176.300 -0.012 0.000 1.217 300 D CA -1.621 52.369 54.000 -0.017 0.000 0.897 300 D CB 0.623 41.429 40.800 0.009 0.000 1.132 300 D HN 0.136 nan 8.370 nan 0.000 0.493 301 P HA -0.124 nan 4.420 nan 0.000 0.218 301 P C 0.722 178.036 177.300 0.022 0.000 1.148 301 P CA 1.187 64.275 63.100 -0.020 0.000 0.822 301 P CB 0.298 31.982 31.700 -0.026 0.000 0.784 302 K N -0.478 119.952 120.400 0.050 0.000 2.439 302 K HA -0.016 4.304 4.320 0.000 0.000 0.197 302 K C 1.554 178.282 176.600 0.213 0.000 1.041 302 K CA 0.978 57.329 56.287 0.108 0.000 0.970 302 K CB -0.234 32.313 32.500 0.078 0.000 0.773 302 K HN 0.180 nan 8.250 nan 0.000 0.479 303 K N -0.235 120.268 120.400 0.171 0.000 2.358 303 K HA 0.154 4.474 4.320 0.000 0.000 0.200 303 K C -0.392 176.349 176.600 0.235 0.000 1.030 303 K CA -0.286 56.150 56.287 0.249 0.000 1.097 303 K CB 0.432 33.009 32.500 0.127 0.000 0.862 303 K HN -0.044 nan 8.250 nan 0.000 0.534 304 L N 1.726 123.004 121.223 0.091 0.000 2.276 304 L HA 0.217 4.557 4.340 0.000 0.000 0.286 304 L C -0.768 176.028 176.870 -0.123 0.000 1.061 304 L CA -0.396 54.453 54.840 0.014 0.000 0.807 304 L CB 1.371 43.427 42.059 -0.004 0.000 1.177 304 L HN -0.258 nan 8.230 nan 0.000 0.429 305 V N 6.697 126.562 119.914 -0.082 0.000 2.333 305 V HA 0.289 4.409 4.120 0.000 0.000 0.274 305 V C -0.265 175.803 176.094 -0.043 0.000 1.028 305 V CA -0.550 61.669 62.300 -0.135 0.000 0.851 305 V CB 1.284 33.070 31.823 -0.062 0.000 1.000 305 V HN 0.568 nan 8.190 nan 0.000 0.456 306 L N 5.898 127.083 121.223 -0.062 0.000 2.270 306 L HA 0.694 5.034 4.340 0.000 0.000 0.286 306 L C 0.534 177.349 176.870 -0.092 0.000 1.059 306 L CA -0.057 54.769 54.840 -0.023 0.000 0.839 306 L CB 0.811 42.874 42.059 0.007 0.000 1.221 306 L HN 0.680 nan 8.230 nan 0.000 0.431 307 A N 5.210 127.970 122.820 -0.100 0.000 2.540 307 A HA 0.550 4.870 4.320 0.000 0.000 0.340 307 A C 0.068 177.577 177.584 -0.126 0.000 1.424 307 A CA -0.661 51.253 52.037 -0.204 0.000 0.940 307 A CB -0.173 18.708 19.000 -0.198 0.000 1.149 307 A HN 0.624 nan 8.150 nan 0.000 0.505 308 E N 2.167 122.296 120.200 -0.118 0.000 2.342 308 E HA 0.173 4.523 4.350 0.000 0.000 0.257 308 E C -1.633 174.914 176.600 -0.088 0.000 1.150 308 E CA -1.870 54.480 56.400 -0.084 0.000 0.926 308 E CB 0.223 29.885 29.700 -0.064 0.000 1.074 308 E HN 0.240 nan 8.360 nan 0.000 0.449 309 P HA -0.086 nan 4.420 nan 0.000 0.217 309 P C 0.588 177.823 177.300 -0.107 0.000 1.148 309 P CA 1.596 64.641 63.100 -0.092 0.000 0.828 309 P CB 0.281 31.916 31.700 -0.109 0.000 0.783 310 R N -1.752 118.691 120.500 -0.096 0.000 2.566 310 R HA 0.267 4.607 4.340 0.000 0.000 0.388 310 R C -0.004 176.295 176.300 -0.001 0.000 0.989 310 R CA 0.119 56.176 56.100 -0.072 0.000 1.164 310 R CB 0.735 30.954 30.300 -0.135 0.000 1.459 310 R HN 0.184 nan 8.270 nan 0.000 0.553 311 S N -1.329 114.349 115.700 -0.038 0.000 2.588 311 S HA 0.587 5.057 4.470 0.000 0.000 0.269 311 S C -0.948 173.589 174.600 -0.105 0.000 1.157 311 S CA -0.768 57.414 58.200 -0.030 0.000 0.824 311 S CB 2.430 65.623 63.200 -0.011 0.000 1.126 311 S HN -0.140 nan 8.310 nan 0.000 0.464 312 V N 1.277 121.140 119.914 -0.084 0.000 2.638 312 V HA 0.627 4.747 4.120 0.000 0.000 0.306 312 V C -0.906 175.189 176.094 0.000 0.000 1.052 312 V CA -0.659 61.540 62.300 -0.169 0.000 0.885 312 V CB 1.811 33.377 31.823 -0.430 0.000 0.999 312 V HN 0.865 nan 8.190 nan 0.000 0.424 313 V N 5.104 124.988 119.914 -0.050 0.000 2.357 313 V HA 0.698 4.818 4.120 0.000 0.000 0.284 313 V C -0.408 175.646 176.094 -0.066 0.000 1.018 313 V CA -0.532 61.746 62.300 -0.037 0.000 0.841 313 V CB 1.672 33.459 31.823 -0.059 0.000 0.991 313 V HN 0.639 nan 8.190 nan 0.000 0.437 314 V N 5.120 125.019 119.914 -0.026 0.000 2.777 314 V HA 0.567 4.687 4.120 0.000 0.000 0.306 314 V C 0.222 176.260 176.094 -0.093 0.000 1.112 314 V CA -0.356 61.868 62.300 -0.127 0.000 0.917 314 V CB 1.912 33.713 31.823 -0.037 0.000 1.018 314 V HN 0.940 nan 8.190 nan 0.000 0.426 315 N N 4.200 122.731 118.700 -0.282 0.000 2.747 315 N HA -0.157 4.583 4.740 0.000 0.000 0.249 315 N C 0.848 176.367 175.510 0.014 0.000 1.107 315 N CA 2.036 55.070 53.050 -0.027 0.000 0.707 315 N CB -1.171 37.405 38.487 0.148 0.000 1.054 315 N HN 2.320 nan 8.380 nan 0.000 0.555 316 G N -1.238 107.535 108.800 -0.045 0.000 2.147 316 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 316 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 316 G C 0.031 174.885 174.900 -0.076 0.000 1.005 316 G CA 0.501 45.578 45.100 -0.039 0.000 0.713 316 G HN 0.561 nan 8.290 nan 0.000 0.515 317 I N -0.699 119.803 120.570 -0.113 0.000 2.582 317 I HA 0.480 4.650 4.170 0.000 0.000 0.292 317 I C 0.283 176.168 176.117 -0.387 0.000 1.066 317 I CA -1.116 60.018 61.300 -0.278 0.000 1.053 317 I CB 2.124 39.910 38.000 -0.355 0.000 1.241 317 I HN 0.106 nan 8.210 nan 0.000 0.421 318 R N 5.132 125.371 120.500 -0.436 0.000 2.265 318 R HA 0.522 4.862 4.340 0.000 0.000 0.319 318 R C -1.729 174.267 176.300 -0.508 0.000 1.006 318 R CA -0.324 55.579 56.100 -0.329 0.000 0.880 318 R CB 0.718 30.912 30.300 -0.177 0.000 1.077 318 R HN 0.419 nan 8.270 nan 0.000 0.454 319 F N 7.069 126.982 119.950 -0.062 0.000 2.359 319 F HA 0.366 4.893 4.527 -0.000 0.000 0.370 319 F C -1.775 173.996 175.800 -0.049 0.000 1.077 319 F CA -2.271 55.699 58.000 -0.051 0.000 1.136 319 F CB 1.278 40.243 39.000 -0.058 0.000 1.387 319 F HN 0.398 nan 8.300 nan 0.000 0.468 320 P HA 0.084 nan 4.420 nan 0.000 0.274 320 P C 0.111 177.467 177.300 0.094 0.000 1.256 320 P CA -0.001 63.138 63.100 0.065 0.000 0.795 320 P CB 1.066 32.785 31.700 0.031 0.000 1.038 321 S N -2.729 113.029 115.700 0.096 0.000 3.635 321 S HA -0.089 4.381 4.470 0.000 0.000 0.328 321 S C 0.023 174.692 174.600 0.116 0.000 1.135 321 S CA 0.635 58.909 58.200 0.123 0.000 0.942 321 S CB -2.019 61.225 63.200 0.073 0.000 0.930 321 S HN 0.415 nan 8.310 nan 0.000 0.512 322 V N 2.415 122.414 119.914 0.142 0.000 2.349 322 V HA 0.296 4.416 4.120 0.000 0.000 0.284 322 V C 0.369 176.577 176.094 0.190 0.000 1.014 322 V CA -0.658 61.700 62.300 0.097 0.000 0.826 322 V CB 0.978 32.812 31.823 0.018 0.000 1.009 322 V HN 0.516 nan 8.190 nan 0.000 0.431 323 H N 3.996 123.063 119.070 -0.005 0.000 2.722 323 H HA 0.110 4.666 4.556 0.000 0.000 0.328 323 H C 0.892 176.229 175.328 0.014 0.000 1.067 323 H CA -0.806 55.238 56.048 -0.006 0.000 1.447 323 H CB 1.893 31.654 29.762 -0.001 0.000 1.469 323 H HN 0.523 nan 8.280 nan 0.000 0.544 324 L N 4.123 125.406 121.223 0.100 0.000 2.043 324 L HA -0.233 4.107 4.340 0.000 0.000 0.212 324 L C 2.348 179.288 176.870 0.117 0.000 1.075 324 L CA 1.836 56.726 54.840 0.084 0.000 0.752 324 L CB -0.552 41.517 42.059 0.018 0.000 0.891 324 L HN 0.612 nan 8.230 nan 0.000 0.432 325 K N -0.937 119.517 120.400 0.090 0.000 2.057 325 K HA -0.197 4.123 4.320 0.000 0.000 0.207 325 K C 1.663 178.300 176.600 0.061 0.000 1.049 325 K CA 1.837 58.163 56.287 0.065 0.000 0.931 325 K CB -0.156 32.376 32.500 0.053 0.000 0.714 325 K HN 0.417 nan 8.250 nan 0.000 0.440 326 D N -0.396 120.052 120.400 0.081 0.000 2.123 326 D HA -0.161 4.479 4.640 0.000 0.000 0.200 326 D C 1.753 178.078 176.300 0.042 0.000 0.976 326 D CA 0.898 54.923 54.000 0.042 0.000 0.831 326 D CB -0.385 40.426 40.800 0.018 0.000 0.974 326 D HN 0.290 nan 8.370 nan 0.000 0.469 327 Y N 1.760 122.026 120.300 -0.057 0.000 2.145 327 Y HA -0.160 4.390 4.550 -0.000 0.000 0.286 327 Y C 2.200 178.019 175.900 -0.135 0.000 1.145 327 Y CA 1.342 59.380 58.100 -0.102 0.000 1.148 327 Y CB -0.465 37.929 38.460 -0.109 0.000 0.981 327 Y HN -0.125 nan 8.280 nan 0.000 0.507 328 L N -0.835 120.306 121.223 -0.137 0.000 2.046 328 L HA -0.232 4.108 4.340 0.000 0.000 0.208 328 L C 2.350 179.138 176.870 -0.136 0.000 1.077 328 L CA 1.853 56.539 54.840 -0.257 0.000 0.747 328 L CB -0.887 41.133 42.059 -0.066 0.000 0.896 328 L HN 0.230 nan 8.230 nan 0.000 0.432 329 T N -1.057 113.461 114.554 -0.060 0.000 2.737 329 T HA -0.215 4.135 4.350 0.000 0.000 0.265 329 T C 2.014 176.686 174.700 -0.047 0.000 1.038 329 T CA 1.358 63.444 62.100 -0.025 0.000 1.144 329 T CB -0.167 68.695 68.868 -0.010 0.000 0.866 329 T HN 0.131 nan 8.240 nan 0.000 0.434 330 R N 0.711 121.160 120.500 -0.085 0.000 2.081 330 R HA 0.049 4.389 4.340 0.000 0.000 0.235 330 R C 2.163 178.393 176.300 -0.117 0.000 1.131 330 R CA 1.000 57.047 56.100 -0.089 0.000 0.960 330 R CB -0.923 29.324 30.300 -0.088 0.000 0.856 330 R HN 0.253 nan 8.270 nan 0.000 0.436 331 L N 0.127 121.217 121.223 -0.222 0.000 2.083 331 L HA 0.054 4.394 4.340 0.000 0.000 0.209 331 L C 2.045 178.940 176.870 0.042 0.000 1.083 331 L CA 2.082 56.804 54.840 -0.196 0.000 0.752 331 L CB -0.841 40.896 42.059 -0.537 0.000 0.899 331 L HN 0.293 nan 8.230 nan 0.000 0.433 332 A N -1.524 121.356 122.820 0.099 0.000 2.070 332 A HA -0.220 4.100 4.320 0.000 0.000 0.220 332 A C 2.133 179.745 177.584 0.047 0.000 1.159 332 A CA 1.533 53.655 52.037 0.141 0.000 0.656 332 A CB -0.430 18.647 19.000 0.130 0.000 0.800 332 A HN 0.649 nan 8.150 nan 0.000 0.453 333 Q N -0.822 118.988 119.800 0.017 0.000 2.245 333 Q HA -0.001 4.339 4.340 0.000 0.000 0.201 333 Q C 1.445 177.445 176.000 0.001 0.000 0.955 333 Q CA 1.145 56.950 55.803 0.002 0.000 0.870 333 Q CB 0.065 28.798 28.738 -0.009 0.000 0.945 333 Q HN 0.619 nan 8.270 nan 0.000 0.461 334 K N -0.460 119.941 120.400 0.002 0.000 2.399 334 K HA 0.178 4.498 4.320 0.000 0.000 0.196 334 K C 0.260 176.868 176.600 0.014 0.000 1.103 334 K CA -0.069 56.218 56.287 0.001 0.000 0.986 334 K CB 1.127 33.620 32.500 -0.011 0.000 0.952 334 K HN -0.060 nan 8.250 nan 0.000 0.541 335 V N 2.768 122.701 119.914 0.032 0.000 2.811 335 V HA 0.043 4.163 4.120 0.000 0.000 0.302 335 V C 0.149 176.248 176.094 0.007 0.000 1.063 335 V CA -0.071 62.255 62.300 0.043 0.000 1.088 335 V CB 1.323 33.209 31.823 0.105 0.000 0.982 335 V HN 0.394 nan 8.190 nan 0.000 0.485 336 S N 5.188 120.890 115.700 0.004 0.000 2.745 336 S HA 0.598 5.068 4.470 0.000 0.000 0.292 336 S C -0.426 174.157 174.600 -0.028 0.000 1.133 336 S CA -0.890 57.304 58.200 -0.009 0.000 0.998 336 S CB 1.135 64.335 63.200 0.000 0.000 1.087 336 S HN 0.622 nan 8.310 nan 0.000 0.551 337 K N 1.516 121.900 120.400 -0.027 0.000 2.472 337 K HA 0.164 4.484 4.320 0.000 0.000 0.280 337 K C -0.411 176.174 176.600 -0.024 0.000 1.028 337 K CA 0.592 56.859 56.287 -0.034 0.000 1.045 337 K CB 0.135 32.628 32.500 -0.013 0.000 0.902 337 K HN 0.399 nan 8.250 nan 0.000 0.478 338 K N 2.933 123.309 120.400 -0.040 0.000 2.753 338 K HA 0.085 4.405 4.320 0.000 0.000 0.185 338 K C 0.106 176.701 176.600 -0.009 0.000 1.071 338 K CA -0.147 56.130 56.287 -0.017 0.000 0.999 338 K CB 0.952 33.445 32.500 -0.012 0.000 1.244 338 K HN 0.725 nan 8.250 nan 0.000 0.594 339 T N -2.921 111.643 114.554 0.016 0.000 3.148 339 T HA -0.020 4.330 4.350 0.000 0.000 0.253 339 T C 1.841 176.584 174.700 0.072 0.000 1.134 339 T CA 0.686 62.813 62.100 0.046 0.000 1.051 339 T CB 0.132 69.037 68.868 0.062 0.000 0.959 339 T HN 0.409 nan 8.240 nan 0.000 0.525 340 G N 1.967 110.802 108.800 0.058 0.000 2.574 340 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 340 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 340 G C 1.812 176.785 174.900 0.122 0.000 1.173 340 G CA 0.998 46.144 45.100 0.077 0.000 0.772 340 G HN 0.748 nan 8.290 nan 0.000 0.585 341 A N -0.181 122.696 122.820 0.096 0.000 1.929 341 A HA 0.232 4.552 4.320 0.000 0.000 0.216 341 A C 2.343 180.066 177.584 0.231 0.000 1.176 341 A CA 1.569 53.683 52.037 0.129 0.000 0.628 341 A CB -0.333 18.699 19.000 0.053 0.000 0.816 341 A HN 0.444 nan 8.150 nan 0.000 0.444 342 L N 0.155 121.483 121.223 0.176 0.000 2.056 342 L HA -0.134 4.206 4.340 0.000 0.000 0.207 342 L C 1.550 178.579 176.870 0.264 0.000 1.078 342 L CA 2.322 57.292 54.840 0.216 0.000 0.749 342 L CB -0.614 41.548 42.059 0.171 0.000 0.901 342 L HN 0.317 nan 8.230 nan 0.000 0.433 343 D N -0.916 119.607 120.400 0.205 0.000 2.117 343 D HA -0.247 4.393 4.640 0.000 0.000 0.197 343 D C 2.044 178.450 176.300 0.177 0.000 0.987 343 D CA 1.568 55.666 54.000 0.163 0.000 0.829 343 D CB -0.360 40.516 40.800 0.126 0.000 0.961 343 D HN 0.419 nan 8.370 nan 0.000 0.460 344 F N 0.701 120.708 119.950 0.096 0.000 2.126 344 F HA -0.224 4.303 4.527 0.000 0.000 0.299 344 F C 2.124 177.988 175.800 0.105 0.000 1.096 344 F CA 1.083 59.134 58.000 0.084 0.000 1.255 344 F CB -0.324 38.727 39.000 0.084 0.000 0.997 344 F HN -0.111 nan 8.300 nan 0.000 0.479 345 F N 1.495 121.560 119.950 0.190 0.000 2.095 345 F HA -0.183 4.344 4.527 0.000 0.000 0.298 345 F C 2.263 178.041 175.800 -0.037 0.000 1.104 345 F CA 2.113 60.163 58.000 0.082 0.000 1.232 345 F CB -0.678 38.395 39.000 0.121 0.000 0.987 345 F HN -0.147 nan 8.300 nan 0.000 0.475 346 K N 0.048 120.419 120.400 -0.047 0.000 2.057 346 K HA -0.173 4.147 4.320 0.000 0.000 0.207 346 K C 2.267 178.731 176.600 -0.227 0.000 1.049 346 K CA 1.667 57.859 56.287 -0.158 0.000 0.931 346 K CB -0.502 32.012 32.500 0.024 0.000 0.714 346 K HN 0.419 nan 8.250 nan 0.000 0.440 347 S N 0.862 116.439 115.700 -0.206 0.000 2.507 347 S HA -0.033 4.437 4.470 0.000 0.000 0.235 347 S C 1.772 176.187 174.600 -0.309 0.000 0.988 347 S CA 0.595 58.661 58.200 -0.223 0.000 0.944 347 S CB -0.311 62.770 63.200 -0.197 0.000 0.762 347 S HN 0.209 nan 8.310 nan 0.000 0.526 348 L N 0.606 121.581 121.223 -0.414 0.000 2.313 348 L HA 0.088 4.428 4.340 0.000 0.000 0.214 348 L C 0.475 177.177 176.870 -0.280 0.000 1.119 348 L CA 0.155 54.766 54.840 -0.382 0.000 0.809 348 L CB -0.797 41.013 42.059 -0.416 0.000 0.933 348 L HN 0.255 nan 8.230 nan 0.000 0.449 349 N N -0.034 118.494 118.700 -0.287 0.000 2.716 349 N HA -0.237 4.503 4.740 0.000 0.000 0.250 349 N C 0.897 176.292 175.510 -0.191 0.000 1.033 349 N CA 0.852 53.775 53.050 -0.211 0.000 0.727 349 N CB -0.759 37.643 38.487 -0.142 0.000 0.950 349 N HN 0.427 nan 8.380 nan 0.000 0.541 350 A N -0.457 122.210 122.820 -0.255 0.000 2.167 350 A HA 0.426 4.746 4.320 0.000 0.000 0.214 350 A C 1.499 179.019 177.584 -0.106 0.000 1.151 350 A CA 1.491 53.428 52.037 -0.166 0.000 0.735 350 A CB -0.211 18.688 19.000 -0.169 0.000 0.802 350 A HN 1.312 nan 8.150 nan 0.000 0.467 351 G N -0.969 107.759 108.800 -0.119 0.000 2.760 351 G HA2 -0.103 3.857 3.960 0.000 0.000 0.246 351 G HA3 -0.103 3.857 3.960 0.000 0.000 0.246 351 G C -0.370 174.525 174.900 -0.008 0.000 1.359 351 G CA 0.005 45.071 45.100 -0.057 0.000 0.861 351 G HN 0.586 nan 8.290 nan 0.000 0.541 352 E N -1.481 118.723 120.200 0.006 0.000 2.322 352 E HA 0.600 4.950 4.350 0.000 0.000 0.257 352 E C 0.556 177.138 176.600 -0.030 0.000 1.155 352 E CA -0.780 55.634 56.400 0.025 0.000 0.936 352 E CB 0.842 30.557 29.700 0.026 0.000 1.130 352 E HN 0.796 nan 8.360 nan 0.000 0.465 353 L N 2.476 123.640 121.223 -0.098 0.000 2.477 353 L HA 0.052 4.392 4.340 0.000 0.000 0.272 353 L C -0.032 176.771 176.870 -0.111 0.000 1.157 353 L CA 0.677 55.396 54.840 -0.202 0.000 0.889 353 L CB 0.071 41.854 42.059 -0.461 0.000 1.158 353 L HN 0.337 nan 8.230 nan 0.000 0.473 354 K N 6.074 126.425 120.400 -0.083 0.000 2.395 354 K HA 0.080 4.400 4.320 0.000 0.000 0.283 354 K C -0.662 175.909 176.600 -0.049 0.000 1.068 354 K CA 0.153 56.410 56.287 -0.051 0.000 1.039 354 K CB 0.156 32.632 32.500 -0.039 0.000 0.924 354 K HN 0.614 nan 8.250 nan 0.000 0.468 355 K N 2.216 122.595 120.400 -0.035 0.000 2.203 355 K HA 0.394 4.714 4.320 0.000 0.000 0.251 355 K C -0.559 176.032 176.600 -0.015 0.000 0.944 355 K CA -0.907 55.365 56.287 -0.025 0.000 0.829 355 K CB 1.867 34.355 32.500 -0.020 0.000 1.125 355 K HN 0.639 nan 8.250 nan 0.000 0.430 356 A N 1.314 124.127 122.820 -0.011 0.000 2.386 356 A HA 0.558 4.878 4.320 0.000 0.000 0.248 356 A C -0.183 177.398 177.584 -0.004 0.000 1.082 356 A CA -0.225 51.808 52.037 -0.007 0.000 0.789 356 A CB 0.378 19.375 19.000 -0.006 0.000 1.025 356 A HN 0.766 nan 8.150 nan 0.000 0.490 357 A N 1.687 124.506 122.820 -0.003 0.000 2.264 357 A HA 0.695 5.015 4.320 0.000 0.000 0.304 357 A C -2.377 175.208 177.584 0.002 0.000 1.100 357 A CA -1.696 50.341 52.037 -0.000 0.000 0.839 357 A CB -0.538 18.462 19.000 0.000 0.000 1.121 357 A HN 0.644 nan 8.150 nan 0.000 0.496 358 P HA 0.187 nan 4.420 nan 0.000 0.256 358 P C -0.126 177.178 177.300 0.006 0.000 1.173 358 P CA 0.731 63.835 63.100 0.006 0.000 0.768 358 P CB 0.150 31.855 31.700 0.007 0.000 0.758 359 A N 3.357 126.182 122.820 0.007 0.000 2.366 359 A HA 0.176 4.496 4.320 0.000 0.000 0.249 359 A C 0.394 177.984 177.584 0.010 0.000 1.084 359 A CA -0.386 51.656 52.037 0.008 0.000 0.794 359 A CB 0.017 19.023 19.000 0.010 0.000 1.034 359 A HN 0.500 nan 8.150 nan 0.000 0.491 360 D N 1.111 121.516 120.400 0.009 0.000 2.472 360 D HA 0.144 4.784 4.640 0.000 0.000 0.248 360 D C -1.542 174.765 176.300 0.012 0.000 1.174 360 D CA -1.179 52.826 54.000 0.009 0.000 0.883 360 D CB 0.707 41.511 40.800 0.007 0.000 1.149 360 D HN 0.112 nan 8.370 nan 0.000 0.488 361 P HA -0.150 nan 4.420 nan 0.000 0.217 361 P C 0.858 178.167 177.300 0.015 0.000 1.148 361 P CA 1.265 64.374 63.100 0.016 0.000 0.828 361 P CB 0.078 31.787 31.700 0.015 0.000 0.783 362 S N -2.351 113.356 115.700 0.011 0.000 2.575 362 S HA 0.376 4.846 4.470 0.000 0.000 0.215 362 S C 1.005 175.609 174.600 0.006 0.000 0.966 362 S CA -0.253 57.951 58.200 0.007 0.000 0.911 362 S CB -0.569 62.633 63.200 0.004 0.000 0.780 362 S HN 0.100 nan 8.310 nan 0.000 0.514 363 A N 2.825 125.650 122.820 0.009 0.000 2.407 363 A HA 0.585 4.905 4.320 0.000 0.000 0.248 363 A C -2.529 175.063 177.584 0.013 0.000 1.082 363 A CA -1.587 50.455 52.037 0.009 0.000 0.785 363 A CB -0.474 18.531 19.000 0.009 0.000 1.020 363 A HN 0.228 nan 8.150 nan 0.000 0.489 364 P HA 0.073 nan 4.420 nan 0.000 0.264 364 P C -0.291 177.029 177.300 0.032 0.000 1.183 364 P CA -0.071 63.041 63.100 0.020 0.000 0.763 364 P CB 0.206 31.916 31.700 0.017 0.000 0.807 365 L N 5.741 126.993 121.223 0.048 0.000 2.499 365 L HA 0.155 4.495 4.340 0.000 0.000 0.273 365 L C -0.064 176.838 176.870 0.053 0.000 1.195 365 L CA 0.347 55.221 54.840 0.058 0.000 0.882 365 L CB 0.048 42.160 42.059 0.090 0.000 1.133 365 L HN 0.216 nan 8.230 nan 0.000 0.483 366 V N 2.198 122.135 119.914 0.038 0.000 3.046 366 V HA 0.540 4.660 4.120 0.000 0.000 0.316 366 V C 0.851 176.959 176.094 0.024 0.000 1.104 366 V CA -0.504 61.814 62.300 0.031 0.000 1.006 366 V CB 1.537 33.373 31.823 0.021 0.000 1.058 366 V HN 0.801 nan 8.190 nan 0.000 0.440 367 N N 1.973 120.685 118.700 0.020 0.000 2.061 367 N HA -0.164 4.576 4.740 0.000 0.000 0.193 367 N C 1.686 177.200 175.510 0.005 0.000 1.030 367 N CA 2.594 55.653 53.050 0.014 0.000 0.856 367 N CB -0.309 38.187 38.487 0.016 0.000 1.023 367 N HN 1.006 nan 8.380 nan 0.000 0.424 368 A N -0.037 122.786 122.820 0.005 0.000 1.940 368 A HA -0.166 4.154 4.320 0.000 0.000 0.219 368 A C 2.154 179.734 177.584 -0.007 0.000 1.176 368 A CA 1.921 53.958 52.037 0.000 0.000 0.631 368 A CB -0.813 18.186 19.000 -0.000 0.000 0.814 368 A HN 0.514 nan 8.150 nan 0.000 0.446 369 E N 0.365 120.564 120.200 -0.002 0.000 2.106 369 E HA -0.114 4.236 4.350 0.000 0.000 0.192 369 E C 1.689 178.277 176.600 -0.020 0.000 0.984 369 E CA 1.309 57.707 56.400 -0.003 0.000 0.806 369 E CB -0.399 29.307 29.700 0.010 0.000 0.750 369 E HN 0.649 nan 8.360 nan 0.000 0.458 370 I N 0.424 120.979 120.570 -0.025 0.000 2.179 370 I HA -0.283 3.887 4.170 0.000 0.000 0.242 370 I C 2.401 178.441 176.117 -0.128 0.000 1.088 370 I CA 1.175 62.432 61.300 -0.071 0.000 1.357 370 I CB -0.513 37.453 38.000 -0.056 0.000 1.051 370 I HN 0.200 nan 8.210 nan 0.000 0.409 371 A N 0.663 123.435 122.820 -0.080 0.000 1.933 371 A HA -0.246 4.074 4.320 0.000 0.000 0.218 371 A C 2.460 180.002 177.584 -0.071 0.000 1.175 371 A CA 1.721 53.714 52.037 -0.074 0.000 0.628 371 A CB -0.662 18.326 19.000 -0.019 0.000 0.814 371 A HN 0.362 nan 8.150 nan 0.000 0.444 372 R N -0.450 120.021 120.500 -0.048 0.000 2.073 372 R HA -0.163 4.177 4.340 0.000 0.000 0.234 372 R C 2.347 178.619 176.300 -0.046 0.000 1.134 372 R CA 1.825 57.905 56.100 -0.033 0.000 0.952 372 R CB -0.322 29.968 30.300 -0.017 0.000 0.850 372 R HN 0.691 nan 8.270 nan 0.000 0.433 373 Q N -0.255 119.508 119.800 -0.062 0.000 2.119 373 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 373 Q C 2.203 178.140 176.000 -0.104 0.000 0.972 373 Q CA 1.499 57.268 55.803 -0.056 0.000 0.847 373 Q CB 0.092 28.812 28.738 -0.030 0.000 0.903 373 Q HN 0.226 nan 8.270 nan 0.000 0.433 374 V N 1.402 121.175 119.914 -0.235 0.000 2.343 374 V HA -0.272 3.848 4.120 0.000 0.000 0.247 374 V C 2.224 178.244 176.094 -0.124 0.000 1.051 374 V CA 2.113 64.226 62.300 -0.311 0.000 1.036 374 V CB -0.560 30.956 31.823 -0.511 0.000 0.654 374 V HN 0.427 nan 8.190 nan 0.000 0.451 375 E N 0.449 120.598 120.200 -0.085 0.000 2.118 375 E HA -0.223 4.127 4.350 0.000 0.000 0.195 375 E C 2.074 178.668 176.600 -0.010 0.000 0.992 375 E CA 1.328 57.710 56.400 -0.031 0.000 0.804 375 E CB -0.227 29.467 29.700 -0.011 0.000 0.741 375 E HN 0.579 nan 8.360 nan 0.000 0.458 376 A N 0.496 123.310 122.820 -0.011 0.000 2.168 376 A HA -0.023 4.297 4.320 0.000 0.000 0.215 376 A C 1.954 179.549 177.584 0.019 0.000 1.152 376 A CA 0.448 52.489 52.037 0.007 0.000 0.716 376 A CB -0.235 18.770 19.000 0.008 0.000 0.794 376 A HN 0.336 nan 8.150 nan 0.000 0.465 377 L N -0.318 120.917 121.223 0.020 0.000 2.509 377 L HA 0.176 4.516 4.340 0.000 0.000 0.222 377 L C 0.058 176.952 176.870 0.040 0.000 1.123 377 L CA -0.148 54.720 54.840 0.047 0.000 0.856 377 L CB -0.071 42.039 42.059 0.085 0.000 0.985 377 L HN 0.299 nan 8.230 nan 0.000 0.456 378 L N 0.907 122.145 121.223 0.024 0.000 2.462 378 L HA 0.104 4.444 4.340 0.000 0.000 0.272 378 L C 0.581 177.464 176.870 0.022 0.000 1.166 378 L CA 0.171 55.024 54.840 0.021 0.000 0.880 378 L CB 0.358 42.425 42.059 0.012 0.000 1.142 378 L HN 0.170 nan 8.230 nan 0.000 0.473 379 T N -0.208 114.360 114.554 0.022 0.000 2.907 379 T HA 0.437 4.787 4.350 0.000 0.000 0.290 379 T C -2.259 172.449 174.700 0.013 0.000 1.066 379 T CA -2.007 60.104 62.100 0.018 0.000 1.012 379 T CB 2.143 71.025 68.868 0.022 0.000 1.184 379 T HN 0.189 nan 8.240 nan 0.000 0.522 380 P HA 0.039 nan 4.420 nan 0.000 0.226 380 P C 0.674 177.979 177.300 0.008 0.000 1.146 380 P CA 0.793 63.894 63.100 0.002 0.000 0.773 380 P CB -0.039 31.659 31.700 -0.004 0.000 0.772 381 N N -1.712 116.997 118.700 0.016 0.000 2.214 381 N HA 0.036 4.776 4.740 0.000 0.000 0.214 381 N C -0.437 175.096 175.510 0.038 0.000 1.132 381 N CA 0.139 53.203 53.050 0.023 0.000 0.856 381 N CB 0.032 38.532 38.487 0.021 0.000 1.020 381 N HN -0.126 nan 8.380 nan 0.000 0.509 382 T N -0.429 114.146 114.554 0.035 0.000 2.902 382 T HA 0.438 4.788 4.350 0.000 0.000 0.283 382 T C -0.470 174.251 174.700 0.036 0.000 1.009 382 T CA -0.218 61.906 62.100 0.041 0.000 1.051 382 T CB 1.639 70.526 68.868 0.032 0.000 0.999 382 T HN -0.088 nan 8.240 nan 0.000 0.474 383 T N 2.128 116.701 114.554 0.031 0.000 2.841 383 T HA 0.478 4.828 4.350 0.000 0.000 0.285 383 T C -0.499 174.147 174.700 -0.091 0.000 0.991 383 T CA -0.520 61.553 62.100 -0.046 0.000 0.966 383 T CB 1.187 69.999 68.868 -0.095 0.000 0.962 383 T HN 0.328 nan 8.240 nan 0.000 0.438 384 V N 5.150 124.995 119.914 -0.114 0.000 2.350 384 V HA 0.380 4.500 4.120 0.000 0.000 0.276 384 V C -0.011 175.987 176.094 -0.159 0.000 1.028 384 V CA -0.923 61.317 62.300 -0.100 0.000 0.860 384 V CB 0.908 32.682 31.823 -0.081 0.000 0.990 384 V HN 0.725 nan 8.190 nan 0.000 0.453 385 I N 4.555 125.045 120.570 -0.133 0.000 2.337 385 I HA 0.489 4.659 4.170 0.000 0.000 0.291 385 I C 0.591 176.728 176.117 0.033 0.000 1.046 385 I CA -0.034 61.209 61.300 -0.096 0.000 1.324 385 I CB 0.988 38.864 38.000 -0.207 0.000 1.409 385 I HN 0.668 nan 8.210 nan 0.000 0.494 386 A N 5.852 128.756 122.820 0.140 0.000 2.267 386 A HA 0.501 4.821 4.320 0.000 0.000 0.315 386 A C 0.039 177.941 177.584 0.530 0.000 1.297 386 A CA -0.598 51.586 52.037 0.245 0.000 0.865 386 A CB 0.652 19.727 19.000 0.126 0.000 1.165 386 A HN 0.658 nan 8.150 nan 0.000 0.513 387 E N 1.838 122.274 120.200 0.395 0.000 2.383 387 E HA 0.310 4.660 4.350 0.000 0.000 0.264 387 E C 0.171 176.858 176.600 0.146 0.000 1.050 387 E CA 0.240 56.864 56.400 0.373 0.000 0.896 387 E CB 0.467 30.287 29.700 0.201 0.000 0.982 387 E HN 0.565 nan 8.360 nan 0.000 0.424 388 T N 2.837 117.359 114.554 -0.052 0.000 2.905 388 T HA 0.454 4.804 4.350 0.000 0.000 0.299 388 T C 0.304 174.620 174.700 -0.639 0.000 1.024 388 T CA 0.910 62.473 62.100 -0.894 0.000 1.151 388 T CB -0.081 68.469 68.868 -0.530 0.000 0.987 388 T HN 0.747 nan 8.240 nan 0.000 0.535 389 G N 2.938 111.256 108.800 -0.804 0.000 2.315 389 G HA2 -0.057 3.903 3.960 0.000 0.000 0.296 389 G HA3 -0.057 3.903 3.960 0.000 0.000 0.296 389 G C 0.187 175.055 174.900 -0.053 0.000 1.289 389 G CA -0.104 44.827 45.100 -0.282 0.000 0.996 389 G HN 0.527 nan 8.290 nan 0.000 0.487 390 D N -0.199 120.249 120.400 0.081 0.000 2.309 390 D HA 0.029 4.669 4.640 0.000 0.000 0.212 390 D C 2.446 178.904 176.300 0.264 0.000 0.968 390 D CA 1.770 55.905 54.000 0.226 0.000 0.882 390 D CB -0.019 40.850 40.800 0.115 0.000 0.918 390 D HN 0.270 nan 8.370 nan 0.000 0.503 391 S N -0.464 115.338 115.700 0.170 0.000 2.419 391 S HA -0.131 4.339 4.470 0.000 0.000 0.233 391 S C 1.386 176.193 174.600 0.345 0.000 1.016 391 S CA 0.357 58.679 58.200 0.203 0.000 0.974 391 S CB -0.216 63.081 63.200 0.161 0.000 0.786 391 S HN 0.448 nan 8.310 nan 0.000 0.492 392 W N 1.375 122.735 121.300 0.100 0.000 2.317 392 W HA -0.084 4.576 4.660 0.000 0.000 0.318 392 W C 1.789 178.249 176.519 -0.099 0.000 1.227 392 W CA 0.581 57.891 57.345 -0.059 0.000 1.269 392 W CB -1.354 27.800 29.460 -0.510 0.000 1.155 392 W HN 0.347 nan 8.180 nan 0.000 0.484 393 F N 0.101 120.241 119.950 0.318 0.000 2.234 393 F HA -0.135 4.392 4.527 0.000 0.000 0.296 393 F C 2.236 178.140 175.800 0.173 0.000 1.089 393 F CA 1.172 59.296 58.000 0.207 0.000 1.343 393 F CB -1.182 37.865 39.000 0.078 0.000 1.040 393 F HN -0.186 nan 8.300 nan 0.000 0.498 394 N N 0.776 119.662 118.700 0.309 0.000 2.069 394 N HA -0.188 4.552 4.740 0.000 0.000 0.191 394 N C 2.070 177.676 175.510 0.160 0.000 1.031 394 N CA 1.576 54.736 53.050 0.184 0.000 0.852 394 N CB -0.759 37.799 38.487 0.118 0.000 1.018 394 N HN 0.288 nan 8.380 nan 0.000 0.423 395 A N 0.839 123.766 122.820 0.179 0.000 1.902 395 A HA -0.187 4.133 4.320 0.000 0.000 0.217 395 A C 2.207 179.890 177.584 0.165 0.000 1.181 395 A CA 1.581 53.694 52.037 0.127 0.000 0.623 395 A CB -0.684 18.367 19.000 0.086 0.000 0.818 395 A HN 0.261 nan 8.150 nan 0.000 0.443 396 Q N -0.046 119.906 119.800 0.253 0.000 2.234 396 Q HA -0.100 4.240 4.340 0.000 0.000 0.206 396 Q C 1.861 178.060 176.000 0.332 0.000 0.980 396 Q CA 1.647 57.608 55.803 0.263 0.000 0.869 396 Q CB -0.256 28.640 28.738 0.264 0.000 0.912 396 Q HN 0.677 nan 8.270 nan 0.000 0.436 397 R N -1.148 119.519 120.500 0.278 0.000 2.310 397 R HA 0.210 4.551 4.340 0.000 0.000 0.202 397 R C -0.027 176.388 176.300 0.192 0.000 0.933 397 R CA -0.062 56.179 56.100 0.236 0.000 1.054 397 R CB 0.189 30.565 30.300 0.128 0.000 0.985 397 R HN 0.267 nan 8.270 nan 0.000 0.489 398 M N 1.271 120.976 119.600 0.176 0.000 2.180 398 M HA 0.147 4.627 4.480 0.000 0.000 0.358 398 M C -0.029 176.362 176.300 0.152 0.000 1.233 398 M CA -0.478 54.894 55.300 0.119 0.000 1.114 398 M CB 1.281 33.918 32.600 0.061 0.000 1.594 398 M HN -0.329 nan 8.290 nan 0.000 0.467 399 K N 3.859 124.339 120.400 0.133 0.000 2.339 399 K HA 0.373 4.693 4.320 0.000 0.000 0.286 399 K C -1.367 175.282 176.600 0.081 0.000 1.050 399 K CA 0.084 56.455 56.287 0.141 0.000 0.956 399 K CB 0.321 32.898 32.500 0.129 0.000 0.990 399 K HN 0.614 nan 8.250 nan 0.000 0.475 400 L N 7.798 129.058 121.223 0.062 0.000 2.264 400 L HA 0.415 4.755 4.340 0.000 0.000 0.289 400 L C -1.985 174.888 176.870 0.005 0.000 1.044 400 L CA -2.469 52.381 54.840 0.016 0.000 0.807 400 L CB 1.297 43.346 42.059 -0.016 0.000 1.192 400 L HN 0.576 nan 8.230 nan 0.000 0.425 401 P HA 0.017 nan 4.420 nan 0.000 0.267 401 P C -0.714 176.572 177.300 -0.024 0.000 1.200 401 P CA -0.315 62.783 63.100 -0.003 0.000 0.772 401 P CB 0.336 32.037 31.700 0.002 0.000 0.855 402 N N 1.548 120.226 118.700 -0.037 0.000 2.411 402 N HA 0.225 4.965 4.740 0.000 0.000 0.261 402 N C 1.599 177.083 175.510 -0.043 0.000 1.248 402 N CA 1.802 54.816 53.050 -0.059 0.000 0.885 402 N CB -0.291 38.153 38.487 -0.071 0.000 1.062 402 N HN 0.743 nan 8.380 nan 0.000 0.471 403 G N 0.179 108.953 108.800 -0.045 0.000 2.259 403 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 403 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 403 G C 0.242 175.137 174.900 -0.009 0.000 1.001 403 G CA 0.076 45.161 45.100 -0.026 0.000 0.627 403 G HN 0.898 nan 8.290 nan 0.000 0.501 404 A N 1.108 123.922 122.820 -0.011 0.000 2.462 404 A HA 0.684 5.004 4.320 0.000 0.000 0.243 404 A C 0.606 178.187 177.584 -0.005 0.000 1.076 404 A CA 0.350 52.386 52.037 -0.003 0.000 0.773 404 A CB 0.326 19.322 19.000 -0.007 0.000 1.010 404 A HN 0.420 nan 8.150 nan 0.000 0.493 405 R N 0.955 121.455 120.500 -0.001 0.000 2.711 405 R HA 0.636 4.976 4.340 0.000 0.000 0.284 405 R C -1.369 174.887 176.300 -0.074 0.000 0.968 405 R CA -0.726 55.372 56.100 -0.003 0.000 0.924 405 R CB 1.610 31.940 30.300 0.049 0.000 1.162 405 R HN 0.422 nan 8.270 nan 0.000 0.465 406 V N 2.267 122.111 119.914 -0.117 0.000 2.540 406 V HA 0.314 4.434 4.120 0.000 0.000 0.302 406 V C -0.276 175.660 176.094 -0.263 0.000 1.035 406 V CA -0.835 61.309 62.300 -0.260 0.000 0.873 406 V CB 2.246 33.828 31.823 -0.401 0.000 0.992 406 V HN 0.531 nan 8.190 nan 0.000 0.428 407 E N 3.338 123.386 120.200 -0.254 0.000 2.133 407 E HA 0.496 4.846 4.350 0.000 0.000 0.274 407 E C -1.596 174.979 176.600 -0.042 0.000 0.930 407 E CA -0.401 55.957 56.400 -0.069 0.000 0.770 407 E CB 2.081 31.804 29.700 0.038 0.000 1.104 407 E HN 0.529 nan 8.360 nan 0.000 0.403 408 Y N 0.431 120.707 120.300 -0.040 0.000 2.485 408 Y HA 0.226 4.776 4.550 -0.000 0.000 0.345 408 Y C 0.697 176.342 175.900 -0.425 0.000 0.998 408 Y CA -0.886 57.086 58.100 -0.213 0.000 1.059 408 Y CB 1.766 39.980 38.460 -0.410 0.000 1.234 408 Y HN 0.408 nan 8.280 nan 0.000 0.461 409 E N 3.519 123.443 120.200 -0.459 0.000 3.659 409 E HA 0.203 4.553 4.350 0.000 0.000 0.217 409 E C 0.100 176.591 176.600 -0.182 0.000 1.141 409 E CA 0.059 56.086 56.400 -0.622 0.000 1.340 409 E CB 0.143 28.936 29.700 -1.512 0.000 1.295 409 E HN 0.823 nan 8.360 nan 0.000 0.434 410 M N 0.453 119.898 119.600 -0.258 0.000 2.595 410 M HA -0.061 4.419 4.480 0.000 0.000 0.248 410 M C 1.854 178.100 176.300 -0.091 0.000 1.119 410 M CA 0.740 55.838 55.300 -0.335 0.000 1.079 410 M CB 0.302 32.345 32.600 -0.929 0.000 1.472 410 M HN 0.153 nan 8.290 nan 0.000 0.501 411 Q N 0.069 119.848 119.800 -0.036 0.000 2.134 411 Q HA -0.086 4.254 4.340 0.000 0.000 0.195 411 Q C 1.787 177.898 176.000 0.185 0.000 0.958 411 Q CA 1.447 57.279 55.803 0.047 0.000 0.840 411 Q CB -0.249 28.521 28.738 0.053 0.000 0.918 411 Q HN 0.619 nan 8.270 nan 0.000 0.467 412 W N 0.516 121.806 121.300 -0.018 0.000 2.444 412 W HA 0.090 4.750 4.660 0.000 0.000 0.308 412 W C 0.540 177.107 176.519 0.079 0.000 1.183 412 W CA 1.465 58.836 57.345 0.044 0.000 1.340 412 W CB -0.019 29.484 29.460 0.073 0.000 1.138 412 W HN 0.375 nan 8.180 nan 0.000 0.510 413 G N 1.355 110.286 108.800 0.220 0.000 2.314 413 G HA2 -0.324 3.636 3.960 0.000 0.000 0.292 413 G HA3 -0.324 3.636 3.960 0.000 0.000 0.292 413 G C -0.216 174.717 174.900 0.055 0.000 1.059 413 G CA 0.358 45.572 45.100 0.191 0.000 0.982 413 G HN 0.574 nan 8.290 nan 0.000 0.505 414 H N 0.915 120.000 119.070 0.026 0.000 2.846 414 H HA 0.379 4.935 4.556 0.000 0.000 0.278 414 H C 1.416 176.783 175.328 0.064 0.000 1.117 414 H CA -0.222 55.851 56.048 0.043 0.000 1.406 414 H CB 0.020 29.971 29.762 0.316 0.000 1.445 414 H HN 0.642 nan 8.280 nan 0.000 0.469 415 I N 1.282 121.849 120.570 -0.005 0.000 2.752 415 I HA 0.215 4.385 4.170 0.000 0.000 0.287 415 I C 1.188 177.439 176.117 0.223 0.000 1.188 415 I CA 0.874 62.210 61.300 0.060 0.000 1.427 415 I CB 0.571 38.514 38.000 -0.095 0.000 1.365 415 I HN 0.742 nan 8.210 nan 0.000 0.585 416 G N 4.701 113.617 108.800 0.194 0.000 2.234 416 G HA2 -0.338 3.622 3.960 0.000 0.000 0.235 416 G HA3 -0.338 3.622 3.960 0.000 0.000 0.235 416 G C 0.393 175.329 174.900 0.060 0.000 0.997 416 G CA 0.478 45.674 45.100 0.160 0.000 0.623 416 G HN 1.103 nan 8.290 nan 0.000 0.514 417 W N 2.833 124.005 121.300 -0.213 0.000 2.321 417 W HA -0.157 4.503 4.660 -0.000 0.000 0.306 417 W C 2.562 178.923 176.519 -0.263 0.000 1.217 417 W CA 3.586 60.532 57.345 -0.664 0.000 1.257 417 W CB -0.594 28.483 29.460 -0.638 0.000 1.145 417 W HN 0.716 nan 8.180 nan 0.000 0.509 418 S N 0.032 115.507 115.700 -0.375 0.000 2.400 418 S HA -0.239 4.231 4.470 0.000 0.000 0.232 418 S C 1.702 176.012 174.600 -0.483 0.000 1.025 418 S CA 1.797 59.554 58.200 -0.739 0.000 0.993 418 S CB -1.136 61.969 63.200 -0.159 0.000 0.808 418 S HN 0.215 nan 8.310 nan 0.000 0.478 419 V N 3.526 123.304 119.914 -0.227 0.000 2.255 419 V HA -0.026 4.094 4.120 0.000 0.000 0.243 419 V C -0.149 175.895 176.094 -0.085 0.000 1.038 419 V CA 1.766 64.012 62.300 -0.090 0.000 1.008 419 V CB -1.553 30.243 31.823 -0.044 0.000 0.645 419 V HN 0.431 nan 8.190 nan 0.000 0.449 420 P HA -0.070 nan 4.420 nan 0.000 0.220 420 P C 1.575 178.854 177.300 -0.036 0.000 1.152 420 P CA 1.875 64.989 63.100 0.022 0.000 0.812 420 P CB 0.014 31.765 31.700 0.085 0.000 0.792 421 A N 0.979 123.611 122.820 -0.313 0.000 1.902 421 A HA -0.064 4.256 4.320 0.000 0.000 0.217 421 A C 2.507 179.962 177.584 -0.215 0.000 1.181 421 A CA 2.179 53.987 52.037 -0.383 0.000 0.623 421 A CB -1.557 16.796 19.000 -1.079 0.000 0.818 421 A HN 0.217 nan 8.150 nan 0.000 0.443 422 A N -1.087 121.586 122.820 -0.245 0.000 1.933 422 A HA -0.019 4.301 4.320 0.000 0.000 0.218 422 A C 2.011 179.645 177.584 0.084 0.000 1.175 422 A CA 1.628 53.619 52.037 -0.077 0.000 0.628 422 A CB -0.708 18.246 19.000 -0.078 0.000 0.814 422 A HN 0.724 nan 8.150 nan 0.000 0.444 423 F N 1.283 121.209 119.950 -0.039 0.000 2.046 423 F HA -0.056 4.471 4.527 0.000 0.000 0.297 423 F C 2.298 178.136 175.800 0.064 0.000 1.123 423 F CA 1.705 59.712 58.000 0.013 0.000 1.199 423 F CB -0.973 38.021 39.000 -0.009 0.000 0.972 423 F HN 0.174 nan 8.300 nan 0.000 0.474 424 G N -1.328 107.330 108.800 -0.236 0.000 2.440 424 G HA2 -0.359 3.601 3.960 0.000 0.000 0.218 424 G HA3 -0.359 3.601 3.960 0.000 0.000 0.218 424 G C 1.664 176.557 174.900 -0.011 0.000 1.154 424 G CA 0.982 45.921 45.100 -0.268 0.000 0.767 424 G HN 0.528 nan 8.290 nan 0.000 0.552 425 Y N 1.881 122.122 120.300 -0.099 0.000 2.145 425 Y HA -0.036 4.514 4.550 0.000 0.000 0.286 425 Y C 2.971 178.807 175.900 -0.107 0.000 1.145 425 Y CA 1.646 59.692 58.100 -0.089 0.000 1.148 425 Y CB -0.288 38.131 38.460 -0.068 0.000 0.981 425 Y HN 0.248 nan 8.280 nan 0.000 0.507 426 A N -0.979 121.893 122.820 0.086 0.000 1.972 426 A HA -0.140 4.180 4.320 0.000 0.000 0.219 426 A C 2.288 179.806 177.584 -0.111 0.000 1.169 426 A CA 1.776 53.826 52.037 0.022 0.000 0.635 426 A CB -1.219 17.826 19.000 0.075 0.000 0.810 426 A HN 0.348 nan 8.150 nan 0.000 0.446 427 V N -0.467 119.324 119.914 -0.205 0.000 2.427 427 V HA -0.137 3.983 4.120 0.000 0.000 0.248 427 V C 2.625 178.560 176.094 -0.265 0.000 1.051 427 V CA 1.916 64.045 62.300 -0.285 0.000 1.048 427 V CB -0.939 30.631 31.823 -0.421 0.000 0.666 427 V HN 0.618 nan 8.190 nan 0.000 0.456 428 G N -1.030 107.598 108.800 -0.288 0.000 2.603 428 G HA2 0.262 4.222 3.960 0.000 0.000 0.214 428 G HA3 0.262 4.222 3.960 0.000 0.000 0.214 428 G C 0.715 175.358 174.900 -0.428 0.000 1.140 428 G CA 0.748 45.531 45.100 -0.529 0.000 0.800 428 G HN 0.636 nan 8.290 nan 0.000 0.533 429 A N 0.445 123.028 122.820 -0.394 0.000 3.355 429 A HA 0.638 4.958 4.320 0.000 0.000 0.290 429 A C -1.625 175.876 177.584 -0.138 0.000 0.973 429 A CA -0.727 51.126 52.037 -0.308 0.000 0.933 429 A CB 0.981 19.680 19.000 -0.501 0.000 1.138 429 A HN 0.044 nan 8.150 nan 0.000 0.490 430 P HA -0.153 nan 4.420 nan 0.000 0.223 430 P C 1.276 178.571 177.300 -0.007 0.000 1.151 430 P CA 1.154 64.237 63.100 -0.029 0.000 0.787 430 P CB 0.251 31.942 31.700 -0.014 0.000 0.788 431 E N 0.481 120.669 120.200 -0.019 0.000 2.418 431 E HA -0.085 4.265 4.350 0.000 0.000 0.197 431 E C 0.475 177.081 176.600 0.010 0.000 1.026 431 E CA 0.491 56.888 56.400 -0.005 0.000 0.862 431 E CB -0.220 29.470 29.700 -0.016 0.000 0.799 431 E HN 0.275 nan 8.360 nan 0.000 0.518 432 R N 0.918 121.431 120.500 0.022 0.000 2.573 432 R HA 0.359 4.699 4.340 0.000 0.000 0.272 432 R C 0.265 176.604 176.300 0.064 0.000 1.009 432 R CA -0.794 55.338 56.100 0.053 0.000 1.059 432 R CB 1.208 31.567 30.300 0.098 0.000 1.112 432 R HN -0.029 nan 8.270 nan 0.000 0.517 433 R N 2.242 122.779 120.500 0.063 0.000 2.291 433 R HA 0.056 4.396 4.340 0.000 0.000 0.333 433 R C -0.931 175.416 176.300 0.077 0.000 1.082 433 R CA -0.111 56.027 56.100 0.064 0.000 0.948 433 R CB 0.193 30.527 30.300 0.056 0.000 1.009 433 R HN 0.484 nan 8.270 nan 0.000 0.460 434 N N 6.095 124.845 118.700 0.082 0.000 2.437 434 N HA 0.266 5.006 4.740 0.000 0.000 0.259 434 N C -0.678 174.868 175.510 0.060 0.000 0.983 434 N CA -0.234 52.866 53.050 0.083 0.000 0.937 434 N CB 1.487 40.049 38.487 0.124 0.000 1.122 434 N HN 0.525 nan 8.380 nan 0.000 0.499 435 I N 2.166 122.768 120.570 0.053 0.000 2.404 435 I HA 0.306 4.476 4.170 0.000 0.000 0.293 435 I C -0.539 175.622 176.117 0.072 0.000 0.992 435 I CA -0.994 60.368 61.300 0.103 0.000 1.149 435 I CB 1.900 40.010 38.000 0.183 0.000 1.315 435 I HN 0.169 nan 8.210 nan 0.000 0.446 436 L N 7.563 128.843 121.223 0.096 0.000 2.325 436 L HA 0.552 4.892 4.340 0.000 0.000 0.281 436 L C -1.014 175.952 176.870 0.160 0.000 1.004 436 L CA -0.207 54.676 54.840 0.072 0.000 0.823 436 L CB 1.410 43.488 42.059 0.031 0.000 1.236 436 L HN 0.565 nan 8.230 nan 0.000 0.415 437 M N 6.143 125.829 119.600 0.143 0.000 2.044 437 M HA 0.481 4.961 4.480 0.000 0.000 0.333 437 M C -1.403 174.968 176.300 0.118 0.000 1.004 437 M CA -0.497 54.897 55.300 0.156 0.000 0.954 437 M CB 1.521 34.192 32.600 0.117 0.000 1.468 437 M HN 0.520 nan 8.290 nan 0.000 0.414 438 V N 3.828 123.793 119.914 0.085 0.000 2.760 438 V HA 0.836 4.956 4.120 0.000 0.000 0.309 438 V C -0.039 176.053 176.094 -0.002 0.000 1.077 438 V CA -0.333 62.009 62.300 0.070 0.000 0.910 438 V CB 2.158 34.052 31.823 0.119 0.000 1.008 438 V HN 0.871 nan 8.190 nan 0.000 0.424 439 G N 3.559 112.360 108.800 0.002 0.000 2.539 439 G HA2 0.295 4.255 3.960 0.000 0.000 0.258 439 G HA3 0.295 4.255 3.960 0.000 0.000 0.258 439 G C 0.648 175.488 174.900 -0.101 0.000 1.202 439 G CA 0.417 45.487 45.100 -0.049 0.000 0.851 439 G HN 0.954 nan 8.290 nan 0.000 0.556 440 D N 0.486 120.763 120.400 -0.206 0.000 2.117 440 D HA -0.120 4.520 4.640 0.000 0.000 0.197 440 D C 2.234 178.478 176.300 -0.095 0.000 0.987 440 D CA 1.470 55.254 54.000 -0.360 0.000 0.829 440 D CB -1.021 39.549 40.800 -0.384 0.000 0.961 440 D HN 0.480 nan 8.370 nan 0.000 0.460 441 G N 0.180 109.009 108.800 0.048 0.000 2.440 441 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 441 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 441 G C 1.873 176.880 174.900 0.179 0.000 1.154 441 G CA 1.251 46.496 45.100 0.242 0.000 0.767 441 G HN 0.380 nan 8.290 nan 0.000 0.552 442 S N 0.158 115.920 115.700 0.103 0.000 2.371 442 S HA -0.037 4.433 4.470 0.000 0.000 0.224 442 S C 1.878 176.548 174.600 0.117 0.000 1.029 442 S CA 0.771 59.021 58.200 0.084 0.000 0.978 442 S CB -0.378 62.865 63.200 0.072 0.000 0.833 442 S HN 0.364 nan 8.310 nan 0.000 0.466 443 F N 2.674 122.598 119.950 -0.042 0.000 2.154 443 F HA -0.207 4.320 4.527 0.000 0.000 0.301 443 F C 2.303 178.114 175.800 0.018 0.000 1.087 443 F CA 1.532 59.517 58.000 -0.026 0.000 1.274 443 F CB -0.374 38.552 39.000 -0.123 0.000 1.009 443 F HN 0.229 nan 8.300 nan 0.000 0.485 444 Q N -0.405 119.382 119.800 -0.022 0.000 2.291 444 Q HA -0.160 4.180 4.340 0.000 0.000 0.205 444 Q C 2.071 178.121 176.000 0.083 0.000 0.970 444 Q CA 1.140 56.870 55.803 -0.122 0.000 0.876 444 Q CB -0.201 28.373 28.738 -0.273 0.000 0.935 444 Q HN 0.419 nan 8.270 nan 0.000 0.455 445 L N -0.257 121.012 121.223 0.077 0.000 2.156 445 L HA -0.099 4.242 4.340 0.000 0.000 0.208 445 L C 1.969 178.911 176.870 0.119 0.000 1.095 445 L CA 1.723 56.644 54.840 0.135 0.000 0.770 445 L CB -0.004 42.160 42.059 0.174 0.000 0.914 445 L HN 0.273 nan 8.230 nan 0.000 0.439 446 T N -5.996 108.571 114.554 0.022 0.000 3.262 446 T HA 0.358 4.708 4.350 0.000 0.000 0.300 446 T C 1.517 176.125 174.700 -0.153 0.000 0.959 446 T CA 0.219 62.314 62.100 -0.009 0.000 0.936 446 T CB 0.090 68.976 68.868 0.031 0.000 1.169 446 T HN 0.049 nan 8.240 nan 0.000 0.532 447 A N 2.943 125.591 122.820 -0.285 0.000 1.971 447 A HA -0.268 4.052 4.320 0.000 0.000 0.222 447 A C 2.480 179.966 177.584 -0.163 0.000 1.182 447 A CA 2.138 53.842 52.037 -0.554 0.000 0.649 447 A CB -0.715 18.082 19.000 -0.339 0.000 0.818 447 A HN 0.729 nan 8.150 nan 0.000 0.458 448 Q N -0.662 119.096 119.800 -0.070 0.000 2.297 448 Q HA -0.217 4.123 4.340 0.000 0.000 0.208 448 Q C 1.312 177.031 176.000 -0.468 0.000 0.981 448 Q CA 1.812 57.462 55.803 -0.256 0.000 0.876 448 Q CB -0.494 28.176 28.738 -0.114 0.000 0.921 448 Q HN 0.599 nan 8.270 nan 0.000 0.446 449 E N 0.887 120.902 120.200 -0.308 0.000 2.409 449 E HA -0.033 4.317 4.350 0.000 0.000 0.198 449 E C 1.850 178.203 176.600 -0.412 0.000 1.024 449 E CA 0.364 56.545 56.400 -0.365 0.000 0.861 449 E CB -0.100 29.458 29.700 -0.236 0.000 0.788 449 E HN 0.234 nan 8.360 nan 0.000 0.521 450 V N 0.221 119.955 119.914 -0.301 0.000 2.490 450 V HA -0.272 3.848 4.120 0.000 0.000 0.250 450 V C 2.209 178.131 176.094 -0.288 0.000 1.061 450 V CA 1.603 63.823 62.300 -0.133 0.000 1.064 450 V CB -0.750 31.202 31.823 0.215 0.000 0.670 450 V HN 0.382 nan 8.190 nan 0.000 0.461 451 A N -0.620 121.754 122.820 -0.743 0.000 1.978 451 A HA -0.234 4.086 4.320 0.000 0.000 0.220 451 A C 2.180 179.570 177.584 -0.324 0.000 1.170 451 A CA 1.505 53.182 52.037 -0.599 0.000 0.636 451 A CB -0.330 18.161 19.000 -0.850 0.000 0.810 451 A HN 0.546 nan 8.150 nan 0.000 0.448 452 Q N -0.721 118.806 119.800 -0.455 0.000 2.172 452 Q HA -0.022 4.318 4.340 0.000 0.000 0.200 452 Q C 2.102 177.947 176.000 -0.259 0.000 0.964 452 Q CA 1.257 56.766 55.803 -0.491 0.000 0.855 452 Q CB -0.478 27.609 28.738 -1.085 0.000 0.918 452 Q HN 0.791 nan 8.270 nan 0.000 0.444 453 M N -0.064 119.423 119.600 -0.187 0.000 2.117 453 M HA -0.153 4.327 4.480 0.000 0.000 0.262 453 M C 2.250 178.613 176.300 0.105 0.000 1.065 453 M CA 1.191 56.574 55.300 0.138 0.000 1.114 453 M CB -0.395 32.292 32.600 0.146 0.000 1.361 453 M HN -0.035 nan 8.290 nan 0.000 0.408 454 V N 0.155 120.098 119.914 0.049 0.000 2.295 454 V HA -0.283 3.837 4.120 0.000 0.000 0.246 454 V C 2.401 178.536 176.094 0.070 0.000 1.049 454 V CA 1.993 64.337 62.300 0.074 0.000 1.024 454 V CB -0.880 31.000 31.823 0.094 0.000 0.648 454 V HN 0.473 nan 8.190 nan 0.000 0.447 455 R N 0.015 120.542 120.500 0.044 0.000 2.083 455 R HA -0.123 4.217 4.340 0.000 0.000 0.237 455 R C 1.843 178.199 176.300 0.093 0.000 1.137 455 R CA 1.632 57.767 56.100 0.059 0.000 0.951 455 R CB -0.177 30.143 30.300 0.035 0.000 0.851 455 R HN 0.460 nan 8.270 nan 0.000 0.434 456 L N 0.974 122.278 121.223 0.135 0.000 2.629 456 L HA 0.166 4.506 4.340 0.000 0.000 0.230 456 L C -0.077 176.863 176.870 0.117 0.000 1.151 456 L CA 0.069 54.995 54.840 0.144 0.000 0.924 456 L CB 0.021 42.207 42.059 0.212 0.000 1.137 456 L HN 0.178 nan 8.230 nan 0.000 0.457 457 K N 0.878 121.340 120.400 0.104 0.000 3.148 457 K HA -0.170 4.150 4.320 0.000 0.000 0.267 457 K C -0.507 176.145 176.600 0.086 0.000 0.996 457 K CA 0.479 56.816 56.287 0.085 0.000 0.737 457 K CB -1.753 30.788 32.500 0.067 0.000 1.308 457 K HN 0.325 nan 8.250 nan 0.000 0.470 458 L N 0.647 121.936 121.223 0.109 0.000 2.276 458 L HA 0.262 4.602 4.340 0.000 0.000 0.286 458 L C -1.609 175.313 176.870 0.088 0.000 1.061 458 L CA -2.258 52.643 54.840 0.102 0.000 0.807 458 L CB 0.747 42.891 42.059 0.142 0.000 1.177 458 L HN -0.122 nan 8.230 nan 0.000 0.429 459 P HA 0.060 nan 4.420 nan 0.000 0.235 459 P C -0.162 177.166 177.300 0.048 0.000 1.725 459 P CA -0.087 63.045 63.100 0.052 0.000 0.894 459 P CB -0.124 31.602 31.700 0.043 0.000 1.704 460 V N 1.463 121.413 119.914 0.061 0.000 2.585 460 V HA 0.027 4.147 4.120 0.000 0.000 0.296 460 V C 0.984 177.080 176.094 0.005 0.000 1.035 460 V CA 0.087 62.418 62.300 0.051 0.000 1.084 460 V CB 0.300 32.171 31.823 0.079 0.000 0.953 460 V HN 0.173 nan 8.190 nan 0.000 0.483 461 I N 6.253 126.806 120.570 -0.028 0.000 2.304 461 I HA 0.381 4.551 4.170 0.000 0.000 0.291 461 I C -0.169 175.816 176.117 -0.221 0.000 1.018 461 I CA -0.033 61.177 61.300 -0.149 0.000 1.260 461 I CB 0.777 38.686 38.000 -0.152 0.000 1.390 461 I HN 0.439 nan 8.210 nan 0.000 0.475 462 I N 6.575 126.974 120.570 -0.284 0.000 2.330 462 I HA 0.268 4.438 4.170 0.000 0.000 0.289 462 I C -0.729 175.147 176.117 -0.401 0.000 1.001 462 I CA -0.443 60.726 61.300 -0.218 0.000 1.193 462 I CB 0.823 38.771 38.000 -0.088 0.000 1.345 462 I HN 0.363 nan 8.210 nan 0.000 0.461 463 F N 6.743 126.666 119.950 -0.045 0.000 2.335 463 F HA 0.236 4.763 4.527 -0.000 0.000 0.365 463 F C 0.175 175.897 175.800 -0.130 0.000 1.122 463 F CA -0.517 57.441 58.000 -0.069 0.000 1.151 463 F CB 0.661 39.640 39.000 -0.036 0.000 1.282 463 F HN 0.310 nan 8.300 nan 0.000 0.513 464 L N 6.149 127.303 121.223 -0.115 0.000 2.295 464 L HA 0.331 4.671 4.340 0.000 0.000 0.288 464 L C -0.503 176.217 176.870 -0.250 0.000 1.079 464 L CA -0.283 54.375 54.840 -0.303 0.000 0.830 464 L CB 0.097 41.816 42.059 -0.567 0.000 1.200 464 L HN 0.342 nan 8.230 nan 0.000 0.438 465 I N 5.355 125.813 120.570 -0.186 0.000 2.294 465 I HA 0.101 4.271 4.170 0.000 0.000 0.295 465 I C 0.580 176.564 176.117 -0.221 0.000 1.098 465 I CA -0.116 61.099 61.300 -0.143 0.000 1.277 465 I CB -0.155 37.811 38.000 -0.057 0.000 1.434 465 I HN 0.523 nan 8.210 nan 0.000 0.498 466 N N 6.465 124.991 118.700 -0.289 0.000 2.719 466 N HA 0.067 4.807 4.740 0.000 0.000 0.243 466 N C 0.428 175.873 175.510 -0.108 0.000 1.104 466 N CA -0.193 52.686 53.050 -0.284 0.000 0.981 466 N CB 0.154 38.342 38.487 -0.499 0.000 1.290 466 N HN 0.443 nan 8.380 nan 0.000 0.513 467 N N 2.678 121.368 118.700 -0.017 0.000 2.238 467 N HA -0.009 4.731 4.740 0.000 0.000 0.222 467 N C -0.436 175.162 175.510 0.148 0.000 1.133 467 N CA -0.572 52.515 53.050 0.062 0.000 0.854 467 N CB -0.567 37.941 38.487 0.036 0.000 1.041 467 N HN 0.322 nan 8.380 nan 0.000 0.510 468 Y N 0.498 120.785 120.300 -0.022 0.000 3.057 468 Y HA -0.027 4.523 4.550 0.000 0.000 0.192 468 Y C 0.347 176.215 175.900 -0.053 0.000 1.448 468 Y CA 0.752 58.845 58.100 -0.011 0.000 1.065 468 Y CB -1.303 37.169 38.460 0.021 0.000 1.369 468 Y HN 0.692 nan 8.280 nan 0.000 0.460 469 G N 0.398 109.132 108.800 -0.111 0.000 2.357 469 G HA2 0.184 4.144 3.960 0.000 0.000 0.289 469 G HA3 0.184 4.144 3.960 0.000 0.000 0.289 469 G C -1.465 173.397 174.900 -0.065 0.000 1.302 469 G CA -0.644 44.293 45.100 -0.271 0.000 0.936 469 G HN 0.255 nan 8.290 nan 0.000 0.513 470 Y N 2.011 122.272 120.300 -0.065 0.000 2.636 470 Y HA 0.410 4.960 4.550 0.000 0.000 0.334 470 Y C 2.192 178.075 175.900 -0.028 0.000 1.286 470 Y CA -0.038 58.040 58.100 -0.036 0.000 1.688 470 Y CB -0.116 38.339 38.460 -0.009 0.000 1.662 470 Y HN 0.480 nan 8.280 nan 0.000 0.465 471 T N 1.740 116.361 114.554 0.111 0.000 2.746 471 T HA -0.203 4.147 4.350 0.000 0.000 0.267 471 T C 2.184 176.915 174.700 0.053 0.000 1.039 471 T CA 1.352 63.485 62.100 0.055 0.000 1.142 471 T CB -0.154 68.732 68.868 0.030 0.000 0.866 471 T HN 0.694 nan 8.240 nan 0.000 0.444 472 I N 0.691 121.294 120.570 0.054 0.000 2.264 472 I HA -0.218 3.952 4.170 0.000 0.000 0.248 472 I C 2.434 178.598 176.117 0.079 0.000 1.111 472 I CA 1.672 63.010 61.300 0.063 0.000 1.382 472 I CB -0.012 38.006 38.000 0.029 0.000 1.060 472 I HN 0.152 nan 8.210 nan 0.000 0.418 473 E N 0.081 120.332 120.200 0.084 0.000 2.072 473 E HA -0.141 4.209 4.350 0.000 0.000 0.190 473 E C 2.086 178.756 176.600 0.117 0.000 0.982 473 E CA 1.202 57.668 56.400 0.110 0.000 0.803 473 E CB -0.147 29.646 29.700 0.155 0.000 0.755 473 E HN 0.373 nan 8.360 nan 0.000 0.453 474 V N 0.601 120.570 119.914 0.090 0.000 2.392 474 V HA -0.264 3.856 4.120 0.000 0.000 0.249 474 V C 1.924 178.026 176.094 0.013 0.000 1.059 474 V CA 1.494 63.813 62.300 0.032 0.000 1.051 474 V CB -0.390 31.435 31.823 0.003 0.000 0.658 474 V HN 0.382 nan 8.190 nan 0.000 0.455 475 M N -1.662 117.951 119.600 0.022 0.000 2.556 475 M HA 0.182 4.662 4.480 0.000 0.000 0.245 475 M C 1.747 178.049 176.300 0.005 0.000 1.128 475 M CA 1.104 56.404 55.300 0.001 0.000 1.069 475 M CB -0.480 32.111 32.600 -0.014 0.000 1.469 475 M HN 0.317 nan 8.290 nan 0.000 0.494 476 I N -1.596 118.996 120.570 0.036 0.000 2.681 476 I HA -0.050 4.120 4.170 0.000 0.000 0.247 476 I C 0.407 176.597 176.117 0.121 0.000 1.091 476 I CA 0.527 61.846 61.300 0.032 0.000 1.442 476 I CB 0.284 38.303 38.000 0.032 0.000 1.219 476 I HN 0.224 nan 8.210 nan 0.000 0.451 477 H N 0.155 119.249 119.070 0.040 0.000 3.154 477 H HA 0.286 4.842 4.556 0.000 0.000 0.330 477 H C -1.568 173.842 175.328 0.136 0.000 1.033 477 H CA -0.829 55.261 56.048 0.070 0.000 1.393 477 H CB 1.024 30.829 29.762 0.071 0.000 1.951 477 H HN -0.074 nan 8.280 nan 0.000 0.466 478 D N 2.662 122.840 120.400 -0.370 0.000 2.264 478 D HA 0.623 5.263 4.640 0.000 0.000 0.249 478 D C 0.200 176.251 176.300 -0.416 0.000 1.070 478 D CA 0.869 54.707 54.000 -0.270 0.000 0.912 478 D CB 1.404 42.081 40.800 -0.206 0.000 1.193 478 D HN 0.847 nan 8.370 nan 0.000 0.427 479 G N 1.795 110.261 108.800 -0.557 0.000 2.506 479 G HA2 0.308 4.268 3.960 0.000 0.000 0.292 479 G HA3 0.308 4.268 3.960 0.000 0.000 0.292 479 G C -2.347 171.970 174.900 -0.972 0.000 1.425 479 G CA -0.875 43.639 45.100 -0.977 0.000 0.788 479 G HN 0.257 nan 8.290 nan 0.000 0.490 480 P HA -0.045 nan 4.420 nan 0.000 0.222 480 P C 1.157 178.265 177.300 -0.321 0.000 1.147 480 P CA 1.100 63.962 63.100 -0.396 0.000 0.790 480 P CB -0.149 31.423 31.700 -0.214 0.000 0.780 481 Y N -1.959 118.335 120.300 -0.009 0.000 2.616 481 Y HA 0.100 4.650 4.550 0.000 0.000 0.296 481 Y C 1.422 177.341 175.900 0.031 0.000 1.154 481 Y CA 0.025 58.140 58.100 0.025 0.000 1.325 481 Y CB -1.984 36.518 38.460 0.070 0.000 1.007 481 Y HN -0.082 nan 8.280 nan 0.000 0.542 482 N N 0.268 118.970 118.700 0.003 0.000 2.412 482 N HA -0.031 4.709 4.740 0.000 0.000 0.184 482 N C -0.631 174.660 175.510 -0.365 0.000 1.101 482 N CA 0.219 53.272 53.050 0.004 0.000 0.881 482 N CB -0.148 38.360 38.487 0.035 0.000 0.969 482 N HN 0.353 nan 8.380 nan 0.000 0.459 483 N N 1.183 119.674 118.700 -0.349 0.000 2.498 483 N HA 0.307 5.047 4.740 0.000 0.000 0.287 483 N C 0.230 175.482 175.510 -0.430 0.000 1.097 483 N CA -0.285 52.506 53.050 -0.432 0.000 0.973 483 N CB 1.799 40.089 38.487 -0.329 0.000 1.153 483 N HN 0.174 nan 8.380 nan 0.000 0.472 484 I N -2.573 117.722 120.570 -0.458 0.000 3.108 484 I HA 0.598 4.768 4.170 0.000 0.000 0.312 484 I C -0.186 175.906 176.117 -0.042 0.000 1.095 484 I CA -1.256 59.887 61.300 -0.260 0.000 1.000 484 I CB 1.875 39.697 38.000 -0.297 0.000 1.229 484 I HN 0.066 nan 8.210 nan 0.000 0.454 485 K N 3.048 123.495 120.400 0.079 0.000 2.316 485 K HA 0.197 4.517 4.320 0.000 0.000 0.289 485 K C -0.408 176.342 176.600 0.251 0.000 1.070 485 K CA 0.078 56.492 56.287 0.213 0.000 0.928 485 K CB 0.218 32.867 32.500 0.248 0.000 1.039 485 K HN 0.675 nan 8.250 nan 0.000 0.480 486 N N 3.693 122.590 118.700 0.327 0.000 2.454 486 N HA 0.099 4.839 4.740 0.000 0.000 0.254 486 N C -1.082 174.543 175.510 0.192 0.000 1.228 486 N CA 0.054 53.228 53.050 0.207 0.000 0.900 486 N CB 0.345 38.858 38.487 0.044 0.000 1.089 486 N HN 0.350 nan 8.380 nan 0.000 0.449 487 W N 0.530 121.573 121.300 -0.427 0.000 2.671 487 W HA 0.253 4.913 4.660 0.000 0.000 0.360 487 W C -0.035 176.105 176.519 -0.632 0.000 1.128 487 W CA -0.853 56.131 57.345 -0.603 0.000 1.184 487 W CB 0.049 29.028 29.460 -0.802 0.000 1.415 487 W HN 0.443 nan 8.180 nan 0.000 0.604 488 D N 0.687 121.019 120.400 -0.113 0.000 2.558 488 D HA 0.051 4.691 4.640 0.000 0.000 0.221 488 D C 0.718 177.007 176.300 -0.018 0.000 1.143 488 D CA -0.132 53.842 54.000 -0.042 0.000 1.010 488 D CB -0.300 40.495 40.800 -0.008 0.000 1.068 488 D HN 0.168 nan 8.370 nan 0.000 0.511 489 Y N 1.906 122.300 120.300 0.157 0.000 2.165 489 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 489 Y C 2.537 178.459 175.900 0.037 0.000 1.155 489 Y CA 1.336 59.503 58.100 0.111 0.000 1.164 489 Y CB -0.644 37.764 38.460 -0.086 0.000 0.978 489 Y HN 0.463 nan 8.280 nan 0.000 0.513 490 A N 0.273 123.194 122.820 0.168 0.000 1.940 490 A HA -0.137 4.183 4.320 0.000 0.000 0.219 490 A C 2.559 180.180 177.584 0.062 0.000 1.176 490 A CA 1.808 53.905 52.037 0.100 0.000 0.631 490 A CB -1.473 17.594 19.000 0.111 0.000 0.814 490 A HN 0.483 nan 8.150 nan 0.000 0.446 491 G N -0.829 107.997 108.800 0.043 0.000 2.534 491 G HA2 0.005 3.965 3.960 0.000 0.000 0.217 491 G HA3 0.005 3.965 3.960 0.000 0.000 0.217 491 G C 1.318 176.178 174.900 -0.066 0.000 1.128 491 G CA 0.860 45.955 45.100 -0.009 0.000 0.784 491 G HN 0.428 nan 8.290 nan 0.000 0.542 492 L N 0.303 121.490 121.223 -0.060 0.000 2.191 492 L HA 0.031 4.371 4.340 0.000 0.000 0.212 492 L C 2.606 179.292 176.870 -0.307 0.000 1.103 492 L CA 1.283 55.989 54.840 -0.224 0.000 0.769 492 L CB -0.265 41.773 42.059 -0.035 0.000 0.908 492 L HN 0.087 nan 8.230 nan 0.000 0.438 493 M N -0.883 118.682 119.600 -0.059 0.000 2.080 493 M HA -0.171 4.309 4.480 0.000 0.000 0.260 493 M C 2.080 178.389 176.300 0.015 0.000 1.068 493 M CA 1.533 56.856 55.300 0.039 0.000 1.109 493 M CB -1.109 31.536 32.600 0.076 0.000 1.342 493 M HN 0.239 nan 8.290 nan 0.000 0.405 494 E N -0.252 119.937 120.200 -0.019 0.000 2.274 494 E HA -0.061 4.289 4.350 0.000 0.000 0.194 494 E C 2.254 178.836 176.600 -0.029 0.000 0.996 494 E CA 0.639 57.035 56.400 -0.007 0.000 0.840 494 E CB -0.249 29.445 29.700 -0.010 0.000 0.772 494 E HN 0.304 nan 8.360 nan 0.000 0.491 495 V N 0.677 120.519 119.914 -0.120 0.000 2.307 495 V HA -0.214 3.906 4.120 0.000 0.000 0.245 495 V C 1.942 178.029 176.094 -0.013 0.000 1.045 495 V CA 1.432 63.643 62.300 -0.148 0.000 1.024 495 V CB -0.509 31.113 31.823 -0.334 0.000 0.651 495 V HN 0.135 nan 8.190 nan 0.000 0.449 496 F N 0.644 120.618 119.950 0.039 0.000 2.407 496 F HA -0.015 4.512 4.527 0.000 0.000 0.299 496 F C 2.247 178.070 175.800 0.038 0.000 1.097 496 F CA 0.441 58.464 58.000 0.039 0.000 1.422 496 F CB -1.144 37.886 39.000 0.051 0.000 1.067 496 F HN 0.216 nan 8.300 nan 0.000 0.539 497 N N 0.370 119.188 118.700 0.197 0.000 2.106 497 N HA -0.073 4.668 4.740 0.000 0.000 0.188 497 N C 1.851 177.422 175.510 0.102 0.000 1.029 497 N CA 1.520 54.645 53.050 0.126 0.000 0.848 497 N CB -0.791 37.747 38.487 0.085 0.000 1.007 497 N HN 0.264 nan 8.380 nan 0.000 0.423 498 G N 1.173 110.023 108.800 0.083 0.000 2.273 498 G HA2 -0.283 3.677 3.960 0.000 0.000 0.280 498 G HA3 -0.283 3.677 3.960 0.000 0.000 0.280 498 G C -0.335 174.591 174.900 0.044 0.000 1.047 498 G CA -0.052 45.087 45.100 0.065 0.000 0.869 498 G HN 0.283 nan 8.290 nan 0.000 0.502 499 N N 0.413 119.133 118.700 0.034 0.000 2.454 499 N HA 0.395 5.135 4.740 0.000 0.000 0.260 499 N C 1.431 176.943 175.510 0.002 0.000 1.218 499 N CA 1.578 54.641 53.050 0.022 0.000 0.904 499 N CB 0.924 39.424 38.487 0.021 0.000 1.065 499 N HN 1.380 nan 8.380 nan 0.000 0.462 500 G N 0.236 109.032 108.800 -0.007 0.000 2.176 500 G HA2 -0.193 3.767 3.960 0.000 0.000 0.253 500 G HA3 -0.193 3.767 3.960 0.000 0.000 0.253 500 G C 0.556 175.418 174.900 -0.063 0.000 0.979 500 G CA 0.262 45.345 45.100 -0.030 0.000 0.641 500 G HN 0.868 nan 8.290 nan 0.000 0.530 501 G N -1.190 107.578 108.800 -0.053 0.000 2.849 501 G HA2 0.533 4.493 3.960 0.000 0.000 0.174 501 G HA3 0.533 4.493 3.960 0.000 0.000 0.174 501 G C 0.709 175.541 174.900 -0.113 0.000 1.370 501 G CA 0.174 45.203 45.100 -0.118 0.000 1.040 501 G HN 0.102 nan 8.290 nan 0.000 0.582 502 Y N 0.862 121.171 120.300 0.015 0.000 2.224 502 Y HA 0.018 4.568 4.550 0.000 0.000 0.289 502 Y C 1.705 177.615 175.900 0.017 0.000 1.146 502 Y CA 1.667 59.775 58.100 0.014 0.000 1.182 502 Y CB -0.041 38.426 38.460 0.012 0.000 0.983 502 Y HN 0.600 nan 8.280 nan 0.000 0.524 503 D N -2.022 118.481 120.400 0.171 0.000 2.887 503 D HA 0.541 5.181 4.640 0.000 0.000 0.221 503 D C -0.416 175.930 176.300 0.076 0.000 1.276 503 D CA -0.200 53.864 54.000 0.107 0.000 1.078 503 D CB 0.540 41.399 40.800 0.099 0.000 1.217 503 D HN -0.011 nan 8.370 nan 0.000 0.631 504 S N -2.730 113.012 115.700 0.070 0.000 2.672 504 S HA 0.810 5.280 4.470 0.000 0.000 0.271 504 S C -0.521 174.119 174.600 0.067 0.000 1.171 504 S CA -0.545 57.692 58.200 0.061 0.000 0.817 504 S CB 1.415 64.644 63.200 0.048 0.000 1.150 504 S HN 1.185 nan 8.310 nan 0.000 0.478 505 G N -1.191 107.648 108.800 0.065 0.000 2.646 505 G HA2 0.742 4.702 3.960 0.000 0.000 0.291 505 G HA3 0.742 4.702 3.960 0.000 0.000 0.291 505 G C -0.608 174.331 174.900 0.065 0.000 1.445 505 G CA -0.263 44.881 45.100 0.073 0.000 0.814 505 G HN 1.576 nan 8.290 nan 0.000 0.495 506 A N -0.017 122.843 122.820 0.067 0.000 2.616 506 A HA 0.715 5.035 4.320 0.000 0.000 0.294 506 A C 0.941 178.562 177.584 0.062 0.000 1.091 506 A CA 0.511 52.582 52.037 0.057 0.000 0.971 506 A CB -0.113 18.917 19.000 0.049 0.000 1.222 506 A HN 1.509 nan 8.150 nan 0.000 0.521 507 G N 0.105 108.951 108.800 0.078 0.000 2.539 507 G HA2 0.486 4.446 3.960 0.000 0.000 0.258 507 G HA3 0.486 4.446 3.960 0.000 0.000 0.258 507 G C -0.293 174.646 174.900 0.065 0.000 1.202 507 G CA -0.287 44.863 45.100 0.083 0.000 0.851 507 G HN 0.335 nan 8.290 nan 0.000 0.556 508 K N -0.281 120.151 120.400 0.053 0.000 2.427 508 K HA 0.550 4.870 4.320 0.000 0.000 0.252 508 K C -0.421 176.199 176.600 0.033 0.000 0.931 508 K CA -0.719 55.591 56.287 0.037 0.000 0.793 508 K CB 2.580 35.094 32.500 0.024 0.000 1.211 508 K HN 0.610 nan 8.250 nan 0.000 0.426 509 G N 2.905 111.726 108.800 0.034 0.000 2.478 509 G HA2 0.671 4.631 3.960 0.000 0.000 0.317 509 G HA3 0.671 4.631 3.960 0.000 0.000 0.317 509 G C -0.972 173.949 174.900 0.036 0.000 1.259 509 G CA -0.498 44.623 45.100 0.034 0.000 0.933 509 G HN 0.362 nan 8.290 nan 0.000 0.478 510 L N 1.151 122.394 121.223 0.035 0.000 2.371 510 L HA 0.609 4.949 4.340 0.000 0.000 0.262 510 L C -0.201 176.725 176.870 0.094 0.000 1.006 510 L CA -1.086 53.785 54.840 0.052 0.000 0.818 510 L CB 2.754 44.833 42.059 0.034 0.000 1.354 510 L HN 0.321 nan 8.230 nan 0.000 0.415 511 K N 1.301 121.779 120.400 0.130 0.000 2.207 511 K HA 0.842 5.162 4.320 0.000 0.000 0.255 511 K C -0.987 175.731 176.600 0.197 0.000 0.941 511 K CA -0.747 55.683 56.287 0.238 0.000 0.825 511 K CB 2.439 35.103 32.500 0.273 0.000 1.119 511 K HN 0.653 nan 8.250 nan 0.000 0.430 512 A N 2.551 125.540 122.820 0.281 0.000 2.375 512 A HA 0.317 4.637 4.320 0.000 0.000 0.291 512 A C -0.173 177.568 177.584 0.262 0.000 1.160 512 A CA -0.690 51.470 52.037 0.206 0.000 0.747 512 A CB 0.589 19.694 19.000 0.174 0.000 1.170 512 A HN 0.825 nan 8.150 nan 0.000 0.458 513 K N 0.758 121.233 120.400 0.125 0.000 2.374 513 K HA 0.168 4.488 4.320 0.000 0.000 0.202 513 K C 0.255 176.888 176.600 0.055 0.000 1.040 513 K CA 0.870 57.201 56.287 0.073 0.000 1.085 513 K CB 0.952 33.387 32.500 -0.107 0.000 0.873 513 K HN 0.822 nan 8.250 nan 0.000 0.539 514 T N -4.599 109.989 114.554 0.057 0.000 2.864 514 T HA 0.343 4.693 4.350 0.000 0.000 0.299 514 T C 1.135 175.866 174.700 0.051 0.000 1.166 514 T CA -0.532 61.593 62.100 0.043 0.000 1.007 514 T CB 1.657 70.539 68.868 0.024 0.000 1.219 514 T HN -0.013 nan 8.240 nan 0.000 0.506 515 G N 0.319 109.144 108.800 0.041 0.000 2.469 515 G HA2 0.008 3.968 3.960 0.000 0.000 0.219 515 G HA3 0.008 3.968 3.960 0.000 0.000 0.219 515 G C 1.471 176.396 174.900 0.042 0.000 1.150 515 G CA 0.949 46.073 45.100 0.040 0.000 0.763 515 G HN 1.178 nan 8.290 nan 0.000 0.561 516 G N 0.342 109.163 108.800 0.035 0.000 2.408 516 G HA2 -0.095 3.865 3.960 0.000 0.000 0.217 516 G HA3 -0.095 3.865 3.960 0.000 0.000 0.217 516 G C 1.622 176.546 174.900 0.040 0.000 1.150 516 G CA 1.011 46.131 45.100 0.033 0.000 0.776 516 G HN 0.526 nan 8.290 nan 0.000 0.542 517 E N -0.453 119.774 120.200 0.044 0.000 2.106 517 E HA -0.056 4.294 4.350 0.000 0.000 0.192 517 E C 2.358 179.001 176.600 0.072 0.000 0.984 517 E CA 0.475 56.906 56.400 0.052 0.000 0.806 517 E CB -0.119 29.612 29.700 0.052 0.000 0.750 517 E HN 0.330 nan 8.360 nan 0.000 0.458 518 L N 1.051 122.325 121.223 0.085 0.000 2.017 518 L HA -0.115 4.225 4.340 0.000 0.000 0.208 518 L C 2.203 179.138 176.870 0.107 0.000 1.073 518 L CA 2.030 56.938 54.840 0.114 0.000 0.745 518 L CB -0.688 41.440 42.059 0.115 0.000 0.894 518 L HN 0.025 nan 8.230 nan 0.000 0.432 519 A N -0.898 121.970 122.820 0.079 0.000 1.902 519 A HA -0.177 4.143 4.320 0.000 0.000 0.217 519 A C 2.140 179.763 177.584 0.064 0.000 1.181 519 A CA 1.707 53.786 52.037 0.069 0.000 0.623 519 A CB -0.556 18.474 19.000 0.050 0.000 0.818 519 A HN 0.528 nan 8.150 nan 0.000 0.443 520 E N -0.073 120.160 120.200 0.055 0.000 2.106 520 E HA -0.071 4.279 4.350 0.000 0.000 0.192 520 E C 2.355 178.984 176.600 0.048 0.000 0.984 520 E CA 1.178 57.606 56.400 0.045 0.000 0.806 520 E CB -0.702 29.020 29.700 0.037 0.000 0.750 520 E HN 0.564 nan 8.360 nan 0.000 0.458 521 A N 1.347 124.202 122.820 0.058 0.000 1.902 521 A HA -0.157 4.163 4.320 0.000 0.000 0.217 521 A C 2.349 179.961 177.584 0.047 0.000 1.181 521 A CA 1.201 53.269 52.037 0.051 0.000 0.623 521 A CB -0.712 18.326 19.000 0.063 0.000 0.818 521 A HN 0.190 nan 8.150 nan 0.000 0.443 522 I N -0.587 120.034 120.570 0.085 0.000 2.286 522 I HA -0.291 3.879 4.170 0.000 0.000 0.248 522 I C 2.472 178.628 176.117 0.064 0.000 1.115 522 I CA 1.574 62.935 61.300 0.101 0.000 1.392 522 I CB -0.291 37.810 38.000 0.169 0.000 1.065 522 I HN 0.336 nan 8.210 nan 0.000 0.418 523 K N 0.360 120.793 120.400 0.055 0.000 2.026 523 K HA -0.143 4.177 4.320 0.000 0.000 0.208 523 K C 2.071 178.689 176.600 0.031 0.000 1.048 523 K CA 1.343 57.655 56.287 0.041 0.000 0.929 523 K CB -0.275 32.247 32.500 0.037 0.000 0.713 523 K HN 0.133 nan 8.250 nan 0.000 0.439 524 V N 1.439 121.369 119.914 0.027 0.000 2.392 524 V HA -0.275 3.845 4.120 0.000 0.000 0.249 524 V C 2.339 178.440 176.094 0.012 0.000 1.059 524 V CA 2.040 64.352 62.300 0.019 0.000 1.051 524 V CB -0.707 31.126 31.823 0.018 0.000 0.658 524 V HN 0.377 nan 8.190 nan 0.000 0.455 525 A N -0.266 122.555 122.820 0.002 0.000 1.902 525 A HA -0.133 4.187 4.320 0.000 0.000 0.217 525 A C 2.190 179.776 177.584 0.003 0.000 1.181 525 A CA 1.682 53.709 52.037 -0.017 0.000 0.623 525 A CB -0.503 18.458 19.000 -0.065 0.000 0.818 525 A HN 0.505 nan 8.150 nan 0.000 0.443 526 L N -0.930 120.305 121.223 0.020 0.000 2.141 526 L HA -0.132 4.208 4.340 0.000 0.000 0.209 526 L C 2.821 179.706 176.870 0.025 0.000 1.094 526 L CA 0.908 55.766 54.840 0.028 0.000 0.763 526 L CB -0.321 41.761 42.059 0.038 0.000 0.908 526 L HN 0.431 nan 8.230 nan 0.000 0.437 527 A N -0.956 121.877 122.820 0.023 0.000 2.169 527 A HA -0.054 4.266 4.320 0.000 0.000 0.212 527 A C 1.017 178.614 177.584 0.021 0.000 1.153 527 A CA 0.231 52.281 52.037 0.022 0.000 0.756 527 A CB -0.414 18.599 19.000 0.021 0.000 0.813 527 A HN 0.328 nan 8.150 nan 0.000 0.471 528 N N 1.120 119.832 118.700 0.020 0.000 2.482 528 N HA 0.108 4.848 4.740 0.000 0.000 0.242 528 N C 0.854 176.380 175.510 0.026 0.000 1.100 528 N CA 0.770 53.834 53.050 0.022 0.000 0.946 528 N CB 0.586 39.084 38.487 0.019 0.000 1.227 528 N HN 0.258 nan 8.380 nan 0.000 0.508 529 T N -1.354 113.217 114.554 0.028 0.000 3.086 529 T HA 0.171 4.521 4.350 0.000 0.000 0.250 529 T C 0.330 175.052 174.700 0.036 0.000 1.074 529 T CA 0.071 62.190 62.100 0.031 0.000 0.988 529 T CB 0.198 69.082 68.868 0.028 0.000 0.988 529 T HN 0.118 nan 8.240 nan 0.000 0.530 530 D N 0.896 121.319 120.400 0.038 0.000 2.379 530 D HA 0.383 5.023 4.640 0.000 0.000 0.208 530 D C 0.949 177.281 176.300 0.053 0.000 1.065 530 D CA 0.401 54.427 54.000 0.043 0.000 0.848 530 D CB 0.968 41.792 40.800 0.039 0.000 0.949 530 D HN 0.645 nan 8.370 nan 0.000 0.509 531 G N 0.335 109.167 108.800 0.054 0.000 2.506 531 G HA2 0.376 4.336 3.960 0.000 0.000 0.292 531 G HA3 0.376 4.336 3.960 0.000 0.000 0.292 531 G C -3.072 171.865 174.900 0.062 0.000 1.425 531 G CA -0.978 44.162 45.100 0.066 0.000 0.788 531 G HN -0.300 nan 8.290 nan 0.000 0.490 532 P HA 0.342 nan 4.420 nan 0.000 0.272 532 P C -0.546 176.778 177.300 0.040 0.000 1.230 532 P CA 0.190 63.328 63.100 0.063 0.000 0.788 532 P CB 1.164 32.920 31.700 0.094 0.000 0.949 533 T N 2.344 116.896 114.554 -0.003 0.000 2.809 533 T HA 0.401 4.751 4.350 0.000 0.000 0.284 533 T C -0.243 174.406 174.700 -0.085 0.000 0.992 533 T CA -0.414 61.665 62.100 -0.034 0.000 0.957 533 T CB 0.570 69.403 68.868 -0.059 0.000 0.942 533 T HN 0.281 nan 8.240 nan 0.000 0.439 534 L N 5.199 126.391 121.223 -0.052 0.000 2.264 534 L HA 0.619 4.959 4.340 0.000 0.000 0.289 534 L C -0.959 175.843 176.870 -0.113 0.000 1.044 534 L CA -0.728 54.053 54.840 -0.098 0.000 0.807 534 L CB 0.329 42.365 42.059 -0.040 0.000 1.192 534 L HN 0.643 nan 8.230 nan 0.000 0.425 535 I N 5.120 125.576 120.570 -0.189 0.000 2.330 535 I HA 0.239 4.409 4.170 0.000 0.000 0.286 535 I C 0.015 176.092 176.117 -0.067 0.000 1.025 535 I CA -0.357 60.879 61.300 -0.108 0.000 1.197 535 I CB 1.398 39.315 38.000 -0.139 0.000 1.358 535 I HN 0.614 nan 8.210 nan 0.000 0.467 536 E N 6.289 126.470 120.200 -0.031 0.000 2.070 536 E HA 0.215 4.565 4.350 0.000 0.000 0.282 536 E C -1.116 175.436 176.600 -0.080 0.000 1.104 536 E CA -0.500 55.836 56.400 -0.108 0.000 0.876 536 E CB 0.590 30.258 29.700 -0.053 0.000 1.055 536 E HN 0.619 nan 8.360 nan 0.000 0.401 537 C N 5.676 124.898 119.300 -0.131 0.000 2.307 537 C HA 0.388 4.848 4.460 0.000 0.000 0.340 537 C C -0.412 174.501 174.990 -0.129 0.000 1.275 537 C CA -0.812 58.207 59.018 0.002 0.000 1.811 537 C CB -0.713 27.061 27.740 0.057 0.000 2.372 537 C HN 0.602 nan 8.230 nan 0.000 0.531 538 F N 4.821 124.793 119.950 0.036 0.000 2.361 538 F HA 0.642 5.169 4.527 0.000 0.000 0.364 538 F C 0.609 176.427 175.800 0.030 0.000 1.120 538 F CA -0.502 57.519 58.000 0.034 0.000 1.102 538 F CB 0.416 39.433 39.000 0.029 0.000 1.183 538 F HN 0.487 nan 8.300 nan 0.000 0.476 539 I N -0.531 120.125 120.570 0.144 0.000 3.074 539 I HA 0.938 5.108 4.170 0.000 0.000 0.310 539 I C 0.154 176.330 176.117 0.097 0.000 1.153 539 I CA -1.310 60.053 61.300 0.105 0.000 0.993 539 I CB 1.812 39.849 38.000 0.062 0.000 1.237 539 I HN 0.526 nan 8.210 nan 0.000 0.443 540 G N 1.312 110.159 108.800 0.078 0.000 2.572 540 G HA2 0.234 4.194 3.960 0.000 0.000 0.261 540 G HA3 0.234 4.194 3.960 0.000 0.000 0.261 540 G C 0.484 175.417 174.900 0.056 0.000 1.197 540 G CA -0.450 44.693 45.100 0.073 0.000 0.870 540 G HN 0.991 nan 8.290 nan 0.000 0.548 541 R N -0.156 120.377 120.500 0.055 0.000 2.081 541 R HA -0.073 4.267 4.340 0.000 0.000 0.235 541 R C 1.737 178.044 176.300 0.013 0.000 1.131 541 R CA 1.875 57.993 56.100 0.031 0.000 0.960 541 R CB -0.140 30.169 30.300 0.015 0.000 0.856 541 R HN 0.524 nan 8.270 nan 0.000 0.436 542 E N 0.455 120.661 120.200 0.010 0.000 2.502 542 E HA -0.055 4.295 4.350 0.000 0.000 0.194 542 E C -0.464 176.134 176.600 -0.002 0.000 1.062 542 E CA 0.409 56.807 56.400 -0.002 0.000 0.867 542 E CB 0.163 29.859 29.700 -0.006 0.000 0.888 542 E HN 0.268 nan 8.360 nan 0.000 0.510 543 D N 0.639 121.044 120.400 0.008 0.000 2.551 543 D HA 0.036 4.676 4.640 0.000 0.000 0.223 543 D C -0.762 175.540 176.300 0.004 0.000 1.144 543 D CA -0.287 53.718 54.000 0.008 0.000 1.025 543 D CB -0.556 40.256 40.800 0.020 0.000 1.085 543 D HN 0.152 nan 8.370 nan 0.000 0.506 544 C N 0.512 119.806 119.300 -0.011 0.000 3.108 544 C HA 0.858 5.318 4.460 0.000 0.000 0.321 544 C C 0.670 175.639 174.990 -0.036 0.000 1.357 544 C CA -0.740 58.268 59.018 -0.017 0.000 1.562 544 C CB 0.751 28.472 27.740 -0.032 0.000 2.003 544 C HN 0.471 nan 8.230 nan 0.000 0.460 545 T N -1.047 113.480 114.554 -0.045 0.000 2.903 545 T HA 0.210 4.560 4.350 0.000 0.000 0.314 545 T C 0.692 175.321 174.700 -0.118 0.000 1.078 545 T CA 0.309 62.374 62.100 -0.058 0.000 1.114 545 T CB 0.340 69.195 68.868 -0.022 0.000 0.987 545 T HN 0.821 nan 8.240 nan 0.000 0.548 546 E N 1.245 121.392 120.200 -0.088 0.000 2.110 546 E HA -0.171 4.179 4.350 0.000 0.000 0.193 546 E C 2.048 178.552 176.600 -0.161 0.000 0.988 546 E CA 1.435 57.777 56.400 -0.098 0.000 0.804 546 E CB -0.071 29.593 29.700 -0.060 0.000 0.745 546 E HN 0.793 nan 8.360 nan 0.000 0.458 547 E N 0.800 120.883 120.200 -0.195 0.000 2.077 547 E HA -0.194 4.156 4.350 0.000 0.000 0.193 547 E C 1.956 178.170 176.600 -0.643 0.000 0.989 547 E CA 0.668 56.895 56.400 -0.288 0.000 0.800 547 E CB -0.169 29.468 29.700 -0.104 0.000 0.746 547 E HN 0.114 nan 8.360 nan 0.000 0.452 548 L N 0.321 120.944 121.223 -0.999 0.000 2.042 548 L HA -0.168 4.172 4.340 0.000 0.000 0.210 548 L C 2.024 178.664 176.870 -0.382 0.000 1.076 548 L CA 1.519 55.687 54.840 -1.121 0.000 0.749 548 L CB -0.453 41.134 42.059 -0.788 0.000 0.893 548 L HN 0.023 nan 8.230 nan 0.000 0.432 549 V N -0.085 119.674 119.914 -0.259 0.000 2.295 549 V HA -0.295 3.825 4.120 0.000 0.000 0.246 549 V C 2.626 178.652 176.094 -0.112 0.000 1.049 549 V CA 2.211 64.428 62.300 -0.138 0.000 1.024 549 V CB -0.802 30.957 31.823 -0.106 0.000 0.648 549 V HN 0.467 nan 8.190 nan 0.000 0.447 550 K N -1.173 119.155 120.400 -0.120 0.000 2.002 550 K HA -0.251 4.069 4.320 0.000 0.000 0.209 550 K C 1.998 178.555 176.600 -0.072 0.000 1.048 550 K CA 2.128 58.364 56.287 -0.086 0.000 0.930 550 K CB -0.370 32.084 32.500 -0.076 0.000 0.714 550 K HN 0.612 nan 8.250 nan 0.000 0.438 551 W N 1.536 122.652 121.300 -0.306 0.000 2.358 551 W HA -0.129 4.531 4.660 -0.000 0.000 0.303 551 W C 2.004 178.398 176.519 -0.209 0.000 1.208 551 W CA 1.993 59.160 57.345 -0.297 0.000 1.274 551 W CB -0.692 28.532 29.460 -0.393 0.000 1.138 551 W HN 0.114 nan 8.180 nan 0.000 0.515 552 G N 0.684 109.435 108.800 -0.082 0.000 2.469 552 G HA2 -0.340 3.620 3.960 0.000 0.000 0.219 552 G HA3 -0.340 3.620 3.960 0.000 0.000 0.219 552 G C 1.503 176.247 174.900 -0.259 0.000 1.150 552 G CA 1.364 46.333 45.100 -0.217 0.000 0.763 552 G HN 0.324 nan 8.290 nan 0.000 0.561 553 K N -0.257 120.039 120.400 -0.174 0.000 2.057 553 K HA -0.020 4.300 4.320 0.000 0.000 0.207 553 K C 2.789 179.290 176.600 -0.165 0.000 1.049 553 K CA 0.781 56.989 56.287 -0.131 0.000 0.931 553 K CB -0.075 32.374 32.500 -0.085 0.000 0.714 553 K HN 0.042 nan 8.250 nan 0.000 0.440 554 R N 0.542 120.906 120.500 -0.227 0.000 2.075 554 R HA -0.051 4.289 4.340 0.000 0.000 0.232 554 R C 2.326 178.458 176.300 -0.279 0.000 1.126 554 R CA 0.825 56.794 56.100 -0.218 0.000 0.963 554 R CB -0.945 29.220 30.300 -0.226 0.000 0.858 554 R HN 0.063 nan 8.270 nan 0.000 0.435 555 V N 1.483 121.098 119.914 -0.499 0.000 2.295 555 V HA -0.243 3.877 4.120 0.000 0.000 0.246 555 V C 2.531 178.487 176.094 -0.230 0.000 1.049 555 V CA 1.977 63.987 62.300 -0.483 0.000 1.024 555 V CB -0.851 30.420 31.823 -0.920 0.000 0.648 555 V HN 0.337 nan 8.190 nan 0.000 0.447 556 A N -0.302 122.400 122.820 -0.198 0.000 1.940 556 A HA -0.140 4.180 4.320 0.000 0.000 0.219 556 A C 2.392 179.936 177.584 -0.067 0.000 1.176 556 A CA 2.166 54.146 52.037 -0.095 0.000 0.631 556 A CB -0.724 18.244 19.000 -0.052 0.000 0.814 556 A HN 0.592 nan 8.150 nan 0.000 0.446 557 A N -0.171 122.608 122.820 -0.069 0.000 1.873 557 A HA 0.199 4.519 4.320 0.000 0.000 0.215 557 A C 2.525 180.109 177.584 0.001 0.000 1.186 557 A CA 1.999 54.017 52.037 -0.032 0.000 0.616 557 A CB -1.060 17.922 19.000 -0.030 0.000 0.823 557 A HN 1.045 nan 8.150 nan 0.000 0.442 558 A N 0.502 123.328 122.820 0.010 0.000 1.883 558 A HA -0.257 4.063 4.320 0.000 0.000 0.217 558 A C 1.897 179.534 177.584 0.089 0.000 1.186 558 A CA 1.835 53.932 52.037 0.100 0.000 0.624 558 A CB -1.016 18.050 19.000 0.110 0.000 0.822 558 A HN 0.730 nan 8.150 nan 0.000 0.444 559 N N 0.022 118.742 118.700 0.034 0.000 2.149 559 N HA -0.144 4.596 4.740 0.000 0.000 0.188 559 N C 1.656 177.167 175.510 0.002 0.000 1.019 559 N CA 1.503 54.566 53.050 0.022 0.000 0.857 559 N CB -0.116 38.366 38.487 -0.008 0.000 0.997 559 N HN 0.642 nan 8.380 nan 0.000 0.426 560 S N 0.827 116.518 115.700 -0.014 0.000 2.556 560 S HA 0.053 4.523 4.470 0.000 0.000 0.216 560 S C 0.501 175.093 174.600 -0.013 0.000 0.970 560 S CA -0.639 57.543 58.200 -0.031 0.000 0.912 560 S CB -0.075 63.090 63.200 -0.058 0.000 0.790 560 S HN 0.239 nan 8.310 nan 0.000 0.504 561 R N 2.511 123.015 120.500 0.007 0.000 2.538 561 R HA 0.134 4.474 4.340 0.000 0.000 0.282 561 R C -0.103 176.197 176.300 -0.001 0.000 1.009 561 R CA -0.409 55.696 56.100 0.009 0.000 1.063 561 R CB -0.069 30.247 30.300 0.026 0.000 0.945 561 R HN 0.407 nan 8.270 nan 0.000 0.414 562 K N 2.986 123.383 120.400 -0.006 0.000 2.397 562 K HA 0.167 4.487 4.320 0.000 0.000 0.265 562 K C -2.106 174.488 176.600 -0.010 0.000 0.982 562 K CA -1.116 55.165 56.287 -0.009 0.000 0.931 562 K CB -0.234 32.260 32.500 -0.009 0.000 0.943 562 K HN 0.375 nan 8.250 nan 0.000 0.501 563 P HA 0.015 nan 4.420 nan 0.000 0.269 563 P C -0.822 176.468 177.300 -0.016 0.000 1.209 563 P CA -0.465 62.626 63.100 -0.015 0.000 0.776 563 P CB 0.703 32.395 31.700 -0.014 0.000 0.876 564 V N 2.327 122.228 119.914 -0.021 0.000 2.973 564 V HA 0.270 4.390 4.120 0.000 0.000 0.314 564 V C 0.465 176.547 176.094 -0.021 0.000 1.066 564 V CA -0.553 61.734 62.300 -0.022 0.000 1.021 564 V CB 1.458 33.264 31.823 -0.030 0.000 1.076 564 V HN 0.578 nan 8.190 nan 0.000 0.462 565 N N 1.437 120.125 118.700 -0.019 0.000 2.419 565 N HA 0.380 5.120 4.740 0.000 0.000 0.277 565 N C -0.079 175.420 175.510 -0.019 0.000 1.006 565 N CA -0.768 52.271 53.050 -0.017 0.000 0.923 565 N CB 0.815 39.294 38.487 -0.015 0.000 1.140 565 N HN 0.686 nan 8.380 nan 0.000 0.488 566 K N 0.000 120.389 120.400 -0.018 0.000 2.780 566 K HA 0.000 4.320 4.320 0.000 0.000 0.191 566 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 566 K CB 0.000 32.491 32.500 -0.016 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543