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 3m2r_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADKLFINALK KKFEESPEEK KTTFYTLGGW KQSERKTEFV NAGKEVAAKR DATA SEQUENCE GIPQYNPDIG TPLGQRVLMP YQVSTTDTYV EGDDLHFVNN AAMQQMWDDI DATA SEQUENCE RRTVIVGLNH AHAVIEKRLG KEVTPETITH YLETVNHAMP GAAVVQEHMV DATA SEQUENCE ETHPALVADS YVKVFTGNDE IADEIDPAFV IDINKQFPED QAETLKAEVG DATA SEQUENCE DGIWQVVRIP TIVSRTCDGA TTSRWSAMQI GMSMISAYKQ AAGEAATGDF DATA SEQUENCE AYAAKXAEVI HMGTYLPVRX ARGENEPGGV PFGYLADICQ SSRVNYEDPV DATA SEQUENCE RVSLDVVATG AMLYDQIWLG SYMSGGVGFT QYATAAYTDN ILDDFTYFGK DATA SEQUENCE EYVEDKYGLC EAPNNMDTVL DVATEVTFYG LEQYEEYPAL LEDQFGGSXR DATA SEQUENCE AAVVAAAAGC STAFATGNAQ TGLSGWYLSM YLHKEQHSRL GFYXYDLQDQ DATA SEQUENCE XGASNVFSIR GDEGLPLELR GPNYPNYAMN VGHQGEYAGI SQAPHAARGD DATA SEQUENCE AFVFNPLVKI AFADDNLVFD FTNVRGEFAK GALREFEPAG ERALITPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.571 177.584 -0.021 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.983 19.000 -0.027 0.000 0.831 3 D N 2.091 122.465 120.400 -0.043 0.000 2.506 3 D HA 0.213 4.866 4.640 0.022 0.000 0.234 3 D C 0.285 176.477 176.300 -0.179 0.000 1.143 3 D CA 0.508 54.456 54.000 -0.087 0.000 0.871 3 D CB 0.568 41.312 40.800 -0.093 0.000 1.190 3 D HN 0.328 nan 8.370 nan 0.000 0.459 4 K N 1.840 122.055 120.400 -0.308 0.000 2.397 4 K HA 0.020 4.354 4.320 0.022 0.000 0.265 4 K C 1.378 177.597 176.600 -0.635 0.000 0.982 4 K CA -0.041 55.893 56.287 -0.588 0.000 0.931 4 K CB 0.222 31.974 32.500 -1.247 0.000 0.943 4 K HN 0.395 nan 8.250 nan 0.000 0.501 5 L N 1.230 122.164 121.223 -0.483 0.000 2.376 5 L HA -0.090 4.263 4.340 0.022 0.000 0.219 5 L C 1.630 178.406 176.870 -0.156 0.000 1.133 5 L CA 0.845 55.556 54.840 -0.214 0.000 0.816 5 L CB -0.432 41.612 42.059 -0.026 0.000 0.933 5 L HN 0.555 nan 8.230 nan 0.000 0.449 6 F N -2.528 117.397 119.950 -0.041 0.000 2.797 6 F HA 0.157 4.696 4.527 0.021 0.000 0.302 6 F C 1.978 177.742 175.800 -0.059 0.000 1.130 6 F CA -0.267 57.701 58.000 -0.055 0.000 1.387 6 F CB -0.770 38.172 39.000 -0.096 0.000 1.107 6 F HN -0.151 nan 8.300 nan 0.000 0.577 7 I N 1.599 122.074 120.570 -0.160 0.000 2.226 7 I HA -0.258 3.926 4.170 0.022 0.000 0.245 7 I C 1.901 178.053 176.117 0.058 0.000 1.100 7 I CA 1.094 62.376 61.300 -0.030 0.000 1.374 7 I CB -1.219 36.691 38.000 -0.149 0.000 1.057 7 I HN 0.246 nan 8.210 nan 0.000 0.413 8 N N 1.376 120.105 118.700 0.048 0.000 2.104 8 N HA -0.150 4.604 4.740 0.022 0.000 0.190 8 N C 1.932 177.531 175.510 0.150 0.000 1.024 8 N CA 1.767 54.869 53.050 0.087 0.000 0.853 8 N CB -0.317 38.234 38.487 0.107 0.000 1.008 8 N HN 0.381 nan 8.380 nan 0.000 0.424 9 A N 1.360 124.311 122.820 0.218 0.000 1.902 9 A HA -0.052 4.281 4.320 0.022 0.000 0.217 9 A C 2.404 180.082 177.584 0.157 0.000 1.181 9 A CA 0.913 53.123 52.037 0.288 0.000 0.623 9 A CB -0.746 18.386 19.000 0.220 0.000 0.818 9 A HN 0.223 nan 8.150 nan 0.000 0.443 10 L N -0.739 120.581 121.223 0.161 0.000 2.042 10 L HA -0.223 4.130 4.340 0.022 0.000 0.210 10 L C 2.542 179.489 176.870 0.128 0.000 1.076 10 L CA 1.790 56.731 54.840 0.169 0.000 0.749 10 L CB -0.546 41.671 42.059 0.263 0.000 0.893 10 L HN 0.373 nan 8.230 nan 0.000 0.432 11 K N -0.099 120.361 120.400 0.100 0.000 2.097 11 K HA -0.129 4.204 4.320 0.022 0.000 0.206 11 K C 2.099 178.687 176.600 -0.020 0.000 1.049 11 K CA 0.911 57.233 56.287 0.059 0.000 0.933 11 K CB 0.012 32.535 32.500 0.038 0.000 0.717 11 K HN 0.178 nan 8.250 nan 0.000 0.442 12 K N 0.972 121.323 120.400 -0.082 0.000 2.296 12 K HA -0.047 4.287 4.320 0.022 0.000 0.200 12 K C 1.730 178.193 176.600 -0.228 0.000 1.048 12 K CA 0.923 57.084 56.287 -0.211 0.000 0.966 12 K CB 0.150 32.377 32.500 -0.456 0.000 0.754 12 K HN 0.135 nan 8.250 nan 0.000 0.466 13 K N -0.452 119.773 120.400 -0.292 0.000 2.116 13 K HA 0.014 4.348 4.320 0.022 0.000 0.203 13 K C 0.178 176.368 176.600 -0.683 0.000 1.052 13 K CA 0.837 56.755 56.287 -0.615 0.000 0.952 13 K CB 0.135 31.895 32.500 -1.234 0.000 0.729 13 K HN -0.086 nan 8.250 nan 0.000 0.446 14 F N -0.114 119.824 119.950 -0.020 0.000 2.576 14 F HA 0.250 4.790 4.527 0.022 0.000 0.313 14 F C 1.030 176.812 175.800 -0.030 0.000 1.078 14 F CA -1.219 56.766 58.000 -0.026 0.000 0.921 14 F CB 1.682 40.676 39.000 -0.011 0.000 1.232 14 F HN -0.215 nan 8.300 nan 0.000 0.459 15 E N 0.226 120.529 120.200 0.171 0.000 2.106 15 E HA -0.111 4.253 4.350 0.022 0.000 0.192 15 E C -0.126 176.513 176.600 0.065 0.000 0.984 15 E CA 0.959 57.401 56.400 0.071 0.000 0.806 15 E CB 0.108 29.825 29.700 0.029 0.000 0.750 15 E HN 0.581 nan 8.360 nan 0.000 0.458 16 E N 0.850 121.092 120.200 0.069 0.000 2.408 16 E HA 0.063 4.427 4.350 0.022 0.000 0.259 16 E C -0.322 176.325 176.600 0.079 0.000 1.110 16 E CA -0.035 56.386 56.400 0.036 0.000 0.929 16 E CB 0.823 30.507 29.700 -0.026 0.000 0.971 16 E HN -0.140 nan 8.360 nan 0.000 0.438 17 S N 1.762 117.499 115.700 0.062 0.000 2.573 17 S HA 0.056 4.539 4.470 0.022 0.000 0.277 17 S C -1.560 173.118 174.600 0.130 0.000 1.346 17 S CA -1.279 56.977 58.200 0.093 0.000 1.034 17 S CB 0.367 63.612 63.200 0.075 0.000 0.879 17 S HN 0.360 nan 8.310 nan 0.000 0.528 18 P HA 0.030 nan 4.420 nan 0.000 0.229 18 P C 0.239 177.719 177.300 0.299 0.000 1.160 18 P CA 0.727 63.992 63.100 0.276 0.000 0.777 18 P CB 0.056 31.956 31.700 0.333 0.000 0.814 19 E N -0.186 120.148 120.200 0.223 0.000 2.481 19 E HA -0.005 4.359 4.350 0.022 0.000 0.195 19 E C 0.411 177.015 176.600 0.007 0.000 1.047 19 E CA 0.211 56.655 56.400 0.073 0.000 0.867 19 E CB -0.447 29.259 29.700 0.011 0.000 0.858 19 E HN 0.467 nan 8.360 nan 0.000 0.513 20 E N 0.847 121.055 120.200 0.013 0.000 2.392 20 E HA 0.039 4.402 4.350 0.022 0.000 0.264 20 E C 0.468 177.034 176.600 -0.058 0.000 1.024 20 E CA 0.153 56.535 56.400 -0.030 0.000 0.903 20 E CB 0.750 30.426 29.700 -0.040 0.000 0.963 20 E HN 0.069 nan 8.360 nan 0.000 0.432 21 K N 1.704 122.065 120.400 -0.065 0.000 2.356 21 K HA 0.086 4.419 4.320 0.022 0.000 0.195 21 K C 0.196 176.744 176.600 -0.086 0.000 1.037 21 K CA 0.622 56.868 56.287 -0.068 0.000 1.014 21 K CB 0.433 32.901 32.500 -0.055 0.000 0.815 21 K HN 0.235 nan 8.250 nan 0.000 0.507 22 K N -0.062 120.274 120.400 -0.107 0.000 2.395 22 K HA 0.355 4.689 4.320 0.022 0.000 0.247 22 K C -0.606 175.865 176.600 -0.214 0.000 0.973 22 K CA -0.530 55.675 56.287 -0.137 0.000 0.828 22 K CB 2.425 34.865 32.500 -0.101 0.000 1.272 22 K HN -0.185 nan 8.250 nan 0.000 0.439 23 T N -0.596 113.762 114.554 -0.327 0.000 2.647 23 T HA 0.478 4.841 4.350 0.022 0.000 0.295 23 T C -1.447 172.911 174.700 -0.570 0.000 1.126 23 T CA -0.354 61.467 62.100 -0.465 0.000 1.040 23 T CB 1.874 70.370 68.868 -0.621 0.000 1.472 23 T HN 0.480 nan 8.240 nan 0.000 0.500 24 T N 1.433 115.612 114.554 -0.625 0.000 2.916 24 T HA 0.736 5.100 4.350 0.022 0.000 0.298 24 T C -1.465 172.866 174.700 -0.615 0.000 1.031 24 T CA -0.278 61.520 62.100 -0.504 0.000 0.993 24 T CB 0.746 69.490 68.868 -0.207 0.000 1.045 24 T HN 0.365 nan 8.240 nan 0.000 0.454 25 F N 0.661 120.411 119.950 -0.334 0.000 2.631 25 F HA 0.555 5.095 4.527 0.022 0.000 0.350 25 F C 0.222 175.705 175.800 -0.528 0.000 1.080 25 F CA -1.135 56.476 58.000 -0.648 0.000 1.026 25 F CB 0.460 38.679 39.000 -1.302 0.000 1.347 25 F HN 0.690 nan 8.300 nan 0.000 0.501 26 Y N -1.931 118.492 120.300 0.206 0.000 4.907 26 Y HA -0.249 4.315 4.550 0.022 0.000 0.246 26 Y C 1.148 177.074 175.900 0.044 0.000 0.968 26 Y CA 0.590 58.745 58.100 0.093 0.000 1.961 26 Y CB -2.810 35.696 38.460 0.077 0.000 1.487 26 Y HN 0.587 nan 8.280 nan 0.000 0.575 27 T N -3.529 111.087 114.554 0.104 0.000 3.182 27 T HA 0.496 4.859 4.350 0.022 0.000 0.277 27 T C 0.800 175.509 174.700 0.014 0.000 1.013 27 T CA 0.072 62.205 62.100 0.054 0.000 0.900 27 T CB -0.235 68.651 68.868 0.029 0.000 1.098 27 T HN 0.392 nan 8.240 nan 0.000 0.543 28 L N 0.683 121.913 121.223 0.011 0.000 2.640 28 L HA 0.442 4.795 4.340 0.022 0.000 0.230 28 L C 1.781 178.617 176.870 -0.058 0.000 1.123 28 L CA 0.201 55.030 54.840 -0.018 0.000 0.900 28 L CB -0.108 41.950 42.059 -0.002 0.000 1.146 28 L HN 0.574 nan 8.230 nan 0.000 0.484 29 G N 0.423 109.184 108.800 -0.064 0.000 2.176 29 G HA2 -0.161 3.812 3.960 0.022 0.000 0.252 29 G HA3 -0.161 3.812 3.960 0.022 0.000 0.252 29 G C 0.833 175.607 174.900 -0.210 0.000 1.024 29 G CA 0.307 45.319 45.100 -0.147 0.000 0.755 29 G HN 0.710 nan 8.290 nan 0.000 0.507 30 G N 0.119 108.870 108.800 -0.080 0.000 2.556 30 G HA2 -0.287 3.687 3.960 0.022 0.000 0.283 30 G HA3 -0.287 3.687 3.960 0.022 0.000 0.283 30 G C 1.323 176.226 174.900 0.005 0.000 1.177 30 G CA 1.534 46.620 45.100 -0.024 0.000 0.978 30 G HN 1.727 nan 8.290 nan 0.000 0.554 31 W N 0.907 122.233 121.300 0.044 0.000 2.525 31 W HA 0.122 4.795 4.660 0.022 0.000 0.259 31 W C 1.744 178.279 176.519 0.027 0.000 1.253 31 W CA 1.145 58.517 57.345 0.046 0.000 1.262 31 W CB -0.594 28.915 29.460 0.083 0.000 1.122 31 W HN 0.499 nan 8.180 nan 0.000 0.607 32 K N 1.452 121.533 120.400 -0.532 0.000 2.439 32 K HA -0.174 4.159 4.320 0.022 0.000 0.197 32 K C 2.251 178.740 176.600 -0.185 0.000 1.041 32 K CA 1.556 57.507 56.287 -0.561 0.000 0.970 32 K CB -0.234 31.800 32.500 -0.776 0.000 0.773 32 K HN 0.401 nan 8.250 nan 0.000 0.479 33 Q N 0.368 120.108 119.800 -0.101 0.000 2.364 33 Q HA -0.029 4.324 4.340 0.022 0.000 0.207 33 Q C 0.543 176.539 176.000 -0.007 0.000 0.970 33 Q CA 0.712 56.489 55.803 -0.044 0.000 0.888 33 Q CB 0.169 28.893 28.738 -0.024 0.000 0.951 33 Q HN -0.046 nan 8.270 nan 0.000 0.469 34 S N -0.117 115.606 115.700 0.038 0.000 2.454 34 S HA 0.113 4.596 4.470 0.022 0.000 0.306 34 S C 0.457 175.070 174.600 0.021 0.000 1.100 34 S CA -0.699 57.517 58.200 0.027 0.000 1.087 34 S CB 1.797 65.025 63.200 0.046 0.000 1.019 34 S HN 0.444 nan 8.310 nan 0.000 0.480 35 E N 3.533 123.722 120.200 -0.017 0.000 2.077 35 E HA -0.194 4.170 4.350 0.022 0.000 0.193 35 E C 1.864 178.402 176.600 -0.103 0.000 0.989 35 E CA 1.028 57.410 56.400 -0.030 0.000 0.800 35 E CB -0.062 29.618 29.700 -0.032 0.000 0.746 35 E HN 0.637 nan 8.360 nan 0.000 0.452 36 R N 0.698 121.080 120.500 -0.197 0.000 2.073 36 R HA -0.041 4.312 4.340 0.022 0.000 0.229 36 R C 2.114 177.969 176.300 -0.741 0.000 1.120 36 R CA 1.370 57.181 56.100 -0.482 0.000 0.967 36 R CB -0.011 30.003 30.300 -0.478 0.000 0.862 36 R HN -0.003 nan 8.270 nan 0.000 0.436 37 K N -0.412 119.761 120.400 -0.379 0.000 2.097 37 K HA -0.043 4.291 4.320 0.022 0.000 0.206 37 K C 1.984 178.545 176.600 -0.066 0.000 1.049 37 K CA 1.839 58.004 56.287 -0.203 0.000 0.933 37 K CB -0.607 31.989 32.500 0.160 0.000 0.717 37 K HN 0.229 nan 8.250 nan 0.000 0.442 38 T N 1.450 116.058 114.554 0.091 0.000 2.746 38 T HA -0.154 4.209 4.350 0.022 0.000 0.267 38 T C 1.809 176.522 174.700 0.022 0.000 1.039 38 T CA 1.376 63.596 62.100 0.200 0.000 1.142 38 T CB -0.064 68.953 68.868 0.249 0.000 0.866 38 T HN 0.407 nan 8.240 nan 0.000 0.444 39 E N -0.021 120.147 120.200 -0.054 0.000 2.070 39 E HA -0.171 4.192 4.350 0.022 0.000 0.197 39 E C 1.796 178.425 176.600 0.048 0.000 1.004 39 E CA 1.203 57.592 56.400 -0.018 0.000 0.805 39 E CB -0.119 29.558 29.700 -0.039 0.000 0.744 39 E HN 0.398 nan 8.360 nan 0.000 0.451 40 F N 0.404 120.186 119.950 -0.281 0.000 2.146 40 F HA -0.125 4.416 4.527 0.022 0.000 0.298 40 F C 2.450 177.889 175.800 -0.602 0.000 1.096 40 F CA 0.510 58.163 58.000 -0.577 0.000 1.275 40 F CB -1.140 37.314 39.000 -0.910 0.000 1.008 40 F HN -0.040 nan 8.300 nan 0.000 0.480 41 V N 0.556 120.330 119.914 -0.233 0.000 2.295 41 V HA -0.318 3.815 4.120 0.022 0.000 0.246 41 V C 1.928 177.960 176.094 -0.102 0.000 1.049 41 V CA 2.171 64.349 62.300 -0.203 0.000 1.024 41 V CB -0.937 30.512 31.823 -0.622 0.000 0.648 41 V HN 0.348 nan 8.190 nan 0.000 0.447 42 N N 0.237 118.896 118.700 -0.068 0.000 2.142 42 N HA -0.120 4.633 4.740 0.022 0.000 0.186 42 N C 1.908 177.404 175.510 -0.025 0.000 1.023 42 N CA 1.192 54.232 53.050 -0.016 0.000 0.852 42 N CB -0.322 38.174 38.487 0.015 0.000 0.998 42 N HN 0.484 nan 8.380 nan 0.000 0.424 43 A N 0.845 123.638 122.820 -0.045 0.000 1.930 43 A HA -0.003 4.331 4.320 0.022 0.000 0.217 43 A C 2.358 179.902 177.584 -0.066 0.000 1.175 43 A CA 1.674 53.675 52.037 -0.059 0.000 0.627 43 A CB -1.201 17.748 19.000 -0.085 0.000 0.815 43 A HN 0.385 nan 8.150 nan 0.000 0.443 44 G N -0.125 108.632 108.800 -0.072 0.000 2.440 44 G HA2 -0.260 3.714 3.960 0.022 0.000 0.218 44 G HA3 -0.260 3.714 3.960 0.022 0.000 0.218 44 G C 1.676 176.582 174.900 0.010 0.000 1.154 44 G CA 1.184 46.286 45.100 0.004 0.000 0.767 44 G HN 0.588 nan 8.290 nan 0.000 0.552 45 K N 0.081 120.483 120.400 0.004 0.000 2.057 45 K HA -0.036 4.297 4.320 0.022 0.000 0.206 45 K C 2.351 178.950 176.600 -0.000 0.000 1.050 45 K CA 1.194 57.484 56.287 0.005 0.000 0.935 45 K CB -0.123 32.382 32.500 0.008 0.000 0.715 45 K HN 0.470 nan 8.250 nan 0.000 0.439 46 E N 0.854 121.051 120.200 -0.006 0.000 2.031 46 E HA -0.175 4.188 4.350 0.022 0.000 0.193 46 E C 1.964 178.557 176.600 -0.012 0.000 0.994 46 E CA 1.163 57.559 56.400 -0.007 0.000 0.800 46 E CB 0.122 29.816 29.700 -0.010 0.000 0.752 46 E HN -0.002 nan 8.360 nan 0.000 0.447 47 V N 1.357 121.259 119.914 -0.020 0.000 2.287 47 V HA -0.312 3.821 4.120 0.022 0.000 0.248 47 V C 2.478 178.563 176.094 -0.015 0.000 1.053 47 V CA 2.000 64.287 62.300 -0.023 0.000 1.027 47 V CB -0.837 30.965 31.823 -0.036 0.000 0.646 47 V HN 0.488 nan 8.190 nan 0.000 0.447 48 A N -0.315 122.499 122.820 -0.009 0.000 1.902 48 A HA -0.098 4.235 4.320 0.022 0.000 0.217 48 A C 2.407 179.988 177.584 -0.005 0.000 1.181 48 A CA 2.087 54.120 52.037 -0.007 0.000 0.623 48 A CB -0.734 18.265 19.000 -0.003 0.000 0.818 48 A HN 0.581 nan 8.150 nan 0.000 0.443 49 A N -0.155 122.663 122.820 -0.003 0.000 1.873 49 A HA -0.154 4.179 4.320 0.022 0.000 0.215 49 A C 2.131 179.713 177.584 -0.003 0.000 1.186 49 A CA 1.987 54.023 52.037 -0.002 0.000 0.616 49 A CB -0.499 18.501 19.000 0.001 0.000 0.823 49 A HN 0.551 nan 8.150 nan 0.000 0.442 50 K N 0.143 120.539 120.400 -0.005 0.000 2.032 50 K HA -0.216 4.117 4.320 0.022 0.000 0.209 50 K C 2.183 178.779 176.600 -0.006 0.000 1.048 50 K CA 1.902 58.185 56.287 -0.006 0.000 0.927 50 K CB -0.192 32.303 32.500 -0.009 0.000 0.712 50 K HN 0.615 nan 8.250 nan 0.000 0.441 51 R N -0.984 119.511 120.500 -0.008 0.000 2.300 51 R HA 0.106 4.460 4.340 0.022 0.000 0.199 51 R C 0.849 177.144 176.300 -0.007 0.000 0.920 51 R CA 0.804 56.899 56.100 -0.009 0.000 1.046 51 R CB 0.145 30.438 30.300 -0.012 0.000 0.984 51 R HN 0.291 nan 8.270 nan 0.000 0.493 52 G N 1.682 110.478 108.800 -0.006 0.000 2.176 52 G HA2 -0.233 3.741 3.960 0.022 0.000 0.252 52 G HA3 -0.233 3.741 3.960 0.022 0.000 0.252 52 G C -0.141 174.755 174.900 -0.007 0.000 1.024 52 G CA 0.578 45.675 45.100 -0.005 0.000 0.755 52 G HN 0.391 nan 8.290 nan 0.000 0.507 53 I N -0.302 120.263 120.570 -0.008 0.000 2.571 53 I HA 0.295 4.478 4.170 0.022 0.000 0.289 53 I C -2.406 173.704 176.117 -0.011 0.000 1.115 53 I CA -2.527 58.767 61.300 -0.010 0.000 1.045 53 I CB 2.523 40.515 38.000 -0.012 0.000 1.238 53 I HN -0.188 nan 8.210 nan 0.000 0.424 54 P HA 0.013 nan 4.420 nan 0.000 0.266 54 P C -0.627 176.663 177.300 -0.017 0.000 1.186 54 P CA 0.299 63.390 63.100 -0.014 0.000 0.767 54 P CB 0.890 32.579 31.700 -0.019 0.000 0.820 55 Q N 2.077 121.870 119.800 -0.011 0.000 2.920 55 Q HA 0.178 4.531 4.340 0.022 0.000 0.313 55 Q C -0.748 175.261 176.000 0.014 0.000 0.976 55 Q CA -0.497 55.305 55.803 -0.002 0.000 0.678 55 Q CB 0.181 28.920 28.738 0.002 0.000 3.697 55 Q HN 0.288 nan 8.270 nan 0.000 0.280 56 Y N 2.906 123.147 120.300 -0.098 0.000 2.620 56 Y HA 0.171 4.734 4.550 0.022 0.000 0.330 56 Y C -0.697 175.138 175.900 -0.109 0.000 1.186 56 Y CA 0.776 58.810 58.100 -0.110 0.000 1.467 56 Y CB 0.363 38.742 38.460 -0.136 0.000 1.262 56 Y HN 0.401 nan 8.280 nan 0.000 0.550 57 N N 7.886 126.342 118.700 -0.407 0.000 2.503 57 N HA 0.253 5.006 4.740 0.022 0.000 0.287 57 N C -2.543 172.720 175.510 -0.411 0.000 1.096 57 N CA -1.935 50.966 53.050 -0.248 0.000 0.936 57 N CB 2.097 40.497 38.487 -0.145 0.000 1.570 57 N HN 0.351 nan 8.380 nan 0.000 0.504 58 P HA 0.099 nan 4.420 nan 0.000 0.237 58 P C -0.318 176.914 177.300 -0.114 0.000 1.178 58 P CA 0.696 63.603 63.100 -0.322 0.000 0.766 58 P CB 0.571 31.913 31.700 -0.595 0.000 0.876 59 D N -0.682 119.673 120.400 -0.075 0.000 2.369 59 D HA 0.115 4.769 4.640 0.022 0.000 0.211 59 D C 0.692 176.971 176.300 -0.034 0.000 1.077 59 D CA -0.018 53.978 54.000 -0.007 0.000 0.842 59 D CB 0.330 41.145 40.800 0.025 0.000 0.947 59 D HN 0.145 nan 8.370 nan 0.000 0.509 60 I N 0.829 121.348 120.570 -0.084 0.000 2.428 60 I HA 0.333 4.517 4.170 0.022 0.000 0.289 60 I C 1.586 177.665 176.117 -0.064 0.000 1.019 60 I CA 0.353 61.607 61.300 -0.076 0.000 1.351 60 I CB 0.483 38.413 38.000 -0.118 0.000 1.412 60 I HN 0.134 nan 8.210 nan 0.000 0.513 61 G N 5.313 114.089 108.800 -0.040 0.000 2.645 61 G HA2 -0.192 3.781 3.960 0.022 0.000 0.239 61 G HA3 -0.192 3.781 3.960 0.022 0.000 0.239 61 G C 0.015 174.907 174.900 -0.014 0.000 1.331 61 G CA -0.097 44.985 45.100 -0.030 0.000 0.890 61 G HN 0.917 nan 8.290 nan 0.000 0.572 62 T N -0.144 114.406 114.554 -0.006 0.000 2.899 62 T HA 0.672 5.035 4.350 0.022 0.000 0.284 62 T C -2.127 172.591 174.700 0.030 0.000 1.004 62 T CA -0.491 61.615 62.100 0.011 0.000 1.043 62 T CB 2.010 70.883 68.868 0.008 0.000 1.013 62 T HN 0.769 nan 8.240 nan 0.000 0.518 63 P HA 0.357 nan 4.420 nan 0.000 0.283 63 P C -0.143 177.220 177.300 0.105 0.000 1.412 63 P CA -0.568 62.592 63.100 0.099 0.000 0.912 63 P CB 0.368 32.127 31.700 0.099 0.000 1.132 64 L N 2.089 123.386 121.223 0.124 0.000 2.516 64 L HA 0.165 4.518 4.340 0.022 0.000 0.288 64 L C 1.574 178.519 176.870 0.125 0.000 1.246 64 L CA 1.081 55.991 54.840 0.117 0.000 0.844 64 L CB -0.419 41.729 42.059 0.148 0.000 1.106 64 L HN 0.775 nan 8.230 nan 0.000 0.509 65 G N 1.287 110.135 108.800 0.079 0.000 2.171 65 G HA2 -0.201 3.773 3.960 0.022 0.000 0.238 65 G HA3 -0.201 3.773 3.960 0.022 0.000 0.238 65 G C 0.650 175.584 174.900 0.057 0.000 1.039 65 G CA -0.170 44.971 45.100 0.068 0.000 0.759 65 G HN 0.624 nan 8.290 nan 0.000 0.501 66 Q N -0.772 119.058 119.800 0.049 0.000 2.378 66 Q HA 0.035 4.388 4.340 0.022 0.000 0.205 66 Q C 1.812 177.800 176.000 -0.021 0.000 0.954 66 Q CA 1.556 57.403 55.803 0.074 0.000 0.901 66 Q CB 0.125 28.946 28.738 0.138 0.000 0.981 66 Q HN 0.974 nan 8.270 nan 0.000 0.483 67 R N -1.660 118.823 120.500 -0.029 0.000 2.893 67 R HA 0.585 4.938 4.340 0.022 0.000 0.245 67 R C -0.289 176.067 176.300 0.094 0.000 1.192 67 R CA -0.861 55.279 56.100 0.066 0.000 1.077 67 R CB 0.564 30.847 30.300 -0.028 0.000 1.253 67 R HN -0.275 nan 8.270 nan 0.000 0.505 68 V N 2.067 122.073 119.914 0.154 0.000 2.540 68 V HA 0.035 4.168 4.120 0.022 0.000 0.297 68 V C 0.328 176.465 176.094 0.071 0.000 1.024 68 V CA 0.117 62.489 62.300 0.121 0.000 1.105 68 V CB 0.351 32.301 31.823 0.211 0.000 0.938 68 V HN 0.439 nan 8.190 nan 0.000 0.482 69 L N 7.042 128.282 121.223 0.028 0.000 2.295 69 L HA 0.357 4.710 4.340 0.022 0.000 0.288 69 L C 0.304 177.142 176.870 -0.054 0.000 1.079 69 L CA 0.126 54.971 54.840 0.009 0.000 0.830 69 L CB 0.424 42.504 42.059 0.035 0.000 1.200 69 L HN 0.582 nan 8.230 nan 0.000 0.438 70 M N 5.627 125.147 119.600 -0.133 0.000 2.255 70 M HA 0.324 4.818 4.480 0.022 0.000 0.336 70 M C -2.048 174.038 176.300 -0.356 0.000 1.135 70 M CA -1.566 53.545 55.300 -0.314 0.000 1.145 70 M CB 0.772 33.058 32.600 -0.524 0.000 1.473 70 M HN 0.273 nan 8.290 nan 0.000 0.462 71 P HA 0.224 nan 4.420 nan 0.000 0.276 71 P C -1.799 175.308 177.300 -0.320 0.000 1.244 71 P CA -0.119 62.888 63.100 -0.156 0.000 0.801 71 P CB 0.516 32.222 31.700 0.011 0.000 1.006 72 Y N -0.994 119.351 120.300 0.075 0.000 2.409 72 Y HA 0.336 4.899 4.550 0.022 0.000 0.343 72 Y C 0.899 176.732 175.900 -0.111 0.000 0.973 72 Y CA -0.640 57.464 58.100 0.007 0.000 1.064 72 Y CB 2.051 40.506 38.460 -0.009 0.000 1.207 72 Y HN 0.330 nan 8.280 nan 0.000 0.452 73 Q N 2.386 122.093 119.800 -0.155 0.000 2.288 73 Q HA 0.429 4.783 4.340 0.022 0.000 0.258 73 Q C -1.180 174.727 176.000 -0.154 0.000 0.957 73 Q CA -0.498 54.969 55.803 -0.560 0.000 0.919 73 Q CB 0.923 29.267 28.738 -0.657 0.000 1.185 73 Q HN 0.601 nan 8.270 nan 0.000 0.408 74 V N 4.064 123.920 119.914 -0.097 0.000 2.470 74 V HA 0.066 4.200 4.120 0.022 0.000 0.276 74 V C 0.102 176.215 176.094 0.032 0.000 1.040 74 V CA -0.182 62.164 62.300 0.077 0.000 1.008 74 V CB 1.206 33.109 31.823 0.133 0.000 0.990 74 V HN 0.836 nan 8.190 nan 0.000 0.477 75 S N 3.791 119.546 115.700 0.092 0.000 2.560 75 S HA 0.227 4.711 4.470 0.022 0.000 0.284 75 S C 1.211 175.843 174.600 0.052 0.000 1.327 75 S CA 0.554 58.794 58.200 0.067 0.000 1.055 75 S CB 0.575 63.836 63.200 0.102 0.000 0.868 75 S HN 1.475 nan 8.310 nan 0.000 0.506 76 T N -1.481 113.098 114.554 0.041 0.000 6.412 76 T HA -0.240 4.124 4.350 0.022 0.000 0.279 76 T C 0.148 174.854 174.700 0.011 0.000 2.177 76 T CA 1.492 63.611 62.100 0.032 0.000 3.599 76 T CB -2.696 66.190 68.868 0.030 0.000 1.259 76 T HN 1.087 nan 8.240 nan 0.000 1.146 77 T N -2.057 112.497 114.554 -0.001 0.000 2.927 77 T HA 0.659 5.022 4.350 0.022 0.000 0.286 77 T C -0.453 174.238 174.700 -0.015 0.000 1.040 77 T CA -0.303 61.793 62.100 -0.005 0.000 1.010 77 T CB 2.185 71.050 68.868 -0.004 0.000 1.177 77 T HN 0.040 nan 8.240 nan 0.000 0.546 78 D N 1.046 121.458 120.400 0.020 0.000 2.615 78 D HA 0.211 4.864 4.640 0.022 0.000 0.236 78 D C -0.303 176.059 176.300 0.103 0.000 1.233 78 D CA -0.072 53.973 54.000 0.074 0.000 0.829 78 D CB 0.421 41.296 40.800 0.124 0.000 1.024 78 D HN 0.514 nan 8.370 nan 0.000 0.490 79 T N 0.738 115.288 114.554 -0.007 0.000 2.771 79 T HA 0.261 4.624 4.350 0.022 0.000 0.291 79 T C -0.378 174.281 174.700 -0.068 0.000 0.954 79 T CA -0.086 62.041 62.100 0.044 0.000 1.045 79 T CB 0.660 69.558 68.868 0.050 0.000 0.917 79 T HN -0.041 nan 8.240 nan 0.000 0.484 80 Y N 2.327 122.665 120.300 0.064 0.000 2.328 80 Y HA 0.557 5.121 4.550 0.022 0.000 0.336 80 Y C 0.135 176.074 175.900 0.064 0.000 0.960 80 Y CA -0.939 57.198 58.100 0.061 0.000 1.134 80 Y CB 1.505 39.976 38.460 0.019 0.000 1.166 80 Y HN 0.487 nan 8.280 nan 0.000 0.464 81 V N -0.599 119.435 119.914 0.198 0.000 3.007 81 V HA 0.571 4.704 4.120 0.022 0.000 0.311 81 V C -0.429 175.771 176.094 0.175 0.000 1.120 81 V CA -1.476 60.923 62.300 0.164 0.000 0.980 81 V CB 1.888 33.802 31.823 0.152 0.000 1.033 81 V HN 0.705 nan 8.190 nan 0.000 0.429 82 E N 1.786 122.063 120.200 0.129 0.000 2.436 82 E HA 0.201 4.564 4.350 0.022 0.000 0.262 82 E C 1.328 178.079 176.600 0.251 0.000 1.063 82 E CA 0.472 56.956 56.400 0.140 0.000 0.944 82 E CB 1.005 30.740 29.700 0.058 0.000 0.950 82 E HN 1.039 nan 8.360 nan 0.000 0.444 83 G N 2.551 111.575 108.800 0.374 0.000 2.470 83 G HA2 -0.246 3.727 3.960 0.022 0.000 0.220 83 G HA3 -0.246 3.727 3.960 0.022 0.000 0.220 83 G C 0.667 175.702 174.900 0.226 0.000 1.121 83 G CA 0.675 45.986 45.100 0.351 0.000 0.766 83 G HN 0.492 nan 8.290 nan 0.000 0.553 84 D N 0.829 121.359 120.400 0.216 0.000 2.264 84 D HA -0.021 4.632 4.640 0.022 0.000 0.208 84 D C 1.349 177.785 176.300 0.225 0.000 0.966 84 D CA 0.800 54.950 54.000 0.249 0.000 0.864 84 D CB 0.014 40.969 40.800 0.258 0.000 0.933 84 D HN 0.154 nan 8.370 nan 0.000 0.499 85 D N -0.358 120.148 120.400 0.176 0.000 2.363 85 D HA 0.033 4.686 4.640 0.022 0.000 0.226 85 D C 1.387 177.772 176.300 0.142 0.000 1.020 85 D CA 0.328 54.419 54.000 0.151 0.000 0.892 85 D CB 0.155 41.032 40.800 0.128 0.000 0.900 85 D HN 0.286 nan 8.370 nan 0.000 0.531 86 L N -0.464 120.849 121.223 0.150 0.000 2.640 86 L HA 0.087 4.440 4.340 0.022 0.000 0.230 86 L C 0.924 177.858 176.870 0.107 0.000 1.123 86 L CA -0.223 54.688 54.840 0.117 0.000 0.900 86 L CB 0.111 42.242 42.059 0.119 0.000 1.146 86 L HN 0.084 nan 8.230 nan 0.000 0.484 87 H N 0.949 120.051 119.070 0.053 0.000 2.848 87 H HA -0.075 4.495 4.556 0.022 0.000 0.341 87 H C 0.955 176.268 175.328 -0.025 0.000 1.060 87 H CA 0.003 56.066 56.048 0.024 0.000 1.444 87 H CB 1.080 30.831 29.762 -0.019 0.000 1.446 87 H HN 0.229 nan 8.280 nan 0.000 0.583 88 F N 3.903 123.843 119.950 -0.016 0.000 2.269 88 F HA -0.132 4.408 4.527 0.022 0.000 0.301 88 F C 1.660 177.563 175.800 0.173 0.000 1.082 88 F CA 0.744 58.769 58.000 0.041 0.000 1.360 88 F CB -0.994 37.988 39.000 -0.030 0.000 1.041 88 F HN 0.244 nan 8.300 nan 0.000 0.512 89 V N 1.542 121.094 119.914 -0.604 0.000 2.490 89 V HA -0.275 3.858 4.120 0.022 0.000 0.250 89 V C 1.494 177.474 176.094 -0.190 0.000 1.061 89 V CA 2.125 64.109 62.300 -0.526 0.000 1.064 89 V CB -0.851 30.579 31.823 -0.656 0.000 0.670 89 V HN 0.442 nan 8.190 nan 0.000 0.461 90 N N 0.346 118.996 118.700 -0.084 0.000 2.270 90 N HA 0.059 4.812 4.740 0.022 0.000 0.198 90 N C 0.226 175.763 175.510 0.044 0.000 1.117 90 N CA 0.174 53.216 53.050 -0.013 0.000 0.845 90 N CB -0.012 38.500 38.487 0.041 0.000 0.980 90 N HN 0.390 nan 8.380 nan 0.000 0.486 91 N N 0.448 119.177 118.700 0.048 0.000 2.540 91 N HA 0.269 5.022 4.740 0.022 0.000 0.275 91 N C 0.064 175.599 175.510 0.041 0.000 1.053 91 N CA -0.204 52.877 53.050 0.052 0.000 0.876 91 N CB 1.565 40.072 38.487 0.032 0.000 1.284 91 N HN -0.061 nan 8.380 nan 0.000 0.518 92 A N 2.927 125.785 122.820 0.063 0.000 2.066 92 A HA 0.101 4.434 4.320 0.022 0.000 0.218 92 A C 1.960 179.466 177.584 -0.128 0.000 1.157 92 A CA 1.483 53.571 52.037 0.084 0.000 0.670 92 A CB -0.227 18.911 19.000 0.231 0.000 0.804 92 A HN 0.681 nan 8.150 nan 0.000 0.453 93 A N -0.190 122.373 122.820 -0.428 0.000 1.902 93 A HA -0.107 4.226 4.320 0.022 0.000 0.217 93 A C 2.208 179.644 177.584 -0.246 0.000 1.181 93 A CA 1.733 53.181 52.037 -0.982 0.000 0.623 93 A CB -0.498 18.131 19.000 -0.619 0.000 0.818 93 A HN 0.521 nan 8.150 nan 0.000 0.443 94 M N -1.108 118.426 119.600 -0.110 0.000 2.132 94 M HA -0.205 4.288 4.480 0.022 0.000 0.263 94 M C 2.458 178.762 176.300 0.006 0.000 1.065 94 M CA 1.653 56.887 55.300 -0.109 0.000 1.122 94 M CB -0.415 32.082 32.600 -0.172 0.000 1.365 94 M HN 0.475 nan 8.290 nan 0.000 0.411 95 Q N -0.210 119.645 119.800 0.090 0.000 2.084 95 Q HA -0.256 4.098 4.340 0.022 0.000 0.202 95 Q C 2.101 178.190 176.000 0.148 0.000 0.978 95 Q CA 1.520 57.440 55.803 0.194 0.000 0.844 95 Q CB -0.165 28.699 28.738 0.209 0.000 0.898 95 Q HN 0.382 nan 8.270 nan 0.000 0.426 96 Q N 0.563 120.417 119.800 0.090 0.000 2.119 96 Q HA -0.114 4.239 4.340 0.022 0.000 0.201 96 Q C 1.862 177.911 176.000 0.080 0.000 0.972 96 Q CA 1.286 57.186 55.803 0.162 0.000 0.847 96 Q CB -0.133 28.827 28.738 0.369 0.000 0.903 96 Q HN 0.355 nan 8.270 nan 0.000 0.433 97 M N -1.036 118.454 119.600 -0.183 0.000 2.082 97 M HA -0.236 4.258 4.480 0.022 0.000 0.258 97 M C 1.904 178.204 176.300 -0.001 0.000 1.069 97 M CA 2.110 57.060 55.300 -0.582 0.000 1.102 97 M CB -0.543 31.397 32.600 -1.101 0.000 1.336 97 M HN 0.594 nan 8.290 nan 0.000 0.404 98 W N 1.242 122.480 121.300 -0.103 0.000 2.355 98 W HA -0.240 4.433 4.660 0.022 0.000 0.309 98 W C 1.430 177.988 176.519 0.064 0.000 1.206 98 W CA 1.386 58.723 57.345 -0.014 0.000 1.284 98 W CB -0.363 29.095 29.460 -0.004 0.000 1.145 98 W HN 0.289 nan 8.180 nan 0.000 0.502 99 D N 0.790 121.071 120.400 -0.199 0.000 2.149 99 D HA -0.199 4.454 4.640 0.022 0.000 0.198 99 D C 1.487 177.667 176.300 -0.200 0.000 0.990 99 D CA 1.737 55.558 54.000 -0.299 0.000 0.839 99 D CB -0.717 40.040 40.800 -0.071 0.000 0.948 99 D HN 0.147 nan 8.370 nan 0.000 0.460 100 D N -0.090 120.326 120.400 0.027 0.000 2.178 100 D HA -0.045 4.609 4.640 0.022 0.000 0.202 100 D C 2.206 178.604 176.300 0.163 0.000 0.974 100 D CA 0.305 54.412 54.000 0.179 0.000 0.841 100 D CB -0.074 41.027 40.800 0.500 0.000 0.953 100 D HN 0.285 nan 8.370 nan 0.000 0.478 101 I N 0.023 120.635 120.570 0.070 0.000 2.277 101 I HA -0.148 4.035 4.170 0.022 0.000 0.243 101 I C 2.519 178.518 176.117 -0.197 0.000 1.094 101 I CA 0.564 61.885 61.300 0.034 0.000 1.393 101 I CB -0.116 37.905 38.000 0.035 0.000 1.078 101 I HN -0.116 nan 8.210 nan 0.000 0.417 102 R N 1.854 121.932 120.500 -0.704 0.000 2.105 102 R HA -0.176 4.177 4.340 0.022 0.000 0.239 102 R C 2.201 178.321 176.300 -0.299 0.000 1.135 102 R CA 1.537 57.207 56.100 -0.717 0.000 0.967 102 R CB -0.150 29.419 30.300 -1.219 0.000 0.861 102 R HN 0.377 nan 8.270 nan 0.000 0.442 103 R N -0.318 120.026 120.500 -0.259 0.000 2.356 103 R HA 0.115 4.468 4.340 0.022 0.000 0.234 103 R C -0.616 175.596 176.300 -0.147 0.000 0.929 103 R CA 0.228 56.214 56.100 -0.190 0.000 1.084 103 R CB 0.322 30.496 30.300 -0.210 0.000 1.105 103 R HN -0.078 nan 8.270 nan 0.000 0.515 104 T N 1.693 116.190 114.554 -0.094 0.000 2.824 104 T HA 0.462 4.825 4.350 0.022 0.000 0.280 104 T C -0.322 174.358 174.700 -0.033 0.000 0.995 104 T CA -0.528 61.513 62.100 -0.098 0.000 1.009 104 T CB 1.856 70.655 68.868 -0.114 0.000 0.955 104 T HN 0.201 nan 8.240 nan 0.000 0.452 105 V N 0.777 120.660 119.914 -0.053 0.000 3.160 105 V HA 0.740 4.873 4.120 0.022 0.000 0.310 105 V C -0.964 175.105 176.094 -0.042 0.000 1.181 105 V CA -1.300 60.981 62.300 -0.031 0.000 1.047 105 V CB 1.818 33.609 31.823 -0.053 0.000 1.068 105 V HN 0.811 nan 8.190 nan 0.000 0.441 106 I N 1.321 121.874 120.570 -0.028 0.000 2.404 106 I HA 0.698 4.881 4.170 0.022 0.000 0.293 106 I C -1.022 175.142 176.117 0.078 0.000 0.992 106 I CA -0.896 60.419 61.300 0.026 0.000 1.149 106 I CB 2.006 40.002 38.000 -0.007 0.000 1.315 106 I HN 0.434 nan 8.210 nan 0.000 0.446 107 V N 4.869 124.855 119.914 0.120 0.000 2.524 107 V HA 0.445 4.578 4.120 0.022 0.000 0.297 107 V C 0.558 176.636 176.094 -0.028 0.000 1.035 107 V CA -0.743 61.592 62.300 0.059 0.000 0.867 107 V CB 1.559 33.378 31.823 -0.007 0.000 1.004 107 V HN 0.908 nan 8.190 nan 0.000 0.426 108 G N 2.979 111.650 108.800 -0.215 0.000 2.554 108 G HA2 0.369 4.342 3.960 0.022 0.000 0.238 108 G HA3 0.369 4.342 3.960 0.022 0.000 0.238 108 G C 0.350 174.845 174.900 -0.675 0.000 1.259 108 G CA -0.218 44.309 45.100 -0.955 0.000 0.843 108 G HN 0.737 nan 8.290 nan 0.000 0.582 109 L N 1.385 122.120 121.223 -0.814 0.000 2.769 109 L HA 0.144 4.497 4.340 0.022 0.000 0.240 109 L C 1.638 178.007 176.870 -0.834 0.000 1.163 109 L CA -0.273 54.079 54.840 -0.813 0.000 0.962 109 L CB 0.034 41.518 42.059 -0.959 0.000 1.258 109 L HN 0.492 nan 8.230 nan 0.000 0.513 110 N N -0.564 117.683 118.700 -0.755 0.000 2.207 110 N HA -0.106 4.647 4.740 0.022 0.000 0.182 110 N C 1.570 176.871 175.510 -0.348 0.000 1.020 110 N CA 1.092 53.820 53.050 -0.538 0.000 0.858 110 N CB -0.052 38.079 38.487 -0.594 0.000 0.991 110 N HN 0.357 nan 8.380 nan 0.000 0.427 111 H N 1.401 120.285 119.070 -0.309 0.000 2.357 111 H HA 0.136 4.705 4.556 0.022 0.000 0.301 111 H C 2.071 177.244 175.328 -0.259 0.000 1.082 111 H CA 1.049 56.956 56.048 -0.235 0.000 1.342 111 H CB -0.468 29.175 29.762 -0.199 0.000 1.389 111 H HN 0.213 nan 8.280 nan 0.000 0.511 112 A N 0.804 123.523 122.820 -0.169 0.000 1.883 112 A HA -0.210 4.123 4.320 0.022 0.000 0.217 112 A C 2.043 179.602 177.584 -0.043 0.000 1.186 112 A CA 1.704 53.672 52.037 -0.115 0.000 0.624 112 A CB -0.983 17.998 19.000 -0.031 0.000 0.822 112 A HN 0.589 nan 8.150 nan 0.000 0.444 113 H N -1.019 117.943 119.070 -0.179 0.000 2.423 113 H HA 0.035 4.604 4.556 0.022 0.000 0.297 113 H C 2.451 177.683 175.328 -0.159 0.000 1.075 113 H CA 0.481 56.411 56.048 -0.197 0.000 1.342 113 H CB 0.055 29.700 29.762 -0.194 0.000 1.395 113 H HN 0.584 nan 8.280 nan 0.000 0.530 114 A N 0.668 123.475 122.820 -0.021 0.000 1.930 114 A HA -0.109 4.224 4.320 0.022 0.000 0.217 114 A C 2.575 180.098 177.584 -0.101 0.000 1.175 114 A CA 1.125 53.130 52.037 -0.053 0.000 0.627 114 A CB -0.684 18.294 19.000 -0.036 0.000 0.815 114 A HN 0.190 nan 8.150 nan 0.000 0.443 115 V N 0.384 120.187 119.914 -0.185 0.000 2.332 115 V HA -0.298 3.835 4.120 0.022 0.000 0.248 115 V C 2.421 178.436 176.094 -0.132 0.000 1.055 115 V CA 2.119 64.256 62.300 -0.273 0.000 1.038 115 V CB -0.711 30.686 31.823 -0.709 0.000 0.651 115 V HN 0.580 nan 8.190 nan 0.000 0.450 116 I N -0.286 120.250 120.570 -0.058 0.000 2.179 116 I HA -0.255 3.929 4.170 0.022 0.000 0.242 116 I C 2.574 178.660 176.117 -0.052 0.000 1.088 116 I CA 1.793 63.070 61.300 -0.038 0.000 1.357 116 I CB -0.394 37.482 38.000 -0.206 0.000 1.051 116 I HN 0.389 nan 8.210 nan 0.000 0.409 117 E N 0.461 120.621 120.200 -0.065 0.000 2.107 117 E HA -0.186 4.178 4.350 0.022 0.000 0.191 117 E C 2.050 178.627 176.600 -0.039 0.000 0.982 117 E CA 1.029 57.400 56.400 -0.048 0.000 0.809 117 E CB 0.152 29.823 29.700 -0.049 0.000 0.756 117 E HN 0.364 nan 8.360 nan 0.000 0.459 118 K N 0.206 120.577 120.400 -0.049 0.000 2.161 118 K HA 0.123 4.456 4.320 0.022 0.000 0.205 118 K C 2.028 178.603 176.600 -0.042 0.000 1.035 118 K CA 0.506 56.766 56.287 -0.046 0.000 0.970 118 K CB 0.021 32.487 32.500 -0.057 0.000 0.866 118 K HN -0.141 nan 8.250 nan 0.000 0.461 119 R N 0.278 120.745 120.500 -0.055 0.000 2.090 119 R HA 0.103 4.456 4.340 0.022 0.000 0.228 119 R C 1.938 178.231 176.300 -0.013 0.000 1.110 119 R CA 1.045 57.119 56.100 -0.042 0.000 0.973 119 R CB -0.112 30.149 30.300 -0.065 0.000 0.869 119 R HN 0.102 nan 8.270 nan 0.000 0.440 120 L N -1.200 120.024 121.223 0.001 0.000 2.416 120 L HA 0.226 4.580 4.340 0.022 0.000 0.216 120 L C 1.049 177.929 176.870 0.018 0.000 1.098 120 L CA 0.351 55.208 54.840 0.027 0.000 0.840 120 L CB 0.166 42.264 42.059 0.064 0.000 0.981 120 L HN 0.370 nan 8.230 nan 0.000 0.462 121 G N 1.539 110.340 108.800 0.003 0.000 2.246 121 G HA2 -0.268 3.705 3.960 0.022 0.000 0.273 121 G HA3 -0.268 3.705 3.960 0.022 0.000 0.273 121 G C -0.012 174.894 174.900 0.010 0.000 1.055 121 G CA 0.228 45.329 45.100 0.001 0.000 0.851 121 G HN 0.377 nan 8.290 nan 0.000 0.500 122 K N -0.579 119.829 120.400 0.013 0.000 2.267 122 K HA 0.576 4.909 4.320 0.022 0.000 0.246 122 K C -0.032 176.577 176.600 0.015 0.000 0.954 122 K CA -0.953 55.354 56.287 0.033 0.000 0.824 122 K CB 2.114 34.662 32.500 0.081 0.000 1.167 122 K HN 0.227 nan 8.250 nan 0.000 0.431 123 E N 0.927 121.147 120.200 0.033 0.000 2.319 123 E HA 0.244 4.608 4.350 0.022 0.000 0.268 123 E C -1.270 175.346 176.600 0.027 0.000 1.050 123 E CA -0.609 55.798 56.400 0.012 0.000 0.878 123 E CB 1.168 30.877 29.700 0.014 0.000 1.066 123 E HN 0.190 nan 8.360 nan 0.000 0.406 124 V N 3.511 123.394 119.914 -0.051 0.000 2.487 124 V HA 0.498 4.631 4.120 0.022 0.000 0.298 124 V C -0.090 175.948 176.094 -0.093 0.000 1.028 124 V CA -0.420 61.812 62.300 -0.112 0.000 0.860 124 V CB 1.411 32.992 31.823 -0.404 0.000 0.991 124 V HN 0.933 nan 8.190 nan 0.000 0.427 125 T N 2.102 116.630 114.554 -0.044 0.000 2.812 125 T HA 0.519 4.882 4.350 0.022 0.000 0.294 125 T C -2.508 172.189 174.700 -0.005 0.000 1.159 125 T CA -1.955 60.131 62.100 -0.024 0.000 1.008 125 T CB 2.277 71.144 68.868 -0.001 0.000 1.289 125 T HN 0.242 nan 8.240 nan 0.000 0.514 126 P HA -0.049 nan 4.420 nan 0.000 0.218 126 P C 0.954 178.287 177.300 0.054 0.000 1.148 126 P CA 1.198 64.323 63.100 0.041 0.000 0.822 126 P CB 0.055 31.781 31.700 0.043 0.000 0.784 127 E N -1.263 118.960 120.200 0.038 0.000 2.107 127 E HA -0.123 4.240 4.350 0.022 0.000 0.191 127 E C 2.024 178.650 176.600 0.042 0.000 0.982 127 E CA 1.767 58.190 56.400 0.038 0.000 0.809 127 E CB -1.313 28.396 29.700 0.014 0.000 0.756 127 E HN 0.361 nan 8.360 nan 0.000 0.459 128 T N -0.641 113.932 114.554 0.031 0.000 2.867 128 T HA -0.076 4.287 4.350 0.022 0.000 0.268 128 T C 1.999 176.747 174.700 0.081 0.000 1.057 128 T CA 0.774 62.878 62.100 0.008 0.000 1.136 128 T CB -0.364 68.537 68.868 0.055 0.000 0.874 128 T HN 0.053 nan 8.240 nan 0.000 0.466 129 I N 1.429 122.070 120.570 0.118 0.000 2.202 129 I HA -0.145 4.039 4.170 0.022 0.000 0.242 129 I C 2.961 179.163 176.117 0.142 0.000 1.091 129 I CA 1.446 62.854 61.300 0.180 0.000 1.368 129 I CB -0.768 37.314 38.000 0.137 0.000 1.058 129 I HN 0.267 nan 8.210 nan 0.000 0.410 130 T N -1.024 113.590 114.554 0.100 0.000 2.746 130 T HA -0.250 4.113 4.350 0.022 0.000 0.267 130 T C 1.867 176.585 174.700 0.029 0.000 1.039 130 T CA 1.697 63.845 62.100 0.079 0.000 1.142 130 T CB -0.374 68.584 68.868 0.150 0.000 0.866 130 T HN 0.405 nan 8.240 nan 0.000 0.444 131 H N 0.062 119.104 119.070 -0.047 0.000 2.319 131 H HA -0.128 4.441 4.556 0.022 0.000 0.299 131 H C 2.006 177.253 175.328 -0.136 0.000 1.092 131 H CA 1.943 57.935 56.048 -0.093 0.000 1.302 131 H CB -0.646 29.041 29.762 -0.127 0.000 1.373 131 H HN 0.464 nan 8.280 nan 0.000 0.497 132 Y N 0.536 120.658 120.300 -0.297 0.000 2.165 132 Y HA -0.218 4.346 4.550 0.022 0.000 0.286 132 Y C 2.196 177.917 175.900 -0.298 0.000 1.155 132 Y CA 1.962 59.892 58.100 -0.284 0.000 1.164 132 Y CB -0.531 37.897 38.460 -0.053 0.000 0.978 132 Y HN 0.256 nan 8.280 nan 0.000 0.513 133 L N -0.060 120.860 121.223 -0.505 0.000 2.093 133 L HA -0.160 4.194 4.340 0.022 0.000 0.208 133 L C 2.517 178.842 176.870 -0.909 0.000 1.085 133 L CA 1.227 55.552 54.840 -0.859 0.000 0.755 133 L CB -0.536 40.849 42.059 -1.124 0.000 0.904 133 L HN 0.231 nan 8.230 nan 0.000 0.435 134 E N -0.170 119.684 120.200 -0.578 0.000 2.051 134 E HA -0.182 4.182 4.350 0.022 0.000 0.192 134 E C 2.159 178.621 176.600 -0.230 0.000 0.991 134 E CA 1.887 58.172 56.400 -0.192 0.000 0.799 134 E CB -0.303 29.377 29.700 -0.033 0.000 0.748 134 E HN 0.467 nan 8.360 nan 0.000 0.449 135 T N 1.311 115.633 114.554 -0.388 0.000 2.652 135 T HA -0.130 4.234 4.350 0.022 0.000 0.267 135 T C 2.025 176.565 174.700 -0.267 0.000 1.039 135 T CA 1.247 63.146 62.100 -0.335 0.000 1.153 135 T CB -0.385 68.215 68.868 -0.447 0.000 0.863 135 T HN 0.006 nan 8.240 nan 0.000 0.428 136 V N 2.164 121.791 119.914 -0.478 0.000 2.667 136 V HA -0.077 4.056 4.120 0.022 0.000 0.252 136 V C 2.035 178.028 176.094 -0.169 0.000 1.065 136 V CA 1.391 63.467 62.300 -0.374 0.000 1.083 136 V CB -0.523 30.924 31.823 -0.628 0.000 0.692 136 V HN 0.468 nan 8.190 nan 0.000 0.468 137 N N -0.712 117.916 118.700 -0.120 0.000 2.409 137 N HA -0.135 4.619 4.740 0.022 0.000 0.179 137 N C 1.638 177.203 175.510 0.092 0.000 1.032 137 N CA 1.256 54.332 53.050 0.044 0.000 0.898 137 N CB -0.079 38.513 38.487 0.175 0.000 0.971 137 N HN 0.731 nan 8.380 nan 0.000 0.441 138 H N 0.884 119.936 119.070 -0.030 0.000 2.343 138 H HA 0.143 4.713 4.556 0.022 0.000 0.303 138 H C 1.915 177.236 175.328 -0.012 0.000 1.068 138 H CA 1.815 57.854 56.048 -0.015 0.000 1.359 138 H CB 0.026 29.763 29.762 -0.041 0.000 1.402 138 H HN 0.130 nan 8.280 nan 0.000 0.515 139 A N 0.294 123.083 122.820 -0.052 0.000 1.930 139 A HA -0.053 4.280 4.320 0.022 0.000 0.215 139 A C 2.356 179.901 177.584 -0.065 0.000 1.176 139 A CA 1.419 53.391 52.037 -0.107 0.000 0.632 139 A CB -0.628 18.339 19.000 -0.055 0.000 0.819 139 A HN 0.522 nan 8.150 nan 0.000 0.445 140 M N 0.396 119.999 119.600 0.005 0.000 2.108 140 M HA -0.042 4.452 4.480 0.022 0.000 0.261 140 M C -1.276 175.192 176.300 0.280 0.000 1.066 140 M CA 1.635 57.014 55.300 0.133 0.000 1.107 140 M CB -1.039 31.627 32.600 0.110 0.000 1.356 140 M HN 0.147 nan 8.290 nan 0.000 0.406 141 P HA 0.183 nan 4.420 nan 0.000 0.234 141 P C 0.037 177.511 177.300 0.289 0.000 1.167 141 P CA 1.416 64.641 63.100 0.208 0.000 0.763 141 P CB 0.029 31.789 31.700 0.100 0.000 0.835 142 G N -1.655 107.242 108.800 0.160 0.000 2.610 142 G HA2 0.183 4.157 3.960 0.022 0.000 0.136 142 G HA3 0.183 4.157 3.960 0.022 0.000 0.136 142 G C -0.189 174.672 174.900 -0.064 0.000 1.070 142 G CA -0.362 44.777 45.100 0.064 0.000 0.812 142 G HN 0.499 nan 8.290 nan 0.000 0.495 143 A N -0.608 122.099 122.820 -0.188 0.000 2.423 143 A HA 1.092 5.425 4.320 0.022 0.000 0.304 143 A C 0.363 177.843 177.584 -0.174 0.000 1.104 143 A CA 0.205 52.069 52.037 -0.288 0.000 0.757 143 A CB 1.621 20.216 19.000 -0.674 0.000 1.313 143 A HN 2.113 nan 8.150 nan 0.000 0.423 144 A N -0.120 122.705 122.820 0.007 0.000 2.295 144 A HA 0.617 4.950 4.320 0.022 0.000 0.318 144 A C 0.724 178.407 177.584 0.165 0.000 1.134 144 A CA 0.213 52.289 52.037 0.065 0.000 0.827 144 A CB 0.661 19.684 19.000 0.038 0.000 1.136 144 A HN 1.975 nan 8.150 nan 0.000 0.493 145 V N -0.699 119.258 119.914 0.073 0.000 3.497 145 V HA 0.199 4.332 4.120 0.022 0.000 0.272 145 V C 0.797 176.892 176.094 0.002 0.000 1.474 145 V CA 0.823 63.144 62.300 0.035 0.000 1.025 145 V CB -0.363 31.471 31.823 0.018 0.000 0.820 145 V HN 0.484 nan 8.190 nan 0.000 0.437 146 V N -0.469 119.447 119.914 0.002 0.000 3.029 146 V HA 0.252 4.385 4.120 0.022 0.000 0.230 146 V C 0.970 177.067 176.094 0.004 0.000 1.254 146 V CA 0.526 62.825 62.300 -0.002 0.000 1.276 146 V CB 0.418 32.238 31.823 -0.005 0.000 1.080 146 V HN 0.448 nan 8.190 nan 0.000 0.495 147 Q N 0.875 120.680 119.800 0.007 0.000 2.306 147 Q HA 0.306 4.660 4.340 0.022 0.000 0.241 147 Q C -0.329 175.685 176.000 0.024 0.000 0.948 147 Q CA -0.204 55.608 55.803 0.015 0.000 0.886 147 Q CB 1.451 30.199 28.738 0.017 0.000 1.227 147 Q HN 0.351 nan 8.270 nan 0.000 0.457 148 E N 1.191 121.413 120.200 0.036 0.000 2.373 148 E HA -0.056 4.307 4.350 0.022 0.000 0.263 148 E C -0.546 176.121 176.600 0.111 0.000 1.073 148 E CA 0.124 56.556 56.400 0.054 0.000 0.894 148 E CB 0.372 30.107 29.700 0.058 0.000 1.008 148 E HN 0.630 nan 8.360 nan 0.000 0.420 149 H N 2.530 121.600 119.070 0.000 0.000 2.839 149 H HA -0.141 4.428 4.556 0.022 0.000 0.298 149 H C -0.839 174.489 175.328 -0.001 0.000 1.224 149 H CA 0.701 56.749 56.048 0.000 0.000 1.144 149 H CB -0.735 29.027 29.762 -0.000 0.000 1.372 149 H HN 0.371 nan 8.280 nan 0.000 0.408 150 M N 0.875 120.485 119.600 0.017 0.000 2.274 150 M HA 0.306 4.799 4.480 0.022 0.000 0.344 150 M C 0.915 177.200 176.300 -0.026 0.000 1.161 150 M CA -0.491 54.818 55.300 0.015 0.000 1.126 150 M CB 1.431 34.035 32.600 0.005 0.000 1.522 150 M HN 0.149 nan 8.290 nan 0.000 0.461 151 V N 0.506 120.421 119.914 0.001 0.000 2.513 151 V HA 0.713 4.846 4.120 0.022 0.000 0.299 151 V C -0.456 175.637 176.094 -0.003 0.000 1.035 151 V CA -0.604 61.692 62.300 -0.006 0.000 0.889 151 V CB 1.813 33.648 31.823 0.020 0.000 0.988 151 V HN 0.909 nan 8.190 nan 0.000 0.440 152 E N 1.774 121.971 120.200 -0.006 0.000 2.378 152 E HA 0.562 4.925 4.350 0.022 0.000 0.265 152 E C -0.535 176.079 176.600 0.024 0.000 0.932 152 E CA -0.846 55.550 56.400 -0.007 0.000 0.795 152 E CB 2.153 31.835 29.700 -0.030 0.000 1.296 152 E HN 0.964 nan 8.360 nan 0.000 0.438 153 T N -1.249 113.334 114.554 0.047 0.000 2.918 153 T HA 0.033 4.397 4.350 0.022 0.000 0.302 153 T C 0.167 174.923 174.700 0.094 0.000 1.045 153 T CA -0.614 61.545 62.100 0.098 0.000 1.114 153 T CB 0.642 69.600 68.868 0.149 0.000 0.965 153 T HN 0.390 nan 8.240 nan 0.000 0.540 154 H N 3.628 122.720 119.070 0.036 0.000 2.899 154 H HA 0.192 4.761 4.556 0.022 0.000 0.303 154 H C -1.901 173.444 175.328 0.028 0.000 1.042 154 H CA -2.122 53.943 56.048 0.027 0.000 1.479 154 H CB 1.135 30.913 29.762 0.027 0.000 1.493 154 H HN 0.402 nan 8.280 nan 0.000 0.534 155 P HA -0.147 nan 4.420 nan 0.000 0.217 155 P C 1.006 178.444 177.300 0.230 0.000 1.148 155 P CA 2.045 65.250 63.100 0.176 0.000 0.828 155 P CB 0.155 31.908 31.700 0.088 0.000 0.783 156 A N -1.153 121.897 122.820 0.384 0.000 2.067 156 A HA -0.052 4.281 4.320 0.022 0.000 0.217 156 A C 2.060 179.655 177.584 0.018 0.000 1.156 156 A CA 0.861 52.974 52.037 0.127 0.000 0.683 156 A CB -1.368 17.663 19.000 0.052 0.000 0.808 156 A HN 0.138 nan 8.150 nan 0.000 0.455 157 L N -0.322 120.904 121.223 0.006 0.000 2.291 157 L HA -0.050 4.303 4.340 0.022 0.000 0.214 157 L C 1.336 178.220 176.870 0.023 0.000 1.120 157 L CA 1.000 55.831 54.840 -0.016 0.000 0.799 157 L CB 0.071 42.128 42.059 -0.004 0.000 0.925 157 L HN 0.414 nan 8.230 nan 0.000 0.446 158 V N -5.293 114.656 119.914 0.058 0.000 2.909 158 V HA 0.441 4.574 4.120 0.022 0.000 0.362 158 V C 1.392 177.525 176.094 0.065 0.000 1.356 158 V CA 0.210 62.537 62.300 0.046 0.000 1.195 158 V CB 0.056 31.919 31.823 0.067 0.000 1.256 158 V HN 0.097 nan 8.190 nan 0.000 0.567 159 A N 1.429 124.290 122.820 0.068 0.000 2.168 159 A HA -0.055 4.278 4.320 0.022 0.000 0.215 159 A C 1.782 179.433 177.584 0.112 0.000 1.152 159 A CA 1.429 53.516 52.037 0.083 0.000 0.716 159 A CB -0.316 18.721 19.000 0.063 0.000 0.794 159 A HN 0.787 nan 8.150 nan 0.000 0.465 160 D N -0.874 119.587 120.400 0.102 0.000 2.339 160 D HA 0.039 4.692 4.640 0.022 0.000 0.217 160 D C 0.625 177.011 176.300 0.142 0.000 1.050 160 D CA 0.483 54.572 54.000 0.148 0.000 0.856 160 D CB -0.230 40.625 40.800 0.092 0.000 0.922 160 D HN 0.205 nan 8.370 nan 0.000 0.518 161 S N -0.146 115.606 115.700 0.086 0.000 2.525 161 S HA 0.528 5.011 4.470 0.022 0.000 0.278 161 S C -0.955 173.719 174.600 0.122 0.000 1.234 161 S CA -0.648 57.542 58.200 -0.018 0.000 1.058 161 S CB 0.220 63.403 63.200 -0.028 0.000 0.983 161 S HN 0.356 nan 8.310 nan 0.000 0.495 162 Y N 0.549 120.869 120.300 0.034 0.000 2.818 162 Y HA 0.675 5.238 4.550 0.022 0.000 0.341 162 Y C -1.889 174.041 175.900 0.050 0.000 1.283 162 Y CA -1.375 56.758 58.100 0.056 0.000 1.075 162 Y CB 0.537 39.041 38.460 0.073 0.000 1.370 162 Y HN 0.282 nan 8.280 nan 0.000 0.448 163 V N 1.808 121.894 119.914 0.287 0.000 2.531 163 V HA 0.540 4.673 4.120 0.022 0.000 0.301 163 V C -0.536 175.753 176.094 0.325 0.000 1.034 163 V CA -1.022 61.389 62.300 0.186 0.000 0.865 163 V CB 1.459 33.318 31.823 0.059 0.000 0.995 163 V HN 0.751 nan 8.190 nan 0.000 0.424 164 K N 2.406 122.994 120.400 0.314 0.000 2.280 164 K HA 0.907 5.241 4.320 0.022 0.000 0.234 164 K C -0.910 175.816 176.600 0.211 0.000 1.028 164 K CA -0.825 55.645 56.287 0.305 0.000 0.882 164 K CB 2.520 35.218 32.500 0.331 0.000 1.194 164 K HN 0.589 nan 8.250 nan 0.000 0.458 165 V N -1.478 118.563 119.914 0.212 0.000 3.040 165 V HA 0.789 4.922 4.120 0.022 0.000 0.312 165 V C -1.065 175.169 176.094 0.233 0.000 1.115 165 V CA -0.955 61.421 62.300 0.126 0.000 0.998 165 V CB 1.232 33.101 31.823 0.077 0.000 1.042 165 V HN 0.782 nan 8.190 nan 0.000 0.433 166 F N -0.841 119.196 119.950 0.145 0.000 2.643 166 F HA 0.960 5.500 4.527 0.022 0.000 0.314 166 F C -0.494 175.395 175.800 0.148 0.000 1.096 166 F CA -0.506 57.572 58.000 0.130 0.000 0.953 166 F CB 1.675 40.736 39.000 0.102 0.000 1.345 166 F HN 0.893 nan 8.300 nan 0.000 0.468 167 T N -0.503 114.270 114.554 0.365 0.000 2.942 167 T HA 0.471 4.834 4.350 0.022 0.000 0.327 167 T C 0.394 175.227 174.700 0.221 0.000 1.360 167 T CA -0.063 62.185 62.100 0.247 0.000 1.055 167 T CB 1.358 70.298 68.868 0.120 0.000 1.261 167 T HN 1.232 nan 8.240 nan 0.000 0.485 168 G N 2.292 111.199 108.800 0.178 0.000 2.744 168 G HA2 0.059 4.032 3.960 0.022 0.000 0.211 168 G HA3 0.059 4.032 3.960 0.022 0.000 0.211 168 G C 0.610 175.560 174.900 0.083 0.000 1.143 168 G CA -0.112 45.052 45.100 0.108 0.000 0.788 168 G HN 0.666 nan 8.290 nan 0.000 0.534 169 N N 1.151 119.901 118.700 0.083 0.000 2.437 169 N HA 0.074 4.827 4.740 0.022 0.000 0.243 169 N C 0.122 175.672 175.510 0.067 0.000 1.041 169 N CA -0.368 52.719 53.050 0.063 0.000 0.940 169 N CB 0.950 39.469 38.487 0.052 0.000 1.133 169 N HN -0.074 nan 8.380 nan 0.000 0.506 170 D N 2.446 122.882 120.400 0.059 0.000 2.182 170 D HA -0.204 4.450 4.640 0.022 0.000 0.201 170 D C 1.286 177.619 176.300 0.055 0.000 0.986 170 D CA 1.124 55.160 54.000 0.060 0.000 0.847 170 D CB 0.334 41.163 40.800 0.050 0.000 0.942 170 D HN 0.711 nan 8.370 nan 0.000 0.467 171 E N 0.768 120.996 120.200 0.046 0.000 2.058 171 E HA -0.146 4.217 4.350 0.022 0.000 0.194 171 E C 2.092 178.721 176.600 0.047 0.000 0.997 171 E CA 0.976 57.401 56.400 0.041 0.000 0.801 171 E CB -0.254 29.465 29.700 0.032 0.000 0.746 171 E HN 0.277 nan 8.360 nan 0.000 0.450 172 I N 0.254 120.856 120.570 0.053 0.000 2.333 172 I HA -0.144 4.039 4.170 0.022 0.000 0.246 172 I C 2.425 178.589 176.117 0.078 0.000 1.106 172 I CA 0.808 62.145 61.300 0.060 0.000 1.411 172 I CB -0.375 37.659 38.000 0.057 0.000 1.082 172 I HN 0.225 nan 8.210 nan 0.000 0.420 173 A N 0.739 123.612 122.820 0.087 0.000 1.883 173 A HA -0.258 4.075 4.320 0.022 0.000 0.217 173 A C 1.917 179.557 177.584 0.094 0.000 1.186 173 A CA 2.253 54.354 52.037 0.106 0.000 0.624 173 A CB -0.653 18.418 19.000 0.117 0.000 0.822 173 A HN 0.354 nan 8.150 nan 0.000 0.444 174 D N -1.129 119.316 120.400 0.075 0.000 2.269 174 D HA -0.080 4.574 4.640 0.022 0.000 0.208 174 D C 1.772 178.109 176.300 0.060 0.000 0.963 174 D CA 1.307 55.345 54.000 0.063 0.000 0.864 174 D CB -0.158 40.672 40.800 0.051 0.000 0.936 174 D HN 0.786 nan 8.370 nan 0.000 0.505 175 E N -0.136 120.103 120.200 0.064 0.000 2.250 175 E HA 0.023 4.386 4.350 0.022 0.000 0.192 175 E C 0.716 177.364 176.600 0.079 0.000 0.986 175 E CA 0.004 56.441 56.400 0.061 0.000 0.849 175 E CB 0.336 30.069 29.700 0.055 0.000 0.797 175 E HN 0.141 nan 8.360 nan 0.000 0.482 176 I N 1.943 122.576 120.570 0.105 0.000 2.779 176 I HA -0.058 4.126 4.170 0.022 0.000 0.285 176 I C 0.496 176.695 176.117 0.137 0.000 1.134 176 I CA -0.500 60.892 61.300 0.152 0.000 1.398 176 I CB 0.439 38.552 38.000 0.188 0.000 1.404 176 I HN 0.084 nan 8.210 nan 0.000 0.587 177 D N 7.284 127.783 120.400 0.165 0.000 2.520 177 D HA -0.028 4.626 4.640 0.022 0.000 0.243 177 D C -1.596 174.691 176.300 -0.022 0.000 1.160 177 D CA -1.419 52.601 54.000 0.034 0.000 0.877 177 D CB 1.085 41.859 40.800 -0.044 0.000 1.150 177 D HN 0.187 nan 8.370 nan 0.000 0.494 178 P HA -0.080 nan 4.420 nan 0.000 0.228 178 P C 0.918 178.158 177.300 -0.100 0.000 1.151 178 P CA 0.753 63.836 63.100 -0.029 0.000 0.770 178 P CB 0.040 31.723 31.700 -0.028 0.000 0.786 179 A N -0.667 121.994 122.820 -0.264 0.000 1.978 179 A HA -0.153 4.180 4.320 0.022 0.000 0.220 179 A C 1.517 178.903 177.584 -0.331 0.000 1.170 179 A CA 1.373 53.167 52.037 -0.405 0.000 0.636 179 A CB -1.463 17.121 19.000 -0.694 0.000 0.810 179 A HN 0.125 nan 8.150 nan 0.000 0.448 180 F N -1.155 118.809 119.950 0.024 0.000 2.727 180 F HA 0.292 4.832 4.527 0.022 0.000 0.302 180 F C 0.272 176.122 175.800 0.084 0.000 1.097 180 F CA -0.529 57.502 58.000 0.052 0.000 1.330 180 F CB 0.151 39.189 39.000 0.063 0.000 1.084 180 F HN -0.146 nan 8.300 nan 0.000 0.578 181 V N 1.916 121.953 119.914 0.206 0.000 2.495 181 V HA 0.322 4.455 4.120 0.022 0.000 0.298 181 V C 0.109 176.305 176.094 0.169 0.000 1.031 181 V CA -1.031 61.389 62.300 0.200 0.000 0.871 181 V CB 2.364 34.285 31.823 0.163 0.000 0.988 181 V HN -0.064 nan 8.190 nan 0.000 0.432 182 I N 4.119 124.822 120.570 0.222 0.000 2.322 182 I HA 0.213 4.397 4.170 0.022 0.000 0.292 182 I C 0.052 176.282 176.117 0.188 0.000 1.060 182 I CA 0.009 61.422 61.300 0.188 0.000 1.309 182 I CB 0.700 38.826 38.000 0.210 0.000 1.415 182 I HN 0.572 nan 8.210 nan 0.000 0.492 183 D N 7.512 127.997 120.400 0.141 0.000 2.380 183 D HA 0.191 4.845 4.640 0.022 0.000 0.230 183 D C 1.073 177.470 176.300 0.161 0.000 1.154 183 D CA -0.153 53.928 54.000 0.135 0.000 0.859 183 D CB 1.071 41.927 40.800 0.094 0.000 1.045 183 D HN 0.437 nan 8.370 nan 0.000 0.495 184 I N 3.086 123.761 120.570 0.175 0.000 2.286 184 I HA -0.268 3.915 4.170 0.022 0.000 0.248 184 I C 1.938 178.203 176.117 0.246 0.000 1.115 184 I CA 0.570 62.010 61.300 0.233 0.000 1.392 184 I CB -0.111 37.928 38.000 0.065 0.000 1.065 184 I HN 0.370 nan 8.210 nan 0.000 0.418 185 N N 0.828 119.614 118.700 0.143 0.000 2.331 185 N HA -0.162 4.591 4.740 0.022 0.000 0.180 185 N C 1.786 177.356 175.510 0.100 0.000 1.019 185 N CA 0.955 54.071 53.050 0.111 0.000 0.881 185 N CB -0.064 38.469 38.487 0.076 0.000 0.972 185 N HN 0.455 nan 8.380 nan 0.000 0.435 186 K N 0.677 121.131 120.400 0.090 0.000 2.166 186 K HA 0.040 4.373 4.320 0.022 0.000 0.201 186 K C 1.355 177.967 176.600 0.020 0.000 1.052 186 K CA 0.637 56.955 56.287 0.052 0.000 0.969 186 K CB 0.348 32.872 32.500 0.040 0.000 0.761 186 K HN -0.058 nan 8.250 nan 0.000 0.459 187 Q N -0.477 119.325 119.800 0.002 0.000 2.424 187 Q HA 0.104 4.457 4.340 0.022 0.000 0.204 187 Q C -0.373 175.346 176.000 -0.468 0.000 0.933 187 Q CA 0.539 56.206 55.803 -0.226 0.000 0.929 187 Q CB 0.437 28.976 28.738 -0.332 0.000 1.037 187 Q HN 0.129 nan 8.270 nan 0.000 0.511 188 F N 1.579 121.532 119.950 0.005 0.000 2.546 188 F HA 0.411 4.951 4.527 0.022 0.000 0.320 188 F C -1.946 173.829 175.800 -0.043 0.000 1.076 188 F CA -2.678 55.312 58.000 -0.015 0.000 0.928 188 F CB 1.564 40.544 39.000 -0.033 0.000 1.189 188 F HN -0.186 nan 8.300 nan 0.000 0.465 189 P HA 0.030 nan 4.420 nan 0.000 0.272 189 P C 0.346 177.629 177.300 -0.028 0.000 1.230 189 P CA -0.065 62.995 63.100 -0.066 0.000 0.788 189 P CB 1.035 32.501 31.700 -0.390 0.000 0.949 190 E N 0.886 121.072 120.200 -0.025 0.000 2.097 190 E HA -0.267 4.096 4.350 0.022 0.000 0.196 190 E C 1.328 177.918 176.600 -0.017 0.000 1.000 190 E CA 1.823 58.221 56.400 -0.003 0.000 0.804 190 E CB -0.139 29.562 29.700 0.001 0.000 0.740 190 E HN 0.498 nan 8.360 nan 0.000 0.454 191 D N 0.262 120.633 120.400 -0.049 0.000 2.084 191 D HA -0.254 4.399 4.640 0.022 0.000 0.194 191 D C 1.867 178.145 176.300 -0.038 0.000 0.990 191 D CA 1.364 55.338 54.000 -0.044 0.000 0.826 191 D CB -0.739 40.025 40.800 -0.060 0.000 0.971 191 D HN 0.353 nan 8.370 nan 0.000 0.453 192 Q N 0.466 120.236 119.800 -0.050 0.000 2.084 192 Q HA -0.034 4.319 4.340 0.022 0.000 0.202 192 Q C 2.484 178.442 176.000 -0.069 0.000 0.978 192 Q CA 1.568 57.352 55.803 -0.032 0.000 0.844 192 Q CB -0.257 28.504 28.738 0.037 0.000 0.898 192 Q HN 0.448 nan 8.270 nan 0.000 0.426 193 A N 1.343 124.156 122.820 -0.012 0.000 1.902 193 A HA -0.212 4.122 4.320 0.022 0.000 0.217 193 A C 1.944 179.497 177.584 -0.050 0.000 1.181 193 A CA 1.357 53.371 52.037 -0.037 0.000 0.623 193 A CB -0.304 18.733 19.000 0.063 0.000 0.818 193 A HN 0.192 nan 8.150 nan 0.000 0.443 194 E N -0.410 119.777 120.200 -0.022 0.000 2.150 194 E HA -0.103 4.261 4.350 0.022 0.000 0.193 194 E C 2.136 178.728 176.600 -0.015 0.000 0.985 194 E CA 1.524 57.916 56.400 -0.012 0.000 0.814 194 E CB -0.808 28.891 29.700 -0.001 0.000 0.752 194 E HN 0.598 nan 8.360 nan 0.000 0.466 195 T N 1.818 116.363 114.554 -0.016 0.000 2.708 195 T HA -0.097 4.266 4.350 0.022 0.000 0.266 195 T C 2.128 176.828 174.700 0.001 0.000 1.037 195 T CA 0.894 63.005 62.100 0.019 0.000 1.146 195 T CB -0.236 68.657 68.868 0.042 0.000 0.865 195 T HN 0.090 nan 8.240 nan 0.000 0.435 196 L N 0.364 121.532 121.223 -0.092 0.000 2.046 196 L HA -0.083 4.270 4.340 0.022 0.000 0.208 196 L C 2.656 179.438 176.870 -0.148 0.000 1.077 196 L CA 1.385 56.100 54.840 -0.207 0.000 0.747 196 L CB -0.425 41.364 42.059 -0.450 0.000 0.896 196 L HN 0.210 nan 8.230 nan 0.000 0.432 197 K N -0.046 120.300 120.400 -0.089 0.000 2.148 197 K HA -0.104 4.229 4.320 0.022 0.000 0.204 197 K C 2.192 178.789 176.600 -0.004 0.000 1.050 197 K CA 1.210 57.483 56.287 -0.025 0.000 0.942 197 K CB -0.196 32.304 32.500 0.000 0.000 0.724 197 K HN 0.278 nan 8.250 nan 0.000 0.446 198 A N 1.572 124.388 122.820 -0.007 0.000 1.969 198 A HA -0.146 4.187 4.320 0.022 0.000 0.218 198 A C 1.875 179.461 177.584 0.003 0.000 1.169 198 A CA 1.221 53.263 52.037 0.009 0.000 0.635 198 A CB -0.139 18.872 19.000 0.018 0.000 0.810 198 A HN 0.133 nan 8.150 nan 0.000 0.445 199 E N -0.062 120.121 120.200 -0.028 0.000 2.072 199 E HA -0.100 4.263 4.350 0.022 0.000 0.191 199 E C 2.187 178.753 176.600 -0.057 0.000 0.985 199 E CA 1.381 57.739 56.400 -0.071 0.000 0.801 199 E CB -0.541 29.035 29.700 -0.206 0.000 0.750 199 E HN 0.400 nan 8.360 nan 0.000 0.452 200 V N 0.264 120.158 119.914 -0.033 0.000 2.453 200 V HA -0.047 4.087 4.120 0.022 0.000 0.247 200 V C 1.640 177.802 176.094 0.114 0.000 1.048 200 V CA 1.126 63.469 62.300 0.071 0.000 1.049 200 V CB -1.124 30.796 31.823 0.161 0.000 0.672 200 V HN 0.436 nan 8.190 nan 0.000 0.457 201 G N 0.828 109.670 108.800 0.071 0.000 2.582 201 G HA2 -0.347 3.626 3.960 0.022 0.000 0.288 201 G HA3 -0.347 3.626 3.960 0.022 0.000 0.288 201 G C 0.276 175.222 174.900 0.077 0.000 1.247 201 G CA 0.479 45.618 45.100 0.064 0.000 0.972 201 G HN 0.377 nan 8.290 nan 0.000 0.557 202 D N 1.870 122.303 120.400 0.055 0.000 2.349 202 D HA 0.274 4.927 4.640 0.022 0.000 0.224 202 D C 1.617 177.929 176.300 0.020 0.000 1.029 202 D CA 1.007 55.030 54.000 0.038 0.000 0.879 202 D CB -0.573 40.239 40.800 0.019 0.000 0.906 202 D HN 0.759 nan 8.370 nan 0.000 0.528 203 G N 0.922 109.752 108.800 0.050 0.000 2.484 203 G HA2 0.259 4.233 3.960 0.022 0.000 0.235 203 G HA3 0.259 4.233 3.960 0.022 0.000 0.235 203 G C -0.183 174.666 174.900 -0.084 0.000 1.282 203 G CA -0.277 44.803 45.100 -0.034 0.000 0.857 203 G HN 0.248 nan 8.290 nan 0.000 0.571 204 I N 0.906 121.232 120.570 -0.407 0.000 2.509 204 I HA 0.654 4.837 4.170 0.022 0.000 0.293 204 I C -1.419 174.212 176.117 -0.812 0.000 1.020 204 I CA -1.384 59.687 61.300 -0.381 0.000 1.088 204 I CB 1.562 39.446 38.000 -0.193 0.000 1.267 204 I HN 0.543 nan 8.210 nan 0.000 0.430 205 W N 5.560 126.499 121.300 -0.600 0.000 2.883 205 W HA 0.500 5.173 4.660 0.023 0.000 0.335 205 W C -0.832 175.320 176.519 -0.611 0.000 1.083 205 W CA -0.367 56.559 57.345 -0.699 0.000 1.233 205 W CB 1.653 30.429 29.460 -1.140 0.000 1.412 205 W HN 0.330 nan 8.180 nan 0.000 0.490 206 Q N 1.261 120.982 119.800 -0.131 0.000 2.259 206 Q HA 0.537 4.890 4.340 0.022 0.000 0.249 206 Q C -0.735 175.281 176.000 0.027 0.000 0.914 206 Q CA -0.683 55.100 55.803 -0.034 0.000 0.904 206 Q CB 1.876 30.618 28.738 0.007 0.000 1.213 206 Q HN 0.231 nan 8.270 nan 0.000 0.428 207 V N 3.184 123.140 119.914 0.070 0.000 2.334 207 V HA 0.275 4.409 4.120 0.022 0.000 0.281 207 V C -0.499 175.575 176.094 -0.032 0.000 1.016 207 V CA -0.648 61.675 62.300 0.038 0.000 0.832 207 V CB 1.429 33.302 31.823 0.083 0.000 0.999 207 V HN 0.498 nan 8.190 nan 0.000 0.439 208 V N 6.486 126.355 119.914 -0.076 0.000 2.435 208 V HA 0.553 4.686 4.120 0.022 0.000 0.290 208 V C 0.123 176.095 176.094 -0.204 0.000 1.030 208 V CA -0.713 61.524 62.300 -0.105 0.000 0.881 208 V CB 1.732 33.540 31.823 -0.026 0.000 0.983 208 V HN 0.779 nan 8.190 nan 0.000 0.445 209 R N 4.971 125.272 120.500 -0.333 0.000 2.393 209 R HA 0.602 4.956 4.340 0.022 0.000 0.315 209 R C -0.436 175.689 176.300 -0.292 0.000 0.952 209 R CA -0.571 55.310 56.100 -0.365 0.000 0.842 209 R CB 2.197 32.148 30.300 -0.581 0.000 1.163 209 R HN 0.839 nan 8.270 nan 0.000 0.450 210 I N -0.217 120.186 120.570 -0.280 0.000 2.934 210 I HA 0.558 4.741 4.170 0.022 0.000 0.315 210 I C -2.359 173.517 176.117 -0.401 0.000 0.997 210 I CA -2.916 58.125 61.300 -0.432 0.000 1.184 210 I CB 0.967 38.556 38.000 -0.685 0.000 1.400 210 I HN 0.258 nan 8.210 nan 0.000 0.549 211 P HA 0.135 nan 4.420 nan 0.000 0.271 211 P C 0.242 177.389 177.300 -0.255 0.000 1.216 211 P CA -0.077 62.847 63.100 -0.293 0.000 0.771 211 P CB 0.860 32.387 31.700 -0.290 0.000 0.864 212 T N 2.626 117.098 114.554 -0.138 0.000 2.699 212 T HA -0.202 4.162 4.350 0.022 0.000 0.268 212 T C 1.614 176.261 174.700 -0.089 0.000 1.036 212 T CA 1.204 63.248 62.100 -0.094 0.000 1.147 212 T CB -0.729 68.130 68.868 -0.016 0.000 0.862 212 T HN 0.425 nan 8.240 nan 0.000 0.446 213 I N 0.738 121.261 120.570 -0.078 0.000 2.361 213 I HA -0.157 4.027 4.170 0.022 0.000 0.251 213 I C 2.079 178.146 176.117 -0.082 0.000 1.133 213 I CA 1.049 62.317 61.300 -0.054 0.000 1.413 213 I CB 0.031 38.012 38.000 -0.032 0.000 1.073 213 I HN 0.082 nan 8.210 nan 0.000 0.424 214 V N -0.565 119.243 119.914 -0.175 0.000 2.488 214 V HA -0.211 3.923 4.120 0.022 0.000 0.246 214 V C 2.474 178.476 176.094 -0.154 0.000 1.046 214 V CA 1.867 64.041 62.300 -0.210 0.000 1.053 214 V CB -0.210 31.282 31.823 -0.552 0.000 0.679 214 V HN 0.444 nan 8.190 nan 0.000 0.458 215 S N -0.461 115.132 115.700 -0.179 0.000 2.382 215 S HA -0.174 4.309 4.470 0.022 0.000 0.228 215 S C 2.180 176.755 174.600 -0.042 0.000 1.027 215 S CA 1.454 59.583 58.200 -0.119 0.000 0.991 215 S CB -0.174 62.923 63.200 -0.172 0.000 0.823 215 S HN 0.540 nan 8.310 nan 0.000 0.469 216 R N -0.150 120.333 120.500 -0.028 0.000 2.073 216 R HA -0.006 4.347 4.340 0.022 0.000 0.229 216 R C 2.404 178.723 176.300 0.031 0.000 1.120 216 R CA 1.754 57.868 56.100 0.023 0.000 0.967 216 R CB -0.777 29.539 30.300 0.027 0.000 0.862 216 R HN 0.345 nan 8.270 nan 0.000 0.436 217 T N 0.179 114.742 114.554 0.016 0.000 2.867 217 T HA -0.095 4.268 4.350 0.022 0.000 0.268 217 T C 1.445 176.172 174.700 0.045 0.000 1.057 217 T CA 0.893 63.012 62.100 0.031 0.000 1.136 217 T CB -0.006 68.880 68.868 0.030 0.000 0.874 217 T HN 0.280 nan 8.240 nan 0.000 0.466 218 C N 0.739 120.066 119.300 0.044 0.000 2.769 218 C HA 0.611 5.084 4.460 0.022 0.000 0.086 218 C C -0.142 174.898 174.990 0.084 0.000 2.496 218 C CA -0.573 58.484 59.018 0.066 0.000 1.923 218 C CB 0.697 28.483 27.740 0.076 0.000 2.940 218 C HN 0.692 nan 8.230 nan 0.000 0.347 219 D N -1.054 119.403 120.400 0.096 0.000 2.677 219 D HA 0.324 4.977 4.640 0.022 0.000 0.298 219 D C 0.600 176.974 176.300 0.124 0.000 1.250 219 D CA 0.176 54.261 54.000 0.142 0.000 0.888 219 D CB 0.498 41.397 40.800 0.164 0.000 1.397 219 D HN 0.494 nan 8.370 nan 0.000 0.461 220 G N -0.445 108.459 108.800 0.174 0.000 2.422 220 G HA2 0.001 3.974 3.960 0.022 0.000 0.218 220 G HA3 0.001 3.974 3.960 0.022 0.000 0.218 220 G C 1.277 176.249 174.900 0.120 0.000 1.140 220 G CA 1.092 46.270 45.100 0.129 0.000 0.775 220 G HN 0.706 nan 8.290 nan 0.000 0.545 221 A N 0.121 123.015 122.820 0.125 0.000 2.168 221 A HA 0.131 4.464 4.320 0.022 0.000 0.215 221 A C 2.382 180.044 177.584 0.130 0.000 1.152 221 A CA 1.938 54.040 52.037 0.109 0.000 0.716 221 A CB -0.508 18.544 19.000 0.087 0.000 0.794 221 A HN 0.254 nan 8.150 nan 0.000 0.465 222 T N -0.127 114.504 114.554 0.128 0.000 2.821 222 T HA -0.106 4.258 4.350 0.022 0.000 0.267 222 T C 2.007 176.814 174.700 0.178 0.000 1.046 222 T CA 1.876 64.068 62.100 0.154 0.000 1.139 222 T CB -0.365 68.583 68.868 0.133 0.000 0.871 222 T HN 0.563 nan 8.240 nan 0.000 0.454 223 T N 2.390 117.021 114.554 0.128 0.000 2.622 223 T HA -0.153 4.210 4.350 0.022 0.000 0.266 223 T C 2.474 177.269 174.700 0.160 0.000 1.047 223 T CA 1.852 64.013 62.100 0.103 0.000 1.159 223 T CB -0.580 68.318 68.868 0.050 0.000 0.863 223 T HN 0.618 nan 8.240 nan 0.000 0.422 224 S N 1.743 117.553 115.700 0.184 0.000 2.423 224 S HA -0.057 4.426 4.470 0.022 0.000 0.231 224 S C 2.032 176.722 174.600 0.150 0.000 1.014 224 S CA 0.607 58.892 58.200 0.142 0.000 0.965 224 S CB -0.355 62.933 63.200 0.147 0.000 0.785 224 S HN 0.433 nan 8.310 nan 0.000 0.495 225 R N -0.218 120.390 120.500 0.180 0.000 2.062 225 R HA -0.003 4.350 4.340 0.022 0.000 0.229 225 R C 2.205 178.604 176.300 0.165 0.000 1.128 225 R CA 1.306 57.495 56.100 0.149 0.000 0.960 225 R CB -0.465 29.920 30.300 0.142 0.000 0.855 225 R HN 0.580 nan 8.270 nan 0.000 0.432 226 W N 1.779 123.096 121.300 0.029 0.000 2.333 226 W HA -0.202 4.472 4.660 0.022 0.000 0.316 226 W C 2.226 178.748 176.519 0.004 0.000 1.215 226 W CA 1.902 59.255 57.345 0.014 0.000 1.278 226 W CB -0.755 28.709 29.460 0.008 0.000 1.154 226 W HN 0.069 nan 8.180 nan 0.000 0.486 227 S N 0.801 116.710 115.700 0.348 0.000 2.359 227 S HA -0.226 4.257 4.470 0.022 0.000 0.223 227 S C 2.145 176.808 174.600 0.104 0.000 1.039 227 S CA 2.717 61.040 58.200 0.206 0.000 1.042 227 S CB -0.807 62.467 63.200 0.124 0.000 0.915 227 S HN 0.263 nan 8.310 nan 0.000 0.439 228 A N 1.501 124.370 122.820 0.081 0.000 1.969 228 A HA 0.029 4.362 4.320 0.022 0.000 0.218 228 A C 2.263 179.862 177.584 0.025 0.000 1.169 228 A CA 1.598 53.668 52.037 0.055 0.000 0.635 228 A CB -0.542 18.491 19.000 0.056 0.000 0.810 228 A HN 0.574 nan 8.150 nan 0.000 0.445 229 M N -0.595 118.991 119.600 -0.023 0.000 2.132 229 M HA -0.105 4.388 4.480 0.022 0.000 0.263 229 M C 1.983 178.230 176.300 -0.088 0.000 1.065 229 M CA 1.247 56.500 55.300 -0.079 0.000 1.122 229 M CB -1.267 31.223 32.600 -0.183 0.000 1.365 229 M HN 0.378 nan 8.290 nan 0.000 0.411 230 Q N -0.283 119.459 119.800 -0.097 0.000 2.302 230 Q HA 0.169 4.522 4.340 0.022 0.000 0.202 230 Q C 2.243 178.231 176.000 -0.019 0.000 0.936 230 Q CA 0.698 56.451 55.803 -0.084 0.000 0.886 230 Q CB -0.145 28.541 28.738 -0.087 0.000 0.986 230 Q HN 0.532 nan 8.270 nan 0.000 0.487 231 I N 0.558 121.150 120.570 0.036 0.000 2.163 231 I HA -0.245 3.939 4.170 0.022 0.000 0.243 231 I C 2.253 178.420 176.117 0.082 0.000 1.085 231 I CA 1.488 62.861 61.300 0.122 0.000 1.347 231 I CB -0.622 37.454 38.000 0.127 0.000 1.044 231 I HN 0.232 nan 8.210 nan 0.000 0.408 232 G N 0.622 109.440 108.800 0.030 0.000 2.446 232 G HA2 -0.248 3.726 3.960 0.022 0.000 0.217 232 G HA3 -0.248 3.726 3.960 0.022 0.000 0.217 232 G C 1.622 176.498 174.900 -0.040 0.000 1.168 232 G CA 0.592 45.687 45.100 -0.008 0.000 0.771 232 G HN 0.124 nan 8.290 nan 0.000 0.551 233 M N 1.200 120.779 119.600 -0.034 0.000 2.159 233 M HA 0.003 4.496 4.480 0.022 0.000 0.263 233 M C 2.710 178.991 176.300 -0.032 0.000 1.063 233 M CA 1.084 56.360 55.300 -0.040 0.000 1.110 233 M CB -1.133 31.436 32.600 -0.052 0.000 1.374 233 M HN 0.179 nan 8.290 nan 0.000 0.411 234 S N -0.116 115.575 115.700 -0.013 0.000 2.414 234 S HA 0.019 4.503 4.470 0.022 0.000 0.227 234 S C 1.943 176.628 174.600 0.142 0.000 1.022 234 S CA 0.748 58.938 58.200 -0.016 0.000 0.958 234 S CB -0.017 63.082 63.200 -0.169 0.000 0.797 234 S HN 0.363 nan 8.310 nan 0.000 0.493 235 M N 1.103 120.787 119.600 0.140 0.000 2.086 235 M HA -0.008 4.485 4.480 0.022 0.000 0.261 235 M C 2.074 178.336 176.300 -0.063 0.000 1.067 235 M CA 1.420 56.702 55.300 -0.031 0.000 1.116 235 M CB -1.179 31.065 32.600 -0.594 0.000 1.348 235 M HN 0.298 nan 8.290 nan 0.000 0.407 236 I N -0.650 119.857 120.570 -0.104 0.000 2.179 236 I HA -0.303 3.880 4.170 0.022 0.000 0.242 236 I C 2.783 178.896 176.117 -0.006 0.000 1.088 236 I CA 1.407 62.674 61.300 -0.055 0.000 1.357 236 I CB -0.360 37.614 38.000 -0.043 0.000 1.051 236 I HN 0.313 nan 8.210 nan 0.000 0.409 237 S N 0.222 115.915 115.700 -0.013 0.000 2.357 237 S HA -0.083 4.401 4.470 0.022 0.000 0.221 237 S C 2.105 176.695 174.600 -0.017 0.000 1.031 237 S CA 1.304 59.492 58.200 -0.020 0.000 0.982 237 S CB -0.160 63.010 63.200 -0.050 0.000 0.853 237 S HN 0.445 nan 8.310 nan 0.000 0.458 238 A N -0.780 122.011 122.820 -0.049 0.000 2.016 238 A HA 0.201 4.535 4.320 0.022 0.000 0.217 238 A C 1.361 178.804 177.584 -0.236 0.000 1.162 238 A CA 0.753 52.700 52.037 -0.150 0.000 0.662 238 A CB -0.504 18.346 19.000 -0.249 0.000 0.812 238 A HN 0.691 nan 8.150 nan 0.000 0.450 239 Y N -0.901 119.421 120.300 0.037 0.000 2.507 239 Y HA 0.248 4.812 4.550 0.022 0.000 0.254 239 Y C 0.383 176.289 175.900 0.010 0.000 1.171 239 Y CA -0.239 57.872 58.100 0.018 0.000 1.238 239 Y CB 0.267 38.715 38.460 -0.020 0.000 1.148 239 Y HN 0.222 nan 8.280 nan 0.000 0.525 240 K N 0.844 121.300 120.400 0.092 0.000 3.096 240 K HA -0.253 4.080 4.320 0.022 0.000 0.266 240 K C -0.342 176.297 176.600 0.064 0.000 1.043 240 K CA 0.390 56.712 56.287 0.059 0.000 0.758 240 K CB -1.463 31.063 32.500 0.044 0.000 1.260 240 K HN 0.549 nan 8.250 nan 0.000 0.481 241 Q N -0.097 119.742 119.800 0.064 0.000 2.492 241 Q HA 0.374 4.727 4.340 0.022 0.000 0.238 241 Q C 0.606 176.628 176.000 0.037 0.000 1.045 241 Q CA 0.112 55.949 55.803 0.056 0.000 0.934 241 Q CB 0.565 29.328 28.738 0.041 0.000 1.276 241 Q HN 0.410 nan 8.270 nan 0.000 0.521 242 A N 0.749 123.592 122.820 0.038 0.000 2.483 242 A HA 0.327 4.660 4.320 0.022 0.000 0.238 242 A C 0.059 177.657 177.584 0.024 0.000 1.070 242 A CA 0.281 52.334 52.037 0.028 0.000 0.770 242 A CB 0.078 19.095 19.000 0.028 0.000 1.008 242 A HN 0.738 nan 8.150 nan 0.000 0.497 243 A N 2.062 124.892 122.820 0.016 0.000 3.026 243 A HA 0.522 4.855 4.320 0.022 0.000 0.272 243 A C 1.037 178.630 177.584 0.014 0.000 1.782 243 A CA 0.431 52.474 52.037 0.010 0.000 1.451 243 A CB -1.471 17.532 19.000 0.005 0.000 1.081 243 A HN 2.655 nan 8.150 nan 0.000 0.611 244 G N 1.403 110.216 108.800 0.023 0.000 2.740 244 G HA2 0.069 4.042 3.960 0.022 0.000 0.267 244 G HA3 0.069 4.042 3.960 0.022 0.000 0.267 244 G C -0.691 174.228 174.900 0.032 0.000 0.971 244 G CA -0.173 44.944 45.100 0.028 0.000 1.288 244 G HN 1.048 nan 8.290 nan 0.000 0.615 245 E N 0.081 120.308 120.200 0.045 0.000 2.355 245 E HA 0.820 5.183 4.350 0.022 0.000 0.261 245 E C 1.455 178.083 176.600 0.046 0.000 0.943 245 E CA -0.559 55.866 56.400 0.041 0.000 0.806 245 E CB 1.238 30.965 29.700 0.044 0.000 1.286 245 E HN 0.865 nan 8.360 nan 0.000 0.424 246 A N 0.894 123.732 122.820 0.030 0.000 1.948 246 A HA -0.212 4.121 4.320 0.022 0.000 0.220 246 A C 2.219 179.819 177.584 0.028 0.000 1.177 246 A CA 2.400 54.447 52.037 0.018 0.000 0.636 246 A CB -1.230 17.770 19.000 -0.001 0.000 0.815 246 A HN 0.705 nan 8.150 nan 0.000 0.449 247 A N -1.152 121.698 122.820 0.049 0.000 2.067 247 A HA -0.012 4.322 4.320 0.022 0.000 0.219 247 A C 2.168 179.848 177.584 0.161 0.000 1.158 247 A CA 1.984 54.053 52.037 0.053 0.000 0.661 247 A CB -1.110 17.945 19.000 0.091 0.000 0.801 247 A HN 0.455 nan 8.150 nan 0.000 0.452 248 T N -0.072 114.610 114.554 0.212 0.000 2.803 248 T HA -0.100 4.264 4.350 0.022 0.000 0.269 248 T C 1.901 176.742 174.700 0.234 0.000 1.052 248 T CA 1.401 63.674 62.100 0.288 0.000 1.136 248 T CB -0.498 68.454 68.868 0.140 0.000 0.864 248 T HN 0.586 nan 8.240 nan 0.000 0.467 249 G N 1.247 110.116 108.800 0.116 0.000 2.443 249 G HA2 -0.186 3.788 3.960 0.022 0.000 0.219 249 G HA3 -0.186 3.788 3.960 0.022 0.000 0.219 249 G C 1.273 176.210 174.900 0.062 0.000 1.131 249 G CA 0.639 45.785 45.100 0.078 0.000 0.775 249 G HN 0.375 nan 8.290 nan 0.000 0.547 250 D N 0.325 120.709 120.400 -0.025 0.000 2.183 250 D HA -0.029 4.624 4.640 0.022 0.000 0.203 250 D C 2.093 178.316 176.300 -0.128 0.000 0.969 250 D CA 0.381 54.309 54.000 -0.121 0.000 0.842 250 D CB -0.267 40.345 40.800 -0.313 0.000 0.957 250 D HN 0.353 nan 8.370 nan 0.000 0.484 251 F N 1.529 121.489 119.950 0.017 0.000 2.134 251 F HA -0.103 4.437 4.527 0.022 0.000 0.299 251 F C 2.498 178.312 175.800 0.022 0.000 1.097 251 F CA 0.962 58.962 58.000 0.001 0.000 1.264 251 F CB -0.683 38.309 39.000 -0.013 0.000 1.001 251 F HN -0.079 nan 8.300 nan 0.000 0.479 252 A N -0.796 122.156 122.820 0.219 0.000 1.873 252 A HA -0.246 4.088 4.320 0.022 0.000 0.215 252 A C 2.075 179.744 177.584 0.141 0.000 1.186 252 A CA 1.498 53.626 52.037 0.152 0.000 0.616 252 A CB -1.450 17.630 19.000 0.133 0.000 0.823 252 A HN 0.462 nan 8.150 nan 0.000 0.442 253 Y N 0.678 120.990 120.300 0.021 0.000 2.224 253 Y HA -0.080 4.484 4.550 0.022 0.000 0.289 253 Y C 2.623 178.531 175.900 0.013 0.000 1.146 253 Y CA 1.081 59.184 58.100 0.006 0.000 1.182 253 Y CB -0.465 37.978 38.460 -0.028 0.000 0.983 253 Y HN 0.309 nan 8.280 nan 0.000 0.524 254 A N 0.127 122.957 122.820 0.017 0.000 1.898 254 A HA -0.053 4.280 4.320 0.022 0.000 0.216 254 A C 2.359 179.911 177.584 -0.054 0.000 1.181 254 A CA 1.767 53.787 52.037 -0.027 0.000 0.620 254 A CB -1.366 17.653 19.000 0.031 0.000 0.819 254 A HN 0.538 nan 8.150 nan 0.000 0.442 255 A N -0.942 121.872 122.820 -0.010 0.000 2.067 255 A HA 0.127 4.460 4.320 0.022 0.000 0.217 255 A C 1.361 178.927 177.584 -0.030 0.000 1.156 255 A CA 0.779 52.809 52.037 -0.011 0.000 0.683 255 A CB -0.057 18.965 19.000 0.036 0.000 0.808 255 A HN 0.510 nan 8.150 nan 0.000 0.455 259 E N 0.050 120.249 120.200 -0.002 0.000 3.191 259 E HA 0.484 4.848 4.350 0.022 0.000 0.192 259 E C -0.649 175.983 176.600 0.053 0.000 0.972 259 E CA -0.183 56.215 56.400 -0.003 0.000 1.266 259 E CB 0.591 30.133 29.700 -0.264 0.000 1.076 259 E HN 0.251 nan 8.360 nan 0.000 0.462 260 V N 1.774 121.685 119.914 -0.003 0.000 2.567 260 V HA 0.356 4.490 4.120 0.022 0.000 0.289 260 V C -0.648 175.412 176.094 -0.057 0.000 1.049 260 V CA -0.708 61.552 62.300 -0.067 0.000 0.969 260 V CB 1.277 32.979 31.823 -0.201 0.000 0.995 260 V HN 0.314 nan 8.190 nan 0.000 0.471 261 I N 6.154 126.676 120.570 -0.080 0.000 2.420 261 I HA 0.402 4.585 4.170 0.022 0.000 0.282 261 I C -0.027 176.056 176.117 -0.057 0.000 1.019 261 I CA -0.381 60.888 61.300 -0.053 0.000 1.130 261 I CB 0.837 38.772 38.000 -0.108 0.000 1.262 261 I HN 0.697 nan 8.210 nan 0.000 0.454 262 H N 5.135 124.267 119.070 0.104 0.000 2.690 262 H HA 0.238 4.808 4.556 0.022 0.000 0.365 262 H C 1.278 176.724 175.328 0.197 0.000 1.142 262 H CA -0.294 55.826 56.048 0.120 0.000 1.417 262 H CB 1.224 31.048 29.762 0.103 0.000 1.446 262 H HN 0.405 nan 8.280 nan 0.000 0.599 263 M N 1.104 120.898 119.600 0.322 0.000 2.200 263 M HA 0.074 4.567 4.480 0.022 0.000 0.265 263 M C 1.025 177.485 176.300 0.267 0.000 1.066 263 M CA 0.816 56.316 55.300 0.333 0.000 1.127 263 M CB -0.475 32.271 32.600 0.242 0.000 1.379 263 M HN 0.695 nan 8.290 nan 0.000 0.420 264 G N 0.075 108.974 108.800 0.165 0.000 2.620 264 G HA2 0.526 4.500 3.960 0.022 0.000 0.301 264 G HA3 0.526 4.500 3.960 0.022 0.000 0.301 264 G C -0.642 174.235 174.900 -0.039 0.000 1.347 264 G CA -0.507 44.597 45.100 0.007 0.000 0.971 264 G HN 0.232 nan 8.290 nan 0.000 0.488 265 T N -1.155 113.318 114.554 -0.134 0.000 2.902 265 T HA 0.565 4.928 4.350 0.022 0.000 0.280 265 T C 0.376 174.955 174.700 -0.201 0.000 0.992 265 T CA -0.607 61.380 62.100 -0.188 0.000 1.015 265 T CB 0.998 69.710 68.868 -0.260 0.000 1.044 265 T HN 0.742 nan 8.240 nan 0.000 0.520 266 Y N 0.424 120.661 120.300 -0.106 0.000 2.335 266 Y HA 0.621 5.184 4.550 0.023 0.000 0.348 266 Y C -0.434 175.438 175.900 -0.048 0.000 1.280 266 Y CA -1.463 56.596 58.100 -0.068 0.000 1.504 266 Y CB 0.068 38.497 38.460 -0.051 0.000 1.366 266 Y HN 0.552 nan 8.280 nan 0.000 0.621 267 L N 2.036 123.355 121.223 0.160 0.000 2.322 267 L HA 0.527 4.881 4.340 0.022 0.000 0.269 267 L C -2.127 174.841 176.870 0.164 0.000 1.012 267 L CA -2.390 52.500 54.840 0.083 0.000 0.815 267 L CB 1.704 43.833 42.059 0.116 0.000 1.295 267 L HN 0.530 nan 8.230 nan 0.000 0.438 268 P HA 0.044 nan 4.420 nan 0.000 0.270 268 P C 0.778 178.136 177.300 0.096 0.000 1.223 268 P CA -0.416 62.741 63.100 0.095 0.000 0.785 268 P CB 0.751 32.474 31.700 0.039 0.000 0.923 269 V N 0.246 120.206 119.914 0.078 0.000 2.490 269 V HA -0.165 3.968 4.120 0.022 0.000 0.250 269 V C 1.728 177.856 176.094 0.057 0.000 1.061 269 V CA 1.408 63.748 62.300 0.065 0.000 1.064 269 V CB -0.819 31.030 31.823 0.043 0.000 0.670 269 V HN 0.559 nan 8.190 nan 0.000 0.461 273 R N 0.298 120.909 120.500 0.185 0.000 2.634 273 R HA 0.605 4.959 4.340 0.022 0.000 0.263 273 R C 0.531 176.937 176.300 0.177 0.000 1.060 273 R CA 0.215 56.438 56.100 0.205 0.000 0.898 273 R CB 1.837 32.290 30.300 0.255 0.000 1.253 273 R HN 1.422 nan 8.270 nan 0.000 0.461 274 G N 0.724 109.615 108.800 0.153 0.000 2.494 274 G HA2 0.262 4.235 3.960 0.022 0.000 0.270 274 G HA3 0.262 4.235 3.960 0.022 0.000 0.270 274 G C -0.643 174.321 174.900 0.108 0.000 1.423 274 G CA -0.357 44.817 45.100 0.124 0.000 1.055 274 G HN 0.490 nan 8.290 nan 0.000 0.536 275 E N -0.724 119.496 120.200 0.033 0.000 2.409 275 E HA 0.200 4.563 4.350 0.022 0.000 0.257 275 E C 0.240 176.867 176.600 0.044 0.000 1.150 275 E CA 0.114 56.474 56.400 -0.067 0.000 0.942 275 E CB 0.208 29.638 29.700 -0.449 0.000 0.979 275 E HN 0.403 nan 8.360 nan 0.000 0.447 276 N N 0.938 119.683 118.700 0.076 0.000 2.740 276 N HA -0.166 4.588 4.740 0.022 0.000 0.248 276 N C -1.306 174.382 175.510 0.297 0.000 1.062 276 N CA 0.869 54.023 53.050 0.174 0.000 0.704 276 N CB -0.701 37.874 38.487 0.147 0.000 0.968 276 N HN 0.338 nan 8.380 nan 0.000 0.547 277 E N -1.376 118.943 120.200 0.198 0.000 2.281 277 E HA 0.367 4.731 4.350 0.022 0.000 0.262 277 E C -1.593 174.816 176.600 -0.319 0.000 0.933 277 E CA -1.784 54.681 56.400 0.107 0.000 0.809 277 E CB 0.905 30.616 29.700 0.019 0.000 1.242 277 E HN -0.088 nan 8.360 nan 0.000 0.418 278 P HA -0.080 nan 4.420 nan 0.000 0.217 278 P C 1.244 177.859 177.300 -1.142 0.000 1.150 278 P CA 1.399 63.869 63.100 -1.051 0.000 0.832 278 P CB 0.183 31.168 31.700 -1.191 0.000 0.787 279 G N -0.373 107.206 108.800 -2.036 0.000 2.470 279 G HA2 -0.174 3.799 3.960 0.022 0.000 0.220 279 G HA3 -0.174 3.799 3.960 0.022 0.000 0.220 279 G C 1.566 176.064 174.900 -0.671 0.000 1.121 279 G CA 0.818 45.011 45.100 -1.512 0.000 0.766 279 G HN 0.395 nan 8.290 nan 0.000 0.553 280 G N -0.454 108.046 108.800 -0.500 0.000 2.985 280 G HA2 0.260 4.234 3.960 0.022 0.000 0.209 280 G HA3 0.260 4.234 3.960 0.022 0.000 0.209 280 G C 0.249 174.988 174.900 -0.268 0.000 1.165 280 G CA -0.044 44.868 45.100 -0.313 0.000 0.776 280 G HN 0.248 nan 8.290 nan 0.000 0.541 281 V N 3.822 123.598 119.914 -0.229 0.000 2.389 281 V HA 0.215 4.348 4.120 0.022 0.000 0.264 281 V C -1.620 174.372 176.094 -0.169 0.000 1.049 281 V CA -1.777 60.458 62.300 -0.108 0.000 0.932 281 V CB 1.281 33.130 31.823 0.044 0.000 1.011 281 V HN 0.118 nan 8.190 nan 0.000 0.475 282 P HA 0.137 nan 4.420 nan 0.000 0.272 282 P C 0.547 177.793 177.300 -0.090 0.000 1.230 282 P CA -0.193 62.692 63.100 -0.359 0.000 0.788 282 P CB 0.726 32.227 31.700 -0.332 0.000 0.949 283 F N 0.881 120.833 119.950 0.004 0.000 2.216 283 F HA -0.045 4.495 4.527 0.023 0.000 0.300 283 F C 2.635 178.508 175.800 0.122 0.000 1.085 283 F CA 1.790 59.840 58.000 0.084 0.000 1.326 283 F CB -1.987 37.006 39.000 -0.011 0.000 1.027 283 F HN 0.398 nan 8.300 nan 0.000 0.497 284 G N -1.224 107.735 108.800 0.265 0.000 2.408 284 G HA2 -0.259 3.714 3.960 0.022 0.000 0.217 284 G HA3 -0.259 3.714 3.960 0.022 0.000 0.217 284 G C 1.523 176.725 174.900 0.503 0.000 1.150 284 G CA 0.551 45.861 45.100 0.349 0.000 0.776 284 G HN 0.247 nan 8.290 nan 0.000 0.542 285 Y N 0.159 120.646 120.300 0.311 0.000 2.181 285 Y HA 0.029 4.592 4.550 0.022 0.000 0.288 285 Y C 2.661 178.602 175.900 0.068 0.000 1.146 285 Y CA -0.144 58.047 58.100 0.151 0.000 1.164 285 Y CB -0.678 37.842 38.460 0.099 0.000 0.982 285 Y HN 0.075 nan 8.280 nan 0.000 0.515 286 L N -0.124 121.269 121.223 0.283 0.000 2.046 286 L HA -0.183 4.170 4.340 0.022 0.000 0.208 286 L C 2.231 179.160 176.870 0.099 0.000 1.077 286 L CA 2.140 57.058 54.840 0.130 0.000 0.747 286 L CB -1.258 40.914 42.059 0.188 0.000 0.896 286 L HN 0.229 nan 8.230 nan 0.000 0.432 287 A N -0.524 122.395 122.820 0.164 0.000 1.933 287 A HA -0.213 4.121 4.320 0.022 0.000 0.218 287 A C 1.871 179.521 177.584 0.110 0.000 1.175 287 A CA 1.750 53.868 52.037 0.134 0.000 0.628 287 A CB -0.476 18.618 19.000 0.157 0.000 0.814 287 A HN 0.494 nan 8.150 nan 0.000 0.444 288 D N -0.246 120.219 120.400 0.109 0.000 2.194 288 D HA -0.021 4.632 4.640 0.022 0.000 0.204 288 D C 1.848 178.142 176.300 -0.010 0.000 0.964 288 D CA 0.707 54.750 54.000 0.071 0.000 0.846 288 D CB -0.221 40.610 40.800 0.051 0.000 0.962 288 D HN 0.515 nan 8.370 nan 0.000 0.490 289 I N 0.672 121.154 120.570 -0.146 0.000 2.179 289 I HA -0.192 3.991 4.170 0.022 0.000 0.242 289 I C 1.468 177.448 176.117 -0.228 0.000 1.088 289 I CA 0.301 61.302 61.300 -0.498 0.000 1.357 289 I CB -0.056 37.479 38.000 -0.774 0.000 1.051 289 I HN 0.040 nan 8.210 nan 0.000 0.409 290 C N 2.686 121.974 119.300 -0.019 0.000 2.611 290 C HA -0.046 4.427 4.460 0.022 0.000 0.416 290 C C 1.552 176.631 174.990 0.148 0.000 1.366 290 C CA -0.083 59.020 59.018 0.142 0.000 1.761 290 C CB -0.027 27.779 27.740 0.110 0.000 2.619 290 C HN 0.419 nan 8.230 nan 0.000 0.606 291 Q N 3.191 123.113 119.800 0.203 0.000 2.198 291 Q HA 0.030 4.383 4.340 0.022 0.000 0.209 291 Q C 2.008 178.081 176.000 0.123 0.000 0.848 291 Q CA 0.264 56.166 55.803 0.165 0.000 0.974 291 Q CB 0.325 29.172 28.738 0.181 0.000 1.115 291 Q HN 0.937 nan 8.270 nan 0.000 0.494 292 S N 1.239 117.008 115.700 0.115 0.000 2.400 292 S HA -0.169 4.314 4.470 0.022 0.000 0.232 292 S C 2.049 176.720 174.600 0.118 0.000 1.025 292 S CA 1.789 60.042 58.200 0.088 0.000 0.993 292 S CB 0.109 63.352 63.200 0.072 0.000 0.808 292 S HN 0.589 nan 8.310 nan 0.000 0.478 293 S N 2.364 118.156 115.700 0.153 0.000 2.400 293 S HA -0.206 4.277 4.470 0.022 0.000 0.232 293 S C 1.832 176.594 174.600 0.270 0.000 1.025 293 S CA 1.261 59.581 58.200 0.200 0.000 0.993 293 S CB -0.719 62.602 63.200 0.202 0.000 0.808 293 S HN 0.855 nan 8.310 nan 0.000 0.478 294 R N 1.153 121.783 120.500 0.216 0.000 2.297 294 R HA 0.227 4.580 4.340 0.022 0.000 0.197 294 R C 1.771 178.242 176.300 0.285 0.000 0.943 294 R CA 0.860 57.082 56.100 0.203 0.000 1.038 294 R CB -0.344 29.868 30.300 -0.146 0.000 0.957 294 R HN 0.545 nan 8.270 nan 0.000 0.484 295 V N -3.289 116.743 119.914 0.195 0.000 3.219 295 V HA 0.255 4.388 4.120 0.022 0.000 0.240 295 V C 0.674 176.697 176.094 -0.118 0.000 1.222 295 V CA -0.021 62.329 62.300 0.083 0.000 1.181 295 V CB 0.125 31.958 31.823 0.016 0.000 0.941 295 V HN 0.144 nan 8.190 nan 0.000 0.471 296 N N 0.757 119.408 118.700 -0.082 0.000 2.321 296 N HA 0.190 4.943 4.740 0.022 0.000 0.242 296 N C 1.121 176.523 175.510 -0.180 0.000 1.141 296 N CA 0.415 53.365 53.050 -0.166 0.000 0.864 296 N CB 0.170 38.629 38.487 -0.046 0.000 1.100 296 N HN 0.852 nan 8.380 nan 0.000 0.510 297 Y N 0.206 120.527 120.300 0.036 0.000 2.403 297 Y HA 0.101 4.664 4.550 0.022 0.000 0.291 297 Y C 1.651 177.563 175.900 0.021 0.000 1.143 297 Y CA 0.526 58.648 58.100 0.037 0.000 1.257 297 Y CB -0.234 38.256 38.460 0.050 0.000 0.984 297 Y HN -0.119 nan 8.280 nan 0.000 0.550 298 E N 0.483 120.542 120.200 -0.235 0.000 2.418 298 E HA -0.099 4.265 4.350 0.022 0.000 0.197 298 E C -0.221 176.353 176.600 -0.045 0.000 1.026 298 E CA 0.847 57.203 56.400 -0.072 0.000 0.862 298 E CB -0.132 29.484 29.700 -0.140 0.000 0.799 298 E HN 0.491 nan 8.360 nan 0.000 0.518 299 D N -0.201 120.171 120.400 -0.047 0.000 2.408 299 D HA 0.116 4.769 4.640 0.022 0.000 0.261 299 D C -1.993 174.290 176.300 -0.028 0.000 1.190 299 D CA -2.227 51.766 54.000 -0.012 0.000 0.910 299 D CB 1.439 42.259 40.800 0.033 0.000 1.097 299 D HN -0.203 nan 8.370 nan 0.000 0.522 300 P HA -0.104 nan 4.420 nan 0.000 0.218 300 P C 1.632 178.889 177.300 -0.072 0.000 1.149 300 P CA 0.340 63.372 63.100 -0.113 0.000 0.817 300 P CB 0.674 32.187 31.700 -0.311 0.000 0.785 301 V N 0.956 120.766 119.914 -0.173 0.000 2.295 301 V HA -0.219 3.914 4.120 0.022 0.000 0.246 301 V C 2.888 178.933 176.094 -0.081 0.000 1.049 301 V CA 2.101 64.310 62.300 -0.151 0.000 1.024 301 V CB -1.142 30.260 31.823 -0.702 0.000 0.648 301 V HN 0.066 nan 8.190 nan 0.000 0.447 302 R N 0.584 121.063 120.500 -0.035 0.000 2.081 302 R HA -0.114 4.239 4.340 0.022 0.000 0.235 302 R C 1.986 178.311 176.300 0.042 0.000 1.131 302 R CA 1.949 58.069 56.100 0.033 0.000 0.960 302 R CB -1.160 29.179 30.300 0.065 0.000 0.856 302 R HN 0.335 nan 8.270 nan 0.000 0.436 303 V N 0.175 120.121 119.914 0.054 0.000 2.261 303 V HA -0.227 3.906 4.120 0.022 0.000 0.246 303 V C 2.210 178.361 176.094 0.095 0.000 1.047 303 V CA 2.258 64.607 62.300 0.082 0.000 1.015 303 V CB -0.642 31.244 31.823 0.105 0.000 0.642 303 V HN 0.393 nan 8.190 nan 0.000 0.446 304 S N 0.018 115.791 115.700 0.122 0.000 2.368 304 S HA -0.081 4.402 4.470 0.022 0.000 0.225 304 S C 1.839 176.487 174.600 0.080 0.000 1.030 304 S CA 1.440 59.716 58.200 0.126 0.000 0.999 304 S CB -0.306 63.012 63.200 0.198 0.000 0.844 304 S HN 0.465 nan 8.310 nan 0.000 0.459 305 L N 0.995 122.258 121.223 0.066 0.000 2.341 305 L HA -0.013 4.340 4.340 0.022 0.000 0.214 305 L C 1.797 178.699 176.870 0.053 0.000 1.115 305 L CA 0.677 55.551 54.840 0.057 0.000 0.820 305 L CB -0.524 41.562 42.059 0.045 0.000 0.944 305 L HN 0.168 nan 8.230 nan 0.000 0.452 306 D N 0.049 120.473 120.400 0.040 0.000 2.144 306 D HA -0.130 4.524 4.640 0.022 0.000 0.200 306 D C 2.336 178.648 176.300 0.021 0.000 0.978 306 D CA 0.980 54.986 54.000 0.010 0.000 0.833 306 D CB 0.044 40.851 40.800 0.011 0.000 0.961 306 D HN 0.070 nan 8.370 nan 0.000 0.470 307 V N 0.657 120.601 119.914 0.051 0.000 2.343 307 V HA -0.205 3.929 4.120 0.022 0.000 0.247 307 V C 2.667 178.795 176.094 0.056 0.000 1.051 307 V CA 0.996 63.332 62.300 0.060 0.000 1.036 307 V CB -0.432 31.437 31.823 0.078 0.000 0.654 307 V HN 0.057 nan 8.190 nan 0.000 0.451 308 V N 0.385 120.334 119.914 0.059 0.000 2.332 308 V HA -0.287 3.846 4.120 0.022 0.000 0.248 308 V C 2.709 178.873 176.094 0.117 0.000 1.055 308 V CA 2.085 64.428 62.300 0.072 0.000 1.038 308 V CB -1.190 30.677 31.823 0.074 0.000 0.651 308 V HN 0.568 nan 8.190 nan 0.000 0.450 309 A N -0.194 122.692 122.820 0.110 0.000 1.877 309 A HA -0.236 4.098 4.320 0.022 0.000 0.216 309 A C 2.410 180.063 177.584 0.115 0.000 1.186 309 A CA 2.544 54.657 52.037 0.127 0.000 0.620 309 A CB -1.056 17.925 19.000 -0.032 0.000 0.822 309 A HN 0.508 nan 8.150 nan 0.000 0.443 310 T N -0.265 114.310 114.554 0.035 0.000 2.684 310 T HA -0.092 4.271 4.350 0.022 0.000 0.267 310 T C 1.922 176.625 174.700 0.006 0.000 1.036 310 T CA 1.689 63.815 62.100 0.044 0.000 1.148 310 T CB -0.646 68.230 68.868 0.012 0.000 0.863 310 T HN 0.589 nan 8.240 nan 0.000 0.436 311 G N 0.645 109.442 108.800 -0.005 0.000 2.408 311 G HA2 0.123 4.097 3.960 0.022 0.000 0.215 311 G HA3 0.123 4.097 3.960 0.022 0.000 0.215 311 G C 1.833 176.783 174.900 0.083 0.000 1.156 311 G CA 0.754 45.809 45.100 -0.074 0.000 0.793 311 G HN 0.569 nan 8.290 nan 0.000 0.535 312 A N 0.750 123.664 122.820 0.158 0.000 1.877 312 A HA -0.024 4.310 4.320 0.022 0.000 0.216 312 A C 2.309 180.010 177.584 0.195 0.000 1.186 312 A CA 2.069 54.232 52.037 0.210 0.000 0.620 312 A CB -0.425 18.740 19.000 0.276 0.000 0.822 312 A HN 0.337 nan 8.150 nan 0.000 0.443 313 M N -0.609 119.085 119.600 0.156 0.000 2.059 313 M HA -0.116 4.377 4.480 0.022 0.000 0.259 313 M C 2.149 178.424 176.300 -0.042 0.000 1.072 313 M CA 2.096 57.406 55.300 0.016 0.000 1.117 313 M CB -0.939 31.500 32.600 -0.267 0.000 1.320 313 M HN 0.380 nan 8.290 nan 0.000 0.408 314 L N 0.235 121.397 121.223 -0.102 0.000 1.994 314 L HA -0.217 4.136 4.340 0.022 0.000 0.208 314 L C 2.101 178.917 176.870 -0.090 0.000 1.071 314 L CA 2.040 56.754 54.840 -0.210 0.000 0.745 314 L CB -1.324 40.514 42.059 -0.369 0.000 0.892 314 L HN 0.314 nan 8.230 nan 0.000 0.431 315 Y N -0.393 119.921 120.300 0.023 0.000 2.263 315 Y HA -0.101 4.463 4.550 0.022 0.000 0.292 315 Y C 2.429 178.438 175.900 0.182 0.000 1.130 315 Y CA 1.139 59.313 58.100 0.123 0.000 1.179 315 Y CB -0.679 37.859 38.460 0.130 0.000 0.998 315 Y HN 0.281 nan 8.280 nan 0.000 0.532 316 D N -0.992 119.578 120.400 0.283 0.000 2.201 316 D HA -0.056 4.598 4.640 0.022 0.000 0.209 316 D C 1.975 178.421 176.300 0.243 0.000 0.961 316 D CA 0.933 55.079 54.000 0.244 0.000 0.861 316 D CB -0.170 40.743 40.800 0.190 0.000 0.997 316 D HN 0.379 nan 8.370 nan 0.000 0.486 317 Q N -0.082 119.795 119.800 0.129 0.000 2.061 317 Q HA 0.112 4.465 4.340 0.022 0.000 0.195 317 Q C 2.269 178.163 176.000 -0.178 0.000 0.967 317 Q CA 0.693 56.526 55.803 0.051 0.000 0.829 317 Q CB 0.453 29.214 28.738 0.038 0.000 0.900 317 Q HN 0.256 nan 8.270 nan 0.000 0.450 318 I N -0.527 119.857 120.570 -0.309 0.000 2.429 318 I HA -0.137 4.046 4.170 0.022 0.000 0.247 318 I C 2.134 178.151 176.117 -0.167 0.000 1.099 318 I CA 0.554 61.497 61.300 -0.594 0.000 1.422 318 I CB -0.227 37.430 38.000 -0.572 0.000 1.112 318 I HN 0.399 nan 8.210 nan 0.000 0.430 319 W N 1.948 123.100 121.300 -0.246 0.000 2.424 319 W HA -0.116 4.556 4.660 0.022 0.000 0.323 319 W C 2.115 178.633 176.519 -0.003 0.000 1.175 319 W CA 1.065 58.303 57.345 -0.178 0.000 1.312 319 W CB -0.284 29.052 29.460 -0.208 0.000 1.186 319 W HN -0.029 nan 8.180 nan 0.000 0.463 320 L N 0.907 122.062 121.223 -0.112 0.000 2.141 320 L HA -0.045 4.309 4.340 0.022 0.000 0.209 320 L C 2.603 179.482 176.870 0.015 0.000 1.094 320 L CA 1.416 56.175 54.840 -0.133 0.000 0.763 320 L CB -1.297 40.832 42.059 0.117 0.000 0.908 320 L HN 0.164 nan 8.230 nan 0.000 0.437 321 G N -2.107 106.711 108.800 0.031 0.000 2.985 321 G HA2 -0.035 3.938 3.960 0.022 0.000 0.209 321 G HA3 -0.035 3.938 3.960 0.022 0.000 0.209 321 G C 1.388 176.134 174.900 -0.257 0.000 1.165 321 G CA 0.820 45.713 45.100 -0.345 0.000 0.776 321 G HN 0.310 nan 8.290 nan 0.000 0.541 322 S N -1.826 113.774 115.700 -0.166 0.000 4.098 322 S HA 0.128 4.611 4.470 0.022 0.000 0.193 322 S C 1.658 176.187 174.600 -0.118 0.000 1.049 322 S CA -0.119 58.024 58.200 -0.095 0.000 1.034 322 S CB -0.544 62.622 63.200 -0.057 0.000 1.380 322 S HN 0.124 nan 8.310 nan 0.000 0.629 323 Y N 1.801 121.949 120.300 -0.254 0.000 2.139 323 Y HA -0.021 4.543 4.550 0.022 0.000 0.282 323 Y C 2.201 177.861 175.900 -0.400 0.000 1.179 323 Y CA 1.623 59.560 58.100 -0.271 0.000 1.161 323 Y CB -0.066 38.231 38.460 -0.271 0.000 0.970 323 Y HN 0.291 nan 8.280 nan 0.000 0.511 324 M N -1.456 117.909 119.600 -0.392 0.000 2.383 324 M HA 0.166 4.660 4.480 0.022 0.000 0.247 324 M C 0.943 177.122 176.300 -0.202 0.000 1.117 324 M CA 0.584 55.655 55.300 -0.382 0.000 0.995 324 M CB -0.445 31.813 32.600 -0.570 0.000 1.480 324 M HN 0.375 nan 8.290 nan 0.000 0.485 325 S N -1.223 114.370 115.700 -0.179 0.000 5.444 325 S HA 0.696 5.179 4.470 0.022 0.000 0.141 325 S C 0.612 175.124 174.600 -0.147 0.000 1.258 325 S CA 0.318 58.427 58.200 -0.150 0.000 1.126 325 S CB 0.804 63.901 63.200 -0.172 0.000 2.053 325 S HN 0.503 nan 8.310 nan 0.000 0.692 326 G N -0.120 108.560 108.800 -0.200 0.000 2.462 326 G HA2 0.474 4.448 3.960 0.022 0.000 0.685 326 G HA3 0.474 4.448 3.960 0.022 0.000 0.685 326 G C 0.601 175.436 174.900 -0.109 0.000 1.295 326 G CA 0.329 45.366 45.100 -0.105 0.000 0.941 326 G HN 2.536 nan 8.290 nan 0.000 0.554 327 G N -2.136 106.642 108.800 -0.037 0.000 2.484 327 G HA2 0.112 4.086 3.960 0.022 0.000 0.225 327 G HA3 0.112 4.086 3.960 0.022 0.000 0.225 327 G C 1.167 176.080 174.900 0.022 0.000 1.250 327 G CA 1.003 46.087 45.100 -0.026 0.000 0.926 327 G HN 1.987 nan 8.290 nan 0.000 0.581 328 V N 2.012 121.946 119.914 0.033 0.000 2.324 328 V HA 0.219 4.353 4.120 0.022 0.000 0.250 328 V C 2.709 178.904 176.094 0.169 0.000 1.060 328 V CA 3.568 65.941 62.300 0.121 0.000 1.042 328 V CB -1.547 30.332 31.823 0.094 0.000 0.650 328 V HN 2.800 nan 8.190 nan 0.000 0.450 329 G N -0.606 108.169 108.800 -0.040 0.000 2.525 329 G HA2 -0.247 3.727 3.960 0.022 0.000 0.248 329 G HA3 -0.247 3.727 3.960 0.022 0.000 0.248 329 G C -0.301 174.559 174.900 -0.067 0.000 1.238 329 G CA 0.124 45.040 45.100 -0.307 0.000 0.926 329 G HN 0.256 nan 8.290 nan 0.000 0.574 330 F N 1.648 121.641 119.950 0.072 0.000 2.841 330 F HA 0.391 4.932 4.527 0.023 0.000 0.358 330 F C 2.073 177.905 175.800 0.053 0.000 1.261 330 F CA -0.024 58.058 58.000 0.136 0.000 1.233 330 F CB -0.043 39.085 39.000 0.213 0.000 1.008 330 F HN 0.420 nan 8.300 nan 0.000 0.507 331 T N -0.549 114.063 114.554 0.096 0.000 2.607 331 T HA -0.258 4.105 4.350 0.022 0.000 0.267 331 T C 1.874 176.548 174.700 -0.043 0.000 1.049 331 T CA 1.900 63.998 62.100 -0.004 0.000 1.162 331 T CB -0.069 68.781 68.868 -0.031 0.000 0.863 331 T HN 0.359 nan 8.240 nan 0.000 0.424 332 Q N -0.747 119.000 119.800 -0.088 0.000 2.378 332 Q HA 0.031 4.384 4.340 0.022 0.000 0.205 332 Q C 1.888 177.764 176.000 -0.208 0.000 0.954 332 Q CA 0.559 56.222 55.803 -0.235 0.000 0.901 332 Q CB -0.143 28.471 28.738 -0.207 0.000 0.981 332 Q HN 0.558 nan 8.270 nan 0.000 0.483 333 Y N 0.246 120.484 120.300 -0.104 0.000 2.256 333 Y HA -0.231 4.332 4.550 0.022 0.000 0.288 333 Y C 2.247 178.089 175.900 -0.096 0.000 1.155 333 Y CA 1.190 59.220 58.100 -0.116 0.000 1.203 333 Y CB -0.370 38.013 38.460 -0.127 0.000 0.980 333 Y HN 0.163 nan 8.280 nan 0.000 0.530 334 A N -0.732 122.141 122.820 0.088 0.000 1.911 334 A HA -0.084 4.249 4.320 0.022 0.000 0.212 334 A C 2.284 179.723 177.584 -0.242 0.000 1.189 334 A CA 1.542 53.615 52.037 0.059 0.000 0.639 334 A CB -1.198 17.918 19.000 0.194 0.000 0.839 334 A HN 0.433 nan 8.150 nan 0.000 0.449 335 T N -1.715 112.525 114.554 -0.523 0.000 2.929 335 T HA 0.027 4.390 4.350 0.022 0.000 0.271 335 T C 1.768 176.046 174.700 -0.704 0.000 1.085 335 T CA 1.429 62.857 62.100 -1.120 0.000 1.125 335 T CB -0.492 67.806 68.868 -0.951 0.000 0.874 335 T HN 0.530 nan 8.240 nan 0.000 0.494 336 A N 1.455 124.043 122.820 -0.387 0.000 2.070 336 A HA 0.393 4.726 4.320 0.022 0.000 0.220 336 A C 2.564 180.060 177.584 -0.147 0.000 1.159 336 A CA 1.399 53.305 52.037 -0.219 0.000 0.656 336 A CB -0.989 17.928 19.000 -0.138 0.000 0.800 336 A HN 0.780 nan 8.150 nan 0.000 0.453 337 A N -1.599 121.149 122.820 -0.120 0.000 2.275 337 A HA 0.350 4.683 4.320 0.022 0.000 0.212 337 A C 1.131 178.784 177.584 0.116 0.000 1.201 337 A CA 0.884 52.932 52.037 0.019 0.000 0.843 337 A CB -0.333 18.728 19.000 0.101 0.000 0.873 337 A HN 1.079 nan 8.150 nan 0.000 0.492 338 Y N -1.989 118.331 120.300 0.033 0.000 2.825 338 Y HA 0.397 4.960 4.550 0.022 0.000 0.259 338 Y C 0.112 176.037 175.900 0.042 0.000 1.113 338 Y CA -0.369 57.766 58.100 0.058 0.000 1.241 338 Y CB -0.654 37.885 38.460 0.132 0.000 1.331 338 Y HN 0.084 nan 8.280 nan 0.000 0.570 339 T N -3.483 111.043 114.554 -0.047 0.000 2.901 339 T HA 0.481 4.845 4.350 0.022 0.000 0.293 339 T C -0.289 174.430 174.700 0.032 0.000 1.084 339 T CA -0.132 61.969 62.100 0.001 0.000 1.008 339 T CB 1.840 70.662 68.868 -0.077 0.000 1.170 339 T HN 0.074 nan 8.240 nan 0.000 0.509 340 D N 0.640 121.072 120.400 0.054 0.000 3.077 340 D HA -0.178 4.475 4.640 0.022 0.000 0.217 340 D C 0.300 176.660 176.300 0.101 0.000 1.162 340 D CA 1.360 55.410 54.000 0.083 0.000 0.943 340 D CB -1.485 39.386 40.800 0.118 0.000 1.122 340 D HN 0.821 nan 8.370 nan 0.000 0.413 341 N N -1.373 117.374 118.700 0.078 0.000 2.714 341 N HA -0.245 4.508 4.740 0.022 0.000 0.250 341 N C 1.128 176.701 175.510 0.105 0.000 1.117 341 N CA 1.268 54.378 53.050 0.099 0.000 0.719 341 N CB -1.413 37.133 38.487 0.099 0.000 1.081 341 N HN 0.498 nan 8.380 nan 0.000 0.557 342 I N -0.226 120.348 120.570 0.007 0.000 2.206 342 I HA -0.175 4.009 4.170 0.022 0.000 0.239 342 I C 2.376 178.217 176.117 -0.460 0.000 1.078 342 I CA 0.601 61.774 61.300 -0.211 0.000 1.367 342 I CB -0.147 37.653 38.000 -0.333 0.000 1.078 342 I HN 0.100 nan 8.210 nan 0.000 0.413 343 L N 1.365 122.426 121.223 -0.269 0.000 2.079 343 L HA -0.251 4.102 4.340 0.022 0.000 0.210 343 L C 1.689 178.561 176.870 0.002 0.000 1.081 343 L CA 2.100 56.850 54.840 -0.150 0.000 0.752 343 L CB -0.858 41.192 42.059 -0.014 0.000 0.896 343 L HN 0.218 nan 8.230 nan 0.000 0.433 344 D N -0.743 119.694 120.400 0.061 0.000 2.117 344 D HA -0.228 4.425 4.640 0.022 0.000 0.197 344 D C 1.832 178.332 176.300 0.333 0.000 0.987 344 D CA 1.555 55.659 54.000 0.173 0.000 0.829 344 D CB -0.239 40.704 40.800 0.239 0.000 0.961 344 D HN 0.552 nan 8.370 nan 0.000 0.460 345 D N -0.924 119.652 120.400 0.293 0.000 2.104 345 D HA -0.182 4.471 4.640 0.022 0.000 0.194 345 D C 1.561 178.238 176.300 0.628 0.000 0.994 345 D CA 0.971 55.227 54.000 0.425 0.000 0.830 345 D CB 0.003 41.064 40.800 0.435 0.000 0.959 345 D HN 0.017 nan 8.370 nan 0.000 0.452 346 F N 0.510 120.692 119.950 0.386 0.000 2.146 346 F HA -0.046 4.496 4.527 0.025 0.000 0.298 346 F C 2.735 178.715 175.800 0.301 0.000 1.096 346 F CA 1.062 59.297 58.000 0.391 0.000 1.275 346 F CB -1.367 37.801 39.000 0.281 0.000 1.008 346 F HN 0.028 nan 8.300 nan 0.000 0.480 347 T N -1.149 113.644 114.554 0.397 0.000 2.896 347 T HA -0.152 4.211 4.350 0.022 0.000 0.263 347 T C 1.782 176.606 174.700 0.206 0.000 1.050 347 T CA 0.924 63.171 62.100 0.246 0.000 1.140 347 T CB -0.513 68.424 68.868 0.114 0.000 0.877 347 T HN 0.101 nan 8.240 nan 0.000 0.457 348 Y N 0.516 120.961 120.300 0.242 0.000 2.293 348 Y HA 0.020 4.582 4.550 0.021 0.000 0.291 348 Y C 2.017 177.986 175.900 0.114 0.000 1.137 348 Y CA 0.214 58.407 58.100 0.156 0.000 1.202 348 Y CB -0.655 37.876 38.460 0.119 0.000 0.990 348 Y HN 0.237 nan 8.280 nan 0.000 0.537 349 F N 0.197 120.228 119.950 0.136 0.000 2.095 349 F HA -0.138 4.400 4.527 0.019 0.000 0.298 349 F C 2.344 178.134 175.800 -0.017 0.000 1.104 349 F CA 1.912 59.839 58.000 -0.122 0.000 1.232 349 F CB -0.777 37.811 39.000 -0.687 0.000 0.987 349 F HN -0.031 nan 8.300 nan 0.000 0.475 350 G N 0.518 109.367 108.800 0.081 0.000 2.408 350 G HA2 -0.260 3.713 3.960 0.022 0.000 0.217 350 G HA3 -0.260 3.713 3.960 0.022 0.000 0.217 350 G C 1.790 176.768 174.900 0.130 0.000 1.150 350 G CA 0.759 45.895 45.100 0.060 0.000 0.776 350 G HN 0.296 nan 8.290 nan 0.000 0.542 351 K N 0.900 121.422 120.400 0.205 0.000 2.009 351 K HA -0.155 4.178 4.320 0.022 0.000 0.210 351 K C 2.371 178.994 176.600 0.039 0.000 1.049 351 K CA 1.950 58.336 56.287 0.165 0.000 0.929 351 K CB -0.255 32.265 32.500 0.033 0.000 0.714 351 K HN 0.320 nan 8.250 nan 0.000 0.440 352 E N 0.017 120.210 120.200 -0.011 0.000 2.110 352 E HA -0.213 4.150 4.350 0.022 0.000 0.193 352 E C 2.021 178.559 176.600 -0.103 0.000 0.988 352 E CA 1.321 57.682 56.400 -0.064 0.000 0.804 352 E CB -0.678 28.981 29.700 -0.069 0.000 0.745 352 E HN 0.391 nan 8.360 nan 0.000 0.458 353 Y N 0.246 120.334 120.300 -0.354 0.000 2.069 353 Y HA -0.283 4.274 4.550 0.012 0.000 0.278 353 Y C 2.109 177.947 175.900 -0.103 0.000 1.175 353 Y CA 2.311 60.225 58.100 -0.309 0.000 1.134 353 Y CB -0.523 37.667 38.460 -0.449 0.000 0.965 353 Y HN 0.004 nan 8.280 nan 0.000 0.498 354 V N 0.357 120.294 119.914 0.038 0.000 2.307 354 V HA -0.275 3.858 4.120 0.022 0.000 0.245 354 V C 2.326 178.432 176.094 0.019 0.000 1.045 354 V CA 2.189 64.542 62.300 0.089 0.000 1.024 354 V CB -0.704 31.253 31.823 0.224 0.000 0.651 354 V HN 0.476 nan 8.190 nan 0.000 0.449 355 E N 0.189 120.384 120.200 -0.008 0.000 2.085 355 E HA -0.318 4.045 4.350 0.022 0.000 0.194 355 E C 1.900 178.458 176.600 -0.071 0.000 0.994 355 E CA 1.872 58.255 56.400 -0.028 0.000 0.801 355 E CB -0.128 29.549 29.700 -0.040 0.000 0.743 355 E HN 0.754 nan 8.360 nan 0.000 0.453 356 D N -0.216 120.108 120.400 -0.126 0.000 2.123 356 D HA -0.153 4.500 4.640 0.022 0.000 0.200 356 D C 2.021 178.185 176.300 -0.227 0.000 0.976 356 D CA 1.263 55.170 54.000 -0.154 0.000 0.831 356 D CB 0.028 40.733 40.800 -0.159 0.000 0.974 356 D HN 0.040 nan 8.370 nan 0.000 0.469 357 K N -1.730 118.445 120.400 -0.375 0.000 2.044 357 K HA -0.103 4.231 4.320 0.022 0.000 0.204 357 K C 1.197 177.488 176.600 -0.516 0.000 1.049 357 K CA 1.103 57.045 56.287 -0.576 0.000 0.945 357 K CB 0.002 31.912 32.500 -0.984 0.000 0.724 357 K HN 0.232 nan 8.250 nan 0.000 0.440 358 Y N -0.993 119.220 120.300 -0.145 0.000 2.607 358 Y HA 0.317 4.885 4.550 0.030 0.000 0.276 358 Y C 0.552 176.415 175.900 -0.061 0.000 1.117 358 Y CA 0.300 58.349 58.100 -0.084 0.000 1.273 358 Y CB 1.065 39.488 38.460 -0.062 0.000 1.282 358 Y HN 0.222 nan 8.280 nan 0.000 0.514 359 G N 1.271 110.125 108.800 0.090 0.000 2.879 359 G HA2 -0.198 3.775 3.960 0.022 0.000 0.686 359 G HA3 -0.198 3.775 3.960 0.022 0.000 0.686 359 G C -0.707 174.232 174.900 0.065 0.000 1.115 359 G CA -0.790 44.340 45.100 0.050 0.000 0.770 359 G HN 0.196 nan 8.290 nan 0.000 0.601 360 L N 1.344 122.583 121.223 0.027 0.000 2.540 360 L HA 0.169 4.522 4.340 0.022 0.000 0.276 360 L C 1.933 178.815 176.870 0.020 0.000 1.212 360 L CA 0.555 55.409 54.840 0.023 0.000 0.893 360 L CB 0.166 42.209 42.059 -0.026 0.000 1.138 360 L HN 1.328 nan 8.230 nan 0.000 0.491 361 C N 1.109 120.422 119.300 0.023 0.000 4.473 361 C HA -0.126 4.348 4.460 0.022 0.000 0.272 361 C C 1.473 176.455 174.990 -0.013 0.000 1.434 361 C CA 0.496 59.513 59.018 -0.002 0.000 1.761 361 C CB -2.029 25.708 27.740 -0.005 0.000 1.564 361 C HN 0.903 nan 8.230 nan 0.000 0.725 362 E N -0.019 120.181 120.200 -0.001 0.000 2.498 362 E HA 0.405 4.769 4.350 0.022 0.000 0.203 362 E C 0.960 177.553 176.600 -0.012 0.000 1.013 362 E CA 0.773 57.178 56.400 0.009 0.000 0.927 362 E CB 0.377 30.103 29.700 0.044 0.000 1.012 362 E HN 0.817 nan 8.360 nan 0.000 0.482 363 A N 2.811 125.549 122.820 -0.137 0.000 2.386 363 A HA 0.385 4.718 4.320 0.022 0.000 0.248 363 A C -2.265 175.197 177.584 -0.203 0.000 1.082 363 A CA -1.064 50.758 52.037 -0.358 0.000 0.789 363 A CB -0.173 18.247 19.000 -0.965 0.000 1.025 363 A HN -0.154 nan 8.150 nan 0.000 0.490 364 P HA 0.033 nan 4.420 nan 0.000 0.266 364 P C -0.429 176.811 177.300 -0.100 0.000 1.195 364 P CA 0.110 63.162 63.100 -0.079 0.000 0.768 364 P CB 0.283 31.961 31.700 -0.037 0.000 0.838 365 N N 3.182 121.842 118.700 -0.067 0.000 2.895 365 N HA 0.073 4.827 4.740 0.022 0.000 0.277 365 N C -0.698 174.782 175.510 -0.051 0.000 1.185 365 N CA -0.171 52.847 53.050 -0.053 0.000 1.106 365 N CB -1.029 37.437 38.487 -0.035 0.000 1.422 365 N HN 0.378 nan 8.380 nan 0.000 0.521 366 N N 0.972 119.642 118.700 -0.050 0.000 3.039 366 N HA 0.153 4.906 4.740 0.022 0.000 0.257 366 N C 0.245 175.741 175.510 -0.023 0.000 1.497 366 N CA -0.745 52.271 53.050 -0.057 0.000 0.861 366 N CB 0.216 38.670 38.487 -0.054 0.000 1.479 366 N HN -0.025 nan 8.380 nan 0.000 0.547 367 M N 0.274 119.857 119.600 -0.029 0.000 2.279 367 M HA 0.033 4.526 4.480 0.022 0.000 0.264 367 M C 0.322 176.645 176.300 0.039 0.000 1.062 367 M CA 1.645 56.959 55.300 0.022 0.000 1.099 367 M CB -0.794 31.815 32.600 0.015 0.000 1.394 367 M HN 0.571 nan 8.290 nan 0.000 0.426 368 D N -0.742 119.675 120.400 0.028 0.000 2.104 368 D HA -0.155 4.498 4.640 0.022 0.000 0.194 368 D C 1.841 178.181 176.300 0.067 0.000 0.994 368 D CA 2.072 56.103 54.000 0.053 0.000 0.830 368 D CB -0.592 40.241 40.800 0.054 0.000 0.959 368 D HN 0.370 nan 8.370 nan 0.000 0.452 369 T N 0.747 115.314 114.554 0.022 0.000 2.746 369 T HA -0.084 4.280 4.350 0.022 0.000 0.267 369 T C 2.292 177.012 174.700 0.032 0.000 1.039 369 T CA 0.692 62.782 62.100 -0.017 0.000 1.142 369 T CB -0.322 68.442 68.868 -0.173 0.000 0.866 369 T HN -0.035 nan 8.240 nan 0.000 0.444 370 V N 1.757 121.694 119.914 0.038 0.000 2.252 370 V HA -0.186 3.947 4.120 0.022 0.000 0.249 370 V C 2.513 178.645 176.094 0.063 0.000 1.056 370 V CA 1.706 64.043 62.300 0.061 0.000 1.022 370 V CB -0.776 31.107 31.823 0.100 0.000 0.641 370 V HN 0.437 nan 8.190 nan 0.000 0.445 371 L N -0.142 121.124 121.223 0.072 0.000 2.046 371 L HA -0.202 4.151 4.340 0.022 0.000 0.208 371 L C 2.492 179.402 176.870 0.066 0.000 1.077 371 L CA 2.012 56.889 54.840 0.063 0.000 0.747 371 L CB -0.727 41.375 42.059 0.072 0.000 0.896 371 L HN 0.483 nan 8.230 nan 0.000 0.432 372 D N 0.058 120.529 120.400 0.118 0.000 2.075 372 D HA -0.148 4.505 4.640 0.022 0.000 0.196 372 D C 2.128 178.533 176.300 0.175 0.000 0.985 372 D CA 1.640 55.749 54.000 0.180 0.000 0.834 372 D CB 0.268 41.243 40.800 0.292 0.000 0.987 372 D HN 0.093 nan 8.370 nan 0.000 0.452 373 V N 1.507 121.547 119.914 0.211 0.000 2.323 373 V HA -0.150 3.983 4.120 0.022 0.000 0.244 373 V C 2.702 178.821 176.094 0.042 0.000 1.041 373 V CA 1.752 64.180 62.300 0.214 0.000 1.025 373 V CB -0.780 31.179 31.823 0.226 0.000 0.656 373 V HN 0.286 nan 8.190 nan 0.000 0.451 374 A N -0.317 122.508 122.820 0.008 0.000 1.930 374 A HA -0.186 4.147 4.320 0.022 0.000 0.217 374 A C 2.376 179.862 177.584 -0.164 0.000 1.175 374 A CA 2.321 54.324 52.037 -0.056 0.000 0.627 374 A CB -0.838 18.135 19.000 -0.045 0.000 0.815 374 A HN 0.504 nan 8.150 nan 0.000 0.443 375 T N -0.464 113.968 114.554 -0.202 0.000 2.737 375 T HA -0.120 4.244 4.350 0.022 0.000 0.265 375 T C 1.910 176.294 174.700 -0.526 0.000 1.038 375 T CA 1.668 63.482 62.100 -0.477 0.000 1.144 375 T CB -0.209 68.457 68.868 -0.337 0.000 0.866 375 T HN 0.626 nan 8.240 nan 0.000 0.434 376 E N 0.882 120.934 120.200 -0.246 0.000 2.085 376 E HA -0.106 4.257 4.350 0.022 0.000 0.194 376 E C 2.050 178.614 176.600 -0.060 0.000 0.994 376 E CA 1.036 57.332 56.400 -0.173 0.000 0.801 376 E CB -0.484 28.934 29.700 -0.470 0.000 0.743 376 E HN 0.269 nan 8.360 nan 0.000 0.453 377 V N 0.038 119.922 119.914 -0.049 0.000 2.548 377 V HA -0.184 3.949 4.120 0.022 0.000 0.249 377 V C 2.239 178.317 176.094 -0.027 0.000 1.055 377 V CA 1.955 64.313 62.300 0.097 0.000 1.065 377 V CB -0.662 31.230 31.823 0.115 0.000 0.681 377 V HN 0.336 nan 8.190 nan 0.000 0.462 378 T N 0.475 114.938 114.554 -0.152 0.000 2.708 378 T HA -0.142 4.221 4.350 0.022 0.000 0.266 378 T C 1.704 176.332 174.700 -0.119 0.000 1.037 378 T CA 1.657 63.638 62.100 -0.198 0.000 1.146 378 T CB -0.346 68.342 68.868 -0.300 0.000 0.865 378 T HN 0.324 nan 8.240 nan 0.000 0.435 379 F N 0.232 120.101 119.950 -0.135 0.000 2.186 379 F HA 0.102 4.637 4.527 0.014 0.000 0.299 379 F C 2.130 177.789 175.800 -0.235 0.000 1.090 379 F CA -0.432 57.468 58.000 -0.168 0.000 1.307 379 F CB -1.260 37.679 39.000 -0.102 0.000 1.019 379 F HN 0.189 nan 8.300 nan 0.000 0.489 380 Y N 0.744 120.917 120.300 -0.212 0.000 2.145 380 Y HA -0.119 4.443 4.550 0.021 0.000 0.286 380 Y C 2.534 178.061 175.900 -0.622 0.000 1.145 380 Y CA 1.773 59.556 58.100 -0.530 0.000 1.148 380 Y CB -0.848 36.995 38.460 -1.029 0.000 0.981 380 Y HN 0.009 nan 8.280 nan 0.000 0.507 381 G N 0.165 108.553 108.800 -0.686 0.000 2.402 381 G HA2 -0.215 3.758 3.960 0.022 0.000 0.216 381 G HA3 -0.215 3.758 3.960 0.022 0.000 0.216 381 G C 1.664 176.073 174.900 -0.819 0.000 1.162 381 G CA 1.130 45.367 45.100 -1.437 0.000 0.777 381 G HN 0.451 nan 8.290 nan 0.000 0.539 382 L N 0.234 121.232 121.223 -0.375 0.000 2.083 382 L HA -0.029 4.325 4.340 0.022 0.000 0.209 382 L C 2.718 179.525 176.870 -0.106 0.000 1.083 382 L CA 1.472 56.235 54.840 -0.127 0.000 0.752 382 L CB -0.334 41.584 42.059 -0.235 0.000 0.899 382 L HN 0.370 nan 8.230 nan 0.000 0.433 383 E N -0.312 119.740 120.200 -0.246 0.000 2.204 383 E HA -0.222 4.141 4.350 0.022 0.000 0.194 383 E C 2.119 178.582 176.600 -0.228 0.000 0.989 383 E CA 0.674 56.949 56.400 -0.208 0.000 0.824 383 E CB 0.221 29.777 29.700 -0.241 0.000 0.756 383 E HN 0.424 nan 8.360 nan 0.000 0.477 384 Q N -0.352 119.217 119.800 -0.384 0.000 2.119 384 Q HA -0.169 4.184 4.340 0.022 0.000 0.201 384 Q C 1.831 177.779 176.000 -0.086 0.000 0.972 384 Q CA 1.277 56.972 55.803 -0.179 0.000 0.847 384 Q CB -0.604 28.000 28.738 -0.224 0.000 0.903 384 Q HN 0.494 nan 8.270 nan 0.000 0.433 385 Y N 1.417 121.711 120.300 -0.009 0.000 2.274 385 Y HA -0.121 4.442 4.550 0.022 0.000 0.290 385 Y C 2.123 178.018 175.900 -0.008 0.000 1.145 385 Y CA 1.008 59.114 58.100 0.011 0.000 1.203 385 Y CB -0.153 38.319 38.460 0.019 0.000 0.984 385 Y HN 0.253 nan 8.280 nan 0.000 0.533 386 E N -0.342 119.922 120.200 0.106 0.000 2.216 386 E HA -0.170 4.193 4.350 0.022 0.000 0.192 386 E C 1.863 178.429 176.600 -0.056 0.000 0.988 386 E CA 0.896 57.307 56.400 0.019 0.000 0.834 386 E CB 0.019 29.727 29.700 0.014 0.000 0.772 386 E HN 0.530 nan 8.360 nan 0.000 0.479 387 E N -0.205 119.927 120.200 -0.114 0.000 2.230 387 E HA -0.064 4.299 4.350 0.022 0.000 0.192 387 E C -0.421 175.892 176.600 -0.478 0.000 0.987 387 E CA 0.410 56.620 56.400 -0.318 0.000 0.841 387 E CB 0.389 29.837 29.700 -0.421 0.000 0.783 387 E HN 0.143 nan 8.360 nan 0.000 0.481 388 Y N -0.403 119.905 120.300 0.014 0.000 2.646 388 Y HA 0.290 4.853 4.550 0.021 0.000 0.334 388 Y C -2.089 173.822 175.900 0.019 0.000 1.004 388 Y CA -2.606 55.517 58.100 0.038 0.000 1.301 388 Y CB 1.610 40.114 38.460 0.073 0.000 1.093 388 Y HN 0.045 nan 8.280 nan 0.000 0.530 389 P HA -0.244 nan 4.420 nan 0.000 0.216 389 P C 1.421 178.738 177.300 0.028 0.000 1.150 389 P CA 2.158 65.279 63.100 0.036 0.000 0.843 389 P CB 0.430 32.114 31.700 -0.027 0.000 0.787 390 A N -0.952 121.894 122.820 0.042 0.000 1.972 390 A HA -0.174 4.159 4.320 0.022 0.000 0.219 390 A C 2.100 179.806 177.584 0.205 0.000 1.169 390 A CA 1.312 53.354 52.037 0.008 0.000 0.635 390 A CB -1.570 17.522 19.000 0.154 0.000 0.810 390 A HN 0.157 nan 8.150 nan 0.000 0.446 391 L N -0.955 120.374 121.223 0.177 0.000 2.056 391 L HA -0.051 4.302 4.340 0.022 0.000 0.207 391 L C 2.196 179.219 176.870 0.255 0.000 1.078 391 L CA 1.724 56.627 54.840 0.104 0.000 0.749 391 L CB -0.480 41.490 42.059 -0.147 0.000 0.901 391 L HN 0.353 nan 8.230 nan 0.000 0.433 392 L N -0.333 121.049 121.223 0.265 0.000 2.093 392 L HA -0.174 4.179 4.340 0.022 0.000 0.208 392 L C 2.405 179.360 176.870 0.142 0.000 1.085 392 L CA 1.958 56.916 54.840 0.196 0.000 0.755 392 L CB -0.680 41.446 42.059 0.112 0.000 0.904 392 L HN 0.524 nan 8.230 nan 0.000 0.435 393 E N -1.289 118.995 120.200 0.141 0.000 2.285 393 E HA -0.217 4.146 4.350 0.022 0.000 0.194 393 E C 1.670 178.478 176.600 0.346 0.000 0.997 393 E CA 0.816 57.318 56.400 0.169 0.000 0.845 393 E CB 0.008 29.707 29.700 -0.001 0.000 0.782 393 E HN 0.608 nan 8.360 nan 0.000 0.491 394 D N 0.635 121.253 120.400 0.364 0.000 2.085 394 D HA -0.127 4.526 4.640 0.022 0.000 0.199 394 D C 0.471 176.957 176.300 0.310 0.000 0.981 394 D CA 1.054 55.282 54.000 0.380 0.000 0.834 394 D CB 0.086 41.069 40.800 0.306 0.000 0.992 394 D HN 0.111 nan 8.370 nan 0.000 0.457 395 Q N 0.517 120.427 119.800 0.183 0.000 3.006 395 Q HA 0.150 4.503 4.340 0.022 0.000 0.260 395 Q C 0.345 176.289 176.000 -0.093 0.000 1.356 395 Q CA -0.417 55.377 55.803 -0.015 0.000 1.070 395 Q CB -0.022 28.744 28.738 0.046 0.000 1.507 395 Q HN 0.463 nan 8.270 nan 0.000 0.568 396 F N -1.115 118.840 119.950 0.009 0.000 2.325 396 F HA 0.170 4.711 4.527 0.022 0.000 0.299 396 F C 1.081 176.847 175.800 -0.057 0.000 1.090 396 F CA -0.341 57.645 58.000 -0.023 0.000 1.392 396 F CB -0.248 38.755 39.000 0.005 0.000 1.053 396 F HN 0.124 nan 8.300 nan 0.000 0.521 397 G N 0.287 108.875 108.800 -0.354 0.000 2.372 397 G HA2 0.401 4.375 3.960 0.022 0.000 0.283 397 G HA3 0.401 4.375 3.960 0.022 0.000 0.283 397 G C 0.999 175.811 174.900 -0.146 0.000 1.177 397 G CA -0.221 44.784 45.100 -0.159 0.000 0.842 397 G HN 0.401 nan 8.290 nan 0.000 0.503 398 G N 1.574 110.322 108.800 -0.087 0.000 2.442 398 G HA2 -0.112 3.862 3.960 0.022 0.000 0.219 398 G HA3 -0.112 3.862 3.960 0.022 0.000 0.219 398 G C 1.303 176.037 174.900 -0.277 0.000 1.141 398 G CA 1.106 46.116 45.100 -0.150 0.000 0.763 398 G HN 0.672 nan 8.290 nan 0.000 0.554 402 A N 1.784 124.548 122.820 -0.093 0.000 1.883 402 A HA -0.024 4.309 4.320 0.022 0.000 0.217 402 A C 2.243 179.682 177.584 -0.242 0.000 1.186 402 A CA 2.215 54.106 52.037 -0.242 0.000 0.624 402 A CB -0.598 17.998 19.000 -0.673 0.000 0.822 402 A HN 0.382 nan 8.150 nan 0.000 0.444 403 A N -0.753 121.965 122.820 -0.170 0.000 1.902 403 A HA 0.029 4.362 4.320 0.022 0.000 0.217 403 A C 2.253 179.853 177.584 0.025 0.000 1.181 403 A CA 1.779 53.786 52.037 -0.051 0.000 0.623 403 A CB -0.897 18.152 19.000 0.080 0.000 0.818 403 A HN 0.381 nan 8.150 nan 0.000 0.443 404 V N -0.526 119.431 119.914 0.072 0.000 2.270 404 V HA -0.215 3.918 4.120 0.022 0.000 0.245 404 V C 2.577 178.813 176.094 0.236 0.000 1.043 404 V CA 1.991 64.379 62.300 0.148 0.000 1.014 404 V CB -0.747 31.165 31.823 0.148 0.000 0.645 404 V HN 0.360 nan 8.190 nan 0.000 0.447 405 V N 0.246 120.314 119.914 0.257 0.000 2.343 405 V HA -0.231 3.902 4.120 0.022 0.000 0.247 405 V C 2.622 178.727 176.094 0.018 0.000 1.051 405 V CA 2.073 64.498 62.300 0.208 0.000 1.036 405 V CB -0.968 30.927 31.823 0.120 0.000 0.654 405 V HN 0.562 nan 8.190 nan 0.000 0.451 406 A N -0.453 122.246 122.820 -0.201 0.000 2.014 406 A HA 0.094 4.427 4.320 0.022 0.000 0.218 406 A C 2.367 179.924 177.584 -0.045 0.000 1.163 406 A CA 1.507 53.291 52.037 -0.423 0.000 0.652 406 A CB -0.507 17.689 19.000 -1.340 0.000 0.808 406 A HN 0.530 nan 8.150 nan 0.000 0.449 407 A N 0.207 123.132 122.820 0.174 0.000 1.877 407 A HA 0.158 4.491 4.320 0.022 0.000 0.216 407 A C 2.493 180.168 177.584 0.151 0.000 1.186 407 A CA 1.974 54.204 52.037 0.322 0.000 0.620 407 A CB -1.002 18.152 19.000 0.257 0.000 0.822 407 A HN 0.986 nan 8.150 nan 0.000 0.443 408 A N -0.144 122.771 122.820 0.159 0.000 1.902 408 A HA 0.147 4.480 4.320 0.022 0.000 0.217 408 A C 2.511 180.143 177.584 0.079 0.000 1.181 408 A CA 2.182 54.313 52.037 0.157 0.000 0.623 408 A CB -1.025 18.165 19.000 0.315 0.000 0.818 408 A HN 1.054 nan 8.150 nan 0.000 0.443 409 A N -0.580 122.274 122.820 0.057 0.000 1.902 409 A HA 0.145 4.478 4.320 0.022 0.000 0.217 409 A C 2.404 179.981 177.584 -0.011 0.000 1.181 409 A CA 1.942 53.983 52.037 0.006 0.000 0.623 409 A CB -1.333 17.636 19.000 -0.052 0.000 0.818 409 A HN 0.697 nan 8.150 nan 0.000 0.443 410 G N -1.027 107.788 108.800 0.025 0.000 2.404 410 G HA2 -0.213 3.760 3.960 0.022 0.000 0.215 410 G HA3 -0.213 3.760 3.960 0.022 0.000 0.215 410 G C 1.603 176.424 174.900 -0.131 0.000 1.174 410 G CA 1.240 46.347 45.100 0.013 0.000 0.780 410 G HN 0.507 nan 8.290 nan 0.000 0.537 411 C N 0.805 119.982 119.300 -0.205 0.000 2.432 411 C HA -0.023 4.450 4.460 0.022 0.000 0.277 411 C C 3.419 177.888 174.990 -0.868 0.000 1.249 411 C CA 1.383 60.076 59.018 -0.541 0.000 1.725 411 C CB -0.851 26.579 27.740 -0.517 0.000 2.028 411 C HN 0.407 nan 8.230 nan 0.000 0.477 412 S N 0.284 115.723 115.700 -0.436 0.000 2.382 412 S HA -0.166 4.317 4.470 0.022 0.000 0.228 412 S C 1.867 176.428 174.600 -0.065 0.000 1.027 412 S CA 1.952 60.058 58.200 -0.158 0.000 0.991 412 S CB -0.566 62.681 63.200 0.079 0.000 0.823 412 S HN 0.716 nan 8.310 nan 0.000 0.469 413 T N 2.402 116.909 114.554 -0.078 0.000 2.684 413 T HA -0.072 4.291 4.350 0.022 0.000 0.267 413 T C 2.127 176.787 174.700 -0.067 0.000 1.036 413 T CA 1.316 63.394 62.100 -0.037 0.000 1.148 413 T CB -0.490 68.363 68.868 -0.025 0.000 0.863 413 T HN 0.479 nan 8.240 nan 0.000 0.436 414 A N 0.915 123.650 122.820 -0.142 0.000 1.969 414 A HA 0.031 4.364 4.320 0.022 0.000 0.218 414 A C 1.853 179.429 177.584 -0.012 0.000 1.169 414 A CA 1.065 53.030 52.037 -0.120 0.000 0.635 414 A CB -0.844 18.046 19.000 -0.183 0.000 0.810 414 A HN 0.433 nan 8.150 nan 0.000 0.445 415 F N 0.177 120.109 119.950 -0.029 0.000 2.269 415 F HA -0.044 4.494 4.527 0.020 0.000 0.301 415 F C 2.637 178.415 175.800 -0.037 0.000 1.082 415 F CA 0.217 58.200 58.000 -0.027 0.000 1.360 415 F CB -0.976 38.023 39.000 -0.003 0.000 1.041 415 F HN 0.288 nan 8.300 nan 0.000 0.512 416 A N -0.181 122.717 122.820 0.129 0.000 1.874 416 A HA -0.115 4.219 4.320 0.022 0.000 0.214 416 A C 2.252 179.780 177.584 -0.093 0.000 1.189 416 A CA 2.024 54.049 52.037 -0.020 0.000 0.615 416 A CB -1.188 17.738 19.000 -0.124 0.000 0.830 416 A HN 0.376 nan 8.150 nan 0.000 0.443 417 T N -4.527 109.978 114.554 -0.082 0.000 3.054 417 T HA 0.367 4.730 4.350 0.022 0.000 0.259 417 T C 1.485 176.149 174.700 -0.060 0.000 1.092 417 T CA 1.191 63.238 62.100 -0.088 0.000 1.121 417 T CB -0.100 68.725 68.868 -0.072 0.000 0.912 417 T HN 1.707 nan 8.240 nan 0.000 0.489 418 G N 1.623 110.396 108.800 -0.045 0.000 2.168 418 G HA2 -0.255 3.718 3.960 0.022 0.000 0.257 418 G HA3 -0.255 3.718 3.960 0.022 0.000 0.257 418 G C -0.090 174.738 174.900 -0.120 0.000 0.997 418 G CA 0.235 45.291 45.100 -0.073 0.000 0.708 418 G HN 0.833 nan 8.290 nan 0.000 0.520 419 N N -0.590 118.051 118.700 -0.099 0.000 2.397 419 N HA 0.558 5.311 4.740 0.022 0.000 0.291 419 N C 1.043 176.504 175.510 -0.082 0.000 1.065 419 N CA 0.295 53.292 53.050 -0.088 0.000 0.884 419 N CB 1.508 39.977 38.487 -0.030 0.000 1.551 419 N HN 0.347 nan 8.380 nan 0.000 0.487 420 A N 2.802 125.563 122.820 -0.098 0.000 2.067 420 A HA -0.147 4.187 4.320 0.022 0.000 0.219 420 A C 1.786 179.314 177.584 -0.095 0.000 1.158 420 A CA 1.363 53.343 52.037 -0.095 0.000 0.661 420 A CB -0.128 18.831 19.000 -0.068 0.000 0.801 420 A HN 0.725 nan 8.150 nan 0.000 0.452 421 Q N -0.157 119.611 119.800 -0.054 0.000 2.083 421 Q HA -0.102 4.251 4.340 0.022 0.000 0.198 421 Q C 2.229 178.207 176.000 -0.036 0.000 0.969 421 Q CA 2.360 58.115 55.803 -0.080 0.000 0.838 421 Q CB -0.498 28.258 28.738 0.030 0.000 0.900 421 Q HN 0.767 nan 8.270 nan 0.000 0.436 422 T N -3.155 111.460 114.554 0.103 0.000 2.904 422 T HA -0.007 4.356 4.350 0.022 0.000 0.267 422 T C 1.878 176.598 174.700 0.033 0.000 1.059 422 T CA 0.851 63.044 62.100 0.155 0.000 1.137 422 T CB -0.799 68.150 68.868 0.134 0.000 0.879 422 T HN 0.335 nan 8.240 nan 0.000 0.467 423 G N 1.911 110.690 108.800 -0.035 0.000 2.476 423 G HA2 -0.190 3.783 3.960 0.022 0.000 0.218 423 G HA3 -0.190 3.783 3.960 0.022 0.000 0.218 423 G C 1.431 176.286 174.900 -0.075 0.000 1.164 423 G CA 1.120 46.176 45.100 -0.073 0.000 0.768 423 G HN 0.475 nan 8.290 nan 0.000 0.560 424 L N 0.807 121.949 121.223 -0.136 0.000 2.093 424 L HA 0.067 4.420 4.340 0.022 0.000 0.208 424 L C 2.879 179.685 176.870 -0.106 0.000 1.085 424 L CA 2.373 57.085 54.840 -0.214 0.000 0.755 424 L CB -0.730 41.149 42.059 -0.300 0.000 0.904 424 L HN 0.220 nan 8.230 nan 0.000 0.435 425 S N -0.665 115.014 115.700 -0.034 0.000 2.383 425 S HA -0.140 4.343 4.470 0.022 0.000 0.229 425 S C 1.986 176.650 174.600 0.107 0.000 1.030 425 S CA 1.270 59.538 58.200 0.113 0.000 1.002 425 S CB -0.747 62.571 63.200 0.198 0.000 0.829 425 S HN 0.680 nan 8.310 nan 0.000 0.467 426 G N 0.584 109.417 108.800 0.055 0.000 2.422 426 G HA2 -0.194 3.779 3.960 0.022 0.000 0.218 426 G HA3 -0.194 3.779 3.960 0.022 0.000 0.218 426 G C 1.297 176.192 174.900 -0.010 0.000 1.140 426 G CA 0.711 45.825 45.100 0.023 0.000 0.775 426 G HN 0.651 nan 8.290 nan 0.000 0.545 427 W N 1.018 122.176 121.300 -0.236 0.000 2.318 427 W HA -0.182 4.491 4.660 0.022 0.000 0.313 427 W C 1.955 178.253 176.519 -0.369 0.000 1.221 427 W CA 1.476 58.626 57.345 -0.324 0.000 1.266 427 W CB -0.631 28.572 29.460 -0.428 0.000 1.150 427 W HN 0.344 nan 8.180 nan 0.000 0.496 428 Y N 0.594 120.938 120.300 0.074 0.000 2.200 428 Y HA -0.213 4.349 4.550 0.021 0.000 0.290 428 Y C 2.562 178.046 175.900 -0.693 0.000 1.137 428 Y CA 1.611 59.537 58.100 -0.290 0.000 1.163 428 Y CB -1.651 36.720 38.460 -0.148 0.000 0.988 428 Y HN -0.070 nan 8.280 nan 0.000 0.518 429 L N -0.656 120.456 121.223 -0.184 0.000 2.083 429 L HA -0.181 4.173 4.340 0.022 0.000 0.209 429 L C 2.550 179.321 176.870 -0.165 0.000 1.083 429 L CA 1.931 56.709 54.840 -0.104 0.000 0.752 429 L CB -1.126 40.950 42.059 0.029 0.000 0.899 429 L HN 0.203 nan 8.230 nan 0.000 0.433 430 S N -1.044 114.521 115.700 -0.226 0.000 2.359 430 S HA -0.227 4.256 4.470 0.022 0.000 0.224 430 S C 2.062 176.538 174.600 -0.206 0.000 1.035 430 S CA 1.776 59.838 58.200 -0.230 0.000 1.018 430 S CB -0.192 62.837 63.200 -0.285 0.000 0.876 430 S HN 0.472 nan 8.310 nan 0.000 0.448 431 M N 0.158 119.547 119.600 -0.352 0.000 2.108 431 M HA -0.073 4.421 4.480 0.022 0.000 0.261 431 M C 1.973 178.251 176.300 -0.037 0.000 1.066 431 M CA 1.503 56.649 55.300 -0.255 0.000 1.107 431 M CB -1.695 30.731 32.600 -0.290 0.000 1.356 431 M HN 0.436 nan 8.290 nan 0.000 0.406 432 Y N 0.336 120.648 120.300 0.020 0.000 2.220 432 Y HA -0.037 4.525 4.550 0.020 0.000 0.291 432 Y C 2.450 178.373 175.900 0.039 0.000 1.129 432 Y CA 0.608 58.730 58.100 0.037 0.000 1.161 432 Y CB -1.382 37.108 38.460 0.050 0.000 0.997 432 Y HN 0.139 nan 8.280 nan 0.000 0.522 433 L N -1.039 120.290 121.223 0.177 0.000 2.017 433 L HA -0.258 4.096 4.340 0.022 0.000 0.208 433 L C 2.498 179.457 176.870 0.147 0.000 1.073 433 L CA 1.928 56.848 54.840 0.132 0.000 0.745 433 L CB -0.777 41.287 42.059 0.008 0.000 0.894 433 L HN 0.326 nan 8.230 nan 0.000 0.432 434 H N 0.395 119.447 119.070 -0.031 0.000 2.352 434 H HA -0.243 4.326 4.556 0.022 0.000 0.299 434 H C 2.450 177.752 175.328 -0.043 0.000 1.097 434 H CA 1.827 57.825 56.048 -0.083 0.000 1.311 434 H CB 0.254 29.947 29.762 -0.115 0.000 1.377 434 H HN 0.157 nan 8.280 nan 0.000 0.504 435 K N 0.205 120.688 120.400 0.138 0.000 2.063 435 K HA -0.166 4.167 4.320 0.022 0.000 0.208 435 K C 1.930 178.593 176.600 0.105 0.000 1.048 435 K CA 1.793 58.129 56.287 0.083 0.000 0.928 435 K CB 0.154 32.702 32.500 0.080 0.000 0.713 435 K HN 0.308 nan 8.250 nan 0.000 0.442 436 E N 0.637 120.903 120.200 0.109 0.000 2.152 436 E HA -0.204 4.160 4.350 0.022 0.000 0.192 436 E C 1.970 178.616 176.600 0.076 0.000 0.983 436 E CA 1.024 57.476 56.400 0.087 0.000 0.818 436 E CB -0.127 29.626 29.700 0.088 0.000 0.758 436 E HN 0.518 nan 8.360 nan 0.000 0.467 437 Q N 0.161 119.994 119.800 0.055 0.000 2.020 437 Q HA -0.141 4.213 4.340 0.022 0.000 0.202 437 Q C 1.262 177.298 176.000 0.061 0.000 0.982 437 Q CA 1.540 57.324 55.803 -0.032 0.000 0.838 437 Q CB -0.062 28.559 28.738 -0.195 0.000 0.899 437 Q HN 0.481 nan 8.270 nan 0.000 0.423 438 H N -1.327 117.794 119.070 0.085 0.000 2.586 438 H HA 0.231 4.801 4.556 0.024 0.000 0.273 438 H C 0.160 175.514 175.328 0.044 0.000 0.997 438 H CA 0.114 56.196 56.048 0.057 0.000 1.177 438 H CB 0.827 30.634 29.762 0.075 0.000 1.471 438 H HN 0.196 nan 8.280 nan 0.000 0.538 439 S N 0.701 116.495 115.700 0.156 0.000 3.641 439 S HA -0.214 4.269 4.470 0.022 0.000 0.346 439 S C 0.035 174.673 174.600 0.063 0.000 1.074 439 S CA 1.036 59.288 58.200 0.087 0.000 1.026 439 S CB -0.940 62.295 63.200 0.058 0.000 0.908 439 S HN 0.812 nan 8.310 nan 0.000 0.479 440 R N -1.907 118.641 120.500 0.079 0.000 2.765 440 R HA 0.742 5.095 4.340 0.022 0.000 0.277 440 R C -0.638 175.639 176.300 -0.039 0.000 1.028 440 R CA -0.882 55.228 56.100 0.015 0.000 0.860 440 R CB 0.203 30.513 30.300 0.018 0.000 1.270 440 R HN 0.219 nan 8.270 nan 0.000 0.484 441 L N -0.857 120.282 121.223 -0.141 0.000 3.538 441 L HA 0.687 5.041 4.340 0.022 0.000 0.215 441 L C 0.283 176.924 176.870 -0.381 0.000 1.337 441 L CA 0.903 55.532 54.840 -0.352 0.000 1.992 441 L CB 0.605 42.517 42.059 -0.245 0.000 2.062 441 L HN 0.880 nan 8.230 nan 0.000 0.828 442 G N -1.106 107.480 108.800 -0.356 0.000 3.008 442 G HA2 0.352 4.326 3.960 0.022 0.000 0.181 442 G HA3 0.352 4.326 3.960 0.022 0.000 0.181 442 G C -0.565 174.278 174.900 -0.095 0.000 1.309 442 G CA -0.021 44.838 45.100 -0.402 0.000 1.009 442 G HN 0.459 nan 8.290 nan 0.000 0.584 443 F N -0.985 118.996 119.950 0.052 0.000 2.456 443 F HA 0.570 5.111 4.527 0.023 0.000 0.306 443 F C 0.629 176.556 175.800 0.212 0.000 1.278 443 F CA -1.649 56.439 58.000 0.145 0.000 1.264 443 F CB -0.056 39.066 39.000 0.203 0.000 1.253 443 F HN 0.430 nan 8.300 nan 0.000 0.554 447 D N 2.546 122.910 120.400 -0.061 0.000 2.587 447 D HA 0.068 4.721 4.640 0.022 0.000 0.233 447 D C 1.548 177.854 176.300 0.010 0.000 1.213 447 D CA 0.153 54.179 54.000 0.043 0.000 0.827 447 D CB 0.141 41.046 40.800 0.175 0.000 1.006 447 D HN 0.611 nan 8.370 nan 0.000 0.490 448 L N 0.850 122.038 121.223 -0.058 0.000 1.970 448 L HA -0.285 4.069 4.340 0.022 0.000 0.212 448 L C 2.633 179.504 176.870 0.002 0.000 1.071 448 L CA 1.964 56.787 54.840 -0.028 0.000 0.751 448 L CB -0.346 41.687 42.059 -0.043 0.000 0.889 448 L HN 0.071 nan 8.230 nan 0.000 0.432 449 Q N -0.692 119.102 119.800 -0.010 0.000 2.167 449 Q HA -0.234 4.119 4.340 0.022 0.000 0.202 449 Q C 1.484 177.570 176.000 0.143 0.000 0.970 449 Q CA 1.805 57.673 55.803 0.108 0.000 0.855 449 Q CB -0.757 28.112 28.738 0.217 0.000 0.911 449 Q HN 0.647 nan 8.270 nan 0.000 0.438 450 D N 1.076 121.604 120.400 0.214 0.000 2.144 450 D HA -0.139 4.514 4.640 0.022 0.000 0.199 450 D C 0.840 177.275 176.300 0.225 0.000 0.984 450 D CA 1.087 55.274 54.000 0.311 0.000 0.834 450 D CB -0.053 41.027 40.800 0.466 0.000 0.955 450 D HN 0.180 nan 8.370 nan 0.000 0.465 454 A N 1.095 123.799 122.820 -0.193 0.000 1.884 454 A HA -0.056 4.277 4.320 0.022 0.000 0.219 454 A C 2.577 180.193 177.584 0.054 0.000 1.197 454 A CA 3.302 55.397 52.037 0.097 0.000 0.637 454 A CB -1.026 18.155 19.000 0.302 0.000 0.827 454 A HN 1.089 nan 8.150 nan 0.000 0.450 455 S N -0.313 115.403 115.700 0.026 0.000 2.368 455 S HA -0.159 4.324 4.470 0.022 0.000 0.225 455 S C 1.680 176.292 174.600 0.020 0.000 1.030 455 S CA 1.583 59.806 58.200 0.039 0.000 0.999 455 S CB -0.508 62.701 63.200 0.015 0.000 0.844 455 S HN 0.625 nan 8.310 nan 0.000 0.459 456 N N 0.821 119.500 118.700 -0.035 0.000 2.461 456 N HA 0.109 4.863 4.740 0.022 0.000 0.188 456 N C 1.358 176.827 175.510 -0.068 0.000 1.134 456 N CA 0.256 53.295 53.050 -0.018 0.000 0.878 456 N CB -0.091 38.404 38.487 0.013 0.000 0.972 456 N HN 0.238 nan 8.380 nan 0.000 0.456 457 V N -0.185 119.637 119.914 -0.153 0.000 2.343 457 V HA -0.161 3.972 4.120 0.022 0.000 0.247 457 V C 1.005 176.805 176.094 -0.490 0.000 1.051 457 V CA 1.534 63.599 62.300 -0.392 0.000 1.036 457 V CB -0.391 31.015 31.823 -0.695 0.000 0.654 457 V HN 0.171 nan 8.190 nan 0.000 0.451 458 F N -0.753 119.214 119.950 0.029 0.000 2.661 458 F HA 0.376 4.916 4.527 0.022 0.000 0.306 458 F C 1.322 177.129 175.800 0.011 0.000 1.094 458 F CA -0.196 57.813 58.000 0.015 0.000 1.254 458 F CB -0.124 38.888 39.000 0.019 0.000 1.040 458 F HN -0.050 nan 8.300 nan 0.000 0.562 459 S N 1.251 117.022 115.700 0.118 0.000 2.573 459 S HA 0.161 4.644 4.470 0.022 0.000 0.277 459 S C 1.007 175.645 174.600 0.063 0.000 1.346 459 S CA -0.244 58.003 58.200 0.079 0.000 1.034 459 S CB 0.451 63.677 63.200 0.043 0.000 0.879 459 S HN 0.301 nan 8.310 nan 0.000 0.528 460 I N 0.868 121.467 120.570 0.048 0.000 4.025 460 I HA 0.443 4.626 4.170 0.022 0.000 0.336 460 I C 0.627 176.754 176.117 0.016 0.000 1.390 460 I CA -0.275 61.045 61.300 0.033 0.000 1.099 460 I CB -0.303 37.718 38.000 0.035 0.000 1.049 460 I HN 0.336 nan 8.210 nan 0.000 0.394 461 R N 1.177 121.682 120.500 0.009 0.000 2.637 461 R HA 0.424 4.777 4.340 0.022 0.000 0.269 461 R C 1.566 177.854 176.300 -0.020 0.000 1.089 461 R CA 0.245 56.341 56.100 -0.007 0.000 1.177 461 R CB 0.319 30.610 30.300 -0.014 0.000 1.091 461 R HN 0.267 nan 8.270 nan 0.000 0.540 462 G N 1.460 110.243 108.800 -0.028 0.000 2.681 462 G HA2 -0.349 3.624 3.960 0.022 0.000 0.220 462 G HA3 -0.349 3.624 3.960 0.022 0.000 0.220 462 G C 0.746 175.610 174.900 -0.059 0.000 1.210 462 G CA 1.616 46.694 45.100 -0.037 0.000 0.783 462 G HN 0.814 nan 8.290 nan 0.000 0.609 463 D N -0.416 119.929 120.400 -0.092 0.000 2.368 463 D HA 0.155 4.809 4.640 0.022 0.000 0.218 463 D C 1.467 177.633 176.300 -0.223 0.000 1.112 463 D CA 0.195 54.097 54.000 -0.162 0.000 0.834 463 D CB 0.116 40.803 40.800 -0.189 0.000 0.953 463 D HN 0.521 nan 8.370 nan 0.000 0.505 464 E N 0.043 120.181 120.200 -0.104 0.000 2.288 464 E HA 0.206 4.570 4.350 0.022 0.000 0.200 464 E C 1.128 177.792 176.600 0.107 0.000 0.880 464 E CA 0.120 56.497 56.400 -0.037 0.000 0.971 464 E CB 0.283 29.965 29.700 -0.029 0.000 0.954 464 E HN 0.208 nan 8.360 nan 0.000 0.489 465 G N 1.759 110.589 108.800 0.050 0.000 2.339 465 G HA2 0.538 4.511 3.960 0.022 0.000 0.287 465 G HA3 0.538 4.511 3.960 0.022 0.000 0.287 465 G C -0.697 174.219 174.900 0.028 0.000 1.163 465 G CA -0.088 45.036 45.100 0.040 0.000 0.872 465 G HN -0.019 nan 8.290 nan 0.000 0.464 466 L N 3.024 124.231 121.223 -0.026 0.000 2.643 466 L HA 0.244 4.597 4.340 0.022 0.000 0.257 466 L C -2.557 174.227 176.870 -0.143 0.000 0.922 466 L CA -1.632 53.160 54.840 -0.079 0.000 0.909 466 L CB 3.245 45.246 42.059 -0.096 0.000 1.424 466 L HN 0.372 nan 8.230 nan 0.000 0.422 467 P HA 0.001 nan 4.420 nan 0.000 0.266 467 P C 0.494 177.666 177.300 -0.214 0.000 1.193 467 P CA -0.231 62.786 63.100 -0.139 0.000 0.770 467 P CB 0.677 32.315 31.700 -0.102 0.000 0.836 468 L N 3.572 124.674 121.223 -0.202 0.000 2.079 468 L HA -0.221 4.132 4.340 0.022 0.000 0.210 468 L C 1.767 178.542 176.870 -0.159 0.000 1.081 468 L CA 2.073 56.787 54.840 -0.209 0.000 0.752 468 L CB -1.062 40.869 42.059 -0.214 0.000 0.896 468 L HN 0.294 nan 8.230 nan 0.000 0.433 469 E N -0.713 119.371 120.200 -0.193 0.000 2.160 469 E HA -0.201 4.162 4.350 0.022 0.000 0.195 469 E C 1.938 178.145 176.600 -0.656 0.000 0.991 469 E CA 1.326 57.554 56.400 -0.286 0.000 0.810 469 E CB -0.266 29.251 29.700 -0.304 0.000 0.742 469 E HN 0.379 nan 8.360 nan 0.000 0.466 470 L N 0.244 121.070 121.223 -0.661 0.000 2.418 470 L HA 0.061 4.414 4.340 0.022 0.000 0.218 470 L C 0.820 177.437 176.870 -0.420 0.000 1.125 470 L CA 0.698 55.144 54.840 -0.657 0.000 0.835 470 L CB -0.141 41.676 42.059 -0.403 0.000 0.953 470 L HN -0.071 nan 8.230 nan 0.000 0.454 471 R N -0.653 119.622 120.500 -0.374 0.000 2.801 471 R HA 0.461 4.814 4.340 0.022 0.000 0.273 471 R C 0.322 176.113 176.300 -0.848 0.000 1.080 471 R CA 0.597 56.444 56.100 -0.421 0.000 1.197 471 R CB 0.140 30.227 30.300 -0.354 0.000 1.109 471 R HN 0.221 nan 8.270 nan 0.000 0.535 472 G N -0.184 108.010 108.800 -1.011 0.000 2.561 472 G HA2 0.224 4.197 3.960 0.022 0.000 0.310 472 G HA3 0.224 4.197 3.960 0.022 0.000 0.310 472 G C -2.578 171.867 174.900 -0.758 0.000 1.292 472 G CA -0.786 43.332 45.100 -1.637 0.000 0.811 472 G HN 0.273 nan 8.290 nan 0.000 0.482 473 P HA 0.037 nan 4.420 nan 0.000 0.234 473 P C 0.865 178.154 177.300 -0.019 0.000 1.167 473 P CA 0.923 63.930 63.100 -0.154 0.000 0.763 473 P CB 0.256 31.764 31.700 -0.320 0.000 0.835 474 N N -1.953 116.675 118.700 -0.120 0.000 2.236 474 N HA -0.029 4.724 4.740 0.022 0.000 0.196 474 N C -0.093 175.363 175.510 -0.090 0.000 1.114 474 N CA -0.448 52.556 53.050 -0.077 0.000 0.859 474 N CB -0.394 38.016 38.487 -0.129 0.000 0.982 474 N HN -0.036 nan 8.380 nan 0.000 0.493 475 Y N 1.331 121.493 120.300 -0.229 0.000 2.620 475 Y HA 0.129 4.693 4.550 0.023 0.000 0.330 475 Y C -1.605 174.122 175.900 -0.289 0.000 1.186 475 Y CA -1.490 56.411 58.100 -0.331 0.000 1.467 475 Y CB 0.838 38.973 38.460 -0.542 0.000 1.262 475 Y HN 0.119 nan 8.280 nan 0.000 0.550 476 P HA -0.207 nan 4.420 nan 0.000 0.215 476 P C 0.553 177.676 177.300 -0.295 0.000 1.157 476 P CA 2.487 65.316 63.100 -0.450 0.000 0.874 476 P CB 0.146 31.558 31.700 -0.480 0.000 0.790 477 N N -2.129 116.333 118.700 -0.397 0.000 2.289 477 N HA -0.165 4.588 4.740 0.022 0.000 0.184 477 N C 0.869 176.509 175.510 0.217 0.000 1.016 477 N CA 0.610 53.620 53.050 -0.067 0.000 0.872 477 N CB -0.319 38.187 38.487 0.031 0.000 0.973 477 N HN 0.212 nan 8.380 nan 0.000 0.433 478 Y N 0.079 120.455 120.300 0.127 0.000 2.466 478 Y HA 0.365 4.928 4.550 0.022 0.000 0.272 478 Y C 1.802 177.744 175.900 0.070 0.000 1.169 478 Y CA -1.081 57.099 58.100 0.133 0.000 1.285 478 Y CB -0.632 38.006 38.460 0.296 0.000 1.078 478 Y HN 0.017 nan 8.280 nan 0.000 0.523 479 A N -0.657 122.266 122.820 0.171 0.000 2.168 479 A HA -0.023 4.310 4.320 0.022 0.000 0.215 479 A C 1.898 179.554 177.584 0.119 0.000 1.152 479 A CA 1.157 53.278 52.037 0.140 0.000 0.716 479 A CB -0.344 18.695 19.000 0.065 0.000 0.794 479 A HN 0.403 nan 8.150 nan 0.000 0.465 480 M N -1.594 118.053 119.600 0.078 0.000 2.740 480 M HA 0.185 4.678 4.480 0.022 0.000 0.253 480 M C -0.274 176.045 176.300 0.033 0.000 1.341 480 M CA 0.332 55.658 55.300 0.044 0.000 1.176 480 M CB 0.406 33.030 32.600 0.040 0.000 1.310 480 M HN 0.240 nan 8.290 nan 0.000 0.531 481 N N -0.238 118.470 118.700 0.013 0.000 2.361 481 N HA 0.437 5.190 4.740 0.022 0.000 0.302 481 N C -1.060 174.441 175.510 -0.015 0.000 1.074 481 N CA -0.517 52.544 53.050 0.018 0.000 0.850 481 N CB 2.901 41.411 38.487 0.040 0.000 1.228 481 N HN -0.155 nan 8.380 nan 0.000 0.491 482 V N 1.355 121.175 119.914 -0.157 0.000 3.376 482 V HA 0.337 4.471 4.120 0.022 0.000 0.303 482 V C 1.245 177.347 176.094 0.013 0.000 1.100 482 V CA 1.245 63.387 62.300 -0.264 0.000 1.126 482 V CB 0.654 31.892 31.823 -0.975 0.000 1.085 482 V HN 0.974 nan 8.190 nan 0.000 0.480 483 G N 2.826 111.618 108.800 -0.014 0.000 2.160 483 G HA2 -0.256 3.717 3.960 0.022 0.000 0.251 483 G HA3 -0.256 3.717 3.960 0.022 0.000 0.251 483 G C 0.115 174.939 174.900 -0.127 0.000 1.008 483 G CA 1.051 46.186 45.100 0.058 0.000 0.724 483 G HN 1.112 nan 8.290 nan 0.000 0.514 484 H N -2.021 116.904 119.070 -0.243 0.000 2.006 484 H HA 0.226 4.795 4.556 0.022 0.000 0.189 484 H C 2.410 177.072 175.328 -1.110 0.000 0.887 484 H CA 0.755 56.350 56.048 -0.755 0.000 0.958 484 H CB -0.319 28.935 29.762 -0.846 0.000 1.163 484 H HN 0.310 nan 8.280 nan 0.000 0.364 485 Q N 0.534 120.065 119.800 -0.448 0.000 2.084 485 Q HA -0.064 4.289 4.340 0.022 0.000 0.202 485 Q C 2.242 178.033 176.000 -0.349 0.000 0.978 485 Q CA 1.475 57.009 55.803 -0.449 0.000 0.844 485 Q CB -0.142 28.459 28.738 -0.228 0.000 0.898 485 Q HN 0.517 nan 8.270 nan 0.000 0.426 486 G N 0.526 109.329 108.800 0.005 0.000 2.421 486 G HA2 -0.228 3.745 3.960 0.022 0.000 0.217 486 G HA3 -0.228 3.745 3.960 0.022 0.000 0.217 486 G C 1.012 175.840 174.900 -0.120 0.000 1.143 486 G CA 0.592 45.761 45.100 0.116 0.000 0.784 486 G HN 0.238 nan 8.290 nan 0.000 0.541 487 E N 0.031 120.059 120.200 -0.286 0.000 2.106 487 E HA -0.063 4.301 4.350 0.022 0.000 0.192 487 E C 2.054 178.348 176.600 -0.511 0.000 0.984 487 E CA 0.729 56.930 56.400 -0.332 0.000 0.806 487 E CB -0.304 29.207 29.700 -0.316 0.000 0.750 487 E HN 0.510 nan 8.360 nan 0.000 0.458 488 Y N 0.417 120.191 120.300 -0.878 0.000 2.274 488 Y HA -0.043 4.520 4.550 0.021 0.000 0.290 488 Y C 2.260 177.716 175.900 -0.740 0.000 1.145 488 Y CA 0.586 58.070 58.100 -1.027 0.000 1.203 488 Y CB -1.029 36.444 38.460 -1.646 0.000 0.984 488 Y HN 0.059 nan 8.280 nan 0.000 0.533 489 A N 0.062 122.634 122.820 -0.412 0.000 1.933 489 A HA -0.090 4.243 4.320 0.022 0.000 0.218 489 A C 2.669 180.240 177.584 -0.021 0.000 1.175 489 A CA 1.680 53.685 52.037 -0.054 0.000 0.628 489 A CB -1.367 17.735 19.000 0.170 0.000 0.814 489 A HN 0.444 nan 8.150 nan 0.000 0.444 490 G N 0.171 108.934 108.800 -0.063 0.000 2.418 490 G HA2 -0.195 3.778 3.960 0.022 0.000 0.217 490 G HA3 -0.195 3.778 3.960 0.022 0.000 0.217 490 G C 1.508 176.372 174.900 -0.059 0.000 1.158 490 G CA 1.133 46.215 45.100 -0.030 0.000 0.771 490 G HN 0.491 nan 8.290 nan 0.000 0.545 491 I N 1.817 122.312 120.570 -0.126 0.000 2.226 491 I HA -0.215 3.968 4.170 0.022 0.000 0.245 491 I C 3.196 179.260 176.117 -0.088 0.000 1.100 491 I CA 1.489 62.704 61.300 -0.143 0.000 1.374 491 I CB -0.277 37.613 38.000 -0.183 0.000 1.057 491 I HN 0.357 nan 8.210 nan 0.000 0.413 492 S N 0.558 116.226 115.700 -0.052 0.000 2.368 492 S HA -0.302 4.182 4.470 0.022 0.000 0.225 492 S C 2.003 176.702 174.600 0.164 0.000 1.030 492 S CA 1.524 59.754 58.200 0.049 0.000 0.999 492 S CB -0.444 62.804 63.200 0.080 0.000 0.844 492 S HN 0.416 nan 8.310 nan 0.000 0.459 493 Q N 1.970 121.848 119.800 0.130 0.000 2.123 493 Q HA 0.223 4.576 4.340 0.022 0.000 0.199 493 Q C 2.178 178.286 176.000 0.181 0.000 0.966 493 Q CA 1.672 57.584 55.803 0.182 0.000 0.845 493 Q CB -1.060 27.761 28.738 0.138 0.000 0.907 493 Q HN 0.629 nan 8.270 nan 0.000 0.439 494 A N 1.605 124.480 122.820 0.093 0.000 1.884 494 A HA -0.164 4.169 4.320 0.022 0.000 0.219 494 A C -0.365 177.334 177.584 0.192 0.000 1.197 494 A CA 1.884 53.998 52.037 0.128 0.000 0.637 494 A CB -1.906 16.936 19.000 -0.264 0.000 0.827 494 A HN 0.556 nan 8.150 nan 0.000 0.450 495 P HA -0.141 nan 4.420 nan 0.000 0.219 495 P C 0.936 178.153 177.300 -0.138 0.000 1.150 495 P CA 1.376 64.426 63.100 -0.083 0.000 0.814 495 P CB -0.371 31.171 31.700 -0.263 0.000 0.787 496 H N 0.095 119.197 119.070 0.053 0.000 2.395 496 H HA 0.106 4.676 4.556 0.024 0.000 0.299 496 H C 2.098 177.451 175.328 0.042 0.000 1.070 496 H CA 1.478 57.533 56.048 0.012 0.000 1.356 496 H CB -0.703 29.048 29.762 -0.019 0.000 1.401 496 H HN 0.108 nan 8.280 nan 0.000 0.524 497 A N 1.354 124.293 122.820 0.198 0.000 1.898 497 A HA -0.058 4.275 4.320 0.022 0.000 0.216 497 A C 2.687 180.324 177.584 0.089 0.000 1.181 497 A CA 1.621 53.750 52.037 0.154 0.000 0.620 497 A CB -0.755 18.353 19.000 0.180 0.000 0.819 497 A HN 0.413 nan 8.150 nan 0.000 0.442 498 A N -0.367 122.510 122.820 0.096 0.000 1.972 498 A HA -0.128 4.206 4.320 0.022 0.000 0.219 498 A C 2.191 179.782 177.584 0.013 0.000 1.169 498 A CA 1.474 53.515 52.037 0.007 0.000 0.635 498 A CB -0.390 18.661 19.000 0.086 0.000 0.810 498 A HN 0.532 nan 8.150 nan 0.000 0.446 499 R N -1.601 118.912 120.500 0.021 0.000 2.236 499 R HA 0.135 4.489 4.340 0.022 0.000 0.208 499 R C 1.360 177.671 176.300 0.019 0.000 1.036 499 R CA 0.596 56.700 56.100 0.007 0.000 1.001 499 R CB -0.158 30.135 30.300 -0.012 0.000 0.896 499 R HN 0.702 nan 8.270 nan 0.000 0.464 500 G N 1.505 110.329 108.800 0.041 0.000 2.143 500 G HA2 -0.234 3.739 3.960 0.022 0.000 0.248 500 G HA3 -0.234 3.739 3.960 0.022 0.000 0.248 500 G C -0.598 174.314 174.900 0.021 0.000 0.991 500 G CA 0.111 45.238 45.100 0.044 0.000 0.689 500 G HN 0.270 nan 8.290 nan 0.000 0.522 501 D N -0.000 120.411 120.400 0.018 0.000 2.455 501 D HA 0.447 5.101 4.640 0.022 0.000 0.241 501 D C 1.520 177.784 176.300 -0.060 0.000 1.138 501 D CA 0.582 54.543 54.000 -0.065 0.000 0.877 501 D CB 1.074 41.831 40.800 -0.071 0.000 1.187 501 D HN 0.389 nan 8.370 nan 0.000 0.451 502 A N 2.615 125.384 122.820 -0.085 0.000 2.067 502 A HA 0.030 4.363 4.320 0.022 0.000 0.219 502 A C 0.519 178.173 177.584 0.117 0.000 1.158 502 A CA 1.004 53.064 52.037 0.038 0.000 0.661 502 A CB -0.518 18.515 19.000 0.055 0.000 0.801 502 A HN 0.563 nan 8.150 nan 0.000 0.452 503 F N -6.461 113.458 119.950 -0.051 0.000 2.686 503 F HA 0.605 5.146 4.527 0.023 0.000 0.311 503 F C 0.154 175.840 175.800 -0.189 0.000 1.128 503 F CA -0.962 56.986 58.000 -0.088 0.000 0.946 503 F CB 0.818 39.738 39.000 -0.133 0.000 1.336 503 F HN -0.278 nan 8.300 nan 0.000 0.457 504 V N 0.169 120.027 119.914 -0.093 0.000 2.788 504 V HA 0.058 4.191 4.120 0.022 0.000 0.241 504 V C 0.521 176.590 176.094 -0.042 0.000 1.083 504 V CA 1.627 63.671 62.300 -0.426 0.000 1.103 504 V CB 0.315 32.107 31.823 -0.052 0.000 0.800 504 V HN 0.872 nan 8.190 nan 0.000 0.476 505 F N -0.704 119.346 119.950 0.167 0.000 2.743 505 F HA 0.459 5.000 4.527 0.023 0.000 0.356 505 F C 0.090 176.003 175.800 0.188 0.000 0.845 505 F CA -0.133 57.989 58.000 0.204 0.000 1.058 505 F CB 0.715 39.827 39.000 0.187 0.000 0.952 505 F HN 0.121 nan 8.300 nan 0.000 0.620 506 N N 1.970 120.634 118.700 -0.060 0.000 2.549 506 N HA 0.281 5.035 4.740 0.022 0.000 0.290 506 N C -2.516 172.614 175.510 -0.633 0.000 1.122 506 N CA -1.602 51.143 53.050 -0.508 0.000 0.885 506 N CB 2.261 40.299 38.487 -0.748 0.000 1.455 506 N HN -0.111 nan 8.380 nan 0.000 0.521 507 P HA -0.071 nan 4.420 nan 0.000 0.218 507 P C 1.577 178.483 177.300 -0.656 0.000 1.149 507 P CA 0.725 63.198 63.100 -1.045 0.000 0.817 507 P CB 0.737 31.671 31.700 -1.277 0.000 0.785 508 L N -0.820 120.038 121.223 -0.610 0.000 2.046 508 L HA -0.117 4.236 4.340 0.022 0.000 0.208 508 L C 2.719 179.363 176.870 -0.377 0.000 1.077 508 L CA 1.228 55.787 54.840 -0.468 0.000 0.747 508 L CB -1.352 40.365 42.059 -0.570 0.000 0.896 508 L HN -0.161 nan 8.230 nan 0.000 0.432 509 V N 0.265 119.930 119.914 -0.414 0.000 2.343 509 V HA -0.283 3.851 4.120 0.022 0.000 0.247 509 V C 2.634 178.668 176.094 -0.100 0.000 1.051 509 V CA 1.981 64.119 62.300 -0.269 0.000 1.036 509 V CB -0.516 30.989 31.823 -0.530 0.000 0.654 509 V HN 0.387 nan 8.190 nan 0.000 0.451 510 K N 0.844 121.144 120.400 -0.166 0.000 2.032 510 K HA -0.148 4.185 4.320 0.022 0.000 0.209 510 K C 1.762 178.373 176.600 0.018 0.000 1.048 510 K CA 1.913 58.189 56.287 -0.017 0.000 0.927 510 K CB -0.653 31.831 32.500 -0.026 0.000 0.712 510 K HN 0.471 nan 8.250 nan 0.000 0.441 511 I N 0.437 120.852 120.570 -0.259 0.000 2.394 511 I HA -0.179 4.004 4.170 0.022 0.000 0.251 511 I C 2.133 178.103 176.117 -0.244 0.000 1.136 511 I CA 1.074 62.176 61.300 -0.330 0.000 1.425 511 I CB -0.339 37.027 38.000 -1.057 0.000 1.079 511 I HN 0.225 nan 8.210 nan 0.000 0.425 512 A N 0.138 122.819 122.820 -0.231 0.000 2.121 512 A HA -0.085 4.248 4.320 0.022 0.000 0.218 512 A C 1.673 179.022 177.584 -0.392 0.000 1.154 512 A CA 1.242 53.157 52.037 -0.203 0.000 0.679 512 A CB -0.667 18.228 19.000 -0.176 0.000 0.795 512 A HN 0.424 nan 8.150 nan 0.000 0.458 513 F N -0.891 118.998 119.950 -0.103 0.000 2.695 513 F HA 0.382 4.922 4.527 0.023 0.000 0.303 513 F C 1.492 177.286 175.800 -0.010 0.000 1.091 513 F CA 0.089 58.012 58.000 -0.128 0.000 1.300 513 F CB 0.326 39.115 39.000 -0.351 0.000 1.071 513 F HN 0.151 nan 8.300 nan 0.000 0.578 514 A N 0.750 123.629 122.820 0.097 0.000 3.091 514 A HA 0.325 4.658 4.320 0.022 0.000 0.264 514 A C -0.540 177.068 177.584 0.041 0.000 1.673 514 A CA 0.190 52.252 52.037 0.041 0.000 1.362 514 A CB -0.770 18.238 19.000 0.013 0.000 1.137 514 A HN 0.149 nan 8.150 nan 0.000 0.617 515 D N 0.942 121.393 120.400 0.086 0.000 2.613 515 D HA 0.184 4.837 4.640 0.022 0.000 0.230 515 D C -0.284 176.089 176.300 0.122 0.000 1.365 515 D CA -0.402 53.654 54.000 0.093 0.000 0.976 515 D CB 1.201 42.067 40.800 0.110 0.000 1.415 515 D HN 0.320 nan 8.370 nan 0.000 0.589 516 D N 1.800 122.242 120.400 0.070 0.000 2.336 516 D HA 0.008 4.661 4.640 0.022 0.000 0.229 516 D C 0.493 176.827 176.300 0.056 0.000 1.061 516 D CA 0.138 54.179 54.000 0.068 0.000 0.875 516 D CB -0.300 40.515 40.800 0.024 0.000 0.904 516 D HN 0.241 nan 8.370 nan 0.000 0.525 517 N N -0.388 118.338 118.700 0.043 0.000 2.467 517 N HA 0.129 4.883 4.740 0.022 0.000 0.184 517 N C 0.214 175.854 175.510 0.216 0.000 1.106 517 N CA -0.099 52.956 53.050 0.008 0.000 0.892 517 N CB 0.185 38.478 38.487 -0.323 0.000 0.969 517 N HN 0.191 nan 8.380 nan 0.000 0.454 518 L N 0.153 121.546 121.223 0.282 0.000 2.492 518 L HA -0.047 4.306 4.340 0.022 0.000 0.280 518 L C 1.493 178.543 176.870 0.299 0.000 1.240 518 L CA -0.257 54.794 54.840 0.350 0.000 0.831 518 L CB 0.698 43.032 42.059 0.458 0.000 1.100 518 L HN -0.020 nan 8.230 nan 0.000 0.505 519 V N 1.178 121.288 119.914 0.327 0.000 2.446 519 V HA -0.136 3.997 4.120 0.022 0.000 0.244 519 V C 0.571 176.884 176.094 0.365 0.000 1.039 519 V CA 0.836 63.297 62.300 0.268 0.000 1.045 519 V CB -0.329 31.662 31.823 0.280 0.000 0.681 519 V HN 0.471 nan 8.190 nan 0.000 0.459 520 F N 1.535 121.683 119.950 0.330 0.000 2.384 520 F HA 0.396 4.936 4.527 0.022 0.000 0.338 520 F C 0.218 176.063 175.800 0.075 0.000 1.103 520 F CA -1.072 57.056 58.000 0.213 0.000 1.157 520 F CB 0.799 39.742 39.000 -0.096 0.000 1.167 520 F HN -0.003 nan 8.300 nan 0.000 0.529 521 D N 5.167 125.324 120.400 -0.406 0.000 2.441 521 D HA 0.077 4.730 4.640 0.022 0.000 0.221 521 D C 0.477 176.679 176.300 -0.163 0.000 1.156 521 D CA 0.009 53.907 54.000 -0.170 0.000 0.896 521 D CB -0.119 40.560 40.800 -0.201 0.000 1.028 521 D HN 0.443 nan 8.370 nan 0.000 0.509 522 F N 1.071 121.174 119.950 0.255 0.000 2.604 522 F HA -0.090 4.450 4.527 0.022 0.000 0.298 522 F C 2.633 178.507 175.800 0.124 0.000 1.131 522 F CA 1.009 59.185 58.000 0.294 0.000 1.457 522 F CB -0.119 39.059 39.000 0.298 0.000 1.095 522 F HN 0.398 nan 8.300 nan 0.000 0.574 523 T N -3.010 111.647 114.554 0.171 0.000 2.995 523 T HA -0.101 4.263 4.350 0.022 0.000 0.269 523 T C 0.987 175.690 174.700 0.005 0.000 1.091 523 T CA 0.972 63.118 62.100 0.076 0.000 1.128 523 T CB -0.205 68.684 68.868 0.035 0.000 0.891 523 T HN 0.103 nan 8.240 nan 0.000 0.492 524 N N 0.482 119.141 118.700 -0.069 0.000 2.711 524 N HA 0.282 5.035 4.740 0.022 0.000 0.263 524 N C 0.620 175.979 175.510 -0.252 0.000 1.667 524 N CA -0.248 52.723 53.050 -0.132 0.000 0.785 524 N CB 0.800 39.214 38.487 -0.121 0.000 1.231 524 N HN 0.045 nan 8.380 nan 0.000 0.503 525 V N 1.623 121.402 119.914 -0.226 0.000 2.287 525 V HA -0.206 3.928 4.120 0.022 0.000 0.248 525 V C 2.259 177.896 176.094 -0.762 0.000 1.053 525 V CA 1.797 63.859 62.300 -0.396 0.000 1.027 525 V CB -0.212 31.413 31.823 -0.330 0.000 0.646 525 V HN 0.511 nan 8.190 nan 0.000 0.447 526 R N -0.092 120.096 120.500 -0.520 0.000 2.092 526 R HA -0.053 4.300 4.340 0.022 0.000 0.231 526 R C 2.477 178.648 176.300 -0.214 0.000 1.119 526 R CA 1.220 57.076 56.100 -0.407 0.000 0.970 526 R CB -0.765 29.440 30.300 -0.158 0.000 0.864 526 R HN 0.594 nan 8.270 nan 0.000 0.440 527 G N 1.312 110.003 108.800 -0.182 0.000 2.440 527 G HA2 -0.254 3.719 3.960 0.022 0.000 0.218 527 G HA3 -0.254 3.719 3.960 0.022 0.000 0.218 527 G C 1.212 176.045 174.900 -0.112 0.000 1.154 527 G CA 0.520 45.553 45.100 -0.111 0.000 0.767 527 G HN 0.214 nan 8.290 nan 0.000 0.552 528 E N 0.336 120.390 120.200 -0.244 0.000 2.106 528 E HA -0.062 4.302 4.350 0.022 0.000 0.192 528 E C 2.298 178.926 176.600 0.047 0.000 0.984 528 E CA 0.463 56.728 56.400 -0.226 0.000 0.806 528 E CB -0.348 28.863 29.700 -0.815 0.000 0.750 528 E HN 0.409 nan 8.360 nan 0.000 0.458 529 F N 1.201 121.110 119.950 -0.067 0.000 2.126 529 F HA -0.120 4.420 4.527 0.022 0.000 0.299 529 F C 2.493 178.297 175.800 0.006 0.000 1.096 529 F CA 0.679 58.654 58.000 -0.042 0.000 1.255 529 F CB -1.453 37.474 39.000 -0.122 0.000 0.997 529 F HN -0.021 nan 8.300 nan 0.000 0.479 530 A N -0.157 122.779 122.820 0.194 0.000 1.877 530 A HA -0.240 4.093 4.320 0.022 0.000 0.216 530 A C 2.353 180.011 177.584 0.123 0.000 1.186 530 A CA 1.874 53.993 52.037 0.137 0.000 0.620 530 A CB -0.809 18.242 19.000 0.084 0.000 0.822 530 A HN 0.333 nan 8.150 nan 0.000 0.443 531 K N -0.681 119.786 120.400 0.113 0.000 2.063 531 K HA -0.131 4.202 4.320 0.022 0.000 0.208 531 K C 1.988 178.696 176.600 0.180 0.000 1.048 531 K CA 1.471 57.841 56.287 0.139 0.000 0.928 531 K CB -0.519 32.078 32.500 0.160 0.000 0.713 531 K HN 0.405 nan 8.250 nan 0.000 0.442 532 G N 0.128 109.030 108.800 0.171 0.000 2.408 532 G HA2 -0.221 3.752 3.960 0.022 0.000 0.217 532 G HA3 -0.221 3.752 3.960 0.022 0.000 0.217 532 G C 1.524 176.501 174.900 0.128 0.000 1.150 532 G CA 0.792 45.979 45.100 0.144 0.000 0.776 532 G HN 0.428 nan 8.290 nan 0.000 0.542 533 A N 0.467 123.364 122.820 0.127 0.000 1.969 533 A HA 0.189 4.522 4.320 0.022 0.000 0.218 533 A C 2.227 179.878 177.584 0.113 0.000 1.169 533 A CA 0.797 52.907 52.037 0.122 0.000 0.635 533 A CB -0.273 18.810 19.000 0.137 0.000 0.810 533 A HN 0.348 nan 8.150 nan 0.000 0.445 534 L N -1.645 119.645 121.223 0.112 0.000 2.610 534 L HA 0.064 4.417 4.340 0.022 0.000 0.232 534 L C 0.538 177.465 176.870 0.095 0.000 1.149 534 L CA 0.165 55.063 54.840 0.097 0.000 0.872 534 L CB -0.189 41.924 42.059 0.091 0.000 0.992 534 L HN 0.417 nan 8.230 nan 0.000 0.447 535 R N -0.253 120.314 120.500 0.111 0.000 3.532 535 R HA -0.199 4.154 4.340 0.022 0.000 0.284 535 R C 0.411 176.777 176.300 0.111 0.000 1.140 535 R CA 0.699 56.865 56.100 0.110 0.000 0.768 535 R CB -2.027 28.324 30.300 0.084 0.000 1.252 535 R HN 0.466 nan 8.270 nan 0.000 0.454 536 E N -0.421 119.858 120.200 0.132 0.000 2.562 536 E HA 0.103 4.466 4.350 0.022 0.000 0.214 536 E C -0.240 176.432 176.600 0.120 0.000 0.979 536 E CA -0.260 56.201 56.400 0.102 0.000 1.002 536 E CB 0.376 30.125 29.700 0.082 0.000 1.048 536 E HN 0.190 nan 8.360 nan 0.000 0.488 537 F N 2.334 122.306 119.950 0.038 0.000 2.394 537 F HA 0.215 4.756 4.527 0.022 0.000 0.340 537 F C -0.151 175.677 175.800 0.046 0.000 1.105 537 F CA -0.519 57.504 58.000 0.038 0.000 1.124 537 F CB 0.833 39.870 39.000 0.063 0.000 1.145 537 F HN -0.253 nan 8.300 nan 0.000 0.505 538 E N 7.782 127.702 120.200 -0.467 0.000 2.073 538 E HA 0.274 4.638 4.350 0.022 0.000 0.269 538 E C -2.335 174.146 176.600 -0.199 0.000 0.917 538 E CA -1.959 54.316 56.400 -0.209 0.000 0.757 538 E CB 0.792 30.389 29.700 -0.171 0.000 1.111 538 E HN 0.379 nan 8.360 nan 0.000 0.410 539 P HA 0.232 nan 4.420 nan 0.000 0.278 539 P C -0.775 176.608 177.300 0.137 0.000 1.266 539 P CA -0.462 62.816 63.100 0.297 0.000 0.807 539 P CB 1.096 33.002 31.700 0.343 0.000 1.094 540 A N -0.455 122.451 122.820 0.143 0.000 2.239 540 A HA 0.636 4.970 4.320 0.022 0.000 0.303 540 A C 1.129 178.755 177.584 0.071 0.000 1.114 540 A CA 0.055 52.142 52.037 0.082 0.000 0.871 540 A CB -0.433 18.616 19.000 0.081 0.000 1.201 540 A HN 0.824 nan 8.150 nan 0.000 0.506 541 G N -1.192 107.630 108.800 0.037 0.000 2.195 541 G HA2 -0.163 3.810 3.960 0.022 0.000 0.246 541 G HA3 -0.163 3.810 3.960 0.022 0.000 0.246 541 G C 0.134 175.046 174.900 0.021 0.000 0.984 541 G CA 0.360 45.473 45.100 0.022 0.000 0.633 541 G HN 0.723 nan 8.290 nan 0.000 0.525 542 E N -0.283 119.931 120.200 0.023 0.000 2.392 542 E HA 0.502 4.865 4.350 0.022 0.000 0.256 542 E C 1.110 177.709 176.600 -0.002 0.000 1.145 542 E CA -0.258 56.153 56.400 0.017 0.000 0.929 542 E CB 0.424 30.135 29.700 0.020 0.000 0.998 542 E HN 0.231 nan 8.360 nan 0.000 0.442 543 R N 0.311 120.810 120.500 -0.002 0.000 2.432 543 R HA 0.206 4.559 4.340 0.022 0.000 0.260 543 R C 1.446 177.734 176.300 -0.019 0.000 0.935 543 R CA 0.468 56.562 56.100 -0.011 0.000 1.080 543 R CB -0.112 30.188 30.300 -0.001 0.000 1.155 543 R HN 0.509 nan 8.270 nan 0.000 0.531 544 A N 0.717 123.526 122.820 -0.017 0.000 1.986 544 A HA -0.186 4.147 4.320 0.022 0.000 0.220 544 A C 1.812 179.377 177.584 -0.031 0.000 1.171 544 A CA 1.325 53.351 52.037 -0.018 0.000 0.640 544 A CB -0.356 18.637 19.000 -0.013 0.000 0.811 544 A HN 0.313 nan 8.150 nan 0.000 0.451 545 L N 0.056 121.244 121.223 -0.059 0.000 2.191 545 L HA -0.010 4.343 4.340 0.022 0.000 0.212 545 L C 1.675 178.504 176.870 -0.067 0.000 1.103 545 L CA 1.897 56.684 54.840 -0.088 0.000 0.769 545 L CB -0.300 41.646 42.059 -0.188 0.000 0.908 545 L HN 0.603 nan 8.230 nan 0.000 0.438 546 I N -3.471 117.070 120.570 -0.048 0.000 3.927 546 I HA 0.315 4.498 4.170 0.022 0.000 0.332 546 I C 0.070 176.186 176.117 -0.001 0.000 1.485 546 I CA -0.009 61.281 61.300 -0.016 0.000 1.131 546 I CB -0.442 37.553 38.000 -0.007 0.000 1.092 546 I HN 0.156 nan 8.210 nan 0.000 0.410 547 T N -1.866 112.685 114.554 -0.005 0.000 2.916 547 T HA 0.702 5.065 4.350 0.022 0.000 0.292 547 T C -2.630 172.071 174.700 0.002 0.000 1.064 547 T CA -1.533 60.568 62.100 0.002 0.000 1.011 547 T CB 1.561 70.430 68.868 0.001 0.000 1.152 547 T HN -0.130 nan 8.240 nan 0.000 0.510 548 P HA 0.513 nan 4.420 nan 0.000 0.272 548 P C -0.209 177.093 177.300 0.004 0.000 1.240 548 P CA -0.523 62.580 63.100 0.005 0.000 0.791 548 P CB 0.030 31.734 31.700 0.006 0.000 0.978 549 A N 0.000 122.823 122.820 0.004 0.000 2.254 549 A HA 0.000 4.333 4.320 0.022 0.000 0.244 549 A CA 0.000 52.039 52.037 0.004 0.000 0.836 549 A CB 0.000 19.003 19.000 0.005 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486