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 1hbo_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 0.000 177.573 177.584 -0.018 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 3 D N 2.922 123.297 120.400 -0.042 0.000 2.478 3 D HA 0.258 4.913 4.640 0.026 0.000 0.234 3 D C 0.112 176.314 176.300 -0.163 0.000 1.154 3 D CA 0.391 54.338 54.000 -0.088 0.000 0.874 3 D CB 0.468 41.211 40.800 -0.095 0.000 1.198 3 D HN 0.189 nan 8.370 nan 0.000 0.455 4 K N 1.649 121.871 120.400 -0.297 0.000 2.455 4 K HA 0.003 4.339 4.320 0.026 0.000 0.269 4 K C 1.431 177.693 176.600 -0.563 0.000 0.972 4 K CA -0.060 55.901 56.287 -0.543 0.000 0.938 4 K CB 0.213 31.983 32.500 -1.218 0.000 0.931 4 K HN 0.395 nan 8.250 nan 0.000 0.507 5 L N 1.094 122.072 121.223 -0.408 0.000 2.362 5 L HA -0.116 4.239 4.340 0.026 0.000 0.219 5 L C 1.643 178.423 176.870 -0.151 0.000 1.134 5 L CA 0.946 55.671 54.840 -0.193 0.000 0.807 5 L CB -0.432 41.620 42.059 -0.012 0.000 0.927 5 L HN 0.555 nan 8.230 nan 0.000 0.447 6 F N -2.824 117.105 119.950 -0.035 0.000 2.765 6 F HA 0.183 4.724 4.527 0.024 0.000 0.302 6 F C 1.927 177.688 175.800 -0.065 0.000 1.111 6 F CA -0.331 57.636 58.000 -0.055 0.000 1.359 6 F CB -0.749 38.193 39.000 -0.097 0.000 1.097 6 F HN -0.155 nan 8.300 nan 0.000 0.577 7 I N 1.461 121.959 120.570 -0.120 0.000 2.202 7 I HA -0.230 3.955 4.170 0.026 0.000 0.242 7 I C 1.891 178.035 176.117 0.045 0.000 1.091 7 I CA 1.024 62.300 61.300 -0.040 0.000 1.368 7 I CB -1.188 36.722 38.000 -0.150 0.000 1.058 7 I HN 0.217 nan 8.210 nan 0.000 0.410 8 N N 1.516 120.240 118.700 0.039 0.000 2.061 8 N HA -0.171 4.585 4.740 0.026 0.000 0.193 8 N C 1.925 177.522 175.510 0.145 0.000 1.030 8 N CA 1.846 54.946 53.050 0.083 0.000 0.856 8 N CB -0.386 38.161 38.487 0.100 0.000 1.023 8 N HN 0.382 nan 8.380 nan 0.000 0.424 9 A N 1.133 124.076 122.820 0.206 0.000 1.902 9 A HA -0.069 4.267 4.320 0.026 0.000 0.217 9 A C 2.417 180.081 177.584 0.133 0.000 1.181 9 A CA 0.999 53.200 52.037 0.274 0.000 0.623 9 A CB -0.734 18.391 19.000 0.208 0.000 0.818 9 A HN 0.239 nan 8.150 nan 0.000 0.443 10 L N -0.840 120.458 121.223 0.125 0.000 2.093 10 L HA -0.183 4.173 4.340 0.026 0.000 0.208 10 L C 2.552 179.478 176.870 0.095 0.000 1.085 10 L CA 1.592 56.504 54.840 0.120 0.000 0.755 10 L CB -0.452 41.729 42.059 0.204 0.000 0.904 10 L HN 0.367 nan 8.230 nan 0.000 0.435 11 K N -0.237 120.211 120.400 0.079 0.000 2.097 11 K HA -0.154 4.181 4.320 0.026 0.000 0.206 11 K C 2.151 178.730 176.600 -0.035 0.000 1.049 11 K CA 0.791 57.105 56.287 0.044 0.000 0.933 11 K CB -0.051 32.468 32.500 0.031 0.000 0.717 11 K HN 0.063 nan 8.250 nan 0.000 0.442 12 K N 1.524 121.864 120.400 -0.100 0.000 2.211 12 K HA -0.088 4.247 4.320 0.026 0.000 0.203 12 K C 1.651 178.107 176.600 -0.240 0.000 1.050 12 K CA 1.233 57.378 56.287 -0.237 0.000 0.945 12 K CB 0.157 32.346 32.500 -0.518 0.000 0.732 12 K HN 0.125 nan 8.250 nan 0.000 0.451 13 K N -1.259 118.965 120.400 -0.294 0.000 2.137 13 K HA 0.050 4.386 4.320 0.026 0.000 0.202 13 K C 0.389 176.675 176.600 -0.523 0.000 1.052 13 K CA 0.675 56.619 56.287 -0.572 0.000 0.961 13 K CB 0.270 32.124 32.500 -1.076 0.000 0.741 13 K HN -0.060 nan 8.250 nan 0.000 0.452 14 F N 0.125 120.057 119.950 -0.030 0.000 2.576 14 F HA 0.138 4.680 4.527 0.025 0.000 0.313 14 F C 0.911 176.691 175.800 -0.034 0.000 1.078 14 F CA -1.113 56.869 58.000 -0.030 0.000 0.921 14 F CB 1.984 40.977 39.000 -0.012 0.000 1.232 14 F HN -0.095 nan 8.300 nan 0.000 0.459 15 E N 0.081 120.377 120.200 0.160 0.000 2.152 15 E HA -0.069 4.296 4.350 0.026 0.000 0.192 15 E C -0.319 176.315 176.600 0.057 0.000 0.983 15 E CA 0.632 57.071 56.400 0.065 0.000 0.818 15 E CB -0.101 29.613 29.700 0.023 0.000 0.758 15 E HN 0.498 nan 8.360 nan 0.000 0.467 16 E N 1.583 121.818 120.200 0.057 0.000 2.398 16 E HA 0.117 4.483 4.350 0.026 0.000 0.263 16 E C -0.369 176.276 176.600 0.074 0.000 1.046 16 E CA -0.104 56.312 56.400 0.028 0.000 0.908 16 E CB 0.843 30.520 29.700 -0.039 0.000 0.963 16 E HN -0.091 nan 8.360 nan 0.000 0.431 17 S N 2.551 118.286 115.700 0.058 0.000 2.563 17 S HA 0.013 4.499 4.470 0.026 0.000 0.284 17 S C -1.475 173.199 174.600 0.123 0.000 1.331 17 S CA -1.222 57.031 58.200 0.089 0.000 1.047 17 S CB 0.381 63.624 63.200 0.071 0.000 0.859 17 S HN 0.392 nan 8.310 nan 0.000 0.514 18 P HA -0.026 nan 4.420 nan 0.000 0.223 18 P C 0.463 177.946 177.300 0.304 0.000 1.151 18 P CA 0.901 64.162 63.100 0.268 0.000 0.787 18 P CB 0.067 31.948 31.700 0.301 0.000 0.788 19 E N -0.088 120.257 120.200 0.241 0.000 2.347 19 E HA -0.060 4.306 4.350 0.026 0.000 0.196 19 E C 0.494 177.108 176.600 0.024 0.000 1.008 19 E CA 0.373 56.830 56.400 0.094 0.000 0.852 19 E CB -0.527 29.195 29.700 0.036 0.000 0.783 19 E HN 0.498 nan 8.360 nan 0.000 0.505 20 E N 0.982 121.194 120.200 0.020 0.000 2.392 20 E HA 0.024 4.390 4.350 0.026 0.000 0.264 20 E C 0.289 176.858 176.600 -0.051 0.000 1.024 20 E CA 0.208 56.593 56.400 -0.026 0.000 0.903 20 E CB 0.669 30.346 29.700 -0.038 0.000 0.963 20 E HN 0.101 nan 8.360 nan 0.000 0.432 21 K N 1.645 122.010 120.400 -0.058 0.000 2.367 21 K HA 0.117 4.452 4.320 0.026 0.000 0.194 21 K C 0.168 176.721 176.600 -0.079 0.000 1.027 21 K CA 0.391 56.642 56.287 -0.061 0.000 1.075 21 K CB 0.476 32.948 32.500 -0.048 0.000 0.845 21 K HN 0.226 nan 8.250 nan 0.000 0.529 22 K N 0.090 120.426 120.400 -0.106 0.000 2.443 22 K HA 0.386 4.722 4.320 0.026 0.000 0.251 22 K C -0.684 175.781 176.600 -0.224 0.000 0.972 22 K CA -0.513 55.691 56.287 -0.139 0.000 0.833 22 K CB 2.470 34.907 32.500 -0.104 0.000 1.317 22 K HN -0.178 nan 8.250 nan 0.000 0.441 23 T N -0.558 113.788 114.554 -0.347 0.000 2.645 23 T HA 0.398 4.763 4.350 0.026 0.000 0.300 23 T C -1.416 172.916 174.700 -0.613 0.000 1.210 23 T CA -0.384 61.428 62.100 -0.480 0.000 1.034 23 T CB 1.764 70.269 68.868 -0.604 0.000 1.537 23 T HN 0.462 nan 8.240 nan 0.000 0.492 24 T N 1.550 115.725 114.554 -0.632 0.000 2.829 24 T HA 0.757 5.122 4.350 0.026 0.000 0.280 24 T C -1.181 173.122 174.700 -0.663 0.000 0.999 24 T CA -0.244 61.539 62.100 -0.529 0.000 0.983 24 T CB 0.527 69.245 68.868 -0.249 0.000 0.968 24 T HN 0.389 nan 8.240 nan 0.000 0.446 25 F N 0.087 119.852 119.950 -0.309 0.000 2.712 25 F HA 0.461 5.003 4.527 0.025 0.000 0.367 25 F C 0.473 176.010 175.800 -0.439 0.000 1.132 25 F CA -1.174 56.478 58.000 -0.581 0.000 1.066 25 F CB 0.969 39.240 39.000 -1.216 0.000 1.416 25 F HN 0.727 nan 8.300 nan 0.000 0.515 26 Y N -1.805 118.610 120.300 0.192 0.000 4.782 26 Y HA -0.319 4.247 4.550 0.026 0.000 0.273 26 Y C 1.228 177.149 175.900 0.036 0.000 0.984 26 Y CA 0.825 58.976 58.100 0.084 0.000 1.897 26 Y CB -2.173 36.329 38.460 0.070 0.000 1.230 26 Y HN 0.572 nan 8.280 nan 0.000 0.470 27 T N -2.429 112.191 114.554 0.110 0.000 3.266 27 T HA 0.498 4.864 4.350 0.026 0.000 0.278 27 T C 0.629 175.334 174.700 0.009 0.000 1.010 27 T CA -0.098 62.034 62.100 0.055 0.000 0.909 27 T CB -0.370 68.523 68.868 0.041 0.000 1.122 27 T HN 0.403 nan 8.240 nan 0.000 0.536 28 L N 0.307 121.534 121.223 0.006 0.000 2.607 28 L HA 0.483 4.838 4.340 0.026 0.000 0.228 28 L C 1.796 178.634 176.870 -0.053 0.000 1.123 28 L CA 0.203 55.032 54.840 -0.019 0.000 0.890 28 L CB -0.394 41.662 42.059 -0.004 0.000 1.103 28 L HN 0.581 nan 8.230 nan 0.000 0.468 29 G N 0.137 108.897 108.800 -0.068 0.000 2.131 29 G HA2 -0.109 3.866 3.960 0.026 0.000 0.223 29 G HA3 -0.109 3.866 3.960 0.026 0.000 0.223 29 G C 0.791 175.560 174.900 -0.219 0.000 0.990 29 G CA 0.104 45.111 45.100 -0.155 0.000 0.671 29 G HN 0.687 nan 8.290 nan 0.000 0.521 30 G N 0.471 109.213 108.800 -0.095 0.000 2.611 30 G HA2 -0.311 3.664 3.960 0.026 0.000 0.301 30 G HA3 -0.311 3.664 3.960 0.026 0.000 0.301 30 G C 1.440 176.335 174.900 -0.008 0.000 1.233 30 G CA 1.908 46.985 45.100 -0.038 0.000 0.993 30 G HN 1.764 nan 8.290 nan 0.000 0.553 31 W N 0.889 122.211 121.300 0.036 0.000 2.387 31 W HA 0.017 4.692 4.660 0.025 0.000 0.272 31 W C 1.863 178.395 176.519 0.022 0.000 1.224 31 W CA 1.302 58.671 57.345 0.039 0.000 1.210 31 W CB -0.615 28.887 29.460 0.070 0.000 1.125 31 W HN 0.520 nan 8.180 nan 0.000 0.572 32 K N 1.446 121.568 120.400 -0.463 0.000 2.442 32 K HA -0.200 4.135 4.320 0.026 0.000 0.198 32 K C 2.262 178.780 176.600 -0.136 0.000 1.042 32 K CA 1.769 57.780 56.287 -0.460 0.000 0.958 32 K CB -0.311 31.749 32.500 -0.733 0.000 0.766 32 K HN 0.438 nan 8.250 nan 0.000 0.474 33 Q N 0.380 120.136 119.800 -0.073 0.000 2.291 33 Q HA -0.033 4.322 4.340 0.026 0.000 0.205 33 Q C 0.603 176.606 176.000 0.006 0.000 0.970 33 Q CA 0.803 56.588 55.803 -0.030 0.000 0.876 33 Q CB 0.133 28.861 28.738 -0.016 0.000 0.935 33 Q HN -0.037 nan 8.270 nan 0.000 0.455 34 S N 0.081 115.811 115.700 0.050 0.000 2.437 34 S HA 0.095 4.580 4.470 0.026 0.000 0.305 34 S C 0.496 175.116 174.600 0.032 0.000 1.109 34 S CA -0.698 57.523 58.200 0.035 0.000 1.099 34 S CB 1.662 64.888 63.200 0.044 0.000 1.004 34 S HN 0.452 nan 8.310 nan 0.000 0.475 35 E N 3.834 124.029 120.200 -0.008 0.000 2.085 35 E HA -0.233 4.132 4.350 0.026 0.000 0.194 35 E C 1.855 178.399 176.600 -0.094 0.000 0.994 35 E CA 1.187 57.573 56.400 -0.022 0.000 0.801 35 E CB -0.061 29.624 29.700 -0.024 0.000 0.743 35 E HN 0.655 nan 8.360 nan 0.000 0.453 36 R N 0.747 121.140 120.500 -0.179 0.000 2.073 36 R HA -0.062 4.293 4.340 0.026 0.000 0.229 36 R C 2.171 178.056 176.300 -0.691 0.000 1.120 36 R CA 1.523 57.358 56.100 -0.442 0.000 0.967 36 R CB -0.039 30.012 30.300 -0.414 0.000 0.862 36 R HN -0.002 nan 8.270 nan 0.000 0.436 37 K N -0.278 119.899 120.400 -0.372 0.000 2.097 37 K HA -0.049 4.286 4.320 0.026 0.000 0.206 37 K C 2.001 178.542 176.600 -0.098 0.000 1.049 37 K CA 1.846 58.001 56.287 -0.219 0.000 0.933 37 K CB -0.578 31.988 32.500 0.111 0.000 0.717 37 K HN 0.265 nan 8.250 nan 0.000 0.442 38 T N 1.533 116.121 114.554 0.057 0.000 2.708 38 T HA -0.178 4.188 4.350 0.026 0.000 0.266 38 T C 1.820 176.523 174.700 0.005 0.000 1.037 38 T CA 1.530 63.724 62.100 0.155 0.000 1.146 38 T CB -0.149 68.852 68.868 0.222 0.000 0.865 38 T HN 0.418 nan 8.240 nan 0.000 0.435 39 E N 0.398 120.567 120.200 -0.051 0.000 2.086 39 E HA -0.177 4.189 4.350 0.026 0.000 0.200 39 E C 1.922 178.551 176.600 0.049 0.000 1.012 39 E CA 1.397 57.787 56.400 -0.016 0.000 0.812 39 E CB -0.290 29.386 29.700 -0.040 0.000 0.743 39 E HN 0.659 nan 8.360 nan 0.000 0.453 40 F N -0.003 119.792 119.950 -0.259 0.000 2.134 40 F HA -0.190 4.352 4.527 0.025 0.000 0.299 40 F C 2.500 177.987 175.800 -0.521 0.000 1.097 40 F CA 0.308 57.993 58.000 -0.526 0.000 1.264 40 F CB -0.109 38.380 39.000 -0.852 0.000 1.001 40 F HN -0.009 nan 8.300 nan 0.000 0.479 41 V N 0.409 120.222 119.914 -0.169 0.000 2.295 41 V HA -0.302 3.833 4.120 0.026 0.000 0.246 41 V C 1.973 178.025 176.094 -0.070 0.000 1.049 41 V CA 1.802 64.016 62.300 -0.144 0.000 1.024 41 V CB -0.653 30.831 31.823 -0.565 0.000 0.648 41 V HN 0.332 nan 8.190 nan 0.000 0.447 42 N N 0.590 119.258 118.700 -0.053 0.000 2.069 42 N HA -0.144 4.611 4.740 0.026 0.000 0.191 42 N C 1.901 177.403 175.510 -0.013 0.000 1.031 42 N CA 1.789 54.835 53.050 -0.008 0.000 0.852 42 N CB -0.541 37.955 38.487 0.016 0.000 1.018 42 N HN 0.493 nan 8.380 nan 0.000 0.423 43 A N 0.659 123.461 122.820 -0.031 0.000 1.902 43 A HA -0.004 4.331 4.320 0.026 0.000 0.217 43 A C 2.403 179.954 177.584 -0.054 0.000 1.181 43 A CA 1.925 53.932 52.037 -0.049 0.000 0.623 43 A CB -1.259 17.695 19.000 -0.077 0.000 0.818 43 A HN 0.357 nan 8.150 nan 0.000 0.443 44 G N -0.225 108.545 108.800 -0.051 0.000 2.469 44 G HA2 -0.297 3.678 3.960 0.026 0.000 0.219 44 G HA3 -0.297 3.678 3.960 0.026 0.000 0.219 44 G C 1.695 176.606 174.900 0.019 0.000 1.150 44 G CA 1.297 46.413 45.100 0.027 0.000 0.763 44 G HN 0.593 nan 8.290 nan 0.000 0.561 45 K N 0.202 120.609 120.400 0.012 0.000 2.062 45 K HA -0.013 4.322 4.320 0.026 0.000 0.205 45 K C 2.509 179.111 176.600 0.003 0.000 1.051 45 K CA 1.214 57.507 56.287 0.010 0.000 0.941 45 K CB -0.102 32.406 32.500 0.013 0.000 0.719 45 K HN 0.411 nan 8.250 nan 0.000 0.440 46 E N 0.453 120.651 120.200 -0.002 0.000 2.047 46 E HA -0.153 4.212 4.350 0.026 0.000 0.191 46 E C 2.069 178.663 176.600 -0.010 0.000 0.987 46 E CA 1.109 57.506 56.400 -0.005 0.000 0.799 46 E CB -0.049 29.646 29.700 -0.008 0.000 0.752 46 E HN 0.002 nan 8.360 nan 0.000 0.449 47 V N 1.683 121.586 119.914 -0.018 0.000 2.255 47 V HA -0.331 3.804 4.120 0.026 0.000 0.247 47 V C 2.399 178.484 176.094 -0.014 0.000 1.051 47 V CA 2.074 64.361 62.300 -0.022 0.000 1.018 47 V CB -0.838 30.964 31.823 -0.035 0.000 0.641 47 V HN 0.353 nan 8.190 nan 0.000 0.445 48 A N -0.272 122.544 122.820 -0.008 0.000 1.908 48 A HA -0.152 4.184 4.320 0.026 0.000 0.218 48 A C 2.392 179.973 177.584 -0.005 0.000 1.181 48 A CA 2.331 54.364 52.037 -0.006 0.000 0.627 48 A CB -0.787 18.212 19.000 -0.002 0.000 0.818 48 A HN 0.611 nan 8.150 nan 0.000 0.445 49 A N -0.395 122.423 122.820 -0.003 0.000 1.898 49 A HA -0.123 4.212 4.320 0.026 0.000 0.216 49 A C 2.130 179.713 177.584 -0.003 0.000 1.181 49 A CA 1.895 53.931 52.037 -0.001 0.000 0.620 49 A CB -0.461 18.540 19.000 0.002 0.000 0.819 49 A HN 0.548 nan 8.150 nan 0.000 0.442 50 K N 0.142 120.539 120.400 -0.005 0.000 2.032 50 K HA -0.207 4.128 4.320 0.026 0.000 0.209 50 K C 2.202 178.798 176.600 -0.006 0.000 1.048 50 K CA 1.834 58.118 56.287 -0.006 0.000 0.927 50 K CB -0.182 32.312 32.500 -0.008 0.000 0.712 50 K HN 0.600 nan 8.250 nan 0.000 0.441 51 R N -0.968 119.527 120.500 -0.008 0.000 2.280 51 R HA 0.080 4.435 4.340 0.026 0.000 0.195 51 R C 0.849 177.145 176.300 -0.007 0.000 0.935 51 R CA 0.917 57.011 56.100 -0.009 0.000 1.033 51 R CB 0.227 30.519 30.300 -0.012 0.000 0.964 51 R HN 0.312 nan 8.270 nan 0.000 0.489 52 G N 1.568 110.365 108.800 -0.006 0.000 2.147 52 G HA2 -0.214 3.762 3.960 0.026 0.000 0.244 52 G HA3 -0.214 3.762 3.960 0.026 0.000 0.244 52 G C -0.105 174.791 174.900 -0.006 0.000 1.005 52 G CA 0.451 45.548 45.100 -0.005 0.000 0.713 52 G HN 0.373 nan 8.290 nan 0.000 0.515 53 I N 0.172 120.737 120.570 -0.008 0.000 2.548 53 I HA 0.300 4.486 4.170 0.026 0.000 0.287 53 I C -2.385 173.726 176.117 -0.011 0.000 1.103 53 I CA -2.503 58.791 61.300 -0.010 0.000 1.049 53 I CB 2.459 40.452 38.000 -0.012 0.000 1.232 53 I HN -0.195 nan 8.210 nan 0.000 0.429 54 P HA -0.006 nan 4.420 nan 0.000 0.266 54 P C -0.601 176.690 177.300 -0.016 0.000 1.186 54 P CA 0.334 63.426 63.100 -0.014 0.000 0.767 54 P CB 1.058 32.748 31.700 -0.018 0.000 0.820 55 Q N 2.087 121.880 119.800 -0.011 0.000 3.011 55 Q HA 0.158 4.514 4.340 0.026 0.000 0.223 55 Q C -0.696 175.309 176.000 0.009 0.000 1.127 55 Q CA -0.458 55.343 55.803 -0.003 0.000 0.412 55 Q CB 0.174 28.914 28.738 0.003 0.000 5.323 55 Q HN 0.312 nan 8.270 nan 0.000 0.286 56 Y N 2.954 123.200 120.300 -0.091 0.000 2.544 56 Y HA 0.176 4.741 4.550 0.025 0.000 0.330 56 Y C -0.787 175.052 175.900 -0.102 0.000 1.136 56 Y CA 0.648 58.686 58.100 -0.104 0.000 1.417 56 Y CB 0.327 38.709 38.460 -0.129 0.000 1.229 56 Y HN 0.340 nan 8.280 nan 0.000 0.532 57 N N 8.350 126.788 118.700 -0.437 0.000 2.549 57 N HA 0.260 5.015 4.740 0.026 0.000 0.290 57 N C -2.367 172.882 175.510 -0.435 0.000 1.122 57 N CA -2.077 50.798 53.050 -0.291 0.000 0.885 57 N CB 1.898 40.291 38.487 -0.156 0.000 1.455 57 N HN 0.339 nan 8.380 nan 0.000 0.521 58 P HA 0.010 nan 4.420 nan 0.000 0.228 58 P C -0.216 177.026 177.300 -0.097 0.000 1.151 58 P CA 0.874 63.778 63.100 -0.326 0.000 0.770 58 P CB 0.521 31.877 31.700 -0.573 0.000 0.786 59 D N -0.675 119.689 120.400 -0.061 0.000 2.339 59 D HA 0.097 4.752 4.640 0.026 0.000 0.217 59 D C 0.916 177.199 176.300 -0.030 0.000 1.050 59 D CA 0.074 54.076 54.000 0.003 0.000 0.856 59 D CB 0.240 41.059 40.800 0.032 0.000 0.922 59 D HN 0.208 nan 8.370 nan 0.000 0.518 60 I N 0.775 121.296 120.570 -0.082 0.000 2.519 60 I HA 0.239 4.425 4.170 0.026 0.000 0.287 60 I C 1.721 177.803 176.117 -0.059 0.000 1.047 60 I CA 0.258 61.513 61.300 -0.075 0.000 1.381 60 I CB 0.606 38.541 38.000 -0.110 0.000 1.417 60 I HN 0.127 nan 8.210 nan 0.000 0.540 61 G N 5.317 114.095 108.800 -0.036 0.000 2.574 61 G HA2 -0.246 3.730 3.960 0.026 0.000 0.282 61 G HA3 -0.246 3.730 3.960 0.026 0.000 0.282 61 G C 0.125 175.021 174.900 -0.007 0.000 1.257 61 G CA 0.233 45.321 45.100 -0.021 0.000 0.956 61 G HN 0.912 nan 8.290 nan 0.000 0.560 62 T N 0.245 114.800 114.554 0.000 0.000 2.899 62 T HA 0.651 5.016 4.350 0.026 0.000 0.284 62 T C -2.152 172.568 174.700 0.032 0.000 1.004 62 T CA -0.496 61.613 62.100 0.014 0.000 1.043 62 T CB 2.052 70.927 68.868 0.011 0.000 1.013 62 T HN 0.755 nan 8.240 nan 0.000 0.518 63 P HA 0.358 nan 4.420 nan 0.000 0.283 63 P C -0.159 177.201 177.300 0.100 0.000 1.412 63 P CA -0.575 62.582 63.100 0.095 0.000 0.912 63 P CB 0.329 32.085 31.700 0.095 0.000 1.132 64 L N 2.111 123.406 121.223 0.120 0.000 2.529 64 L HA 0.170 4.525 4.340 0.026 0.000 0.287 64 L C 1.572 178.514 176.870 0.121 0.000 1.241 64 L CA 1.130 56.038 54.840 0.112 0.000 0.857 64 L CB -0.409 41.736 42.059 0.144 0.000 1.113 64 L HN 0.779 nan 8.230 nan 0.000 0.504 65 G N 1.285 110.128 108.800 0.071 0.000 2.165 65 G HA2 -0.196 3.780 3.960 0.026 0.000 0.226 65 G HA3 -0.196 3.780 3.960 0.026 0.000 0.226 65 G C 0.662 175.588 174.900 0.043 0.000 1.035 65 G CA -0.164 44.972 45.100 0.060 0.000 0.744 65 G HN 0.615 nan 8.290 nan 0.000 0.501 66 Q N -0.797 119.022 119.800 0.031 0.000 2.297 66 Q HA 0.026 4.381 4.340 0.026 0.000 0.204 66 Q C 1.798 177.766 176.000 -0.053 0.000 0.962 66 Q CA 1.770 57.595 55.803 0.037 0.000 0.879 66 Q CB 0.043 28.842 28.738 0.102 0.000 0.947 66 Q HN 0.957 nan 8.270 nan 0.000 0.462 67 R N -1.477 118.991 120.500 -0.052 0.000 2.810 67 R HA 0.571 4.926 4.340 0.026 0.000 0.245 67 R C -0.304 176.043 176.300 0.077 0.000 1.168 67 R CA -0.871 55.257 56.100 0.047 0.000 1.096 67 R CB 0.158 30.426 30.300 -0.052 0.000 1.259 67 R HN -0.292 nan 8.270 nan 0.000 0.518 68 V N 2.234 122.234 119.914 0.144 0.000 2.493 68 V HA 0.043 4.178 4.120 0.026 0.000 0.292 68 V C 0.156 176.292 176.094 0.070 0.000 1.016 68 V CA 0.107 62.484 62.300 0.129 0.000 1.097 68 V CB -0.045 31.932 31.823 0.256 0.000 0.947 68 V HN 0.419 nan 8.190 nan 0.000 0.479 69 L N 7.317 128.556 121.223 0.027 0.000 2.342 69 L HA 0.329 4.684 4.340 0.026 0.000 0.285 69 L C 0.352 177.187 176.870 -0.059 0.000 1.095 69 L CA 0.220 55.061 54.840 0.003 0.000 0.843 69 L CB 0.192 42.269 42.059 0.030 0.000 1.201 69 L HN 0.558 nan 8.230 nan 0.000 0.445 70 M N 5.646 125.160 119.600 -0.144 0.000 2.250 70 M HA 0.332 4.828 4.480 0.026 0.000 0.344 70 M C -2.086 174.005 176.300 -0.348 0.000 1.150 70 M CA -1.650 53.458 55.300 -0.320 0.000 1.147 70 M CB 0.812 33.108 32.600 -0.508 0.000 1.498 70 M HN 0.261 nan 8.290 nan 0.000 0.461 71 P HA 0.207 nan 4.420 nan 0.000 0.277 71 P C -1.799 175.376 177.300 -0.209 0.000 1.240 71 P CA -0.044 62.986 63.100 -0.118 0.000 0.798 71 P CB 0.408 32.117 31.700 0.014 0.000 0.979 72 Y N -0.521 119.833 120.300 0.091 0.000 2.376 72 Y HA 0.320 4.885 4.550 0.025 0.000 0.340 72 Y C 1.008 176.855 175.900 -0.089 0.000 0.965 72 Y CA -0.702 57.412 58.100 0.024 0.000 1.078 72 Y CB 2.194 40.653 38.460 -0.002 0.000 1.193 72 Y HN 0.331 nan 8.280 nan 0.000 0.452 73 Q N 2.682 122.414 119.800 -0.113 0.000 2.288 73 Q HA 0.357 4.712 4.340 0.026 0.000 0.258 73 Q C -1.160 174.753 176.000 -0.145 0.000 0.957 73 Q CA -0.519 54.972 55.803 -0.518 0.000 0.919 73 Q CB 0.960 29.297 28.738 -0.669 0.000 1.185 73 Q HN 0.593 nan 8.270 nan 0.000 0.408 74 V N 4.337 124.191 119.914 -0.100 0.000 2.439 74 V HA 0.033 4.168 4.120 0.026 0.000 0.271 74 V C 0.182 176.297 176.094 0.036 0.000 1.040 74 V CA -0.073 62.268 62.300 0.069 0.000 1.002 74 V CB 0.919 32.817 31.823 0.125 0.000 1.000 74 V HN 0.832 nan 8.190 nan 0.000 0.477 75 S N 4.146 119.899 115.700 0.089 0.000 2.558 75 S HA 0.145 4.631 4.470 0.026 0.000 0.291 75 S C 1.327 175.960 174.600 0.055 0.000 1.306 75 S CA 0.708 58.949 58.200 0.068 0.000 1.056 75 S CB 0.383 63.644 63.200 0.102 0.000 0.836 75 S HN 1.490 nan 8.310 nan 0.000 0.504 76 T N -1.492 113.089 114.554 0.044 0.000 6.974 76 T HA -0.257 4.109 4.350 0.026 0.000 0.287 76 T C 0.209 174.917 174.700 0.013 0.000 2.146 76 T CA 1.628 63.749 62.100 0.035 0.000 3.451 76 T CB -2.702 66.187 68.868 0.035 0.000 1.630 76 T HN 1.077 nan 8.240 nan 0.000 1.173 77 T N -1.860 112.693 114.554 -0.001 0.000 2.919 77 T HA 0.646 5.012 4.350 0.026 0.000 0.282 77 T C -0.329 174.360 174.700 -0.020 0.000 1.020 77 T CA -0.312 61.784 62.100 -0.007 0.000 0.994 77 T CB 2.029 70.893 68.868 -0.006 0.000 1.180 77 T HN 0.081 nan 8.240 nan 0.000 0.566 78 D N 1.032 121.438 120.400 0.010 0.000 2.615 78 D HA 0.203 4.858 4.640 0.026 0.000 0.236 78 D C -0.317 176.026 176.300 0.071 0.000 1.233 78 D CA -0.093 53.938 54.000 0.052 0.000 0.829 78 D CB 0.352 41.211 40.800 0.098 0.000 1.024 78 D HN 0.494 nan 8.370 nan 0.000 0.490 79 T N 0.757 115.302 114.554 -0.015 0.000 2.771 79 T HA 0.251 4.617 4.350 0.026 0.000 0.291 79 T C -0.316 174.321 174.700 -0.106 0.000 0.954 79 T CA -0.148 61.969 62.100 0.029 0.000 1.045 79 T CB 0.687 69.580 68.868 0.042 0.000 0.917 79 T HN -0.033 nan 8.240 nan 0.000 0.484 80 Y N 2.423 122.760 120.300 0.062 0.000 2.335 80 Y HA 0.558 5.123 4.550 0.025 0.000 0.338 80 Y C 0.283 176.224 175.900 0.068 0.000 0.977 80 Y CA -0.824 57.313 58.100 0.062 0.000 1.114 80 Y CB 1.369 39.842 38.460 0.022 0.000 1.182 80 Y HN 0.472 nan 8.280 nan 0.000 0.463 81 V N -0.621 119.415 119.914 0.203 0.000 3.078 81 V HA 0.562 4.697 4.120 0.026 0.000 0.311 81 V C -0.493 175.711 176.094 0.183 0.000 1.138 81 V CA -1.516 60.885 62.300 0.168 0.000 1.007 81 V CB 1.882 33.796 31.823 0.152 0.000 1.045 81 V HN 0.698 nan 8.190 nan 0.000 0.432 82 E N 1.554 121.833 120.200 0.133 0.000 2.418 82 E HA 0.233 4.598 4.350 0.026 0.000 0.261 82 E C 1.327 178.072 176.600 0.242 0.000 1.070 82 E CA 0.413 56.897 56.400 0.140 0.000 0.931 82 E CB 1.099 30.831 29.700 0.053 0.000 0.954 82 E HN 1.031 nan 8.360 nan 0.000 0.439 83 G N 2.704 111.721 108.800 0.362 0.000 2.448 83 G HA2 -0.270 3.705 3.960 0.026 0.000 0.219 83 G HA3 -0.270 3.705 3.960 0.026 0.000 0.219 83 G C 0.706 175.736 174.900 0.217 0.000 1.127 83 G CA 0.840 46.143 45.100 0.339 0.000 0.766 83 G HN 0.512 nan 8.290 nan 0.000 0.552 84 D N 0.962 121.489 120.400 0.210 0.000 2.218 84 D HA -0.045 4.611 4.640 0.026 0.000 0.204 84 D C 1.475 177.909 176.300 0.223 0.000 0.976 84 D CA 0.993 55.139 54.000 0.244 0.000 0.853 84 D CB -0.025 40.932 40.800 0.263 0.000 0.939 84 D HN 0.175 nan 8.370 nan 0.000 0.481 85 D N -0.267 120.238 120.400 0.174 0.000 2.363 85 D HA 0.008 4.663 4.640 0.026 0.000 0.220 85 D C 1.342 177.727 176.300 0.141 0.000 0.994 85 D CA 0.401 54.490 54.000 0.149 0.000 0.890 85 D CB 0.122 40.998 40.800 0.127 0.000 0.906 85 D HN 0.300 nan 8.370 nan 0.000 0.530 86 L N -0.262 121.048 121.223 0.146 0.000 2.728 86 L HA 0.098 4.453 4.340 0.026 0.000 0.238 86 L C 0.823 177.760 176.870 0.111 0.000 1.143 86 L CA -0.303 54.607 54.840 0.116 0.000 0.937 86 L CB 0.120 42.249 42.059 0.116 0.000 1.225 86 L HN 0.057 nan 8.230 nan 0.000 0.507 87 H N 0.975 120.079 119.070 0.055 0.000 2.886 87 H HA -0.065 4.506 4.556 0.026 0.000 0.329 87 H C 0.987 176.317 175.328 0.003 0.000 1.044 87 H CA 0.055 56.123 56.048 0.033 0.000 1.456 87 H CB 1.054 30.805 29.762 -0.019 0.000 1.464 87 H HN 0.256 nan 8.280 nan 0.000 0.573 88 F N 3.770 123.740 119.950 0.032 0.000 2.161 88 F HA -0.162 4.380 4.527 0.026 0.000 0.300 88 F C 1.740 177.638 175.800 0.164 0.000 1.089 88 F CA 0.867 58.899 58.000 0.053 0.000 1.282 88 F CB -1.044 37.948 39.000 -0.014 0.000 1.010 88 F HN 0.246 nan 8.300 nan 0.000 0.485 89 V N 1.541 121.167 119.914 -0.479 0.000 2.392 89 V HA -0.287 3.848 4.120 0.026 0.000 0.249 89 V C 1.531 177.522 176.094 -0.171 0.000 1.059 89 V CA 2.187 64.210 62.300 -0.461 0.000 1.051 89 V CB -0.880 30.555 31.823 -0.648 0.000 0.658 89 V HN 0.430 nan 8.190 nan 0.000 0.455 90 N N 0.434 119.084 118.700 -0.083 0.000 2.322 90 N HA 0.049 4.804 4.740 0.026 0.000 0.194 90 N C 0.251 175.788 175.510 0.045 0.000 1.126 90 N CA 0.215 53.255 53.050 -0.017 0.000 0.845 90 N CB -0.083 38.424 38.487 0.033 0.000 0.976 90 N HN 0.403 nan 8.380 nan 0.000 0.475 91 N N 0.297 119.028 118.700 0.053 0.000 2.577 91 N HA 0.254 5.009 4.740 0.026 0.000 0.275 91 N C 0.034 175.569 175.510 0.041 0.000 1.091 91 N CA -0.195 52.888 53.050 0.055 0.000 0.843 91 N CB 1.450 39.962 38.487 0.041 0.000 1.295 91 N HN -0.064 nan 8.380 nan 0.000 0.530 92 A N 2.845 125.699 122.820 0.057 0.000 2.014 92 A HA 0.077 4.413 4.320 0.026 0.000 0.218 92 A C 2.000 179.488 177.584 -0.159 0.000 1.163 92 A CA 1.604 53.686 52.037 0.075 0.000 0.652 92 A CB -0.263 18.876 19.000 0.232 0.000 0.808 92 A HN 0.678 nan 8.150 nan 0.000 0.449 93 A N -0.151 122.382 122.820 -0.479 0.000 1.902 93 A HA -0.136 4.199 4.320 0.026 0.000 0.217 93 A C 2.225 179.674 177.584 -0.224 0.000 1.181 93 A CA 1.789 53.230 52.037 -0.994 0.000 0.623 93 A CB -0.527 18.102 19.000 -0.618 0.000 0.818 93 A HN 0.528 nan 8.150 nan 0.000 0.443 94 M N -1.160 118.386 119.600 -0.091 0.000 2.132 94 M HA -0.212 4.284 4.480 0.026 0.000 0.263 94 M C 2.456 178.765 176.300 0.014 0.000 1.065 94 M CA 1.657 56.909 55.300 -0.081 0.000 1.122 94 M CB -0.434 32.077 32.600 -0.148 0.000 1.365 94 M HN 0.489 nan 8.290 nan 0.000 0.411 95 Q N -0.133 119.719 119.800 0.088 0.000 2.050 95 Q HA -0.252 4.103 4.340 0.026 0.000 0.202 95 Q C 2.115 178.207 176.000 0.153 0.000 0.980 95 Q CA 1.556 57.470 55.803 0.186 0.000 0.840 95 Q CB -0.153 28.706 28.738 0.201 0.000 0.898 95 Q HN 0.372 nan 8.270 nan 0.000 0.424 96 Q N 0.460 120.323 119.800 0.105 0.000 2.119 96 Q HA -0.111 4.244 4.340 0.026 0.000 0.201 96 Q C 1.852 177.918 176.000 0.111 0.000 0.972 96 Q CA 1.291 57.202 55.803 0.180 0.000 0.847 96 Q CB -0.112 28.865 28.738 0.398 0.000 0.903 96 Q HN 0.346 nan 8.270 nan 0.000 0.433 97 M N -1.085 118.433 119.600 -0.137 0.000 2.082 97 M HA -0.226 4.269 4.480 0.026 0.000 0.258 97 M C 1.898 178.214 176.300 0.027 0.000 1.069 97 M CA 2.034 57.033 55.300 -0.503 0.000 1.102 97 M CB -0.538 31.384 32.600 -1.129 0.000 1.336 97 M HN 0.593 nan 8.290 nan 0.000 0.404 98 W N 1.217 122.468 121.300 -0.082 0.000 2.358 98 W HA -0.236 4.439 4.660 0.026 0.000 0.303 98 W C 1.376 177.936 176.519 0.068 0.000 1.208 98 W CA 1.258 58.600 57.345 -0.005 0.000 1.274 98 W CB -0.313 29.149 29.460 0.004 0.000 1.138 98 W HN 0.282 nan 8.180 nan 0.000 0.515 99 D N 0.820 121.127 120.400 -0.155 0.000 2.144 99 D HA -0.194 4.462 4.640 0.026 0.000 0.199 99 D C 1.499 177.694 176.300 -0.174 0.000 0.984 99 D CA 1.702 55.541 54.000 -0.267 0.000 0.834 99 D CB -0.690 40.071 40.800 -0.066 0.000 0.955 99 D HN 0.144 nan 8.370 nan 0.000 0.465 100 D N 0.027 120.454 120.400 0.046 0.000 2.144 100 D HA -0.062 4.594 4.640 0.026 0.000 0.199 100 D C 2.235 178.655 176.300 0.200 0.000 0.984 100 D CA 0.398 54.518 54.000 0.200 0.000 0.834 100 D CB -0.127 40.975 40.800 0.504 0.000 0.955 100 D HN 0.289 nan 8.370 nan 0.000 0.465 101 I N 0.057 120.706 120.570 0.132 0.000 2.233 101 I HA -0.147 4.038 4.170 0.026 0.000 0.243 101 I C 2.510 178.519 176.117 -0.181 0.000 1.093 101 I CA 0.621 61.965 61.300 0.073 0.000 1.380 101 I CB -0.158 37.890 38.000 0.081 0.000 1.067 101 I HN -0.121 nan 8.210 nan 0.000 0.413 102 R N 1.852 121.949 120.500 -0.671 0.000 2.120 102 R HA -0.154 4.201 4.340 0.026 0.000 0.234 102 R C 2.203 178.320 176.300 -0.306 0.000 1.123 102 R CA 1.350 57.013 56.100 -0.729 0.000 0.975 102 R CB -0.098 29.515 30.300 -1.146 0.000 0.866 102 R HN 0.400 nan 8.270 nan 0.000 0.446 103 R N -0.657 119.689 120.500 -0.257 0.000 2.359 103 R HA 0.133 4.488 4.340 0.026 0.000 0.231 103 R C -0.596 175.612 176.300 -0.153 0.000 0.913 103 R CA 0.155 56.137 56.100 -0.196 0.000 1.075 103 R CB 0.419 30.592 30.300 -0.211 0.000 1.087 103 R HN -0.095 nan 8.270 nan 0.000 0.515 104 T N 1.798 116.292 114.554 -0.102 0.000 2.824 104 T HA 0.471 4.836 4.350 0.026 0.000 0.280 104 T C -0.598 174.078 174.700 -0.040 0.000 0.995 104 T CA -0.525 61.512 62.100 -0.104 0.000 1.009 104 T CB 1.891 70.690 68.868 -0.115 0.000 0.955 104 T HN 0.186 nan 8.240 nan 0.000 0.452 105 V N 1.038 120.914 119.914 -0.064 0.000 2.971 105 V HA 0.699 4.834 4.120 0.026 0.000 0.309 105 V C -0.958 175.110 176.094 -0.045 0.000 1.130 105 V CA -1.214 61.058 62.300 -0.045 0.000 0.964 105 V CB 1.731 33.520 31.823 -0.058 0.000 1.029 105 V HN 0.827 nan 8.190 nan 0.000 0.427 106 I N 3.018 123.571 120.570 -0.029 0.000 2.354 106 I HA 0.704 4.889 4.170 0.026 0.000 0.292 106 I C -0.852 175.317 176.117 0.086 0.000 0.989 106 I CA -0.852 60.468 61.300 0.034 0.000 1.188 106 I CB 1.946 39.955 38.000 0.015 0.000 1.342 106 I HN 0.475 nan 8.210 nan 0.000 0.457 107 V N 5.129 125.117 119.914 0.123 0.000 2.524 107 V HA 0.472 4.607 4.120 0.026 0.000 0.297 107 V C 0.534 176.600 176.094 -0.047 0.000 1.035 107 V CA -0.722 61.610 62.300 0.054 0.000 0.867 107 V CB 1.577 33.393 31.823 -0.012 0.000 1.004 107 V HN 0.887 nan 8.190 nan 0.000 0.426 108 G N 2.731 111.372 108.800 -0.264 0.000 2.594 108 G HA2 0.444 4.420 3.960 0.026 0.000 0.243 108 G HA3 0.444 4.420 3.960 0.026 0.000 0.243 108 G C 0.338 174.837 174.900 -0.669 0.000 1.229 108 G CA -0.295 44.218 45.100 -0.977 0.000 0.843 108 G HN 0.723 nan 8.290 nan 0.000 0.578 109 L N 1.032 121.774 121.223 -0.801 0.000 2.808 109 L HA 0.132 4.488 4.340 0.026 0.000 0.246 109 L C 1.815 178.180 176.870 -0.842 0.000 1.153 109 L CA -0.254 54.113 54.840 -0.789 0.000 0.956 109 L CB 0.069 41.587 42.059 -0.902 0.000 1.270 109 L HN 0.486 nan 8.230 nan 0.000 0.528 110 N N -0.233 118.020 118.700 -0.744 0.000 2.109 110 N HA -0.150 4.605 4.740 0.026 0.000 0.188 110 N C 1.574 176.907 175.510 -0.296 0.000 1.034 110 N CA 1.312 54.055 53.050 -0.510 0.000 0.846 110 N CB -0.186 37.968 38.487 -0.556 0.000 1.010 110 N HN 0.356 nan 8.380 nan 0.000 0.425 111 H N 1.374 120.264 119.070 -0.300 0.000 2.353 111 H HA 0.092 4.663 4.556 0.026 0.000 0.300 111 H C 2.123 177.311 175.328 -0.234 0.000 1.090 111 H CA 1.112 57.027 56.048 -0.221 0.000 1.327 111 H CB -0.628 29.023 29.762 -0.184 0.000 1.383 111 H HN 0.241 nan 8.280 nan 0.000 0.508 112 A N 0.845 123.580 122.820 -0.142 0.000 1.883 112 A HA -0.223 4.112 4.320 0.026 0.000 0.217 112 A C 2.080 179.646 177.584 -0.029 0.000 1.186 112 A CA 1.785 53.769 52.037 -0.089 0.000 0.624 112 A CB -1.042 17.934 19.000 -0.039 0.000 0.822 112 A HN 0.607 nan 8.150 nan 0.000 0.444 113 H N -0.925 118.045 119.070 -0.166 0.000 2.387 113 H HA -0.027 4.545 4.556 0.026 0.000 0.299 113 H C 2.420 177.657 175.328 -0.152 0.000 1.090 113 H CA 0.635 56.569 56.048 -0.190 0.000 1.332 113 H CB 0.024 29.675 29.762 -0.184 0.000 1.386 113 H HN 0.580 nan 8.280 nan 0.000 0.516 114 A N 0.646 123.460 122.820 -0.010 0.000 2.015 114 A HA -0.086 4.249 4.320 0.026 0.000 0.219 114 A C 2.550 180.069 177.584 -0.108 0.000 1.163 114 A CA 0.930 52.936 52.037 -0.052 0.000 0.646 114 A CB -0.520 18.457 19.000 -0.038 0.000 0.806 114 A HN 0.191 nan 8.150 nan 0.000 0.448 115 V N 0.229 120.028 119.914 -0.190 0.000 2.343 115 V HA -0.289 3.846 4.120 0.026 0.000 0.247 115 V C 2.389 178.392 176.094 -0.151 0.000 1.051 115 V CA 2.108 64.230 62.300 -0.295 0.000 1.036 115 V CB -0.702 30.672 31.823 -0.749 0.000 0.654 115 V HN 0.586 nan 8.190 nan 0.000 0.451 116 I N -0.174 120.354 120.570 -0.070 0.000 2.179 116 I HA -0.244 3.942 4.170 0.026 0.000 0.242 116 I C 2.578 178.668 176.117 -0.046 0.000 1.088 116 I CA 1.813 63.094 61.300 -0.032 0.000 1.357 116 I CB -0.340 37.541 38.000 -0.199 0.000 1.051 116 I HN 0.373 nan 8.210 nan 0.000 0.409 117 E N 0.496 120.659 120.200 -0.062 0.000 2.112 117 E HA -0.157 4.208 4.350 0.026 0.000 0.190 117 E C 2.054 178.630 176.600 -0.040 0.000 0.979 117 E CA 0.910 57.282 56.400 -0.046 0.000 0.814 117 E CB 0.105 29.776 29.700 -0.048 0.000 0.762 117 E HN 0.483 nan 8.360 nan 0.000 0.460 118 K N 0.038 120.406 120.400 -0.052 0.000 2.276 118 K HA 0.100 4.436 4.320 0.026 0.000 0.198 118 K C 2.133 178.702 176.600 -0.052 0.000 1.052 118 K CA 0.199 56.456 56.287 -0.051 0.000 0.984 118 K CB 0.275 32.739 32.500 -0.061 0.000 0.836 118 K HN -0.124 nan 8.250 nan 0.000 0.490 119 R N 0.599 121.061 120.500 -0.063 0.000 2.123 119 R HA 0.188 4.543 4.340 0.026 0.000 0.209 119 R C 1.851 178.138 176.300 -0.022 0.000 1.078 119 R CA 0.420 56.486 56.100 -0.056 0.000 1.028 119 R CB 0.312 30.559 30.300 -0.088 0.000 0.939 119 R HN 0.052 nan 8.270 nan 0.000 0.463 120 L N -1.009 120.211 121.223 -0.005 0.000 2.416 120 L HA 0.285 4.640 4.340 0.026 0.000 0.216 120 L C 0.974 177.855 176.870 0.019 0.000 1.098 120 L CA 0.617 55.473 54.840 0.028 0.000 0.840 120 L CB 0.426 42.529 42.059 0.072 0.000 0.981 120 L HN 0.559 nan 8.230 nan 0.000 0.462 121 G N 1.167 109.969 108.800 0.004 0.000 2.137 121 G HA2 -0.258 3.718 3.960 0.026 0.000 0.237 121 G HA3 -0.258 3.718 3.960 0.026 0.000 0.237 121 G C 0.101 175.007 174.900 0.010 0.000 1.002 121 G CA 0.147 45.248 45.100 0.001 0.000 0.702 121 G HN 0.321 nan 8.290 nan 0.000 0.515 122 K N 0.107 120.518 120.400 0.017 0.000 2.211 122 K HA 0.579 4.915 4.320 0.026 0.000 0.237 122 K C 0.502 177.113 176.600 0.019 0.000 1.002 122 K CA -0.571 55.738 56.287 0.037 0.000 0.885 122 K CB 1.092 33.645 32.500 0.088 0.000 1.136 122 K HN 0.509 nan 8.250 nan 0.000 0.448 123 E N -0.188 120.034 120.200 0.037 0.000 2.248 123 E HA 0.400 4.765 4.350 0.026 0.000 0.272 123 E C -1.044 175.574 176.600 0.031 0.000 1.008 123 E CA -0.945 55.463 56.400 0.013 0.000 0.856 123 E CB 1.427 31.134 29.700 0.011 0.000 1.120 123 E HN 0.024 nan 8.360 nan 0.000 0.397 124 V N 2.426 122.307 119.914 -0.055 0.000 2.448 124 V HA 0.488 4.624 4.120 0.026 0.000 0.295 124 V C -0.068 175.964 176.094 -0.103 0.000 1.025 124 V CA -0.196 62.029 62.300 -0.125 0.000 0.859 124 V CB 1.342 32.897 31.823 -0.446 0.000 0.988 124 V HN 0.994 nan 8.190 nan 0.000 0.431 125 T N 2.500 117.025 114.554 -0.049 0.000 2.838 125 T HA 0.531 4.897 4.350 0.026 0.000 0.292 125 T C -2.445 172.251 174.700 -0.007 0.000 1.113 125 T CA -1.977 60.105 62.100 -0.031 0.000 1.008 125 T CB 2.249 71.113 68.868 -0.006 0.000 1.259 125 T HN 0.259 nan 8.240 nan 0.000 0.520 126 P HA -0.031 nan 4.420 nan 0.000 0.216 126 P C 1.408 178.744 177.300 0.061 0.000 1.150 126 P CA 1.060 64.187 63.100 0.045 0.000 0.837 126 P CB 0.125 31.852 31.700 0.045 0.000 0.786 127 E N -0.791 119.435 120.200 0.042 0.000 2.058 127 E HA -0.177 4.188 4.350 0.026 0.000 0.194 127 E C 1.998 178.625 176.600 0.046 0.000 0.997 127 E CA 2.130 58.554 56.400 0.040 0.000 0.801 127 E CB -0.504 29.202 29.700 0.010 0.000 0.746 127 E HN 0.370 nan 8.360 nan 0.000 0.450 128 T N -0.625 113.949 114.554 0.033 0.000 2.821 128 T HA -0.099 4.266 4.350 0.026 0.000 0.267 128 T C 1.995 176.759 174.700 0.106 0.000 1.046 128 T CA 0.811 62.923 62.100 0.020 0.000 1.139 128 T CB -0.404 68.497 68.868 0.054 0.000 0.871 128 T HN 0.065 nan 8.240 nan 0.000 0.454 129 I N 1.606 122.256 120.570 0.133 0.000 2.179 129 I HA -0.159 4.026 4.170 0.026 0.000 0.242 129 I C 2.956 179.165 176.117 0.154 0.000 1.088 129 I CA 1.514 62.930 61.300 0.194 0.000 1.357 129 I CB -0.825 37.267 38.000 0.153 0.000 1.051 129 I HN 0.278 nan 8.210 nan 0.000 0.409 130 T N -1.037 113.582 114.554 0.108 0.000 2.746 130 T HA -0.271 4.094 4.350 0.026 0.000 0.267 130 T C 1.876 176.585 174.700 0.016 0.000 1.039 130 T CA 1.846 63.991 62.100 0.075 0.000 1.142 130 T CB -0.429 68.530 68.868 0.151 0.000 0.866 130 T HN 0.427 nan 8.240 nan 0.000 0.444 131 H N 0.019 119.068 119.070 -0.036 0.000 2.321 131 H HA -0.121 4.450 4.556 0.026 0.000 0.300 131 H C 2.014 177.274 175.328 -0.113 0.000 1.087 131 H CA 1.829 57.829 56.048 -0.081 0.000 1.319 131 H CB -0.586 29.110 29.762 -0.110 0.000 1.379 131 H HN 0.472 nan 8.280 nan 0.000 0.501 132 Y N 0.543 120.699 120.300 -0.241 0.000 2.165 132 Y HA -0.214 4.351 4.550 0.025 0.000 0.286 132 Y C 2.100 177.825 175.900 -0.292 0.000 1.155 132 Y CA 1.943 59.896 58.100 -0.245 0.000 1.164 132 Y CB -0.477 37.975 38.460 -0.014 0.000 0.978 132 Y HN 0.253 nan 8.280 nan 0.000 0.513 133 L N 0.094 121.017 121.223 -0.500 0.000 2.156 133 L HA -0.148 4.207 4.340 0.026 0.000 0.208 133 L C 2.555 178.856 176.870 -0.949 0.000 1.095 133 L CA 1.682 56.002 54.840 -0.867 0.000 0.770 133 L CB -0.590 40.795 42.059 -1.124 0.000 0.914 133 L HN 0.295 nan 8.230 nan 0.000 0.439 134 E N -0.029 119.776 120.200 -0.658 0.000 2.077 134 E HA -0.207 4.158 4.350 0.026 0.000 0.193 134 E C 1.943 178.390 176.600 -0.254 0.000 0.989 134 E CA 1.834 58.082 56.400 -0.254 0.000 0.800 134 E CB 0.101 29.774 29.700 -0.045 0.000 0.746 134 E HN 0.376 nan 8.360 nan 0.000 0.452 135 T N 0.274 114.589 114.554 -0.399 0.000 2.708 135 T HA -0.148 4.218 4.350 0.026 0.000 0.266 135 T C 1.822 176.360 174.700 -0.270 0.000 1.037 135 T CA 1.280 63.179 62.100 -0.335 0.000 1.146 135 T CB -0.300 68.317 68.868 -0.418 0.000 0.865 135 T HN 0.091 nan 8.240 nan 0.000 0.435 136 V N 2.036 121.667 119.914 -0.472 0.000 2.871 136 V HA -0.025 4.110 4.120 0.026 0.000 0.256 136 V C 1.950 177.941 176.094 -0.171 0.000 1.082 136 V CA 1.230 63.307 62.300 -0.372 0.000 1.105 136 V CB -0.524 30.921 31.823 -0.631 0.000 0.713 136 V HN 0.440 nan 8.190 nan 0.000 0.473 137 N N -0.598 118.023 118.700 -0.132 0.000 2.457 137 N HA -0.119 4.637 4.740 0.026 0.000 0.180 137 N C 1.604 177.165 175.510 0.086 0.000 1.050 137 N CA 1.202 54.276 53.050 0.040 0.000 0.906 137 N CB -0.051 38.533 38.487 0.162 0.000 0.968 137 N HN 0.748 nan 8.380 nan 0.000 0.445 138 H N 0.771 119.818 119.070 -0.037 0.000 2.343 138 H HA 0.158 4.730 4.556 0.026 0.000 0.303 138 H C 1.927 177.244 175.328 -0.020 0.000 1.068 138 H CA 1.779 57.814 56.048 -0.022 0.000 1.359 138 H CB 0.041 29.775 29.762 -0.047 0.000 1.402 138 H HN 0.119 nan 8.280 nan 0.000 0.515 139 A N 0.492 123.274 122.820 -0.064 0.000 1.897 139 A HA -0.099 4.236 4.320 0.026 0.000 0.215 139 A C 2.384 179.922 177.584 -0.076 0.000 1.181 139 A CA 1.595 53.563 52.037 -0.115 0.000 0.620 139 A CB -0.722 18.238 19.000 -0.067 0.000 0.821 139 A HN 0.530 nan 8.150 nan 0.000 0.443 140 M N 0.338 119.933 119.600 -0.008 0.000 2.106 140 M HA -0.072 4.423 4.480 0.026 0.000 0.259 140 M C -1.189 175.275 176.300 0.274 0.000 1.068 140 M CA 1.742 57.111 55.300 0.116 0.000 1.100 140 M CB -1.102 31.556 32.600 0.096 0.000 1.351 140 M HN 0.163 nan 8.290 nan 0.000 0.404 141 P HA 0.146 nan 4.420 nan 0.000 0.226 141 P C 0.195 177.661 177.300 0.276 0.000 1.153 141 P CA 1.639 64.861 63.100 0.203 0.000 0.777 141 P CB 0.002 31.760 31.700 0.097 0.000 0.794 142 G N -1.906 106.972 108.800 0.131 0.000 2.441 142 G HA2 0.200 4.175 3.960 0.026 0.000 0.139 142 G HA3 0.200 4.175 3.960 0.026 0.000 0.139 142 G C -0.173 174.681 174.900 -0.077 0.000 1.067 142 G CA -0.329 44.799 45.100 0.047 0.000 0.766 142 G HN 0.517 nan 8.290 nan 0.000 0.484 143 A N -0.676 122.026 122.820 -0.197 0.000 2.430 143 A HA 1.093 5.428 4.320 0.026 0.000 0.300 143 A C 0.318 177.788 177.584 -0.189 0.000 1.124 143 A CA 0.160 52.027 52.037 -0.283 0.000 0.766 143 A CB 1.580 20.195 19.000 -0.641 0.000 1.328 143 A HN 2.084 nan 8.150 nan 0.000 0.424 144 A N -0.317 122.501 122.820 -0.005 0.000 2.303 144 A HA 0.612 4.947 4.320 0.026 0.000 0.317 144 A C 0.669 178.348 177.584 0.158 0.000 1.149 144 A CA 0.207 52.279 52.037 0.058 0.000 0.822 144 A CB 0.681 19.700 19.000 0.031 0.000 1.131 144 A HN 1.977 nan 8.150 nan 0.000 0.493 145 V N -0.480 119.475 119.914 0.068 0.000 3.497 145 V HA 0.215 4.350 4.120 0.026 0.000 0.272 145 V C 0.727 176.823 176.094 0.003 0.000 1.474 145 V CA 0.806 63.127 62.300 0.035 0.000 1.025 145 V CB -0.389 31.445 31.823 0.019 0.000 0.820 145 V HN 0.496 nan 8.190 nan 0.000 0.437 146 V N -0.622 119.294 119.914 0.004 0.000 3.161 146 V HA 0.249 4.384 4.120 0.026 0.000 0.221 146 V C 0.940 177.037 176.094 0.005 0.000 1.296 146 V CA 0.441 62.741 62.300 -0.000 0.000 1.306 146 V CB 0.382 32.203 31.823 -0.003 0.000 1.171 146 V HN 0.428 nan 8.190 nan 0.000 0.513 147 Q N 0.935 120.739 119.800 0.008 0.000 2.354 147 Q HA 0.289 4.645 4.340 0.026 0.000 0.244 147 Q C -0.325 175.690 176.000 0.024 0.000 0.969 147 Q CA -0.076 55.736 55.803 0.015 0.000 0.885 147 Q CB 1.261 30.009 28.738 0.016 0.000 1.241 147 Q HN 0.386 nan 8.270 nan 0.000 0.461 148 E N 1.009 121.232 120.200 0.037 0.000 2.349 148 E HA -0.024 4.342 4.350 0.026 0.000 0.265 148 E C -0.655 176.014 176.600 0.115 0.000 1.064 148 E CA -0.055 56.379 56.400 0.056 0.000 0.886 148 E CB 0.427 30.163 29.700 0.060 0.000 1.036 148 E HN 0.630 nan 8.360 nan 0.000 0.413 149 H N 2.763 121.833 119.070 -0.001 0.000 2.826 149 H HA -0.136 4.435 4.556 0.026 0.000 0.306 149 H C -0.885 174.442 175.328 -0.002 0.000 1.235 149 H CA 0.657 56.705 56.048 -0.001 0.000 1.150 149 H CB -0.664 29.098 29.762 -0.001 0.000 1.409 149 H HN 0.384 nan 8.280 nan 0.000 0.420 150 M N 0.940 120.549 119.600 0.015 0.000 2.249 150 M HA 0.308 4.804 4.480 0.026 0.000 0.351 150 M C 0.908 177.187 176.300 -0.036 0.000 1.180 150 M CA -0.515 54.790 55.300 0.009 0.000 1.127 150 M CB 1.460 34.060 32.600 0.000 0.000 1.546 150 M HN 0.137 nan 8.290 nan 0.000 0.461 151 V N 0.493 120.402 119.914 -0.010 0.000 2.732 151 V HA 0.733 4.869 4.120 0.026 0.000 0.310 151 V C -0.375 175.710 176.094 -0.014 0.000 1.053 151 V CA -0.679 61.608 62.300 -0.020 0.000 0.957 151 V CB 1.874 33.700 31.823 0.005 0.000 1.018 151 V HN 0.889 nan 8.190 nan 0.000 0.452 152 E N 0.734 120.926 120.200 -0.014 0.000 2.416 152 E HA 0.531 4.896 4.350 0.026 0.000 0.273 152 E C -0.715 175.896 176.600 0.018 0.000 0.935 152 E CA -0.816 55.575 56.400 -0.014 0.000 0.784 152 E CB 2.262 31.940 29.700 -0.037 0.000 1.301 152 E HN 0.999 nan 8.360 nan 0.000 0.454 153 T N -1.195 113.383 114.554 0.041 0.000 2.898 153 T HA 0.035 4.400 4.350 0.026 0.000 0.301 153 T C 0.227 174.983 174.700 0.094 0.000 1.049 153 T CA -0.582 61.575 62.100 0.095 0.000 1.095 153 T CB 0.615 69.569 68.868 0.144 0.000 0.976 153 T HN 0.387 nan 8.240 nan 0.000 0.539 154 H N 3.622 122.711 119.070 0.032 0.000 3.026 154 H HA 0.172 4.743 4.556 0.026 0.000 0.289 154 H C -1.821 173.522 175.328 0.025 0.000 1.022 154 H CA -2.026 54.037 56.048 0.024 0.000 1.477 154 H CB 1.031 30.808 29.762 0.024 0.000 1.510 154 H HN 0.430 nan 8.280 nan 0.000 0.535 155 P HA -0.159 nan 4.420 nan 0.000 0.217 155 P C 1.036 178.458 177.300 0.204 0.000 1.148 155 P CA 2.034 65.230 63.100 0.159 0.000 0.828 155 P CB 0.192 31.941 31.700 0.082 0.000 0.783 156 A N -1.125 121.901 122.820 0.344 0.000 2.014 156 A HA -0.067 4.269 4.320 0.026 0.000 0.218 156 A C 2.086 179.684 177.584 0.022 0.000 1.163 156 A CA 0.975 53.090 52.037 0.131 0.000 0.652 156 A CB -1.371 17.671 19.000 0.069 0.000 0.808 156 A HN 0.136 nan 8.150 nan 0.000 0.449 157 L N -0.233 120.993 121.223 0.004 0.000 2.313 157 L HA -0.039 4.316 4.340 0.026 0.000 0.214 157 L C 1.343 178.225 176.870 0.020 0.000 1.119 157 L CA 0.933 55.760 54.840 -0.022 0.000 0.809 157 L CB 0.054 42.099 42.059 -0.024 0.000 0.933 157 L HN 0.403 nan 8.230 nan 0.000 0.449 158 V N -4.876 115.072 119.914 0.056 0.000 2.940 158 V HA 0.437 4.572 4.120 0.026 0.000 0.366 158 V C 1.485 177.618 176.094 0.064 0.000 1.353 158 V CA 0.214 62.543 62.300 0.048 0.000 1.232 158 V CB -0.002 31.862 31.823 0.069 0.000 1.278 158 V HN 0.115 nan 8.190 nan 0.000 0.546 159 A N 1.554 124.413 122.820 0.065 0.000 2.121 159 A HA -0.103 4.232 4.320 0.026 0.000 0.218 159 A C 1.827 179.477 177.584 0.111 0.000 1.154 159 A CA 1.599 53.684 52.037 0.080 0.000 0.679 159 A CB -0.325 18.711 19.000 0.060 0.000 0.795 159 A HN 0.800 nan 8.150 nan 0.000 0.458 160 D N -0.931 119.530 120.400 0.102 0.000 2.339 160 D HA 0.040 4.696 4.640 0.026 0.000 0.217 160 D C 0.617 177.004 176.300 0.145 0.000 1.050 160 D CA 0.466 54.555 54.000 0.149 0.000 0.856 160 D CB -0.277 40.577 40.800 0.091 0.000 0.922 160 D HN 0.201 nan 8.370 nan 0.000 0.518 161 S N -0.064 115.688 115.700 0.088 0.000 2.513 161 S HA 0.488 4.973 4.470 0.026 0.000 0.276 161 S C -0.902 173.777 174.600 0.132 0.000 1.254 161 S CA -0.644 57.554 58.200 -0.003 0.000 1.053 161 S CB 0.025 63.219 63.200 -0.009 0.000 0.958 161 S HN 0.366 nan 8.310 nan 0.000 0.491 162 Y N 0.848 121.168 120.300 0.033 0.000 2.818 162 Y HA 0.711 5.276 4.550 0.025 0.000 0.341 162 Y C -1.804 174.124 175.900 0.046 0.000 1.283 162 Y CA -1.356 56.775 58.100 0.052 0.000 1.075 162 Y CB 0.663 39.164 38.460 0.069 0.000 1.370 162 Y HN 0.253 nan 8.280 nan 0.000 0.448 163 V N 1.707 121.811 119.914 0.315 0.000 2.569 163 V HA 0.520 4.656 4.120 0.026 0.000 0.301 163 V C -0.672 175.611 176.094 0.316 0.000 1.044 163 V CA -1.023 61.387 62.300 0.183 0.000 0.874 163 V CB 1.607 33.458 31.823 0.045 0.000 1.002 163 V HN 0.755 nan 8.190 nan 0.000 0.424 164 K N 2.419 123.000 120.400 0.303 0.000 2.306 164 K HA 0.901 5.236 4.320 0.026 0.000 0.236 164 K C -0.932 175.794 176.600 0.211 0.000 1.013 164 K CA -0.840 55.629 56.287 0.302 0.000 0.857 164 K CB 2.659 35.352 32.500 0.321 0.000 1.214 164 K HN 0.577 nan 8.250 nan 0.000 0.449 165 V N -1.409 118.633 119.914 0.214 0.000 3.074 165 V HA 0.808 4.943 4.120 0.026 0.000 0.314 165 V C -1.057 175.172 176.094 0.225 0.000 1.117 165 V CA -0.869 61.507 62.300 0.127 0.000 1.014 165 V CB 1.165 33.032 31.823 0.072 0.000 1.057 165 V HN 0.772 nan 8.190 nan 0.000 0.438 166 F N -0.720 119.316 119.950 0.144 0.000 2.626 166 F HA 0.955 5.498 4.527 0.026 0.000 0.311 166 F C -0.465 175.422 175.800 0.145 0.000 1.088 166 F CA -0.408 57.669 58.000 0.127 0.000 0.949 166 F CB 1.707 40.766 39.000 0.098 0.000 1.322 166 F HN 0.902 nan 8.300 nan 0.000 0.461 167 T N -0.503 114.258 114.554 0.345 0.000 2.886 167 T HA 0.474 4.839 4.350 0.026 0.000 0.330 167 T C 0.319 175.145 174.700 0.211 0.000 1.488 167 T CA -0.060 62.183 62.100 0.238 0.000 1.054 167 T CB 1.358 70.298 68.868 0.120 0.000 1.348 167 T HN 1.211 nan 8.240 nan 0.000 0.489 168 G N 1.997 110.897 108.800 0.167 0.000 2.712 168 G HA2 0.078 4.053 3.960 0.026 0.000 0.212 168 G HA3 0.078 4.053 3.960 0.026 0.000 0.212 168 G C 0.625 175.574 174.900 0.081 0.000 1.142 168 G CA -0.132 45.032 45.100 0.107 0.000 0.789 168 G HN 0.671 nan 8.290 nan 0.000 0.535 169 N N 1.317 120.066 118.700 0.082 0.000 2.439 169 N HA 0.056 4.811 4.740 0.026 0.000 0.243 169 N C 0.129 175.678 175.510 0.066 0.000 1.088 169 N CA -0.269 52.819 53.050 0.063 0.000 0.940 169 N CB 0.843 39.363 38.487 0.055 0.000 1.180 169 N HN -0.040 nan 8.380 nan 0.000 0.505 170 D N 2.884 123.319 120.400 0.057 0.000 2.144 170 D HA -0.148 4.507 4.640 0.026 0.000 0.199 170 D C 0.961 177.293 176.300 0.053 0.000 0.984 170 D CA 1.415 55.450 54.000 0.058 0.000 0.834 170 D CB 0.448 41.277 40.800 0.048 0.000 0.955 170 D HN 0.606 nan 8.370 nan 0.000 0.465 171 E N 0.457 120.685 120.200 0.045 0.000 2.072 171 E HA -0.055 4.310 4.350 0.026 0.000 0.191 171 E C 2.283 178.910 176.600 0.046 0.000 0.985 171 E CA 0.326 56.750 56.400 0.041 0.000 0.801 171 E CB -0.216 29.503 29.700 0.033 0.000 0.750 171 E HN 0.346 nan 8.360 nan 0.000 0.452 172 I N 0.556 121.156 120.570 0.050 0.000 2.252 172 I HA -0.261 3.924 4.170 0.026 0.000 0.245 172 I C 2.265 178.425 176.117 0.071 0.000 1.102 172 I CA 1.017 62.350 61.300 0.056 0.000 1.385 172 I CB -0.316 37.716 38.000 0.053 0.000 1.064 172 I HN 0.091 nan 8.210 nan 0.000 0.414 173 A N 0.415 123.283 122.820 0.080 0.000 1.883 173 A HA -0.268 4.067 4.320 0.026 0.000 0.217 173 A C 2.005 179.642 177.584 0.088 0.000 1.186 173 A CA 2.113 54.208 52.037 0.097 0.000 0.624 173 A CB -0.670 18.393 19.000 0.104 0.000 0.822 173 A HN 0.327 nan 8.150 nan 0.000 0.444 174 D N -0.268 120.175 120.400 0.070 0.000 2.190 174 D HA -0.128 4.527 4.640 0.026 0.000 0.200 174 D C 1.906 178.241 176.300 0.058 0.000 0.992 174 D CA 1.214 55.249 54.000 0.059 0.000 0.854 174 D CB -0.126 40.702 40.800 0.047 0.000 0.936 174 D HN 0.557 nan 8.370 nan 0.000 0.462 175 E N -0.049 120.188 120.200 0.061 0.000 2.158 175 E HA 0.009 4.375 4.350 0.026 0.000 0.191 175 E C 1.091 177.739 176.600 0.081 0.000 0.982 175 E CA 0.027 56.463 56.400 0.060 0.000 0.823 175 E CB 0.530 30.262 29.700 0.053 0.000 0.766 175 E HN 0.358 nan 8.360 nan 0.000 0.468 176 I N 2.699 123.331 120.570 0.102 0.000 2.696 176 I HA -0.061 4.124 4.170 0.026 0.000 0.284 176 I C 0.835 177.045 176.117 0.155 0.000 1.129 176 I CA -0.341 61.046 61.300 0.146 0.000 1.410 176 I CB 0.318 38.419 38.000 0.168 0.000 1.399 176 I HN -0.136 nan 8.210 nan 0.000 0.579 177 D N 8.462 128.987 120.400 0.207 0.000 2.531 177 D HA -0.034 4.621 4.640 0.026 0.000 0.239 177 D C -1.440 174.905 176.300 0.076 0.000 1.144 177 D CA -1.378 52.703 54.000 0.135 0.000 0.869 177 D CB 1.081 41.984 40.800 0.172 0.000 1.160 177 D HN 0.257 nan 8.370 nan 0.000 0.484 178 P HA -0.082 nan 4.420 nan 0.000 0.230 178 P C 0.959 178.196 177.300 -0.104 0.000 1.158 178 P CA 0.588 63.679 63.100 -0.014 0.000 0.769 178 P CB 0.112 31.805 31.700 -0.012 0.000 0.807 179 A N -0.221 122.435 122.820 -0.272 0.000 1.978 179 A HA -0.142 4.194 4.320 0.026 0.000 0.220 179 A C 1.706 179.050 177.584 -0.400 0.000 1.170 179 A CA 1.286 53.060 52.037 -0.438 0.000 0.636 179 A CB -1.653 16.910 19.000 -0.728 0.000 0.810 179 A HN 0.218 nan 8.150 nan 0.000 0.448 180 F N -1.016 118.947 119.950 0.022 0.000 2.727 180 F HA 0.256 4.798 4.527 0.025 0.000 0.302 180 F C 0.068 175.915 175.800 0.078 0.000 1.097 180 F CA -0.301 57.727 58.000 0.047 0.000 1.330 180 F CB 0.577 39.611 39.000 0.057 0.000 1.084 180 F HN -0.161 nan 8.300 nan 0.000 0.578 181 V N 2.355 122.384 119.914 0.191 0.000 2.417 181 V HA 0.257 4.393 4.120 0.026 0.000 0.291 181 V C 0.174 176.360 176.094 0.155 0.000 1.024 181 V CA -0.984 61.427 62.300 0.186 0.000 0.861 181 V CB 1.914 33.828 31.823 0.153 0.000 0.985 181 V HN 0.039 nan 8.190 nan 0.000 0.436 182 I N 4.110 124.803 120.570 0.205 0.000 2.347 182 I HA 0.145 4.330 4.170 0.026 0.000 0.294 182 I C 0.228 176.447 176.117 0.170 0.000 1.090 182 I CA 0.018 61.423 61.300 0.174 0.000 1.314 182 I CB 0.475 38.593 38.000 0.197 0.000 1.423 182 I HN 0.579 nan 8.210 nan 0.000 0.503 183 D N 7.338 127.812 120.400 0.123 0.000 2.352 183 D HA 0.147 4.803 4.640 0.026 0.000 0.245 183 D C 0.998 177.382 176.300 0.140 0.000 1.224 183 D CA 0.036 54.106 54.000 0.117 0.000 0.879 183 D CB 0.875 41.723 40.800 0.080 0.000 1.057 183 D HN 0.429 nan 8.370 nan 0.000 0.491 184 I N 3.056 123.722 120.570 0.160 0.000 2.315 184 I HA -0.235 3.950 4.170 0.026 0.000 0.248 184 I C 1.876 178.127 176.117 0.223 0.000 1.117 184 I CA 0.458 61.890 61.300 0.220 0.000 1.404 184 I CB -0.089 37.965 38.000 0.091 0.000 1.071 184 I HN 0.393 nan 8.210 nan 0.000 0.419 185 N N 0.900 119.678 118.700 0.130 0.000 2.331 185 N HA -0.177 4.578 4.740 0.026 0.000 0.180 185 N C 1.779 177.340 175.510 0.085 0.000 1.019 185 N CA 0.980 54.090 53.050 0.099 0.000 0.881 185 N CB -0.108 38.419 38.487 0.067 0.000 0.972 185 N HN 0.424 nan 8.380 nan 0.000 0.435 186 K N 0.782 121.226 120.400 0.074 0.000 2.116 186 K HA 0.004 4.339 4.320 0.026 0.000 0.203 186 K C 1.618 178.227 176.600 0.014 0.000 1.052 186 K CA 0.798 57.109 56.287 0.041 0.000 0.952 186 K CB 0.305 32.822 32.500 0.030 0.000 0.729 186 K HN -0.031 nan 8.250 nan 0.000 0.446 187 Q N -0.648 119.156 119.800 0.006 0.000 2.354 187 Q HA 0.072 4.427 4.340 0.026 0.000 0.203 187 Q C -0.265 175.516 176.000 -0.366 0.000 0.933 187 Q CA 0.699 56.391 55.803 -0.185 0.000 0.901 187 Q CB 0.436 29.030 28.738 -0.239 0.000 1.007 187 Q HN 0.136 nan 8.270 nan 0.000 0.495 188 F N 1.746 121.691 119.950 -0.008 0.000 2.495 188 F HA 0.360 4.902 4.527 0.025 0.000 0.327 188 F C -1.825 173.933 175.800 -0.069 0.000 1.103 188 F CA -2.735 55.244 58.000 -0.035 0.000 0.949 188 F CB 1.295 40.269 39.000 -0.044 0.000 1.142 188 F HN -0.138 nan 8.300 nan 0.000 0.457 189 P HA -0.078 nan 4.420 nan 0.000 0.267 189 P C 0.521 177.781 177.300 -0.067 0.000 1.201 189 P CA 0.196 63.213 63.100 -0.138 0.000 0.775 189 P CB 0.902 32.236 31.700 -0.611 0.000 0.854 190 E N 0.968 121.133 120.200 -0.057 0.000 2.058 190 E HA -0.264 4.101 4.350 0.026 0.000 0.194 190 E C 0.900 177.482 176.600 -0.030 0.000 0.997 190 E CA 1.657 58.044 56.400 -0.021 0.000 0.801 190 E CB -0.164 29.530 29.700 -0.011 0.000 0.746 190 E HN 0.348 nan 8.360 nan 0.000 0.450 191 D N 0.349 120.717 120.400 -0.054 0.000 2.117 191 D HA -0.172 4.484 4.640 0.026 0.000 0.197 191 D C 2.061 178.334 176.300 -0.045 0.000 0.987 191 D CA 1.041 55.015 54.000 -0.043 0.000 0.829 191 D CB -0.291 40.482 40.800 -0.045 0.000 0.961 191 D HN 0.343 nan 8.370 nan 0.000 0.460 192 Q N 0.148 119.912 119.800 -0.060 0.000 2.084 192 Q HA -0.072 4.283 4.340 0.026 0.000 0.202 192 Q C 2.240 178.184 176.000 -0.094 0.000 0.978 192 Q CA 1.328 57.102 55.803 -0.049 0.000 0.844 192 Q CB -0.130 28.619 28.738 0.018 0.000 0.898 192 Q HN 0.242 nan 8.270 nan 0.000 0.426 193 A N 1.396 124.193 122.820 -0.038 0.000 1.883 193 A HA -0.282 4.054 4.320 0.026 0.000 0.217 193 A C 1.946 179.494 177.584 -0.059 0.000 1.186 193 A CA 1.755 53.761 52.037 -0.052 0.000 0.624 193 A CB -0.648 18.373 19.000 0.036 0.000 0.822 193 A HN 0.468 nan 8.150 nan 0.000 0.444 194 E N -0.753 119.430 120.200 -0.029 0.000 2.058 194 E HA -0.198 4.168 4.350 0.026 0.000 0.194 194 E C 2.014 178.603 176.600 -0.019 0.000 0.997 194 E CA 1.860 58.250 56.400 -0.017 0.000 0.801 194 E CB -0.262 29.435 29.700 -0.006 0.000 0.746 194 E HN 0.560 nan 8.360 nan 0.000 0.450 195 T N 1.549 116.092 114.554 -0.019 0.000 2.635 195 T HA -0.196 4.169 4.350 0.026 0.000 0.267 195 T C 1.927 176.621 174.700 -0.010 0.000 1.040 195 T CA 1.643 63.750 62.100 0.011 0.000 1.156 195 T CB -0.328 68.561 68.868 0.035 0.000 0.863 195 T HN 0.161 nan 8.240 nan 0.000 0.430 196 L N 0.353 121.516 121.223 -0.100 0.000 2.046 196 L HA -0.109 4.246 4.340 0.026 0.000 0.208 196 L C 2.711 179.498 176.870 -0.139 0.000 1.077 196 L CA 1.423 56.142 54.840 -0.203 0.000 0.747 196 L CB -0.453 41.343 42.059 -0.438 0.000 0.896 196 L HN 0.226 nan 8.230 nan 0.000 0.432 197 K N -0.035 120.313 120.400 -0.087 0.000 2.057 197 K HA -0.131 4.204 4.320 0.026 0.000 0.207 197 K C 2.255 178.854 176.600 -0.002 0.000 1.049 197 K CA 1.269 57.543 56.287 -0.023 0.000 0.931 197 K CB -0.285 32.216 32.500 0.001 0.000 0.714 197 K HN 0.281 nan 8.250 nan 0.000 0.440 198 A N 1.939 124.756 122.820 -0.004 0.000 1.908 198 A HA -0.212 4.124 4.320 0.026 0.000 0.218 198 A C 1.967 179.553 177.584 0.004 0.000 1.181 198 A CA 1.541 53.584 52.037 0.010 0.000 0.627 198 A CB -0.289 18.721 19.000 0.018 0.000 0.818 198 A HN 0.191 nan 8.150 nan 0.000 0.445 199 E N -0.258 119.927 120.200 -0.025 0.000 2.077 199 E HA -0.112 4.254 4.350 0.026 0.000 0.193 199 E C 2.205 178.776 176.600 -0.048 0.000 0.989 199 E CA 1.448 57.810 56.400 -0.063 0.000 0.800 199 E CB -0.525 29.062 29.700 -0.188 0.000 0.746 199 E HN 0.432 nan 8.360 nan 0.000 0.452 200 V N 0.017 119.916 119.914 -0.025 0.000 2.488 200 V HA -0.016 4.119 4.120 0.026 0.000 0.246 200 V C 1.662 177.824 176.094 0.112 0.000 1.046 200 V CA 1.146 63.487 62.300 0.067 0.000 1.053 200 V CB -0.977 30.934 31.823 0.147 0.000 0.679 200 V HN 0.449 nan 8.190 nan 0.000 0.458 201 G N 0.955 109.799 108.800 0.073 0.000 2.574 201 G HA2 -0.330 3.645 3.960 0.026 0.000 0.286 201 G HA3 -0.330 3.645 3.960 0.026 0.000 0.286 201 G C 0.258 175.204 174.900 0.077 0.000 1.212 201 G CA 0.441 45.580 45.100 0.065 0.000 0.979 201 G HN 0.396 nan 8.290 nan 0.000 0.557 202 D N 2.141 122.577 120.400 0.060 0.000 2.328 202 D HA 0.296 4.951 4.640 0.026 0.000 0.226 202 D C 1.544 177.864 176.300 0.035 0.000 1.066 202 D CA 0.918 54.947 54.000 0.048 0.000 0.861 202 D CB -0.442 40.375 40.800 0.029 0.000 0.912 202 D HN 0.738 nan 8.370 nan 0.000 0.521 203 G N 0.703 109.543 108.800 0.065 0.000 2.559 203 G HA2 0.318 4.294 3.960 0.026 0.000 0.235 203 G HA3 0.318 4.294 3.960 0.026 0.000 0.235 203 G C -0.018 174.851 174.900 -0.052 0.000 1.266 203 G CA -0.252 44.840 45.100 -0.014 0.000 0.847 203 G HN 0.144 nan 8.290 nan 0.000 0.583 204 I N 0.601 120.971 120.570 -0.333 0.000 2.418 204 I HA 0.337 4.523 4.170 0.026 0.000 0.287 204 I C -1.128 174.599 176.117 -0.650 0.000 1.008 204 I CA -0.500 60.612 61.300 -0.314 0.000 1.104 204 I CB 1.888 39.773 38.000 -0.190 0.000 1.264 204 I HN 0.450 nan 8.210 nan 0.000 0.438 205 W N 4.575 125.518 121.300 -0.595 0.000 2.785 205 W HA 0.497 5.172 4.660 0.026 0.000 0.333 205 W C -0.451 175.720 176.519 -0.580 0.000 1.062 205 W CA -0.422 56.514 57.345 -0.682 0.000 1.233 205 W CB 1.496 30.328 29.460 -1.047 0.000 1.413 205 W HN 0.323 nan 8.180 nan 0.000 0.489 206 Q N 1.347 121.075 119.800 -0.120 0.000 2.259 206 Q HA 0.498 4.854 4.340 0.026 0.000 0.249 206 Q C -0.687 175.337 176.000 0.041 0.000 0.914 206 Q CA -0.718 55.071 55.803 -0.023 0.000 0.904 206 Q CB 1.858 30.604 28.738 0.012 0.000 1.213 206 Q HN 0.220 nan 8.270 nan 0.000 0.428 207 V N 3.239 123.205 119.914 0.087 0.000 2.328 207 V HA 0.236 4.371 4.120 0.026 0.000 0.278 207 V C -0.360 175.718 176.094 -0.027 0.000 1.021 207 V CA -0.614 61.716 62.300 0.050 0.000 0.838 207 V CB 1.346 33.222 31.823 0.087 0.000 0.999 207 V HN 0.501 nan 8.190 nan 0.000 0.447 208 V N 6.893 126.766 119.914 -0.069 0.000 2.394 208 V HA 0.537 4.673 4.120 0.026 0.000 0.282 208 V C 0.160 176.134 176.094 -0.200 0.000 1.031 208 V CA -0.718 61.522 62.300 -0.099 0.000 0.881 208 V CB 1.559 33.365 31.823 -0.029 0.000 0.982 208 V HN 0.793 nan 8.190 nan 0.000 0.451 209 R N 5.403 125.704 120.500 -0.332 0.000 2.393 209 R HA 0.591 4.946 4.340 0.026 0.000 0.315 209 R C -0.368 175.768 176.300 -0.274 0.000 0.952 209 R CA -0.578 55.310 56.100 -0.352 0.000 0.842 209 R CB 2.157 32.130 30.300 -0.544 0.000 1.163 209 R HN 0.828 nan 8.270 nan 0.000 0.450 210 I N -0.236 120.180 120.570 -0.257 0.000 3.021 210 I HA 0.460 4.646 4.170 0.026 0.000 0.303 210 I C -2.290 173.613 176.117 -0.357 0.000 1.044 210 I CA -2.664 58.408 61.300 -0.379 0.000 1.266 210 I CB 0.572 38.197 38.000 -0.625 0.000 1.447 210 I HN 0.242 nan 8.210 nan 0.000 0.593 211 P HA 0.136 nan 4.420 nan 0.000 0.271 211 P C 0.222 177.380 177.300 -0.237 0.000 1.216 211 P CA -0.073 62.872 63.100 -0.260 0.000 0.771 211 P CB 0.928 32.471 31.700 -0.261 0.000 0.864 212 T N 2.742 117.217 114.554 -0.132 0.000 2.699 212 T HA -0.205 4.161 4.350 0.026 0.000 0.268 212 T C 1.635 176.279 174.700 -0.094 0.000 1.036 212 T CA 1.170 63.212 62.100 -0.096 0.000 1.147 212 T CB -0.739 68.117 68.868 -0.021 0.000 0.862 212 T HN 0.425 nan 8.240 nan 0.000 0.446 213 I N 0.805 121.326 120.570 -0.082 0.000 2.264 213 I HA -0.184 4.002 4.170 0.026 0.000 0.248 213 I C 2.106 178.168 176.117 -0.092 0.000 1.111 213 I CA 1.202 62.465 61.300 -0.062 0.000 1.382 213 I CB 0.001 37.978 38.000 -0.038 0.000 1.060 213 I HN 0.080 nan 8.210 nan 0.000 0.418 214 V N -0.545 119.256 119.914 -0.189 0.000 2.488 214 V HA -0.211 3.924 4.120 0.026 0.000 0.246 214 V C 2.484 178.472 176.094 -0.177 0.000 1.046 214 V CA 1.861 64.021 62.300 -0.232 0.000 1.053 214 V CB -0.256 31.214 31.823 -0.588 0.000 0.679 214 V HN 0.446 nan 8.190 nan 0.000 0.458 215 S N -0.360 115.221 115.700 -0.198 0.000 2.383 215 S HA -0.167 4.318 4.470 0.026 0.000 0.227 215 S C 2.181 176.746 174.600 -0.059 0.000 1.026 215 S CA 1.426 59.542 58.200 -0.140 0.000 0.981 215 S CB -0.168 62.921 63.200 -0.185 0.000 0.818 215 S HN 0.555 nan 8.310 nan 0.000 0.472 216 R N -0.069 120.405 120.500 -0.044 0.000 2.092 216 R HA -0.011 4.345 4.340 0.026 0.000 0.231 216 R C 2.373 178.685 176.300 0.019 0.000 1.119 216 R CA 1.732 57.837 56.100 0.009 0.000 0.970 216 R CB -0.809 29.501 30.300 0.018 0.000 0.864 216 R HN 0.351 nan 8.270 nan 0.000 0.440 217 T N 0.272 114.828 114.554 0.003 0.000 2.821 217 T HA -0.097 4.268 4.350 0.026 0.000 0.267 217 T C 1.569 176.289 174.700 0.034 0.000 1.046 217 T CA 0.950 63.062 62.100 0.020 0.000 1.139 217 T CB -0.025 68.854 68.868 0.019 0.000 0.871 217 T HN 0.277 nan 8.240 nan 0.000 0.454 218 C N 0.834 120.151 119.300 0.029 0.000 2.769 218 C HA 0.600 5.075 4.460 0.026 0.000 0.086 218 C C -0.002 175.031 174.990 0.071 0.000 2.496 218 C CA -0.526 58.524 59.018 0.053 0.000 1.923 218 C CB 0.598 28.372 27.740 0.057 0.000 2.940 218 C HN 0.707 nan 8.230 nan 0.000 0.347 219 D N -1.084 119.364 120.400 0.080 0.000 2.677 219 D HA 0.310 4.966 4.640 0.026 0.000 0.298 219 D C 0.607 176.972 176.300 0.108 0.000 1.250 219 D CA 0.199 54.276 54.000 0.128 0.000 0.888 219 D CB 0.538 41.431 40.800 0.155 0.000 1.397 219 D HN 0.481 nan 8.370 nan 0.000 0.461 220 G N -0.405 108.493 108.800 0.163 0.000 2.422 220 G HA2 -0.000 3.975 3.960 0.026 0.000 0.218 220 G HA3 -0.000 3.975 3.960 0.026 0.000 0.218 220 G C 1.287 176.257 174.900 0.116 0.000 1.140 220 G CA 1.143 46.315 45.100 0.120 0.000 0.775 220 G HN 0.708 nan 8.290 nan 0.000 0.545 221 A N 0.105 123.002 122.820 0.128 0.000 2.168 221 A HA 0.132 4.467 4.320 0.026 0.000 0.215 221 A C 2.390 180.051 177.584 0.128 0.000 1.152 221 A CA 1.945 54.055 52.037 0.120 0.000 0.716 221 A CB -0.511 18.549 19.000 0.100 0.000 0.794 221 A HN 0.253 nan 8.150 nan 0.000 0.465 222 T N -0.167 114.457 114.554 0.117 0.000 2.867 222 T HA -0.108 4.258 4.350 0.026 0.000 0.268 222 T C 1.994 176.784 174.700 0.150 0.000 1.057 222 T CA 1.896 64.077 62.100 0.135 0.000 1.136 222 T CB -0.365 68.565 68.868 0.103 0.000 0.874 222 T HN 0.548 nan 8.240 nan 0.000 0.466 223 T N 2.202 116.814 114.554 0.098 0.000 2.684 223 T HA -0.141 4.224 4.350 0.026 0.000 0.267 223 T C 2.461 177.237 174.700 0.127 0.000 1.036 223 T CA 1.784 63.924 62.100 0.066 0.000 1.148 223 T CB -0.472 68.408 68.868 0.020 0.000 0.863 223 T HN 0.621 nan 8.240 nan 0.000 0.436 224 S N 1.457 117.248 115.700 0.152 0.000 2.428 224 S HA 0.004 4.490 4.470 0.026 0.000 0.230 224 S C 2.032 176.717 174.600 0.142 0.000 1.014 224 S CA 0.416 58.690 58.200 0.124 0.000 0.957 224 S CB -0.274 63.021 63.200 0.159 0.000 0.784 224 S HN 0.421 nan 8.310 nan 0.000 0.499 225 R N -0.151 120.451 120.500 0.170 0.000 2.062 225 R HA 0.002 4.357 4.340 0.026 0.000 0.229 225 R C 2.219 178.622 176.300 0.172 0.000 1.128 225 R CA 1.382 57.572 56.100 0.150 0.000 0.960 225 R CB -0.460 29.926 30.300 0.144 0.000 0.855 225 R HN 0.591 nan 8.270 nan 0.000 0.432 226 W N 1.672 122.986 121.300 0.023 0.000 2.355 226 W HA -0.188 4.488 4.660 0.026 0.000 0.309 226 W C 2.212 178.731 176.519 -0.000 0.000 1.206 226 W CA 1.846 59.197 57.345 0.009 0.000 1.284 226 W CB -0.689 28.772 29.460 0.002 0.000 1.145 226 W HN 0.079 nan 8.180 nan 0.000 0.502 227 S N 0.914 116.817 115.700 0.339 0.000 2.368 227 S HA -0.256 4.229 4.470 0.026 0.000 0.226 227 S C 2.142 176.800 174.600 0.095 0.000 1.044 227 S CA 2.790 61.104 58.200 0.190 0.000 1.062 227 S CB -0.797 62.470 63.200 0.112 0.000 0.931 227 S HN 0.275 nan 8.310 nan 0.000 0.440 228 A N 1.686 124.553 122.820 0.079 0.000 1.933 228 A HA -0.000 4.335 4.320 0.026 0.000 0.218 228 A C 2.324 179.923 177.584 0.025 0.000 1.175 228 A CA 1.729 53.798 52.037 0.054 0.000 0.628 228 A CB -0.592 18.442 19.000 0.058 0.000 0.814 228 A HN 0.582 nan 8.150 nan 0.000 0.444 229 M N -0.590 119.000 119.600 -0.017 0.000 2.086 229 M HA -0.138 4.357 4.480 0.026 0.000 0.261 229 M C 2.063 178.311 176.300 -0.088 0.000 1.067 229 M CA 1.354 56.608 55.300 -0.077 0.000 1.116 229 M CB -1.323 31.170 32.600 -0.178 0.000 1.348 229 M HN 0.391 nan 8.290 nan 0.000 0.407 230 Q N -0.327 119.413 119.800 -0.100 0.000 2.269 230 Q HA 0.162 4.517 4.340 0.026 0.000 0.201 230 Q C 2.214 178.200 176.000 -0.024 0.000 0.946 230 Q CA 0.729 56.476 55.803 -0.092 0.000 0.877 230 Q CB -0.184 28.489 28.738 -0.109 0.000 0.963 230 Q HN 0.550 nan 8.270 nan 0.000 0.472 231 I N 0.448 121.036 120.570 0.031 0.000 2.226 231 I HA -0.223 3.962 4.170 0.026 0.000 0.245 231 I C 2.213 178.379 176.117 0.083 0.000 1.100 231 I CA 1.414 62.783 61.300 0.114 0.000 1.374 231 I CB -0.518 37.557 38.000 0.125 0.000 1.057 231 I HN 0.220 nan 8.210 nan 0.000 0.413 232 G N 0.578 109.395 108.800 0.029 0.000 2.421 232 G HA2 -0.214 3.761 3.960 0.026 0.000 0.216 232 G HA3 -0.214 3.761 3.960 0.026 0.000 0.216 232 G C 1.633 176.508 174.900 -0.042 0.000 1.171 232 G CA 0.423 45.518 45.100 -0.009 0.000 0.775 232 G HN 0.096 nan 8.290 nan 0.000 0.543 233 M N 1.397 120.978 119.600 -0.033 0.000 2.108 233 M HA -0.030 4.465 4.480 0.026 0.000 0.261 233 M C 2.737 179.021 176.300 -0.026 0.000 1.066 233 M CA 1.172 56.449 55.300 -0.038 0.000 1.107 233 M CB -1.253 31.315 32.600 -0.052 0.000 1.356 233 M HN 0.183 nan 8.290 nan 0.000 0.406 234 S N -0.007 115.689 115.700 -0.006 0.000 2.387 234 S HA -0.030 4.456 4.470 0.026 0.000 0.226 234 S C 1.949 176.642 174.600 0.155 0.000 1.026 234 S CA 0.906 59.110 58.200 0.007 0.000 0.972 234 S CB -0.078 63.036 63.200 -0.143 0.000 0.814 234 S HN 0.356 nan 8.310 nan 0.000 0.477 235 M N 1.215 120.896 119.600 0.135 0.000 2.086 235 M HA 0.023 4.518 4.480 0.026 0.000 0.261 235 M C 2.077 178.328 176.300 -0.080 0.000 1.067 235 M CA 1.304 56.579 55.300 -0.041 0.000 1.116 235 M CB -1.292 30.945 32.600 -0.605 0.000 1.348 235 M HN 0.290 nan 8.290 nan 0.000 0.407 236 I N -0.756 119.742 120.570 -0.120 0.000 2.151 236 I HA -0.356 3.829 4.170 0.026 0.000 0.243 236 I C 2.729 178.844 176.117 -0.003 0.000 1.080 236 I CA 1.569 62.836 61.300 -0.056 0.000 1.339 236 I CB -0.517 37.459 38.000 -0.041 0.000 1.039 236 I HN 0.312 nan 8.210 nan 0.000 0.409 237 S N 0.106 115.803 115.700 -0.004 0.000 2.355 237 S HA -0.089 4.396 4.470 0.026 0.000 0.222 237 S C 2.094 176.697 174.600 0.005 0.000 1.031 237 S CA 1.336 59.532 58.200 -0.006 0.000 0.993 237 S CB -0.163 63.016 63.200 -0.035 0.000 0.859 237 S HN 0.472 nan 8.310 nan 0.000 0.453 238 A N -0.969 121.842 122.820 -0.015 0.000 2.067 238 A HA 0.186 4.521 4.320 0.026 0.000 0.217 238 A C 1.349 178.760 177.584 -0.288 0.000 1.156 238 A CA 0.797 52.783 52.037 -0.085 0.000 0.683 238 A CB -0.455 18.449 19.000 -0.160 0.000 0.808 238 A HN 0.703 nan 8.150 nan 0.000 0.455 239 Y N -1.048 119.276 120.300 0.039 0.000 2.481 239 Y HA 0.244 4.809 4.550 0.026 0.000 0.247 239 Y C 0.074 175.977 175.900 0.005 0.000 1.151 239 Y CA -0.349 57.757 58.100 0.011 0.000 1.238 239 Y CB 0.310 38.753 38.460 -0.028 0.000 1.179 239 Y HN 0.201 nan 8.280 nan 0.000 0.524 240 K N 1.565 122.015 120.400 0.084 0.000 3.419 240 K HA -0.253 4.083 4.320 0.026 0.000 0.272 240 K C -0.546 176.095 176.600 0.067 0.000 0.973 240 K CA 0.332 56.653 56.287 0.056 0.000 0.749 240 K CB -1.417 31.106 32.500 0.038 0.000 1.403 240 K HN 0.541 nan 8.250 nan 0.000 0.456 241 Q N 0.107 119.945 119.800 0.063 0.000 2.396 241 Q HA 0.473 4.828 4.340 0.026 0.000 0.221 241 Q C 0.651 176.676 176.000 0.041 0.000 1.025 241 Q CA -0.168 55.672 55.803 0.062 0.000 0.946 241 Q CB 0.554 29.331 28.738 0.064 0.000 1.224 241 Q HN 0.476 nan 8.270 nan 0.000 0.539 242 A N 0.613 123.458 122.820 0.041 0.000 2.555 242 A HA 0.286 4.621 4.320 0.026 0.000 0.233 242 A C 0.056 177.656 177.584 0.028 0.000 1.060 242 A CA 0.373 52.428 52.037 0.030 0.000 0.759 242 A CB -0.112 18.905 19.000 0.029 0.000 0.995 242 A HN 0.722 nan 8.150 nan 0.000 0.506 243 A N 2.050 124.881 122.820 0.019 0.000 2.990 243 A HA 0.531 4.867 4.320 0.026 0.000 0.282 243 A C 1.063 178.657 177.584 0.017 0.000 1.688 243 A CA 0.426 52.471 52.037 0.014 0.000 1.391 243 A CB -1.428 17.576 19.000 0.007 0.000 1.112 243 A HN 2.687 nan 8.150 nan 0.000 0.588 244 G N 1.710 110.527 108.800 0.028 0.000 2.905 244 G HA2 0.029 4.004 3.960 0.026 0.000 0.210 244 G HA3 0.029 4.004 3.960 0.026 0.000 0.210 244 G C -0.587 174.334 174.900 0.034 0.000 0.991 244 G CA -0.127 44.992 45.100 0.031 0.000 1.210 244 G HN 1.050 nan 8.290 nan 0.000 0.602 245 E N -0.147 120.081 120.200 0.047 0.000 2.396 245 E HA 0.835 5.200 4.350 0.026 0.000 0.251 245 E C 1.594 178.220 176.600 0.044 0.000 0.949 245 E CA -0.466 55.958 56.400 0.040 0.000 0.834 245 E CB 0.972 30.697 29.700 0.042 0.000 1.309 245 E HN 0.802 nan 8.360 nan 0.000 0.405 246 A N 0.683 123.519 122.820 0.027 0.000 1.908 246 A HA -0.195 4.141 4.320 0.026 0.000 0.218 246 A C 2.267 179.863 177.584 0.020 0.000 1.181 246 A CA 2.412 54.457 52.037 0.014 0.000 0.627 246 A CB -1.353 17.645 19.000 -0.005 0.000 0.818 246 A HN 0.692 nan 8.150 nan 0.000 0.445 247 A N -0.995 121.846 122.820 0.035 0.000 2.015 247 A HA -0.031 4.305 4.320 0.026 0.000 0.219 247 A C 2.185 179.849 177.584 0.134 0.000 1.163 247 A CA 2.068 54.125 52.037 0.033 0.000 0.646 247 A CB -1.226 17.806 19.000 0.053 0.000 0.806 247 A HN 0.475 nan 8.150 nan 0.000 0.448 248 T N 0.043 114.723 114.554 0.210 0.000 2.737 248 T HA -0.152 4.213 4.350 0.026 0.000 0.269 248 T C 1.934 176.785 174.700 0.251 0.000 1.040 248 T CA 1.544 63.830 62.100 0.310 0.000 1.142 248 T CB -0.675 68.288 68.868 0.159 0.000 0.861 248 T HN 0.599 nan 8.240 nan 0.000 0.456 249 G N 1.603 110.473 108.800 0.116 0.000 2.450 249 G HA2 -0.233 3.743 3.960 0.026 0.000 0.220 249 G HA3 -0.233 3.743 3.960 0.026 0.000 0.220 249 G C 1.265 176.199 174.900 0.055 0.000 1.130 249 G CA 0.925 46.070 45.100 0.076 0.000 0.760 249 G HN 0.398 nan 8.290 nan 0.000 0.557 250 D N 0.542 120.917 120.400 -0.042 0.000 2.144 250 D HA -0.071 4.585 4.640 0.026 0.000 0.199 250 D C 2.143 178.348 176.300 -0.159 0.000 0.984 250 D CA 0.560 54.475 54.000 -0.141 0.000 0.834 250 D CB -0.399 40.211 40.800 -0.317 0.000 0.955 250 D HN 0.417 nan 8.370 nan 0.000 0.465 251 F N 1.516 121.477 119.950 0.018 0.000 2.134 251 F HA -0.111 4.431 4.527 0.025 0.000 0.299 251 F C 2.554 178.372 175.800 0.030 0.000 1.097 251 F CA 0.931 58.934 58.000 0.005 0.000 1.264 251 F CB -0.577 38.417 39.000 -0.009 0.000 1.001 251 F HN -0.077 nan 8.300 nan 0.000 0.479 252 A N -0.591 122.367 122.820 0.230 0.000 1.877 252 A HA -0.266 4.070 4.320 0.026 0.000 0.216 252 A C 2.059 179.733 177.584 0.150 0.000 1.186 252 A CA 1.691 53.825 52.037 0.162 0.000 0.620 252 A CB -1.420 17.665 19.000 0.141 0.000 0.822 252 A HN 0.472 nan 8.150 nan 0.000 0.443 253 Y N 0.521 120.839 120.300 0.030 0.000 2.200 253 Y HA -0.047 4.518 4.550 0.026 0.000 0.290 253 Y C 2.714 178.628 175.900 0.024 0.000 1.137 253 Y CA 1.073 59.183 58.100 0.016 0.000 1.163 253 Y CB -0.608 37.843 38.460 -0.016 0.000 0.988 253 Y HN 0.315 nan 8.280 nan 0.000 0.518 254 A N 0.297 123.157 122.820 0.068 0.000 1.917 254 A HA -0.193 4.143 4.320 0.026 0.000 0.219 254 A C 2.379 179.939 177.584 -0.040 0.000 1.182 254 A CA 2.257 54.299 52.037 0.008 0.000 0.633 254 A CB -1.465 17.558 19.000 0.038 0.000 0.819 254 A HN 0.572 nan 8.150 nan 0.000 0.448 255 A N -1.142 121.678 122.820 0.000 0.000 2.016 255 A HA 0.131 4.467 4.320 0.026 0.000 0.217 255 A C 1.396 178.965 177.584 -0.025 0.000 1.162 255 A CA 0.889 52.922 52.037 -0.006 0.000 0.662 255 A CB -0.052 18.973 19.000 0.041 0.000 0.812 255 A HN 0.529 nan 8.150 nan 0.000 0.450 259 E N 0.193 120.388 120.200 -0.010 0.000 4.017 259 E HA 0.520 4.886 4.350 0.026 0.000 0.205 259 E C -0.836 175.789 176.600 0.041 0.000 1.054 259 E CA -0.245 56.133 56.400 -0.038 0.000 1.398 259 E CB 0.830 30.339 29.700 -0.318 0.000 1.164 259 E HN 0.295 nan 8.360 nan 0.000 0.445 260 V N 1.762 121.689 119.914 0.021 0.000 2.513 260 V HA 0.414 4.550 4.120 0.026 0.000 0.299 260 V C -0.901 175.172 176.094 -0.035 0.000 1.035 260 V CA -0.916 61.356 62.300 -0.047 0.000 0.889 260 V CB 1.448 33.168 31.823 -0.173 0.000 0.988 260 V HN 0.364 nan 8.190 nan 0.000 0.440 261 I N 6.853 127.386 120.570 -0.062 0.000 2.428 261 I HA 0.418 4.604 4.170 0.026 0.000 0.279 261 I C 0.323 176.409 176.117 -0.052 0.000 1.040 261 I CA -0.459 60.818 61.300 -0.039 0.000 1.171 261 I CB 0.403 38.340 38.000 -0.105 0.000 1.312 261 I HN 0.609 nan 8.210 nan 0.000 0.470 262 H N 5.322 124.453 119.070 0.101 0.000 2.771 262 H HA 0.191 4.762 4.556 0.025 0.000 0.364 262 H C 1.017 176.457 175.328 0.187 0.000 1.133 262 H CA -0.025 56.093 56.048 0.117 0.000 1.423 262 H CB 1.502 31.327 29.762 0.104 0.000 1.425 262 H HN 0.412 nan 8.280 nan 0.000 0.606 263 M N 1.043 120.818 119.600 0.292 0.000 2.200 263 M HA 0.047 4.542 4.480 0.026 0.000 0.265 263 M C 1.204 177.673 176.300 0.282 0.000 1.066 263 M CA 0.780 56.270 55.300 0.316 0.000 1.127 263 M CB -0.389 32.348 32.600 0.228 0.000 1.379 263 M HN 0.604 nan 8.290 nan 0.000 0.420 264 G N 0.041 108.953 108.800 0.186 0.000 2.524 264 G HA2 0.528 4.503 3.960 0.026 0.000 0.310 264 G HA3 0.528 4.503 3.960 0.026 0.000 0.310 264 G C -0.630 174.267 174.900 -0.005 0.000 1.279 264 G CA -0.484 44.643 45.100 0.044 0.000 0.974 264 G HN 0.248 nan 8.290 nan 0.000 0.484 265 T N -1.230 113.260 114.554 -0.106 0.000 2.899 265 T HA 0.530 4.896 4.350 0.026 0.000 0.284 265 T C 0.334 174.933 174.700 -0.168 0.000 1.004 265 T CA -0.591 61.409 62.100 -0.167 0.000 1.043 265 T CB 0.965 69.686 68.868 -0.244 0.000 1.013 265 T HN 0.722 nan 8.240 nan 0.000 0.518 266 Y N 0.640 120.876 120.300 -0.107 0.000 2.385 266 Y HA 0.591 5.157 4.550 0.026 0.000 0.346 266 Y C -0.532 175.341 175.900 -0.045 0.000 1.270 266 Y CA -1.425 56.636 58.100 -0.065 0.000 1.472 266 Y CB 0.029 38.457 38.460 -0.053 0.000 1.354 266 Y HN 0.561 nan 8.280 nan 0.000 0.611 267 L N 3.215 124.540 121.223 0.171 0.000 2.322 267 L HA 0.530 4.886 4.340 0.026 0.000 0.269 267 L C -1.978 175.001 176.870 0.181 0.000 1.012 267 L CA -2.399 52.496 54.840 0.091 0.000 0.815 267 L CB 1.663 43.791 42.059 0.115 0.000 1.295 267 L HN 0.578 nan 8.230 nan 0.000 0.438 268 P HA 0.049 nan 4.420 nan 0.000 0.271 268 P C 0.860 178.219 177.300 0.098 0.000 1.244 268 P CA -0.427 62.735 63.100 0.102 0.000 0.793 268 P CB 0.832 32.558 31.700 0.043 0.000 0.984 269 V N -0.485 119.475 119.914 0.076 0.000 2.407 269 V HA -0.176 3.959 4.120 0.026 0.000 0.248 269 V C 1.897 178.025 176.094 0.056 0.000 1.055 269 V CA 1.517 63.855 62.300 0.063 0.000 1.049 269 V CB -0.888 30.961 31.823 0.044 0.000 0.662 269 V HN 0.578 nan 8.190 nan 0.000 0.455 273 R N 0.424 121.037 120.500 0.189 0.000 2.680 273 R HA 0.682 5.037 4.340 0.026 0.000 0.269 273 R C 0.643 177.049 176.300 0.178 0.000 1.026 273 R CA 0.217 56.441 56.100 0.206 0.000 0.889 273 R CB 1.965 32.419 30.300 0.257 0.000 1.241 273 R HN 1.261 nan 8.270 nan 0.000 0.463 274 G N 0.531 109.425 108.800 0.157 0.000 2.508 274 G HA2 0.260 4.236 3.960 0.026 0.000 0.278 274 G HA3 0.260 4.236 3.960 0.026 0.000 0.278 274 G C -0.683 174.291 174.900 0.123 0.000 1.389 274 G CA -0.400 44.778 45.100 0.131 0.000 1.050 274 G HN 0.483 nan 8.290 nan 0.000 0.522 275 E N -0.605 119.636 120.200 0.069 0.000 2.425 275 E HA 0.173 4.538 4.350 0.026 0.000 0.258 275 E C 0.257 176.916 176.600 0.098 0.000 1.151 275 E CA 0.256 56.663 56.400 0.011 0.000 0.958 275 E CB 0.183 29.765 29.700 -0.198 0.000 0.968 275 E HN 0.408 nan 8.360 nan 0.000 0.451 276 N N 0.934 119.707 118.700 0.121 0.000 2.758 276 N HA -0.159 4.596 4.740 0.026 0.000 0.248 276 N C -1.319 174.358 175.510 0.277 0.000 1.076 276 N CA 0.834 53.991 53.050 0.179 0.000 0.696 276 N CB -0.684 37.889 38.487 0.143 0.000 0.979 276 N HN 0.341 nan 8.380 nan 0.000 0.550 277 E N -1.337 118.974 120.200 0.184 0.000 2.263 277 E HA 0.379 4.745 4.350 0.026 0.000 0.264 277 E C -1.569 174.843 176.600 -0.314 0.000 0.923 277 E CA -1.806 54.656 56.400 0.104 0.000 0.802 277 E CB 0.846 30.554 29.700 0.013 0.000 1.228 277 E HN -0.098 nan 8.360 nan 0.000 0.417 278 P HA -0.102 nan 4.420 nan 0.000 0.216 278 P C 1.202 177.809 177.300 -1.155 0.000 1.150 278 P CA 1.508 63.982 63.100 -1.044 0.000 0.837 278 P CB 0.204 31.171 31.700 -1.221 0.000 0.786 279 G N -0.632 106.985 108.800 -1.971 0.000 2.471 279 G HA2 -0.141 3.834 3.960 0.026 0.000 0.219 279 G HA3 -0.141 3.834 3.960 0.026 0.000 0.219 279 G C 1.554 176.093 174.900 -0.601 0.000 1.125 279 G CA 0.757 45.025 45.100 -1.387 0.000 0.775 279 G HN 0.394 nan 8.290 nan 0.000 0.548 280 G N -0.352 108.170 108.800 -0.464 0.000 2.880 280 G HA2 0.247 4.222 3.960 0.026 0.000 0.209 280 G HA3 0.247 4.222 3.960 0.026 0.000 0.209 280 G C 0.293 175.048 174.900 -0.243 0.000 1.157 280 G CA -0.034 44.895 45.100 -0.285 0.000 0.779 280 G HN 0.238 nan 8.290 nan 0.000 0.539 281 V N 3.956 123.749 119.914 -0.202 0.000 2.405 281 V HA 0.200 4.335 4.120 0.026 0.000 0.264 281 V C -1.619 174.386 176.094 -0.149 0.000 1.048 281 V CA -1.745 60.502 62.300 -0.089 0.000 0.966 281 V CB 1.093 32.946 31.823 0.050 0.000 1.015 281 V HN 0.126 nan 8.190 nan 0.000 0.477 282 P HA 0.123 nan 4.420 nan 0.000 0.269 282 P C 0.815 178.047 177.300 -0.113 0.000 1.215 282 P CA -0.053 62.832 63.100 -0.358 0.000 0.780 282 P CB 0.743 32.236 31.700 -0.346 0.000 0.898 283 F N 0.792 120.731 119.950 -0.017 0.000 2.161 283 F HA -0.153 4.390 4.527 0.026 0.000 0.300 283 F C 2.711 178.573 175.800 0.103 0.000 1.089 283 F CA 1.370 59.406 58.000 0.059 0.000 1.282 283 F CB -1.105 37.882 39.000 -0.023 0.000 1.010 283 F HN 0.395 nan 8.300 nan 0.000 0.485 284 G N -1.019 107.924 108.800 0.239 0.000 2.422 284 G HA2 -0.228 3.747 3.960 0.026 0.000 0.218 284 G HA3 -0.228 3.747 3.960 0.026 0.000 0.218 284 G C 1.412 176.604 174.900 0.487 0.000 1.140 284 G CA 0.425 45.717 45.100 0.321 0.000 0.775 284 G HN 0.403 nan 8.290 nan 0.000 0.545 285 Y N -0.481 119.988 120.300 0.282 0.000 2.200 285 Y HA -0.027 4.538 4.550 0.025 0.000 0.290 285 Y C 2.733 178.663 175.900 0.050 0.000 1.137 285 Y CA 0.004 58.182 58.100 0.130 0.000 1.163 285 Y CB 0.002 38.508 38.460 0.077 0.000 0.988 285 Y HN 0.091 nan 8.280 nan 0.000 0.518 286 L N 0.393 121.773 121.223 0.260 0.000 2.046 286 L HA -0.194 4.161 4.340 0.026 0.000 0.208 286 L C 2.397 179.319 176.870 0.087 0.000 1.077 286 L CA 2.010 56.921 54.840 0.119 0.000 0.747 286 L CB -1.242 40.924 42.059 0.179 0.000 0.896 286 L HN 0.208 nan 8.230 nan 0.000 0.432 287 A N -0.417 122.494 122.820 0.151 0.000 1.940 287 A HA -0.228 4.107 4.320 0.026 0.000 0.219 287 A C 1.897 179.540 177.584 0.097 0.000 1.176 287 A CA 1.901 54.013 52.037 0.126 0.000 0.631 287 A CB -0.497 18.593 19.000 0.151 0.000 0.814 287 A HN 0.504 nan 8.150 nan 0.000 0.446 288 D N -0.336 120.121 120.400 0.096 0.000 2.194 288 D HA -0.004 4.651 4.640 0.026 0.000 0.204 288 D C 1.883 178.160 176.300 -0.039 0.000 0.964 288 D CA 0.689 54.724 54.000 0.057 0.000 0.846 288 D CB -0.257 40.571 40.800 0.047 0.000 0.962 288 D HN 0.513 nan 8.370 nan 0.000 0.490 289 I N 0.881 121.339 120.570 -0.186 0.000 2.118 289 I HA -0.236 3.950 4.170 0.026 0.000 0.241 289 I C 1.504 177.445 176.117 -0.293 0.000 1.070 289 I CA 0.403 61.381 61.300 -0.537 0.000 1.327 289 I CB -0.242 37.250 38.000 -0.847 0.000 1.034 289 I HN 0.043 nan 8.210 nan 0.000 0.405 290 C N 3.079 122.337 119.300 -0.069 0.000 2.465 290 C HA -0.080 4.396 4.460 0.026 0.000 0.402 290 C C 1.618 176.680 174.990 0.120 0.000 1.448 290 C CA 0.022 59.102 59.018 0.104 0.000 1.589 290 C CB -0.228 27.571 27.740 0.099 0.000 2.535 290 C HN 0.420 nan 8.230 nan 0.000 0.600 291 Q N 3.437 123.345 119.800 0.179 0.000 2.220 291 Q HA 0.018 4.374 4.340 0.026 0.000 0.205 291 Q C 2.053 178.121 176.000 0.113 0.000 0.865 291 Q CA 0.270 56.159 55.803 0.144 0.000 0.960 291 Q CB 0.225 29.052 28.738 0.149 0.000 1.097 291 Q HN 0.939 nan 8.270 nan 0.000 0.493 292 S N 1.522 117.288 115.700 0.111 0.000 2.387 292 S HA -0.199 4.286 4.470 0.026 0.000 0.230 292 S C 2.084 176.753 174.600 0.115 0.000 1.035 292 S CA 1.903 60.156 58.200 0.089 0.000 1.014 292 S CB 0.046 63.290 63.200 0.074 0.000 0.836 292 S HN 0.620 nan 8.310 nan 0.000 0.466 293 S N 2.560 118.347 115.700 0.144 0.000 2.392 293 S HA -0.257 4.229 4.470 0.026 0.000 0.232 293 S C 1.875 176.624 174.600 0.248 0.000 1.041 293 S CA 1.506 59.819 58.200 0.189 0.000 1.026 293 S CB -0.819 62.499 63.200 0.197 0.000 0.845 293 S HN 0.867 nan 8.310 nan 0.000 0.465 294 R N 1.181 121.800 120.500 0.197 0.000 2.246 294 R HA 0.195 4.550 4.340 0.026 0.000 0.199 294 R C 1.973 178.422 176.300 0.248 0.000 0.984 294 R CA 0.955 57.160 56.100 0.176 0.000 1.015 294 R CB -0.479 29.721 30.300 -0.167 0.000 0.930 294 R HN 0.554 nan 8.270 nan 0.000 0.475 295 V N -2.616 117.405 119.914 0.179 0.000 3.085 295 V HA 0.227 4.362 4.120 0.026 0.000 0.245 295 V C 0.592 176.687 176.094 0.002 0.000 1.114 295 V CA 0.168 62.540 62.300 0.120 0.000 1.108 295 V CB -0.039 31.806 31.823 0.036 0.000 0.798 295 V HN 0.160 nan 8.190 nan 0.000 0.471 296 N N 0.584 119.282 118.700 -0.003 0.000 2.458 296 N HA 0.234 4.990 4.740 0.026 0.000 0.274 296 N C 0.784 176.205 175.510 -0.148 0.000 1.242 296 N CA 0.117 53.097 53.050 -0.117 0.000 0.904 296 N CB 0.368 38.839 38.487 -0.025 0.000 1.206 296 N HN 0.835 nan 8.380 nan 0.000 0.510 297 Y N -0.281 120.039 120.300 0.033 0.000 2.561 297 Y HA 0.225 4.790 4.550 0.025 0.000 0.291 297 Y C 1.384 177.295 175.900 0.019 0.000 1.141 297 Y CA 0.247 58.369 58.100 0.036 0.000 1.303 297 Y CB -0.265 38.225 38.460 0.051 0.000 1.015 297 Y HN -0.028 nan 8.280 nan 0.000 0.547 298 E N 0.321 120.338 120.200 -0.304 0.000 2.502 298 E HA -0.066 4.299 4.350 0.026 0.000 0.194 298 E C -0.189 176.365 176.600 -0.076 0.000 1.062 298 E CA 0.329 56.660 56.400 -0.115 0.000 0.867 298 E CB 0.130 29.733 29.700 -0.162 0.000 0.888 298 E HN 0.282 nan 8.360 nan 0.000 0.510 299 D N 0.006 120.365 120.400 -0.068 0.000 2.375 299 D HA 0.092 4.747 4.640 0.026 0.000 0.259 299 D C -2.006 174.265 176.300 -0.049 0.000 1.235 299 D CA -2.340 51.642 54.000 -0.031 0.000 0.924 299 D CB 1.228 42.038 40.800 0.017 0.000 1.143 299 D HN -0.172 nan 8.370 nan 0.000 0.529 300 P HA -0.113 nan 4.420 nan 0.000 0.220 300 P C 1.606 178.829 177.300 -0.129 0.000 1.148 300 P CA 0.385 63.389 63.100 -0.160 0.000 0.803 300 P CB 0.602 32.088 31.700 -0.357 0.000 0.782 301 V N 0.785 120.565 119.914 -0.223 0.000 2.261 301 V HA -0.222 3.913 4.120 0.026 0.000 0.246 301 V C 2.842 178.882 176.094 -0.090 0.000 1.047 301 V CA 2.063 64.262 62.300 -0.170 0.000 1.015 301 V CB -1.159 30.247 31.823 -0.694 0.000 0.642 301 V HN 0.051 nan 8.190 nan 0.000 0.446 302 R N 0.748 121.211 120.500 -0.061 0.000 2.096 302 R HA -0.148 4.207 4.340 0.026 0.000 0.240 302 R C 2.025 178.347 176.300 0.037 0.000 1.139 302 R CA 2.128 58.242 56.100 0.023 0.000 0.952 302 R CB -1.317 29.023 30.300 0.066 0.000 0.854 302 R HN 0.352 nan 8.270 nan 0.000 0.436 303 V N 0.248 120.189 119.914 0.045 0.000 2.255 303 V HA -0.275 3.861 4.120 0.026 0.000 0.247 303 V C 2.273 178.421 176.094 0.090 0.000 1.051 303 V CA 2.342 64.687 62.300 0.074 0.000 1.018 303 V CB -0.768 31.110 31.823 0.093 0.000 0.641 303 V HN 0.397 nan 8.190 nan 0.000 0.445 304 S N 0.091 115.861 115.700 0.116 0.000 2.370 304 S HA -0.104 4.382 4.470 0.026 0.000 0.226 304 S C 1.851 176.501 174.600 0.084 0.000 1.033 304 S CA 1.542 59.818 58.200 0.126 0.000 1.011 304 S CB -0.353 62.968 63.200 0.201 0.000 0.852 304 S HN 0.479 nan 8.310 nan 0.000 0.457 305 L N 1.051 122.315 121.223 0.068 0.000 2.341 305 L HA -0.012 4.343 4.340 0.026 0.000 0.214 305 L C 1.832 178.737 176.870 0.059 0.000 1.115 305 L CA 0.652 55.528 54.840 0.060 0.000 0.820 305 L CB -0.562 41.525 42.059 0.046 0.000 0.944 305 L HN 0.165 nan 8.230 nan 0.000 0.452 306 D N 0.159 120.587 120.400 0.046 0.000 2.144 306 D HA -0.141 4.514 4.640 0.026 0.000 0.199 306 D C 2.326 178.646 176.300 0.032 0.000 0.984 306 D CA 1.035 55.048 54.000 0.022 0.000 0.834 306 D CB 0.004 40.818 40.800 0.024 0.000 0.955 306 D HN 0.074 nan 8.370 nan 0.000 0.465 307 V N 0.601 120.550 119.914 0.057 0.000 2.343 307 V HA -0.212 3.923 4.120 0.026 0.000 0.247 307 V C 2.683 178.813 176.094 0.060 0.000 1.051 307 V CA 0.995 63.333 62.300 0.063 0.000 1.036 307 V CB -0.508 31.362 31.823 0.078 0.000 0.654 307 V HN 0.059 nan 8.190 nan 0.000 0.451 308 V N 0.457 120.409 119.914 0.063 0.000 2.324 308 V HA -0.317 3.819 4.120 0.026 0.000 0.250 308 V C 2.721 178.886 176.094 0.119 0.000 1.060 308 V CA 2.204 64.548 62.300 0.075 0.000 1.042 308 V CB -1.232 30.638 31.823 0.078 0.000 0.650 308 V HN 0.575 nan 8.190 nan 0.000 0.450 309 A N -0.147 122.743 122.820 0.117 0.000 1.877 309 A HA -0.234 4.101 4.320 0.026 0.000 0.216 309 A C 2.413 180.076 177.584 0.132 0.000 1.186 309 A CA 2.546 54.668 52.037 0.141 0.000 0.620 309 A CB -1.109 17.899 19.000 0.014 0.000 0.822 309 A HN 0.517 nan 8.150 nan 0.000 0.443 310 T N -0.168 114.415 114.554 0.049 0.000 2.665 310 T HA -0.122 4.243 4.350 0.026 0.000 0.268 310 T C 1.922 176.622 174.700 0.001 0.000 1.035 310 T CA 1.752 63.885 62.100 0.055 0.000 1.151 310 T CB -0.735 68.148 68.868 0.026 0.000 0.862 310 T HN 0.591 nan 8.240 nan 0.000 0.438 311 G N 0.722 109.515 108.800 -0.012 0.000 2.408 311 G HA2 0.112 4.087 3.960 0.026 0.000 0.215 311 G HA3 0.112 4.087 3.960 0.026 0.000 0.215 311 G C 1.855 176.787 174.900 0.052 0.000 1.156 311 G CA 0.750 45.799 45.100 -0.086 0.000 0.793 311 G HN 0.584 nan 8.290 nan 0.000 0.535 312 A N 0.624 123.525 122.820 0.136 0.000 1.908 312 A HA -0.024 4.311 4.320 0.026 0.000 0.218 312 A C 2.305 179.991 177.584 0.169 0.000 1.181 312 A CA 2.060 54.210 52.037 0.187 0.000 0.627 312 A CB -0.401 18.749 19.000 0.250 0.000 0.818 312 A HN 0.344 nan 8.150 nan 0.000 0.445 313 M N -0.665 119.005 119.600 0.116 0.000 2.059 313 M HA -0.101 4.394 4.480 0.026 0.000 0.259 313 M C 2.149 178.402 176.300 -0.077 0.000 1.072 313 M CA 2.034 57.318 55.300 -0.027 0.000 1.117 313 M CB -0.917 31.499 32.600 -0.308 0.000 1.320 313 M HN 0.386 nan 8.290 nan 0.000 0.408 314 L N 0.095 121.236 121.223 -0.137 0.000 1.994 314 L HA -0.219 4.137 4.340 0.026 0.000 0.208 314 L C 2.117 178.901 176.870 -0.145 0.000 1.071 314 L CA 2.037 56.728 54.840 -0.249 0.000 0.745 314 L CB -1.222 40.598 42.059 -0.399 0.000 0.892 314 L HN 0.384 nan 8.230 nan 0.000 0.431 315 Y N -1.037 119.269 120.300 0.011 0.000 2.263 315 Y HA -0.154 4.411 4.550 0.025 0.000 0.292 315 Y C 2.266 178.272 175.900 0.177 0.000 1.130 315 Y CA 0.649 58.819 58.100 0.116 0.000 1.179 315 Y CB -0.049 38.488 38.460 0.129 0.000 0.998 315 Y HN 0.256 nan 8.280 nan 0.000 0.532 316 D N -0.704 119.859 120.400 0.272 0.000 2.201 316 D HA -0.079 4.577 4.640 0.026 0.000 0.209 316 D C 1.911 178.350 176.300 0.233 0.000 0.961 316 D CA 0.948 55.095 54.000 0.245 0.000 0.861 316 D CB -0.116 40.798 40.800 0.190 0.000 0.997 316 D HN 0.397 nan 8.370 nan 0.000 0.486 317 Q N -0.030 119.838 119.800 0.113 0.000 2.061 317 Q HA 0.090 4.446 4.340 0.026 0.000 0.195 317 Q C 2.326 178.196 176.000 -0.216 0.000 0.967 317 Q CA 0.697 56.517 55.803 0.027 0.000 0.829 317 Q CB 0.357 29.105 28.738 0.017 0.000 0.900 317 Q HN 0.256 nan 8.270 nan 0.000 0.450 318 I N -0.312 120.041 120.570 -0.362 0.000 2.277 318 I HA -0.176 4.010 4.170 0.026 0.000 0.243 318 I C 2.183 178.210 176.117 -0.150 0.000 1.094 318 I CA 0.818 61.754 61.300 -0.606 0.000 1.393 318 I CB -0.297 37.363 38.000 -0.567 0.000 1.078 318 I HN 0.414 nan 8.210 nan 0.000 0.417 319 W N 1.830 122.989 121.300 -0.236 0.000 2.484 319 W HA -0.102 4.573 4.660 0.025 0.000 0.320 319 W C 2.138 178.655 176.519 -0.002 0.000 1.159 319 W CA 0.971 58.215 57.345 -0.170 0.000 1.352 319 W CB -0.310 29.025 29.460 -0.208 0.000 1.185 319 W HN -0.031 nan 8.180 nan 0.000 0.470 320 L N 1.007 122.167 121.223 -0.106 0.000 2.093 320 L HA -0.049 4.306 4.340 0.026 0.000 0.208 320 L C 2.642 179.503 176.870 -0.015 0.000 1.085 320 L CA 1.486 56.242 54.840 -0.139 0.000 0.755 320 L CB -1.304 40.840 42.059 0.142 0.000 0.904 320 L HN 0.174 nan 8.230 nan 0.000 0.435 321 G N -2.188 106.617 108.800 0.007 0.000 2.920 321 G HA2 -0.074 3.902 3.960 0.026 0.000 0.208 321 G HA3 -0.074 3.902 3.960 0.026 0.000 0.208 321 G C 1.458 176.199 174.900 -0.265 0.000 1.159 321 G CA 0.875 45.748 45.100 -0.379 0.000 0.784 321 G HN 0.325 nan 8.290 nan 0.000 0.535 322 S N -1.978 113.628 115.700 -0.158 0.000 3.792 322 S HA 0.132 4.618 4.470 0.026 0.000 0.229 322 S C 1.659 176.210 174.600 -0.082 0.000 1.118 322 S CA -0.161 57.995 58.200 -0.072 0.000 0.877 322 S CB -0.418 62.769 63.200 -0.022 0.000 1.077 322 S HN 0.163 nan 8.310 nan 0.000 0.546 323 Y N 1.667 121.835 120.300 -0.219 0.000 2.165 323 Y HA 0.058 4.623 4.550 0.026 0.000 0.286 323 Y C 2.225 177.909 175.900 -0.361 0.000 1.155 323 Y CA 1.506 59.472 58.100 -0.223 0.000 1.164 323 Y CB -0.024 38.320 38.460 -0.193 0.000 0.978 323 Y HN 0.284 nan 8.280 nan 0.000 0.513 324 M N -1.281 118.097 119.600 -0.370 0.000 2.428 324 M HA 0.136 4.631 4.480 0.026 0.000 0.239 324 M C 0.944 177.126 176.300 -0.198 0.000 1.121 324 M CA 0.581 55.656 55.300 -0.375 0.000 1.019 324 M CB -0.594 31.646 32.600 -0.600 0.000 1.485 324 M HN 0.372 nan 8.290 nan 0.000 0.484 325 S N -1.401 114.193 115.700 -0.177 0.000 5.707 325 S HA 0.703 5.188 4.470 0.026 0.000 0.128 325 S C 0.656 175.171 174.600 -0.142 0.000 1.212 325 S CA 0.269 58.380 58.200 -0.148 0.000 1.212 325 S CB 0.845 63.935 63.200 -0.183 0.000 2.049 325 S HN 0.478 nan 8.310 nan 0.000 0.680 326 G N -0.056 108.625 108.800 -0.200 0.000 2.373 326 G HA2 0.470 4.446 3.960 0.026 0.000 0.634 326 G HA3 0.470 4.446 3.960 0.026 0.000 0.634 326 G C 0.593 175.432 174.900 -0.101 0.000 1.267 326 G CA 0.325 45.364 45.100 -0.102 0.000 1.008 326 G HN 2.471 nan 8.290 nan 0.000 0.497 327 G N -2.241 106.539 108.800 -0.033 0.000 2.527 327 G HA2 0.108 4.083 3.960 0.026 0.000 0.227 327 G HA3 0.108 4.083 3.960 0.026 0.000 0.227 327 G C 1.213 176.131 174.900 0.030 0.000 1.291 327 G CA 1.084 46.173 45.100 -0.018 0.000 0.904 327 G HN 1.994 nan 8.290 nan 0.000 0.577 328 V N 1.847 121.787 119.914 0.044 0.000 2.278 328 V HA 0.173 4.308 4.120 0.026 0.000 0.251 328 V C 2.824 179.021 176.094 0.171 0.000 1.062 328 V CA 3.696 66.073 62.300 0.129 0.000 1.038 328 V CB -1.649 30.236 31.823 0.103 0.000 0.646 328 V HN 2.846 nan 8.190 nan 0.000 0.447 329 G N -0.727 108.063 108.800 -0.017 0.000 2.525 329 G HA2 -0.250 3.725 3.960 0.026 0.000 0.248 329 G HA3 -0.250 3.725 3.960 0.026 0.000 0.248 329 G C -0.297 174.589 174.900 -0.024 0.000 1.238 329 G CA 0.146 45.084 45.100 -0.271 0.000 0.926 329 G HN 0.289 nan 8.290 nan 0.000 0.574 330 F N 1.731 121.722 119.950 0.068 0.000 2.881 330 F HA 0.395 4.938 4.527 0.026 0.000 0.343 330 F C 2.115 177.944 175.800 0.048 0.000 1.233 330 F CA 0.040 58.118 58.000 0.130 0.000 1.262 330 F CB -0.016 39.099 39.000 0.192 0.000 0.980 330 F HN 0.405 nan 8.300 nan 0.000 0.506 331 T N -0.644 113.969 114.554 0.099 0.000 2.652 331 T HA -0.248 4.117 4.350 0.026 0.000 0.267 331 T C 1.886 176.562 174.700 -0.040 0.000 1.039 331 T CA 1.862 63.963 62.100 0.003 0.000 1.153 331 T CB -0.050 68.803 68.868 -0.024 0.000 0.863 331 T HN 0.361 nan 8.240 nan 0.000 0.428 332 Q N -0.820 118.934 119.800 -0.077 0.000 2.331 332 Q HA 0.049 4.404 4.340 0.026 0.000 0.203 332 Q C 1.907 177.792 176.000 -0.191 0.000 0.944 332 Q CA 0.498 56.173 55.803 -0.213 0.000 0.892 332 Q CB -0.132 28.502 28.738 -0.174 0.000 0.983 332 Q HN 0.534 nan 8.270 nan 0.000 0.482 333 Y N 0.409 120.642 120.300 -0.112 0.000 2.241 333 Y HA -0.266 4.299 4.550 0.025 0.000 0.286 333 Y C 2.248 178.089 175.900 -0.098 0.000 1.166 333 Y CA 1.230 59.254 58.100 -0.127 0.000 1.203 333 Y CB -0.465 37.907 38.460 -0.146 0.000 0.977 333 Y HN 0.171 nan 8.280 nan 0.000 0.529 334 A N -0.729 122.143 122.820 0.087 0.000 1.911 334 A HA -0.087 4.248 4.320 0.026 0.000 0.212 334 A C 2.325 179.785 177.584 -0.207 0.000 1.189 334 A CA 1.556 53.627 52.037 0.057 0.000 0.639 334 A CB -1.215 17.895 19.000 0.182 0.000 0.839 334 A HN 0.449 nan 8.150 nan 0.000 0.449 335 T N -1.464 112.786 114.554 -0.507 0.000 2.803 335 T HA -0.072 4.294 4.350 0.026 0.000 0.269 335 T C 1.867 176.167 174.700 -0.667 0.000 1.052 335 T CA 1.681 63.153 62.100 -1.047 0.000 1.136 335 T CB -0.665 67.642 68.868 -0.934 0.000 0.864 335 T HN 0.610 nan 8.240 nan 0.000 0.467 336 A N 1.865 124.468 122.820 -0.363 0.000 1.986 336 A HA 0.198 4.533 4.320 0.026 0.000 0.220 336 A C 2.645 180.148 177.584 -0.136 0.000 1.171 336 A CA 1.887 53.804 52.037 -0.200 0.000 0.640 336 A CB -1.204 17.721 19.000 -0.124 0.000 0.811 336 A HN 0.877 nan 8.150 nan 0.000 0.451 337 A N -1.781 120.978 122.820 -0.100 0.000 2.251 337 A HA 0.344 4.680 4.320 0.026 0.000 0.209 337 A C 1.137 178.793 177.584 0.122 0.000 1.187 337 A CA 0.900 52.954 52.037 0.028 0.000 0.823 337 A CB -0.343 18.718 19.000 0.103 0.000 0.846 337 A HN 1.112 nan 8.150 nan 0.000 0.486 338 Y N -1.886 118.433 120.300 0.032 0.000 2.779 338 Y HA 0.417 4.982 4.550 0.025 0.000 0.251 338 Y C 0.082 176.007 175.900 0.042 0.000 1.145 338 Y CA -0.392 57.744 58.100 0.059 0.000 1.201 338 Y CB -0.672 37.871 38.460 0.137 0.000 1.281 338 Y HN 0.077 nan 8.280 nan 0.000 0.563 339 T N -3.351 111.174 114.554 -0.049 0.000 2.906 339 T HA 0.501 4.866 4.350 0.026 0.000 0.295 339 T C -0.334 174.381 174.700 0.025 0.000 1.061 339 T CA -0.235 61.855 62.100 -0.016 0.000 1.000 339 T CB 1.942 70.758 68.868 -0.087 0.000 1.103 339 T HN 0.095 nan 8.240 nan 0.000 0.486 340 D N 0.634 121.063 120.400 0.047 0.000 3.028 340 D HA -0.172 4.483 4.640 0.026 0.000 0.207 340 D C 0.283 176.639 176.300 0.094 0.000 1.100 340 D CA 1.300 55.344 54.000 0.074 0.000 0.995 340 D CB -1.511 39.352 40.800 0.104 0.000 1.108 340 D HN 0.849 nan 8.370 nan 0.000 0.421 341 N N -1.054 117.689 118.700 0.072 0.000 2.708 341 N HA -0.247 4.508 4.740 0.026 0.000 0.249 341 N C 1.114 176.682 175.510 0.097 0.000 1.097 341 N CA 1.268 54.374 53.050 0.092 0.000 0.710 341 N CB -1.304 37.242 38.487 0.098 0.000 1.032 341 N HN 0.508 nan 8.380 nan 0.000 0.551 342 I N -0.284 120.282 120.570 -0.007 0.000 2.296 342 I HA -0.168 4.017 4.170 0.026 0.000 0.242 342 I C 2.369 178.205 176.117 -0.468 0.000 1.087 342 I CA 0.468 61.632 61.300 -0.227 0.000 1.393 342 I CB -0.132 37.652 38.000 -0.360 0.000 1.093 342 I HN 0.110 nan 8.210 nan 0.000 0.421 343 L N 1.354 122.409 121.223 -0.280 0.000 2.081 343 L HA -0.266 4.090 4.340 0.026 0.000 0.212 343 L C 1.702 178.569 176.870 -0.004 0.000 1.080 343 L CA 2.128 56.873 54.840 -0.158 0.000 0.754 343 L CB -0.853 41.193 42.059 -0.022 0.000 0.893 343 L HN 0.230 nan 8.230 nan 0.000 0.433 344 D N -0.795 119.641 120.400 0.060 0.000 2.097 344 D HA -0.225 4.431 4.640 0.026 0.000 0.195 344 D C 1.955 178.460 176.300 0.341 0.000 0.989 344 D CA 1.490 55.595 54.000 0.175 0.000 0.827 344 D CB -0.371 40.577 40.800 0.247 0.000 0.966 344 D HN 0.498 nan 8.370 nan 0.000 0.456 345 D N -0.178 120.402 120.400 0.299 0.000 2.104 345 D HA -0.163 4.492 4.640 0.026 0.000 0.194 345 D C 1.906 178.581 176.300 0.625 0.000 0.994 345 D CA 0.870 55.127 54.000 0.429 0.000 0.830 345 D CB -0.138 40.913 40.800 0.417 0.000 0.959 345 D HN 0.295 nan 8.370 nan 0.000 0.452 346 F N 0.479 120.662 119.950 0.389 0.000 2.186 346 F HA -0.111 4.433 4.527 0.028 0.000 0.299 346 F C 2.717 178.700 175.800 0.305 0.000 1.090 346 F CA 0.766 59.006 58.000 0.399 0.000 1.307 346 F CB -0.147 39.025 39.000 0.286 0.000 1.019 346 F HN -0.032 nan 8.300 nan 0.000 0.489 347 T N -1.085 113.707 114.554 0.397 0.000 2.896 347 T HA -0.139 4.226 4.350 0.026 0.000 0.263 347 T C 1.476 176.300 174.700 0.207 0.000 1.050 347 T CA 0.898 63.145 62.100 0.244 0.000 1.140 347 T CB -0.521 68.418 68.868 0.117 0.000 0.877 347 T HN 0.211 nan 8.240 nan 0.000 0.457 348 Y N 0.437 120.884 120.300 0.244 0.000 2.224 348 Y HA -0.077 4.487 4.550 0.024 0.000 0.289 348 Y C 2.107 178.084 175.900 0.128 0.000 1.146 348 Y CA 0.944 59.142 58.100 0.164 0.000 1.182 348 Y CB -0.427 38.106 38.460 0.123 0.000 0.983 348 Y HN 0.206 nan 8.280 nan 0.000 0.524 349 F N 0.392 120.432 119.950 0.149 0.000 2.069 349 F HA -0.163 4.377 4.527 0.022 0.000 0.298 349 F C 2.321 178.121 175.800 -0.001 0.000 1.113 349 F CA 1.908 59.848 58.000 -0.100 0.000 1.214 349 F CB -0.855 37.738 39.000 -0.678 0.000 0.978 349 F HN -0.049 nan 8.300 nan 0.000 0.474 350 G N 0.548 109.380 108.800 0.054 0.000 2.418 350 G HA2 -0.275 3.700 3.960 0.026 0.000 0.217 350 G HA3 -0.275 3.700 3.960 0.026 0.000 0.217 350 G C 1.791 176.757 174.900 0.110 0.000 1.158 350 G CA 0.797 45.920 45.100 0.038 0.000 0.771 350 G HN 0.310 nan 8.290 nan 0.000 0.545 351 K N 0.894 121.417 120.400 0.204 0.000 2.063 351 K HA -0.112 4.223 4.320 0.026 0.000 0.208 351 K C 2.329 178.960 176.600 0.051 0.000 1.048 351 K CA 1.693 58.095 56.287 0.192 0.000 0.928 351 K CB -0.295 32.258 32.500 0.087 0.000 0.713 351 K HN 0.444 nan 8.250 nan 0.000 0.442 352 E N -0.707 119.490 120.200 -0.005 0.000 2.051 352 E HA -0.210 4.155 4.350 0.026 0.000 0.192 352 E C 1.973 178.501 176.600 -0.120 0.000 0.991 352 E CA 1.320 57.681 56.400 -0.066 0.000 0.799 352 E CB -0.361 29.296 29.700 -0.073 0.000 0.748 352 E HN 0.312 nan 8.360 nan 0.000 0.449 353 Y N 1.443 121.514 120.300 -0.382 0.000 2.040 353 Y HA -0.334 4.224 4.550 0.013 0.000 0.275 353 Y C 2.196 178.033 175.900 -0.104 0.000 1.171 353 Y CA 1.605 59.513 58.100 -0.321 0.000 1.123 353 Y CB -0.549 37.631 38.460 -0.468 0.000 0.963 353 Y HN -0.162 nan 8.280 nan 0.000 0.493 354 V N 0.363 120.278 119.914 0.000 0.000 2.343 354 V HA -0.298 3.837 4.120 0.026 0.000 0.247 354 V C 2.346 178.445 176.094 0.009 0.000 1.051 354 V CA 2.236 64.580 62.300 0.073 0.000 1.036 354 V CB -0.707 31.244 31.823 0.214 0.000 0.654 354 V HN 0.476 nan 8.190 nan 0.000 0.451 355 E N 0.009 120.199 120.200 -0.017 0.000 2.058 355 E HA -0.262 4.103 4.350 0.026 0.000 0.194 355 E C 1.870 178.427 176.600 -0.072 0.000 0.997 355 E CA 1.785 58.166 56.400 -0.032 0.000 0.801 355 E CB -0.062 29.615 29.700 -0.038 0.000 0.746 355 E HN 0.620 nan 8.360 nan 0.000 0.450 356 D N -0.078 120.247 120.400 -0.125 0.000 2.097 356 D HA -0.146 4.510 4.640 0.026 0.000 0.197 356 D C 1.822 177.987 176.300 -0.225 0.000 0.984 356 D CA 1.068 54.977 54.000 -0.152 0.000 0.826 356 D CB -0.180 40.528 40.800 -0.153 0.000 0.973 356 D HN 0.132 nan 8.370 nan 0.000 0.460 357 K N -0.733 119.439 120.400 -0.379 0.000 2.007 357 K HA -0.093 4.242 4.320 0.026 0.000 0.206 357 K C 1.685 178.016 176.600 -0.448 0.000 1.047 357 K CA 1.060 57.024 56.287 -0.537 0.000 0.937 357 K CB 0.033 31.965 32.500 -0.946 0.000 0.718 357 K HN 0.158 nan 8.250 nan 0.000 0.438 358 Y N -0.827 119.379 120.300 -0.158 0.000 2.558 358 Y HA 0.295 4.865 4.550 0.033 0.000 0.273 358 Y C 0.583 176.444 175.900 -0.064 0.000 1.100 358 Y CA 0.146 58.192 58.100 -0.090 0.000 1.276 358 Y CB 1.170 39.589 38.460 -0.068 0.000 1.196 358 Y HN 0.253 nan 8.280 nan 0.000 0.527 359 G N 1.554 110.403 108.800 0.080 0.000 3.172 359 G HA2 -0.212 3.763 3.960 0.026 0.000 0.686 359 G HA3 -0.212 3.763 3.960 0.026 0.000 0.686 359 G C -0.663 174.274 174.900 0.061 0.000 1.009 359 G CA -0.833 44.296 45.100 0.048 0.000 0.787 359 G HN 0.190 nan 8.290 nan 0.000 0.559 360 L N 1.664 122.905 121.223 0.029 0.000 2.559 360 L HA 0.126 4.482 4.340 0.026 0.000 0.282 360 L C 2.029 178.911 176.870 0.020 0.000 1.232 360 L CA 0.654 55.510 54.840 0.027 0.000 0.885 360 L CB 0.234 42.282 42.059 -0.019 0.000 1.131 360 L HN 1.327 nan 8.230 nan 0.000 0.498 361 C N 1.038 120.349 119.300 0.019 0.000 4.320 361 C HA -0.129 4.347 4.460 0.026 0.000 0.281 361 C C 1.474 176.455 174.990 -0.016 0.000 1.432 361 C CA 0.524 59.539 59.018 -0.005 0.000 1.884 361 C CB -2.082 25.654 27.740 -0.006 0.000 1.378 361 C HN 0.899 nan 8.230 nan 0.000 0.771 362 E N -0.123 120.073 120.200 -0.006 0.000 2.526 362 E HA 0.394 4.759 4.350 0.026 0.000 0.208 362 E C 0.977 177.566 176.600 -0.018 0.000 0.997 362 E CA 0.787 57.191 56.400 0.007 0.000 0.961 362 E CB 0.361 30.089 29.700 0.047 0.000 1.030 362 E HN 0.812 nan 8.360 nan 0.000 0.483 363 A N 2.871 125.597 122.820 -0.157 0.000 2.407 363 A HA 0.386 4.721 4.320 0.026 0.000 0.248 363 A C -2.251 175.219 177.584 -0.190 0.000 1.082 363 A CA -1.117 50.700 52.037 -0.367 0.000 0.785 363 A CB -0.213 18.210 19.000 -0.961 0.000 1.020 363 A HN -0.157 nan 8.150 nan 0.000 0.489 364 P HA -0.031 nan 4.420 nan 0.000 0.263 364 P C -0.403 176.842 177.300 -0.092 0.000 1.175 364 P CA 0.325 63.381 63.100 -0.073 0.000 0.761 364 P CB 0.220 31.900 31.700 -0.033 0.000 0.794 365 N N 3.177 121.840 118.700 -0.061 0.000 2.807 365 N HA 0.089 4.844 4.740 0.026 0.000 0.259 365 N C -0.606 174.878 175.510 -0.044 0.000 1.149 365 N CA -0.185 52.836 53.050 -0.048 0.000 1.042 365 N CB -0.891 37.577 38.487 -0.031 0.000 1.367 365 N HN 0.382 nan 8.380 nan 0.000 0.516 366 N N 1.122 119.796 118.700 -0.043 0.000 3.277 366 N HA 0.155 4.910 4.740 0.026 0.000 0.278 366 N C 0.214 175.713 175.510 -0.018 0.000 1.544 366 N CA -0.729 52.290 53.050 -0.051 0.000 0.869 366 N CB 0.122 38.579 38.487 -0.050 0.000 1.584 366 N HN -0.035 nan 8.380 nan 0.000 0.564 367 M N 0.196 119.782 119.600 -0.024 0.000 2.213 367 M HA 0.044 4.539 4.480 0.026 0.000 0.263 367 M C 0.321 176.645 176.300 0.040 0.000 1.062 367 M CA 1.645 56.959 55.300 0.023 0.000 1.105 367 M CB -0.918 31.689 32.600 0.011 0.000 1.385 367 M HN 0.578 nan 8.290 nan 0.000 0.417 368 D N -0.891 119.528 120.400 0.031 0.000 2.117 368 D HA -0.130 4.526 4.640 0.026 0.000 0.197 368 D C 1.848 178.192 176.300 0.074 0.000 0.987 368 D CA 1.952 55.985 54.000 0.056 0.000 0.829 368 D CB -0.522 40.313 40.800 0.058 0.000 0.961 368 D HN 0.350 nan 8.370 nan 0.000 0.460 369 T N 0.748 115.321 114.554 0.032 0.000 2.708 369 T HA -0.106 4.259 4.350 0.026 0.000 0.266 369 T C 2.283 177.004 174.700 0.035 0.000 1.037 369 T CA 0.918 63.017 62.100 -0.003 0.000 1.146 369 T CB -0.415 68.361 68.868 -0.154 0.000 0.865 369 T HN -0.037 nan 8.240 nan 0.000 0.435 370 V N 1.763 121.702 119.914 0.041 0.000 2.231 370 V HA -0.209 3.926 4.120 0.026 0.000 0.248 370 V C 2.530 178.661 176.094 0.061 0.000 1.054 370 V CA 1.776 64.113 62.300 0.061 0.000 1.015 370 V CB -0.843 31.040 31.823 0.099 0.000 0.638 370 V HN 0.432 nan 8.190 nan 0.000 0.444 371 L N 0.038 121.303 121.223 0.069 0.000 2.042 371 L HA -0.211 4.145 4.340 0.026 0.000 0.210 371 L C 2.423 179.328 176.870 0.058 0.000 1.076 371 L CA 2.030 56.906 54.840 0.059 0.000 0.749 371 L CB -0.720 41.380 42.059 0.069 0.000 0.893 371 L HN 0.460 nan 8.230 nan 0.000 0.432 372 D N 0.010 120.476 120.400 0.110 0.000 2.081 372 D HA -0.154 4.502 4.640 0.026 0.000 0.194 372 D C 2.076 178.472 176.300 0.158 0.000 0.986 372 D CA 1.714 55.816 54.000 0.170 0.000 0.837 372 D CB -0.126 40.848 40.800 0.289 0.000 0.985 372 D HN 0.001 nan 8.370 nan 0.000 0.448 373 V N 1.066 121.106 119.914 0.210 0.000 2.295 373 V HA -0.162 3.973 4.120 0.026 0.000 0.246 373 V C 2.691 178.801 176.094 0.027 0.000 1.049 373 V CA 1.974 64.385 62.300 0.184 0.000 1.024 373 V CB -1.164 30.790 31.823 0.218 0.000 0.648 373 V HN 0.383 nan 8.190 nan 0.000 0.447 374 A N -0.157 122.660 122.820 -0.004 0.000 1.933 374 A HA -0.218 4.117 4.320 0.026 0.000 0.218 374 A C 2.392 179.877 177.584 -0.165 0.000 1.175 374 A CA 2.507 54.508 52.037 -0.062 0.000 0.628 374 A CB -0.933 18.040 19.000 -0.044 0.000 0.814 374 A HN 0.520 nan 8.150 nan 0.000 0.444 375 T N -0.578 113.854 114.554 -0.202 0.000 2.737 375 T HA -0.113 4.253 4.350 0.026 0.000 0.265 375 T C 1.924 176.313 174.700 -0.518 0.000 1.038 375 T CA 1.656 63.481 62.100 -0.459 0.000 1.144 375 T CB -0.214 68.451 68.868 -0.337 0.000 0.866 375 T HN 0.635 nan 8.240 nan 0.000 0.434 376 E N 0.995 121.045 120.200 -0.250 0.000 2.051 376 E HA -0.099 4.266 4.350 0.026 0.000 0.192 376 E C 2.083 178.656 176.600 -0.044 0.000 0.991 376 E CA 1.018 57.315 56.400 -0.172 0.000 0.799 376 E CB -0.549 28.889 29.700 -0.437 0.000 0.748 376 E HN 0.262 nan 8.360 nan 0.000 0.449 377 V N 0.296 120.198 119.914 -0.020 0.000 2.427 377 V HA -0.224 3.911 4.120 0.026 0.000 0.248 377 V C 2.278 178.358 176.094 -0.023 0.000 1.051 377 V CA 2.043 64.408 62.300 0.109 0.000 1.048 377 V CB -0.824 31.077 31.823 0.131 0.000 0.666 377 V HN 0.348 nan 8.190 nan 0.000 0.456 378 T N 0.105 114.572 114.554 -0.146 0.000 2.684 378 T HA -0.172 4.193 4.350 0.026 0.000 0.267 378 T C 1.698 176.330 174.700 -0.114 0.000 1.036 378 T CA 1.784 63.770 62.100 -0.190 0.000 1.148 378 T CB -0.410 68.282 68.868 -0.292 0.000 0.863 378 T HN 0.445 nan 8.240 nan 0.000 0.436 379 F N -0.416 119.456 119.950 -0.129 0.000 2.186 379 F HA -0.052 4.485 4.527 0.017 0.000 0.299 379 F C 2.352 178.015 175.800 -0.228 0.000 1.090 379 F CA 0.606 58.510 58.000 -0.159 0.000 1.307 379 F CB -0.326 38.615 39.000 -0.098 0.000 1.019 379 F HN 0.123 nan 8.300 nan 0.000 0.489 380 Y N 1.180 121.355 120.300 -0.207 0.000 2.053 380 Y HA -0.234 4.330 4.550 0.024 0.000 0.277 380 Y C 2.457 177.999 175.900 -0.597 0.000 1.159 380 Y CA 1.685 59.481 58.100 -0.506 0.000 1.125 380 Y CB -1.032 36.820 38.460 -1.013 0.000 0.969 380 Y HN -0.020 nan 8.280 nan 0.000 0.492 381 G N 0.172 108.545 108.800 -0.712 0.000 2.446 381 G HA2 -0.253 3.723 3.960 0.026 0.000 0.217 381 G HA3 -0.253 3.723 3.960 0.026 0.000 0.217 381 G C 1.695 176.106 174.900 -0.816 0.000 1.168 381 G CA 1.278 45.528 45.100 -1.417 0.000 0.771 381 G HN 0.465 nan 8.290 nan 0.000 0.551 382 L N -0.033 120.965 121.223 -0.376 0.000 2.093 382 L HA -0.027 4.329 4.340 0.026 0.000 0.208 382 L C 2.842 179.657 176.870 -0.093 0.000 1.085 382 L CA 0.981 55.753 54.840 -0.113 0.000 0.755 382 L CB -0.359 41.562 42.059 -0.231 0.000 0.904 382 L HN 0.274 nan 8.230 nan 0.000 0.435 383 E N -0.338 119.720 120.200 -0.236 0.000 2.153 383 E HA -0.222 4.143 4.350 0.026 0.000 0.194 383 E C 2.233 178.693 176.600 -0.233 0.000 0.988 383 E CA 0.828 57.097 56.400 -0.217 0.000 0.811 383 E CB 0.084 29.630 29.700 -0.257 0.000 0.746 383 E HN 0.483 nan 8.360 nan 0.000 0.466 384 Q N -0.307 119.266 119.800 -0.379 0.000 2.084 384 Q HA -0.167 4.189 4.340 0.026 0.000 0.202 384 Q C 1.912 177.867 176.000 -0.076 0.000 0.978 384 Q CA 1.365 57.064 55.803 -0.174 0.000 0.844 384 Q CB -0.711 27.895 28.738 -0.222 0.000 0.898 384 Q HN 0.546 nan 8.270 nan 0.000 0.426 385 Y N 1.440 121.733 120.300 -0.012 0.000 2.181 385 Y HA -0.190 4.375 4.550 0.025 0.000 0.288 385 Y C 2.349 178.244 175.900 -0.008 0.000 1.146 385 Y CA 1.162 59.269 58.100 0.012 0.000 1.164 385 Y CB -0.014 38.457 38.460 0.018 0.000 0.982 385 Y HN 0.247 nan 8.280 nan 0.000 0.515 386 E N -0.075 120.188 120.200 0.104 0.000 2.106 386 E HA -0.161 4.205 4.350 0.026 0.000 0.192 386 E C 1.856 178.418 176.600 -0.064 0.000 0.984 386 E CA 1.084 57.492 56.400 0.012 0.000 0.806 386 E CB -0.054 29.651 29.700 0.009 0.000 0.750 386 E HN 0.511 nan 8.360 nan 0.000 0.458 387 E N -0.128 119.988 120.200 -0.141 0.000 2.371 387 E HA -0.046 4.319 4.350 0.026 0.000 0.194 387 E C -0.206 176.091 176.600 -0.505 0.000 1.012 387 E CA 0.582 56.778 56.400 -0.341 0.000 0.860 387 E CB 0.306 29.696 29.700 -0.517 0.000 0.811 387 E HN 0.304 nan 8.360 nan 0.000 0.502 388 Y N -0.039 120.272 120.300 0.017 0.000 2.646 388 Y HA 0.248 4.813 4.550 0.025 0.000 0.334 388 Y C -1.843 174.078 175.900 0.035 0.000 1.004 388 Y CA -2.558 55.567 58.100 0.041 0.000 1.301 388 Y CB 1.579 40.081 38.460 0.069 0.000 1.093 388 Y HN -0.087 nan 8.280 nan 0.000 0.530 389 P HA -0.242 nan 4.420 nan 0.000 0.217 389 P C 1.441 178.783 177.300 0.071 0.000 1.148 389 P CA 2.085 65.223 63.100 0.063 0.000 0.828 389 P CB 0.412 32.110 31.700 -0.004 0.000 0.783 390 A N -0.686 122.192 122.820 0.098 0.000 1.933 390 A HA -0.185 4.150 4.320 0.026 0.000 0.218 390 A C 2.121 179.864 177.584 0.265 0.000 1.175 390 A CA 1.422 53.538 52.037 0.132 0.000 0.628 390 A CB -1.637 17.523 19.000 0.267 0.000 0.814 390 A HN 0.164 nan 8.150 nan 0.000 0.444 391 L N -0.928 120.417 121.223 0.204 0.000 2.083 391 L HA -0.101 4.255 4.340 0.026 0.000 0.209 391 L C 2.192 179.228 176.870 0.277 0.000 1.083 391 L CA 1.813 56.730 54.840 0.128 0.000 0.752 391 L CB -0.459 41.529 42.059 -0.118 0.000 0.899 391 L HN 0.370 nan 8.230 nan 0.000 0.433 392 L N -0.629 120.762 121.223 0.281 0.000 2.156 392 L HA -0.125 4.230 4.340 0.026 0.000 0.208 392 L C 2.374 179.342 176.870 0.163 0.000 1.095 392 L CA 1.760 56.729 54.840 0.214 0.000 0.770 392 L CB -0.621 41.516 42.059 0.129 0.000 0.914 392 L HN 0.503 nan 8.230 nan 0.000 0.439 393 E N -1.137 119.169 120.200 0.176 0.000 2.216 393 E HA -0.222 4.143 4.350 0.026 0.000 0.192 393 E C 1.705 178.515 176.600 0.350 0.000 0.988 393 E CA 0.917 57.438 56.400 0.201 0.000 0.834 393 E CB 0.011 29.756 29.700 0.074 0.000 0.772 393 E HN 0.587 nan 8.360 nan 0.000 0.479 394 D N 0.677 121.294 120.400 0.361 0.000 2.077 394 D HA -0.142 4.513 4.640 0.026 0.000 0.196 394 D C 0.409 176.891 176.300 0.304 0.000 0.986 394 D CA 1.079 55.287 54.000 0.346 0.000 0.829 394 D CB 0.023 40.981 40.800 0.263 0.000 0.983 394 D HN 0.128 nan 8.370 nan 0.000 0.453 395 Q N 0.545 120.460 119.800 0.191 0.000 2.844 395 Q HA 0.147 4.503 4.340 0.026 0.000 0.235 395 Q C 0.321 176.276 176.000 -0.076 0.000 1.336 395 Q CA -0.401 55.407 55.803 0.008 0.000 1.026 395 Q CB -0.095 28.676 28.738 0.054 0.000 1.513 395 Q HN 0.474 nan 8.270 nan 0.000 0.577 396 F N -0.978 118.979 119.950 0.012 0.000 2.456 396 F HA 0.203 4.746 4.527 0.026 0.000 0.298 396 F C 1.008 176.775 175.800 -0.055 0.000 1.104 396 F CA -0.414 57.574 58.000 -0.019 0.000 1.435 396 F CB -0.110 38.893 39.000 0.005 0.000 1.078 396 F HN 0.150 nan 8.300 nan 0.000 0.546 397 G N 0.236 108.763 108.800 -0.454 0.000 2.356 397 G HA2 0.415 4.390 3.960 0.026 0.000 0.298 397 G HA3 0.415 4.390 3.960 0.026 0.000 0.298 397 G C 0.942 175.736 174.900 -0.177 0.000 1.145 397 G CA -0.269 44.689 45.100 -0.237 0.000 0.850 397 G HN 0.356 nan 8.290 nan 0.000 0.487 398 G N 1.313 110.048 108.800 -0.110 0.000 2.422 398 G HA2 -0.088 3.887 3.960 0.026 0.000 0.218 398 G HA3 -0.088 3.887 3.960 0.026 0.000 0.218 398 G C 1.296 176.027 174.900 -0.282 0.000 1.146 398 G CA 1.054 46.060 45.100 -0.157 0.000 0.769 398 G HN 0.657 nan 8.290 nan 0.000 0.547 402 A N 1.726 124.499 122.820 -0.078 0.000 1.883 402 A HA -0.030 4.305 4.320 0.026 0.000 0.217 402 A C 2.233 179.667 177.584 -0.250 0.000 1.186 402 A CA 2.219 54.111 52.037 -0.241 0.000 0.624 402 A CB -0.592 18.035 19.000 -0.622 0.000 0.822 402 A HN 0.377 nan 8.150 nan 0.000 0.444 403 A N -0.812 121.901 122.820 -0.179 0.000 1.898 403 A HA 0.060 4.396 4.320 0.026 0.000 0.216 403 A C 2.252 179.837 177.584 0.003 0.000 1.181 403 A CA 1.711 53.692 52.037 -0.093 0.000 0.620 403 A CB -0.870 18.166 19.000 0.061 0.000 0.819 403 A HN 0.370 nan 8.150 nan 0.000 0.442 404 V N -0.414 119.540 119.914 0.066 0.000 2.270 404 V HA -0.217 3.918 4.120 0.026 0.000 0.245 404 V C 2.590 178.831 176.094 0.245 0.000 1.043 404 V CA 2.006 64.395 62.300 0.148 0.000 1.014 404 V CB -0.792 31.123 31.823 0.154 0.000 0.645 404 V HN 0.360 nan 8.190 nan 0.000 0.447 405 V N 0.358 120.438 119.914 0.278 0.000 2.295 405 V HA -0.262 3.874 4.120 0.026 0.000 0.246 405 V C 2.709 178.824 176.094 0.034 0.000 1.049 405 V CA 2.099 64.532 62.300 0.221 0.000 1.024 405 V CB -1.174 30.721 31.823 0.120 0.000 0.648 405 V HN 0.559 nan 8.190 nan 0.000 0.447 406 A N -0.083 122.630 122.820 -0.178 0.000 1.933 406 A HA -0.098 4.237 4.320 0.026 0.000 0.218 406 A C 2.424 179.998 177.584 -0.017 0.000 1.175 406 A CA 2.026 53.822 52.037 -0.401 0.000 0.628 406 A CB -0.755 17.465 19.000 -1.300 0.000 0.814 406 A HN 0.574 nan 8.150 nan 0.000 0.444 407 A N -0.070 122.852 122.820 0.169 0.000 1.902 407 A HA 0.137 4.473 4.320 0.026 0.000 0.217 407 A C 2.505 180.177 177.584 0.148 0.000 1.181 407 A CA 2.133 54.357 52.037 0.312 0.000 0.623 407 A CB -1.007 18.148 19.000 0.257 0.000 0.818 407 A HN 1.052 nan 8.150 nan 0.000 0.443 408 A N -0.203 122.710 122.820 0.155 0.000 1.902 408 A HA 0.166 4.501 4.320 0.026 0.000 0.217 408 A C 2.509 180.138 177.584 0.075 0.000 1.181 408 A CA 2.121 54.250 52.037 0.153 0.000 0.623 408 A CB -0.997 18.190 19.000 0.311 0.000 0.818 408 A HN 1.038 nan 8.150 nan 0.000 0.443 409 A N -0.527 122.326 122.820 0.056 0.000 1.873 409 A HA 0.163 4.498 4.320 0.026 0.000 0.215 409 A C 2.411 179.986 177.584 -0.016 0.000 1.186 409 A CA 1.908 53.948 52.037 0.006 0.000 0.616 409 A CB -1.371 17.602 19.000 -0.046 0.000 0.823 409 A HN 0.686 nan 8.150 nan 0.000 0.442 410 G N -0.805 108.008 108.800 0.021 0.000 2.414 410 G HA2 -0.249 3.726 3.960 0.026 0.000 0.215 410 G HA3 -0.249 3.726 3.960 0.026 0.000 0.215 410 G C 1.622 176.440 174.900 -0.137 0.000 1.188 410 G CA 1.293 46.395 45.100 0.003 0.000 0.783 410 G HN 0.510 nan 8.290 nan 0.000 0.537 411 C N 0.869 120.047 119.300 -0.204 0.000 2.413 411 C HA -0.061 4.414 4.460 0.026 0.000 0.276 411 C C 3.429 177.877 174.990 -0.902 0.000 1.236 411 C CA 1.421 60.127 59.018 -0.520 0.000 1.735 411 C CB -0.978 26.464 27.740 -0.497 0.000 2.031 411 C HN 0.421 nan 8.230 nan 0.000 0.474 412 S N 0.364 115.763 115.700 -0.503 0.000 2.370 412 S HA -0.180 4.305 4.470 0.026 0.000 0.226 412 S C 1.849 176.370 174.600 -0.132 0.000 1.033 412 S CA 2.064 60.111 58.200 -0.256 0.000 1.011 412 S CB -0.628 62.591 63.200 0.033 0.000 0.852 412 S HN 0.730 nan 8.310 nan 0.000 0.457 413 T N 2.388 116.877 114.554 -0.109 0.000 2.746 413 T HA -0.043 4.322 4.350 0.026 0.000 0.267 413 T C 2.149 176.798 174.700 -0.085 0.000 1.039 413 T CA 1.262 63.329 62.100 -0.055 0.000 1.142 413 T CB -0.506 68.344 68.868 -0.031 0.000 0.866 413 T HN 0.479 nan 8.240 nan 0.000 0.444 414 A N 0.753 123.481 122.820 -0.154 0.000 1.969 414 A HA 0.042 4.377 4.320 0.026 0.000 0.218 414 A C 2.012 179.574 177.584 -0.036 0.000 1.169 414 A CA 1.078 53.038 52.037 -0.127 0.000 0.635 414 A CB -1.062 17.834 19.000 -0.173 0.000 0.810 414 A HN 0.594 nan 8.150 nan 0.000 0.445 415 F N 0.023 119.955 119.950 -0.031 0.000 2.216 415 F HA -0.184 4.357 4.527 0.023 0.000 0.300 415 F C 2.774 178.549 175.800 -0.042 0.000 1.085 415 F CA 0.472 58.455 58.000 -0.029 0.000 1.326 415 F CB -0.121 38.874 39.000 -0.007 0.000 1.027 415 F HN 0.318 nan 8.300 nan 0.000 0.497 416 A N 0.261 123.146 122.820 0.109 0.000 1.872 416 A HA -0.149 4.186 4.320 0.026 0.000 0.214 416 A C 2.177 179.705 177.584 -0.094 0.000 1.187 416 A CA 1.944 53.962 52.037 -0.030 0.000 0.614 416 A CB -1.162 17.749 19.000 -0.148 0.000 0.826 416 A HN 0.378 nan 8.150 nan 0.000 0.442 417 T N -4.405 110.099 114.554 -0.083 0.000 3.057 417 T HA 0.367 4.732 4.350 0.026 0.000 0.254 417 T C 1.462 176.126 174.700 -0.061 0.000 1.094 417 T CA 1.131 63.178 62.100 -0.089 0.000 1.088 417 T CB -0.165 68.660 68.868 -0.072 0.000 0.934 417 T HN 1.678 nan 8.240 nan 0.000 0.497 418 G N 1.762 110.534 108.800 -0.046 0.000 2.203 418 G HA2 -0.261 3.715 3.960 0.026 0.000 0.263 418 G HA3 -0.261 3.715 3.960 0.026 0.000 0.263 418 G C -0.108 174.720 174.900 -0.120 0.000 1.012 418 G CA 0.269 45.325 45.100 -0.073 0.000 0.749 418 G HN 0.810 nan 8.290 nan 0.000 0.512 419 N N -0.635 118.004 118.700 -0.102 0.000 2.310 419 N HA 0.577 5.332 4.740 0.026 0.000 0.292 419 N C 1.082 176.539 175.510 -0.089 0.000 1.049 419 N CA 0.234 53.228 53.050 -0.092 0.000 0.849 419 N CB 1.592 40.059 38.487 -0.033 0.000 1.532 419 N HN 0.297 nan 8.380 nan 0.000 0.479 420 A N 2.739 125.499 122.820 -0.100 0.000 2.015 420 A HA -0.146 4.189 4.320 0.026 0.000 0.219 420 A C 1.772 179.301 177.584 -0.093 0.000 1.163 420 A CA 1.391 53.372 52.037 -0.094 0.000 0.646 420 A CB -0.159 18.801 19.000 -0.066 0.000 0.806 420 A HN 0.713 nan 8.150 nan 0.000 0.448 421 Q N -0.189 119.578 119.800 -0.055 0.000 2.123 421 Q HA -0.087 4.268 4.340 0.026 0.000 0.199 421 Q C 2.200 178.169 176.000 -0.052 0.000 0.966 421 Q CA 2.219 57.968 55.803 -0.090 0.000 0.845 421 Q CB -0.510 28.228 28.738 0.001 0.000 0.907 421 Q HN 0.772 nan 8.270 nan 0.000 0.439 422 T N -3.157 111.445 114.554 0.081 0.000 2.857 422 T HA -0.021 4.344 4.350 0.026 0.000 0.266 422 T C 1.895 176.614 174.700 0.031 0.000 1.048 422 T CA 0.913 63.093 62.100 0.134 0.000 1.139 422 T CB -0.908 68.031 68.868 0.118 0.000 0.874 422 T HN 0.322 nan 8.240 nan 0.000 0.455 423 G N 2.059 110.838 108.800 -0.034 0.000 2.529 423 G HA2 -0.215 3.761 3.960 0.026 0.000 0.219 423 G HA3 -0.215 3.761 3.960 0.026 0.000 0.219 423 G C 1.441 176.300 174.900 -0.068 0.000 1.177 423 G CA 1.163 46.221 45.100 -0.071 0.000 0.773 423 G HN 0.460 nan 8.290 nan 0.000 0.573 424 L N 0.933 122.083 121.223 -0.122 0.000 2.042 424 L HA -0.030 4.325 4.340 0.026 0.000 0.210 424 L C 2.926 179.762 176.870 -0.058 0.000 1.076 424 L CA 2.479 57.214 54.840 -0.175 0.000 0.749 424 L CB -0.803 41.106 42.059 -0.250 0.000 0.893 424 L HN 0.248 nan 8.230 nan 0.000 0.432 425 S N -0.746 114.953 115.700 -0.001 0.000 2.368 425 S HA -0.143 4.343 4.470 0.026 0.000 0.225 425 S C 2.048 176.723 174.600 0.126 0.000 1.030 425 S CA 1.237 59.517 58.200 0.134 0.000 0.999 425 S CB -0.820 62.510 63.200 0.216 0.000 0.844 425 S HN 0.675 nan 8.310 nan 0.000 0.459 426 G N 1.167 110.007 108.800 0.068 0.000 2.440 426 G HA2 -0.256 3.719 3.960 0.026 0.000 0.218 426 G HA3 -0.256 3.719 3.960 0.026 0.000 0.218 426 G C 1.334 176.234 174.900 0.000 0.000 1.154 426 G CA 0.956 46.074 45.100 0.029 0.000 0.767 426 G HN 0.673 nan 8.290 nan 0.000 0.552 427 W N 0.882 122.048 121.300 -0.224 0.000 2.318 427 W HA -0.188 4.487 4.660 0.025 0.000 0.313 427 W C 2.132 178.428 176.519 -0.371 0.000 1.221 427 W CA 1.629 58.781 57.345 -0.322 0.000 1.266 427 W CB -0.734 28.464 29.460 -0.436 0.000 1.150 427 W HN 0.404 nan 8.180 nan 0.000 0.496 428 Y N 0.430 120.765 120.300 0.059 0.000 2.200 428 Y HA -0.260 4.305 4.550 0.025 0.000 0.290 428 Y C 2.656 178.152 175.900 -0.674 0.000 1.137 428 Y CA 1.336 59.266 58.100 -0.284 0.000 1.163 428 Y CB -1.182 37.202 38.460 -0.127 0.000 0.988 428 Y HN -0.080 nan 8.280 nan 0.000 0.518 429 L N -0.478 120.633 121.223 -0.186 0.000 2.042 429 L HA -0.217 4.139 4.340 0.026 0.000 0.210 429 L C 2.562 179.341 176.870 -0.152 0.000 1.076 429 L CA 1.981 56.765 54.840 -0.093 0.000 0.749 429 L CB -1.172 40.909 42.059 0.037 0.000 0.893 429 L HN 0.173 nan 8.230 nan 0.000 0.432 430 S N -0.897 114.682 115.700 -0.203 0.000 2.368 430 S HA -0.267 4.219 4.470 0.026 0.000 0.226 430 S C 2.085 176.563 174.600 -0.204 0.000 1.044 430 S CA 2.053 60.123 58.200 -0.216 0.000 1.062 430 S CB -0.243 62.801 63.200 -0.260 0.000 0.931 430 S HN 0.503 nan 8.310 nan 0.000 0.440 431 M N 0.015 119.405 119.600 -0.351 0.000 2.108 431 M HA -0.113 4.383 4.480 0.026 0.000 0.261 431 M C 2.019 178.291 176.300 -0.048 0.000 1.066 431 M CA 1.574 56.713 55.300 -0.268 0.000 1.107 431 M CB -1.779 30.634 32.600 -0.311 0.000 1.356 431 M HN 0.541 nan 8.290 nan 0.000 0.406 432 Y N 0.151 120.463 120.300 0.020 0.000 2.200 432 Y HA -0.167 4.397 4.550 0.023 0.000 0.290 432 Y C 2.506 178.431 175.900 0.041 0.000 1.137 432 Y CA 0.410 58.532 58.100 0.037 0.000 1.163 432 Y CB -0.460 38.031 38.460 0.052 0.000 0.988 432 Y HN 0.117 nan 8.280 nan 0.000 0.518 433 L N -0.631 120.694 121.223 0.170 0.000 2.046 433 L HA -0.280 4.075 4.340 0.026 0.000 0.208 433 L C 2.480 179.435 176.870 0.142 0.000 1.077 433 L CA 1.825 56.743 54.840 0.129 0.000 0.747 433 L CB -0.823 41.245 42.059 0.016 0.000 0.896 433 L HN 0.387 nan 8.230 nan 0.000 0.432 434 H N 0.472 119.522 119.070 -0.034 0.000 2.319 434 H HA -0.248 4.323 4.556 0.026 0.000 0.299 434 H C 2.482 177.779 175.328 -0.050 0.000 1.092 434 H CA 1.910 57.906 56.048 -0.086 0.000 1.302 434 H CB 0.204 29.895 29.762 -0.119 0.000 1.373 434 H HN 0.152 nan 8.280 nan 0.000 0.497 435 K N 0.105 120.590 120.400 0.141 0.000 2.044 435 K HA -0.196 4.140 4.320 0.026 0.000 0.210 435 K C 2.018 178.681 176.600 0.105 0.000 1.049 435 K CA 1.949 58.289 56.287 0.088 0.000 0.927 435 K CB 0.104 32.654 32.500 0.084 0.000 0.713 435 K HN 0.329 nan 8.250 nan 0.000 0.443 436 E N 0.524 120.789 120.200 0.107 0.000 2.107 436 E HA -0.197 4.168 4.350 0.026 0.000 0.191 436 E C 1.956 178.599 176.600 0.070 0.000 0.982 436 E CA 1.002 57.453 56.400 0.084 0.000 0.809 436 E CB -0.141 29.611 29.700 0.087 0.000 0.756 436 E HN 0.492 nan 8.360 nan 0.000 0.459 437 Q N 0.107 119.935 119.800 0.047 0.000 2.020 437 Q HA -0.151 4.205 4.340 0.026 0.000 0.202 437 Q C 1.272 177.302 176.000 0.050 0.000 0.982 437 Q CA 1.605 57.389 55.803 -0.032 0.000 0.838 437 Q CB -0.091 28.534 28.738 -0.189 0.000 0.899 437 Q HN 0.487 nan 8.270 nan 0.000 0.423 438 H N -1.318 117.798 119.070 0.077 0.000 2.586 438 H HA 0.226 4.798 4.556 0.027 0.000 0.273 438 H C 0.209 175.561 175.328 0.040 0.000 0.997 438 H CA 0.123 56.200 56.048 0.049 0.000 1.177 438 H CB 0.808 30.605 29.762 0.059 0.000 1.471 438 H HN 0.206 nan 8.280 nan 0.000 0.538 439 S N 0.654 116.445 115.700 0.152 0.000 3.641 439 S HA -0.211 4.275 4.470 0.026 0.000 0.346 439 S C 0.098 174.739 174.600 0.069 0.000 1.074 439 S CA 1.000 59.252 58.200 0.086 0.000 1.026 439 S CB -0.938 62.298 63.200 0.059 0.000 0.908 439 S HN 0.801 nan 8.310 nan 0.000 0.479 440 R N -1.742 118.812 120.500 0.090 0.000 2.728 440 R HA 0.793 5.148 4.340 0.026 0.000 0.274 440 R C -0.507 175.777 176.300 -0.026 0.000 1.030 440 R CA -0.894 55.223 56.100 0.029 0.000 0.876 440 R CB 0.310 30.626 30.300 0.027 0.000 1.259 440 R HN 0.241 nan 8.270 nan 0.000 0.468 441 L N -1.113 120.037 121.223 -0.122 0.000 3.909 441 L HA 0.661 5.016 4.340 0.026 0.000 0.209 441 L C 0.170 176.828 176.870 -0.354 0.000 1.206 441 L CA 0.964 55.612 54.840 -0.320 0.000 1.361 441 L CB 0.633 42.554 42.059 -0.231 0.000 1.798 441 L HN 0.891 nan 8.230 nan 0.000 0.767 442 G N -1.107 107.497 108.800 -0.326 0.000 3.122 442 G HA2 0.357 4.333 3.960 0.026 0.000 0.180 442 G HA3 0.357 4.333 3.960 0.026 0.000 0.180 442 G C -0.644 174.213 174.900 -0.070 0.000 1.279 442 G CA -0.056 44.817 45.100 -0.379 0.000 0.987 442 G HN 0.470 nan 8.290 nan 0.000 0.589 443 F N -0.692 119.272 119.950 0.023 0.000 2.472 443 F HA 0.515 5.058 4.527 0.026 0.000 0.312 443 F C 0.772 176.697 175.800 0.207 0.000 1.256 443 F CA -1.352 56.729 58.000 0.134 0.000 1.275 443 F CB 0.114 39.230 39.000 0.194 0.000 1.228 443 F HN 0.545 nan 8.300 nan 0.000 0.567 447 D N 2.622 123.001 120.400 -0.035 0.000 2.587 447 D HA 0.072 4.728 4.640 0.026 0.000 0.233 447 D C 1.594 177.906 176.300 0.018 0.000 1.213 447 D CA 0.168 54.202 54.000 0.056 0.000 0.827 447 D CB 0.104 41.013 40.800 0.181 0.000 1.006 447 D HN 0.620 nan 8.370 nan 0.000 0.490 448 L N 0.817 122.006 121.223 -0.057 0.000 1.989 448 L HA -0.286 4.069 4.340 0.026 0.000 0.211 448 L C 2.532 179.403 176.870 0.001 0.000 1.071 448 L CA 1.944 56.766 54.840 -0.030 0.000 0.749 448 L CB -0.286 41.746 42.059 -0.046 0.000 0.890 448 L HN 0.073 nan 8.230 nan 0.000 0.431 449 Q N -1.124 118.668 119.800 -0.014 0.000 2.230 449 Q HA -0.191 4.164 4.340 0.026 0.000 0.202 449 Q C 1.285 177.378 176.000 0.154 0.000 0.963 449 Q CA 1.691 57.555 55.803 0.102 0.000 0.866 449 Q CB -0.490 28.365 28.738 0.195 0.000 0.931 449 Q HN 0.598 nan 8.270 nan 0.000 0.452 450 D N 0.791 121.324 120.400 0.221 0.000 2.277 450 D HA -0.059 4.596 4.640 0.026 0.000 0.208 450 D C 0.677 177.132 176.300 0.258 0.000 0.962 450 D CA 0.612 54.822 54.000 0.350 0.000 0.865 450 D CB 0.156 41.223 40.800 0.444 0.000 0.939 450 D HN 0.165 nan 8.370 nan 0.000 0.510 454 A N 1.002 123.713 122.820 -0.182 0.000 1.883 454 A HA 0.036 4.372 4.320 0.026 0.000 0.217 454 A C 2.553 180.169 177.584 0.053 0.000 1.186 454 A CA 3.120 55.214 52.037 0.096 0.000 0.624 454 A CB -0.878 18.304 19.000 0.304 0.000 0.822 454 A HN 1.056 nan 8.150 nan 0.000 0.444 455 S N -0.262 115.450 115.700 0.021 0.000 2.383 455 S HA -0.133 4.352 4.470 0.026 0.000 0.227 455 S C 1.645 176.252 174.600 0.012 0.000 1.026 455 S CA 1.445 59.664 58.200 0.033 0.000 0.981 455 S CB -0.484 62.722 63.200 0.010 0.000 0.818 455 S HN 0.618 nan 8.310 nan 0.000 0.472 456 N N 0.871 119.544 118.700 -0.045 0.000 2.412 456 N HA 0.108 4.863 4.740 0.026 0.000 0.184 456 N C 1.438 176.899 175.510 -0.082 0.000 1.101 456 N CA 0.337 53.367 53.050 -0.033 0.000 0.881 456 N CB -0.103 38.382 38.487 -0.002 0.000 0.969 456 N HN 0.236 nan 8.380 nan 0.000 0.459 457 V N -0.094 119.722 119.914 -0.162 0.000 2.287 457 V HA -0.178 3.957 4.120 0.026 0.000 0.248 457 V C 1.130 176.905 176.094 -0.533 0.000 1.053 457 V CA 1.624 63.678 62.300 -0.410 0.000 1.027 457 V CB -0.429 30.985 31.823 -0.683 0.000 0.646 457 V HN 0.211 nan 8.190 nan 0.000 0.447 458 F N -0.982 118.979 119.950 0.018 0.000 2.682 458 F HA 0.351 4.893 4.527 0.025 0.000 0.308 458 F C 1.372 177.174 175.800 0.003 0.000 1.093 458 F CA -0.040 57.964 58.000 0.008 0.000 1.244 458 F CB 0.184 39.192 39.000 0.014 0.000 1.052 458 F HN -0.051 nan 8.300 nan 0.000 0.573 459 S N 1.392 117.159 115.700 0.112 0.000 2.566 459 S HA 0.064 4.550 4.470 0.026 0.000 0.280 459 S C 0.898 175.531 174.600 0.055 0.000 1.343 459 S CA -0.166 58.077 58.200 0.070 0.000 1.036 459 S CB 0.399 63.619 63.200 0.034 0.000 0.866 459 S HN 0.334 nan 8.310 nan 0.000 0.526 460 I N 1.236 121.831 120.570 0.042 0.000 4.025 460 I HA 0.443 4.628 4.170 0.026 0.000 0.336 460 I C 0.672 176.796 176.117 0.011 0.000 1.390 460 I CA -0.266 61.051 61.300 0.027 0.000 1.099 460 I CB -0.221 37.797 38.000 0.030 0.000 1.049 460 I HN 0.327 nan 8.210 nan 0.000 0.394 461 R N 1.175 121.677 120.500 0.003 0.000 2.649 461 R HA 0.414 4.770 4.340 0.026 0.000 0.270 461 R C 1.554 177.840 176.300 -0.023 0.000 1.105 461 R CA 0.276 56.369 56.100 -0.011 0.000 1.193 461 R CB 0.325 30.614 30.300 -0.018 0.000 1.120 461 R HN 0.278 nan 8.270 nan 0.000 0.561 462 G N 1.319 110.101 108.800 -0.031 0.000 2.631 462 G HA2 -0.336 3.639 3.960 0.026 0.000 0.219 462 G HA3 -0.336 3.639 3.960 0.026 0.000 0.219 462 G C 0.694 175.558 174.900 -0.060 0.000 1.214 462 G CA 1.572 46.648 45.100 -0.039 0.000 0.785 462 G HN 0.793 nan 8.290 nan 0.000 0.596 463 D N -0.520 119.825 120.400 -0.092 0.000 2.388 463 D HA 0.174 4.830 4.640 0.026 0.000 0.221 463 D C 1.420 177.592 176.300 -0.213 0.000 1.133 463 D CA 0.122 54.028 54.000 -0.157 0.000 0.831 463 D CB 0.182 40.873 40.800 -0.183 0.000 0.962 463 D HN 0.511 nan 8.370 nan 0.000 0.502 464 E N -0.177 119.961 120.200 -0.103 0.000 2.306 464 E HA 0.209 4.575 4.350 0.026 0.000 0.201 464 E C 1.047 177.700 176.600 0.088 0.000 0.874 464 E CA 0.106 56.480 56.400 -0.044 0.000 0.972 464 E CB 0.436 30.115 29.700 -0.035 0.000 0.957 464 E HN 0.227 nan 8.360 nan 0.000 0.492 465 G N 1.831 110.655 108.800 0.039 0.000 2.325 465 G HA2 0.551 4.527 3.960 0.026 0.000 0.298 465 G HA3 0.551 4.527 3.960 0.026 0.000 0.298 465 G C -0.899 174.008 174.900 0.012 0.000 1.134 465 G CA -0.180 44.935 45.100 0.026 0.000 0.876 465 G HN 0.071 nan 8.290 nan 0.000 0.452 466 L N 3.407 124.606 121.223 -0.041 0.000 2.735 466 L HA 0.344 4.700 4.340 0.026 0.000 0.258 466 L C -2.660 174.115 176.870 -0.158 0.000 0.920 466 L CA -1.552 53.231 54.840 -0.095 0.000 0.958 466 L CB 2.716 44.715 42.059 -0.100 0.000 1.499 466 L HN 0.367 nan 8.230 nan 0.000 0.441 467 P HA 0.001 nan 4.420 nan 0.000 0.266 467 P C 0.415 177.583 177.300 -0.219 0.000 1.193 467 P CA -0.195 62.817 63.100 -0.147 0.000 0.770 467 P CB 0.620 32.255 31.700 -0.107 0.000 0.836 468 L N 3.442 124.543 121.223 -0.204 0.000 2.083 468 L HA -0.190 4.166 4.340 0.026 0.000 0.209 468 L C 1.799 178.575 176.870 -0.157 0.000 1.083 468 L CA 2.013 56.729 54.840 -0.207 0.000 0.752 468 L CB -1.128 40.812 42.059 -0.198 0.000 0.899 468 L HN 0.276 nan 8.230 nan 0.000 0.433 469 E N -0.528 119.553 120.200 -0.198 0.000 2.130 469 E HA -0.231 4.135 4.350 0.026 0.000 0.196 469 E C 1.980 178.159 176.600 -0.702 0.000 0.998 469 E CA 1.554 57.763 56.400 -0.319 0.000 0.806 469 E CB -0.377 29.139 29.700 -0.306 0.000 0.738 469 E HN 0.368 nan 8.360 nan 0.000 0.459 470 L N 0.460 121.239 121.223 -0.739 0.000 2.313 470 L HA -0.004 4.351 4.340 0.026 0.000 0.214 470 L C 0.958 177.573 176.870 -0.426 0.000 1.119 470 L CA 0.955 55.398 54.840 -0.660 0.000 0.809 470 L CB -0.297 41.518 42.059 -0.406 0.000 0.933 470 L HN -0.042 nan 8.230 nan 0.000 0.449 471 R N -0.780 119.492 120.500 -0.380 0.000 2.726 471 R HA 0.481 4.836 4.340 0.026 0.000 0.272 471 R C 0.355 176.154 176.300 -0.836 0.000 1.097 471 R CA 0.527 56.370 56.100 -0.428 0.000 1.198 471 R CB 0.178 30.258 30.300 -0.365 0.000 1.114 471 R HN 0.222 nan 8.270 nan 0.000 0.550 472 G N -0.388 107.828 108.800 -0.973 0.000 2.570 472 G HA2 0.209 4.185 3.960 0.026 0.000 0.310 472 G HA3 0.209 4.185 3.960 0.026 0.000 0.310 472 G C -2.517 171.946 174.900 -0.728 0.000 1.266 472 G CA -0.732 43.367 45.100 -1.668 0.000 0.825 472 G HN 0.270 nan 8.290 nan 0.000 0.483 473 P HA 0.005 nan 4.420 nan 0.000 0.225 473 P C 0.954 178.256 177.300 0.003 0.000 1.148 473 P CA 1.035 64.052 63.100 -0.138 0.000 0.779 473 P CB 0.238 31.777 31.700 -0.269 0.000 0.780 474 N N -2.030 116.605 118.700 -0.107 0.000 2.236 474 N HA -0.036 4.720 4.740 0.026 0.000 0.196 474 N C -0.121 175.335 175.510 -0.090 0.000 1.114 474 N CA -0.441 52.567 53.050 -0.070 0.000 0.859 474 N CB -0.503 37.911 38.487 -0.121 0.000 0.982 474 N HN -0.026 nan 8.380 nan 0.000 0.493 475 Y N 1.200 121.365 120.300 -0.225 0.000 2.620 475 Y HA 0.116 4.682 4.550 0.026 0.000 0.330 475 Y C -1.615 174.117 175.900 -0.279 0.000 1.186 475 Y CA -1.460 56.442 58.100 -0.331 0.000 1.467 475 Y CB 0.875 39.012 38.460 -0.538 0.000 1.262 475 Y HN 0.138 nan 8.280 nan 0.000 0.550 476 P HA -0.186 nan 4.420 nan 0.000 0.215 476 P C 0.530 177.647 177.300 -0.304 0.000 1.157 476 P CA 2.373 65.211 63.100 -0.436 0.000 0.868 476 P CB 0.177 31.596 31.700 -0.468 0.000 0.788 477 N N -2.030 116.416 118.700 -0.424 0.000 2.381 477 N HA -0.126 4.629 4.740 0.026 0.000 0.182 477 N C 1.152 176.788 175.510 0.209 0.000 1.025 477 N CA 0.558 53.557 53.050 -0.083 0.000 0.888 477 N CB -0.299 38.194 38.487 0.010 0.000 0.965 477 N HN 0.349 nan 8.380 nan 0.000 0.438 478 Y N -0.458 119.907 120.300 0.108 0.000 2.457 478 Y HA 0.312 4.877 4.550 0.025 0.000 0.263 478 Y C 1.910 177.854 175.900 0.074 0.000 1.164 478 Y CA -0.826 57.353 58.100 0.132 0.000 1.274 478 Y CB 0.409 39.048 38.460 0.298 0.000 1.097 478 Y HN 0.093 nan 8.280 nan 0.000 0.523 479 A N -0.072 122.848 122.820 0.166 0.000 2.167 479 A HA -0.017 4.318 4.320 0.026 0.000 0.214 479 A C 1.749 179.402 177.584 0.114 0.000 1.151 479 A CA 0.967 53.084 52.037 0.135 0.000 0.735 479 A CB -0.232 18.803 19.000 0.059 0.000 0.802 479 A HN 0.473 nan 8.150 nan 0.000 0.467 480 M N -1.669 117.978 119.600 0.080 0.000 2.669 480 M HA 0.189 4.685 4.480 0.026 0.000 0.248 480 M C -0.379 175.951 176.300 0.051 0.000 1.382 480 M CA 0.283 55.612 55.300 0.048 0.000 1.158 480 M CB 0.476 33.101 32.600 0.041 0.000 1.371 480 M HN 0.239 nan 8.290 nan 0.000 0.540 481 N N 0.270 118.993 118.700 0.038 0.000 2.361 481 N HA 0.452 5.208 4.740 0.026 0.000 0.302 481 N C -0.602 174.923 175.510 0.026 0.000 1.074 481 N CA -0.780 52.301 53.050 0.052 0.000 0.850 481 N CB 2.185 40.720 38.487 0.079 0.000 1.228 481 N HN -0.088 nan 8.380 nan 0.000 0.491 482 V N -0.166 119.671 119.914 -0.128 0.000 3.332 482 V HA 0.339 4.474 4.120 0.026 0.000 0.305 482 V C 1.409 177.503 176.094 0.000 0.000 1.114 482 V CA -0.008 62.139 62.300 -0.255 0.000 1.194 482 V CB -0.195 31.062 31.823 -0.944 0.000 1.027 482 V HN 0.982 nan 8.190 nan 0.000 0.492 483 G N 1.137 109.912 108.800 -0.040 0.000 2.176 483 G HA2 -0.249 3.726 3.960 0.026 0.000 0.252 483 G HA3 -0.249 3.726 3.960 0.026 0.000 0.252 483 G C 0.031 174.832 174.900 -0.165 0.000 1.024 483 G CA 1.085 46.195 45.100 0.016 0.000 0.755 483 G HN 1.326 nan 8.290 nan 0.000 0.507 484 H N -2.134 116.799 119.070 -0.228 0.000 2.627 484 H HA 0.209 4.780 4.556 0.025 0.000 0.211 484 H C 2.395 177.085 175.328 -1.064 0.000 0.873 484 H CA 0.679 56.303 56.048 -0.706 0.000 0.969 484 H CB -0.238 29.051 29.762 -0.788 0.000 1.328 484 H HN 0.325 nan 8.280 nan 0.000 0.423 485 Q N 0.586 120.136 119.800 -0.416 0.000 2.050 485 Q HA -0.070 4.286 4.340 0.026 0.000 0.202 485 Q C 2.289 178.098 176.000 -0.318 0.000 0.980 485 Q CA 1.496 57.058 55.803 -0.402 0.000 0.840 485 Q CB -0.153 28.475 28.738 -0.183 0.000 0.898 485 Q HN 0.512 nan 8.270 nan 0.000 0.424 486 G N 0.685 109.499 108.800 0.023 0.000 2.408 486 G HA2 -0.249 3.726 3.960 0.026 0.000 0.217 486 G HA3 -0.249 3.726 3.960 0.026 0.000 0.217 486 G C 1.020 175.852 174.900 -0.114 0.000 1.150 486 G CA 0.733 45.895 45.100 0.102 0.000 0.776 486 G HN 0.248 nan 8.290 nan 0.000 0.542 487 E N -0.059 119.976 120.200 -0.276 0.000 2.150 487 E HA -0.041 4.324 4.350 0.026 0.000 0.193 487 E C 1.984 178.277 176.600 -0.511 0.000 0.985 487 E CA 0.702 56.910 56.400 -0.320 0.000 0.814 487 E CB -0.371 29.167 29.700 -0.270 0.000 0.752 487 E HN 0.723 nan 8.360 nan 0.000 0.466 488 Y N 0.199 119.991 120.300 -0.847 0.000 2.224 488 Y HA -0.196 4.369 4.550 0.025 0.000 0.289 488 Y C 2.411 177.860 175.900 -0.753 0.000 1.146 488 Y CA 0.287 57.755 58.100 -1.054 0.000 1.182 488 Y CB -0.151 37.326 38.460 -1.638 0.000 0.983 488 Y HN 0.097 nan 8.280 nan 0.000 0.524 489 A N 0.529 123.082 122.820 -0.444 0.000 1.908 489 A HA -0.162 4.174 4.320 0.026 0.000 0.218 489 A C 2.482 180.051 177.584 -0.025 0.000 1.181 489 A CA 1.792 53.794 52.037 -0.059 0.000 0.627 489 A CB -1.508 17.589 19.000 0.161 0.000 0.818 489 A HN 0.490 nan 8.150 nan 0.000 0.445 490 G N 0.074 108.839 108.800 -0.059 0.000 2.440 490 G HA2 -0.220 3.756 3.960 0.026 0.000 0.218 490 G HA3 -0.220 3.756 3.960 0.026 0.000 0.218 490 G C 1.503 176.375 174.900 -0.047 0.000 1.154 490 G CA 1.192 46.278 45.100 -0.024 0.000 0.767 490 G HN 0.501 nan 8.290 nan 0.000 0.552 491 I N 1.759 122.259 120.570 -0.116 0.000 2.394 491 I HA -0.183 4.002 4.170 0.026 0.000 0.251 491 I C 3.155 179.226 176.117 -0.077 0.000 1.136 491 I CA 1.342 62.564 61.300 -0.129 0.000 1.425 491 I CB -0.182 37.712 38.000 -0.177 0.000 1.079 491 I HN 0.351 nan 8.210 nan 0.000 0.425 492 S N 0.589 116.261 115.700 -0.046 0.000 2.368 492 S HA -0.296 4.189 4.470 0.026 0.000 0.225 492 S C 2.013 176.710 174.600 0.161 0.000 1.030 492 S CA 1.448 59.679 58.200 0.051 0.000 0.999 492 S CB -0.434 62.812 63.200 0.077 0.000 0.844 492 S HN 0.416 nan 8.310 nan 0.000 0.459 493 Q N 1.959 121.838 119.800 0.132 0.000 2.119 493 Q HA 0.204 4.560 4.340 0.026 0.000 0.201 493 Q C 2.153 178.266 176.000 0.189 0.000 0.972 493 Q CA 1.652 57.562 55.803 0.179 0.000 0.847 493 Q CB -1.028 27.793 28.738 0.139 0.000 0.903 493 Q HN 0.638 nan 8.270 nan 0.000 0.433 494 A N 1.537 124.428 122.820 0.118 0.000 1.873 494 A HA -0.158 4.177 4.320 0.026 0.000 0.218 494 A C -0.364 177.350 177.584 0.216 0.000 1.193 494 A CA 1.833 53.973 52.037 0.170 0.000 0.629 494 A CB -1.892 17.001 19.000 -0.179 0.000 0.826 494 A HN 0.549 nan 8.150 nan 0.000 0.447 495 P HA -0.143 nan 4.420 nan 0.000 0.217 495 P C 0.952 178.177 177.300 -0.124 0.000 1.151 495 P CA 1.380 64.436 63.100 -0.073 0.000 0.828 495 P CB -0.389 31.158 31.700 -0.255 0.000 0.788 496 H N -0.026 119.074 119.070 0.051 0.000 2.395 496 H HA 0.098 4.670 4.556 0.027 0.000 0.299 496 H C 2.050 177.400 175.328 0.037 0.000 1.070 496 H CA 1.492 57.546 56.048 0.010 0.000 1.356 496 H CB -0.631 29.122 29.762 -0.015 0.000 1.401 496 H HN 0.113 nan 8.280 nan 0.000 0.524 497 A N 1.261 124.191 122.820 0.182 0.000 1.898 497 A HA -0.009 4.326 4.320 0.026 0.000 0.216 497 A C 2.699 180.322 177.584 0.065 0.000 1.181 497 A CA 1.446 53.564 52.037 0.135 0.000 0.620 497 A CB -0.719 18.375 19.000 0.157 0.000 0.819 497 A HN 0.401 nan 8.150 nan 0.000 0.442 498 A N -0.035 122.826 122.820 0.067 0.000 1.902 498 A HA -0.172 4.163 4.320 0.026 0.000 0.217 498 A C 2.208 179.795 177.584 0.006 0.000 1.181 498 A CA 1.606 53.639 52.037 -0.007 0.000 0.623 498 A CB -0.449 18.597 19.000 0.077 0.000 0.818 498 A HN 0.534 nan 8.150 nan 0.000 0.443 499 R N -1.614 118.896 120.500 0.017 0.000 2.189 499 R HA 0.102 4.458 4.340 0.026 0.000 0.223 499 R C 1.374 177.686 176.300 0.020 0.000 1.092 499 R CA 0.644 56.748 56.100 0.006 0.000 0.989 499 R CB -0.245 30.047 30.300 -0.013 0.000 0.876 499 R HN 0.767 nan 8.270 nan 0.000 0.457 500 G N 1.450 110.275 108.800 0.041 0.000 2.136 500 G HA2 -0.221 3.755 3.960 0.026 0.000 0.242 500 G HA3 -0.221 3.755 3.960 0.026 0.000 0.242 500 G C -0.651 174.269 174.900 0.034 0.000 0.989 500 G CA 0.044 45.175 45.100 0.053 0.000 0.682 500 G HN 0.259 nan 8.290 nan 0.000 0.522 501 D N -0.095 120.322 120.400 0.028 0.000 2.414 501 D HA 0.467 5.122 4.640 0.026 0.000 0.242 501 D C 1.473 177.754 176.300 -0.032 0.000 1.129 501 D CA 0.534 54.510 54.000 -0.041 0.000 0.885 501 D CB 1.151 41.914 40.800 -0.060 0.000 1.198 501 D HN 0.373 nan 8.370 nan 0.000 0.437 502 A N 2.295 125.081 122.820 -0.057 0.000 2.119 502 A HA 0.076 4.411 4.320 0.026 0.000 0.217 502 A C 0.452 178.112 177.584 0.126 0.000 1.153 502 A CA 0.863 52.927 52.037 0.046 0.000 0.692 502 A CB -0.460 18.563 19.000 0.040 0.000 0.799 502 A HN 0.543 nan 8.150 nan 0.000 0.458 503 F N -6.188 113.730 119.950 -0.052 0.000 2.686 503 F HA 0.607 5.150 4.527 0.027 0.000 0.311 503 F C 0.175 175.871 175.800 -0.174 0.000 1.128 503 F CA -0.990 56.961 58.000 -0.082 0.000 0.946 503 F CB 0.829 39.754 39.000 -0.126 0.000 1.336 503 F HN -0.276 nan 8.300 nan 0.000 0.457 504 V N 0.201 120.079 119.914 -0.061 0.000 2.672 504 V HA 0.037 4.172 4.120 0.026 0.000 0.242 504 V C 0.583 176.662 176.094 -0.026 0.000 1.059 504 V CA 1.605 63.663 62.300 -0.405 0.000 1.081 504 V CB 0.193 31.971 31.823 -0.076 0.000 0.752 504 V HN 0.871 nan 8.190 nan 0.000 0.472 505 F N -0.695 119.364 119.950 0.182 0.000 2.839 505 F HA 0.469 5.012 4.527 0.026 0.000 0.355 505 F C 0.123 176.049 175.800 0.209 0.000 0.904 505 F CA -0.154 57.971 58.000 0.209 0.000 1.098 505 F CB 0.766 39.875 39.000 0.181 0.000 0.982 505 F HN 0.102 nan 8.300 nan 0.000 0.600 506 N N 1.749 120.438 118.700 -0.019 0.000 2.599 506 N HA 0.261 5.017 4.740 0.026 0.000 0.283 506 N C -2.537 172.603 175.510 -0.618 0.000 1.160 506 N CA -1.334 51.430 53.050 -0.477 0.000 0.869 506 N CB 2.204 40.292 38.487 -0.666 0.000 1.448 506 N HN -0.111 nan 8.380 nan 0.000 0.535 507 P HA -0.056 nan 4.420 nan 0.000 0.219 507 P C 1.595 178.508 177.300 -0.644 0.000 1.150 507 P CA 0.644 63.138 63.100 -1.009 0.000 0.814 507 P CB 0.777 31.714 31.700 -1.272 0.000 0.787 508 L N -0.684 120.179 121.223 -0.599 0.000 2.017 508 L HA -0.124 4.231 4.340 0.026 0.000 0.208 508 L C 2.719 179.356 176.870 -0.389 0.000 1.073 508 L CA 1.313 55.870 54.840 -0.471 0.000 0.745 508 L CB -1.412 40.315 42.059 -0.554 0.000 0.894 508 L HN -0.162 nan 8.230 nan 0.000 0.432 509 V N 0.230 119.896 119.914 -0.413 0.000 2.343 509 V HA -0.278 3.857 4.120 0.026 0.000 0.247 509 V C 2.620 178.645 176.094 -0.115 0.000 1.051 509 V CA 1.971 64.106 62.300 -0.275 0.000 1.036 509 V CB -0.547 30.960 31.823 -0.526 0.000 0.654 509 V HN 0.393 nan 8.190 nan 0.000 0.451 510 K N 0.933 121.231 120.400 -0.171 0.000 2.009 510 K HA -0.149 4.186 4.320 0.026 0.000 0.210 510 K C 1.775 178.398 176.600 0.039 0.000 1.049 510 K CA 1.941 58.210 56.287 -0.029 0.000 0.929 510 K CB -0.655 31.823 32.500 -0.036 0.000 0.714 510 K HN 0.458 nan 8.250 nan 0.000 0.440 511 I N 0.537 120.966 120.570 -0.235 0.000 2.315 511 I HA -0.180 4.005 4.170 0.026 0.000 0.248 511 I C 2.207 178.168 176.117 -0.261 0.000 1.117 511 I CA 1.078 62.199 61.300 -0.299 0.000 1.404 511 I CB -0.386 37.031 38.000 -0.971 0.000 1.071 511 I HN 0.243 nan 8.210 nan 0.000 0.419 512 A N 0.228 122.889 122.820 -0.263 0.000 2.076 512 A HA -0.151 4.185 4.320 0.026 0.000 0.220 512 A C 1.745 179.148 177.584 -0.302 0.000 1.160 512 A CA 1.561 53.492 52.037 -0.176 0.000 0.653 512 A CB -0.704 18.214 19.000 -0.136 0.000 0.801 512 A HN 0.444 nan 8.150 nan 0.000 0.455 513 F N -1.253 118.637 119.950 -0.100 0.000 2.653 513 F HA 0.394 4.937 4.527 0.026 0.000 0.304 513 F C 1.569 177.356 175.800 -0.023 0.000 1.092 513 F CA 0.127 58.054 58.000 -0.121 0.000 1.279 513 F CB 0.397 39.195 39.000 -0.337 0.000 1.044 513 F HN 0.151 nan 8.300 nan 0.000 0.564 514 A N 0.408 123.284 122.820 0.094 0.000 3.117 514 A HA 0.229 4.564 4.320 0.026 0.000 0.255 514 A C -0.434 177.165 177.584 0.024 0.000 1.583 514 A CA 0.154 52.203 52.037 0.019 0.000 1.234 514 A CB -0.842 18.114 19.000 -0.073 0.000 1.076 514 A HN 0.134 nan 8.150 nan 0.000 0.653 515 D N -0.311 120.132 120.400 0.072 0.000 2.620 515 D HA 0.235 4.890 4.640 0.026 0.000 0.252 515 D C -0.260 176.103 176.300 0.105 0.000 1.207 515 D CA -0.427 53.623 54.000 0.083 0.000 0.884 515 D CB 1.206 42.066 40.800 0.099 0.000 1.262 515 D HN 0.119 nan 8.370 nan 0.000 0.552 516 D N 2.519 122.952 120.400 0.055 0.000 2.371 516 D HA -0.053 4.602 4.640 0.026 0.000 0.221 516 D C 0.676 176.996 176.300 0.034 0.000 0.986 516 D CA 0.457 54.482 54.000 0.042 0.000 0.899 516 D CB 0.130 40.930 40.800 -0.000 0.000 0.902 516 D HN 0.443 nan 8.370 nan 0.000 0.530 517 N N -0.344 118.371 118.700 0.025 0.000 2.398 517 N HA 0.087 4.843 4.740 0.026 0.000 0.188 517 N C 0.412 176.044 175.510 0.204 0.000 1.122 517 N CA -0.068 52.979 53.050 -0.006 0.000 0.866 517 N CB 0.463 38.725 38.487 -0.375 0.000 0.970 517 N HN 0.106 nan 8.380 nan 0.000 0.462 518 L N 0.075 121.454 121.223 0.260 0.000 2.482 518 L HA -0.017 4.339 4.340 0.026 0.000 0.273 518 L C 1.438 178.471 176.870 0.272 0.000 1.228 518 L CA -0.259 54.776 54.840 0.325 0.000 0.827 518 L CB 0.772 43.086 42.059 0.426 0.000 1.099 518 L HN -0.019 nan 8.230 nan 0.000 0.494 519 V N 1.261 121.354 119.914 0.298 0.000 2.379 519 V HA -0.134 4.002 4.120 0.026 0.000 0.243 519 V C 0.619 176.892 176.094 0.297 0.000 1.035 519 V CA 0.682 63.119 62.300 0.228 0.000 1.035 519 V CB -0.309 31.661 31.823 0.245 0.000 0.673 519 V HN 0.479 nan 8.190 nan 0.000 0.457 520 F N 1.904 122.022 119.950 0.280 0.000 2.443 520 F HA 0.281 4.823 4.527 0.025 0.000 0.353 520 F C 0.368 176.168 175.800 -0.000 0.000 1.101 520 F CA -0.624 57.463 58.000 0.145 0.000 1.226 520 F CB 0.545 39.434 39.000 -0.186 0.000 1.140 520 F HN 0.045 nan 8.300 nan 0.000 0.557 521 D N 5.831 125.939 120.400 -0.486 0.000 2.393 521 D HA 0.057 4.712 4.640 0.026 0.000 0.232 521 D C 0.443 176.630 176.300 -0.187 0.000 1.192 521 D CA 0.082 53.944 54.000 -0.230 0.000 0.882 521 D CB -0.059 40.609 40.800 -0.220 0.000 1.038 521 D HN 0.470 nan 8.370 nan 0.000 0.499 522 F N 0.987 121.076 119.950 0.232 0.000 2.661 522 F HA -0.073 4.470 4.527 0.025 0.000 0.298 522 F C 2.619 178.487 175.800 0.114 0.000 1.137 522 F CA 0.827 58.996 58.000 0.282 0.000 1.454 522 F CB 0.005 39.173 39.000 0.280 0.000 1.103 522 F HN 0.386 nan 8.300 nan 0.000 0.577 523 T N -2.893 111.766 114.554 0.174 0.000 2.995 523 T HA -0.112 4.254 4.350 0.026 0.000 0.269 523 T C 0.976 175.682 174.700 0.010 0.000 1.091 523 T CA 1.010 63.157 62.100 0.078 0.000 1.128 523 T CB -0.214 68.674 68.868 0.033 0.000 0.891 523 T HN 0.105 nan 8.240 nan 0.000 0.492 524 N N 0.463 119.130 118.700 -0.053 0.000 2.711 524 N HA 0.277 5.032 4.740 0.026 0.000 0.263 524 N C 0.667 176.043 175.510 -0.222 0.000 1.667 524 N CA -0.253 52.729 53.050 -0.113 0.000 0.785 524 N CB 0.708 39.130 38.487 -0.108 0.000 1.231 524 N HN 0.036 nan 8.380 nan 0.000 0.503 525 V N 1.627 121.416 119.914 -0.209 0.000 2.282 525 V HA -0.260 3.876 4.120 0.026 0.000 0.249 525 V C 2.276 177.920 176.094 -0.749 0.000 1.057 525 V CA 1.907 63.971 62.300 -0.394 0.000 1.032 525 V CB -0.233 31.376 31.823 -0.356 0.000 0.645 525 V HN 0.526 nan 8.190 nan 0.000 0.447 526 R N -0.150 120.056 120.500 -0.489 0.000 2.090 526 R HA -0.048 4.307 4.340 0.026 0.000 0.228 526 R C 2.519 178.711 176.300 -0.181 0.000 1.110 526 R CA 1.224 57.111 56.100 -0.355 0.000 0.973 526 R CB -0.862 29.365 30.300 -0.122 0.000 0.869 526 R HN 0.597 nan 8.270 nan 0.000 0.440 527 G N 1.627 110.334 108.800 -0.156 0.000 2.469 527 G HA2 -0.283 3.692 3.960 0.026 0.000 0.219 527 G HA3 -0.283 3.692 3.960 0.026 0.000 0.219 527 G C 1.204 176.041 174.900 -0.105 0.000 1.150 527 G CA 0.736 45.776 45.100 -0.101 0.000 0.763 527 G HN 0.246 nan 8.290 nan 0.000 0.561 528 E N 0.347 120.407 120.200 -0.232 0.000 2.106 528 E HA -0.067 4.299 4.350 0.026 0.000 0.192 528 E C 2.320 178.950 176.600 0.051 0.000 0.984 528 E CA 0.524 56.792 56.400 -0.220 0.000 0.806 528 E CB -0.383 28.840 29.700 -0.795 0.000 0.750 528 E HN 0.436 nan 8.360 nan 0.000 0.458 529 F N 1.265 121.181 119.950 -0.057 0.000 2.126 529 F HA -0.110 4.432 4.527 0.025 0.000 0.299 529 F C 2.507 178.312 175.800 0.010 0.000 1.096 529 F CA 0.636 58.615 58.000 -0.035 0.000 1.255 529 F CB -1.463 37.471 39.000 -0.109 0.000 0.997 529 F HN -0.018 nan 8.300 nan 0.000 0.479 530 A N -0.023 122.917 122.820 0.200 0.000 1.877 530 A HA -0.240 4.095 4.320 0.026 0.000 0.216 530 A C 2.352 180.008 177.584 0.120 0.000 1.186 530 A CA 1.890 54.010 52.037 0.138 0.000 0.620 530 A CB -0.827 18.224 19.000 0.085 0.000 0.822 530 A HN 0.347 nan 8.150 nan 0.000 0.443 531 K N -0.578 119.889 120.400 0.110 0.000 2.103 531 K HA -0.128 4.208 4.320 0.026 0.000 0.207 531 K C 1.937 178.642 176.600 0.175 0.000 1.048 531 K CA 1.557 57.925 56.287 0.135 0.000 0.930 531 K CB -0.526 32.058 32.500 0.139 0.000 0.716 531 K HN 0.386 nan 8.250 nan 0.000 0.444 532 G N 0.103 109.002 108.800 0.165 0.000 2.421 532 G HA2 -0.180 3.796 3.960 0.026 0.000 0.217 532 G HA3 -0.180 3.796 3.960 0.026 0.000 0.217 532 G C 1.540 176.514 174.900 0.123 0.000 1.143 532 G CA 0.694 45.877 45.100 0.139 0.000 0.784 532 G HN 0.426 nan 8.290 nan 0.000 0.541 533 A N 0.703 123.598 122.820 0.124 0.000 1.933 533 A HA 0.141 4.477 4.320 0.026 0.000 0.218 533 A C 2.202 179.851 177.584 0.110 0.000 1.175 533 A CA 0.883 52.992 52.037 0.119 0.000 0.628 533 A CB -0.328 18.753 19.000 0.134 0.000 0.814 533 A HN 0.342 nan 8.150 nan 0.000 0.444 534 L N -1.585 119.703 121.223 0.108 0.000 2.610 534 L HA 0.075 4.431 4.340 0.026 0.000 0.232 534 L C 0.549 177.474 176.870 0.092 0.000 1.149 534 L CA 0.146 55.042 54.840 0.094 0.000 0.872 534 L CB -0.244 41.867 42.059 0.087 0.000 0.992 534 L HN 0.404 nan 8.230 nan 0.000 0.447 535 R N -0.229 120.335 120.500 0.107 0.000 3.656 535 R HA -0.194 4.161 4.340 0.026 0.000 0.297 535 R C 0.419 176.782 176.300 0.106 0.000 1.166 535 R CA 0.720 56.883 56.100 0.105 0.000 0.799 535 R CB -1.947 28.401 30.300 0.081 0.000 1.285 535 R HN 0.488 nan 8.270 nan 0.000 0.477 536 E N -0.418 119.858 120.200 0.127 0.000 2.526 536 E HA 0.105 4.470 4.350 0.026 0.000 0.208 536 E C -0.160 176.516 176.600 0.126 0.000 0.997 536 E CA -0.198 56.264 56.400 0.103 0.000 0.961 536 E CB 0.380 30.129 29.700 0.081 0.000 1.030 536 E HN 0.204 nan 8.360 nan 0.000 0.483 537 F N 2.301 122.271 119.950 0.034 0.000 2.394 537 F HA 0.215 4.758 4.527 0.026 0.000 0.340 537 F C -0.097 175.727 175.800 0.040 0.000 1.105 537 F CA -0.471 57.548 58.000 0.032 0.000 1.124 537 F CB 0.840 39.874 39.000 0.056 0.000 1.145 537 F HN -0.259 nan 8.300 nan 0.000 0.505 538 E N 7.712 127.664 120.200 -0.413 0.000 2.114 538 E HA 0.274 4.640 4.350 0.026 0.000 0.266 538 E C -2.350 174.154 176.600 -0.160 0.000 0.896 538 E CA -2.004 54.293 56.400 -0.171 0.000 0.750 538 E CB 1.093 30.688 29.700 -0.176 0.000 1.121 538 E HN 0.377 nan 8.360 nan 0.000 0.413 539 P HA 0.227 nan 4.420 nan 0.000 0.278 539 P C -0.737 176.636 177.300 0.122 0.000 1.258 539 P CA -0.466 62.796 63.100 0.270 0.000 0.811 539 P CB 1.042 32.926 31.700 0.307 0.000 1.063 540 A N -0.057 122.844 122.820 0.134 0.000 2.259 540 A HA 0.577 4.912 4.320 0.026 0.000 0.278 540 A C 1.222 178.845 177.584 0.065 0.000 1.107 540 A CA 0.245 52.329 52.037 0.078 0.000 0.828 540 A CB -0.849 18.197 19.000 0.077 0.000 1.111 540 A HN 0.870 nan 8.150 nan 0.000 0.498 541 G N -1.069 107.750 108.800 0.031 0.000 2.175 541 G HA2 -0.158 3.817 3.960 0.026 0.000 0.244 541 G HA3 -0.158 3.817 3.960 0.026 0.000 0.244 541 G C 0.066 174.975 174.900 0.015 0.000 0.982 541 G CA 0.298 45.408 45.100 0.017 0.000 0.641 541 G HN 0.740 nan 8.290 nan 0.000 0.527 542 E N -0.209 120.002 120.200 0.018 0.000 2.390 542 E HA 0.479 4.844 4.350 0.026 0.000 0.261 542 E C 1.010 177.606 176.600 -0.007 0.000 1.076 542 E CA -0.293 56.114 56.400 0.012 0.000 0.905 542 E CB 0.605 30.315 29.700 0.017 0.000 0.984 542 E HN 0.240 nan 8.360 nan 0.000 0.427 543 R N 0.786 121.282 120.500 -0.007 0.000 2.466 543 R HA 0.181 4.537 4.340 0.026 0.000 0.279 543 R C 1.401 177.686 176.300 -0.024 0.000 0.976 543 R CA 0.388 56.478 56.100 -0.017 0.000 1.081 543 R CB -0.072 30.225 30.300 -0.006 0.000 1.215 543 R HN 0.532 nan 8.270 nan 0.000 0.546 544 A N 0.579 123.385 122.820 -0.023 0.000 1.940 544 A HA -0.168 4.168 4.320 0.026 0.000 0.219 544 A C 1.801 179.365 177.584 -0.034 0.000 1.176 544 A CA 1.239 53.263 52.037 -0.021 0.000 0.631 544 A CB -0.332 18.659 19.000 -0.016 0.000 0.814 544 A HN 0.337 nan 8.150 nan 0.000 0.446 545 L N 0.248 121.435 121.223 -0.061 0.000 2.265 545 L HA -0.010 4.345 4.340 0.026 0.000 0.215 545 L C 1.617 178.444 176.870 -0.071 0.000 1.117 545 L CA 1.829 56.616 54.840 -0.088 0.000 0.782 545 L CB -0.360 41.592 42.059 -0.178 0.000 0.914 545 L HN 0.582 nan 8.230 nan 0.000 0.441 546 I N -2.988 117.551 120.570 -0.053 0.000 3.889 546 I HA 0.308 4.493 4.170 0.026 0.000 0.332 546 I C 0.090 176.204 176.117 -0.005 0.000 1.493 546 I CA -0.006 61.281 61.300 -0.021 0.000 1.158 546 I CB -0.646 37.346 38.000 -0.013 0.000 1.117 546 I HN 0.176 nan 8.210 nan 0.000 0.411 547 T N -1.934 112.615 114.554 -0.008 0.000 2.926 547 T HA 0.674 5.040 4.350 0.026 0.000 0.289 547 T C -2.579 172.121 174.700 0.001 0.000 1.054 547 T CA -1.638 60.461 62.100 -0.001 0.000 1.015 547 T CB 1.280 70.147 68.868 -0.002 0.000 1.167 547 T HN -0.117 nan 8.240 nan 0.000 0.526 548 P HA 0.430 nan 4.420 nan 0.000 0.269 548 P C -0.088 177.214 177.300 0.002 0.000 1.217 548 P CA -0.393 62.709 63.100 0.004 0.000 0.783 548 P CB -0.062 31.641 31.700 0.005 0.000 0.898 549 A N 0.000 122.822 122.820 0.003 0.000 2.254 549 A HA 0.000 4.335 4.320 0.026 0.000 0.244 549 A CA 0.000 52.039 52.037 0.003 0.000 0.836 549 A CB 0.000 19.002 19.000 0.004 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486