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 3lmm_1_A DATA FIRST_RESID 9 DATA SEQUENCE EGRREQLIAQ VESILASAAD GRVQKTKETQ SVDFKEEAGR RNGPQIEPGK DATA SEQUENCE PENPEAADKL ADEVAcXANT PGGGALIVGI EDKTGRIIGT ELDIDWLRQG DATA SEQUENCE IFTRIDVAPD VVAKRVLGQR VLAIYVAAAA EPIEDTSDRL RWRVGDScRP DATA SEQUENCE VDRAEWWEYQ RAQSGFDPXA QVTTATLGDA RPAALALARK WDPAFAELTD DATA SEQUENCE EELLRGIGAL DAEGFLSQAG KLLFTSLDRT AIELSIFDVH GGQVLNRVVP DATA SEQUENCE EPEKSCLEQL DYLEQALNVV NKNNTVVEGF VHKPVPEIPR LAVREAXLNA DATA SEQUENCE XIHRDWNRSE PIDVRWIELD STLIVRSPGG FPAAITSENV LSNRAARYPA DATA SEQUENCE LADLYRALGL VDKQGVGVDR XYQAXIALGH RPPTIEEIAG PFVETTLVGG DATA SEQUENCE RPVLPVLELV SSIVPEARQD DYRIAIVLYL LFQRPFITID VVARGLQSGK DATA SEQUENCE EAARNALEAA RQTTVAGAPL IIAHDGVWLL GNACREILRK VE 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.593 176.600 -0.012 0.000 1.382 9 E CA 0.000 56.400 56.400 0.000 0.000 0.976 9 E CB 0.000 29.707 29.700 0.012 0.000 0.812 10 G N 0.838 109.634 108.800 -0.006 0.000 2.484 10 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 10 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 10 G C 1.292 176.183 174.900 -0.015 0.000 1.130 10 G CA 1.213 46.306 45.100 -0.012 0.000 0.784 10 G HN 0.334 nan 8.290 nan 0.000 0.543 11 R N 0.929 121.425 120.500 -0.007 0.000 2.073 11 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 11 R C 2.454 178.742 176.300 -0.021 0.000 1.134 11 R CA 1.703 57.801 56.100 -0.003 0.000 0.952 11 R CB -0.608 29.700 30.300 0.012 0.000 0.850 11 R HN 0.253 nan 8.270 nan 0.000 0.433 12 R N 1.092 121.567 120.500 -0.042 0.000 2.115 12 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 12 R C 1.941 178.152 176.300 -0.148 0.000 1.133 12 R CA 2.511 58.543 56.100 -0.112 0.000 0.935 12 R CB -0.675 29.549 30.300 -0.126 0.000 0.853 12 R HN 0.546 nan 8.270 nan 0.000 0.433 13 E N -0.013 120.127 120.200 -0.101 0.000 2.070 13 E HA -0.328 4.022 4.350 -0.000 0.000 0.197 13 E C 2.042 178.608 176.600 -0.058 0.000 1.004 13 E CA 1.709 58.058 56.400 -0.085 0.000 0.805 13 E CB -0.238 29.432 29.700 -0.051 0.000 0.744 13 E HN 0.593 nan 8.360 nan 0.000 0.451 14 Q N 0.563 120.343 119.800 -0.034 0.000 2.096 14 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 14 Q C 2.196 178.201 176.000 0.009 0.000 0.982 14 Q CA 1.174 56.972 55.803 -0.008 0.000 0.850 14 Q CB -0.012 28.726 28.738 -0.001 0.000 0.901 14 Q HN 0.165 nan 8.270 nan 0.000 0.422 15 L N 0.689 121.916 121.223 0.007 0.000 1.994 15 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 15 L C 2.271 179.216 176.870 0.125 0.000 1.071 15 L CA 1.581 56.471 54.840 0.084 0.000 0.745 15 L CB -0.642 41.489 42.059 0.120 0.000 0.892 15 L HN 0.349 nan 8.230 nan 0.000 0.431 16 I N -0.972 119.552 120.570 -0.077 0.000 2.264 16 I HA -0.348 3.822 4.170 -0.000 0.000 0.248 16 I C 2.550 178.709 176.117 0.071 0.000 1.111 16 I CA 1.182 62.457 61.300 -0.042 0.000 1.382 16 I CB -0.694 37.178 38.000 -0.213 0.000 1.060 16 I HN 0.265 nan 8.210 nan 0.000 0.418 17 A N 0.487 123.325 122.820 0.030 0.000 1.858 17 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 17 A C 2.291 179.914 177.584 0.064 0.000 1.190 17 A CA 1.750 53.810 52.037 0.038 0.000 0.617 17 A CB -0.770 18.241 19.000 0.019 0.000 0.827 17 A HN 0.450 nan 8.150 nan 0.000 0.443 18 Q N -0.500 119.344 119.800 0.073 0.000 2.077 18 Q HA -0.181 4.158 4.340 -0.000 0.000 0.206 18 Q C 2.174 178.239 176.000 0.108 0.000 0.989 18 Q CA 2.065 57.916 55.803 0.080 0.000 0.853 18 Q CB -0.510 28.274 28.738 0.077 0.000 0.907 18 Q HN 0.516 nan 8.270 nan 0.000 0.418 19 V N 1.344 121.350 119.914 0.152 0.000 2.287 19 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 19 V C 2.166 178.331 176.094 0.119 0.000 1.053 19 V CA 1.846 64.241 62.300 0.158 0.000 1.027 19 V CB -0.631 31.323 31.823 0.219 0.000 0.646 19 V HN 0.344 nan 8.190 nan 0.000 0.447 20 E N 0.284 120.549 120.200 0.107 0.000 2.070 20 E HA -0.239 4.110 4.350 -0.000 0.000 0.197 20 E C 2.476 179.113 176.600 0.062 0.000 1.004 20 E CA 1.798 58.243 56.400 0.075 0.000 0.805 20 E CB -0.597 29.139 29.700 0.060 0.000 0.744 20 E HN 0.608 nan 8.360 nan 0.000 0.451 21 S N 0.790 116.528 115.700 0.064 0.000 2.354 21 S HA -0.160 4.310 4.470 -0.000 0.000 0.219 21 S C 2.079 176.719 174.600 0.067 0.000 1.035 21 S CA 1.155 59.389 58.200 0.057 0.000 1.037 21 S CB -0.195 63.037 63.200 0.053 0.000 0.956 21 S HN 0.114 nan 8.310 nan 0.000 0.428 22 I N 1.997 122.624 120.570 0.095 0.000 2.145 22 I HA -0.205 3.965 4.170 -0.000 0.000 0.244 22 I C 2.403 178.567 176.117 0.078 0.000 1.075 22 I CA 1.525 62.902 61.300 0.128 0.000 1.332 22 I CB -1.501 36.634 38.000 0.225 0.000 1.033 22 I HN 0.413 nan 8.210 nan 0.000 0.410 23 L N 0.291 121.548 121.223 0.057 0.000 2.201 23 L HA -0.129 4.210 4.340 -0.000 0.000 0.212 23 L C 2.642 179.523 176.870 0.019 0.000 1.105 23 L CA 1.015 55.868 54.840 0.022 0.000 0.775 23 L CB -0.648 41.424 42.059 0.022 0.000 0.913 23 L HN 0.193 nan 8.230 nan 0.000 0.440 24 A N 0.001 122.839 122.820 0.029 0.000 2.066 24 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 24 A C 2.393 179.990 177.584 0.020 0.000 1.157 24 A CA 1.385 53.436 52.037 0.023 0.000 0.670 24 A CB -0.391 18.625 19.000 0.026 0.000 0.804 24 A HN 0.490 nan 8.150 nan 0.000 0.453 25 S N -0.120 115.596 115.700 0.026 0.000 2.607 25 S HA 0.419 4.889 4.470 -0.000 0.000 0.224 25 S C 0.978 175.586 174.600 0.014 0.000 0.969 25 S CA 0.312 58.527 58.200 0.025 0.000 0.927 25 S CB -0.779 62.445 63.200 0.040 0.000 0.772 25 S HN 0.958 nan 8.310 nan 0.000 0.533 26 A N 1.376 124.199 122.820 0.004 0.000 2.573 26 A HA 0.510 4.830 4.320 -0.000 0.000 0.250 26 A C 0.540 178.120 177.584 -0.005 0.000 1.049 26 A CA 0.493 52.525 52.037 -0.009 0.000 0.767 26 A CB -0.930 18.061 19.000 -0.015 0.000 0.965 26 A HN 1.645 nan 8.150 nan 0.000 0.514 27 A N 3.530 126.346 122.820 -0.008 0.000 2.596 27 A HA 0.539 4.859 4.320 -0.000 0.000 0.305 27 A C -0.152 177.428 177.584 -0.005 0.000 1.032 27 A CA 0.007 52.041 52.037 -0.004 0.000 0.776 27 A CB 0.451 19.452 19.000 0.001 0.000 1.253 27 A HN 1.232 nan 8.150 nan 0.000 0.402 28 D N 1.031 121.428 120.400 -0.006 0.000 2.947 28 D HA -0.187 4.453 4.640 -0.000 0.000 0.224 28 D C 1.158 177.451 176.300 -0.011 0.000 1.132 28 D CA 2.368 56.364 54.000 -0.006 0.000 0.801 28 D CB -1.277 39.522 40.800 -0.002 0.000 1.097 28 D HN 2.450 nan 8.370 nan 0.000 0.431 29 G N 0.502 109.292 108.800 -0.016 0.000 2.212 29 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.266 29 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.266 29 G C 0.361 175.240 174.900 -0.034 0.000 0.978 29 G CA 1.385 46.471 45.100 -0.024 0.000 0.632 29 G HN 0.819 nan 8.290 nan 0.000 0.537 30 R N -1.190 119.292 120.500 -0.030 0.000 2.905 30 R HA 0.855 5.195 4.340 -0.000 0.000 0.260 30 R C -0.247 176.030 176.300 -0.039 0.000 1.086 30 R CA -0.469 55.606 56.100 -0.042 0.000 0.978 30 R CB 1.809 32.098 30.300 -0.018 0.000 1.215 30 R HN 0.896 nan 8.270 nan 0.000 0.480 31 V N -1.971 117.910 119.914 -0.055 0.000 3.046 31 V HA 0.617 4.737 4.120 -0.000 0.000 0.316 31 V C -0.830 175.307 176.094 0.071 0.000 1.104 31 V CA -0.970 61.318 62.300 -0.021 0.000 1.006 31 V CB 1.837 33.604 31.823 -0.093 0.000 1.058 31 V HN 0.882 nan 8.190 nan 0.000 0.440 32 Q N 0.694 120.561 119.800 0.110 0.000 2.433 32 Q HA 0.616 4.956 4.340 -0.000 0.000 0.279 32 Q C -1.157 174.941 176.000 0.163 0.000 1.105 32 Q CA -0.964 54.924 55.803 0.142 0.000 0.815 32 Q CB 3.328 32.113 28.738 0.078 0.000 1.403 32 Q HN 0.750 nan 8.270 nan 0.000 0.435 33 K N 0.207 120.680 120.400 0.121 0.000 2.267 33 K HA 0.681 5.001 4.320 -0.000 0.000 0.236 33 K C -0.634 175.984 176.600 0.030 0.000 1.030 33 K CA -0.520 55.804 56.287 0.063 0.000 0.930 33 K CB 1.608 34.087 32.500 -0.034 0.000 1.182 33 K HN 0.745 nan 8.250 nan 0.000 0.474 34 T N -2.832 111.728 114.554 0.010 0.000 2.868 34 T HA 0.224 4.574 4.350 -0.000 0.000 0.306 34 T C 0.653 175.347 174.700 -0.010 0.000 1.224 34 T CA -1.035 61.068 62.100 0.005 0.000 1.012 34 T CB 1.760 70.637 68.868 0.014 0.000 1.221 34 T HN 0.598 nan 8.240 nan 0.000 0.499 35 K N 0.228 120.621 120.400 -0.011 0.000 2.097 35 K HA -0.257 4.063 4.320 -0.000 0.000 0.214 35 K C 1.749 178.338 176.600 -0.019 0.000 1.052 35 K CA 2.060 58.336 56.287 -0.018 0.000 0.932 35 K CB -0.075 32.416 32.500 -0.014 0.000 0.716 35 K HN 0.611 nan 8.250 nan 0.000 0.455 36 E N -0.441 119.754 120.200 -0.009 0.000 2.106 36 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 36 E C 1.473 178.070 176.600 -0.005 0.000 0.984 36 E CA 1.677 58.074 56.400 -0.005 0.000 0.806 36 E CB -0.022 29.680 29.700 0.004 0.000 0.750 36 E HN 0.537 nan 8.360 nan 0.000 0.458 37 T N -2.059 112.493 114.554 -0.004 0.000 3.269 37 T HA 0.183 4.533 4.350 -0.000 0.000 0.269 37 T C 1.205 175.875 174.700 -0.050 0.000 0.993 37 T CA -0.312 61.786 62.100 -0.004 0.000 0.909 37 T CB 0.645 69.532 68.868 0.032 0.000 1.115 37 T HN -0.012 nan 8.240 nan 0.000 0.543 38 Q N 1.180 120.941 119.800 -0.065 0.000 2.172 38 Q HA -0.022 4.318 4.340 -0.000 0.000 0.200 38 Q C 1.682 177.592 176.000 -0.149 0.000 0.964 38 Q CA 1.117 56.854 55.803 -0.109 0.000 0.855 38 Q CB -0.130 28.559 28.738 -0.081 0.000 0.918 38 Q HN 0.523 nan 8.270 nan 0.000 0.444 39 S N -0.084 115.550 115.700 -0.109 0.000 2.562 39 S HA 0.067 4.537 4.470 -0.000 0.000 0.221 39 S C 0.340 174.869 174.600 -0.118 0.000 0.975 39 S CA -0.148 57.987 58.200 -0.109 0.000 0.918 39 S CB 0.304 63.461 63.200 -0.073 0.000 0.772 39 S HN 0.150 nan 8.310 nan 0.000 0.531 40 V N 3.260 123.096 119.914 -0.131 0.000 2.617 40 V HA 0.011 4.131 4.120 -0.000 0.000 0.304 40 V C 0.371 176.348 176.094 -0.194 0.000 1.040 40 V CA -0.158 62.085 62.300 -0.095 0.000 1.149 40 V CB 0.371 32.189 31.823 -0.008 0.000 0.914 40 V HN 0.210 nan 8.190 nan 0.000 0.487 41 D N 4.601 124.968 120.400 -0.054 0.000 2.365 41 D HA 0.226 4.866 4.640 -0.000 0.000 0.237 41 D C -0.344 176.053 176.300 0.163 0.000 1.190 41 D CA -0.061 53.928 54.000 -0.019 0.000 0.867 41 D CB 0.164 40.970 40.800 0.010 0.000 1.050 41 D HN 0.388 nan 8.370 nan 0.000 0.491 42 F N 3.924 123.867 119.950 -0.011 0.000 2.421 42 F HA 0.263 4.790 4.527 -0.000 0.000 0.358 42 F C 1.237 177.032 175.800 -0.007 0.000 1.115 42 F CA -0.506 57.488 58.000 -0.011 0.000 1.160 42 F CB 0.896 39.892 39.000 -0.007 0.000 1.123 42 F HN -0.078 nan 8.300 nan 0.000 0.508 43 K N 3.334 123.836 120.400 0.170 0.000 2.426 43 K HA 0.271 4.591 4.320 -0.000 0.000 0.251 43 K C -1.083 175.545 176.600 0.046 0.000 0.941 43 K CA -0.829 55.512 56.287 0.091 0.000 0.808 43 K CB 3.084 35.624 32.500 0.066 0.000 1.265 43 K HN 0.608 nan 8.250 nan 0.000 0.432 44 E N 2.354 122.577 120.200 0.037 0.000 2.145 44 E HA 0.050 4.399 4.350 -0.000 0.000 0.270 44 E C -0.867 175.746 176.600 0.021 0.000 0.906 44 E CA -0.388 56.022 56.400 0.017 0.000 0.761 44 E CB 1.240 30.950 29.700 0.016 0.000 1.116 44 E HN 0.478 nan 8.360 nan 0.000 0.408 45 E N 3.503 123.712 120.200 0.016 0.000 2.752 45 E HA -0.002 4.348 4.350 -0.000 0.000 0.241 45 E C -0.583 176.030 176.600 0.021 0.000 1.016 45 E CA -0.102 56.312 56.400 0.024 0.000 0.952 45 E CB 0.342 30.052 29.700 0.015 0.000 0.921 45 E HN 0.543 nan 8.360 nan 0.000 0.515 46 A N 3.600 126.438 122.820 0.030 0.000 2.386 46 A HA 0.458 4.778 4.320 -0.000 0.000 0.246 46 A C 1.256 178.853 177.584 0.021 0.000 1.089 46 A CA 0.314 52.367 52.037 0.026 0.000 0.790 46 A CB 0.160 19.179 19.000 0.031 0.000 1.042 46 A HN 1.168 nan 8.150 nan 0.000 0.497 47 G N -0.266 108.544 108.800 0.016 0.000 2.147 47 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 47 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 47 G C 0.616 175.518 174.900 0.003 0.000 1.005 47 G CA 0.897 46.004 45.100 0.012 0.000 0.713 47 G HN 0.922 nan 8.290 nan 0.000 0.515 48 R N -1.290 119.211 120.500 0.002 0.000 2.517 48 R HA 0.238 4.577 4.340 -0.000 0.000 0.265 48 R C 1.019 177.317 176.300 -0.003 0.000 0.921 48 R CA -0.445 55.653 56.100 -0.004 0.000 1.054 48 R CB 0.226 30.521 30.300 -0.007 0.000 1.340 48 R HN 0.119 nan 8.270 nan 0.000 0.551 49 R N 1.087 121.587 120.500 0.001 0.000 2.298 49 R HA 0.091 4.431 4.340 -0.000 0.000 0.310 49 R C 0.007 176.308 176.300 0.002 0.000 1.068 49 R CA 0.188 56.289 56.100 0.002 0.000 0.957 49 R CB 0.819 31.122 30.300 0.005 0.000 1.003 49 R HN 0.214 nan 8.270 nan 0.000 0.454 50 N N 1.673 120.374 118.700 0.000 0.000 2.171 50 N HA 0.010 4.750 4.740 -0.000 0.000 0.212 50 N C 0.767 176.278 175.510 0.001 0.000 1.184 50 N CA 0.789 53.839 53.050 0.000 0.000 0.888 50 N CB 0.746 39.232 38.487 -0.002 0.000 1.038 50 N HN 0.760 nan 8.380 nan 0.000 0.517 51 G N 1.706 110.507 108.800 0.001 0.000 4.013 51 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.255 51 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.255 51 G C -1.300 173.600 174.900 0.001 0.000 1.765 51 G CA 0.323 45.424 45.100 0.002 0.000 1.396 51 G HN 0.384 nan 8.290 nan 0.000 0.605 52 P HA 0.113 nan 4.420 nan 0.000 0.215 52 P C 0.685 177.983 177.300 -0.002 0.000 1.157 52 P CA 1.812 64.912 63.100 -0.001 0.000 0.856 52 P CB -0.060 31.640 31.700 -0.001 0.000 0.786 53 Q N 0.635 120.433 119.800 -0.003 0.000 2.377 53 Q HA 0.605 4.945 4.340 -0.000 0.000 0.271 53 Q C -0.653 175.344 176.000 -0.005 0.000 1.077 53 Q CA -1.308 54.492 55.803 -0.005 0.000 0.820 53 Q CB 2.090 30.825 28.738 -0.005 0.000 1.347 53 Q HN 0.075 nan 8.270 nan 0.000 0.444 54 I N -1.308 119.257 120.570 -0.007 0.000 2.377 54 I HA 0.430 4.599 4.170 -0.000 0.000 0.293 54 I C -0.393 175.718 176.117 -0.011 0.000 0.987 54 I CA -0.601 60.694 61.300 -0.008 0.000 1.185 54 I CB 1.557 39.551 38.000 -0.010 0.000 1.341 54 I HN 0.459 nan 8.210 nan 0.000 0.455 55 E N 6.631 126.824 120.200 -0.011 0.000 2.392 55 E HA 0.299 4.649 4.350 -0.000 0.000 0.259 55 E C -2.297 174.292 176.600 -0.018 0.000 1.108 55 E CA -1.707 54.684 56.400 -0.014 0.000 0.916 55 E CB -0.091 29.601 29.700 -0.015 0.000 0.989 55 E HN 0.546 nan 8.360 nan 0.000 0.432 56 P HA 0.108 nan 4.420 nan 0.000 0.275 56 P C -0.046 177.235 177.300 -0.032 0.000 1.228 56 P CA -0.276 62.809 63.100 -0.025 0.000 0.786 56 P CB 0.617 32.302 31.700 -0.024 0.000 0.927 57 G N 2.677 111.456 108.800 -0.035 0.000 2.444 57 G HA2 0.334 4.293 3.960 -0.000 0.000 0.268 57 G HA3 0.334 4.293 3.960 -0.000 0.000 0.268 57 G C -0.225 174.639 174.900 -0.061 0.000 1.203 57 G CA -0.463 44.610 45.100 -0.045 0.000 0.835 57 G HN 0.327 nan 8.290 nan 0.000 0.543 58 K N 1.871 122.218 120.400 -0.088 0.000 2.211 58 K HA 0.356 4.676 4.320 -0.000 0.000 0.237 58 K C -1.553 174.948 176.600 -0.165 0.000 1.002 58 K CA -1.980 54.237 56.287 -0.118 0.000 0.885 58 K CB 2.452 34.871 32.500 -0.135 0.000 1.136 58 K HN 0.203 nan 8.250 nan 0.000 0.448 59 P HA -0.075 nan 4.420 nan 0.000 0.219 59 P C -0.449 176.565 177.300 -0.476 0.000 1.150 59 P CA 1.243 64.206 63.100 -0.228 0.000 0.814 59 P CB 0.646 32.244 31.700 -0.171 0.000 0.787 60 E N -0.260 119.554 120.200 -0.644 0.000 2.256 60 E HA 0.454 4.804 4.350 -0.000 0.000 0.267 60 E C -0.523 175.604 176.600 -0.789 0.000 0.892 60 E CA -0.631 55.008 56.400 -1.268 0.000 0.775 60 E CB 1.737 30.736 29.700 -1.169 0.000 1.207 60 E HN -0.028 nan 8.360 nan 0.000 0.420 61 N N 3.175 121.376 118.700 -0.832 0.000 3.153 61 N HA 0.072 4.812 4.740 -0.000 0.000 0.208 61 N C -2.225 173.418 175.510 0.223 0.000 1.462 61 N CA -1.118 51.832 53.050 -0.167 0.000 0.754 61 N CB 0.931 39.358 38.487 -0.101 0.000 1.558 61 N HN 0.226 nan 8.380 nan 0.000 0.605 62 P HA -0.260 nan 4.420 nan 0.000 0.216 62 P C 0.960 178.378 177.300 0.196 0.000 1.154 62 P CA 1.318 64.623 63.100 0.342 0.000 0.865 62 P CB 0.388 32.227 31.700 0.232 0.000 0.789 63 E N 0.120 120.396 120.200 0.127 0.000 2.077 63 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 63 E C 2.120 178.775 176.600 0.091 0.000 0.989 63 E CA 1.315 57.765 56.400 0.084 0.000 0.800 63 E CB -0.439 29.294 29.700 0.054 0.000 0.746 63 E HN 0.144 nan 8.360 nan 0.000 0.452 64 A N 1.195 124.082 122.820 0.112 0.000 1.898 64 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 64 A C 2.397 180.063 177.584 0.137 0.000 1.181 64 A CA 1.710 53.813 52.037 0.110 0.000 0.620 64 A CB -0.718 18.345 19.000 0.106 0.000 0.819 64 A HN 0.414 nan 8.150 nan 0.000 0.442 65 A N 0.096 123.044 122.820 0.213 0.000 1.908 65 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 65 A C 1.822 179.438 177.584 0.053 0.000 1.181 65 A CA 2.063 54.184 52.037 0.140 0.000 0.627 65 A CB -0.665 18.394 19.000 0.098 0.000 0.818 65 A HN 0.465 nan 8.150 nan 0.000 0.445 66 D N -0.279 120.155 120.400 0.056 0.000 2.088 66 D HA -0.147 4.493 4.640 -0.000 0.000 0.191 66 D C 1.951 178.266 176.300 0.024 0.000 0.992 66 D CA 1.648 55.663 54.000 0.026 0.000 0.831 66 D CB -0.303 40.514 40.800 0.029 0.000 0.973 66 D HN 0.233 nan 8.370 nan 0.000 0.447 67 K N 0.097 120.519 120.400 0.035 0.000 2.059 67 K HA -0.135 4.185 4.320 -0.000 0.000 0.212 67 K C 2.012 178.631 176.600 0.031 0.000 1.050 67 K CA 0.514 56.819 56.287 0.031 0.000 0.927 67 K CB -0.670 31.852 32.500 0.037 0.000 0.714 67 K HN 0.045 nan 8.250 nan 0.000 0.447 68 L N 0.158 121.405 121.223 0.040 0.000 2.017 68 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 68 L C 2.148 179.031 176.870 0.023 0.000 1.073 68 L CA 2.027 56.889 54.840 0.037 0.000 0.745 68 L CB -1.111 40.979 42.059 0.052 0.000 0.894 68 L HN 0.217 nan 8.230 nan 0.000 0.432 69 A N -0.897 121.930 122.820 0.011 0.000 1.883 69 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 69 A C 2.059 179.642 177.584 -0.002 0.000 1.186 69 A CA 1.995 54.029 52.037 -0.004 0.000 0.624 69 A CB -0.749 18.235 19.000 -0.027 0.000 0.822 69 A HN 0.415 nan 8.150 nan 0.000 0.444 70 D N -0.833 119.567 120.400 0.001 0.000 2.149 70 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 70 D C 1.925 178.233 176.300 0.013 0.000 0.990 70 D CA 1.595 55.596 54.000 0.002 0.000 0.839 70 D CB -0.221 40.582 40.800 0.005 0.000 0.948 70 D HN 0.578 nan 8.370 nan 0.000 0.460 71 E N 0.122 120.335 120.200 0.021 0.000 2.072 71 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 71 E C 2.043 178.662 176.600 0.032 0.000 0.985 71 E CA 0.518 56.935 56.400 0.029 0.000 0.801 71 E CB -0.087 29.631 29.700 0.031 0.000 0.750 71 E HN 0.025 nan 8.360 nan 0.000 0.452 72 V N 0.843 120.773 119.914 0.027 0.000 2.392 72 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 72 V C 2.340 178.455 176.094 0.036 0.000 1.059 72 V CA 1.819 64.138 62.300 0.032 0.000 1.051 72 V CB -0.972 30.868 31.823 0.029 0.000 0.658 72 V HN 0.438 nan 8.190 nan 0.000 0.455 73 A N -1.599 121.233 122.820 0.020 0.000 1.933 73 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 73 A C 1.685 179.292 177.584 0.039 0.000 1.175 73 A CA 1.229 53.272 52.037 0.010 0.000 0.628 73 A CB -0.728 18.259 19.000 -0.021 0.000 0.814 73 A HN 0.555 nan 8.150 nan 0.000 0.444 77 N N 1.226 120.050 118.700 0.208 0.000 2.409 77 N HA 0.004 4.744 4.740 -0.000 0.000 0.179 77 N C 0.994 176.876 175.510 0.621 0.000 1.032 77 N CA 1.521 54.789 53.050 0.363 0.000 0.898 77 N CB -0.030 38.569 38.487 0.187 0.000 0.971 77 N HN 0.698 nan 8.380 nan 0.000 0.441 78 T N 1.326 116.128 114.554 0.413 0.000 2.856 78 T HA 0.269 4.619 4.350 -0.000 0.000 0.292 78 T C -2.671 172.125 174.700 0.160 0.000 0.980 78 T CA -1.795 60.497 62.100 0.319 0.000 1.091 78 T CB 1.778 70.681 68.868 0.059 0.000 0.936 78 T HN -0.065 nan 8.240 nan 0.000 0.503 79 P HA 0.244 nan 4.420 nan 0.000 0.266 79 P C 1.012 178.314 177.300 0.003 0.000 1.195 79 P CA 0.790 63.898 63.100 0.014 0.000 0.768 79 P CB 0.488 32.171 31.700 -0.030 0.000 0.838 80 G N 1.403 110.219 108.800 0.026 0.000 2.199 80 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.254 80 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.254 80 G C 0.667 175.592 174.900 0.042 0.000 0.982 80 G CA 0.365 45.480 45.100 0.024 0.000 0.632 80 G HN 0.966 nan 8.290 nan 0.000 0.529 81 G N -0.744 108.093 108.800 0.060 0.000 2.581 81 G HA2 0.401 4.361 3.960 -0.000 0.000 0.289 81 G HA3 0.401 4.361 3.960 -0.000 0.000 0.289 81 G C 1.181 176.116 174.900 0.059 0.000 1.303 81 G CA 1.187 46.333 45.100 0.075 0.000 0.931 81 G HN 2.584 nan 8.290 nan 0.000 0.555 82 G N -2.734 106.112 108.800 0.077 0.000 2.427 82 G HA2 0.838 4.798 3.960 -0.000 0.000 0.306 82 G HA3 0.838 4.798 3.960 -0.000 0.000 0.306 82 G C -0.749 174.213 174.900 0.104 0.000 1.280 82 G CA 0.781 45.926 45.100 0.074 0.000 0.837 82 G HN 2.396 nan 8.290 nan 0.000 0.482 83 A N -1.003 121.866 122.820 0.081 0.000 2.401 83 A HA 0.880 5.199 4.320 -0.000 0.000 0.310 83 A C -1.503 176.066 177.584 -0.024 0.000 1.075 83 A CA -0.503 51.548 52.037 0.024 0.000 0.746 83 A CB 1.784 20.836 19.000 0.086 0.000 1.277 83 A HN 0.907 nan 8.150 nan 0.000 0.425 84 L N 1.453 122.621 121.223 -0.091 0.000 2.362 84 L HA 0.586 4.925 4.340 -0.000 0.000 0.271 84 L C -0.584 176.256 176.870 -0.050 0.000 1.002 84 L CA 0.031 54.853 54.840 -0.030 0.000 0.818 84 L CB 1.823 43.870 42.059 -0.021 0.000 1.298 84 L HN 0.606 nan 8.230 nan 0.000 0.420 85 I N 3.350 123.951 120.570 0.051 0.000 2.405 85 I HA 0.316 4.486 4.170 -0.000 0.000 0.280 85 I C -0.569 175.553 176.117 0.007 0.000 1.027 85 I CA -0.762 60.545 61.300 0.012 0.000 1.161 85 I CB 1.598 39.621 38.000 0.037 0.000 1.300 85 I HN 0.152 nan 8.210 nan 0.000 0.463 86 V N 5.647 125.552 119.914 -0.014 0.000 2.488 86 V HA 0.482 4.602 4.120 -0.000 0.000 0.277 86 V C 1.073 177.151 176.094 -0.027 0.000 1.046 86 V CA 0.768 63.066 62.300 -0.004 0.000 0.986 86 V CB 0.935 32.763 31.823 0.008 0.000 0.989 86 V HN 1.109 nan 8.190 nan 0.000 0.475 87 G N 5.065 113.845 108.800 -0.032 0.000 2.175 87 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.182 87 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.182 87 G C -0.592 174.250 174.900 -0.096 0.000 1.003 87 G CA -0.428 44.641 45.100 -0.052 0.000 0.666 87 G HN 0.516 nan 8.290 nan 0.000 0.506 88 I N 1.379 121.873 120.570 -0.126 0.000 2.447 88 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 88 I C 0.294 176.340 176.117 -0.117 0.000 1.023 88 I CA -1.320 59.841 61.300 -0.231 0.000 1.083 88 I CB 1.896 39.541 38.000 -0.591 0.000 1.245 88 I HN 0.255 nan 8.210 nan 0.000 0.434 89 E N 4.153 124.307 120.200 -0.076 0.000 2.452 89 E HA -0.072 4.278 4.350 -0.000 0.000 0.261 89 E C -0.440 176.210 176.600 0.083 0.000 0.987 89 E CA -0.105 56.298 56.400 0.004 0.000 0.926 89 E CB 0.549 30.249 29.700 -0.000 0.000 0.934 89 E HN 0.549 nan 8.360 nan 0.000 0.452 90 D N 3.756 124.226 120.400 0.117 0.000 2.423 90 D HA -0.039 4.601 4.640 -0.000 0.000 0.238 90 D C 0.349 176.737 176.300 0.148 0.000 1.142 90 D CA 0.796 54.898 54.000 0.170 0.000 0.884 90 D CB 0.517 41.380 40.800 0.104 0.000 1.199 90 D HN 0.639 nan 8.370 nan 0.000 0.438 91 K N -0.139 120.358 120.400 0.163 0.000 6.581 91 K HA -0.333 3.987 4.320 -0.000 0.000 0.456 91 K C 1.701 178.377 176.600 0.126 0.000 0.402 91 K CA 2.109 58.459 56.287 0.104 0.000 1.893 91 K CB -1.879 30.653 32.500 0.054 0.000 0.843 91 K HN 0.701 nan 8.250 nan 0.000 0.751 92 T N -2.897 111.726 114.554 0.114 0.000 2.770 92 T HA 0.147 4.497 4.350 -0.000 0.000 0.258 92 T C 1.586 176.351 174.700 0.109 0.000 1.039 92 T CA 1.973 64.124 62.100 0.085 0.000 1.143 92 T CB 0.128 69.024 68.868 0.048 0.000 0.866 92 T HN 0.973 nan 8.240 nan 0.000 0.428 93 G N 1.427 110.291 108.800 0.107 0.000 2.163 93 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.213 93 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.213 93 G C 0.104 174.937 174.900 -0.112 0.000 0.991 93 G CA -0.181 44.914 45.100 -0.008 0.000 0.653 93 G HN 0.730 nan 8.290 nan 0.000 0.518 94 R N -0.231 120.234 120.500 -0.058 0.000 2.489 94 R HA 0.400 4.740 4.340 -0.000 0.000 0.287 94 R C 0.419 176.660 176.300 -0.097 0.000 1.053 94 R CA -0.208 55.855 56.100 -0.062 0.000 1.036 94 R CB 0.491 30.773 30.300 -0.030 0.000 0.966 94 R HN 0.251 nan 8.270 nan 0.000 0.432 95 I N 4.402 124.916 120.570 -0.093 0.000 2.452 95 I HA -0.089 4.081 4.170 -0.000 0.000 0.287 95 I C 1.096 177.173 176.117 -0.066 0.000 1.079 95 I CA 0.456 61.698 61.300 -0.098 0.000 1.387 95 I CB 0.701 38.651 38.000 -0.083 0.000 1.404 95 I HN 0.593 nan 8.210 nan 0.000 0.522 96 I N 3.596 124.127 120.570 -0.065 0.000 3.443 96 I HA 0.420 4.590 4.170 -0.000 0.000 0.277 96 I C 1.159 177.252 176.117 -0.039 0.000 1.169 96 I CA 0.663 61.937 61.300 -0.043 0.000 1.419 96 I CB -1.414 36.565 38.000 -0.035 0.000 1.331 96 I HN 0.723 nan 8.210 nan 0.000 0.458 97 G N 1.007 109.781 108.800 -0.045 0.000 2.661 97 G HA2 0.012 3.972 3.960 -0.000 0.000 0.685 97 G HA3 0.012 3.972 3.960 -0.000 0.000 0.685 97 G C -0.312 174.572 174.900 -0.027 0.000 1.298 97 G CA -0.121 44.958 45.100 -0.036 0.000 0.855 97 G HN 0.466 nan 8.290 nan 0.000 0.560 98 T N -1.041 113.500 114.554 -0.022 0.000 3.047 98 T HA 0.568 4.918 4.350 -0.000 0.000 0.340 98 T C -0.276 174.415 174.700 -0.016 0.000 1.421 98 T CA 0.221 62.311 62.100 -0.016 0.000 1.090 98 T CB 1.667 70.532 68.868 -0.004 0.000 1.292 98 T HN 0.608 nan 8.240 nan 0.000 0.480 99 E N 3.245 123.430 120.200 -0.025 0.000 2.501 99 E HA 0.237 4.587 4.350 -0.000 0.000 0.200 99 E C 0.451 177.029 176.600 -0.037 0.000 1.016 99 E CA -0.193 56.189 56.400 -0.030 0.000 0.921 99 E CB 0.270 29.945 29.700 -0.042 0.000 1.034 99 E HN 0.625 nan 8.360 nan 0.000 0.468 100 L N 2.193 123.402 121.223 -0.023 0.000 2.578 100 L HA -0.052 4.288 4.340 -0.000 0.000 0.279 100 L C 0.691 177.589 176.870 0.046 0.000 1.227 100 L CA 0.147 54.982 54.840 -0.009 0.000 0.900 100 L CB -0.011 42.095 42.059 0.080 0.000 1.144 100 L HN -0.084 nan 8.230 nan 0.000 0.496 101 D N 2.634 123.065 120.400 0.052 0.000 2.390 101 D HA 0.070 4.710 4.640 -0.000 0.000 0.249 101 D C 1.213 177.633 176.300 0.200 0.000 1.144 101 D CA -0.360 53.707 54.000 0.112 0.000 0.880 101 D CB 0.866 41.734 40.800 0.112 0.000 1.182 101 D HN 0.238 nan 8.370 nan 0.000 0.451 102 I N 3.123 123.771 120.570 0.130 0.000 2.069 102 I HA -0.261 3.909 4.170 -0.000 0.000 0.237 102 I C 1.617 177.808 176.117 0.125 0.000 1.053 102 I CA 1.357 62.726 61.300 0.115 0.000 1.311 102 I CB -0.843 37.201 38.000 0.073 0.000 1.030 102 I HN 0.594 nan 8.210 nan 0.000 0.398 103 D N -0.320 120.148 120.400 0.114 0.000 2.133 103 D HA -0.260 4.380 4.640 -0.000 0.000 0.195 103 D C 1.919 178.289 176.300 0.116 0.000 0.997 103 D CA 1.443 55.496 54.000 0.090 0.000 0.840 103 D CB -0.414 40.435 40.800 0.082 0.000 0.947 103 D HN 0.519 nan 8.370 nan 0.000 0.452 104 W N 1.507 122.816 121.300 0.015 0.000 2.332 104 W HA -0.219 4.441 4.660 -0.000 0.000 0.321 104 W C 2.234 178.768 176.519 0.026 0.000 1.219 104 W CA 1.141 58.498 57.345 0.019 0.000 1.277 104 W CB -0.626 28.844 29.460 0.016 0.000 1.161 104 W HN -0.029 nan 8.180 nan 0.000 0.476 105 L N 1.511 122.894 121.223 0.266 0.000 2.017 105 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 105 L C 2.583 179.394 176.870 -0.098 0.000 1.073 105 L CA 2.120 56.982 54.840 0.037 0.000 0.745 105 L CB -1.221 40.990 42.059 0.254 0.000 0.894 105 L HN -0.002 nan 8.230 nan 0.000 0.432 106 R N -0.911 119.577 120.500 -0.020 0.000 2.082 106 R HA -0.258 4.082 4.340 -0.000 0.000 0.234 106 R C 2.364 178.634 176.300 -0.050 0.000 1.136 106 R CA 1.973 58.059 56.100 -0.024 0.000 0.935 106 R CB -0.478 29.814 30.300 -0.014 0.000 0.842 106 R HN 0.478 nan 8.270 nan 0.000 0.430 107 Q N -0.125 119.619 119.800 -0.093 0.000 2.135 107 Q HA -0.106 4.233 4.340 -0.000 0.000 0.204 107 Q C 1.803 177.721 176.000 -0.136 0.000 0.981 107 Q CA 2.095 57.853 55.803 -0.075 0.000 0.856 107 Q CB -0.550 28.127 28.738 -0.102 0.000 0.902 107 Q HN 0.407 nan 8.270 nan 0.000 0.425 108 G N 0.365 108.932 108.800 -0.389 0.000 2.402 108 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 108 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 108 G C 1.445 176.189 174.900 -0.260 0.000 1.162 108 G CA 0.893 45.687 45.100 -0.511 0.000 0.777 108 G HN 0.419 nan 8.290 nan 0.000 0.539 109 I N -0.404 120.067 120.570 -0.165 0.000 2.252 109 I HA -0.062 4.108 4.170 -0.000 0.000 0.245 109 I C 2.386 178.494 176.117 -0.016 0.000 1.102 109 I CA 0.744 62.003 61.300 -0.068 0.000 1.385 109 I CB -0.239 37.750 38.000 -0.017 0.000 1.064 109 I HN 0.158 nan 8.210 nan 0.000 0.414 110 F N 1.681 121.561 119.950 -0.116 0.000 2.202 110 F HA -0.245 4.282 4.527 -0.000 0.000 0.301 110 F C 2.395 178.137 175.800 -0.096 0.000 1.082 110 F CA 1.782 59.727 58.000 -0.091 0.000 1.313 110 F CB -0.515 38.434 39.000 -0.084 0.000 1.024 110 F HN -0.052 nan 8.300 nan 0.000 0.495 111 T N 1.304 115.765 114.554 -0.154 0.000 2.904 111 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 111 T C 1.953 176.510 174.700 -0.238 0.000 1.059 111 T CA 1.341 63.300 62.100 -0.234 0.000 1.137 111 T CB -0.142 68.651 68.868 -0.126 0.000 0.879 111 T HN 0.369 nan 8.240 nan 0.000 0.467 112 R N 0.363 120.752 120.500 -0.184 0.000 2.308 112 R HA 0.365 4.705 4.340 -0.000 0.000 0.202 112 R C 1.737 177.949 176.300 -0.145 0.000 0.898 112 R CA 0.301 56.312 56.100 -0.148 0.000 1.046 112 R CB -0.250 29.988 30.300 -0.102 0.000 1.026 112 R HN 0.378 nan 8.270 nan 0.000 0.512 113 I N 0.456 120.930 120.570 -0.160 0.000 4.323 113 I HA 0.094 4.264 4.170 -0.000 0.000 0.328 113 I C -0.559 175.460 176.117 -0.163 0.000 1.310 113 I CA 0.396 61.620 61.300 -0.126 0.000 1.186 113 I CB 0.703 38.661 38.000 -0.069 0.000 1.130 113 I HN -0.043 nan 8.210 nan 0.000 0.411 114 D N 0.996 121.219 120.400 -0.294 0.000 3.103 114 D HA -0.130 4.510 4.640 -0.000 0.000 0.211 114 D C -0.373 175.849 176.300 -0.130 0.000 1.100 114 D CA 1.113 54.876 54.000 -0.394 0.000 0.961 114 D CB -1.054 39.605 40.800 -0.235 0.000 1.093 114 D HN 0.254 nan 8.370 nan 0.000 0.427 115 V N -1.641 118.307 119.914 0.058 0.000 2.888 115 V HA 0.863 4.983 4.120 -0.000 0.000 0.309 115 V C -1.244 175.056 176.094 0.342 0.000 1.114 115 V CA -0.068 62.381 62.300 0.248 0.000 0.940 115 V CB 2.258 34.148 31.823 0.112 0.000 1.021 115 V HN 0.307 nan 8.190 nan 0.000 0.426 116 A N 7.275 130.260 122.820 0.275 0.000 2.654 116 A HA 0.803 5.123 4.320 -0.000 0.000 0.345 116 A C -2.118 175.500 177.584 0.057 0.000 1.368 116 A CA -1.414 50.687 52.037 0.107 0.000 0.895 116 A CB -0.063 18.856 19.000 -0.135 0.000 1.143 116 A HN 0.843 nan 8.150 nan 0.000 0.490 117 P HA 0.142 nan 4.420 nan 0.000 0.272 117 P C -0.923 176.418 177.300 0.069 0.000 1.223 117 P CA -0.125 63.018 63.100 0.072 0.000 0.784 117 P CB 0.893 32.633 31.700 0.066 0.000 0.923 118 D N 0.914 121.378 120.400 0.107 0.000 2.338 118 D HA 0.152 4.792 4.640 -0.000 0.000 0.255 118 D C -0.336 176.049 176.300 0.142 0.000 1.237 118 D CA 0.190 54.268 54.000 0.131 0.000 0.883 118 D CB 1.082 41.988 40.800 0.177 0.000 1.087 118 D HN 0.041 nan 8.370 nan 0.000 0.485 119 V N 3.784 123.751 119.914 0.087 0.000 2.448 119 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 119 V C -0.566 175.570 176.094 0.069 0.000 1.025 119 V CA -0.541 61.787 62.300 0.047 0.000 0.859 119 V CB 1.689 33.530 31.823 0.029 0.000 0.988 119 V HN 0.283 nan 8.190 nan 0.000 0.431 120 V N 4.597 124.551 119.914 0.065 0.000 2.656 120 V HA 1.002 5.122 4.120 -0.000 0.000 0.307 120 V C 0.202 176.324 176.094 0.047 0.000 1.051 120 V CA -0.288 62.062 62.300 0.082 0.000 0.893 120 V CB 1.273 33.185 31.823 0.149 0.000 0.999 120 V HN 1.486 nan 8.190 nan 0.000 0.426 121 A N 4.076 126.922 122.820 0.042 0.000 2.332 121 A HA 0.833 5.153 4.320 -0.000 0.000 0.258 121 A C 0.089 177.690 177.584 0.029 0.000 1.087 121 A CA -0.348 51.705 52.037 0.027 0.000 0.802 121 A CB 0.520 19.535 19.000 0.025 0.000 1.042 121 A HN 0.914 nan 8.150 nan 0.000 0.489 122 K N 0.485 120.895 120.400 0.016 0.000 2.555 122 K HA 0.455 4.774 4.320 -0.000 0.000 0.279 122 K C -1.331 175.271 176.600 0.002 0.000 0.986 122 K CA -0.774 55.522 56.287 0.015 0.000 0.880 122 K CB 1.867 34.377 32.500 0.017 0.000 1.474 122 K HN 0.696 nan 8.250 nan 0.000 0.433 123 R N 1.662 122.163 120.500 0.002 0.000 2.435 123 R HA 0.294 4.634 4.340 -0.000 0.000 0.308 123 R C 0.732 177.026 176.300 -0.010 0.000 0.975 123 R CA -0.326 55.771 56.100 -0.006 0.000 0.867 123 R CB 1.338 31.637 30.300 -0.002 0.000 1.171 123 R HN 0.551 nan 8.270 nan 0.000 0.470 124 V N 1.049 120.951 119.914 -0.021 0.000 2.865 124 V HA 0.208 4.328 4.120 -0.000 0.000 0.163 124 V C 1.098 177.179 176.094 -0.021 0.000 1.150 124 V CA -0.073 62.212 62.300 -0.025 0.000 1.413 124 V CB -0.375 31.421 31.823 -0.044 0.000 1.014 124 V HN 0.421 nan 8.190 nan 0.000 0.453 125 L N 1.904 123.111 121.223 -0.026 0.000 2.930 125 L HA 0.506 4.846 4.340 -0.000 0.000 0.250 125 L C 1.520 178.379 176.870 -0.017 0.000 1.320 125 L CA 1.317 56.145 54.840 -0.020 0.000 1.163 125 L CB -0.700 41.346 42.059 -0.023 0.000 1.542 125 L HN 1.042 nan 8.230 nan 0.000 0.428 126 G N -2.556 106.234 108.800 -0.015 0.000 2.258 126 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.233 126 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.233 126 G C 0.575 175.466 174.900 -0.016 0.000 1.006 126 G CA -0.435 44.657 45.100 -0.013 0.000 0.620 126 G HN 0.323 nan 8.290 nan 0.000 0.511 127 Q N 0.494 120.281 119.800 -0.021 0.000 2.368 127 Q HA 0.486 4.826 4.340 -0.000 0.000 0.237 127 Q C 0.553 176.539 176.000 -0.024 0.000 0.987 127 Q CA -0.249 55.539 55.803 -0.025 0.000 0.896 127 Q CB 1.134 29.852 28.738 -0.033 0.000 1.241 127 Q HN 0.610 nan 8.270 nan 0.000 0.485 128 R N 0.531 121.018 120.500 -0.022 0.000 2.428 128 R HA 0.565 4.905 4.340 -0.000 0.000 0.294 128 R C -0.785 175.501 176.300 -0.024 0.000 1.000 128 R CA -0.462 55.627 56.100 -0.018 0.000 0.960 128 R CB 0.870 31.163 30.300 -0.012 0.000 1.076 128 R HN 0.469 nan 8.270 nan 0.000 0.475 129 V N 1.443 121.344 119.914 -0.022 0.000 3.049 129 V HA 0.522 4.642 4.120 -0.000 0.000 0.309 129 V C -1.566 174.516 176.094 -0.020 0.000 1.148 129 V CA -1.279 61.003 62.300 -0.029 0.000 0.990 129 V CB 2.070 33.862 31.823 -0.052 0.000 1.039 129 V HN 0.478 nan 8.190 nan 0.000 0.430 130 L N 3.209 124.420 121.223 -0.021 0.000 2.282 130 L HA 0.829 5.169 4.340 -0.000 0.000 0.288 130 L C 0.599 177.431 176.870 -0.063 0.000 1.033 130 L CA -0.392 54.435 54.840 -0.022 0.000 0.807 130 L CB 1.055 43.114 42.059 -0.000 0.000 1.209 130 L HN 1.109 nan 8.230 nan 0.000 0.423 131 A N 6.211 128.973 122.820 -0.097 0.000 2.252 131 A HA 0.686 5.006 4.320 -0.000 0.000 0.309 131 A C -0.162 177.198 177.584 -0.372 0.000 1.285 131 A CA -0.331 51.555 52.037 -0.252 0.000 0.900 131 A CB -0.057 18.804 19.000 -0.232 0.000 1.157 131 A HN 0.633 nan 8.150 nan 0.000 0.536 132 I N 2.877 123.221 120.570 -0.377 0.000 2.339 132 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 132 I C -1.201 174.691 176.117 -0.375 0.000 0.994 132 I CA -0.465 60.672 61.300 -0.272 0.000 1.191 132 I CB 1.156 39.096 38.000 -0.099 0.000 1.343 132 I HN 0.585 nan 8.210 nan 0.000 0.458 133 Y N 5.894 126.218 120.300 0.040 0.000 2.385 133 Y HA 0.423 4.973 4.550 -0.000 0.000 0.341 133 Y C 0.100 176.023 175.900 0.039 0.000 0.965 133 Y CA -0.797 57.325 58.100 0.038 0.000 1.180 133 Y CB 1.581 40.060 38.460 0.033 0.000 1.139 133 Y HN 0.296 nan 8.280 nan 0.000 0.502 134 V N 3.540 123.548 119.914 0.157 0.000 2.417 134 V HA 0.919 5.039 4.120 -0.000 0.000 0.291 134 V C -0.258 175.907 176.094 0.119 0.000 1.024 134 V CA -0.609 61.762 62.300 0.118 0.000 0.861 134 V CB 0.809 32.681 31.823 0.081 0.000 0.985 134 V HN 0.836 nan 8.190 nan 0.000 0.436 135 A N 5.612 128.497 122.820 0.108 0.000 2.286 135 A HA 0.880 5.200 4.320 -0.000 0.000 0.286 135 A C 0.658 178.304 177.584 0.103 0.000 1.097 135 A CA -0.107 51.989 52.037 0.098 0.000 0.821 135 A CB 0.917 19.969 19.000 0.086 0.000 1.076 135 A HN 2.151 nan 8.150 nan 0.000 0.490 136 A N 0.721 123.603 122.820 0.103 0.000 2.520 136 A HA 0.504 4.824 4.320 -0.000 0.000 0.245 136 A C 0.819 178.491 177.584 0.146 0.000 1.072 136 A CA 0.376 52.489 52.037 0.128 0.000 0.761 136 A CB -0.582 18.482 19.000 0.107 0.000 1.004 136 A HN 2.056 nan 8.150 nan 0.000 0.499 137 A N 2.045 124.976 122.820 0.186 0.000 2.371 137 A HA 0.535 4.855 4.320 -0.000 0.000 0.257 137 A C 1.330 179.056 177.584 0.237 0.000 1.089 137 A CA 0.191 52.332 52.037 0.174 0.000 0.794 137 A CB 0.164 19.236 19.000 0.120 0.000 1.029 137 A HN 1.965 nan 8.150 nan 0.000 0.488 138 A N 1.236 124.176 122.820 0.199 0.000 2.206 138 A HA 0.303 4.623 4.320 -0.000 0.000 0.211 138 A C 0.637 178.430 177.584 0.348 0.000 1.158 138 A CA 1.140 53.326 52.037 0.249 0.000 0.761 138 A CB -0.417 18.702 19.000 0.198 0.000 0.801 138 A HN 0.931 nan 8.150 nan 0.000 0.473 139 E N -0.877 119.450 120.200 0.212 0.000 2.407 139 E HA 0.398 4.748 4.350 -0.000 0.000 0.279 139 E C -3.262 173.012 176.600 -0.543 0.000 1.012 139 E CA -2.592 53.789 56.400 -0.031 0.000 0.800 139 E CB 1.087 30.910 29.700 0.205 0.000 1.276 139 E HN -0.053 nan 8.360 nan 0.000 0.452 140 P HA 0.018 nan 4.420 nan 0.000 0.264 140 P C -0.320 176.688 177.300 -0.487 0.000 1.183 140 P CA 0.067 62.478 63.100 -1.148 0.000 0.763 140 P CB 0.361 31.373 31.700 -1.146 0.000 0.807 141 I N 2.902 123.250 120.570 -0.369 0.000 2.359 141 I HA 0.287 4.457 4.170 -0.000 0.000 0.284 141 I C 0.904 176.917 176.117 -0.173 0.000 1.018 141 I CA -0.790 60.395 61.300 -0.193 0.000 1.173 141 I CB 0.193 38.129 38.000 -0.106 0.000 1.326 141 I HN 0.315 nan 8.210 nan 0.000 0.462 142 E N 4.046 124.157 120.200 -0.148 0.000 2.354 142 E HA 0.135 4.485 4.350 -0.000 0.000 0.269 142 E C -0.253 176.294 176.600 -0.090 0.000 1.036 142 E CA -0.404 55.924 56.400 -0.120 0.000 0.876 142 E CB 1.081 30.720 29.700 -0.101 0.000 1.009 142 E HN 0.555 nan 8.360 nan 0.000 0.416 143 D N 0.422 120.779 120.400 -0.072 0.000 2.478 143 D HA -0.048 4.592 4.640 -0.000 0.000 0.274 143 D C 1.137 177.406 176.300 -0.052 0.000 1.234 143 D CA -0.192 53.775 54.000 -0.054 0.000 1.069 143 D CB -0.151 40.627 40.800 -0.037 0.000 1.113 143 D HN 0.432 nan 8.370 nan 0.000 0.571 144 T N -3.150 111.378 114.554 -0.043 0.000 2.897 144 T HA -0.138 4.211 4.350 -0.000 0.000 0.271 144 T C 1.339 176.018 174.700 -0.034 0.000 1.084 144 T CA 1.222 63.298 62.100 -0.040 0.000 1.123 144 T CB -0.572 68.278 68.868 -0.029 0.000 0.865 144 T HN 0.250 nan 8.240 nan 0.000 0.496 145 S N 0.925 116.607 115.700 -0.031 0.000 2.582 145 S HA 0.243 4.713 4.470 -0.000 0.000 0.234 145 S C -0.132 174.449 174.600 -0.032 0.000 0.961 145 S CA -0.276 57.908 58.200 -0.026 0.000 0.953 145 S CB -0.167 63.022 63.200 -0.019 0.000 0.800 145 S HN 0.449 nan 8.310 nan 0.000 0.471 146 D N 1.945 122.320 120.400 -0.042 0.000 2.772 146 D HA -0.136 4.504 4.640 -0.000 0.000 0.233 146 D C 0.057 176.327 176.300 -0.051 0.000 1.143 146 D CA 0.868 54.839 54.000 -0.048 0.000 0.700 146 D CB -0.773 40.003 40.800 -0.040 0.000 1.076 146 D HN 0.485 nan 8.370 nan 0.000 0.430 147 R N -0.144 120.323 120.500 -0.054 0.000 2.787 147 R HA 0.709 5.049 4.340 -0.000 0.000 0.271 147 R C -0.200 176.047 176.300 -0.088 0.000 0.993 147 R CA -1.085 54.980 56.100 -0.059 0.000 0.993 147 R CB 1.585 31.861 30.300 -0.040 0.000 1.155 147 R HN 0.027 nan 8.270 nan 0.000 0.486 148 L N 2.818 123.973 121.223 -0.113 0.000 2.401 148 L HA 0.402 4.742 4.340 -0.000 0.000 0.263 148 L C -0.869 175.895 176.870 -0.178 0.000 1.004 148 L CA -0.203 54.530 54.840 -0.179 0.000 0.881 148 L CB 0.455 42.369 42.059 -0.242 0.000 1.219 148 L HN 0.629 nan 8.230 nan 0.000 0.441 149 R N 2.824 123.260 120.500 -0.108 0.000 2.837 149 R HA 0.812 5.152 4.340 -0.000 0.000 0.271 149 R C -1.724 174.648 176.300 0.119 0.000 0.993 149 R CA -0.763 55.314 56.100 -0.039 0.000 0.931 149 R CB 1.634 31.953 30.300 0.031 0.000 1.206 149 R HN 0.493 nan 8.270 nan 0.000 0.474 150 W N -0.257 121.052 121.300 0.015 0.000 2.962 150 W HA 0.564 5.224 4.660 -0.000 0.000 0.341 150 W C -0.566 175.951 176.519 -0.003 0.000 1.155 150 W CA -1.836 55.523 57.345 0.023 0.000 1.165 150 W CB 0.222 29.718 29.460 0.061 0.000 1.435 150 W HN 0.318 nan 8.180 nan 0.000 0.546 151 R N 1.580 122.165 120.500 0.140 0.000 2.538 151 R HA 0.218 4.557 4.340 -0.000 0.000 0.282 151 R C 0.272 176.457 176.300 -0.192 0.000 1.009 151 R CA 0.177 56.263 56.100 -0.023 0.000 1.063 151 R CB 0.745 31.021 30.300 -0.040 0.000 0.945 151 R HN 0.634 nan 8.270 nan 0.000 0.414 152 V N 2.565 122.400 119.914 -0.131 0.000 4.255 152 V HA 0.226 4.345 4.120 -0.000 0.000 0.186 152 V C 1.622 177.636 176.094 -0.134 0.000 1.068 152 V CA 0.992 63.180 62.300 -0.187 0.000 1.418 152 V CB -0.609 31.146 31.823 -0.114 0.000 1.876 152 V HN 0.862 nan 8.190 nan 0.000 0.469 153 G N -0.240 108.508 108.800 -0.086 0.000 3.056 153 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.175 153 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.175 153 G C 0.718 175.573 174.900 -0.076 0.000 1.894 153 G CA 1.097 46.151 45.100 -0.077 0.000 0.910 153 G HN 0.519 nan 8.290 nan 0.000 0.462 154 D N -0.976 119.387 120.400 -0.061 0.000 2.367 154 D HA 0.133 4.772 4.640 -0.000 0.000 0.207 154 D C 1.246 177.524 176.300 -0.036 0.000 1.034 154 D CA 0.566 54.527 54.000 -0.064 0.000 0.861 154 D CB 0.154 40.916 40.800 -0.064 0.000 0.943 154 D HN 0.329 nan 8.370 nan 0.000 0.515 155 S N -0.906 114.780 115.700 -0.023 0.000 2.689 155 S HA 0.656 5.126 4.470 -0.000 0.000 0.306 155 S C -0.219 174.387 174.600 0.010 0.000 1.104 155 S CA -0.787 57.413 58.200 -0.000 0.000 0.973 155 S CB 1.427 64.631 63.200 0.007 0.000 1.121 155 S HN 0.340 nan 8.310 nan 0.000 0.523 156 c N 0.554 119.177 118.600 0.038 0.000 2.396 156 c HA 0.853 5.423 4.570 -0.000 0.000 0.321 156 c C -0.186 173.968 174.090 0.106 0.000 1.233 156 c CA -1.009 55.367 56.329 0.079 0.000 1.440 156 c CB 0.006 42.574 42.510 0.097 0.000 2.110 156 c HN 1.005 nan 8.230 nan 0.000 0.473 157 R N 2.829 123.423 120.500 0.158 0.000 2.596 157 R HA 0.760 5.100 4.340 -0.000 0.000 0.267 157 R C -2.497 173.906 176.300 0.172 0.000 1.026 157 R CA -1.380 54.809 56.100 0.148 0.000 1.087 157 R CB 0.961 31.349 30.300 0.146 0.000 1.132 157 R HN 0.616 nan 8.270 nan 0.000 0.531 158 P HA 0.151 nan 4.420 nan 0.000 0.281 158 P C -1.038 176.214 177.300 -0.081 0.000 1.249 158 P CA -0.335 62.756 63.100 -0.016 0.000 0.810 158 P CB 1.303 32.994 31.700 -0.015 0.000 1.008 159 V N -1.525 118.244 119.914 -0.241 0.000 2.888 159 V HA 0.460 4.580 4.120 -0.000 0.000 0.309 159 V C -0.601 175.356 176.094 -0.227 0.000 1.114 159 V CA -1.358 60.752 62.300 -0.318 0.000 0.940 159 V CB 1.476 32.798 31.823 -0.835 0.000 1.021 159 V HN 0.597 nan 8.190 nan 0.000 0.426 160 D N 2.335 122.668 120.400 -0.112 0.000 2.339 160 D HA 0.358 4.998 4.640 -0.000 0.000 0.245 160 D C 0.984 177.288 176.300 0.007 0.000 1.115 160 D CA -0.587 53.391 54.000 -0.037 0.000 0.917 160 D CB 1.030 41.842 40.800 0.020 0.000 1.192 160 D HN 0.498 nan 8.370 nan 0.000 0.428 161 R N 1.181 121.721 120.500 0.066 0.000 2.117 161 R HA -0.218 4.122 4.340 -0.000 0.000 0.243 161 R C 2.168 178.684 176.300 0.360 0.000 1.143 161 R CA 1.499 57.727 56.100 0.213 0.000 0.968 161 R CB -0.620 29.842 30.300 0.270 0.000 0.863 161 R HN 0.680 nan 8.270 nan 0.000 0.444 162 A N 1.001 123.960 122.820 0.233 0.000 1.892 162 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 162 A C 2.037 179.760 177.584 0.232 0.000 1.188 162 A CA 1.804 53.969 52.037 0.212 0.000 0.631 162 A CB -0.483 18.591 19.000 0.123 0.000 0.822 162 A HN 0.421 nan 8.150 nan 0.000 0.447 163 E N -2.018 118.294 120.200 0.187 0.000 2.051 163 E HA -0.188 4.161 4.350 -0.000 0.000 0.189 163 E C 1.824 178.570 176.600 0.244 0.000 0.979 163 E CA 0.823 57.357 56.400 0.223 0.000 0.803 163 E CB -0.262 29.544 29.700 0.175 0.000 0.761 163 E HN 0.748 nan 8.360 nan 0.000 0.451 164 W N 0.329 121.552 121.300 -0.128 0.000 2.304 164 W HA -0.248 4.412 4.660 -0.000 0.000 0.315 164 W C 1.527 177.984 176.519 -0.103 0.000 1.233 164 W CA 2.014 59.193 57.345 -0.277 0.000 1.261 164 W CB -0.550 28.605 29.460 -0.509 0.000 1.150 164 W HN 0.197 nan 8.180 nan 0.000 0.494 165 W N 0.647 122.118 121.300 0.285 0.000 2.407 165 W HA -0.131 4.529 4.660 -0.000 0.000 0.305 165 W C 2.644 179.155 176.519 -0.013 0.000 1.196 165 W CA 1.880 59.304 57.345 0.131 0.000 1.311 165 W CB -0.982 28.611 29.460 0.220 0.000 1.135 165 W HN 0.093 nan 8.180 nan 0.000 0.514 166 E N -0.996 119.352 120.200 0.247 0.000 2.171 166 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 166 E C 1.677 178.231 176.600 -0.077 0.000 0.997 166 E CA 1.603 58.046 56.400 0.072 0.000 0.810 166 E CB -1.087 28.625 29.700 0.019 0.000 0.738 166 E HN 0.356 nan 8.360 nan 0.000 0.467 167 Y N 1.211 121.494 120.300 -0.028 0.000 2.286 167 Y HA -0.137 4.413 4.550 -0.000 0.000 0.293 167 Y C 2.663 178.439 175.900 -0.207 0.000 1.124 167 Y CA 1.540 59.593 58.100 -0.079 0.000 1.178 167 Y CB -0.151 38.317 38.460 0.013 0.000 1.010 167 Y HN 0.200 nan 8.280 nan 0.000 0.536 168 Q N 0.933 120.554 119.800 -0.298 0.000 2.020 168 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 168 Q C 1.975 177.938 176.000 -0.062 0.000 0.982 168 Q CA 1.914 57.478 55.803 -0.399 0.000 0.838 168 Q CB -0.427 27.763 28.738 -0.913 0.000 0.899 168 Q HN 0.298 nan 8.270 nan 0.000 0.423 169 R N 0.394 120.930 120.500 0.059 0.000 2.096 169 R HA -0.152 4.188 4.340 -0.000 0.000 0.240 169 R C 2.395 178.729 176.300 0.057 0.000 1.139 169 R CA 1.665 57.832 56.100 0.112 0.000 0.952 169 R CB -0.814 29.556 30.300 0.117 0.000 0.854 169 R HN 0.460 nan 8.270 nan 0.000 0.436 170 A N 1.601 124.416 122.820 -0.009 0.000 1.825 170 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 170 A C 1.371 178.953 177.584 -0.003 0.000 1.206 170 A CA 1.359 53.376 52.037 -0.035 0.000 0.609 170 A CB -0.316 18.608 19.000 -0.127 0.000 0.851 170 A HN 0.479 nan 8.150 nan 0.000 0.445 171 Q N -0.814 118.990 119.800 0.006 0.000 2.715 171 Q HA 0.647 4.987 4.340 -0.000 0.000 0.399 171 Q C -0.793 175.217 176.000 0.016 0.000 1.017 171 Q CA -0.263 55.553 55.803 0.021 0.000 1.077 171 Q CB 0.516 29.277 28.738 0.039 0.000 1.350 171 Q HN 0.261 nan 8.270 nan 0.000 0.421 172 S N -0.811 114.905 115.700 0.028 0.000 2.727 172 S HA 0.685 5.155 4.470 -0.000 0.000 0.278 172 S C -0.073 174.580 174.600 0.089 0.000 1.186 172 S CA -0.364 57.858 58.200 0.037 0.000 0.836 172 S CB 0.949 64.140 63.200 -0.016 0.000 1.186 172 S HN 0.629 nan 8.310 nan 0.000 0.499 173 G N 0.361 109.224 108.800 0.106 0.000 2.785 173 G HA2 0.329 4.289 3.960 -0.000 0.000 0.256 173 G HA3 0.329 4.289 3.960 -0.000 0.000 0.256 173 G C -0.951 174.085 174.900 0.227 0.000 1.248 173 G CA 0.128 45.319 45.100 0.153 0.000 0.914 173 G HN 0.404 nan 8.290 nan 0.000 0.580 174 F N 0.553 120.556 119.950 0.089 0.000 2.391 174 F HA 0.377 4.904 4.527 -0.000 0.000 0.359 174 F C -0.585 175.296 175.800 0.135 0.000 1.122 174 F CA -1.621 56.438 58.000 0.098 0.000 1.120 174 F CB 1.381 40.425 39.000 0.073 0.000 1.142 174 F HN 0.149 nan 8.300 nan 0.000 0.483 175 D N 9.245 129.377 120.400 -0.446 0.000 2.473 175 D HA 0.226 4.866 4.640 -0.000 0.000 0.226 175 D C -2.171 173.688 176.300 -0.735 0.000 1.089 175 D CA -1.293 52.492 54.000 -0.359 0.000 0.883 175 D CB 0.996 41.829 40.800 0.055 0.000 1.029 175 D HN 0.296 nan 8.370 nan 0.000 0.517 179 Q N 0.952 120.714 119.800 -0.064 0.000 2.432 179 Q HA 0.394 4.733 4.340 -0.000 0.000 0.264 179 Q C -0.280 175.722 176.000 0.003 0.000 1.035 179 Q CA 0.219 56.054 55.803 0.053 0.000 0.908 179 Q CB 0.700 29.541 28.738 0.173 0.000 1.280 179 Q HN 0.312 nan 8.270 nan 0.000 0.455 180 V N 3.139 123.056 119.914 0.004 0.000 2.686 180 V HA 0.198 4.318 4.120 -0.000 0.000 0.295 180 V C 0.665 176.721 176.094 -0.064 0.000 1.055 180 V CA 0.269 62.544 62.300 -0.042 0.000 1.050 180 V CB 0.937 32.698 31.823 -0.104 0.000 0.984 180 V HN 1.032 nan 8.190 nan 0.000 0.482 181 T N -0.337 114.193 114.554 -0.041 0.000 2.807 181 T HA 0.352 4.702 4.350 -0.000 0.000 0.277 181 T C 0.808 175.518 174.700 0.016 0.000 1.006 181 T CA 0.157 62.243 62.100 -0.024 0.000 1.006 181 T CB 1.659 70.530 68.868 0.005 0.000 1.274 181 T HN 0.729 nan 8.240 nan 0.000 0.569 182 T N -1.818 112.779 114.554 0.071 0.000 3.107 182 T HA 0.475 4.825 4.350 -0.000 0.000 0.249 182 T C 0.875 175.760 174.700 0.308 0.000 1.096 182 T CA -0.046 62.182 62.100 0.215 0.000 1.012 182 T CB -0.536 68.395 68.868 0.105 0.000 0.977 182 T HN 0.965 nan 8.240 nan 0.000 0.527 183 A N 2.289 125.230 122.820 0.201 0.000 2.401 183 A HA 0.587 4.906 4.320 -0.000 0.000 0.259 183 A C 0.805 178.416 177.584 0.045 0.000 1.103 183 A CA -0.443 51.647 52.037 0.089 0.000 0.789 183 A CB 0.156 19.177 19.000 0.034 0.000 1.035 183 A HN 0.593 nan 8.150 nan 0.000 0.491 184 T N 0.102 114.612 114.554 -0.073 0.000 2.905 184 T HA 0.442 4.792 4.350 -0.000 0.000 0.283 184 T C 1.053 175.665 174.700 -0.147 0.000 1.031 184 T CA -0.190 61.793 62.100 -0.196 0.000 1.002 184 T CB 0.667 69.365 68.868 -0.283 0.000 1.200 184 T HN 0.698 nan 8.240 nan 0.000 0.560 185 L N 0.991 122.111 121.223 -0.173 0.000 2.129 185 L HA 0.101 4.441 4.340 -0.000 0.000 0.212 185 L C 2.385 179.184 176.870 -0.118 0.000 1.087 185 L CA 2.380 57.130 54.840 -0.150 0.000 0.757 185 L CB -1.011 40.956 42.059 -0.152 0.000 0.896 185 L HN 0.943 nan 8.230 nan 0.000 0.434 186 G N -1.520 107.215 108.800 -0.108 0.000 2.559 186 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 186 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 186 G C 1.058 175.920 174.900 -0.063 0.000 1.126 186 G CA 0.726 45.777 45.100 -0.081 0.000 0.778 186 G HN 0.453 nan 8.290 nan 0.000 0.543 187 D N 0.395 120.758 120.400 -0.062 0.000 2.354 187 D HA 0.171 4.811 4.640 -0.000 0.000 0.209 187 D C 1.476 177.759 176.300 -0.027 0.000 1.015 187 D CA 0.176 54.152 54.000 -0.040 0.000 0.867 187 D CB 0.402 41.183 40.800 -0.032 0.000 0.933 187 D HN 0.256 nan 8.370 nan 0.000 0.520 188 A N 1.789 124.585 122.820 -0.040 0.000 2.404 188 A HA 0.228 4.548 4.320 -0.000 0.000 0.273 188 A C 0.418 178.002 177.584 -0.000 0.000 1.144 188 A CA -0.316 51.714 52.037 -0.011 0.000 0.806 188 A CB 0.111 19.056 19.000 -0.092 0.000 1.080 188 A HN 0.014 nan 8.150 nan 0.000 0.509 189 R N 4.560 125.081 120.500 0.036 0.000 2.491 189 R HA 0.191 4.531 4.340 -0.000 0.000 0.283 189 R C -1.753 174.560 176.300 0.021 0.000 1.072 189 R CA -1.411 54.698 56.100 0.016 0.000 1.048 189 R CB 0.480 30.786 30.300 0.009 0.000 0.983 189 R HN 0.559 nan 8.270 nan 0.000 0.450 190 P HA -0.220 nan 4.420 nan 0.000 0.218 190 P C 0.954 178.248 177.300 -0.010 0.000 1.148 190 P CA 1.469 64.561 63.100 -0.013 0.000 0.822 190 P CB 0.173 31.859 31.700 -0.024 0.000 0.784 191 A N 0.721 123.532 122.820 -0.015 0.000 1.902 191 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 191 A C 2.524 180.084 177.584 -0.040 0.000 1.181 191 A CA 2.162 54.179 52.037 -0.034 0.000 0.623 191 A CB -1.476 17.504 19.000 -0.034 0.000 0.818 191 A HN 0.250 nan 8.150 nan 0.000 0.443 192 A N -0.446 122.376 122.820 0.003 0.000 1.898 192 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 192 A C 2.167 179.824 177.584 0.122 0.000 1.181 192 A CA 1.376 53.421 52.037 0.013 0.000 0.620 192 A CB -0.550 18.483 19.000 0.055 0.000 0.819 192 A HN 0.451 nan 8.150 nan 0.000 0.442 193 L N -0.714 120.619 121.223 0.184 0.000 2.056 193 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 193 L C 3.096 179.993 176.870 0.045 0.000 1.078 193 L CA 0.986 55.917 54.840 0.151 0.000 0.749 193 L CB -0.476 41.590 42.059 0.011 0.000 0.901 193 L HN 0.437 nan 8.230 nan 0.000 0.433 194 A N -0.036 122.773 122.820 -0.017 0.000 1.908 194 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 194 A C 2.270 179.763 177.584 -0.150 0.000 1.181 194 A CA 1.518 53.515 52.037 -0.066 0.000 0.627 194 A CB -0.725 18.229 19.000 -0.076 0.000 0.818 194 A HN 0.355 nan 8.150 nan 0.000 0.445 195 L N -0.892 120.183 121.223 -0.246 0.000 2.017 195 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 195 L C 3.118 179.681 176.870 -0.512 0.000 1.073 195 L CA 1.172 55.648 54.840 -0.606 0.000 0.745 195 L CB -0.459 41.194 42.059 -0.677 0.000 0.894 195 L HN 0.461 nan 8.230 nan 0.000 0.432 196 A N -0.098 122.690 122.820 -0.055 0.000 1.933 196 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 196 A C 2.312 180.095 177.584 0.331 0.000 1.175 196 A CA 1.558 53.753 52.037 0.263 0.000 0.628 196 A CB -0.454 18.731 19.000 0.309 0.000 0.814 196 A HN 0.359 nan 8.150 nan 0.000 0.444 197 R N -0.102 120.507 120.500 0.181 0.000 2.092 197 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 197 R C 2.102 178.469 176.300 0.111 0.000 1.119 197 R CA 1.617 57.843 56.100 0.210 0.000 0.970 197 R CB -0.244 30.118 30.300 0.103 0.000 0.864 197 R HN 0.732 nan 8.270 nan 0.000 0.440 198 K N -0.738 119.641 120.400 -0.036 0.000 2.432 198 K HA -0.061 4.259 4.320 -0.000 0.000 0.196 198 K C 1.062 177.693 176.600 0.051 0.000 1.038 198 K CA 0.669 56.916 56.287 -0.066 0.000 0.986 198 K CB 0.134 32.514 32.500 -0.200 0.000 0.782 198 K HN 0.122 nan 8.250 nan 0.000 0.485 199 W N 1.208 122.569 121.300 0.102 0.000 2.942 199 W HA 0.253 4.913 4.660 -0.000 0.000 0.263 199 W C -0.350 176.207 176.519 0.062 0.000 1.296 199 W CA -0.105 57.293 57.345 0.087 0.000 1.504 199 W CB 0.290 29.817 29.460 0.111 0.000 1.096 199 W HN 0.107 nan 8.180 nan 0.000 0.639 200 D N -0.136 120.417 120.400 0.254 0.000 2.375 200 D HA 0.159 4.799 4.640 -0.000 0.000 0.241 200 D C -1.745 174.466 176.300 -0.148 0.000 1.361 200 D CA -1.816 52.163 54.000 -0.035 0.000 0.995 200 D CB 2.009 42.639 40.800 -0.284 0.000 1.312 200 D HN -0.223 nan 8.370 nan 0.000 0.576 201 P HA -0.046 nan 4.420 nan 0.000 0.231 201 P C 0.973 178.192 177.300 -0.135 0.000 1.158 201 P CA 0.311 63.366 63.100 -0.074 0.000 0.763 201 P CB 0.402 32.077 31.700 -0.041 0.000 0.805 202 A N -0.036 122.595 122.820 -0.315 0.000 1.897 202 A HA -0.116 4.203 4.320 -0.000 0.000 0.215 202 A C 1.795 179.271 177.584 -0.179 0.000 1.181 202 A CA 1.036 52.888 52.037 -0.308 0.000 0.620 202 A CB -1.539 17.187 19.000 -0.456 0.000 0.821 202 A HN 0.054 nan 8.150 nan 0.000 0.443 203 F N 0.539 120.507 119.950 0.030 0.000 2.365 203 F HA 0.030 4.557 4.527 -0.000 0.000 0.300 203 F C 2.642 178.447 175.800 0.008 0.000 1.090 203 F CA -0.057 57.954 58.000 0.019 0.000 1.408 203 F CB -1.159 37.858 39.000 0.028 0.000 1.060 203 F HN 0.256 nan 8.300 nan 0.000 0.534 204 A N 0.451 123.355 122.820 0.139 0.000 1.969 204 A HA -0.296 4.024 4.320 -0.000 0.000 0.223 204 A C 2.077 179.698 177.584 0.062 0.000 1.218 204 A CA 2.270 54.354 52.037 0.080 0.000 0.667 204 A CB -0.841 18.179 19.000 0.033 0.000 0.826 204 A HN 0.511 nan 8.150 nan 0.000 0.472 205 E N -1.135 119.100 120.200 0.058 0.000 2.502 205 E HA 0.170 4.520 4.350 -0.000 0.000 0.194 205 E C -0.402 176.225 176.600 0.044 0.000 1.062 205 E CA 0.095 56.520 56.400 0.041 0.000 0.867 205 E CB -0.175 29.543 29.700 0.030 0.000 0.888 205 E HN 0.724 nan 8.360 nan 0.000 0.510 206 L N -2.167 119.094 121.223 0.064 0.000 2.333 206 L HA 0.462 4.802 4.340 -0.000 0.000 0.263 206 L C 0.349 177.228 176.870 0.015 0.000 1.014 206 L CA -1.218 53.647 54.840 0.041 0.000 0.820 206 L CB 0.660 42.752 42.059 0.054 0.000 1.352 206 L HN -0.220 nan 8.230 nan 0.000 0.421 207 T N -3.238 111.309 114.554 -0.012 0.000 2.726 207 T HA 0.163 4.513 4.350 -0.000 0.000 0.294 207 T C 0.543 175.200 174.700 -0.072 0.000 1.013 207 T CA 0.152 62.230 62.100 -0.037 0.000 0.996 207 T CB 0.351 69.194 68.868 -0.042 0.000 1.016 207 T HN 0.652 nan 8.240 nan 0.000 0.529 208 D N -0.295 120.049 120.400 -0.093 0.000 2.117 208 D HA -0.069 4.571 4.640 -0.000 0.000 0.197 208 D C 1.955 178.147 176.300 -0.180 0.000 0.987 208 D CA 1.231 55.142 54.000 -0.148 0.000 0.829 208 D CB -0.236 40.483 40.800 -0.136 0.000 0.961 208 D HN 0.786 nan 8.370 nan 0.000 0.460 209 E N 0.564 120.683 120.200 -0.135 0.000 2.017 209 E HA -0.172 4.177 4.350 -0.000 0.000 0.193 209 E C 1.812 178.337 176.600 -0.125 0.000 0.997 209 E CA 1.027 57.347 56.400 -0.133 0.000 0.804 209 E CB 0.058 29.699 29.700 -0.097 0.000 0.757 209 E HN 0.449 nan 8.360 nan 0.000 0.448 210 E N 0.671 120.817 120.200 -0.089 0.000 2.409 210 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 210 E C 2.219 178.766 176.600 -0.087 0.000 1.024 210 E CA 0.318 56.679 56.400 -0.065 0.000 0.861 210 E CB -0.180 29.503 29.700 -0.028 0.000 0.788 210 E HN 0.320 nan 8.360 nan 0.000 0.521 211 L N 0.644 121.776 121.223 -0.152 0.000 2.062 211 L HA -0.063 4.277 4.340 -0.000 0.000 0.202 211 L C 2.432 179.110 176.870 -0.320 0.000 1.079 211 L CA 0.760 55.450 54.840 -0.250 0.000 0.755 211 L CB -0.163 41.698 42.059 -0.331 0.000 0.913 211 L HN 0.161 nan 8.230 nan 0.000 0.445 212 L N 0.087 121.083 121.223 -0.379 0.000 2.081 212 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 212 L C 2.819 179.549 176.870 -0.233 0.000 1.080 212 L CA 1.733 56.325 54.840 -0.413 0.000 0.754 212 L CB -0.613 41.176 42.059 -0.450 0.000 0.893 212 L HN 0.384 nan 8.230 nan 0.000 0.433 213 R N 0.192 120.597 120.500 -0.159 0.000 2.115 213 R HA -0.085 4.255 4.340 -0.000 0.000 0.226 213 R C 2.278 178.559 176.300 -0.031 0.000 1.100 213 R CA 1.146 57.200 56.100 -0.075 0.000 0.980 213 R CB -0.371 29.898 30.300 -0.051 0.000 0.875 213 R HN 0.325 nan 8.270 nan 0.000 0.445 214 G N 2.109 110.882 108.800 -0.045 0.000 2.418 214 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 214 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 214 G C 1.451 176.375 174.900 0.040 0.000 1.158 214 G CA 0.989 46.097 45.100 0.014 0.000 0.771 214 G HN 0.513 nan 8.290 nan 0.000 0.545 215 I N -1.947 118.611 120.570 -0.021 0.000 3.444 215 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 215 I C 1.588 177.725 176.117 0.034 0.000 1.302 215 I CA 0.577 61.888 61.300 0.017 0.000 1.368 215 I CB -0.347 37.622 38.000 -0.051 0.000 1.048 215 I HN 0.254 nan 8.210 nan 0.000 0.487 216 G N 1.315 110.137 108.800 0.037 0.000 2.136 216 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.242 216 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.242 216 G C 0.873 175.714 174.900 -0.097 0.000 0.989 216 G CA 0.373 45.505 45.100 0.053 0.000 0.682 216 G HN 0.680 nan 8.290 nan 0.000 0.522 217 A N -1.015 121.737 122.820 -0.113 0.000 1.943 217 A HA 0.588 4.908 4.320 -0.000 0.000 0.213 217 A C 1.234 178.753 177.584 -0.108 0.000 1.181 217 A CA 0.988 52.941 52.037 -0.139 0.000 0.653 217 A CB 0.173 19.082 19.000 -0.151 0.000 0.833 217 A HN 0.886 nan 8.150 nan 0.000 0.451 218 L N 1.375 122.538 121.223 -0.101 0.000 2.276 218 L HA 0.282 4.621 4.340 -0.000 0.000 0.286 218 L C -0.413 176.447 176.870 -0.016 0.000 1.061 218 L CA -0.072 54.724 54.840 -0.075 0.000 0.807 218 L CB 0.701 42.691 42.059 -0.115 0.000 1.177 218 L HN 0.264 nan 8.230 nan 0.000 0.429 219 D N 3.211 123.625 120.400 0.024 0.000 2.113 219 D HA 0.150 4.789 4.640 -0.000 0.000 0.255 219 D C 0.619 176.948 176.300 0.049 0.000 1.225 219 D CA 0.796 54.836 54.000 0.067 0.000 0.972 219 D CB 0.896 41.788 40.800 0.154 0.000 1.208 219 D HN 0.663 nan 8.370 nan 0.000 0.526 220 A N -0.617 122.243 122.820 0.066 0.000 2.259 220 A HA 0.135 4.455 4.320 -0.000 0.000 0.213 220 A C 1.527 179.140 177.584 0.049 0.000 1.209 220 A CA 0.200 52.263 52.037 0.045 0.000 0.910 220 A CB 0.106 19.132 19.000 0.043 0.000 0.946 220 A HN 0.335 nan 8.150 nan 0.000 0.497 221 E N -0.914 119.349 120.200 0.105 0.000 2.447 221 E HA 0.304 4.654 4.350 -0.000 0.000 0.195 221 E C 1.019 177.601 176.600 -0.031 0.000 1.028 221 E CA 0.812 57.289 56.400 0.128 0.000 0.876 221 E CB 0.401 30.314 29.700 0.355 0.000 0.885 221 E HN 0.719 nan 8.360 nan 0.000 0.500 222 G N -0.052 108.711 108.800 -0.063 0.000 2.135 222 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.183 222 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.183 222 G C -0.269 174.407 174.900 -0.374 0.000 1.004 222 G CA -0.462 44.501 45.100 -0.229 0.000 0.677 222 G HN 0.123 nan 8.290 nan 0.000 0.512 223 F N 0.035 119.956 119.950 -0.047 0.000 2.425 223 F HA 0.744 5.271 4.527 -0.000 0.000 0.331 223 F C 0.962 176.723 175.800 -0.065 0.000 1.085 223 F CA -1.009 56.960 58.000 -0.051 0.000 1.028 223 F CB 1.291 40.267 39.000 -0.039 0.000 1.177 223 F HN -0.048 nan 8.300 nan 0.000 0.487 224 L N 1.895 123.187 121.223 0.116 0.000 2.357 224 L HA 0.425 4.765 4.340 -0.000 0.000 0.273 224 L C 0.460 177.337 176.870 0.012 0.000 1.080 224 L CA -0.669 54.180 54.840 0.015 0.000 0.803 224 L CB 1.458 43.504 42.059 -0.022 0.000 1.174 224 L HN 0.763 nan 8.230 nan 0.000 0.443 225 S N 0.732 116.401 115.700 -0.051 0.000 2.641 225 S HA 0.051 4.521 4.470 -0.000 0.000 0.261 225 S C 0.612 175.148 174.600 -0.107 0.000 1.257 225 S CA -0.394 57.754 58.200 -0.087 0.000 0.983 225 S CB 1.027 64.128 63.200 -0.166 0.000 0.990 225 S HN 0.627 nan 8.310 nan 0.000 0.572 226 Q N 0.385 120.104 119.800 -0.135 0.000 2.119 226 Q HA 0.090 4.430 4.340 -0.000 0.000 0.201 226 Q C 2.121 177.984 176.000 -0.228 0.000 0.972 226 Q CA 1.928 57.633 55.803 -0.164 0.000 0.847 226 Q CB -0.969 27.668 28.738 -0.168 0.000 0.903 226 Q HN 0.882 nan 8.270 nan 0.000 0.433 227 A N -0.827 121.847 122.820 -0.245 0.000 2.016 227 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 227 A C 2.152 179.612 177.584 -0.207 0.000 1.162 227 A CA 1.225 53.102 52.037 -0.266 0.000 0.662 227 A CB -0.853 17.991 19.000 -0.260 0.000 0.812 227 A HN 0.494 nan 8.150 nan 0.000 0.450 228 G N -0.098 108.615 108.800 -0.144 0.000 2.403 228 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 228 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 228 G C 1.608 176.514 174.900 0.010 0.000 1.154 228 G CA 1.045 46.129 45.100 -0.028 0.000 0.784 228 G HN 0.575 nan 8.290 nan 0.000 0.538 229 K N 0.070 120.430 120.400 -0.067 0.000 2.057 229 K HA 0.111 4.431 4.320 -0.000 0.000 0.206 229 K C 2.231 178.760 176.600 -0.118 0.000 1.050 229 K CA 0.636 56.885 56.287 -0.064 0.000 0.935 229 K CB -0.284 32.171 32.500 -0.075 0.000 0.715 229 K HN 0.239 nan 8.250 nan 0.000 0.439 230 L N 1.109 122.203 121.223 -0.216 0.000 2.131 230 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 230 L C 1.900 178.581 176.870 -0.315 0.000 1.092 230 L CA 1.226 55.864 54.840 -0.337 0.000 0.759 230 L CB -0.194 41.544 42.059 -0.536 0.000 0.903 230 L HN 0.293 nan 8.230 nan 0.000 0.435 231 L N -1.601 119.453 121.223 -0.283 0.000 2.202 231 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 231 L C 1.638 178.208 176.870 -0.500 0.000 1.083 231 L CA 1.490 56.079 54.840 -0.419 0.000 0.790 231 L CB -0.359 41.349 42.059 -0.584 0.000 0.942 231 L HN 0.072 nan 8.230 nan 0.000 0.452 232 F N -1.957 117.906 119.950 -0.145 0.000 2.653 232 F HA 0.260 4.786 4.527 -0.000 0.000 0.304 232 F C 0.602 176.343 175.800 -0.098 0.000 1.092 232 F CA -0.114 57.818 58.000 -0.113 0.000 1.279 232 F CB 0.146 39.072 39.000 -0.123 0.000 1.044 232 F HN -0.229 nan 8.300 nan 0.000 0.564 233 T N 0.090 114.659 114.554 0.025 0.000 2.863 233 T HA 0.304 4.654 4.350 -0.000 0.000 0.285 233 T C -0.151 174.523 174.700 -0.044 0.000 1.009 233 T CA -0.827 61.268 62.100 -0.008 0.000 0.989 233 T CB 1.428 70.285 68.868 -0.019 0.000 1.004 233 T HN 0.038 nan 8.240 nan 0.000 0.455 234 S N 3.010 118.690 115.700 -0.034 0.000 2.537 234 S HA 0.111 4.581 4.470 -0.000 0.000 0.286 234 S C 1.048 175.623 174.600 -0.042 0.000 1.299 234 S CA -0.645 57.532 58.200 -0.038 0.000 1.067 234 S CB -0.250 62.932 63.200 -0.030 0.000 0.864 234 S HN 0.762 nan 8.310 nan 0.000 0.494 235 L N -0.862 120.335 121.223 -0.043 0.000 2.783 235 L HA 0.362 4.702 4.340 -0.000 0.000 0.236 235 L C -0.405 176.461 176.870 -0.006 0.000 1.225 235 L CA -0.525 54.291 54.840 -0.039 0.000 1.026 235 L CB -0.808 41.215 42.059 -0.061 0.000 1.314 235 L HN 0.599 nan 8.230 nan 0.000 0.489 236 D N 2.482 122.877 120.400 -0.008 0.000 2.764 236 D HA -0.250 4.390 4.640 -0.000 0.000 0.223 236 D C 0.334 176.643 176.300 0.016 0.000 1.207 236 D CA 1.384 55.384 54.000 -0.000 0.000 0.614 236 D CB -0.516 40.283 40.800 -0.001 0.000 1.007 236 D HN 0.884 nan 8.370 nan 0.000 0.407 237 R N -2.995 117.521 120.500 0.027 0.000 2.825 237 R HA 0.250 4.590 4.340 -0.000 0.000 0.274 237 R C -1.497 174.844 176.300 0.067 0.000 1.026 237 R CA -0.815 55.314 56.100 0.048 0.000 0.867 237 R CB 0.407 30.746 30.300 0.065 0.000 1.268 237 R HN -0.181 nan 8.270 nan 0.000 0.491 238 T N 1.732 116.329 114.554 0.072 0.000 2.814 238 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 238 T C 0.995 175.775 174.700 0.134 0.000 0.956 238 T CA 0.399 62.551 62.100 0.086 0.000 1.123 238 T CB 1.437 70.347 68.868 0.070 0.000 0.902 238 T HN 0.622 nan 8.240 nan 0.000 0.528 239 A N 4.003 126.928 122.820 0.174 0.000 1.956 239 A HA 0.508 4.828 4.320 -0.000 0.000 0.212 239 A C 0.703 178.371 177.584 0.141 0.000 1.188 239 A CA 0.332 52.524 52.037 0.259 0.000 0.675 239 A CB 0.168 19.436 19.000 0.446 0.000 0.845 239 A HN 0.757 nan 8.150 nan 0.000 0.455 240 I N -0.357 120.293 120.570 0.134 0.000 2.841 240 I HA 0.414 4.584 4.170 -0.000 0.000 0.298 240 I C -1.995 174.188 176.117 0.111 0.000 1.304 240 I CA -0.763 60.599 61.300 0.103 0.000 1.019 240 I CB 2.113 40.178 38.000 0.108 0.000 1.282 240 I HN 0.490 nan 8.210 nan 0.000 0.432 241 E N 6.042 126.299 120.200 0.096 0.000 2.413 241 E HA 0.540 4.889 4.350 -0.000 0.000 0.277 241 E C -2.018 174.630 176.600 0.079 0.000 0.958 241 E CA -0.981 55.476 56.400 0.095 0.000 0.779 241 E CB 2.804 32.554 29.700 0.083 0.000 1.278 241 E HN 0.422 nan 8.360 nan 0.000 0.456 242 L N 0.698 121.960 121.223 0.065 0.000 2.334 242 L HA 0.626 4.966 4.340 -0.000 0.000 0.276 242 L C -1.265 175.610 176.870 0.009 0.000 1.014 242 L CA -0.178 54.691 54.840 0.048 0.000 0.815 242 L CB 2.233 44.309 42.059 0.027 0.000 1.268 242 L HN 0.636 nan 8.230 nan 0.000 0.428 243 S N 5.462 121.163 115.700 0.002 0.000 2.774 243 S HA 0.556 5.025 4.470 -0.000 0.000 0.297 243 S C -0.481 174.009 174.600 -0.183 0.000 1.143 243 S CA -0.357 57.758 58.200 -0.143 0.000 1.090 243 S CB 0.527 63.612 63.200 -0.192 0.000 1.019 243 S HN 0.501 nan 8.310 nan 0.000 0.482 244 I N 3.981 124.450 120.570 -0.169 0.000 2.396 244 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 244 I C -0.499 175.523 176.117 -0.159 0.000 1.056 244 I CA 0.119 61.405 61.300 -0.024 0.000 1.365 244 I CB 0.205 38.202 38.000 -0.005 0.000 1.407 244 I HN 0.432 nan 8.210 nan 0.000 0.509 245 F N 3.884 123.918 119.950 0.141 0.000 2.509 245 F HA 0.225 4.752 4.527 -0.000 0.000 0.334 245 F C 1.231 177.083 175.800 0.087 0.000 1.060 245 F CA -0.376 57.675 58.000 0.086 0.000 0.997 245 F CB 0.914 39.950 39.000 0.059 0.000 1.271 245 F HN 0.390 nan 8.300 nan 0.000 0.488 246 D N -0.400 120.178 120.400 0.298 0.000 2.262 246 D HA 0.096 4.736 4.640 -0.000 0.000 0.212 246 D C -0.816 175.561 176.300 0.129 0.000 0.964 246 D CA 0.988 55.091 54.000 0.170 0.000 0.875 246 D CB 0.689 41.561 40.800 0.120 0.000 0.996 246 D HN 0.129 nan 8.370 nan 0.000 0.497 247 V N -0.009 119.978 119.914 0.121 0.000 3.023 247 V HA 0.203 4.323 4.120 -0.000 0.000 0.294 247 V C -1.511 174.579 176.094 -0.008 0.000 1.324 247 V CA -0.955 61.373 62.300 0.048 0.000 0.979 247 V CB 1.550 33.388 31.823 0.025 0.000 1.093 247 V HN 0.193 nan 8.190 nan 0.000 0.434 248 H N 4.692 123.680 119.070 -0.136 0.000 3.327 248 H HA 0.416 4.972 4.556 -0.000 0.000 0.229 248 H C 0.822 176.033 175.328 -0.195 0.000 0.895 248 H CA 1.735 57.654 56.048 -0.216 0.000 1.380 248 H CB 0.131 29.788 29.762 -0.176 0.000 1.545 248 H HN 1.193 nan 8.280 nan 0.000 0.509 249 G N 2.349 110.865 108.800 -0.473 0.000 4.569 249 G HA2 0.362 4.322 3.960 -0.000 0.000 0.221 249 G HA3 0.362 4.322 3.960 -0.000 0.000 0.221 249 G C 0.277 175.026 174.900 -0.253 0.000 0.778 249 G CA -0.044 44.825 45.100 -0.385 0.000 1.115 249 G HN 1.209 nan 8.290 nan 0.000 0.774 250 G N -0.446 108.172 108.800 -0.304 0.000 2.661 250 G HA2 0.454 4.414 3.960 -0.000 0.000 0.685 250 G HA3 0.454 4.414 3.960 -0.000 0.000 0.685 250 G C -0.137 174.871 174.900 0.180 0.000 1.298 250 G CA 0.637 45.706 45.100 -0.053 0.000 0.855 250 G HN 1.913 nan 8.290 nan 0.000 0.560 251 Q N -2.267 117.691 119.800 0.263 0.000 2.272 251 Q HA -0.030 4.309 4.340 -0.000 0.000 0.307 251 Q C -0.039 176.103 176.000 0.237 0.000 1.223 251 Q CA 0.781 56.702 55.803 0.197 0.000 0.696 251 Q CB -1.219 27.593 28.738 0.122 0.000 0.943 251 Q HN 1.869 nan 8.270 nan 0.000 0.330 252 V N 5.794 125.759 119.914 0.085 0.000 2.479 252 V HA 0.024 4.144 4.120 -0.000 0.000 0.281 252 V C 1.711 177.727 176.094 -0.131 0.000 1.031 252 V CA 0.651 62.809 62.300 -0.236 0.000 1.038 252 V CB 0.566 32.222 31.823 -0.278 0.000 0.981 252 V HN 0.754 nan 8.190 nan 0.000 0.478 253 L N 3.373 124.511 121.223 -0.141 0.000 2.249 253 L HA 0.244 4.584 4.340 -0.000 0.000 0.207 253 L C 1.011 177.834 176.870 -0.079 0.000 1.090 253 L CA 0.751 55.554 54.840 -0.062 0.000 0.802 253 L CB 0.011 42.062 42.059 -0.013 0.000 0.947 253 L HN 0.780 nan 8.230 nan 0.000 0.453 254 N N -0.216 118.406 118.700 -0.129 0.000 3.452 254 N HA 0.199 4.938 4.740 -0.000 0.000 0.231 254 N C -1.759 173.677 175.510 -0.123 0.000 1.264 254 N CA -0.537 52.453 53.050 -0.100 0.000 0.928 254 N CB 1.756 40.202 38.487 -0.069 0.000 1.547 254 N HN 0.049 nan 8.380 nan 0.000 0.509 255 R N -0.164 120.286 120.500 -0.084 0.000 2.698 255 R HA 0.711 5.050 4.340 -0.000 0.000 0.275 255 R C -1.451 174.838 176.300 -0.019 0.000 1.001 255 R CA -0.967 55.093 56.100 -0.066 0.000 0.896 255 R CB 1.844 32.103 30.300 -0.068 0.000 1.218 255 R HN 0.101 nan 8.270 nan 0.000 0.462 256 V N 3.122 123.038 119.914 0.004 0.000 2.376 256 V HA 0.508 4.628 4.120 -0.000 0.000 0.287 256 V C -0.814 175.356 176.094 0.127 0.000 1.015 256 V CA -0.504 61.831 62.300 0.059 0.000 0.834 256 V CB 1.547 33.366 31.823 -0.006 0.000 1.001 256 V HN 0.666 nan 8.190 nan 0.000 0.428 257 V N 6.496 126.500 119.914 0.151 0.000 2.334 257 V HA 0.714 4.834 4.120 -0.000 0.000 0.281 257 V C -2.060 174.104 176.094 0.117 0.000 1.016 257 V CA -1.912 60.464 62.300 0.127 0.000 0.832 257 V CB 1.032 32.894 31.823 0.066 0.000 0.999 257 V HN 0.777 nan 8.190 nan 0.000 0.439 258 P HA 0.206 nan 4.420 nan 0.000 0.269 258 P C -0.304 176.890 177.300 -0.176 0.000 1.209 258 P CA -0.004 62.977 63.100 -0.197 0.000 0.776 258 P CB 0.896 32.566 31.700 -0.050 0.000 0.876 259 E N 4.047 124.077 120.200 -0.284 0.000 2.366 259 E HA 0.027 4.377 4.350 -0.000 0.000 0.266 259 E C -1.184 175.358 176.600 -0.096 0.000 1.015 259 E CA -1.188 55.119 56.400 -0.156 0.000 0.906 259 E CB -0.081 29.519 29.700 -0.167 0.000 0.979 259 E HN 0.388 nan 8.360 nan 0.000 0.443 260 P HA -0.206 nan 4.420 nan 0.000 0.220 260 P C -0.117 177.167 177.300 -0.026 0.000 1.144 260 P CA 1.190 64.278 63.100 -0.020 0.000 0.800 260 P CB 0.340 32.036 31.700 -0.005 0.000 0.772 261 E N -0.258 119.918 120.200 -0.041 0.000 2.511 261 E HA 0.010 4.359 4.350 -0.000 0.000 0.196 261 E C 0.508 177.082 176.600 -0.044 0.000 1.066 261 E CA 0.486 56.864 56.400 -0.038 0.000 0.871 261 E CB -0.403 29.274 29.700 -0.039 0.000 0.863 261 E HN 0.405 nan 8.360 nan 0.000 0.520 262 K N 1.074 121.442 120.400 -0.053 0.000 2.118 262 K HA 0.333 4.653 4.320 -0.000 0.000 0.267 262 K C 0.248 176.826 176.600 -0.037 0.000 0.991 262 K CA -0.449 55.807 56.287 -0.052 0.000 0.916 262 K CB 1.430 33.884 32.500 -0.077 0.000 1.041 262 K HN 0.059 nan 8.250 nan 0.000 0.455 263 S N 0.004 115.679 115.700 -0.043 0.000 2.608 263 S HA 0.021 4.491 4.470 -0.000 0.000 0.261 263 S C 1.304 175.879 174.600 -0.043 0.000 1.314 263 S CA -0.805 57.356 58.200 -0.065 0.000 0.992 263 S CB 0.776 63.919 63.200 -0.096 0.000 0.935 263 S HN 0.720 nan 8.310 nan 0.000 0.564 264 C N 0.270 119.527 119.300 -0.070 0.000 2.425 264 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 264 C C 2.718 177.750 174.990 0.069 0.000 1.280 264 C CA 0.523 59.555 59.018 0.024 0.000 1.744 264 C CB -1.815 25.921 27.740 -0.007 0.000 1.989 264 C HN 0.812 nan 8.230 nan 0.000 0.491 265 L N 0.354 121.561 121.223 -0.027 0.000 2.046 265 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 265 L C 2.606 179.576 176.870 0.166 0.000 1.077 265 L CA 1.661 56.549 54.840 0.080 0.000 0.747 265 L CB -0.732 41.270 42.059 -0.095 0.000 0.896 265 L HN 0.454 nan 8.230 nan 0.000 0.432 266 E N -0.390 119.845 120.200 0.058 0.000 2.047 266 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 266 E C 2.280 178.958 176.600 0.131 0.000 0.987 266 E CA 0.983 57.424 56.400 0.068 0.000 0.799 266 E CB -0.042 29.658 29.700 -0.000 0.000 0.752 266 E HN 0.513 nan 8.360 nan 0.000 0.449 267 Q N 0.375 120.241 119.800 0.110 0.000 2.124 267 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 267 Q C 2.376 178.505 176.000 0.216 0.000 0.977 267 Q CA 0.868 56.761 55.803 0.149 0.000 0.850 267 Q CB -0.102 28.711 28.738 0.125 0.000 0.901 267 Q HN 0.205 nan 8.270 nan 0.000 0.429 268 L N 1.104 122.456 121.223 0.215 0.000 1.989 268 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 268 L C 1.912 178.921 176.870 0.232 0.000 1.071 268 L CA 2.351 57.317 54.840 0.210 0.000 0.749 268 L CB -0.499 41.684 42.059 0.208 0.000 0.890 268 L HN 0.153 nan 8.230 nan 0.000 0.431 269 D N -1.708 118.890 120.400 0.329 0.000 2.106 269 D HA -0.341 4.299 4.640 -0.000 0.000 0.191 269 D C 2.140 178.587 176.300 0.246 0.000 0.997 269 D CA 1.827 56.041 54.000 0.356 0.000 0.834 269 D CB -0.450 40.580 40.800 0.382 0.000 0.956 269 D HN 0.500 nan 8.370 nan 0.000 0.448 270 Y N 0.141 120.504 120.300 0.105 0.000 2.151 270 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 270 Y C 2.116 178.046 175.900 0.050 0.000 1.166 270 Y CA 1.305 59.442 58.100 0.062 0.000 1.163 270 Y CB -0.265 38.225 38.460 0.048 0.000 0.974 270 Y HN 0.109 nan 8.280 nan 0.000 0.511 271 L N 0.300 121.615 121.223 0.154 0.000 2.044 271 L HA -0.171 4.169 4.340 -0.000 0.000 0.205 271 L C 2.161 179.028 176.870 -0.006 0.000 1.075 271 L CA 1.936 56.809 54.840 0.055 0.000 0.747 271 L CB -1.097 41.025 42.059 0.106 0.000 0.903 271 L HN 0.356 nan 8.230 nan 0.000 0.435 272 E N -0.916 119.307 120.200 0.039 0.000 2.070 272 E HA -0.267 4.082 4.350 -0.000 0.000 0.197 272 E C 2.089 178.676 176.600 -0.022 0.000 1.004 272 E CA 1.100 57.511 56.400 0.019 0.000 0.805 272 E CB 0.031 29.770 29.700 0.064 0.000 0.744 272 E HN 0.491 nan 8.360 nan 0.000 0.451 273 Q N 0.125 119.909 119.800 -0.026 0.000 1.985 273 Q HA -0.197 4.143 4.340 -0.000 0.000 0.207 273 Q C 2.307 178.221 176.000 -0.144 0.000 0.996 273 Q CA 1.716 57.474 55.803 -0.074 0.000 0.851 273 Q CB -0.588 28.087 28.738 -0.105 0.000 0.921 273 Q HN 0.291 nan 8.270 nan 0.000 0.418 274 A N 0.518 123.204 122.820 -0.223 0.000 2.019 274 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 274 A C 2.088 179.544 177.584 -0.213 0.000 1.164 274 A CA 1.056 52.949 52.037 -0.240 0.000 0.644 274 A CB -0.468 18.351 19.000 -0.301 0.000 0.805 274 A HN 0.284 nan 8.150 nan 0.000 0.449 275 L N 0.202 121.319 121.223 -0.177 0.000 2.156 275 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 275 L C 1.895 178.621 176.870 -0.241 0.000 1.095 275 L CA 1.978 56.694 54.840 -0.207 0.000 0.770 275 L CB -1.022 40.972 42.059 -0.109 0.000 0.914 275 L HN 0.493 nan 8.230 nan 0.000 0.439 276 N N -1.448 117.156 118.700 -0.161 0.000 2.289 276 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 276 N C 1.610 177.020 175.510 -0.167 0.000 1.016 276 N CA 1.206 54.176 53.050 -0.133 0.000 0.872 276 N CB 0.127 38.568 38.487 -0.077 0.000 0.973 276 N HN 0.218 nan 8.380 nan 0.000 0.433 277 V N -0.963 118.833 119.914 -0.197 0.000 2.599 277 V HA -0.044 4.076 4.120 -0.000 0.000 0.245 277 V C 2.040 177.970 176.094 -0.273 0.000 1.046 277 V CA 0.806 62.990 62.300 -0.193 0.000 1.065 277 V CB -0.087 31.635 31.823 -0.168 0.000 0.703 277 V HN 0.118 nan 8.190 nan 0.000 0.464 278 V N 0.165 119.827 119.914 -0.419 0.000 2.515 278 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 278 V C 1.494 177.066 176.094 -0.870 0.000 1.058 278 V CA 1.529 63.423 62.300 -0.677 0.000 1.064 278 V CB -0.957 30.312 31.823 -0.922 0.000 0.675 278 V HN 0.625 nan 8.190 nan 0.000 0.461 279 N N 0.720 118.974 118.700 -0.742 0.000 3.127 279 N HA -0.030 4.710 4.740 -0.000 0.000 0.317 279 N C 1.224 176.645 175.510 -0.149 0.000 1.242 279 N CA -0.225 52.546 53.050 -0.464 0.000 1.203 279 N CB -0.123 38.218 38.487 -0.243 0.000 1.462 279 N HN 0.416 nan 8.380 nan 0.000 0.546 280 K N 1.026 121.362 120.400 -0.107 0.000 2.209 280 K HA -0.336 3.984 4.320 -0.000 0.000 0.220 280 K C 0.458 177.055 176.600 -0.005 0.000 1.002 280 K CA 1.852 58.124 56.287 -0.026 0.000 0.947 280 K CB -0.456 32.073 32.500 0.048 0.000 0.891 280 K HN 0.694 nan 8.250 nan 0.000 0.476 281 N N 0.941 119.660 118.700 0.031 0.000 2.372 281 N HA -0.129 4.611 4.740 -0.000 0.000 0.282 281 N C -1.500 174.021 175.510 0.017 0.000 1.425 281 N CA 0.854 53.919 53.050 0.025 0.000 0.663 281 N CB -1.134 37.356 38.487 0.005 0.000 0.903 281 N HN 0.441 nan 8.380 nan 0.000 0.495 282 N N 0.353 119.067 118.700 0.023 0.000 2.483 282 N HA 0.638 5.378 4.740 -0.000 0.000 0.285 282 N C -0.507 174.999 175.510 -0.008 0.000 1.210 282 N CA -0.193 52.860 53.050 0.006 0.000 0.931 282 N CB 0.968 39.460 38.487 0.010 0.000 1.220 282 N HN 0.579 nan 8.380 nan 0.000 0.542 283 T N -2.274 112.260 114.554 -0.034 0.000 2.767 283 T HA 0.513 4.863 4.350 -0.000 0.000 0.288 283 T C 0.111 174.760 174.700 -0.085 0.000 0.963 283 T CA -0.867 61.197 62.100 -0.060 0.000 1.019 283 T CB 0.055 68.867 68.868 -0.094 0.000 0.923 283 T HN 0.660 nan 8.240 nan 0.000 0.468 284 V N 1.914 121.789 119.914 -0.065 0.000 2.630 284 V HA 0.881 5.001 4.120 -0.000 0.000 0.305 284 V C -0.659 175.389 176.094 -0.076 0.000 1.046 284 V CA -0.852 61.411 62.300 -0.063 0.000 0.934 284 V CB 1.655 33.465 31.823 -0.020 0.000 1.003 284 V HN 0.825 nan 8.190 nan 0.000 0.451 285 V N 3.836 123.703 119.914 -0.079 0.000 2.495 285 V HA 0.651 4.771 4.120 -0.000 0.000 0.298 285 V C -0.382 175.732 176.094 0.033 0.000 1.031 285 V CA -0.338 61.947 62.300 -0.024 0.000 0.871 285 V CB 1.535 33.290 31.823 -0.114 0.000 0.988 285 V HN 1.005 nan 8.190 nan 0.000 0.432 286 E N 2.914 123.157 120.200 0.073 0.000 2.316 286 E HA 0.431 4.781 4.350 -0.000 0.000 0.254 286 E C 0.540 177.196 176.600 0.094 0.000 0.902 286 E CA 0.075 56.515 56.400 0.066 0.000 0.801 286 E CB 1.501 31.227 29.700 0.044 0.000 1.270 286 E HN 1.049 nan 8.360 nan 0.000 0.414 287 G N 3.454 112.322 108.800 0.113 0.000 2.314 287 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.292 287 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.292 287 G C 0.509 175.550 174.900 0.234 0.000 1.059 287 G CA 0.548 45.731 45.100 0.138 0.000 0.982 287 G HN 0.704 nan 8.290 nan 0.000 0.505 288 F N -3.178 116.817 119.950 0.074 0.000 2.841 288 F HA -0.305 4.222 4.527 -0.000 0.000 0.384 288 F C 1.195 176.981 175.800 -0.023 0.000 0.622 288 F CA 1.511 59.557 58.000 0.077 0.000 1.044 288 F CB -1.133 37.867 39.000 0.000 0.000 1.571 288 F HN 0.502 nan 8.300 nan 0.000 0.296 289 V N 2.761 122.713 119.914 0.064 0.000 2.415 289 V HA 0.139 4.259 4.120 -0.000 0.000 0.267 289 V C 0.255 176.397 176.094 0.080 0.000 1.042 289 V CA -0.094 62.203 62.300 -0.006 0.000 1.000 289 V CB 0.323 32.169 31.823 0.039 0.000 1.015 289 V HN 0.065 nan 8.190 nan 0.000 0.478 290 H N 4.480 123.470 119.070 -0.133 0.000 2.489 290 H HA 0.663 5.219 4.556 -0.000 0.000 0.322 290 H C -0.190 175.095 175.328 -0.071 0.000 1.091 290 H CA -0.945 55.025 56.048 -0.130 0.000 1.291 290 H CB 1.104 30.760 29.762 -0.176 0.000 1.436 290 H HN 0.576 nan 8.280 nan 0.000 0.480 291 K N 3.561 124.005 120.400 0.073 0.000 2.464 291 K HA 0.338 4.657 4.320 -0.000 0.000 0.253 291 K C -2.863 173.747 176.600 0.018 0.000 0.933 291 K CA -1.900 54.410 56.287 0.039 0.000 0.801 291 K CB 2.726 35.244 32.500 0.031 0.000 1.271 291 K HN 0.367 nan 8.250 nan 0.000 0.430 292 P HA 0.134 nan 4.420 nan 0.000 0.287 292 P C -0.794 176.515 177.300 0.016 0.000 1.294 292 P CA -0.400 62.706 63.100 0.009 0.000 0.776 292 P CB 0.972 32.677 31.700 0.008 0.000 0.889 293 V N 6.496 126.422 119.914 0.019 0.000 2.443 293 V HA 0.313 4.433 4.120 -0.000 0.000 0.293 293 V C -1.984 174.137 176.094 0.044 0.000 1.021 293 V CA -2.255 60.066 62.300 0.034 0.000 0.848 293 V CB 1.948 33.795 31.823 0.041 0.000 0.998 293 V HN 0.525 nan 8.190 nan 0.000 0.424 294 P HA 0.140 nan 4.420 nan 0.000 0.269 294 P C 0.701 178.053 177.300 0.086 0.000 1.215 294 P CA 0.001 63.136 63.100 0.058 0.000 0.780 294 P CB 1.103 32.831 31.700 0.047 0.000 0.898 295 E N 1.009 121.281 120.200 0.120 0.000 2.187 295 E HA -0.144 4.206 4.350 -0.000 0.000 0.199 295 E C 0.962 177.588 176.600 0.043 0.000 1.004 295 E CA 1.304 57.778 56.400 0.124 0.000 0.813 295 E CB -0.213 29.644 29.700 0.263 0.000 0.736 295 E HN 0.555 nan 8.360 nan 0.000 0.468 296 I N -2.758 117.866 120.570 0.091 0.000 2.644 296 I HA 0.330 4.499 4.170 -0.000 0.000 0.291 296 I C -2.878 173.271 176.117 0.053 0.000 1.180 296 I CA -2.992 58.313 61.300 0.008 0.000 1.040 296 I CB 2.536 40.528 38.000 -0.013 0.000 1.255 296 I HN -0.330 nan 8.210 nan 0.000 0.422 297 P HA -0.035 nan 4.420 nan 0.000 0.255 297 P C 0.476 177.799 177.300 0.037 0.000 1.161 297 P CA 0.149 63.279 63.100 0.049 0.000 0.768 297 P CB 0.537 32.270 31.700 0.055 0.000 0.746 298 R N 2.452 122.972 120.500 0.033 0.000 2.159 298 R HA -0.217 4.123 4.340 -0.000 0.000 0.249 298 R C 2.078 178.385 176.300 0.012 0.000 1.136 298 R CA 1.416 57.529 56.100 0.021 0.000 0.951 298 R CB -1.537 28.771 30.300 0.013 0.000 0.876 298 R HN 0.438 nan 8.270 nan 0.000 0.440 299 L N 0.746 121.975 121.223 0.010 0.000 1.990 299 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 299 L C 2.428 179.298 176.870 0.000 0.000 1.072 299 L CA 2.404 57.245 54.840 0.001 0.000 0.755 299 L CB -0.820 41.242 42.059 0.005 0.000 0.889 299 L HN 0.239 nan 8.230 nan 0.000 0.432 300 A N -1.139 121.685 122.820 0.008 0.000 1.892 300 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 300 A C 2.234 179.820 177.584 0.002 0.000 1.188 300 A CA 2.498 54.535 52.037 0.001 0.000 0.631 300 A CB -1.292 17.705 19.000 -0.006 0.000 0.822 300 A HN 0.377 nan 8.150 nan 0.000 0.447 301 V N -0.142 119.783 119.914 0.018 0.000 2.237 301 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 301 V C 2.637 178.737 176.094 0.011 0.000 1.046 301 V CA 2.320 64.640 62.300 0.032 0.000 1.007 301 V CB -0.862 30.996 31.823 0.058 0.000 0.638 301 V HN 0.683 nan 8.190 nan 0.000 0.445 302 R N -0.103 120.394 120.500 -0.005 0.000 2.127 302 R HA -0.249 4.091 4.340 -0.000 0.000 0.238 302 R C 2.280 178.557 176.300 -0.038 0.000 1.134 302 R CA 2.005 58.087 56.100 -0.029 0.000 0.975 302 R CB -0.193 30.078 30.300 -0.049 0.000 0.865 302 R HN 0.557 nan 8.270 nan 0.000 0.447 303 E N 0.539 120.721 120.200 -0.030 0.000 2.077 303 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 303 E C 0.409 176.993 176.600 -0.027 0.000 0.989 303 E CA 1.203 57.583 56.400 -0.033 0.000 0.800 303 E CB -0.216 29.471 29.700 -0.023 0.000 0.746 303 E HN 0.468 nan 8.360 nan 0.000 0.452 307 N N 1.572 120.250 118.700 -0.037 0.000 2.069 307 N HA -0.023 4.717 4.740 -0.000 0.000 0.191 307 N C 0.921 176.489 175.510 0.098 0.000 1.031 307 N CA 1.448 54.516 53.050 0.030 0.000 0.852 307 N CB 0.022 38.494 38.487 -0.025 0.000 1.018 307 N HN 0.453 nan 8.380 nan 0.000 0.423 311 H N 1.540 120.659 119.070 0.081 0.000 2.549 311 H HA 0.284 4.839 4.556 -0.000 0.000 0.279 311 H C 0.935 176.258 175.328 -0.009 0.000 1.018 311 H CA -0.278 55.809 56.048 0.064 0.000 1.175 311 H CB 0.145 29.923 29.762 0.026 0.000 1.485 311 H HN 0.099 nan 8.280 nan 0.000 0.543 312 R N 1.000 121.464 120.500 -0.060 0.000 2.924 312 R HA -0.106 4.233 4.340 -0.000 0.000 0.272 312 R C 1.129 177.318 176.300 -0.186 0.000 1.012 312 R CA 0.329 56.229 56.100 -0.335 0.000 1.171 312 R CB 0.388 30.093 30.300 -0.991 0.000 1.086 312 R HN 0.240 nan 8.270 nan 0.000 0.489 313 D N 0.600 120.884 120.400 -0.193 0.000 2.234 313 D HA -0.115 4.524 4.640 -0.000 0.000 0.205 313 D C 0.483 176.950 176.300 0.278 0.000 0.962 313 D CA 0.939 54.956 54.000 0.028 0.000 0.855 313 D CB 0.029 40.797 40.800 -0.052 0.000 0.951 313 D HN 0.659 nan 8.370 nan 0.000 0.500 314 W N 0.388 121.778 121.300 0.150 0.000 2.351 314 W HA -0.309 4.351 4.660 -0.000 0.000 0.252 314 W C 1.550 178.093 176.519 0.041 0.000 0.989 314 W CA 0.875 58.261 57.345 0.069 0.000 0.494 314 W CB -1.647 27.792 29.460 -0.034 0.000 1.997 314 W HN 0.171 nan 8.180 nan 0.000 1.484 315 N N 0.599 119.476 118.700 0.296 0.000 2.325 315 N HA 0.053 4.793 4.740 -0.000 0.000 0.182 315 N C 0.703 176.283 175.510 0.117 0.000 1.088 315 N CA 0.053 53.219 53.050 0.193 0.000 0.879 315 N CB 0.254 38.853 38.487 0.187 0.000 0.983 315 N HN 0.124 nan 8.380 nan 0.000 0.471 316 R N 0.047 120.594 120.500 0.078 0.000 2.528 316 R HA 0.256 4.596 4.340 -0.000 0.000 0.271 316 R C 1.178 177.502 176.300 0.040 0.000 1.056 316 R CA -0.358 55.750 56.100 0.014 0.000 1.117 316 R CB 1.361 31.613 30.300 -0.081 0.000 1.085 316 R HN -0.031 nan 8.270 nan 0.000 0.530 317 S N 1.167 116.885 115.700 0.029 0.000 2.325 317 S HA -0.089 4.381 4.470 -0.000 0.000 0.214 317 S C -0.205 174.424 174.600 0.050 0.000 1.031 317 S CA 0.715 58.946 58.200 0.052 0.000 0.972 317 S CB -0.162 63.065 63.200 0.045 0.000 0.908 317 S HN 0.696 nan 8.310 nan 0.000 0.453 318 E N 3.129 123.352 120.200 0.039 0.000 2.829 318 E HA -0.042 4.308 4.350 -0.000 0.000 0.264 318 E C -2.825 173.810 176.600 0.057 0.000 0.922 318 E CA -0.706 55.735 56.400 0.069 0.000 0.960 318 E CB -0.703 29.067 29.700 0.117 0.000 0.918 318 E HN 0.157 nan 8.360 nan 0.000 0.497 319 P HA 0.188 nan 4.420 nan 0.000 0.274 319 P C 0.020 177.362 177.300 0.070 0.000 1.246 319 P CA -0.495 62.641 63.100 0.060 0.000 0.795 319 P CB 0.463 32.211 31.700 0.080 0.000 1.006 320 I N 1.288 121.870 120.570 0.020 0.000 2.662 320 I HA -0.027 4.143 4.170 -0.000 0.000 0.285 320 I C 0.767 176.932 176.117 0.081 0.000 1.161 320 I CA 0.484 61.807 61.300 0.039 0.000 1.415 320 I CB -0.201 37.793 38.000 -0.009 0.000 1.385 320 I HN 0.256 nan 8.210 nan 0.000 0.552 321 D N 7.390 127.852 120.400 0.104 0.000 2.347 321 D HA 0.228 4.868 4.640 -0.000 0.000 0.235 321 D C -0.907 175.433 176.300 0.068 0.000 1.149 321 D CA -0.157 53.889 54.000 0.075 0.000 0.850 321 D CB 1.357 42.176 40.800 0.032 0.000 1.061 321 D HN 0.198 nan 8.370 nan 0.000 0.487 322 V N 6.043 126.007 119.914 0.084 0.000 2.409 322 V HA 0.639 4.759 4.120 -0.000 0.000 0.291 322 V C -0.979 175.199 176.094 0.139 0.000 1.020 322 V CA -0.692 61.667 62.300 0.098 0.000 0.848 322 V CB 1.188 33.068 31.823 0.095 0.000 0.990 322 V HN 0.589 nan 8.190 nan 0.000 0.430 323 R N 5.959 126.565 120.500 0.176 0.000 2.740 323 R HA 0.488 4.828 4.340 -0.000 0.000 0.282 323 R C -1.359 175.126 176.300 0.308 0.000 0.969 323 R CA -0.786 55.483 56.100 0.281 0.000 0.918 323 R CB 1.921 32.490 30.300 0.449 0.000 1.175 323 R HN 0.809 nan 8.270 nan 0.000 0.464 324 W N 4.926 126.314 121.300 0.147 0.000 2.600 324 W HA 0.384 5.044 4.660 -0.000 0.000 0.325 324 W C -1.547 175.061 176.519 0.148 0.000 1.034 324 W CA -1.168 56.233 57.345 0.093 0.000 1.226 324 W CB 1.321 30.803 29.460 0.037 0.000 1.379 324 W HN 0.409 nan 8.180 nan 0.000 0.466 325 I N 6.170 126.531 120.570 -0.350 0.000 2.297 325 I HA 0.069 4.239 4.170 -0.000 0.000 0.291 325 I C 1.405 177.363 176.117 -0.265 0.000 1.033 325 I CA -0.451 60.752 61.300 -0.162 0.000 1.253 325 I CB 0.894 38.787 38.000 -0.179 0.000 1.396 325 I HN 0.473 nan 8.210 nan 0.000 0.476 326 E N 4.817 125.072 120.200 0.092 0.000 2.013 326 E HA -0.188 4.161 4.350 -0.000 0.000 0.202 326 E C 1.912 178.549 176.600 0.063 0.000 1.018 326 E CA 1.505 58.019 56.400 0.190 0.000 0.834 326 E CB 0.061 29.886 29.700 0.208 0.000 0.770 326 E HN 0.581 nan 8.360 nan 0.000 0.459 327 L N 0.993 122.237 121.223 0.035 0.000 2.353 327 L HA -0.150 4.190 4.340 -0.000 0.000 0.220 327 L C 1.504 178.352 176.870 -0.037 0.000 1.133 327 L CA 0.780 55.626 54.840 0.010 0.000 0.798 327 L CB -0.198 41.871 42.059 0.016 0.000 0.922 327 L HN 0.007 nan 8.230 nan 0.000 0.445 328 D N -1.197 119.146 120.400 -0.094 0.000 2.407 328 D HA 0.052 4.692 4.640 -0.000 0.000 0.208 328 D C 0.864 177.031 176.300 -0.223 0.000 1.083 328 D CA 0.237 54.154 54.000 -0.138 0.000 0.844 328 D CB 0.683 41.395 40.800 -0.148 0.000 0.967 328 D HN 0.027 nan 8.370 nan 0.000 0.506 329 S N 0.298 115.827 115.700 -0.285 0.000 3.473 329 S HA -0.171 4.299 4.470 -0.000 0.000 0.339 329 S C 0.587 174.781 174.600 -0.677 0.000 1.148 329 S CA 1.138 59.085 58.200 -0.421 0.000 0.969 329 S CB -1.994 61.089 63.200 -0.195 0.000 0.936 329 S HN 0.571 nan 8.310 nan 0.000 0.530 330 T N -0.494 113.639 114.554 -0.701 0.000 2.895 330 T HA 0.734 5.084 4.350 -0.000 0.000 0.283 330 T C -0.475 173.803 174.700 -0.703 0.000 1.014 330 T CA -0.956 60.783 62.100 -0.600 0.000 1.037 330 T CB 1.877 70.518 68.868 -0.378 0.000 1.006 330 T HN 0.454 nan 8.240 nan 0.000 0.468 331 L N 4.076 125.032 121.223 -0.445 0.000 2.356 331 L HA 0.732 5.071 4.340 -0.000 0.000 0.277 331 L C -1.355 175.456 176.870 -0.099 0.000 0.996 331 L CA -1.073 53.652 54.840 -0.191 0.000 0.822 331 L CB 1.007 43.091 42.059 0.041 0.000 1.256 331 L HN 0.737 nan 8.230 nan 0.000 0.413 332 I N 5.269 125.815 120.570 -0.040 0.000 2.441 332 I HA 0.467 4.637 4.170 -0.000 0.000 0.295 332 I C -0.763 175.361 176.117 0.012 0.000 0.994 332 I CA -1.001 60.275 61.300 -0.041 0.000 1.144 332 I CB 2.006 39.968 38.000 -0.063 0.000 1.314 332 I HN 0.272 nan 8.210 nan 0.000 0.445 333 V N 6.049 125.965 119.914 0.003 0.000 2.340 333 V HA 0.358 4.478 4.120 -0.000 0.000 0.277 333 V C -0.110 175.998 176.094 0.024 0.000 1.017 333 V CA -0.599 61.717 62.300 0.025 0.000 0.820 333 V CB 1.110 32.950 31.823 0.029 0.000 1.028 333 V HN 0.661 nan 8.190 nan 0.000 0.436 334 R N 2.411 122.924 120.500 0.022 0.000 2.221 334 R HA 0.638 4.977 4.340 -0.000 0.000 0.327 334 R C -0.180 176.229 176.300 0.181 0.000 1.033 334 R CA -0.020 56.105 56.100 0.042 0.000 0.887 334 R CB 1.283 31.496 30.300 -0.145 0.000 1.057 334 R HN 0.616 nan 8.270 nan 0.000 0.455 335 S N 4.712 120.559 115.700 0.245 0.000 2.502 335 S HA 0.396 4.865 4.470 -0.000 0.000 0.304 335 S C -2.400 172.242 174.600 0.070 0.000 1.097 335 S CA -1.501 56.788 58.200 0.147 0.000 1.045 335 S CB 1.888 65.101 63.200 0.022 0.000 1.019 335 S HN 0.456 nan 8.310 nan 0.000 0.481 336 P HA 0.325 nan 4.420 nan 0.000 0.264 336 P C 0.340 177.424 177.300 -0.361 0.000 1.193 336 P CA 0.717 63.461 63.100 -0.593 0.000 0.763 336 P CB 0.195 31.631 31.700 -0.440 0.000 0.810 337 G N 1.528 110.096 108.800 -0.387 0.000 2.423 337 G HA2 0.376 4.336 3.960 -0.000 0.000 0.684 337 G HA3 0.376 4.336 3.960 -0.000 0.000 0.684 337 G C -0.877 173.924 174.900 -0.165 0.000 1.309 337 G CA -0.446 44.530 45.100 -0.207 0.000 0.950 337 G HN 0.744 nan 8.290 nan 0.000 0.587 338 G N -1.511 107.219 108.800 -0.115 0.000 2.680 338 G HA2 0.748 4.708 3.960 -0.000 0.000 0.290 338 G HA3 0.748 4.708 3.960 -0.000 0.000 0.290 338 G C -0.300 174.599 174.900 -0.002 0.000 1.355 338 G CA -0.998 44.008 45.100 -0.157 0.000 0.903 338 G HN 0.886 nan 8.290 nan 0.000 0.474 339 F N 2.079 122.023 119.950 -0.009 0.000 2.593 339 F HA 0.116 4.643 4.527 -0.000 0.000 0.393 339 F C -0.892 174.902 175.800 -0.011 0.000 1.037 339 F CA -1.187 56.807 58.000 -0.010 0.000 1.195 339 F CB 0.373 39.370 39.000 -0.005 0.000 1.034 339 F HN 0.110 nan 8.300 nan 0.000 0.552 340 P HA -0.049 nan 4.420 nan 0.000 0.265 340 P C -0.594 176.756 177.300 0.083 0.000 1.187 340 P CA -0.340 62.813 63.100 0.089 0.000 0.766 340 P CB 0.619 32.352 31.700 0.053 0.000 0.820 341 A N 2.483 125.339 122.820 0.059 0.000 2.666 341 A HA 0.300 4.619 4.320 -0.000 0.000 0.289 341 A C 1.239 178.846 177.584 0.039 0.000 1.478 341 A CA 0.907 52.974 52.037 0.049 0.000 1.079 341 A CB -1.661 17.361 19.000 0.036 0.000 1.015 341 A HN 0.780 nan 8.150 nan 0.000 0.582 342 A N 2.265 125.109 122.820 0.041 0.000 3.521 342 A HA 0.135 4.455 4.320 -0.000 0.000 0.195 342 A C 0.150 177.735 177.584 0.002 0.000 1.335 342 A CA -0.037 52.011 52.037 0.018 0.000 1.205 342 A CB -0.488 18.518 19.000 0.011 0.000 0.861 342 A HN 0.604 nan 8.150 nan 0.000 0.397 343 I N 2.026 122.595 120.570 -0.001 0.000 2.474 343 I HA 0.563 4.733 4.170 -0.000 0.000 0.287 343 I C 0.661 176.748 176.117 -0.050 0.000 1.048 343 I CA 0.592 61.842 61.300 -0.084 0.000 1.383 343 I CB 0.773 38.668 38.000 -0.174 0.000 1.412 343 I HN 0.375 nan 8.210 nan 0.000 0.531 344 T N 2.615 117.100 114.554 -0.116 0.000 2.888 344 T HA 0.193 4.543 4.350 -0.000 0.000 0.288 344 T C 1.123 175.762 174.700 -0.102 0.000 1.063 344 T CA -0.320 61.790 62.100 0.016 0.000 1.010 344 T CB 1.655 70.548 68.868 0.042 0.000 1.214 344 T HN 0.651 nan 8.240 nan 0.000 0.533 345 S N 0.213 116.007 115.700 0.156 0.000 2.440 345 S HA -0.075 4.394 4.470 -0.000 0.000 0.240 345 S C 0.899 175.512 174.600 0.022 0.000 1.014 345 S CA 1.723 60.032 58.200 0.181 0.000 0.980 345 S CB -0.316 63.027 63.200 0.238 0.000 0.775 345 S HN 0.678 nan 8.310 nan 0.000 0.499 346 E N 0.540 120.737 120.200 -0.005 0.000 2.609 346 E HA 0.280 4.630 4.350 -0.000 0.000 0.208 346 E C 0.046 176.610 176.600 -0.060 0.000 1.013 346 E CA -0.211 56.178 56.400 -0.019 0.000 1.093 346 E CB 0.391 30.095 29.700 0.007 0.000 1.129 346 E HN 0.203 nan 8.360 nan 0.000 0.450 347 N N 0.483 119.111 118.700 -0.120 0.000 2.381 347 N HA -0.003 4.737 4.740 -0.000 0.000 0.257 347 N C 0.709 176.100 175.510 -0.197 0.000 1.409 347 N CA 0.296 53.267 53.050 -0.131 0.000 0.836 347 N CB 1.113 39.535 38.487 -0.109 0.000 1.384 347 N HN 0.138 nan 8.380 nan 0.000 0.490 348 V N -1.570 118.199 119.914 -0.242 0.000 2.492 348 V HA 0.139 4.259 4.120 -0.000 0.000 0.241 348 V C 2.059 178.034 176.094 -0.197 0.000 1.041 348 V CA 0.429 62.554 62.300 -0.290 0.000 1.057 348 V CB -0.550 31.047 31.823 -0.377 0.000 0.711 348 V HN -0.018 nan 8.190 nan 0.000 0.468 349 L N 2.498 123.610 121.223 -0.184 0.000 2.551 349 L HA -0.071 4.269 4.340 -0.000 0.000 0.230 349 L C 2.482 179.274 176.870 -0.131 0.000 1.163 349 L CA 2.075 56.791 54.840 -0.207 0.000 0.826 349 L CB -0.840 41.052 42.059 -0.278 0.000 0.943 349 L HN 0.737 nan 8.230 nan 0.000 0.452 350 S N -3.180 112.472 115.700 -0.079 0.000 2.506 350 S HA 0.101 4.571 4.470 -0.000 0.000 0.219 350 S C 0.933 175.573 174.600 0.066 0.000 1.031 350 S CA -0.434 57.776 58.200 0.018 0.000 0.911 350 S CB -0.364 62.831 63.200 -0.008 0.000 0.812 350 S HN 0.392 nan 8.310 nan 0.000 0.497 351 N N 1.623 120.308 118.700 -0.026 0.000 2.374 351 N HA 0.152 4.891 4.740 -0.000 0.000 0.241 351 N C 0.877 176.409 175.510 0.036 0.000 1.262 351 N CA 0.170 53.214 53.050 -0.010 0.000 0.880 351 N CB 0.457 38.891 38.487 -0.089 0.000 1.105 351 N HN 0.068 nan 8.380 nan 0.000 0.438 352 R N 1.009 121.556 120.500 0.078 0.000 2.646 352 R HA 0.266 4.606 4.340 -0.000 0.000 0.226 352 R C -0.529 175.825 176.300 0.089 0.000 0.928 352 R CA -0.094 56.053 56.100 0.078 0.000 1.010 352 R CB -0.574 29.799 30.300 0.120 0.000 1.516 352 R HN 0.539 nan 8.270 nan 0.000 0.621 353 A N 2.213 125.087 122.820 0.091 0.000 2.395 353 A HA 0.621 4.941 4.320 -0.000 0.000 0.286 353 A C 0.310 177.964 177.584 0.116 0.000 1.193 353 A CA 0.078 52.172 52.037 0.095 0.000 0.852 353 A CB 0.053 19.098 19.000 0.076 0.000 1.118 353 A HN 0.271 nan 8.150 nan 0.000 0.524 354 A N 2.451 125.356 122.820 0.142 0.000 2.304 354 A HA 0.498 4.818 4.320 -0.000 0.000 0.271 354 A C 1.483 179.092 177.584 0.040 0.000 1.091 354 A CA -0.216 51.919 52.037 0.164 0.000 0.812 354 A CB 0.231 19.255 19.000 0.041 0.000 1.056 354 A HN 1.005 nan 8.150 nan 0.000 0.489 355 R N -0.438 120.042 120.500 -0.033 0.000 2.073 355 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 355 R C -0.619 175.465 176.300 -0.361 0.000 1.134 355 R CA 1.543 57.485 56.100 -0.264 0.000 0.952 355 R CB -0.210 29.824 30.300 -0.444 0.000 0.850 355 R HN 0.705 nan 8.270 nan 0.000 0.433 356 Y N -0.122 120.185 120.300 0.011 0.000 2.919 356 Y HA 0.343 4.893 4.550 -0.000 0.000 0.341 356 Y C -1.915 173.994 175.900 0.016 0.000 1.045 356 Y CA -3.045 55.064 58.100 0.016 0.000 1.218 356 Y CB 1.496 39.982 38.460 0.043 0.000 1.137 356 Y HN 0.128 nan 8.280 nan 0.000 0.577 357 P HA -0.307 nan 4.420 nan 0.000 0.216 357 P C 1.567 179.015 177.300 0.246 0.000 1.157 357 P CA 2.625 65.850 63.100 0.208 0.000 0.880 357 P CB 0.413 32.263 31.700 0.250 0.000 0.791 358 A N -0.477 122.452 122.820 0.181 0.000 1.892 358 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 358 A C 2.259 179.785 177.584 -0.098 0.000 1.188 358 A CA 1.588 53.558 52.037 -0.111 0.000 0.631 358 A CB -1.710 17.119 19.000 -0.285 0.000 0.822 358 A HN 0.149 nan 8.150 nan 0.000 0.447 359 L N -0.890 120.336 121.223 0.005 0.000 2.046 359 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 359 L C 2.932 179.918 176.870 0.193 0.000 1.077 359 L CA 1.770 56.644 54.840 0.056 0.000 0.747 359 L CB -0.786 41.347 42.059 0.124 0.000 0.896 359 L HN 0.470 nan 8.230 nan 0.000 0.432 360 A N 0.017 122.935 122.820 0.164 0.000 1.851 360 A HA -0.345 3.975 4.320 -0.000 0.000 0.216 360 A C 1.933 179.633 177.584 0.193 0.000 1.195 360 A CA 2.213 54.345 52.037 0.159 0.000 0.622 360 A CB -1.005 18.044 19.000 0.083 0.000 0.831 360 A HN 0.564 nan 8.150 nan 0.000 0.444 361 D N -0.840 119.673 120.400 0.188 0.000 2.158 361 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 361 D C 1.712 178.104 176.300 0.152 0.000 0.995 361 D CA 1.452 55.579 54.000 0.211 0.000 0.846 361 D CB -0.206 40.851 40.800 0.428 0.000 0.941 361 D HN 0.248 nan 8.370 nan 0.000 0.456 362 L N -0.554 120.705 121.223 0.060 0.000 2.083 362 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 362 L C 1.786 178.658 176.870 0.005 0.000 1.083 362 L CA 1.635 56.462 54.840 -0.022 0.000 0.752 362 L CB -0.828 41.142 42.059 -0.148 0.000 0.899 362 L HN 0.180 nan 8.230 nan 0.000 0.433 363 Y N -0.947 119.373 120.300 0.033 0.000 2.293 363 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 363 Y C 2.694 178.627 175.900 0.055 0.000 1.137 363 Y CA 1.066 59.188 58.100 0.036 0.000 1.202 363 Y CB -0.163 38.309 38.460 0.019 0.000 0.990 363 Y HN 0.072 nan 8.280 nan 0.000 0.537 364 R N 0.003 120.628 120.500 0.208 0.000 2.066 364 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 364 R C 2.410 178.792 176.300 0.137 0.000 1.131 364 R CA 1.165 57.348 56.100 0.137 0.000 0.955 364 R CB -1.060 29.300 30.300 0.100 0.000 0.851 364 R HN 0.349 nan 8.270 nan 0.000 0.432 365 A N 0.991 123.899 122.820 0.146 0.000 1.940 365 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 365 A C 1.977 179.727 177.584 0.277 0.000 1.176 365 A CA 1.098 53.239 52.037 0.174 0.000 0.631 365 A CB -0.351 18.736 19.000 0.144 0.000 0.814 365 A HN 0.136 nan 8.150 nan 0.000 0.446 366 L N -1.185 120.192 121.223 0.257 0.000 2.478 366 L HA 0.098 4.438 4.340 -0.000 0.000 0.223 366 L C 1.661 178.735 176.870 0.339 0.000 1.140 366 L CA 1.506 56.579 54.840 0.388 0.000 0.842 366 L CB -1.700 40.506 42.059 0.245 0.000 0.953 366 L HN 0.706 nan 8.230 nan 0.000 0.452 367 G N 0.190 109.113 108.800 0.206 0.000 2.256 367 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.272 367 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.272 367 G C 0.493 175.441 174.900 0.080 0.000 1.076 367 G CA 0.231 45.400 45.100 0.115 0.000 0.882 367 G HN 0.260 nan 8.290 nan 0.000 0.497 368 L N -1.094 120.184 121.223 0.091 0.000 2.664 368 L HA 0.468 4.808 4.340 -0.000 0.000 0.233 368 L C 0.940 177.807 176.870 -0.005 0.000 1.113 368 L CA 0.232 55.078 54.840 0.011 0.000 0.896 368 L CB 0.881 42.972 42.059 0.054 0.000 1.163 368 L HN 0.237 nan 8.230 nan 0.000 0.497 369 V N -2.119 117.814 119.914 0.032 0.000 3.114 369 V HA 0.445 4.565 4.120 -0.000 0.000 0.308 369 V C -0.676 175.419 176.094 0.001 0.000 1.168 369 V CA -1.249 61.051 62.300 0.000 0.000 1.015 369 V CB 2.746 34.573 31.823 0.006 0.000 1.050 369 V HN -0.166 nan 8.190 nan 0.000 0.433 370 D N 0.537 120.924 120.400 -0.022 0.000 2.433 370 D HA 0.307 4.947 4.640 -0.000 0.000 0.255 370 D C 1.079 177.359 176.300 -0.033 0.000 1.226 370 D CA -0.482 53.498 54.000 -0.033 0.000 1.015 370 D CB 0.847 41.615 40.800 -0.054 0.000 1.091 370 D HN 0.443 nan 8.370 nan 0.000 0.527 371 K N -0.286 120.082 120.400 -0.053 0.000 2.013 371 K HA -0.300 4.020 4.320 -0.000 0.000 0.225 371 K C 1.162 177.729 176.600 -0.054 0.000 1.056 371 K CA 2.200 58.449 56.287 -0.063 0.000 0.971 371 K CB 0.075 32.515 32.500 -0.100 0.000 0.731 371 K HN 0.340 nan 8.250 nan 0.000 0.450 372 Q N -4.259 115.494 119.800 -0.078 0.000 1.561 372 Q HA 0.016 4.356 4.340 -0.000 0.000 0.144 372 Q C 1.435 177.370 176.000 -0.110 0.000 0.523 372 Q CA 0.827 56.592 55.803 -0.063 0.000 0.856 372 Q CB -0.726 27.983 28.738 -0.047 0.000 0.915 372 Q HN 0.183 nan 8.270 nan 0.000 0.194 373 G N 1.126 109.834 108.800 -0.154 0.000 2.450 373 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 373 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 373 G C 1.205 175.965 174.900 -0.232 0.000 1.130 373 G CA 1.562 46.542 45.100 -0.199 0.000 0.760 373 G HN 0.266 nan 8.290 nan 0.000 0.557 374 V N 1.665 121.461 119.914 -0.198 0.000 2.324 374 V HA -0.154 3.965 4.120 -0.000 0.000 0.250 374 V C 3.094 179.092 176.094 -0.160 0.000 1.060 374 V CA 2.002 64.191 62.300 -0.186 0.000 1.042 374 V CB -1.264 30.480 31.823 -0.132 0.000 0.650 374 V HN 0.439 nan 8.190 nan 0.000 0.450 375 G N -0.236 108.491 108.800 -0.122 0.000 2.604 375 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 375 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 375 G C 1.800 176.647 174.900 -0.088 0.000 1.265 375 G CA 1.305 46.352 45.100 -0.090 0.000 0.804 375 G HN 0.395 nan 8.290 nan 0.000 0.579 376 V N 1.128 120.981 119.914 -0.102 0.000 2.380 376 V HA -0.186 3.934 4.120 -0.000 0.000 0.251 376 V C 2.406 178.456 176.094 -0.073 0.000 1.063 376 V CA 3.114 65.380 62.300 -0.056 0.000 1.055 376 V CB -0.558 31.207 31.823 -0.096 0.000 0.657 376 V HN 0.353 nan 8.190 nan 0.000 0.455 377 D N -0.377 119.848 120.400 -0.292 0.000 2.117 377 D HA -0.054 4.586 4.640 -0.000 0.000 0.198 377 D C 1.635 177.805 176.300 -0.217 0.000 0.982 377 D CA 0.846 54.504 54.000 -0.571 0.000 0.828 377 D CB -0.209 39.959 40.800 -1.054 0.000 0.967 377 D HN 0.518 nan 8.370 nan 0.000 0.464 381 Q N 2.832 122.818 119.800 0.311 0.000 2.029 381 Q HA -0.058 4.282 4.340 -0.000 0.000 0.209 381 Q C 1.308 177.380 176.000 0.119 0.000 0.999 381 Q CA 1.879 57.811 55.803 0.215 0.000 0.857 381 Q CB -0.749 28.124 28.738 0.225 0.000 0.926 381 Q HN 0.382 nan 8.270 nan 0.000 0.415 385 A N 1.014 123.895 122.820 0.102 0.000 2.042 385 A HA -0.166 4.154 4.320 -0.000 0.000 0.222 385 A C 1.751 179.364 177.584 0.049 0.000 1.167 385 A CA 1.880 53.970 52.037 0.089 0.000 0.649 385 A CB -0.443 18.601 19.000 0.074 0.000 0.809 385 A HN 0.370 nan 8.150 nan 0.000 0.457 386 L N -1.450 119.782 121.223 0.014 0.000 2.628 386 L HA 0.324 4.664 4.340 -0.000 0.000 0.229 386 L C 1.667 178.351 176.870 -0.310 0.000 1.137 386 L CA 0.926 55.705 54.840 -0.103 0.000 0.909 386 L CB -0.290 41.752 42.059 -0.028 0.000 1.137 386 L HN 0.598 nan 8.230 nan 0.000 0.470 387 G N -1.604 107.104 108.800 -0.154 0.000 2.162 387 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 387 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 387 G C 0.578 175.364 174.900 -0.189 0.000 0.976 387 G CA 0.221 45.215 45.100 -0.175 0.000 0.655 387 G HN 0.403 nan 8.290 nan 0.000 0.533 388 H N 0.462 119.545 119.070 0.022 0.000 2.505 388 H HA 0.473 5.029 4.556 -0.000 0.000 0.358 388 H C 1.258 176.587 175.328 0.001 0.000 1.304 388 H CA 0.221 56.265 56.048 -0.006 0.000 1.393 388 H CB 0.473 30.211 29.762 -0.039 0.000 1.591 388 H HN 0.606 nan 8.280 nan 0.000 0.595 389 R N 1.519 122.088 120.500 0.116 0.000 2.410 389 R HA 0.317 4.657 4.340 -0.000 0.000 0.288 389 R C -2.529 173.674 176.300 -0.161 0.000 1.051 389 R CA -1.841 54.264 56.100 0.009 0.000 1.021 389 R CB -0.129 30.198 30.300 0.044 0.000 1.032 389 R HN 0.354 nan 8.270 nan 0.000 0.481 390 P HA -0.005 nan 4.420 nan 0.000 0.264 390 P C -2.238 174.740 177.300 -0.536 0.000 1.183 390 P CA -0.801 61.977 63.100 -0.538 0.000 0.763 390 P CB -0.033 31.326 31.700 -0.568 0.000 0.807 391 P HA -0.002 nan 4.420 nan 0.000 0.266 391 P C 0.106 177.180 177.300 -0.377 0.000 1.215 391 P CA 0.363 63.174 63.100 -0.480 0.000 0.763 391 P CB -0.033 31.406 31.700 -0.434 0.000 0.806 392 T N 1.893 116.341 114.554 -0.177 0.000 2.806 392 T HA 0.520 4.870 4.350 -0.000 0.000 0.290 392 T C 0.168 174.869 174.700 0.002 0.000 0.966 392 T CA -0.834 61.234 62.100 -0.053 0.000 1.060 392 T CB 0.747 69.593 68.868 -0.038 0.000 0.927 392 T HN 0.449 nan 8.240 nan 0.000 0.485 393 I N 3.182 123.803 120.570 0.086 0.000 2.466 393 I HA 0.489 4.659 4.170 -0.000 0.000 0.279 393 I C -0.550 175.699 176.117 0.219 0.000 1.033 393 I CA -0.661 60.720 61.300 0.135 0.000 1.123 393 I CB 0.946 39.043 38.000 0.162 0.000 1.237 393 I HN 0.987 nan 8.210 nan 0.000 0.460 394 E N 5.105 125.392 120.200 0.145 0.000 2.320 394 E HA 0.420 4.770 4.350 -0.000 0.000 0.264 394 E C -1.255 175.306 176.600 -0.066 0.000 0.923 394 E CA -0.962 55.512 56.400 0.123 0.000 0.796 394 E CB 1.728 31.466 29.700 0.062 0.000 1.262 394 E HN 0.564 nan 8.360 nan 0.000 0.428 395 E N 1.829 121.887 120.200 -0.237 0.000 2.259 395 E HA 0.214 4.564 4.350 -0.000 0.000 0.281 395 E C -0.657 175.849 176.600 -0.157 0.000 1.027 395 E CA -0.619 55.539 56.400 -0.403 0.000 0.838 395 E CB 0.715 30.058 29.700 -0.595 0.000 1.066 395 E HN 0.358 nan 8.360 nan 0.000 0.401 396 I N 2.852 123.368 120.570 -0.091 0.000 2.562 396 I HA 0.270 4.440 4.170 -0.000 0.000 0.301 396 I C 0.161 176.299 176.117 0.035 0.000 1.003 396 I CA -0.848 60.441 61.300 -0.020 0.000 1.127 396 I CB 1.317 39.306 38.000 -0.018 0.000 1.304 396 I HN 0.637 nan 8.210 nan 0.000 0.446 397 A N 3.806 126.643 122.820 0.027 0.000 2.545 397 A HA 0.489 4.809 4.320 -0.000 0.000 0.253 397 A C 0.886 178.557 177.584 0.146 0.000 1.074 397 A CA 0.984 53.051 52.037 0.051 0.000 0.760 397 A CB -0.252 18.765 19.000 0.028 0.000 1.005 397 A HN 1.094 nan 8.150 nan 0.000 0.506 398 G N 2.621 111.508 108.800 0.145 0.000 4.315 398 G HA2 0.227 4.187 3.960 -0.000 0.000 0.190 398 G HA3 0.227 4.187 3.960 -0.000 0.000 0.190 398 G C -1.898 173.007 174.900 0.007 0.000 1.222 398 G CA 0.347 45.581 45.100 0.223 0.000 1.019 398 G HN 0.785 nan 8.290 nan 0.000 0.362 399 P HA 0.628 nan 4.420 nan 0.000 0.271 399 P C -1.672 175.497 177.300 -0.219 0.000 1.218 399 P CA 0.326 63.367 63.100 -0.100 0.000 0.780 399 P CB 1.385 33.011 31.700 -0.124 0.000 0.901 400 F N -0.343 119.538 119.950 -0.115 0.000 2.654 400 F HA 0.316 4.843 4.527 -0.000 0.000 0.308 400 F C -0.675 175.020 175.800 -0.176 0.000 1.108 400 F CA -0.706 57.225 58.000 -0.115 0.000 0.957 400 F CB 2.193 41.144 39.000 -0.082 0.000 1.309 400 F HN -0.022 nan 8.300 nan 0.000 0.446 401 V N 2.054 122.029 119.914 0.102 0.000 2.419 401 V HA 0.352 4.472 4.120 -0.000 0.000 0.287 401 V C -0.907 175.213 176.094 0.042 0.000 1.017 401 V CA -0.788 61.487 62.300 -0.041 0.000 0.844 401 V CB 1.371 33.162 31.823 -0.053 0.000 1.011 401 V HN 0.685 nan 8.190 nan 0.000 0.429 402 E N 2.621 122.827 120.200 0.012 0.000 2.166 402 E HA 0.654 5.004 4.350 -0.000 0.000 0.275 402 E C -0.858 175.749 176.600 0.012 0.000 0.941 402 E CA -0.605 55.799 56.400 0.008 0.000 0.784 402 E CB 1.975 31.652 29.700 -0.038 0.000 1.115 402 E HN 0.422 nan 8.360 nan 0.000 0.399 403 T N 2.924 117.484 114.554 0.010 0.000 2.794 403 T HA 0.383 4.733 4.350 -0.000 0.000 0.280 403 T C -0.722 173.955 174.700 -0.039 0.000 0.987 403 T CA -0.646 61.455 62.100 0.000 0.000 0.993 403 T CB 1.366 70.241 68.868 0.011 0.000 0.939 403 T HN 0.565 nan 8.240 nan 0.000 0.449 404 T N 3.097 117.609 114.554 -0.070 0.000 2.812 404 T HA 0.613 4.963 4.350 -0.000 0.000 0.282 404 T C -0.783 173.833 174.700 -0.140 0.000 0.990 404 T CA -0.811 61.222 62.100 -0.112 0.000 0.960 404 T CB 0.992 69.781 68.868 -0.133 0.000 0.948 404 T HN 0.147 nan 8.240 nan 0.000 0.438 405 L N 3.386 124.517 121.223 -0.154 0.000 2.316 405 L HA 0.502 4.842 4.340 -0.000 0.000 0.280 405 L C -0.420 176.312 176.870 -0.230 0.000 1.006 405 L CA -0.620 54.114 54.840 -0.177 0.000 0.836 405 L CB 1.803 43.780 42.059 -0.136 0.000 1.221 405 L HN 0.541 nan 8.230 nan 0.000 0.418 406 V N 4.058 123.835 119.914 -0.228 0.000 2.333 406 V HA 0.700 4.820 4.120 -0.000 0.000 0.274 406 V C 0.712 176.605 176.094 -0.334 0.000 1.028 406 V CA -0.087 62.060 62.300 -0.254 0.000 0.851 406 V CB 0.735 32.450 31.823 -0.180 0.000 1.000 406 V HN 0.874 nan 8.190 nan 0.000 0.456 407 G N 3.015 111.562 108.800 -0.422 0.000 3.134 407 G HA2 0.878 4.838 3.960 -0.000 0.000 0.158 407 G HA3 0.878 4.838 3.960 -0.000 0.000 0.158 407 G C 0.250 174.901 174.900 -0.416 0.000 1.334 407 G CA -0.039 44.649 45.100 -0.687 0.000 1.001 407 G HN 1.385 nan 8.290 nan 0.000 0.600 408 G N -1.264 107.398 108.800 -0.229 0.000 2.352 408 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.324 408 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.324 408 G C -0.443 174.552 174.900 0.158 0.000 1.249 408 G CA -0.485 44.618 45.100 0.004 0.000 1.053 408 G HN 0.603 nan 8.290 nan 0.000 0.492 409 R N 1.588 122.167 120.500 0.132 0.000 2.590 409 R HA 0.352 4.691 4.340 -0.000 0.000 0.274 409 R C -1.694 174.679 176.300 0.122 0.000 1.061 409 R CA -0.413 55.751 56.100 0.108 0.000 1.081 409 R CB 0.396 30.723 30.300 0.045 0.000 0.984 409 R HN 0.460 nan 8.270 nan 0.000 0.448 410 P HA -0.003 nan 4.420 nan 0.000 0.274 410 P C -0.703 176.534 177.300 -0.104 0.000 1.237 410 P CA -0.247 62.804 63.100 -0.082 0.000 0.793 410 P CB 0.938 32.620 31.700 -0.030 0.000 0.977 411 V N 4.896 124.706 119.914 -0.173 0.000 2.320 411 V HA -0.007 4.113 4.120 -0.000 0.000 0.265 411 V C 1.616 177.652 176.094 -0.097 0.000 1.048 411 V CA -0.393 61.829 62.300 -0.130 0.000 0.865 411 V CB -0.427 31.295 31.823 -0.169 0.000 1.043 411 V HN 0.353 nan 8.190 nan 0.000 0.474 412 L N 8.416 129.601 121.223 -0.063 0.000 1.976 412 L HA -0.102 4.238 4.340 -0.000 0.000 0.223 412 L C 0.217 177.063 176.870 -0.041 0.000 1.081 412 L CA 2.868 57.684 54.840 -0.040 0.000 0.784 412 L CB -2.613 39.431 42.059 -0.025 0.000 0.896 412 L HN 0.498 nan 8.230 nan 0.000 0.438 413 P HA -0.171 nan 4.420 nan 0.000 0.216 413 P C 2.104 179.376 177.300 -0.047 0.000 1.157 413 P CA 1.682 64.754 63.100 -0.047 0.000 0.880 413 P CB -0.106 31.555 31.700 -0.065 0.000 0.791 414 V N 0.092 119.956 119.914 -0.083 0.000 2.343 414 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 414 V C 2.893 178.985 176.094 -0.003 0.000 1.051 414 V CA 1.495 63.759 62.300 -0.060 0.000 1.036 414 V CB -1.228 30.520 31.823 -0.125 0.000 0.654 414 V HN 0.014 nan 8.190 nan 0.000 0.451 415 L N 0.328 121.539 121.223 -0.020 0.000 2.012 415 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 415 L C 2.757 179.636 176.870 0.015 0.000 1.073 415 L CA 2.321 57.161 54.840 -0.000 0.000 0.748 415 L CB -0.671 41.383 42.059 -0.009 0.000 0.891 415 L HN 0.558 nan 8.230 nan 0.000 0.431 416 E N -0.118 120.088 120.200 0.010 0.000 2.107 416 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 416 E C 2.295 178.911 176.600 0.026 0.000 0.982 416 E CA 0.693 57.103 56.400 0.017 0.000 0.809 416 E CB -0.449 29.258 29.700 0.012 0.000 0.756 416 E HN 0.360 nan 8.360 nan 0.000 0.459 417 L N 1.984 123.226 121.223 0.032 0.000 2.012 417 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 417 L C 2.304 179.208 176.870 0.058 0.000 1.073 417 L CA 1.585 56.456 54.840 0.052 0.000 0.748 417 L CB -0.534 41.572 42.059 0.079 0.000 0.891 417 L HN 0.107 nan 8.230 nan 0.000 0.431 418 V N -0.386 119.565 119.914 0.062 0.000 2.453 418 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 418 V C 2.852 178.970 176.094 0.040 0.000 1.048 418 V CA 1.572 63.907 62.300 0.057 0.000 1.049 418 V CB -0.555 31.306 31.823 0.063 0.000 0.672 418 V HN 0.561 nan 8.190 nan 0.000 0.457 419 S N -0.130 115.590 115.700 0.034 0.000 2.469 419 S HA -0.123 4.347 4.470 -0.000 0.000 0.238 419 S C 1.746 176.362 174.600 0.026 0.000 0.998 419 S CA 1.527 59.743 58.200 0.028 0.000 0.957 419 S CB -0.214 63.001 63.200 0.025 0.000 0.764 419 S HN 0.603 nan 8.310 nan 0.000 0.514 420 S N 0.619 116.336 115.700 0.028 0.000 2.572 420 S HA 0.403 4.873 4.470 -0.000 0.000 0.228 420 S C 0.330 174.945 174.600 0.024 0.000 0.963 420 S CA -0.441 57.774 58.200 0.025 0.000 0.939 420 S CB 0.025 63.241 63.200 0.026 0.000 0.804 420 S HN 0.442 nan 8.310 nan 0.000 0.480 421 I N 2.021 122.606 120.570 0.025 0.000 2.696 421 I HA 0.208 4.377 4.170 -0.000 0.000 0.284 421 I C -0.399 175.729 176.117 0.017 0.000 1.129 421 I CA -0.062 61.251 61.300 0.021 0.000 1.410 421 I CB 0.991 39.003 38.000 0.021 0.000 1.399 421 I HN -0.078 nan 8.210 nan 0.000 0.579 422 V N 6.550 126.472 119.914 0.014 0.000 2.777 422 V HA 0.316 4.435 4.120 -0.000 0.000 0.306 422 V C -2.271 173.829 176.094 0.010 0.000 1.112 422 V CA -1.450 60.857 62.300 0.013 0.000 0.917 422 V CB 2.154 33.985 31.823 0.014 0.000 1.018 422 V HN 0.619 nan 8.190 nan 0.000 0.426 423 P HA 0.070 nan 4.420 nan 0.000 0.269 423 P C 0.632 177.939 177.300 0.011 0.000 1.215 423 P CA 0.197 63.303 63.100 0.010 0.000 0.780 423 P CB 1.347 33.053 31.700 0.009 0.000 0.898 424 E N 1.970 122.178 120.200 0.012 0.000 2.118 424 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 424 E C 1.843 178.451 176.600 0.014 0.000 0.992 424 E CA 1.476 57.884 56.400 0.014 0.000 0.804 424 E CB -0.439 29.269 29.700 0.013 0.000 0.741 424 E HN 0.536 nan 8.360 nan 0.000 0.458 425 A N 0.645 123.472 122.820 0.012 0.000 2.225 425 A HA -0.108 4.211 4.320 -0.000 0.000 0.215 425 A C 1.872 179.463 177.584 0.012 0.000 1.164 425 A CA 0.720 52.764 52.037 0.012 0.000 0.710 425 A CB -0.272 18.734 19.000 0.010 0.000 0.780 425 A HN 0.139 nan 8.150 nan 0.000 0.473 426 R N -0.842 119.664 120.500 0.011 0.000 2.300 426 R HA 0.034 4.374 4.340 -0.000 0.000 0.199 426 R C 1.789 178.097 176.300 0.012 0.000 0.920 426 R CA 0.332 56.437 56.100 0.009 0.000 1.046 426 R CB -0.031 30.270 30.300 0.002 0.000 0.984 426 R HN 0.709 nan 8.270 nan 0.000 0.493 427 Q N 1.044 120.854 119.800 0.018 0.000 2.002 427 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 427 Q C 0.859 176.878 176.000 0.031 0.000 0.988 427 Q CA 1.628 57.445 55.803 0.024 0.000 0.843 427 Q CB -0.152 28.601 28.738 0.026 0.000 0.908 427 Q HN 0.435 nan 8.270 nan 0.000 0.420 428 D N 0.638 121.058 120.400 0.033 0.000 2.413 428 D HA -0.035 4.604 4.640 -0.000 0.000 0.237 428 D C -0.359 175.972 176.300 0.052 0.000 1.171 428 D CA 0.066 54.091 54.000 0.043 0.000 0.839 428 D CB -0.183 40.639 40.800 0.036 0.000 0.950 428 D HN -0.010 nan 8.370 nan 0.000 0.499 429 D N 0.593 121.019 120.400 0.044 0.000 2.295 429 D HA -0.051 4.589 4.640 -0.000 0.000 0.248 429 D C 0.762 177.108 176.300 0.076 0.000 1.154 429 D CA -0.676 53.356 54.000 0.053 0.000 0.857 429 D CB 0.766 41.579 40.800 0.021 0.000 1.117 429 D HN 0.129 nan 8.370 nan 0.000 0.468 430 Y N 4.905 125.192 120.300 -0.023 0.000 2.207 430 Y HA -0.277 4.273 4.550 -0.000 0.000 0.287 430 Y C 1.882 177.759 175.900 -0.038 0.000 1.156 430 Y CA 1.551 59.635 58.100 -0.027 0.000 1.182 430 Y CB 0.303 38.739 38.460 -0.040 0.000 0.979 430 Y HN 0.380 nan 8.280 nan 0.000 0.521 431 R N 0.315 120.746 120.500 -0.116 0.000 2.070 431 R HA -0.133 4.207 4.340 -0.000 0.000 0.233 431 R C 2.160 178.328 176.300 -0.221 0.000 1.137 431 R CA 2.039 58.003 56.100 -0.226 0.000 0.945 431 R CB -0.867 29.372 30.300 -0.103 0.000 0.845 431 R HN 0.592 nan 8.270 nan 0.000 0.430 432 I N -1.215 119.274 120.570 -0.135 0.000 2.567 432 I HA -0.014 4.156 4.170 -0.000 0.000 0.257 432 I C 1.993 178.022 176.117 -0.146 0.000 1.184 432 I CA 1.278 62.501 61.300 -0.128 0.000 1.451 432 I CB -0.592 37.363 38.000 -0.075 0.000 1.089 432 I HN 0.050 nan 8.210 nan 0.000 0.441 433 A N 1.598 124.331 122.820 -0.145 0.000 1.873 433 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 433 A C 2.259 179.737 177.584 -0.177 0.000 1.186 433 A CA 1.744 53.710 52.037 -0.119 0.000 0.616 433 A CB -0.755 18.214 19.000 -0.051 0.000 0.823 433 A HN 0.415 nan 8.150 nan 0.000 0.442 434 I N -0.000 120.386 120.570 -0.307 0.000 2.142 434 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 434 I C 2.574 178.580 176.117 -0.186 0.000 1.078 434 I CA 1.184 62.328 61.300 -0.260 0.000 1.343 434 I CB -1.378 36.355 38.000 -0.444 0.000 1.046 434 I HN 0.125 nan 8.210 nan 0.000 0.405 435 V N 1.183 120.960 119.914 -0.228 0.000 2.255 435 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 435 V C 2.666 178.601 176.094 -0.265 0.000 1.051 435 V CA 1.720 63.891 62.300 -0.215 0.000 1.018 435 V CB -0.626 31.070 31.823 -0.212 0.000 0.641 435 V HN 0.331 nan 8.190 nan 0.000 0.445 436 L N -1.465 119.569 121.223 -0.316 0.000 2.079 436 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 436 L C 2.426 178.686 176.870 -1.017 0.000 1.081 436 L CA 2.123 56.637 54.840 -0.544 0.000 0.752 436 L CB -0.616 41.167 42.059 -0.460 0.000 0.896 436 L HN 0.455 nan 8.230 nan 0.000 0.433 437 Y N 0.514 120.337 120.300 -0.795 0.000 2.145 437 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 437 Y C 2.418 178.112 175.900 -0.342 0.000 1.145 437 Y CA 1.488 59.204 58.100 -0.640 0.000 1.148 437 Y CB -0.073 38.265 38.460 -0.203 0.000 0.981 437 Y HN -0.012 nan 8.280 nan 0.000 0.507 438 L N -0.071 120.989 121.223 -0.271 0.000 2.129 438 L HA -0.278 4.061 4.340 -0.000 0.000 0.212 438 L C 2.194 178.896 176.870 -0.280 0.000 1.087 438 L CA 1.217 55.905 54.840 -0.254 0.000 0.757 438 L CB -0.586 41.386 42.059 -0.144 0.000 0.896 438 L HN 0.368 nan 8.230 nan 0.000 0.434 439 L N -1.789 119.259 121.223 -0.291 0.000 2.492 439 L HA -0.094 4.246 4.340 -0.000 0.000 0.223 439 L C 2.218 179.053 176.870 -0.058 0.000 1.132 439 L CA 0.223 54.961 54.840 -0.170 0.000 0.850 439 L CB -0.270 41.712 42.059 -0.129 0.000 0.966 439 L HN 0.164 nan 8.230 nan 0.000 0.454 440 F N 0.219 120.043 119.950 -0.211 0.000 2.325 440 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 440 F C 2.481 178.145 175.800 -0.226 0.000 1.090 440 F CA 0.621 58.498 58.000 -0.205 0.000 1.392 440 F CB -0.429 38.420 39.000 -0.252 0.000 1.053 440 F HN 0.169 nan 8.300 nan 0.000 0.521 441 Q N 0.332 120.060 119.800 -0.121 0.000 2.178 441 Q HA 0.124 4.464 4.340 -0.000 0.000 0.197 441 Q C 0.918 176.861 176.000 -0.095 0.000 0.998 441 Q CA 0.260 55.981 55.803 -0.137 0.000 0.845 441 Q CB -0.690 27.916 28.738 -0.219 0.000 0.943 441 Q HN 0.209 nan 8.270 nan 0.000 0.514 442 R N 2.184 122.601 120.500 -0.138 0.000 2.784 442 R HA 0.036 4.375 4.340 -0.000 0.000 0.266 442 R C -1.419 174.827 176.300 -0.090 0.000 1.044 442 R CA -0.749 55.260 56.100 -0.151 0.000 1.151 442 R CB -0.058 30.075 30.300 -0.278 0.000 1.037 442 R HN 0.223 nan 8.270 nan 0.000 0.478 443 P HA -0.062 nan 4.420 nan 0.000 0.220 443 P C -0.224 177.175 177.300 0.166 0.000 1.154 443 P CA 1.106 64.264 63.100 0.097 0.000 0.830 443 P CB 0.221 32.034 31.700 0.188 0.000 0.803 444 F N -0.786 119.186 119.950 0.038 0.000 2.593 444 F HA 0.775 5.302 4.527 -0.000 0.000 0.320 444 F C -0.916 174.925 175.800 0.070 0.000 1.060 444 F CA -2.187 55.851 58.000 0.063 0.000 0.940 444 F CB 0.627 39.664 39.000 0.063 0.000 1.268 444 F HN -0.335 nan 8.300 nan 0.000 0.475 445 I N 1.417 122.051 120.570 0.105 0.000 2.545 445 I HA 0.584 4.753 4.170 -0.000 0.000 0.292 445 I C -0.502 175.771 176.117 0.261 0.000 1.040 445 I CA -0.122 61.191 61.300 0.021 0.000 1.068 445 I CB 2.166 40.175 38.000 0.014 0.000 1.251 445 I HN 0.960 nan 8.210 nan 0.000 0.424 446 T N 5.488 120.153 114.554 0.184 0.000 2.940 446 T HA 0.361 4.711 4.350 -0.000 0.000 0.288 446 T C 1.281 176.112 174.700 0.218 0.000 1.033 446 T CA -0.471 61.799 62.100 0.284 0.000 1.033 446 T CB 0.840 69.852 68.868 0.239 0.000 1.079 446 T HN 0.583 nan 8.240 nan 0.000 0.496 447 I N 1.669 122.409 120.570 0.282 0.000 2.399 447 I HA -0.148 4.022 4.170 -0.000 0.000 0.254 447 I C 1.420 177.590 176.117 0.088 0.000 1.146 447 I CA 1.832 63.235 61.300 0.172 0.000 1.412 447 I CB 0.042 38.171 38.000 0.215 0.000 1.076 447 I HN 0.682 nan 8.210 nan 0.000 0.432 448 D N -0.213 120.242 120.400 0.091 0.000 2.123 448 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 448 D C 2.293 178.610 176.300 0.028 0.000 0.976 448 D CA 1.232 55.264 54.000 0.054 0.000 0.831 448 D CB -0.128 40.708 40.800 0.058 0.000 0.974 448 D HN 0.228 nan 8.370 nan 0.000 0.469 449 V N 0.408 120.336 119.914 0.023 0.000 2.427 449 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 449 V C 2.547 178.626 176.094 -0.025 0.000 1.051 449 V CA 0.910 63.201 62.300 -0.014 0.000 1.048 449 V CB -0.361 31.429 31.823 -0.056 0.000 0.666 449 V HN 0.065 nan 8.190 nan 0.000 0.456 450 V N 0.362 120.261 119.914 -0.025 0.000 2.407 450 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 450 V C 2.665 178.731 176.094 -0.046 0.000 1.055 450 V CA 1.907 64.173 62.300 -0.056 0.000 1.049 450 V CB -1.079 30.695 31.823 -0.081 0.000 0.662 450 V HN 0.552 nan 8.190 nan 0.000 0.455 451 A N 0.419 123.226 122.820 -0.022 0.000 1.841 451 A HA -0.248 4.072 4.320 -0.000 0.000 0.214 451 A C 2.383 179.958 177.584 -0.015 0.000 1.195 451 A CA 1.995 54.023 52.037 -0.015 0.000 0.611 451 A CB -0.608 18.392 19.000 0.000 0.000 0.835 451 A HN 0.470 nan 8.150 nan 0.000 0.443 452 R N -0.395 120.100 120.500 -0.008 0.000 2.200 452 R HA -0.106 4.233 4.340 -0.000 0.000 0.234 452 R C 2.034 178.330 176.300 -0.006 0.000 1.127 452 R CA 1.518 57.614 56.100 -0.006 0.000 0.989 452 R CB -0.588 29.713 30.300 0.001 0.000 0.869 452 R HN 0.483 nan 8.270 nan 0.000 0.459 453 G N 0.584 109.376 108.800 -0.013 0.000 2.404 453 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 453 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 453 G C 1.289 176.172 174.900 -0.029 0.000 1.189 453 G CA 0.462 45.556 45.100 -0.010 0.000 0.789 453 G HN 0.273 nan 8.290 nan 0.000 0.533 454 L N -0.386 120.813 121.223 -0.041 0.000 2.552 454 L HA 0.134 4.474 4.340 -0.000 0.000 0.227 454 L C 1.274 178.142 176.870 -0.002 0.000 1.146 454 L CA 0.277 55.109 54.840 -0.013 0.000 0.858 454 L CB -0.231 41.825 42.059 -0.006 0.000 0.969 454 L HN 0.294 nan 8.230 nan 0.000 0.451 455 Q N -0.186 119.602 119.800 -0.020 0.000 2.475 455 Q HA -0.198 4.141 4.340 -0.000 0.000 0.280 455 Q C 0.083 176.070 176.000 -0.022 0.000 1.234 455 Q CA 0.599 56.385 55.803 -0.028 0.000 0.873 455 Q CB -1.136 27.572 28.738 -0.051 0.000 1.256 455 Q HN 0.446 nan 8.270 nan 0.000 0.475 456 S N -2.145 113.548 115.700 -0.012 0.000 2.704 456 S HA 0.824 5.294 4.470 -0.000 0.000 0.296 456 S C 0.427 175.014 174.600 -0.021 0.000 1.138 456 S CA -0.221 57.972 58.200 -0.012 0.000 0.875 456 S CB 1.689 64.903 63.200 0.023 0.000 1.151 456 S HN 0.423 nan 8.310 nan 0.000 0.500 457 G N 0.945 109.726 108.800 -0.032 0.000 2.712 457 G HA2 0.180 4.140 3.960 -0.000 0.000 0.258 457 G HA3 0.180 4.140 3.960 -0.000 0.000 0.258 457 G C 0.398 175.296 174.900 -0.004 0.000 1.241 457 G CA -0.182 44.903 45.100 -0.025 0.000 0.923 457 G HN 0.807 nan 8.290 nan 0.000 0.548 458 K N -0.484 119.921 120.400 0.008 0.000 2.362 458 K HA -0.048 4.272 4.320 -0.000 0.000 0.200 458 K C 2.201 178.820 176.600 0.032 0.000 1.046 458 K CA 0.710 57.012 56.287 0.024 0.000 0.952 458 K CB 0.121 32.643 32.500 0.036 0.000 0.753 458 K HN 0.375 nan 8.250 nan 0.000 0.466 459 E N 0.935 121.154 120.200 0.031 0.000 2.028 459 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 459 E C 2.104 178.719 176.600 0.024 0.000 0.988 459 E CA 1.203 57.630 56.400 0.045 0.000 0.799 459 E CB -0.284 29.436 29.700 0.033 0.000 0.755 459 E HN 0.261 nan 8.360 nan 0.000 0.447 460 A N 1.569 124.392 122.820 0.006 0.000 1.940 460 A HA -0.167 4.152 4.320 -0.000 0.000 0.219 460 A C 2.407 179.981 177.584 -0.017 0.000 1.176 460 A CA 2.313 54.350 52.037 0.000 0.000 0.631 460 A CB -0.630 18.379 19.000 0.015 0.000 0.814 460 A HN 0.273 nan 8.150 nan 0.000 0.446 461 A N -0.510 122.300 122.820 -0.018 0.000 1.865 461 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 461 A C 2.270 179.812 177.584 -0.070 0.000 1.191 461 A CA 1.740 53.751 52.037 -0.043 0.000 0.623 461 A CB -0.550 18.440 19.000 -0.017 0.000 0.826 461 A HN 0.524 nan 8.150 nan 0.000 0.444 462 R N -0.619 119.865 120.500 -0.026 0.000 2.083 462 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 462 R C 2.257 178.524 176.300 -0.056 0.000 1.137 462 R CA 1.875 57.958 56.100 -0.028 0.000 0.951 462 R CB -0.402 29.927 30.300 0.047 0.000 0.851 462 R HN 0.692 nan 8.270 nan 0.000 0.434 463 N N 0.001 118.690 118.700 -0.019 0.000 2.043 463 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 463 N C 1.570 177.041 175.510 -0.065 0.000 1.037 463 N CA 2.128 55.169 53.050 -0.015 0.000 0.851 463 N CB -0.241 38.249 38.487 0.005 0.000 1.027 463 N HN 0.281 nan 8.380 nan 0.000 0.422 464 A N 0.689 123.456 122.820 -0.089 0.000 1.851 464 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 464 A C 2.405 179.874 177.584 -0.193 0.000 1.195 464 A CA 1.494 53.455 52.037 -0.127 0.000 0.622 464 A CB -1.171 17.743 19.000 -0.143 0.000 0.831 464 A HN 0.398 nan 8.150 nan 0.000 0.444 465 L N -0.750 120.309 121.223 -0.274 0.000 1.997 465 L HA -0.270 4.069 4.340 -0.000 0.000 0.216 465 L C 2.849 179.486 176.870 -0.388 0.000 1.074 465 L CA 1.808 56.365 54.840 -0.472 0.000 0.763 465 L CB -0.591 41.008 42.059 -0.768 0.000 0.890 465 L HN 0.401 nan 8.230 nan 0.000 0.434 466 E N -0.059 119.992 120.200 -0.248 0.000 2.033 466 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 466 E C 2.238 178.780 176.600 -0.097 0.000 1.011 466 E CA 1.658 57.981 56.400 -0.129 0.000 0.815 466 E CB -0.359 29.313 29.700 -0.047 0.000 0.755 466 E HN 0.501 nan 8.360 nan 0.000 0.451 467 A N 1.074 123.843 122.820 -0.085 0.000 1.986 467 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 467 A C 2.339 179.878 177.584 -0.076 0.000 1.171 467 A CA 2.331 54.332 52.037 -0.061 0.000 0.640 467 A CB -0.496 18.474 19.000 -0.050 0.000 0.811 467 A HN 0.289 nan 8.150 nan 0.000 0.451 468 A N -0.963 121.784 122.820 -0.123 0.000 1.970 468 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 468 A C 2.197 179.723 177.584 -0.097 0.000 1.170 468 A CA 1.233 53.197 52.037 -0.122 0.000 0.645 468 A CB -0.392 18.502 19.000 -0.176 0.000 0.816 468 A HN 0.501 nan 8.150 nan 0.000 0.447 469 R N -0.385 120.047 120.500 -0.113 0.000 2.148 469 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 469 R C 1.552 177.851 176.300 -0.001 0.000 1.088 469 R CA 1.361 57.436 56.100 -0.042 0.000 0.985 469 R CB -0.099 30.189 30.300 -0.019 0.000 0.880 469 R HN 0.654 nan 8.270 nan 0.000 0.451 470 Q N -0.660 119.131 119.800 -0.014 0.000 2.319 470 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 470 Q C -0.230 175.770 176.000 -0.000 0.000 0.896 470 Q CA 0.198 56.002 55.803 0.002 0.000 0.942 470 Q CB 1.191 29.930 28.738 0.002 0.000 1.083 470 Q HN 0.137 nan 8.270 nan 0.000 0.510 471 T N 0.841 115.388 114.554 -0.011 0.000 2.904 471 T HA 0.296 4.646 4.350 -0.000 0.000 0.290 471 T C 0.021 174.723 174.700 0.004 0.000 1.018 471 T CA 0.054 62.150 62.100 -0.007 0.000 1.075 471 T CB 1.512 70.369 68.868 -0.018 0.000 0.986 471 T HN -0.122 nan 8.240 nan 0.000 0.523 472 T N 1.677 116.237 114.554 0.009 0.000 2.916 472 T HA 0.573 4.923 4.350 -0.000 0.000 0.298 472 T C -1.091 173.620 174.700 0.017 0.000 1.031 472 T CA -0.497 61.612 62.100 0.015 0.000 0.993 472 T CB 1.469 70.347 68.868 0.016 0.000 1.045 472 T HN 0.355 nan 8.240 nan 0.000 0.454 473 V N 2.491 122.418 119.914 0.021 0.000 2.524 473 V HA 0.651 4.770 4.120 -0.000 0.000 0.297 473 V C 0.316 176.425 176.094 0.024 0.000 1.035 473 V CA -0.223 62.092 62.300 0.024 0.000 0.867 473 V CB 1.183 33.024 31.823 0.030 0.000 1.004 473 V HN 1.306 nan 8.190 nan 0.000 0.426 474 A N 4.088 126.921 122.820 0.022 0.000 2.869 474 A HA 0.088 4.408 4.320 -0.000 0.000 0.280 474 A C 1.690 179.285 177.584 0.019 0.000 1.458 474 A CA 1.303 53.352 52.037 0.020 0.000 0.776 474 A CB -1.591 17.421 19.000 0.021 0.000 1.028 474 A HN 2.685 nan 8.150 nan 0.000 0.547 475 G N -3.226 105.585 108.800 0.018 0.000 2.184 475 G HA2 0.237 4.197 3.960 -0.000 0.000 0.264 475 G HA3 0.237 4.197 3.960 -0.000 0.000 0.264 475 G C 0.712 175.624 174.900 0.020 0.000 0.975 475 G CA 1.391 46.501 45.100 0.018 0.000 0.642 475 G HN 2.698 nan 8.290 nan 0.000 0.536 476 A N 0.309 123.142 122.820 0.023 0.000 2.401 476 A HA 0.923 5.243 4.320 -0.000 0.000 0.310 476 A C -2.329 175.272 177.584 0.029 0.000 1.075 476 A CA -1.302 50.751 52.037 0.027 0.000 0.746 476 A CB 2.221 21.238 19.000 0.027 0.000 1.277 476 A HN 0.165 nan 8.150 nan 0.000 0.425 477 P HA 0.143 nan 4.420 nan 0.000 0.272 477 P C 0.731 178.052 177.300 0.034 0.000 1.223 477 P CA -0.230 62.890 63.100 0.034 0.000 0.784 477 P CB 0.800 32.529 31.700 0.047 0.000 0.923 478 L N 1.521 122.756 121.223 0.020 0.000 1.943 478 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 478 L C 1.566 178.454 176.870 0.031 0.000 1.074 478 L CA 1.619 56.467 54.840 0.013 0.000 0.759 478 L CB -0.631 41.416 42.059 -0.019 0.000 0.888 478 L HN 0.402 nan 8.230 nan 0.000 0.433 479 I N -2.666 117.923 120.570 0.032 0.000 2.664 479 I HA 0.413 4.582 4.170 -0.000 0.000 0.308 479 I C -0.456 175.771 176.117 0.184 0.000 0.984 479 I CA -0.570 60.789 61.300 0.098 0.000 1.213 479 I CB 2.240 40.270 38.000 0.049 0.000 1.379 479 I HN -0.072 nan 8.210 nan 0.000 0.501 480 I N 2.625 123.355 120.570 0.266 0.000 2.686 480 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 480 I C -0.289 175.988 176.117 0.266 0.000 1.114 480 I CA -0.577 60.866 61.300 0.238 0.000 1.038 480 I CB 2.082 40.157 38.000 0.126 0.000 1.238 480 I HN 0.916 nan 8.210 nan 0.000 0.420 481 A N 5.434 128.340 122.820 0.144 0.000 2.327 481 A HA 0.623 4.943 4.320 -0.000 0.000 0.283 481 A C -1.184 176.388 177.584 -0.019 0.000 1.127 481 A CA 0.054 52.003 52.037 -0.147 0.000 0.810 481 A CB 0.210 19.042 19.000 -0.281 0.000 1.066 481 A HN 0.801 nan 8.150 nan 0.000 0.492 482 H N 0.701 119.650 119.070 -0.202 0.000 3.029 482 H HA 0.419 4.975 4.556 -0.000 0.000 0.358 482 H C 0.034 175.259 175.328 -0.172 0.000 1.129 482 H CA 0.324 56.291 56.048 -0.135 0.000 1.230 482 H CB 1.071 30.788 29.762 -0.075 0.000 1.827 482 H HN 0.853 nan 8.280 nan 0.000 0.530 483 D N 2.595 122.618 120.400 -0.627 0.000 4.072 483 D HA -0.223 4.417 4.640 -0.000 0.000 0.146 483 D C 1.078 177.187 176.300 -0.318 0.000 0.777 483 D CA 2.691 56.408 54.000 -0.471 0.000 1.099 483 D CB -1.156 39.368 40.800 -0.460 0.000 0.497 483 D HN 0.763 nan 8.370 nan 0.000 0.483 484 G N -0.037 108.597 108.800 -0.276 0.000 4.100 484 G HA2 0.517 4.477 3.960 -0.000 0.000 0.294 484 G HA3 0.517 4.477 3.960 -0.000 0.000 0.294 484 G C 0.122 174.869 174.900 -0.256 0.000 1.040 484 G CA 0.568 45.515 45.100 -0.255 0.000 0.829 484 G HN 0.659 nan 8.290 nan 0.000 0.505 485 V N -5.422 114.335 119.914 -0.262 0.000 3.119 485 V HA 0.816 4.936 4.120 -0.000 0.000 0.311 485 V C -1.225 174.745 176.094 -0.206 0.000 1.259 485 V CA -1.865 60.374 62.300 -0.101 0.000 1.067 485 V CB 2.077 33.988 31.823 0.147 0.000 1.123 485 V HN 0.088 nan 8.190 nan 0.000 0.463 486 W N 1.165 122.555 121.300 0.151 0.000 2.781 486 W HA 0.847 5.507 4.660 -0.000 0.000 0.345 486 W C -1.377 175.215 176.519 0.121 0.000 1.085 486 W CA -0.479 56.931 57.345 0.108 0.000 1.198 486 W CB 2.042 31.539 29.460 0.061 0.000 1.423 486 W HN 0.854 nan 8.180 nan 0.000 0.532 487 L N 0.997 122.428 121.223 0.347 0.000 2.582 487 L HA 0.507 4.847 4.340 -0.000 0.000 0.257 487 L C -0.884 176.076 176.870 0.151 0.000 0.974 487 L CA -1.085 53.885 54.840 0.217 0.000 0.851 487 L CB 0.031 42.204 42.059 0.190 0.000 1.424 487 L HN 0.132 nan 8.230 nan 0.000 0.412 488 L N 2.016 123.298 121.223 0.098 0.000 2.593 488 L HA 0.475 4.815 4.340 -0.000 0.000 0.287 488 L C 0.985 177.896 176.870 0.068 0.000 1.243 488 L CA 1.297 56.179 54.840 0.070 0.000 0.890 488 L CB 0.244 42.341 42.059 0.063 0.000 1.134 488 L HN 0.958 nan 8.230 nan 0.000 0.502 489 G N 3.271 112.108 108.800 0.061 0.000 2.467 489 G HA2 0.082 4.042 3.960 -0.000 0.000 0.257 489 G HA3 0.082 4.042 3.960 -0.000 0.000 0.257 489 G C 0.742 175.666 174.900 0.039 0.000 1.227 489 G CA -0.353 44.777 45.100 0.050 0.000 0.835 489 G HN 0.874 nan 8.290 nan 0.000 0.556 490 N N 0.940 119.656 118.700 0.027 0.000 2.322 490 N HA -0.178 4.561 4.740 -0.000 0.000 0.189 490 N C 2.397 177.921 175.510 0.024 0.000 1.012 490 N CA 1.411 54.474 53.050 0.021 0.000 0.880 490 N CB 0.027 38.521 38.487 0.010 0.000 0.967 490 N HN 0.603 nan 8.380 nan 0.000 0.439 491 A N 0.059 122.896 122.820 0.028 0.000 1.865 491 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 491 A C 2.354 179.958 177.584 0.033 0.000 1.191 491 A CA 1.522 53.575 52.037 0.028 0.000 0.623 491 A CB -1.007 18.010 19.000 0.029 0.000 0.826 491 A HN 0.490 nan 8.150 nan 0.000 0.444 492 C N -1.359 117.968 119.300 0.044 0.000 2.486 492 C HA 0.051 4.510 4.460 -0.000 0.000 0.279 492 C C 2.730 177.754 174.990 0.056 0.000 1.302 492 C CA 0.599 59.653 59.018 0.060 0.000 1.720 492 C CB -1.323 26.468 27.740 0.084 0.000 2.030 492 C HN 0.596 nan 8.230 nan 0.000 0.490 493 R N 1.218 121.749 120.500 0.052 0.000 2.119 493 R HA -0.162 4.178 4.340 -0.000 0.000 0.246 493 R C 2.060 178.375 176.300 0.024 0.000 1.146 493 R CA 1.450 57.575 56.100 0.041 0.000 0.962 493 R CB -0.328 29.992 30.300 0.034 0.000 0.863 493 R HN 0.602 nan 8.270 nan 0.000 0.442 494 E N 0.321 120.533 120.200 0.020 0.000 2.150 494 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 494 E C 1.986 178.591 176.600 0.008 0.000 0.985 494 E CA 0.882 57.289 56.400 0.012 0.000 0.814 494 E CB 0.004 29.712 29.700 0.012 0.000 0.752 494 E HN 0.354 nan 8.360 nan 0.000 0.466 495 I N 0.483 121.060 120.570 0.013 0.000 2.406 495 I HA -0.147 4.023 4.170 -0.000 0.000 0.249 495 I C 2.176 178.286 176.117 -0.011 0.000 1.122 495 I CA 0.610 61.914 61.300 0.006 0.000 1.431 495 I CB -0.889 37.122 38.000 0.018 0.000 1.087 495 I HN 0.083 nan 8.210 nan 0.000 0.424 496 L N 0.632 121.849 121.223 -0.010 0.000 2.313 496 L HA -0.010 4.329 4.340 -0.000 0.000 0.214 496 L C 2.486 179.327 176.870 -0.049 0.000 1.119 496 L CA 0.966 55.777 54.840 -0.048 0.000 0.809 496 L CB -1.081 40.955 42.059 -0.037 0.000 0.933 496 L HN 0.273 nan 8.230 nan 0.000 0.449 497 R N 0.345 120.831 120.500 -0.024 0.000 2.200 497 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 497 R C 0.491 176.773 176.300 -0.029 0.000 1.127 497 R CA 0.680 56.767 56.100 -0.022 0.000 0.989 497 R CB 0.028 30.322 30.300 -0.010 0.000 0.869 497 R HN 0.165 nan 8.270 nan 0.000 0.459 498 K N 1.048 121.429 120.400 -0.032 0.000 2.997 498 K HA 0.131 4.451 4.320 -0.000 0.000 0.249 498 K C 0.331 176.902 176.600 -0.048 0.000 1.284 498 K CA 0.048 56.316 56.287 -0.032 0.000 1.245 498 K CB 0.915 33.400 32.500 -0.024 0.000 1.670 498 K HN -0.017 nan 8.250 nan 0.000 0.385 499 V N -0.977 118.902 119.914 -0.057 0.000 3.240 499 V HA 0.217 4.337 4.120 -0.000 0.000 0.218 499 V C 0.478 176.539 176.094 -0.056 0.000 1.190 499 V CA 0.361 62.617 62.300 -0.073 0.000 1.280 499 V CB 0.497 32.254 31.823 -0.109 0.000 1.244 499 V HN 0.525 nan 8.190 nan 0.000 0.512 500 E N 0.000 120.170 120.200 -0.050 0.000 2.725 500 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 500 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 500 E CB 0.000 29.678 29.700 -0.037 0.000 0.812 500 E HN 0.000 nan 8.360 nan 0.000 0.440