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 3gwf_1_A DATA FIRST_RESID 6 DATA SEQUENCE THTVDAVVIG AGFGGIYAVH KLHHELGLTT VGFDKADGPG GTWYWNRYPG DATA SEQUENCE ALSDTESHLY RFSFDRDLLQ ESTWKTTYIT QPEILEYLED VVDRFDLRRH DATA SEQUENCE FKFGTEVTSA LYLDDENLWE VTTDHGEVYR AKYVVNAVGL LSAINFPNLP DATA SEQUENCE GLDTFEGETI HTAAWPEGKS LAGRRVGVIG TGSTGQQVIT SLAPEVEHLT DATA SEQUENCE VFVRTPQYSV PVGNRPVNPE QIAEIKADYD RIWERAKNSA VAFGFEESTL DATA SEQUENCE PAMSVSEEER NRIFQEAWDH GGGFRFMFGT FGDIATDEAA NEAAASFIRA DATA SEQUENCE KVAEIIEDPE TARKLMPKGL FAKRPLCDSG YYEVYNRPNV EAVAIKENPI DATA SEQUENCE REVTAKGVVT EDGVLHELDV LVFATGFDAV DGNYRRIEIR GRDGLHINDH DATA SEQUENCE WDGQPTSYLG VSTANFPNWF MVLGPNGPFT NLPPSIETQV EWISDTIGYA DATA SEQUENCE ERNGVRAIEP TPEAEAEWTE TCTEIANATL FXXXXXXXXX XXXXXXXXXV DATA SEQUENCE LFYLGGLRNY RAVMAEVAAD GYRGFEVKS 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.474 174.700 -0.376 0.000 1.109 6 T CA 0.000 61.908 62.100 -0.320 0.000 1.349 6 T CB 0.000 68.583 68.868 -0.475 0.000 0.612 7 H N 2.599 121.546 119.070 -0.206 0.000 2.668 7 H HA 0.459 5.065 4.556 0.082 0.000 0.303 7 H C -0.509 174.822 175.328 0.005 0.000 1.074 7 H CA 0.310 56.276 56.048 -0.138 0.000 1.406 7 H CB 0.672 30.263 29.762 -0.285 0.000 1.442 7 H HN 0.169 nan 8.280 nan 0.000 0.482 8 T N 4.599 119.232 114.554 0.132 0.000 2.728 8 T HA 0.345 4.744 4.350 0.082 0.000 0.296 8 T C 0.705 175.500 174.700 0.160 0.000 0.940 8 T CA -0.662 61.513 62.100 0.125 0.000 1.013 8 T CB 0.252 69.158 68.868 0.063 0.000 0.912 8 T HN 0.477 nan 8.240 nan 0.000 0.484 9 V N 0.691 120.718 119.914 0.189 0.000 3.126 9 V HA 0.600 4.769 4.120 0.082 0.000 0.314 9 V C 0.241 176.416 176.094 0.136 0.000 1.138 9 V CA -0.892 61.507 62.300 0.166 0.000 1.034 9 V CB 2.097 34.040 31.823 0.200 0.000 1.075 9 V HN 0.505 nan 8.190 nan 0.000 0.442 10 D N 1.162 121.634 120.400 0.119 0.000 2.137 10 D HA 0.324 5.013 4.640 0.082 0.000 0.202 10 D C 0.693 177.127 176.300 0.224 0.000 0.970 10 D CA 2.014 56.105 54.000 0.152 0.000 0.837 10 D CB 0.581 41.460 40.800 0.133 0.000 0.981 10 D HN 0.977 nan 8.370 nan 0.000 0.475 11 A N 0.098 123.014 122.820 0.160 0.000 2.515 11 A HA 0.566 4.935 4.320 0.082 0.000 0.298 11 A C -1.148 176.478 177.584 0.070 0.000 1.059 11 A CA -0.525 51.608 52.037 0.160 0.000 0.698 11 A CB 2.072 21.134 19.000 0.105 0.000 1.289 11 A HN -0.092 nan 8.150 nan 0.000 0.404 12 V N 1.781 121.745 119.914 0.083 0.000 2.495 12 V HA 0.548 4.717 4.120 0.082 0.000 0.298 12 V C -0.581 175.520 176.094 0.011 0.000 1.031 12 V CA -0.465 61.869 62.300 0.058 0.000 0.871 12 V CB 1.738 33.649 31.823 0.146 0.000 0.988 12 V HN 0.709 nan 8.190 nan 0.000 0.432 13 V N 6.350 126.238 119.914 -0.042 0.000 2.448 13 V HA 0.506 4.675 4.120 0.082 0.000 0.295 13 V C -0.208 175.936 176.094 0.084 0.000 1.025 13 V CA -0.463 61.819 62.300 -0.030 0.000 0.859 13 V CB 1.763 33.518 31.823 -0.114 0.000 0.988 13 V HN 0.675 nan 8.190 nan 0.000 0.431 14 I N 4.574 125.197 120.570 0.089 0.000 2.307 14 I HA 0.764 4.983 4.170 0.082 0.000 0.289 14 I C 0.716 176.919 176.117 0.143 0.000 1.021 14 I CA -0.034 61.347 61.300 0.135 0.000 1.224 14 I CB 1.068 39.096 38.000 0.047 0.000 1.376 14 I HN 0.866 nan 8.210 nan 0.000 0.470 15 G N 4.356 113.293 108.800 0.228 0.000 2.697 15 G HA2 0.212 4.222 3.960 0.082 0.000 0.684 15 G HA3 0.212 4.222 3.960 0.082 0.000 0.684 15 G C -0.586 174.501 174.900 0.312 0.000 1.274 15 G CA -0.327 44.914 45.100 0.235 0.000 0.806 15 G HN 0.878 nan 8.290 nan 0.000 0.644 16 A N 0.851 123.805 122.820 0.223 0.000 2.749 16 A HA 0.801 5.171 4.320 0.082 0.000 0.299 16 A C 1.195 178.823 177.584 0.073 0.000 1.105 16 A CA 1.116 53.194 52.037 0.068 0.000 0.987 16 A CB -0.140 18.721 19.000 -0.232 0.000 1.180 16 A HN 2.133 nan 8.150 nan 0.000 0.528 17 G N -1.368 107.543 108.800 0.186 0.000 2.510 17 G HA2 0.419 4.429 3.960 0.082 0.000 0.280 17 G HA3 0.419 4.429 3.960 0.082 0.000 0.280 17 G C 0.625 175.685 174.900 0.267 0.000 1.386 17 G CA -0.535 44.699 45.100 0.224 0.000 1.047 17 G HN 0.129 nan 8.290 nan 0.000 0.527 18 F N 0.800 120.901 119.950 0.252 0.000 2.063 18 F HA -0.217 4.358 4.527 0.081 0.000 0.297 18 F C 2.868 178.927 175.800 0.432 0.000 1.099 18 F CA 2.385 60.547 58.000 0.270 0.000 1.220 18 F CB -0.488 38.538 39.000 0.043 0.000 0.972 18 F HN 0.439 nan 8.300 nan 0.000 0.487 19 G N -1.122 107.988 108.800 0.515 0.000 2.404 19 G HA2 -0.104 3.906 3.960 0.082 0.000 0.215 19 G HA3 -0.104 3.906 3.960 0.082 0.000 0.215 19 G C 1.995 177.097 174.900 0.337 0.000 1.174 19 G CA 0.734 46.076 45.100 0.404 0.000 0.780 19 G HN 0.556 nan 8.290 nan 0.000 0.537 20 G N 0.820 109.808 108.800 0.313 0.000 2.408 20 G HA2 -0.102 3.907 3.960 0.082 0.000 0.217 20 G HA3 -0.102 3.907 3.960 0.082 0.000 0.217 20 G C 1.775 176.920 174.900 0.408 0.000 1.150 20 G CA 0.677 45.964 45.100 0.311 0.000 0.776 20 G HN 0.426 nan 8.290 nan 0.000 0.542 21 I N -0.722 120.104 120.570 0.427 0.000 2.127 21 I HA -0.208 4.012 4.170 0.082 0.000 0.241 21 I C 2.443 178.756 176.117 0.328 0.000 1.075 21 I CA 1.198 62.749 61.300 0.417 0.000 1.334 21 I CB -0.239 37.950 38.000 0.314 0.000 1.040 21 I HN 0.159 nan 8.210 nan 0.000 0.405 22 Y N 1.477 121.849 120.300 0.120 0.000 2.242 22 Y HA -0.149 4.450 4.550 0.082 0.000 0.291 22 Y C 2.434 178.266 175.900 -0.113 0.000 1.137 22 Y CA 0.802 58.812 58.100 -0.150 0.000 1.181 22 Y CB -0.632 37.722 38.460 -0.176 0.000 0.989 22 Y HN 0.124 nan 8.280 nan 0.000 0.527 23 A N -0.859 121.942 122.820 -0.032 0.000 1.902 23 A HA -0.137 4.232 4.320 0.082 0.000 0.217 23 A C 2.419 179.889 177.584 -0.190 0.000 1.181 23 A CA 2.006 53.939 52.037 -0.173 0.000 0.623 23 A CB -1.224 17.734 19.000 -0.070 0.000 0.818 23 A HN 0.262 nan 8.150 nan 0.000 0.443 24 V N -0.501 119.358 119.914 -0.092 0.000 2.307 24 V HA -0.267 3.902 4.120 0.082 0.000 0.245 24 V C 2.458 178.472 176.094 -0.134 0.000 1.045 24 V CA 2.481 64.678 62.300 -0.172 0.000 1.024 24 V CB -1.034 30.632 31.823 -0.260 0.000 0.651 24 V HN 0.842 nan 8.190 nan 0.000 0.449 25 H N 0.897 119.873 119.070 -0.157 0.000 2.265 25 H HA -0.171 4.434 4.556 0.082 0.000 0.295 25 H C 2.298 177.458 175.328 -0.281 0.000 1.084 25 H CA 2.073 57.995 56.048 -0.211 0.000 1.261 25 H CB -0.071 29.484 29.762 -0.345 0.000 1.360 25 H HN 0.139 nan 8.280 nan 0.000 0.487 26 K N 0.286 120.349 120.400 -0.561 0.000 2.032 26 K HA -0.111 4.259 4.320 0.082 0.000 0.209 26 K C 2.576 178.887 176.600 -0.481 0.000 1.048 26 K CA 1.432 57.331 56.287 -0.646 0.000 0.927 26 K CB -0.656 31.399 32.500 -0.742 0.000 0.712 26 K HN 0.388 nan 8.250 nan 0.000 0.441 27 L N -0.282 120.710 121.223 -0.384 0.000 2.056 27 L HA -0.200 4.190 4.340 0.082 0.000 0.207 27 L C 2.668 179.372 176.870 -0.277 0.000 1.078 27 L CA 1.495 56.145 54.840 -0.317 0.000 0.749 27 L CB -0.575 41.327 42.059 -0.262 0.000 0.901 27 L HN 0.303 nan 8.230 nan 0.000 0.433 28 H N -0.857 118.003 119.070 -0.349 0.000 2.294 28 H HA -0.189 4.416 4.556 0.082 0.000 0.306 28 H C 2.423 177.595 175.328 -0.260 0.000 1.065 28 H CA 2.136 57.987 56.048 -0.328 0.000 1.343 28 H CB 0.017 29.511 29.762 -0.447 0.000 1.396 28 H HN 0.304 nan 8.280 nan 0.000 0.506 29 H N -0.299 118.492 119.070 -0.464 0.000 2.317 29 H HA 0.031 4.636 4.556 0.082 0.000 0.304 29 H C 2.386 177.458 175.328 -0.428 0.000 1.067 29 H CA 1.933 57.701 56.048 -0.467 0.000 1.352 29 H CB -0.075 29.396 29.762 -0.486 0.000 1.398 29 H HN 0.530 nan 8.280 nan 0.000 0.510 30 E N -0.214 119.611 120.200 -0.625 0.000 2.076 30 E HA -0.042 4.357 4.350 0.082 0.000 0.190 30 E C 1.742 178.083 176.600 -0.431 0.000 0.979 30 E CA 0.942 56.998 56.400 -0.574 0.000 0.807 30 E CB 0.134 29.565 29.700 -0.449 0.000 0.761 30 E HN 0.541 nan 8.360 nan 0.000 0.454 31 L N -0.852 120.140 121.223 -0.386 0.000 2.554 31 L HA 0.290 4.680 4.340 0.082 0.000 0.225 31 L C 1.302 178.007 176.870 -0.276 0.000 1.104 31 L CA 0.340 54.993 54.840 -0.311 0.000 0.866 31 L CB 0.443 42.318 42.059 -0.306 0.000 1.047 31 L HN 0.368 nan 8.230 nan 0.000 0.468 32 G N 1.237 109.840 108.800 -0.328 0.000 2.176 32 G HA2 -0.268 3.741 3.960 0.082 0.000 0.252 32 G HA3 -0.268 3.741 3.960 0.082 0.000 0.252 32 G C 0.091 174.862 174.900 -0.215 0.000 1.024 32 G CA -0.044 44.876 45.100 -0.300 0.000 0.755 32 G HN 0.219 nan 8.290 nan 0.000 0.507 33 L N 0.737 121.840 121.223 -0.200 0.000 2.357 33 L HA 0.571 4.960 4.340 0.082 0.000 0.273 33 L C 1.332 178.165 176.870 -0.062 0.000 1.080 33 L CA -0.170 54.608 54.840 -0.104 0.000 0.803 33 L CB 1.511 43.512 42.059 -0.096 0.000 1.174 33 L HN 0.323 nan 8.230 nan 0.000 0.443 34 T N -0.264 114.287 114.554 -0.005 0.000 2.737 34 T HA 0.325 4.725 4.350 0.082 0.000 0.296 34 T C -0.115 174.585 174.700 -0.000 0.000 0.922 34 T CA -0.315 61.800 62.100 0.025 0.000 1.079 34 T CB 0.233 69.137 68.868 0.059 0.000 0.892 34 T HN 0.603 nan 8.240 nan 0.000 0.514 35 T N 4.362 118.875 114.554 -0.069 0.000 2.881 35 T HA 0.557 4.956 4.350 0.082 0.000 0.290 35 T C -0.719 173.839 174.700 -0.237 0.000 1.000 35 T CA -0.636 61.373 62.100 -0.152 0.000 0.978 35 T CB 1.588 70.321 68.868 -0.225 0.000 0.997 35 T HN 0.636 nan 8.240 nan 0.000 0.443 36 V N 2.205 121.941 119.914 -0.295 0.000 2.540 36 V HA 0.840 5.009 4.120 0.082 0.000 0.302 36 V C 0.593 176.228 176.094 -0.765 0.000 1.035 36 V CA -0.688 61.286 62.300 -0.544 0.000 0.873 36 V CB 1.959 33.425 31.823 -0.595 0.000 0.992 36 V HN 1.041 nan 8.190 nan 0.000 0.428 37 G N 2.526 110.688 108.800 -1.063 0.000 2.441 37 G HA2 0.774 4.784 3.960 0.082 0.000 0.334 37 G HA3 0.774 4.784 3.960 0.082 0.000 0.334 37 G C -1.539 172.790 174.900 -0.952 0.000 1.161 37 G CA -0.387 44.102 45.100 -1.018 0.000 0.935 37 G HN 0.387 nan 8.290 nan 0.000 0.488 38 F N -0.022 119.886 119.950 -0.070 0.000 2.556 38 F HA 0.501 5.077 4.527 0.082 0.000 0.314 38 F C -0.386 175.482 175.800 0.114 0.000 1.106 38 F CA -0.834 57.157 58.000 -0.015 0.000 0.911 38 F CB 3.035 42.000 39.000 -0.058 0.000 1.190 38 F HN 0.269 nan 8.300 nan 0.000 0.448 39 D N 1.593 122.166 120.400 0.287 0.000 2.859 39 D HA 0.264 4.953 4.640 0.082 0.000 0.223 39 D C 0.201 176.685 176.300 0.307 0.000 1.218 39 D CA -0.465 53.716 54.000 0.300 0.000 0.850 39 D CB 2.417 43.393 40.800 0.293 0.000 1.656 39 D HN 0.514 nan 8.370 nan 0.000 0.484 40 K N 0.782 121.369 120.400 0.313 0.000 2.152 40 K HA 0.005 4.374 4.320 0.082 0.000 0.206 40 K C 1.039 177.847 176.600 0.346 0.000 1.048 40 K CA 0.680 57.175 56.287 0.347 0.000 0.933 40 K CB -0.039 32.685 32.500 0.374 0.000 0.721 40 K HN 0.403 nan 8.250 nan 0.000 0.447 41 A N 2.042 124.992 122.820 0.217 0.000 2.520 41 A HA -0.064 4.305 4.320 0.082 0.000 0.235 41 A C 0.344 177.715 177.584 -0.355 0.000 1.065 41 A CA -0.041 51.681 52.037 -0.524 0.000 0.764 41 A CB 0.197 18.322 19.000 -1.458 0.000 1.002 41 A HN 0.142 nan 8.150 nan 0.000 0.502 42 D N 0.643 120.807 120.400 -0.395 0.000 2.371 42 D HA 0.180 4.869 4.640 0.082 0.000 0.221 42 D C 0.851 176.825 176.300 -0.543 0.000 0.986 42 D CA 1.597 55.490 54.000 -0.177 0.000 0.899 42 D CB 0.184 41.003 40.800 0.032 0.000 0.902 42 D HN 0.710 nan 8.370 nan 0.000 0.530 43 G N 0.160 108.388 108.800 -0.954 0.000 2.645 43 G HA2 0.452 4.461 3.960 0.082 0.000 0.292 43 G HA3 0.452 4.461 3.960 0.082 0.000 0.292 43 G C -3.006 171.236 174.900 -1.097 0.000 1.415 43 G CA -0.993 43.335 45.100 -1.285 0.000 0.785 43 G HN -0.245 nan 8.290 nan 0.000 0.483 44 P HA 0.487 nan 4.420 nan 0.000 0.276 44 P C 0.679 177.863 177.300 -0.193 0.000 1.261 44 P CA 1.049 63.928 63.100 -0.369 0.000 0.800 44 P CB 1.840 33.373 31.700 -0.277 0.000 1.066 45 G N -1.759 106.998 108.800 -0.073 0.000 2.797 45 G HA2 0.062 4.072 3.960 0.082 0.000 0.195 45 G HA3 0.062 4.072 3.960 0.082 0.000 0.195 45 G C 0.697 175.714 174.900 0.195 0.000 1.026 45 G CA 0.452 45.600 45.100 0.080 0.000 0.759 45 G HN 0.887 nan 8.290 nan 0.000 0.475 46 G N -0.273 108.604 108.800 0.128 0.000 2.629 46 G HA2 -0.270 3.739 3.960 0.082 0.000 0.313 46 G HA3 -0.270 3.739 3.960 0.082 0.000 0.313 46 G C 1.330 176.440 174.900 0.350 0.000 1.217 46 G CA 2.353 47.602 45.100 0.249 0.000 0.994 46 G HN 1.600 nan 8.290 nan 0.000 0.549 47 T N 0.151 114.844 114.554 0.233 0.000 2.849 47 T HA -0.111 4.288 4.350 0.082 0.000 0.270 47 T C 1.990 176.636 174.700 -0.090 0.000 1.066 47 T CA 2.414 64.552 62.100 0.063 0.000 1.130 47 T CB -0.292 68.472 68.868 -0.173 0.000 0.864 47 T HN 0.465 nan 8.240 nan 0.000 0.481 48 W N -0.469 120.994 121.300 0.273 0.000 2.800 48 W HA 0.163 4.873 4.660 0.083 0.000 0.249 48 W C 1.837 178.431 176.519 0.124 0.000 1.294 48 W CA -0.435 57.020 57.345 0.183 0.000 1.402 48 W CB -0.310 29.247 29.460 0.162 0.000 1.126 48 W HN 0.382 nan 8.180 nan 0.000 0.652 49 Y N -1.420 118.934 120.300 0.090 0.000 2.347 49 Y HA -0.053 4.546 4.550 0.082 0.000 0.294 49 Y C 1.806 177.620 175.900 -0.143 0.000 1.117 49 Y CA 1.314 59.332 58.100 -0.137 0.000 1.184 49 Y CB -0.541 37.683 38.460 -0.394 0.000 1.047 49 Y HN -0.123 nan 8.280 nan 0.000 0.546 50 W N 1.174 122.669 121.300 0.324 0.000 2.441 50 W HA 0.003 4.712 4.660 0.081 0.000 0.302 50 W C 0.199 176.830 176.519 0.187 0.000 1.191 50 W CA 0.626 58.126 57.345 0.258 0.000 1.327 50 W CB -0.358 29.272 29.460 0.284 0.000 1.128 50 W HN -0.086 nan 8.180 nan 0.000 0.522 51 N N 0.934 119.857 118.700 0.371 0.000 2.469 51 N HA 0.239 5.028 4.740 0.082 0.000 0.239 51 N C 0.044 175.619 175.510 0.109 0.000 1.053 51 N CA -0.129 53.101 53.050 0.301 0.000 0.937 51 N CB 0.589 39.229 38.487 0.255 0.000 1.163 51 N HN -0.024 nan 8.380 nan 0.000 0.509 52 R N 1.459 122.032 120.500 0.121 0.000 2.629 52 R HA 0.081 4.470 4.340 0.082 0.000 0.386 52 R C -0.482 175.726 176.300 -0.152 0.000 1.071 52 R CA -0.532 55.560 56.100 -0.013 0.000 1.104 52 R CB 0.013 30.346 30.300 0.055 0.000 1.370 52 R HN 0.595 nan 8.270 nan 0.000 0.574 53 Y N 0.765 120.971 120.300 -0.156 0.000 2.550 53 Y HA 0.290 4.898 4.550 0.097 0.000 0.343 53 Y C -2.251 173.301 175.900 -0.580 0.000 1.245 53 Y CA -3.109 54.617 58.100 -0.622 0.000 1.462 53 Y CB -0.549 37.670 38.460 -0.401 0.000 1.340 53 Y HN -0.100 nan 8.280 nan 0.000 0.604 54 P HA 0.161 nan 4.420 nan 0.000 0.271 54 P C 0.708 177.928 177.300 -0.134 0.000 1.216 54 P CA 1.022 63.914 63.100 -0.347 0.000 0.771 54 P CB 1.146 32.649 31.700 -0.327 0.000 0.864 55 G N 1.845 110.575 108.800 -0.118 0.000 2.179 55 G HA2 -0.206 3.804 3.960 0.082 0.000 0.260 55 G HA3 -0.206 3.804 3.960 0.082 0.000 0.260 55 G C 0.426 175.304 174.900 -0.037 0.000 0.977 55 G CA 0.040 45.115 45.100 -0.042 0.000 0.641 55 G HN 0.877 nan 8.290 nan 0.000 0.533 56 A N -0.228 122.430 122.820 -0.271 0.000 2.545 56 A HA 0.590 4.959 4.320 0.082 0.000 0.253 56 A C 0.015 177.575 177.584 -0.041 0.000 1.074 56 A CA 1.163 52.968 52.037 -0.387 0.000 0.760 56 A CB 0.396 18.901 19.000 -0.824 0.000 1.005 56 A HN 1.641 nan 8.150 nan 0.000 0.506 57 L N 2.715 123.989 121.223 0.086 0.000 2.472 57 L HA 0.535 4.925 4.340 0.082 0.000 0.260 57 L C 0.422 177.379 176.870 0.146 0.000 0.963 57 L CA 0.076 54.966 54.840 0.083 0.000 0.829 57 L CB 2.223 44.295 42.059 0.022 0.000 1.348 57 L HN 0.820 nan 8.230 nan 0.000 0.408 58 S N 0.567 116.312 115.700 0.074 0.000 2.584 58 S HA 0.219 4.738 4.470 0.082 0.000 0.270 58 S C 0.318 174.990 174.600 0.119 0.000 1.346 58 S CA 0.364 58.562 58.200 -0.004 0.000 1.018 58 S CB 0.802 63.810 63.200 -0.320 0.000 0.899 58 S HN 0.729 nan 8.310 nan 0.000 0.542 59 D N -0.753 119.717 120.400 0.117 0.000 2.398 59 D HA 0.125 4.814 4.640 0.082 0.000 0.210 59 D C -0.102 176.468 176.300 0.450 0.000 1.094 59 D CA -0.133 54.010 54.000 0.237 0.000 0.839 59 D CB -0.338 40.569 40.800 0.178 0.000 0.963 59 D HN 0.451 nan 8.370 nan 0.000 0.506 60 T N 1.089 115.792 114.554 0.249 0.000 2.799 60 T HA 0.218 4.618 4.350 0.082 0.000 0.286 60 T C 0.081 174.677 174.700 -0.174 0.000 0.973 60 T CA -0.585 61.597 62.100 0.137 0.000 1.035 60 T CB 1.747 70.567 68.868 -0.081 0.000 0.932 60 T HN 0.013 nan 8.240 nan 0.000 0.469 61 E N 1.711 121.649 120.200 -0.437 0.000 2.467 61 E HA -0.003 4.396 4.350 0.082 0.000 0.264 61 E C 0.907 177.154 176.600 -0.589 0.000 1.020 61 E CA -0.220 55.697 56.400 -0.804 0.000 0.945 61 E CB 0.472 29.855 29.700 -0.528 0.000 0.942 61 E HN 0.604 nan 8.360 nan 0.000 0.449 62 S N 1.959 117.300 115.700 -0.598 0.000 2.374 62 S HA -0.260 4.259 4.470 0.082 0.000 0.227 62 S C 1.672 175.712 174.600 -0.934 0.000 1.037 62 S CA 1.964 59.739 58.200 -0.709 0.000 1.024 62 S CB -0.525 62.105 63.200 -0.951 0.000 0.861 62 S HN 0.706 nan 8.310 nan 0.000 0.456 63 H N -0.386 118.047 119.070 -1.062 0.000 2.521 63 H HA 0.185 4.791 4.556 0.082 0.000 0.286 63 H C 1.345 176.462 175.328 -0.352 0.000 1.034 63 H CA 0.679 56.217 56.048 -0.850 0.000 1.278 63 H CB -0.065 29.399 29.762 -0.497 0.000 1.386 63 H HN 0.211 nan 8.280 nan 0.000 0.567 64 L N -0.706 120.043 121.223 -0.790 0.000 2.766 64 L HA 0.147 4.536 4.340 0.082 0.000 0.242 64 L C -0.295 176.423 176.870 -0.253 0.000 1.136 64 L CA -0.126 54.331 54.840 -0.639 0.000 0.933 64 L CB -0.333 41.187 42.059 -0.899 0.000 1.241 64 L HN 0.352 nan 8.230 nan 0.000 0.522 65 Y N 3.392 123.442 120.300 -0.418 0.000 2.817 65 Y HA 0.502 5.103 4.550 0.085 0.000 0.339 65 Y C 0.449 176.144 175.900 -0.341 0.000 1.281 65 Y CA -0.784 57.096 58.100 -0.367 0.000 1.564 65 Y CB -0.515 37.745 38.460 -0.333 0.000 1.628 65 Y HN 0.226 nan 8.280 nan 0.000 0.489 66 R N 0.393 120.601 120.500 -0.486 0.000 2.829 66 R HA 0.294 4.683 4.340 0.082 0.000 0.284 66 R C -1.783 174.361 176.300 -0.260 0.000 1.006 66 R CA -0.922 54.928 56.100 -0.418 0.000 0.844 66 R CB 0.380 30.322 30.300 -0.597 0.000 1.309 66 R HN 0.103 nan 8.270 nan 0.000 0.494 67 F N 0.981 120.967 119.950 0.060 0.000 2.444 67 F HA 0.261 4.839 4.527 0.084 0.000 0.331 67 F C 1.727 177.189 175.800 -0.563 0.000 1.167 67 F CA 0.578 58.455 58.000 -0.205 0.000 1.262 67 F CB 1.437 40.346 39.000 -0.152 0.000 1.196 67 F HN 0.761 nan 8.300 nan 0.000 0.583 68 S N 0.354 115.678 115.700 -0.627 0.000 2.666 68 S HA 0.028 4.547 4.470 0.082 0.000 0.239 68 S C 1.239 175.477 174.600 -0.604 0.000 1.031 68 S CA -0.367 57.178 58.200 -1.092 0.000 1.015 68 S CB -0.938 60.914 63.200 -2.246 0.000 0.981 68 S HN 0.553 nan 8.310 nan 0.000 0.547 69 F N 1.444 121.166 119.950 -0.380 0.000 2.325 69 F HA 0.363 4.939 4.527 0.082 0.000 0.299 69 F C 0.501 176.222 175.800 -0.131 0.000 1.090 69 F CA 0.139 57.998 58.000 -0.236 0.000 1.392 69 F CB -0.317 38.559 39.000 -0.207 0.000 1.053 69 F HN 0.141 nan 8.300 nan 0.000 0.521 70 D N 1.271 121.261 120.400 -0.683 0.000 2.412 70 D HA 0.190 4.880 4.640 0.082 0.000 0.224 70 D C 0.901 177.070 176.300 -0.220 0.000 1.093 70 D CA -0.298 53.498 54.000 -0.340 0.000 0.850 70 D CB 1.064 41.637 40.800 -0.377 0.000 1.046 70 D HN 0.198 nan 8.370 nan 0.000 0.507 71 R N 2.167 122.607 120.500 -0.101 0.000 2.115 71 R HA -0.071 4.318 4.340 0.082 0.000 0.230 71 R C 0.912 177.193 176.300 -0.030 0.000 1.111 71 R CA 0.836 56.898 56.100 -0.063 0.000 0.976 71 R CB 0.331 30.628 30.300 -0.005 0.000 0.870 71 R HN 0.439 nan 8.270 nan 0.000 0.445 72 D N 0.760 121.145 120.400 -0.024 0.000 2.117 72 D HA -0.140 4.549 4.640 0.082 0.000 0.198 72 D C 1.818 178.104 176.300 -0.023 0.000 0.982 72 D CA 0.781 54.774 54.000 -0.012 0.000 0.828 72 D CB -0.133 40.659 40.800 -0.012 0.000 0.967 72 D HN 0.049 nan 8.370 nan 0.000 0.464 73 L N 0.854 122.037 121.223 -0.065 0.000 2.046 73 L HA -0.105 4.284 4.340 0.082 0.000 0.208 73 L C 2.140 179.026 176.870 0.027 0.000 1.077 73 L CA 1.336 56.146 54.840 -0.050 0.000 0.747 73 L CB -0.650 41.341 42.059 -0.113 0.000 0.896 73 L HN -0.007 nan 8.230 nan 0.000 0.432 74 L N -0.840 120.367 121.223 -0.026 0.000 2.127 74 L HA -0.217 4.172 4.340 0.082 0.000 0.211 74 L C 2.569 179.575 176.870 0.227 0.000 1.089 74 L CA 0.877 55.719 54.840 0.004 0.000 0.757 74 L CB -0.645 41.206 42.059 -0.346 0.000 0.899 74 L HN 0.364 nan 8.230 nan 0.000 0.434 75 Q N -0.182 119.710 119.800 0.152 0.000 2.230 75 Q HA -0.136 4.253 4.340 0.082 0.000 0.202 75 Q C 1.901 177.963 176.000 0.102 0.000 0.963 75 Q CA 1.164 57.061 55.803 0.157 0.000 0.866 75 Q CB 0.068 28.865 28.738 0.097 0.000 0.931 75 Q HN 0.627 nan 8.270 nan 0.000 0.452 76 E N 0.225 120.476 120.200 0.084 0.000 2.127 76 E HA 0.057 4.456 4.350 0.082 0.000 0.191 76 E C 0.218 176.855 176.600 0.060 0.000 0.964 76 E CA -0.033 56.394 56.400 0.045 0.000 0.832 76 E CB 0.291 30.001 29.700 0.016 0.000 0.790 76 E HN 0.030 nan 8.360 nan 0.000 0.465 77 S N 1.447 117.234 115.700 0.145 0.000 2.563 77 S HA 0.085 4.604 4.470 0.082 0.000 0.284 77 S C 0.334 174.994 174.600 0.100 0.000 1.331 77 S CA 0.048 58.373 58.200 0.209 0.000 1.047 77 S CB 0.745 64.170 63.200 0.376 0.000 0.859 77 S HN 0.305 nan 8.310 nan 0.000 0.514 78 T N -0.537 114.043 114.554 0.044 0.000 2.910 78 T HA 0.857 5.256 4.350 0.082 0.000 0.287 78 T C -1.106 173.646 174.700 0.086 0.000 1.050 78 T CA -1.104 60.855 62.100 -0.235 0.000 1.011 78 T CB 1.194 69.915 68.868 -0.245 0.000 1.195 78 T HN 0.860 nan 8.240 nan 0.000 0.540 79 W N -0.937 120.361 121.300 -0.004 0.000 3.146 79 W HA 0.696 5.405 4.660 0.083 0.000 0.319 79 W C -0.009 176.501 176.519 -0.016 0.000 1.258 79 W CA -1.095 56.241 57.345 -0.015 0.000 1.189 79 W CB 1.025 30.471 29.460 -0.023 0.000 1.412 79 W HN 0.469 nan 8.180 nan 0.000 0.567 80 K N 0.432 120.950 120.400 0.198 0.000 2.242 80 K HA 0.129 4.499 4.320 0.082 0.000 0.200 80 K C 0.490 177.170 176.600 0.133 0.000 1.050 80 K CA 1.370 57.711 56.287 0.090 0.000 0.981 80 K CB 0.273 32.810 32.500 0.063 0.000 0.795 80 K HN 0.693 nan 8.250 nan 0.000 0.477 81 T N -2.552 112.134 114.554 0.221 0.000 2.864 81 T HA 0.165 4.564 4.350 0.082 0.000 0.289 81 T C 1.135 175.969 174.700 0.224 0.000 1.082 81 T CA -0.465 61.744 62.100 0.182 0.000 1.009 81 T CB 1.564 70.508 68.868 0.126 0.000 1.234 81 T HN 0.057 nan 8.240 nan 0.000 0.526 82 T N -2.099 112.551 114.554 0.160 0.000 2.962 82 T HA 0.066 4.465 4.350 0.082 0.000 0.270 82 T C 0.247 174.843 174.700 -0.174 0.000 1.088 82 T CA 0.713 62.846 62.100 0.055 0.000 1.127 82 T CB -0.766 68.142 68.868 0.067 0.000 0.883 82 T HN 0.618 nan 8.240 nan 0.000 0.493 83 Y N -0.225 120.069 120.300 -0.010 0.000 2.567 83 Y HA 0.699 5.301 4.550 0.086 0.000 0.333 83 Y C -0.161 175.699 175.900 -0.067 0.000 1.106 83 Y CA -1.795 56.270 58.100 -0.058 0.000 1.157 83 Y CB 1.507 39.941 38.460 -0.044 0.000 1.277 83 Y HN 0.049 nan 8.280 nan 0.000 0.490 84 I N 1.275 121.858 120.570 0.022 0.000 2.474 84 I HA 0.405 4.624 4.170 0.082 0.000 0.294 84 I C -0.347 175.724 176.117 -0.077 0.000 1.005 84 I CA -0.416 60.853 61.300 -0.051 0.000 1.113 84 I CB 1.490 39.409 38.000 -0.134 0.000 1.289 84 I HN 0.776 nan 8.210 nan 0.000 0.436 85 T N 2.651 117.170 114.554 -0.059 0.000 2.918 85 T HA 0.166 4.565 4.350 0.082 0.000 0.283 85 T C 0.808 175.443 174.700 -0.109 0.000 1.001 85 T CA -0.424 61.642 62.100 -0.057 0.000 1.041 85 T CB 1.605 70.458 68.868 -0.026 0.000 1.028 85 T HN 0.717 nan 8.240 nan 0.000 0.511 86 Q N 0.826 120.614 119.800 -0.020 0.000 2.062 86 Q HA -0.127 4.262 4.340 0.082 0.000 0.209 86 Q C -0.841 175.174 176.000 0.024 0.000 0.996 86 Q CA 2.316 58.176 55.803 0.095 0.000 0.859 86 Q CB -1.739 27.124 28.738 0.208 0.000 0.920 86 Q HN 0.576 nan 8.270 nan 0.000 0.415 87 P HA -0.095 nan 4.420 nan 0.000 0.218 87 P C 0.713 178.007 177.300 -0.009 0.000 1.149 87 P CA 1.408 64.507 63.100 -0.002 0.000 0.817 87 P CB -0.154 31.541 31.700 -0.009 0.000 0.785 88 E N -0.601 119.585 120.200 -0.024 0.000 2.072 88 E HA -0.084 4.315 4.350 0.082 0.000 0.190 88 E C 2.011 178.595 176.600 -0.026 0.000 0.982 88 E CA 0.812 57.208 56.400 -0.006 0.000 0.803 88 E CB -0.446 29.259 29.700 0.009 0.000 0.755 88 E HN 0.245 nan 8.360 nan 0.000 0.453 89 I N 0.872 121.357 120.570 -0.141 0.000 2.179 89 I HA -0.248 3.972 4.170 0.082 0.000 0.242 89 I C 2.530 178.590 176.117 -0.096 0.000 1.088 89 I CA 0.563 61.726 61.300 -0.227 0.000 1.357 89 I CB -0.280 37.276 38.000 -0.740 0.000 1.051 89 I HN 0.132 nan 8.210 nan 0.000 0.409 90 L N 1.356 122.560 121.223 -0.032 0.000 2.012 90 L HA -0.253 4.136 4.340 0.082 0.000 0.210 90 L C 2.556 179.422 176.870 -0.006 0.000 1.073 90 L CA 2.075 56.934 54.840 0.033 0.000 0.748 90 L CB -0.756 41.344 42.059 0.068 0.000 0.891 90 L HN 0.294 nan 8.230 nan 0.000 0.431 91 E N -1.738 118.464 120.200 0.002 0.000 2.097 91 E HA -0.347 4.052 4.350 0.082 0.000 0.196 91 E C 2.276 178.881 176.600 0.009 0.000 1.000 91 E CA 1.835 58.236 56.400 0.001 0.000 0.804 91 E CB -0.521 29.190 29.700 0.018 0.000 0.740 91 E HN 0.634 nan 8.360 nan 0.000 0.454 92 Y N 1.038 121.289 120.300 -0.081 0.000 2.145 92 Y HA -0.200 4.399 4.550 0.082 0.000 0.286 92 Y C 1.920 177.755 175.900 -0.108 0.000 1.145 92 Y CA 1.898 59.947 58.100 -0.084 0.000 1.148 92 Y CB -0.288 38.114 38.460 -0.097 0.000 0.981 92 Y HN 0.044 nan 8.280 nan 0.000 0.507 93 L N 0.016 121.100 121.223 -0.233 0.000 2.093 93 L HA -0.188 4.201 4.340 0.082 0.000 0.208 93 L C 2.365 179.101 176.870 -0.223 0.000 1.085 93 L CA 1.698 56.342 54.840 -0.327 0.000 0.755 93 L CB -0.582 41.313 42.059 -0.272 0.000 0.904 93 L HN 0.280 nan 8.230 nan 0.000 0.435 94 E N 0.058 120.164 120.200 -0.156 0.000 2.085 94 E HA -0.284 4.115 4.350 0.082 0.000 0.194 94 E C 1.697 178.215 176.600 -0.137 0.000 0.994 94 E CA 1.681 58.004 56.400 -0.128 0.000 0.801 94 E CB -0.084 29.557 29.700 -0.098 0.000 0.743 94 E HN 0.455 nan 8.360 nan 0.000 0.453 95 D N -0.058 120.240 120.400 -0.170 0.000 2.117 95 D HA -0.137 4.552 4.640 0.082 0.000 0.198 95 D C 1.904 178.057 176.300 -0.244 0.000 0.982 95 D CA 0.906 54.795 54.000 -0.185 0.000 0.828 95 D CB 0.159 40.863 40.800 -0.161 0.000 0.967 95 D HN -0.067 nan 8.370 nan 0.000 0.464 96 V N -0.062 119.656 119.914 -0.326 0.000 2.282 96 V HA -0.261 3.908 4.120 0.082 0.000 0.249 96 V C 2.579 178.649 176.094 -0.040 0.000 1.057 96 V CA 1.448 63.618 62.300 -0.217 0.000 1.032 96 V CB -0.523 31.207 31.823 -0.156 0.000 0.645 96 V HN 0.188 nan 8.190 nan 0.000 0.447 97 V N 0.137 120.038 119.914 -0.022 0.000 2.287 97 V HA -0.278 3.891 4.120 0.082 0.000 0.248 97 V C 2.245 178.365 176.094 0.042 0.000 1.053 97 V CA 2.368 64.707 62.300 0.065 0.000 1.027 97 V CB -0.646 31.191 31.823 0.023 0.000 0.646 97 V HN 0.622 nan 8.190 nan 0.000 0.447 98 D N -0.713 119.663 120.400 -0.041 0.000 2.183 98 D HA -0.137 4.552 4.640 0.082 0.000 0.203 98 D C 2.269 178.501 176.300 -0.113 0.000 0.969 98 D CA 0.903 54.870 54.000 -0.055 0.000 0.842 98 D CB -0.210 40.550 40.800 -0.066 0.000 0.957 98 D HN 0.349 nan 8.370 nan 0.000 0.484 99 R N 0.117 120.474 120.500 -0.237 0.000 2.105 99 R HA -0.136 4.253 4.340 0.082 0.000 0.239 99 R C 1.086 177.082 176.300 -0.507 0.000 1.135 99 R CA 1.152 56.979 56.100 -0.455 0.000 0.967 99 R CB -0.107 29.746 30.300 -0.744 0.000 0.861 99 R HN 0.085 nan 8.270 nan 0.000 0.442 100 F N 0.527 120.451 119.950 -0.043 0.000 2.639 100 F HA 0.199 4.775 4.527 0.082 0.000 0.302 100 F C -0.019 175.827 175.800 0.078 0.000 1.097 100 F CA -0.521 57.480 58.000 0.003 0.000 1.294 100 F CB 0.219 39.191 39.000 -0.047 0.000 1.027 100 F HN 0.027 nan 8.300 nan 0.000 0.550 101 D N 0.996 121.489 120.400 0.155 0.000 2.689 101 D HA -0.209 4.480 4.640 0.082 0.000 0.237 101 D C 0.801 177.198 176.300 0.161 0.000 1.148 101 D CA 0.503 54.572 54.000 0.116 0.000 0.656 101 D CB -0.958 39.899 40.800 0.095 0.000 1.050 101 D HN 0.346 nan 8.370 nan 0.000 0.426 102 L N -0.679 120.679 121.223 0.225 0.000 2.477 102 L HA 0.117 4.506 4.340 0.082 0.000 0.220 102 L C 2.585 179.643 176.870 0.314 0.000 1.106 102 L CA 0.076 55.116 54.840 0.333 0.000 0.851 102 L CB -0.142 42.166 42.059 0.415 0.000 0.994 102 L HN 0.058 nan 8.230 nan 0.000 0.462 103 R N 1.310 121.934 120.500 0.206 0.000 2.091 103 R HA -0.179 4.210 4.340 0.082 0.000 0.238 103 R C 2.493 178.835 176.300 0.071 0.000 1.136 103 R CA 1.698 57.928 56.100 0.217 0.000 0.959 103 R CB -0.139 30.247 30.300 0.144 0.000 0.856 103 R HN 0.373 nan 8.270 nan 0.000 0.437 104 R N -1.047 119.379 120.500 -0.123 0.000 2.293 104 R HA -0.138 4.251 4.340 0.082 0.000 0.219 104 R C 0.672 176.710 176.300 -0.436 0.000 1.091 104 R CA 1.850 57.779 56.100 -0.286 0.000 1.004 104 R CB -0.429 29.637 30.300 -0.390 0.000 0.865 104 R HN 0.499 nan 8.270 nan 0.000 0.469 105 H N -1.130 117.840 119.070 -0.167 0.000 2.575 105 H HA 0.241 4.846 4.556 0.082 0.000 0.267 105 H C -0.372 174.625 175.328 -0.552 0.000 0.966 105 H CA -0.242 55.596 56.048 -0.349 0.000 1.165 105 H CB 0.234 29.743 29.762 -0.422 0.000 1.433 105 H HN 0.014 nan 8.280 nan 0.000 0.544 106 F N 1.302 121.032 119.950 -0.366 0.000 2.422 106 F HA 0.329 4.905 4.527 0.083 0.000 0.333 106 F C 0.148 175.501 175.800 -0.745 0.000 1.095 106 F CA -0.843 56.738 58.000 -0.698 0.000 1.038 106 F CB 1.327 39.689 39.000 -1.064 0.000 1.156 106 F HN -0.223 nan 8.300 nan 0.000 0.483 107 K N 4.055 124.106 120.400 -0.582 0.000 2.389 107 K HA 0.364 4.733 4.320 0.082 0.000 0.261 107 K C -1.252 175.203 176.600 -0.242 0.000 1.014 107 K CA -0.466 55.620 56.287 -0.336 0.000 0.920 107 K CB 0.911 33.285 32.500 -0.210 0.000 1.149 107 K HN 0.314 nan 8.250 nan 0.000 0.444 108 F N 0.230 120.220 119.950 0.065 0.000 2.380 108 F HA 0.312 4.888 4.527 0.082 0.000 0.321 108 F C 1.600 177.439 175.800 0.065 0.000 1.103 108 F CA -0.159 57.865 58.000 0.040 0.000 1.067 108 F CB 1.149 40.128 39.000 -0.035 0.000 1.265 108 F HN 0.780 nan 8.300 nan 0.000 0.517 109 G N 1.065 110.046 108.800 0.300 0.000 2.221 109 G HA2 -0.218 3.792 3.960 0.082 0.000 0.265 109 G HA3 -0.218 3.792 3.960 0.082 0.000 0.265 109 G C -0.172 174.883 174.900 0.259 0.000 1.041 109 G CA 0.321 45.564 45.100 0.238 0.000 0.807 109 G HN 0.757 nan 8.290 nan 0.000 0.502 110 T N -0.089 114.634 114.554 0.281 0.000 2.985 110 T HA 0.446 4.846 4.350 0.082 0.000 0.315 110 T C -0.419 174.441 174.700 0.266 0.000 1.001 110 T CA -0.504 61.779 62.100 0.305 0.000 1.016 110 T CB 1.925 70.995 68.868 0.336 0.000 0.993 110 T HN 0.412 nan 8.240 nan 0.000 0.454 111 E N 2.956 123.283 120.200 0.211 0.000 2.227 111 E HA 0.400 4.800 4.350 0.082 0.000 0.282 111 E C -0.523 176.089 176.600 0.021 0.000 1.015 111 E CA -0.607 55.867 56.400 0.123 0.000 0.823 111 E CB 0.889 30.655 29.700 0.110 0.000 1.081 111 E HN 0.298 nan 8.360 nan 0.000 0.396 112 V N 4.951 124.831 119.914 -0.057 0.000 2.427 112 V HA 0.008 4.177 4.120 0.082 0.000 0.268 112 V C 1.374 177.447 176.094 -0.035 0.000 1.046 112 V CA 0.520 62.734 62.300 -0.143 0.000 0.970 112 V CB 0.843 32.540 31.823 -0.210 0.000 1.001 112 V HN 0.939 nan 8.190 nan 0.000 0.476 113 T N 0.335 114.881 114.554 -0.012 0.000 3.040 113 T HA 0.144 4.543 4.350 0.082 0.000 0.252 113 T C 0.664 175.394 174.700 0.050 0.000 1.064 113 T CA 0.515 62.631 62.100 0.027 0.000 1.110 113 T CB 0.250 69.137 68.868 0.032 0.000 0.921 113 T HN 0.737 nan 8.240 nan 0.000 0.480 114 S N -0.103 115.627 115.700 0.050 0.000 2.579 114 S HA 0.797 5.316 4.470 0.082 0.000 0.272 114 S C -1.442 173.230 174.600 0.120 0.000 1.141 114 S CA -0.703 57.549 58.200 0.086 0.000 0.843 114 S CB 1.834 65.086 63.200 0.088 0.000 1.122 114 S HN 0.923 nan 8.310 nan 0.000 0.468 115 A N 1.768 124.706 122.820 0.196 0.000 2.530 115 A HA 0.671 5.040 4.320 0.082 0.000 0.279 115 A C -1.225 176.666 177.584 0.512 0.000 1.109 115 A CA -0.638 51.607 52.037 0.347 0.000 0.763 115 A CB 0.372 19.550 19.000 0.297 0.000 1.257 115 A HN 0.839 nan 8.150 nan 0.000 0.424 116 L N 2.186 123.666 121.223 0.429 0.000 2.333 116 L HA 0.433 4.822 4.340 0.082 0.000 0.280 116 L C -0.638 176.208 176.870 -0.040 0.000 1.004 116 L CA -0.927 54.030 54.840 0.195 0.000 0.820 116 L CB 1.599 43.692 42.059 0.057 0.000 1.247 116 L HN 0.718 nan 8.230 nan 0.000 0.416 117 Y N 4.007 123.885 120.300 -0.704 0.000 2.402 117 Y HA 0.317 4.917 4.550 0.082 0.000 0.333 117 Y C -0.280 175.275 175.900 -0.575 0.000 1.076 117 Y CA -0.289 57.129 58.100 -1.137 0.000 1.299 117 Y CB 0.621 38.187 38.460 -1.489 0.000 1.197 117 Y HN 0.392 nan 8.280 nan 0.000 0.517 118 L N 7.107 127.743 121.223 -0.979 0.000 2.270 118 L HA 0.215 4.604 4.340 0.082 0.000 0.286 118 L C 1.008 177.344 176.870 -0.890 0.000 1.059 118 L CA -0.392 54.040 54.840 -0.680 0.000 0.839 118 L CB 0.744 42.542 42.059 -0.434 0.000 1.221 118 L HN 0.707 nan 8.230 nan 0.000 0.431 119 D N 1.422 121.465 120.400 -0.595 0.000 2.104 119 D HA -0.189 4.500 4.640 0.082 0.000 0.194 119 D C 1.005 177.123 176.300 -0.303 0.000 0.994 119 D CA 1.637 55.398 54.000 -0.399 0.000 0.830 119 D CB 0.361 41.056 40.800 -0.174 0.000 0.959 119 D HN 0.626 nan 8.370 nan 0.000 0.452 120 D N 0.820 121.069 120.400 -0.250 0.000 2.144 120 D HA -0.128 4.561 4.640 0.082 0.000 0.199 120 D C 1.935 178.122 176.300 -0.188 0.000 0.984 120 D CA 0.929 54.822 54.000 -0.178 0.000 0.834 120 D CB -0.122 40.593 40.800 -0.143 0.000 0.955 120 D HN 0.478 nan 8.370 nan 0.000 0.465 121 E N -0.163 119.886 120.200 -0.252 0.000 2.476 121 E HA 0.018 4.417 4.350 0.082 0.000 0.199 121 E C -0.195 176.261 176.600 -0.240 0.000 1.021 121 E CA -0.106 56.166 56.400 -0.213 0.000 0.907 121 E CB -0.517 29.071 29.700 -0.187 0.000 0.974 121 E HN 0.223 nan 8.360 nan 0.000 0.489 122 N N 0.702 119.179 118.700 -0.372 0.000 2.738 122 N HA -0.167 4.622 4.740 0.082 0.000 0.249 122 N C -1.189 174.156 175.510 -0.275 0.000 1.047 122 N CA 0.359 53.219 53.050 -0.315 0.000 0.707 122 N CB -1.217 37.219 38.487 -0.085 0.000 0.937 122 N HN 0.204 nan 8.380 nan 0.000 0.545 123 L N -0.955 119.994 121.223 -0.456 0.000 2.350 123 L HA 0.636 5.026 4.340 0.082 0.000 0.260 123 L C -0.385 176.305 176.870 -0.301 0.000 1.015 123 L CA -0.864 53.843 54.840 -0.222 0.000 0.821 123 L CB 1.196 43.174 42.059 -0.135 0.000 1.370 123 L HN 0.062 nan 8.230 nan 0.000 0.416 124 W N 1.030 122.348 121.300 0.030 0.000 2.391 124 W HA 0.403 5.112 4.660 0.083 0.000 0.311 124 W C 0.038 176.603 176.519 0.076 0.000 1.087 124 W CA -0.149 57.262 57.345 0.110 0.000 1.209 124 W CB 1.372 30.961 29.460 0.215 0.000 1.273 124 W HN 0.345 nan 8.180 nan 0.000 0.482 125 E N 2.917 123.273 120.200 0.261 0.000 2.081 125 E HA 0.439 4.838 4.350 0.082 0.000 0.281 125 E C -1.352 175.393 176.600 0.242 0.000 0.986 125 E CA -0.345 56.169 56.400 0.191 0.000 0.796 125 E CB 0.767 30.512 29.700 0.075 0.000 1.085 125 E HN 0.239 nan 8.360 nan 0.000 0.398 126 V N 4.517 124.577 119.914 0.243 0.000 2.448 126 V HA 0.413 4.582 4.120 0.082 0.000 0.295 126 V C -0.166 176.023 176.094 0.159 0.000 1.025 126 V CA -0.639 61.772 62.300 0.184 0.000 0.859 126 V CB 1.911 33.819 31.823 0.142 0.000 0.988 126 V HN 0.758 nan 8.190 nan 0.000 0.431 127 T N 2.680 117.283 114.554 0.082 0.000 2.887 127 T HA 0.613 5.012 4.350 0.082 0.000 0.288 127 T C 0.111 174.813 174.700 0.003 0.000 1.021 127 T CA -0.556 61.592 62.100 0.079 0.000 1.000 127 T CB 1.839 70.751 68.868 0.073 0.000 1.034 127 T HN 0.866 nan 8.240 nan 0.000 0.467 128 T N -1.532 113.048 114.554 0.044 0.000 2.944 128 T HA 0.335 4.735 4.350 0.082 0.000 0.284 128 T C 0.970 175.718 174.700 0.081 0.000 1.010 128 T CA -0.750 61.370 62.100 0.033 0.000 1.025 128 T CB 0.988 69.933 68.868 0.129 0.000 1.079 128 T HN 0.557 nan 8.240 nan 0.000 0.516 129 D N -0.687 119.762 120.400 0.081 0.000 2.309 129 D HA -0.173 4.516 4.640 0.082 0.000 0.212 129 D C 1.137 177.380 176.300 -0.096 0.000 0.968 129 D CA 1.160 55.161 54.000 0.002 0.000 0.882 129 D CB -0.589 40.199 40.800 -0.021 0.000 0.918 129 D HN 0.781 nan 8.370 nan 0.000 0.503 130 H N -0.667 118.457 119.070 0.089 0.000 2.529 130 H HA 0.323 4.928 4.556 0.082 0.000 0.277 130 H C 1.324 176.703 175.328 0.086 0.000 1.004 130 H CA 0.452 56.555 56.048 0.092 0.000 1.167 130 H CB 0.749 30.576 29.762 0.110 0.000 1.445 130 H HN 0.396 nan 8.280 nan 0.000 0.554 131 G N 1.683 110.574 108.800 0.151 0.000 2.157 131 G HA2 -0.272 3.738 3.960 0.082 0.000 0.248 131 G HA3 -0.272 3.738 3.960 0.082 0.000 0.248 131 G C 0.097 175.068 174.900 0.119 0.000 0.979 131 G CA 0.176 45.342 45.100 0.110 0.000 0.650 131 G HN 0.377 nan 8.290 nan 0.000 0.529 132 E N 0.025 120.330 120.200 0.176 0.000 2.354 132 E HA 0.543 4.942 4.350 0.082 0.000 0.269 132 E C 0.190 176.887 176.600 0.162 0.000 1.036 132 E CA -0.154 56.354 56.400 0.179 0.000 0.876 132 E CB 1.229 31.116 29.700 0.312 0.000 1.009 132 E HN 0.328 nan 8.360 nan 0.000 0.416 133 V N 4.947 124.882 119.914 0.035 0.000 2.540 133 V HA 0.377 4.547 4.120 0.082 0.000 0.302 133 V C -1.136 174.937 176.094 -0.036 0.000 1.035 133 V CA -0.762 61.574 62.300 0.060 0.000 0.873 133 V CB 0.932 32.764 31.823 0.016 0.000 0.992 133 V HN 0.584 nan 8.190 nan 0.000 0.428 134 Y N 3.007 123.416 120.300 0.182 0.000 2.376 134 Y HA 0.624 5.223 4.550 0.082 0.000 0.340 134 Y C 0.423 176.420 175.900 0.161 0.000 0.965 134 Y CA -0.792 57.439 58.100 0.218 0.000 1.078 134 Y CB 1.965 40.581 38.460 0.260 0.000 1.193 134 Y HN 0.435 nan 8.280 nan 0.000 0.452 135 R N 2.294 122.948 120.500 0.257 0.000 2.295 135 R HA 0.853 5.242 4.340 0.082 0.000 0.324 135 R C -0.957 175.465 176.300 0.203 0.000 0.968 135 R CA -0.759 55.452 56.100 0.185 0.000 0.837 135 R CB 1.389 31.741 30.300 0.085 0.000 1.133 135 R HN 0.739 nan 8.270 nan 0.000 0.450 136 A N 2.339 125.293 122.820 0.223 0.000 2.435 136 A HA 0.336 4.706 4.320 0.082 0.000 0.304 136 A C 0.160 177.847 177.584 0.171 0.000 1.064 136 A CA -0.798 51.365 52.037 0.210 0.000 0.727 136 A CB 1.609 20.759 19.000 0.249 0.000 1.284 136 A HN 0.753 nan 8.150 nan 0.000 0.415 137 K N -0.191 120.231 120.400 0.037 0.000 2.155 137 K HA 0.019 4.388 4.320 0.082 0.000 0.203 137 K C -0.747 175.648 176.600 -0.343 0.000 1.052 137 K CA 1.456 57.599 56.287 -0.239 0.000 0.948 137 K CB -0.100 32.093 32.500 -0.512 0.000 0.728 137 K HN 0.660 nan 8.250 nan 0.000 0.448 138 Y N -0.721 119.734 120.300 0.259 0.000 2.512 138 Y HA 0.386 4.985 4.550 0.082 0.000 0.348 138 Y C -0.562 175.399 175.900 0.102 0.000 0.990 138 Y CA -1.292 56.944 58.100 0.227 0.000 1.033 138 Y CB 1.869 40.442 38.460 0.187 0.000 1.259 138 Y HN -0.410 nan 8.280 nan 0.000 0.461 139 V N 3.413 123.399 119.914 0.121 0.000 2.531 139 V HA 0.520 4.689 4.120 0.082 0.000 0.301 139 V C -0.901 175.130 176.094 -0.104 0.000 1.034 139 V CA -0.874 61.365 62.300 -0.102 0.000 0.865 139 V CB 1.740 33.314 31.823 -0.415 0.000 0.995 139 V HN 0.553 nan 8.190 nan 0.000 0.424 140 V N 4.448 124.322 119.914 -0.066 0.000 2.384 140 V HA 0.417 4.586 4.120 0.082 0.000 0.287 140 V C -0.229 175.788 176.094 -0.128 0.000 1.020 140 V CA -0.752 61.508 62.300 -0.067 0.000 0.850 140 V CB 1.688 33.498 31.823 -0.021 0.000 0.987 140 V HN 0.959 nan 8.190 nan 0.000 0.436 141 N N 3.532 122.103 118.700 -0.215 0.000 2.485 141 N HA 0.601 5.390 4.740 0.082 0.000 0.243 141 N C -0.068 175.433 175.510 -0.016 0.000 0.987 141 N CA -0.202 52.755 53.050 -0.154 0.000 0.940 141 N CB 1.552 39.903 38.487 -0.228 0.000 1.122 141 N HN 0.834 nan 8.380 nan 0.000 0.509 142 A N 1.742 124.580 122.820 0.030 0.000 3.150 142 A HA 0.266 4.635 4.320 0.082 0.000 0.328 142 A C 0.890 178.523 177.584 0.082 0.000 1.104 142 A CA -0.647 51.449 52.037 0.098 0.000 0.937 142 A CB -0.437 18.654 19.000 0.152 0.000 1.073 142 A HN 0.584 nan 8.150 nan 0.000 0.497 143 V N -1.576 118.339 119.914 0.002 0.000 3.608 143 V HA 0.485 4.655 4.120 0.082 0.000 0.269 143 V C 1.211 177.297 176.094 -0.013 0.000 1.245 143 V CA 0.403 62.669 62.300 -0.056 0.000 1.138 143 V CB -1.567 30.096 31.823 -0.267 0.000 0.841 143 V HN 1.644 nan 8.190 nan 0.000 0.451 144 G N 1.329 110.161 108.800 0.053 0.000 2.598 144 G HA2 -0.282 3.728 3.960 0.082 0.000 0.269 144 G HA3 -0.282 3.728 3.960 0.082 0.000 0.269 144 G C 0.172 175.077 174.900 0.009 0.000 1.289 144 G CA 0.480 45.616 45.100 0.060 0.000 0.926 144 G HN 0.556 nan 8.290 nan 0.000 0.567 145 L N -0.159 121.036 121.223 -0.047 0.000 2.731 145 L HA 0.325 4.715 4.340 0.082 0.000 0.240 145 L C 1.218 177.898 176.870 -0.317 0.000 1.120 145 L CA -0.120 54.664 54.840 -0.093 0.000 0.913 145 L CB 0.116 42.161 42.059 -0.023 0.000 1.213 145 L HN 0.343 nan 8.230 nan 0.000 0.515 146 L N 1.640 122.591 121.223 -0.453 0.000 2.388 146 L HA 0.089 4.478 4.340 0.082 0.000 0.252 146 L C 1.111 177.684 176.870 -0.494 0.000 1.357 146 L CA -0.314 54.021 54.840 -0.840 0.000 1.214 146 L CB -1.014 40.636 42.059 -0.683 0.000 1.392 146 L HN 0.270 nan 8.230 nan 0.000 0.432 147 S N 0.884 116.391 115.700 -0.323 0.000 2.502 147 S HA 0.453 4.972 4.470 0.082 0.000 0.251 147 S C 0.784 175.378 174.600 -0.011 0.000 1.254 147 S CA -0.407 57.730 58.200 -0.106 0.000 0.989 147 S CB 0.474 63.672 63.200 -0.004 0.000 1.015 147 S HN 0.473 nan 8.310 nan 0.000 0.529 148 A N 0.217 123.067 122.820 0.050 0.000 2.540 148 A HA 0.328 4.697 4.320 0.082 0.000 0.239 148 A C 0.285 177.967 177.584 0.163 0.000 1.061 148 A CA -0.365 51.716 52.037 0.074 0.000 0.758 148 A CB -0.986 18.045 19.000 0.053 0.000 0.991 148 A HN 0.615 nan 8.150 nan 0.000 0.502 149 I N 2.887 123.508 120.570 0.085 0.000 2.494 149 I HA -0.023 4.196 4.170 0.082 0.000 0.289 149 I C 1.074 177.099 176.117 -0.153 0.000 1.106 149 I CA 0.162 61.394 61.300 -0.115 0.000 1.369 149 I CB -0.009 37.810 38.000 -0.302 0.000 1.410 149 I HN 0.761 nan 8.210 nan 0.000 0.523 150 N N 7.564 126.164 118.700 -0.165 0.000 2.400 150 N HA 0.043 4.832 4.740 0.082 0.000 0.267 150 N C -0.957 174.532 175.510 -0.034 0.000 1.208 150 N CA -0.101 52.925 53.050 -0.040 0.000 0.951 150 N CB 0.322 38.816 38.487 0.012 0.000 1.227 150 N HN 0.561 nan 8.380 nan 0.000 0.488 151 F N 5.940 125.796 119.950 -0.156 0.000 2.449 151 F HA 0.374 4.954 4.527 0.088 0.000 0.329 151 F C -1.735 173.881 175.800 -0.306 0.000 1.245 151 F CA -2.089 55.748 58.000 -0.271 0.000 1.193 151 F CB 0.788 39.614 39.000 -0.291 0.000 1.425 151 F HN 0.435 nan 8.300 nan 0.000 0.544 152 P HA -0.071 nan 4.420 nan 0.000 0.269 152 P C -0.891 176.418 177.300 0.016 0.000 1.211 152 P CA 0.048 63.179 63.100 0.051 0.000 0.781 152 P CB 0.755 32.529 31.700 0.124 0.000 0.877 153 N N 0.935 119.643 118.700 0.014 0.000 3.229 153 N HA 0.207 4.997 4.740 0.082 0.000 0.275 153 N C -0.509 175.006 175.510 0.009 0.000 1.225 153 N CA -0.194 52.851 53.050 -0.008 0.000 1.119 153 N CB -0.733 37.745 38.487 -0.014 0.000 1.392 153 N HN 0.287 nan 8.380 nan 0.000 0.520 154 L N 1.709 122.949 121.223 0.027 0.000 2.380 154 L HA 0.426 4.815 4.340 0.082 0.000 0.273 154 L C -1.763 175.113 176.870 0.009 0.000 1.138 154 L CA -1.913 52.940 54.840 0.022 0.000 0.832 154 L CB 0.311 42.391 42.059 0.034 0.000 1.124 154 L HN 0.184 nan 8.230 nan 0.000 0.454 155 P HA 0.054 nan 4.420 nan 0.000 0.264 155 P C 0.790 178.099 177.300 0.014 0.000 1.193 155 P CA 0.546 63.650 63.100 0.007 0.000 0.763 155 P CB 0.753 32.457 31.700 0.007 0.000 0.810 156 G N 2.163 110.975 108.800 0.019 0.000 2.162 156 G HA2 -0.320 3.689 3.960 0.082 0.000 0.260 156 G HA3 -0.320 3.689 3.960 0.082 0.000 0.260 156 G C 0.700 175.633 174.900 0.054 0.000 0.976 156 G CA 0.228 45.349 45.100 0.036 0.000 0.655 156 G HN 0.557 nan 8.290 nan 0.000 0.533 157 L N 0.982 122.229 121.223 0.039 0.000 2.079 157 L HA 0.037 4.427 4.340 0.082 0.000 0.210 157 L C 2.241 179.162 176.870 0.085 0.000 1.081 157 L CA 2.964 57.839 54.840 0.059 0.000 0.752 157 L CB -0.458 41.614 42.059 0.022 0.000 0.896 157 L HN 0.249 nan 8.230 nan 0.000 0.433 158 D N -1.167 119.258 120.400 0.042 0.000 2.221 158 D HA -0.180 4.509 4.640 0.082 0.000 0.204 158 D C 2.211 178.556 176.300 0.076 0.000 0.982 158 D CA 1.688 55.711 54.000 0.039 0.000 0.857 158 D CB -0.244 40.561 40.800 0.009 0.000 0.934 158 D HN 0.586 nan 8.370 nan 0.000 0.475 159 T N -2.217 112.395 114.554 0.097 0.000 3.043 159 T HA -0.071 4.328 4.350 0.082 0.000 0.263 159 T C 0.835 175.624 174.700 0.148 0.000 1.094 159 T CA -0.402 61.756 62.100 0.097 0.000 1.127 159 T CB -0.533 68.384 68.868 0.083 0.000 0.905 159 T HN -0.038 nan 8.240 nan 0.000 0.490 160 F N 3.977 123.947 119.950 0.033 0.000 2.612 160 F HA 0.129 4.713 4.527 0.096 0.000 0.389 160 F C 1.442 177.264 175.800 0.037 0.000 1.055 160 F CA -1.093 56.934 58.000 0.045 0.000 1.232 160 F CB 0.551 39.593 39.000 0.069 0.000 1.044 160 F HN 0.403 nan 8.300 nan 0.000 0.560 161 E N 3.338 123.269 120.200 -0.448 0.000 2.442 161 E HA 0.207 4.606 4.350 0.082 0.000 0.195 161 E C 1.044 177.352 176.600 -0.486 0.000 1.030 161 E CA 0.339 56.526 56.400 -0.354 0.000 0.869 161 E CB 0.001 29.566 29.700 -0.224 0.000 0.857 161 E HN 0.660 nan 8.360 nan 0.000 0.505 162 G N 0.731 108.894 108.800 -1.063 0.000 2.510 162 G HA2 0.161 4.170 3.960 0.082 0.000 0.280 162 G HA3 0.161 4.170 3.960 0.082 0.000 0.280 162 G C -1.016 173.803 174.900 -0.134 0.000 1.386 162 G CA -0.684 44.036 45.100 -0.632 0.000 1.047 162 G HN 0.225 nan 8.290 nan 0.000 0.527 163 E N -1.144 119.120 120.200 0.107 0.000 2.249 163 E HA 0.424 4.823 4.350 0.082 0.000 0.280 163 E C -0.549 176.253 176.600 0.337 0.000 1.016 163 E CA -0.328 56.177 56.400 0.176 0.000 0.830 163 E CB 1.050 30.788 29.700 0.063 0.000 1.081 163 E HN 0.318 nan 8.360 nan 0.000 0.395 164 T N 4.926 119.669 114.554 0.315 0.000 2.771 164 T HA 0.532 4.931 4.350 0.082 0.000 0.281 164 T C -0.661 174.210 174.700 0.285 0.000 0.982 164 T CA -0.527 61.792 62.100 0.366 0.000 0.978 164 T CB 0.180 69.318 68.868 0.450 0.000 0.930 164 T HN 0.402 nan 8.240 nan 0.000 0.447 165 I N 4.776 125.474 120.570 0.214 0.000 2.533 165 I HA 0.369 4.588 4.170 0.082 0.000 0.290 165 I C -0.224 175.935 176.117 0.069 0.000 1.056 165 I CA -1.112 60.213 61.300 0.042 0.000 1.057 165 I CB 2.098 39.904 38.000 -0.323 0.000 1.240 165 I HN 0.618 nan 8.210 nan 0.000 0.423 166 H N 3.980 122.997 119.070 -0.089 0.000 2.479 166 H HA 0.199 4.808 4.556 0.090 0.000 0.335 166 H C 0.761 176.135 175.328 0.076 0.000 1.142 166 H CA -0.018 55.922 56.048 -0.179 0.000 1.234 166 H CB 2.164 31.643 29.762 -0.472 0.000 1.503 166 H HN 0.829 nan 8.280 nan 0.000 0.510 167 T N 0.830 115.291 114.554 -0.155 0.000 2.881 167 T HA -0.089 4.310 4.350 0.082 0.000 0.270 167 T C 1.711 176.671 174.700 0.433 0.000 1.068 167 T CA 0.885 63.093 62.100 0.181 0.000 1.131 167 T CB -0.176 68.518 68.868 -0.290 0.000 0.871 167 T HN 0.501 nan 8.240 nan 0.000 0.479 168 A N 0.758 123.901 122.820 0.539 0.000 2.238 168 A HA 0.733 5.102 4.320 0.082 0.000 0.208 168 A C 1.743 179.620 177.584 0.489 0.000 1.177 168 A CA 0.383 52.750 52.037 0.549 0.000 0.804 168 A CB -0.339 18.992 19.000 0.551 0.000 0.823 168 A HN 0.802 nan 8.150 nan 0.000 0.482 169 A N -1.113 121.972 122.820 0.441 0.000 3.176 169 A HA 0.379 4.748 4.320 0.082 0.000 0.265 169 A C -0.388 177.396 177.584 0.333 0.000 0.936 169 A CA -0.441 51.819 52.037 0.371 0.000 1.033 169 A CB -0.269 18.908 19.000 0.294 0.000 1.158 169 A HN 0.491 nan 8.150 nan 0.000 0.485 170 W N 2.485 123.910 121.300 0.209 0.000 2.308 170 W HA 0.271 4.973 4.660 0.070 0.000 0.324 170 W C -2.785 173.809 176.519 0.126 0.000 1.387 170 W CA -1.500 55.944 57.345 0.165 0.000 1.250 170 W CB 0.818 30.384 29.460 0.177 0.000 1.257 170 W HN 0.251 nan 8.180 nan 0.000 0.554 171 P HA -0.020 nan 4.420 nan 0.000 0.267 171 P C 0.264 177.686 177.300 0.203 0.000 1.209 171 P CA 0.493 63.626 63.100 0.055 0.000 0.763 171 P CB 0.739 32.396 31.700 -0.072 0.000 0.816 172 E N 2.316 122.613 120.200 0.161 0.000 2.049 172 E HA -0.197 4.203 4.350 0.082 0.000 0.198 172 E C 2.274 178.967 176.600 0.154 0.000 1.007 172 E CA 1.966 58.457 56.400 0.152 0.000 0.809 172 E CB -1.108 28.636 29.700 0.073 0.000 0.749 172 E HN 0.619 nan 8.360 nan 0.000 0.450 173 G N 0.921 109.790 108.800 0.115 0.000 2.432 173 G HA2 -0.254 3.755 3.960 0.082 0.000 0.219 173 G HA3 -0.254 3.755 3.960 0.082 0.000 0.219 173 G C 0.681 175.670 174.900 0.148 0.000 1.135 173 G CA 0.146 45.309 45.100 0.105 0.000 0.767 173 G HN 0.052 nan 8.290 nan 0.000 0.550 174 K N 1.197 121.705 120.400 0.181 0.000 2.402 174 K HA 0.236 4.605 4.320 0.082 0.000 0.279 174 K C -0.240 176.559 176.600 0.331 0.000 1.082 174 K CA 0.123 56.521 56.287 0.185 0.000 1.080 174 K CB 0.196 32.699 32.500 0.005 0.000 0.899 174 K HN 0.075 nan 8.250 nan 0.000 0.469 175 S N 4.260 120.089 115.700 0.215 0.000 2.473 175 S HA 0.418 4.937 4.470 0.082 0.000 0.307 175 S C 0.234 174.938 174.600 0.174 0.000 1.094 175 S CA -0.886 57.442 58.200 0.213 0.000 1.070 175 S CB 0.487 63.769 63.200 0.137 0.000 1.019 175 S HN 0.601 nan 8.310 nan 0.000 0.480 176 L N 3.486 124.831 121.223 0.203 0.000 2.685 176 L HA 0.400 4.789 4.340 0.082 0.000 0.233 176 L C 1.059 177.998 176.870 0.114 0.000 1.173 176 L CA -0.436 54.498 54.840 0.156 0.000 0.961 176 L CB -0.524 41.656 42.059 0.201 0.000 1.217 176 L HN 0.691 nan 8.230 nan 0.000 0.478 177 A N 0.420 123.299 122.820 0.098 0.000 2.546 177 A HA 0.390 4.759 4.320 0.082 0.000 0.243 177 A C 1.481 179.101 177.584 0.060 0.000 1.063 177 A CA 0.805 52.884 52.037 0.070 0.000 0.757 177 A CB -0.167 18.868 19.000 0.059 0.000 0.991 177 A HN 0.663 nan 8.150 nan 0.000 0.503 178 G N 2.004 110.836 108.800 0.054 0.000 2.148 178 G HA2 -0.243 3.766 3.960 0.082 0.000 0.254 178 G HA3 -0.243 3.766 3.960 0.082 0.000 0.254 178 G C 0.330 175.265 174.900 0.057 0.000 0.981 178 G CA 0.811 45.941 45.100 0.049 0.000 0.670 178 G HN 0.957 nan 8.290 nan 0.000 0.528 179 R N -0.679 119.863 120.500 0.070 0.000 2.828 179 R HA 0.671 5.061 4.340 0.082 0.000 0.264 179 R C 0.319 176.680 176.300 0.101 0.000 1.022 179 R CA -0.963 55.185 56.100 0.080 0.000 1.021 179 R CB 0.950 31.299 30.300 0.082 0.000 1.163 179 R HN 0.170 nan 8.270 nan 0.000 0.494 180 R N 1.075 121.644 120.500 0.114 0.000 2.202 180 R HA 0.329 4.718 4.340 0.082 0.000 0.334 180 R C -0.922 175.477 176.300 0.164 0.000 1.036 180 R CA -0.389 55.802 56.100 0.151 0.000 0.878 180 R CB 1.093 31.474 30.300 0.135 0.000 1.067 180 R HN 0.204 nan 8.270 nan 0.000 0.457 181 V N 1.764 121.772 119.914 0.156 0.000 2.604 181 V HA 0.589 4.758 4.120 0.082 0.000 0.305 181 V C 0.387 176.549 176.094 0.113 0.000 1.043 181 V CA -0.928 61.450 62.300 0.130 0.000 0.888 181 V CB 2.132 34.019 31.823 0.107 0.000 0.995 181 V HN 0.923 nan 8.190 nan 0.000 0.429 182 G N 2.363 111.226 108.800 0.105 0.000 2.461 182 G HA2 0.654 4.663 3.960 0.082 0.000 0.323 182 G HA3 0.654 4.663 3.960 0.082 0.000 0.323 182 G C -1.317 173.605 174.900 0.036 0.000 1.229 182 G CA -0.532 44.641 45.100 0.122 0.000 0.941 182 G HN 0.557 nan 8.290 nan 0.000 0.477 183 V N 2.988 122.927 119.914 0.041 0.000 2.487 183 V HA 0.444 4.613 4.120 0.082 0.000 0.298 183 V C -0.250 175.857 176.094 0.022 0.000 1.028 183 V CA -0.601 61.682 62.300 -0.028 0.000 0.860 183 V CB 1.615 33.427 31.823 -0.017 0.000 0.991 183 V HN 0.644 nan 8.190 nan 0.000 0.427 184 I N 4.133 124.610 120.570 -0.155 0.000 2.330 184 I HA 0.787 5.007 4.170 0.082 0.000 0.289 184 I C 0.549 176.613 176.117 -0.088 0.000 1.001 184 I CA -0.100 61.135 61.300 -0.108 0.000 1.193 184 I CB 1.574 39.389 38.000 -0.308 0.000 1.345 184 I HN 0.881 nan 8.210 nan 0.000 0.461 185 G N 3.165 111.951 108.800 -0.023 0.000 3.187 185 G HA2 -0.001 4.008 3.960 0.082 0.000 0.682 185 G HA3 -0.001 4.008 3.960 0.082 0.000 0.682 185 G C -0.234 174.637 174.900 -0.048 0.000 1.266 185 G CA -0.330 44.745 45.100 -0.041 0.000 0.902 185 G HN 0.732 nan 8.290 nan 0.000 0.589 186 T N -0.020 114.509 114.554 -0.042 0.000 3.380 186 T HA 0.636 5.036 4.350 0.082 0.000 0.289 186 T C 1.266 175.893 174.700 -0.123 0.000 1.012 186 T CA 0.917 62.971 62.100 -0.077 0.000 0.944 186 T CB 0.591 69.459 68.868 0.000 0.000 1.172 186 T HN 1.717 nan 8.240 nan 0.000 0.502 187 G N 1.697 110.439 108.800 -0.097 0.000 2.525 187 G HA2 0.350 4.359 3.960 0.082 0.000 0.276 187 G HA3 0.350 4.359 3.960 0.082 0.000 0.276 187 G C 1.252 176.078 174.900 -0.124 0.000 1.388 187 G CA 0.003 45.057 45.100 -0.077 0.000 1.050 187 G HN 0.423 nan 8.290 nan 0.000 0.520 188 S N -1.259 114.401 115.700 -0.067 0.000 2.359 188 S HA -0.185 4.335 4.470 0.082 0.000 0.224 188 S C 2.186 176.736 174.600 -0.083 0.000 1.035 188 S CA 2.185 60.347 58.200 -0.064 0.000 1.018 188 S CB -0.920 62.293 63.200 0.021 0.000 0.876 188 S HN 0.504 nan 8.310 nan 0.000 0.448 189 T N 2.001 116.494 114.554 -0.101 0.000 2.708 189 T HA 0.035 4.434 4.350 0.082 0.000 0.266 189 T C 2.084 176.573 174.700 -0.352 0.000 1.037 189 T CA 1.487 63.425 62.100 -0.270 0.000 1.146 189 T CB -1.152 67.487 68.868 -0.382 0.000 0.865 189 T HN 0.636 nan 8.240 nan 0.000 0.435 190 G N 0.826 109.466 108.800 -0.266 0.000 2.418 190 G HA2 -0.224 3.785 3.960 0.082 0.000 0.217 190 G HA3 -0.224 3.785 3.960 0.082 0.000 0.217 190 G C 1.522 176.313 174.900 -0.181 0.000 1.158 190 G CA 0.606 45.577 45.100 -0.214 0.000 0.771 190 G HN 0.477 nan 8.290 nan 0.000 0.545 191 Q N -0.200 119.432 119.800 -0.279 0.000 2.061 191 Q HA -0.185 4.204 4.340 0.082 0.000 0.204 191 Q C 2.778 178.680 176.000 -0.164 0.000 0.984 191 Q CA 1.606 57.154 55.803 -0.426 0.000 0.846 191 Q CB -0.231 28.079 28.738 -0.714 0.000 0.902 191 Q HN 0.597 nan 8.270 nan 0.000 0.421 192 Q N -0.208 119.522 119.800 -0.116 0.000 2.084 192 Q HA -0.147 4.242 4.340 0.082 0.000 0.202 192 Q C 2.265 178.271 176.000 0.010 0.000 0.978 192 Q CA 1.581 57.381 55.803 -0.005 0.000 0.844 192 Q CB -0.043 28.778 28.738 0.138 0.000 0.898 192 Q HN 0.234 nan 8.270 nan 0.000 0.426 193 V N 0.960 120.845 119.914 -0.049 0.000 2.295 193 V HA -0.262 3.908 4.120 0.082 0.000 0.246 193 V C 2.163 178.239 176.094 -0.031 0.000 1.049 193 V CA 1.555 63.819 62.300 -0.061 0.000 1.024 193 V CB -0.513 31.229 31.823 -0.136 0.000 0.648 193 V HN 0.321 nan 8.190 nan 0.000 0.447 194 I N 0.257 120.816 120.570 -0.017 0.000 2.163 194 I HA -0.272 3.948 4.170 0.082 0.000 0.243 194 I C 2.579 178.678 176.117 -0.030 0.000 1.085 194 I CA 2.088 63.385 61.300 -0.005 0.000 1.347 194 I CB -0.654 37.396 38.000 0.084 0.000 1.044 194 I HN 0.314 nan 8.210 nan 0.000 0.408 195 T N -0.698 113.860 114.554 0.007 0.000 2.746 195 T HA -0.191 4.208 4.350 0.082 0.000 0.267 195 T C 2.095 176.772 174.700 -0.037 0.000 1.039 195 T CA 1.720 63.809 62.100 -0.019 0.000 1.142 195 T CB -0.261 68.611 68.868 0.007 0.000 0.866 195 T HN 0.314 nan 8.240 nan 0.000 0.444 196 S N 0.440 116.123 115.700 -0.028 0.000 2.368 196 S HA -0.060 4.459 4.470 0.082 0.000 0.225 196 S C 1.860 176.445 174.600 -0.026 0.000 1.030 196 S CA 0.765 58.945 58.200 -0.032 0.000 0.999 196 S CB -0.290 62.885 63.200 -0.042 0.000 0.844 196 S HN 0.171 nan 8.310 nan 0.000 0.459 197 L N 1.449 122.659 121.223 -0.022 0.000 2.162 197 L HA 0.341 4.731 4.340 0.082 0.000 0.205 197 L C 2.733 179.586 176.870 -0.028 0.000 1.086 197 L CA 1.379 56.218 54.840 -0.001 0.000 0.778 197 L CB -1.670 40.404 42.059 0.026 0.000 0.928 197 L HN 0.340 nan 8.230 nan 0.000 0.446 198 A N 0.794 123.571 122.820 -0.071 0.000 1.896 198 A HA -0.206 4.163 4.320 0.082 0.000 0.220 198 A C -0.152 177.386 177.584 -0.077 0.000 1.206 198 A CA 2.413 54.385 52.037 -0.110 0.000 0.647 198 A CB -2.091 16.809 19.000 -0.166 0.000 0.828 198 A HN 0.375 nan 8.150 nan 0.000 0.455 199 P HA -0.047 nan 4.420 nan 0.000 0.233 199 P C 0.857 178.146 177.300 -0.019 0.000 1.167 199 P CA 1.395 64.472 63.100 -0.038 0.000 0.770 199 P CB 0.011 31.692 31.700 -0.032 0.000 0.837 200 E N -2.154 118.041 120.200 -0.008 0.000 2.514 200 E HA 0.138 4.537 4.350 0.082 0.000 0.215 200 E C 0.111 176.725 176.600 0.023 0.000 0.946 200 E CA -0.055 56.352 56.400 0.011 0.000 1.038 200 E CB 0.086 29.799 29.700 0.022 0.000 1.069 200 E HN -0.140 nan 8.360 nan 0.000 0.503 201 V N 2.195 122.118 119.914 0.016 0.000 2.686 201 V HA -0.005 4.164 4.120 0.082 0.000 0.295 201 V C 1.411 177.524 176.094 0.033 0.000 1.057 201 V CA 0.021 62.340 62.300 0.033 0.000 1.012 201 V CB 1.564 33.404 31.823 0.029 0.000 1.006 201 V HN 0.306 nan 8.190 nan 0.000 0.477 202 E N 2.784 123.021 120.200 0.061 0.000 2.051 202 E HA -0.151 4.249 4.350 0.082 0.000 0.192 202 E C 0.203 176.879 176.600 0.126 0.000 0.991 202 E CA 1.301 57.748 56.400 0.079 0.000 0.799 202 E CB 0.184 29.935 29.700 0.084 0.000 0.748 202 E HN 0.782 nan 8.360 nan 0.000 0.449 203 H N -1.616 117.464 119.070 0.017 0.000 3.046 203 H HA 0.445 5.050 4.556 0.080 0.000 0.363 203 H C -2.049 173.281 175.328 0.002 0.000 1.203 203 H CA -0.876 55.177 56.048 0.008 0.000 1.169 203 H CB 1.560 31.334 29.762 0.020 0.000 1.851 203 H HN 0.072 nan 8.280 nan 0.000 0.546 204 L N 3.616 124.591 121.223 -0.414 0.000 2.376 204 L HA 0.552 4.941 4.340 0.082 0.000 0.275 204 L C -1.115 175.603 176.870 -0.253 0.000 0.987 204 L CA -0.042 54.666 54.840 -0.221 0.000 0.828 204 L CB 1.890 43.822 42.059 -0.213 0.000 1.249 204 L HN 0.765 nan 8.230 nan 0.000 0.409 205 T N 4.550 119.048 114.554 -0.094 0.000 2.770 205 T HA 0.608 5.007 4.350 0.082 0.000 0.283 205 T C -0.637 173.833 174.700 -0.382 0.000 0.988 205 T CA -0.391 61.572 62.100 -0.228 0.000 0.957 205 T CB 1.360 70.097 68.868 -0.218 0.000 0.930 205 T HN 0.312 nan 8.240 nan 0.000 0.443 206 V N 4.355 124.047 119.914 -0.369 0.000 2.370 206 V HA 0.432 4.602 4.120 0.082 0.000 0.283 206 V C -0.654 175.198 176.094 -0.402 0.000 1.023 206 V CA -0.892 61.270 62.300 -0.229 0.000 0.857 206 V CB 0.681 32.546 31.823 0.070 0.000 0.985 206 V HN 0.819 nan 8.190 nan 0.000 0.443 207 F N 4.190 124.100 119.950 -0.067 0.000 2.377 207 F HA 0.407 4.932 4.527 -0.003 0.000 0.360 207 F C 0.333 176.104 175.800 -0.047 0.000 1.147 207 F CA -0.581 57.368 58.000 -0.084 0.000 1.170 207 F CB 0.866 39.790 39.000 -0.126 0.000 1.339 207 F HN 0.215 nan 8.300 nan 0.000 0.552 208 V N 4.721 124.675 119.914 0.066 0.000 2.432 208 V HA 0.334 4.504 4.120 0.082 0.000 0.275 208 V C 0.882 177.000 176.094 0.040 0.000 1.043 208 V CA -0.496 61.830 62.300 0.043 0.000 0.925 208 V CB 1.443 33.262 31.823 -0.007 0.000 0.985 208 V HN 0.788 nan 8.190 nan 0.000 0.466 209 R N 2.625 123.147 120.500 0.037 0.000 2.102 209 R HA 0.176 4.565 4.340 0.082 0.000 0.208 209 R C 0.099 176.407 176.300 0.013 0.000 1.131 209 R CA 0.654 56.770 56.100 0.028 0.000 1.054 209 R CB 0.568 30.887 30.300 0.032 0.000 0.954 209 R HN 0.747 nan 8.270 nan 0.000 0.465 210 T N 3.679 118.240 114.554 0.013 0.000 2.892 210 T HA 0.344 4.743 4.350 0.082 0.000 0.311 210 T C -2.723 171.976 174.700 -0.002 0.000 1.033 210 T CA -1.402 60.700 62.100 0.003 0.000 0.991 210 T CB 1.920 70.797 68.868 0.014 0.000 0.981 210 T HN 0.112 nan 8.240 nan 0.000 0.457 211 P HA 0.152 nan 4.420 nan 0.000 0.268 211 P C -0.587 176.684 177.300 -0.047 0.000 1.204 211 P CA -0.312 62.781 63.100 -0.011 0.000 0.768 211 P CB 0.872 32.545 31.700 -0.045 0.000 0.842 212 Q N 1.705 121.501 119.800 -0.007 0.000 2.297 212 Q HA 0.323 4.713 4.340 0.082 0.000 0.268 212 Q C -0.387 175.629 176.000 0.026 0.000 1.045 212 Q CA -0.855 54.948 55.803 0.001 0.000 0.861 212 Q CB 1.140 29.901 28.738 0.037 0.000 1.344 212 Q HN 0.423 nan 8.270 nan 0.000 0.452 213 Y N 0.497 120.898 120.300 0.168 0.000 2.511 213 Y HA 0.167 4.774 4.550 0.095 0.000 0.332 213 Y C 0.739 176.743 175.900 0.174 0.000 1.177 213 Y CA 0.658 58.872 58.100 0.190 0.000 1.422 213 Y CB 0.961 39.571 38.460 0.249 0.000 1.271 213 Y HN 0.368 nan 8.280 nan 0.000 0.550 214 S N 2.488 118.383 115.700 0.325 0.000 2.543 214 S HA 0.691 5.210 4.470 0.082 0.000 0.271 214 S C -1.254 173.372 174.600 0.042 0.000 1.148 214 S CA -0.804 57.461 58.200 0.109 0.000 0.914 214 S CB 0.582 63.733 63.200 -0.083 0.000 1.096 214 S HN 0.590 nan 8.310 nan 0.000 0.471 215 V N 1.833 121.621 119.914 -0.210 0.000 3.046 215 V HA 0.838 5.007 4.120 0.082 0.000 0.316 215 V C -2.956 172.767 176.094 -0.617 0.000 1.104 215 V CA -2.929 58.993 62.300 -0.631 0.000 1.006 215 V CB 1.138 32.585 31.823 -0.626 0.000 1.058 215 V HN 0.637 nan 8.190 nan 0.000 0.440 216 P HA 0.136 nan 4.420 nan 0.000 0.268 216 P C 0.571 177.641 177.300 -0.383 0.000 1.205 216 P CA 0.205 62.966 63.100 -0.565 0.000 0.771 216 P CB 1.181 32.494 31.700 -0.645 0.000 0.858 217 V N 3.530 123.242 119.914 -0.336 0.000 2.788 217 V HA 0.096 4.265 4.120 0.082 0.000 0.251 217 V C 1.314 177.222 176.094 -0.311 0.000 1.068 217 V CA 1.667 63.716 62.300 -0.418 0.000 1.090 217 V CB -1.496 29.979 31.823 -0.580 0.000 0.710 217 V HN 0.916 nan 8.190 nan 0.000 0.467 218 G N 1.945 110.622 108.800 -0.206 0.000 2.338 218 G HA2 -0.325 3.684 3.960 0.082 0.000 0.296 218 G HA3 -0.325 3.684 3.960 0.082 0.000 0.296 218 G C 0.008 174.905 174.900 -0.006 0.000 1.040 218 G CA 0.675 45.714 45.100 -0.103 0.000 1.004 218 G HN 0.731 nan 8.290 nan 0.000 0.509 219 N N 0.132 118.813 118.700 -0.033 0.000 2.405 219 N HA 0.426 5.215 4.740 0.082 0.000 0.260 219 N C 0.586 176.136 175.510 0.067 0.000 1.152 219 N CA 0.062 53.172 53.050 0.100 0.000 0.948 219 N CB 0.232 38.738 38.487 0.031 0.000 1.111 219 N HN 0.580 nan 8.380 nan 0.000 0.485 220 R N 3.249 123.803 120.500 0.091 0.000 2.803 220 R HA 0.524 4.913 4.340 0.082 0.000 0.276 220 R C -2.439 173.898 176.300 0.061 0.000 0.978 220 R CA -2.012 54.117 56.100 0.049 0.000 0.939 220 R CB 1.495 31.808 30.300 0.022 0.000 1.179 220 R HN 0.433 nan 8.270 nan 0.000 0.472 221 P HA 0.025 nan 4.420 nan 0.000 0.269 221 P C -0.793 176.529 177.300 0.036 0.000 1.209 221 P CA -0.215 62.908 63.100 0.039 0.000 0.776 221 P CB 0.588 32.298 31.700 0.017 0.000 0.876 222 V N 2.490 122.427 119.914 0.038 0.000 2.612 222 V HA 0.350 4.519 4.120 0.082 0.000 0.301 222 V C 0.444 176.515 176.094 -0.039 0.000 1.046 222 V CA -0.742 61.565 62.300 0.012 0.000 0.946 222 V CB 1.342 33.184 31.823 0.032 0.000 1.003 222 V HN 0.418 nan 8.190 nan 0.000 0.459 223 N N 3.539 122.209 118.700 -0.051 0.000 2.445 223 N HA 0.379 5.168 4.740 0.082 0.000 0.264 223 N C -1.936 173.507 175.510 -0.112 0.000 1.227 223 N CA -1.729 51.280 53.050 -0.069 0.000 0.963 223 N CB 0.486 38.940 38.487 -0.055 0.000 1.188 223 N HN 0.333 nan 8.380 nan 0.000 0.491 224 P HA -0.049 nan 4.420 nan 0.000 0.225 224 P C 0.447 177.673 177.300 -0.123 0.000 1.156 224 P CA 1.028 64.043 63.100 -0.142 0.000 0.787 224 P CB 0.345 31.977 31.700 -0.113 0.000 0.802 225 E N 0.440 120.586 120.200 -0.090 0.000 2.106 225 E HA -0.158 4.241 4.350 0.082 0.000 0.192 225 E C 1.978 178.528 176.600 -0.083 0.000 0.984 225 E CA 1.059 57.414 56.400 -0.076 0.000 0.806 225 E CB -0.759 28.908 29.700 -0.055 0.000 0.750 225 E HN 0.470 nan 8.360 nan 0.000 0.458 226 Q N 0.375 120.123 119.800 -0.085 0.000 2.123 226 Q HA 0.030 4.419 4.340 0.082 0.000 0.199 226 Q C 2.444 178.380 176.000 -0.106 0.000 0.966 226 Q CA 0.771 56.525 55.803 -0.081 0.000 0.845 226 Q CB -0.087 28.616 28.738 -0.057 0.000 0.907 226 Q HN 0.285 nan 8.270 nan 0.000 0.439 227 I N 0.866 121.344 120.570 -0.153 0.000 2.286 227 I HA -0.255 3.964 4.170 0.082 0.000 0.248 227 I C 2.430 178.443 176.117 -0.173 0.000 1.115 227 I CA 0.825 61.995 61.300 -0.218 0.000 1.392 227 I CB -0.461 37.246 38.000 -0.488 0.000 1.065 227 I HN 0.148 nan 8.210 nan 0.000 0.418 228 A N 0.865 123.599 122.820 -0.142 0.000 1.908 228 A HA -0.241 4.129 4.320 0.082 0.000 0.218 228 A C 2.197 179.727 177.584 -0.090 0.000 1.181 228 A CA 1.819 53.796 52.037 -0.100 0.000 0.627 228 A CB -0.575 18.377 19.000 -0.080 0.000 0.818 228 A HN 0.472 nan 8.150 nan 0.000 0.445 229 E N -0.219 119.923 120.200 -0.097 0.000 2.038 229 E HA -0.181 4.218 4.350 0.082 0.000 0.195 229 E C 1.939 178.455 176.600 -0.140 0.000 1.000 229 E CA 1.281 57.623 56.400 -0.097 0.000 0.803 229 E CB -0.316 29.329 29.700 -0.092 0.000 0.750 229 E HN 0.542 nan 8.360 nan 0.000 0.448 230 I N 1.580 122.027 120.570 -0.204 0.000 2.118 230 I HA -0.292 3.927 4.170 0.082 0.000 0.241 230 I C 2.166 178.038 176.117 -0.409 0.000 1.070 230 I CA 1.664 62.750 61.300 -0.356 0.000 1.327 230 I CB -0.907 36.847 38.000 -0.409 0.000 1.034 230 I HN 0.102 nan 8.210 nan 0.000 0.405 231 K N 0.667 120.915 120.400 -0.254 0.000 2.148 231 K HA -0.050 4.319 4.320 0.082 0.000 0.204 231 K C 2.082 178.709 176.600 0.045 0.000 1.050 231 K CA 1.303 57.552 56.287 -0.063 0.000 0.942 231 K CB -0.173 32.359 32.500 0.054 0.000 0.724 231 K HN 0.301 nan 8.250 nan 0.000 0.446 232 A N 0.934 123.748 122.820 -0.010 0.000 2.172 232 A HA -0.143 4.227 4.320 0.082 0.000 0.216 232 A C 1.234 178.837 177.584 0.032 0.000 1.154 232 A CA 1.553 53.601 52.037 0.018 0.000 0.701 232 A CB -0.025 18.971 19.000 -0.007 0.000 0.789 232 A HN 0.200 nan 8.150 nan 0.000 0.465 233 D N -3.117 117.287 120.400 0.007 0.000 2.513 233 D HA 0.159 4.848 4.640 0.082 0.000 0.222 233 D C 0.838 177.197 176.300 0.099 0.000 1.210 233 D CA -0.315 53.701 54.000 0.026 0.000 0.825 233 D CB -0.076 40.706 40.800 -0.030 0.000 1.037 233 D HN 0.241 nan 8.370 nan 0.000 0.506 234 Y N 1.191 121.538 120.300 0.080 0.000 2.151 234 Y HA -0.205 4.394 4.550 0.082 0.000 0.284 234 Y C 1.720 177.739 175.900 0.197 0.000 1.166 234 Y CA 1.397 59.580 58.100 0.138 0.000 1.163 234 Y CB -0.219 38.373 38.460 0.221 0.000 0.974 234 Y HN 0.106 nan 8.280 nan 0.000 0.511 235 D N -0.725 119.878 120.400 0.338 0.000 2.104 235 D HA -0.197 4.492 4.640 0.082 0.000 0.194 235 D C 2.372 178.796 176.300 0.206 0.000 0.994 235 D CA 1.360 55.511 54.000 0.252 0.000 0.830 235 D CB -0.371 40.527 40.800 0.164 0.000 0.959 235 D HN 0.277 nan 8.370 nan 0.000 0.452 236 R N 0.360 120.946 120.500 0.144 0.000 2.075 236 R HA -0.052 4.337 4.340 0.082 0.000 0.232 236 R C 2.561 178.905 176.300 0.073 0.000 1.126 236 R CA 0.649 56.803 56.100 0.091 0.000 0.963 236 R CB -0.244 30.088 30.300 0.054 0.000 0.858 236 R HN 0.153 nan 8.270 nan 0.000 0.435 237 I N -0.656 119.950 120.570 0.059 0.000 2.118 237 I HA -0.339 3.881 4.170 0.082 0.000 0.241 237 I C 1.857 177.909 176.117 -0.107 0.000 1.070 237 I CA 1.732 63.001 61.300 -0.051 0.000 1.327 237 I CB -0.383 37.565 38.000 -0.087 0.000 1.034 237 I HN 0.362 nan 8.210 nan 0.000 0.405 238 W N 0.906 122.267 121.300 0.102 0.000 2.402 238 W HA -0.144 4.565 4.660 0.081 0.000 0.286 238 W C 2.589 179.114 176.519 0.011 0.000 1.221 238 W CA 0.836 58.201 57.345 0.032 0.000 1.257 238 W CB -0.169 29.298 29.460 0.013 0.000 1.120 238 W HN 0.164 nan 8.180 nan 0.000 0.551 239 E N 0.761 121.097 120.200 0.226 0.000 2.077 239 E HA -0.239 4.161 4.350 0.082 0.000 0.193 239 E C 2.151 178.798 176.600 0.079 0.000 0.989 239 E CA 1.347 57.828 56.400 0.134 0.000 0.800 239 E CB -0.053 29.708 29.700 0.102 0.000 0.746 239 E HN 0.273 nan 8.360 nan 0.000 0.452 240 R N -0.024 120.500 120.500 0.039 0.000 2.066 240 R HA -0.094 4.295 4.340 0.082 0.000 0.232 240 R C 2.490 178.768 176.300 -0.037 0.000 1.131 240 R CA 1.114 57.208 56.100 -0.010 0.000 0.955 240 R CB -0.376 29.900 30.300 -0.040 0.000 0.851 240 R HN 0.168 nan 8.270 nan 0.000 0.432 241 A N 1.662 124.447 122.820 -0.059 0.000 1.892 241 A HA -0.236 4.133 4.320 0.082 0.000 0.218 241 A C 1.913 179.490 177.584 -0.012 0.000 1.188 241 A CA 1.700 53.681 52.037 -0.093 0.000 0.631 241 A CB -0.356 18.554 19.000 -0.150 0.000 0.822 241 A HN 0.230 nan 8.150 nan 0.000 0.447 242 K N -0.505 119.943 120.400 0.079 0.000 2.365 242 K HA 0.001 4.371 4.320 0.082 0.000 0.199 242 K C 0.736 177.366 176.600 0.050 0.000 1.045 242 K CA 0.808 57.144 56.287 0.082 0.000 0.962 242 K CB -0.021 32.550 32.500 0.118 0.000 0.759 242 K HN 0.352 nan 8.250 nan 0.000 0.469 243 N N 0.768 119.486 118.700 0.030 0.000 2.270 243 N HA -0.010 4.780 4.740 0.082 0.000 0.198 243 N C -0.080 175.428 175.510 -0.004 0.000 1.117 243 N CA 0.155 53.217 53.050 0.020 0.000 0.845 243 N CB 0.636 39.136 38.487 0.022 0.000 0.980 243 N HN 0.134 nan 8.380 nan 0.000 0.486 244 S N -1.188 114.493 115.700 -0.032 0.000 2.747 244 S HA 0.693 5.213 4.470 0.082 0.000 0.300 244 S C 1.225 175.789 174.600 -0.061 0.000 1.121 244 S CA -0.390 57.769 58.200 -0.068 0.000 0.995 244 S CB 2.003 65.119 63.200 -0.140 0.000 1.113 244 S HN 0.018 nan 8.310 nan 0.000 0.547 245 A N 0.256 123.024 122.820 -0.086 0.000 1.898 245 A HA 0.158 4.528 4.320 0.082 0.000 0.214 245 A C 1.908 179.417 177.584 -0.126 0.000 1.183 245 A CA 1.526 53.511 52.037 -0.087 0.000 0.622 245 A CB -1.103 17.825 19.000 -0.119 0.000 0.824 245 A HN 1.556 nan 8.150 nan 0.000 0.444 246 V N -5.782 114.027 119.914 -0.174 0.000 3.604 246 V HA 0.634 4.804 4.120 0.082 0.000 0.277 246 V C 1.162 177.094 176.094 -0.270 0.000 1.399 246 V CA 0.595 62.797 62.300 -0.164 0.000 1.034 246 V CB -0.635 31.156 31.823 -0.054 0.000 0.824 246 V HN 1.829 nan 8.190 nan 0.000 0.439 247 A N 0.108 122.748 122.820 -0.301 0.000 2.914 247 A HA -0.230 4.140 4.320 0.082 0.000 0.280 247 A C 0.410 177.648 177.584 -0.576 0.000 1.447 247 A CA 1.577 53.385 52.037 -0.382 0.000 0.759 247 A CB -2.742 16.069 19.000 -0.316 0.000 1.034 247 A HN 0.790 nan 8.150 nan 0.000 0.529 248 F N -0.810 118.843 119.950 -0.495 0.000 2.678 248 F HA 0.445 5.022 4.527 0.083 0.000 0.305 248 F C 1.829 177.443 175.800 -0.310 0.000 1.090 248 F CA 1.007 58.776 58.000 -0.386 0.000 1.272 248 F CB 0.962 39.837 39.000 -0.208 0.000 1.060 248 F HN 1.146 nan 8.300 nan 0.000 0.576 249 G N 0.753 109.394 108.800 -0.266 0.000 2.141 249 G HA2 -0.281 3.728 3.960 0.082 0.000 0.231 249 G HA3 -0.281 3.728 3.960 0.082 0.000 0.231 249 G C 0.022 174.924 174.900 0.003 0.000 0.984 249 G CA 0.120 45.138 45.100 -0.137 0.000 0.660 249 G HN 0.319 nan 8.290 nan 0.000 0.525 250 F N -0.617 119.350 119.950 0.027 0.000 2.579 250 F HA 0.856 5.432 4.527 0.082 0.000 0.324 250 F C 0.034 175.835 175.800 0.002 0.000 1.058 250 F CA -2.323 55.679 58.000 0.003 0.000 0.944 250 F CB 1.189 40.191 39.000 0.003 0.000 1.245 250 F HN 0.065 nan 8.300 nan 0.000 0.477 251 E N 1.294 121.618 120.200 0.206 0.000 2.257 251 E HA 0.093 4.492 4.350 0.082 0.000 0.278 251 E C -0.881 175.875 176.600 0.260 0.000 1.049 251 E CA -0.231 56.238 56.400 0.114 0.000 0.876 251 E CB 0.504 30.245 29.700 0.068 0.000 1.035 251 E HN 0.674 nan 8.360 nan 0.000 0.419 252 E N 2.136 122.421 120.200 0.142 0.000 2.366 252 E HA 0.017 4.417 4.350 0.082 0.000 0.266 252 E C -0.526 176.165 176.600 0.151 0.000 1.015 252 E CA -0.009 56.527 56.400 0.226 0.000 0.906 252 E CB 1.123 30.883 29.700 0.100 0.000 0.979 252 E HN 0.280 nan 8.360 nan 0.000 0.443 253 S N 1.741 117.534 115.700 0.155 0.000 2.565 253 S HA 0.078 4.597 4.470 0.082 0.000 0.276 253 S C 0.866 175.509 174.600 0.073 0.000 1.326 253 S CA -0.227 58.007 58.200 0.056 0.000 1.045 253 S CB 0.616 63.793 63.200 -0.039 0.000 0.918 253 S HN 0.640 nan 8.310 nan 0.000 0.505 254 T N 3.092 117.672 114.554 0.044 0.000 3.092 254 T HA 0.274 4.673 4.350 0.082 0.000 0.258 254 T C 0.480 175.213 174.700 0.056 0.000 1.031 254 T CA -0.367 61.765 62.100 0.052 0.000 0.925 254 T CB -0.212 68.678 68.868 0.037 0.000 1.036 254 T HN 0.517 nan 8.240 nan 0.000 0.544 255 L N 3.238 124.496 121.223 0.058 0.000 2.315 255 L HA 0.393 4.782 4.340 0.082 0.000 0.283 255 L C -2.604 174.378 176.870 0.186 0.000 1.089 255 L CA -2.340 52.556 54.840 0.093 0.000 0.833 255 L CB 1.152 43.238 42.059 0.045 0.000 1.170 255 L HN 0.001 nan 8.230 nan 0.000 0.442 256 P HA 0.056 nan 4.420 nan 0.000 0.271 256 P C 0.151 177.455 177.300 0.007 0.000 1.226 256 P CA -0.094 63.043 63.100 0.062 0.000 0.765 256 P CB 1.149 32.859 31.700 0.018 0.000 0.835 257 A N 4.231 126.921 122.820 -0.216 0.000 2.024 257 A HA -0.172 4.197 4.320 0.082 0.000 0.220 257 A C 1.511 178.796 177.584 -0.498 0.000 1.164 257 A CA 1.669 53.176 52.037 -0.883 0.000 0.643 257 A CB -0.910 17.424 19.000 -1.110 0.000 0.806 257 A HN 0.439 nan 8.150 nan 0.000 0.451 258 M N 0.124 119.580 119.600 -0.239 0.000 2.428 258 M HA 0.063 4.592 4.480 0.082 0.000 0.239 258 M C 1.664 177.915 176.300 -0.082 0.000 1.121 258 M CA 1.073 56.284 55.300 -0.148 0.000 1.019 258 M CB -0.818 31.719 32.600 -0.104 0.000 1.485 258 M HN 0.544 nan 8.290 nan 0.000 0.484 259 S N -0.107 115.559 115.700 -0.057 0.000 2.593 259 S HA 0.205 4.725 4.470 0.082 0.000 0.217 259 S C 0.664 175.261 174.600 -0.005 0.000 0.966 259 S CA -0.317 57.873 58.200 -0.018 0.000 0.914 259 S CB -0.847 62.354 63.200 0.002 0.000 0.776 259 S HN 0.286 nan 8.310 nan 0.000 0.523 260 V N -0.727 119.182 119.914 -0.009 0.000 3.113 260 V HA 0.830 4.999 4.120 0.082 0.000 0.316 260 V C 0.192 176.280 176.094 -0.011 0.000 1.125 260 V CA -0.787 61.517 62.300 0.007 0.000 1.026 260 V CB 1.221 33.073 31.823 0.048 0.000 1.080 260 V HN 0.351 nan 8.190 nan 0.000 0.444 261 S N -0.199 115.501 115.700 0.000 0.000 2.580 261 S HA 0.118 4.637 4.470 0.082 0.000 0.266 261 S C 0.994 175.596 174.600 0.003 0.000 1.354 261 S CA 0.722 58.922 58.200 -0.000 0.000 1.008 261 S CB 0.594 63.798 63.200 0.006 0.000 0.898 261 S HN 1.072 nan 8.310 nan 0.000 0.555 262 E N 0.948 121.152 120.200 0.007 0.000 2.085 262 E HA -0.253 4.147 4.350 0.082 0.000 0.194 262 E C 1.531 178.160 176.600 0.048 0.000 0.994 262 E CA 1.800 58.214 56.400 0.024 0.000 0.801 262 E CB -0.227 29.486 29.700 0.022 0.000 0.743 262 E HN 0.848 nan 8.360 nan 0.000 0.453 263 E N 0.394 120.618 120.200 0.039 0.000 2.106 263 E HA -0.196 4.203 4.350 0.082 0.000 0.192 263 E C 1.898 178.528 176.600 0.050 0.000 0.984 263 E CA 1.313 57.742 56.400 0.047 0.000 0.806 263 E CB -0.075 29.644 29.700 0.032 0.000 0.750 263 E HN 0.212 nan 8.360 nan 0.000 0.458 264 E N 0.968 121.189 120.200 0.036 0.000 2.107 264 E HA -0.101 4.299 4.350 0.082 0.000 0.191 264 E C 1.971 178.596 176.600 0.040 0.000 0.982 264 E CA 0.998 57.415 56.400 0.028 0.000 0.809 264 E CB 0.024 29.737 29.700 0.021 0.000 0.756 264 E HN 0.110 nan 8.360 nan 0.000 0.459 265 R N 0.138 120.674 120.500 0.060 0.000 2.083 265 R HA -0.201 4.188 4.340 0.082 0.000 0.237 265 R C 2.203 178.542 176.300 0.066 0.000 1.137 265 R CA 1.891 58.030 56.100 0.064 0.000 0.951 265 R CB -0.446 29.839 30.300 -0.026 0.000 0.851 265 R HN 0.210 nan 8.270 nan 0.000 0.434 266 N N 0.278 119.086 118.700 0.181 0.000 2.069 266 N HA -0.224 4.566 4.740 0.082 0.000 0.191 266 N C 1.922 177.543 175.510 0.185 0.000 1.031 266 N CA 1.656 54.883 53.050 0.294 0.000 0.852 266 N CB -0.117 38.533 38.487 0.271 0.000 1.018 266 N HN 0.137 nan 8.380 nan 0.000 0.423 267 R N 0.271 120.830 120.500 0.099 0.000 2.083 267 R HA -0.102 4.287 4.340 0.082 0.000 0.237 267 R C 1.985 178.276 176.300 -0.014 0.000 1.137 267 R CA 1.478 57.612 56.100 0.057 0.000 0.951 267 R CB -0.330 29.988 30.300 0.031 0.000 0.851 267 R HN 0.332 nan 8.270 nan 0.000 0.434 268 I N 0.260 120.759 120.570 -0.118 0.000 2.127 268 I HA -0.318 3.901 4.170 0.082 0.000 0.241 268 I C 2.256 178.184 176.117 -0.316 0.000 1.075 268 I CA 1.688 62.804 61.300 -0.306 0.000 1.334 268 I CB -1.040 36.610 38.000 -0.582 0.000 1.040 268 I HN 0.194 nan 8.210 nan 0.000 0.405 269 F N 0.868 120.641 119.950 -0.295 0.000 2.102 269 F HA -0.290 4.289 4.527 0.086 0.000 0.298 269 F C 2.900 178.513 175.800 -0.311 0.000 1.105 269 F CA 1.357 59.008 58.000 -0.582 0.000 1.239 269 F CB -0.354 37.880 39.000 -1.277 0.000 0.991 269 F HN 0.099 nan 8.300 nan 0.000 0.474 270 Q N 0.940 120.787 119.800 0.080 0.000 2.084 270 Q HA -0.241 4.148 4.340 0.082 0.000 0.202 270 Q C 1.964 178.150 176.000 0.309 0.000 0.978 270 Q CA 1.937 57.952 55.803 0.354 0.000 0.844 270 Q CB -0.390 28.541 28.738 0.321 0.000 0.898 270 Q HN 0.503 nan 8.270 nan 0.000 0.426 271 E N -1.001 119.297 120.200 0.164 0.000 2.058 271 E HA -0.228 4.171 4.350 0.082 0.000 0.194 271 E C 1.737 178.445 176.600 0.181 0.000 0.997 271 E CA 1.225 57.704 56.400 0.132 0.000 0.801 271 E CB -0.278 29.437 29.700 0.025 0.000 0.746 271 E HN 0.441 nan 8.360 nan 0.000 0.450 272 A N 1.520 124.430 122.820 0.149 0.000 1.933 272 A HA -0.189 4.181 4.320 0.082 0.000 0.218 272 A C 2.030 179.847 177.584 0.388 0.000 1.175 272 A CA 1.210 53.364 52.037 0.195 0.000 0.628 272 A CB -1.187 17.865 19.000 0.088 0.000 0.814 272 A HN 0.723 nan 8.150 nan 0.000 0.444 273 W N 1.246 122.740 121.300 0.323 0.000 2.355 273 W HA -0.176 4.530 4.660 0.076 0.000 0.309 273 W C 1.015 177.651 176.519 0.195 0.000 1.206 273 W CA 2.166 59.683 57.345 0.286 0.000 1.284 273 W CB -0.334 29.361 29.460 0.391 0.000 1.145 273 W HN 0.411 nan 8.180 nan 0.000 0.502 274 D N -1.457 119.189 120.400 0.410 0.000 2.144 274 D HA -0.176 4.513 4.640 0.082 0.000 0.200 274 D C 1.808 178.195 176.300 0.146 0.000 0.978 274 D CA 1.793 55.947 54.000 0.256 0.000 0.833 274 D CB -0.763 40.181 40.800 0.241 0.000 0.961 274 D HN 0.348 nan 8.370 nan 0.000 0.470 275 H N -0.079 119.048 119.070 0.096 0.000 2.357 275 H HA 0.121 4.726 4.556 0.082 0.000 0.301 275 H C 0.740 176.092 175.328 0.040 0.000 1.082 275 H CA 1.643 57.729 56.048 0.064 0.000 1.342 275 H CB 0.012 29.809 29.762 0.058 0.000 1.389 275 H HN 0.194 nan 8.280 nan 0.000 0.511 276 G N -1.874 107.003 108.800 0.127 0.000 2.675 276 G HA2 0.374 4.383 3.960 0.082 0.000 0.686 276 G HA3 0.374 4.383 3.960 0.082 0.000 0.686 276 G C -0.146 174.855 174.900 0.167 0.000 1.215 276 G CA -0.306 44.808 45.100 0.024 0.000 0.777 276 G HN 1.232 nan 8.290 nan 0.000 0.638 277 G N -1.022 107.806 108.800 0.047 0.000 3.101 277 G HA2 0.540 4.549 3.960 0.082 0.000 0.672 277 G HA3 0.540 4.549 3.960 0.082 0.000 0.672 277 G C 1.058 176.000 174.900 0.071 0.000 1.331 277 G CA 0.814 45.985 45.100 0.118 0.000 0.925 277 G HN 2.221 nan 8.290 nan 0.000 0.596 278 G N 0.345 109.183 108.800 0.063 0.000 2.404 278 G HA2 0.128 4.137 3.960 0.082 0.000 0.214 278 G HA3 0.128 4.137 3.960 0.082 0.000 0.214 278 G C 1.541 176.446 174.900 0.009 0.000 1.189 278 G CA 1.451 46.575 45.100 0.040 0.000 0.789 278 G HN 0.555 nan 8.290 nan 0.000 0.533 279 F N 0.775 120.650 119.950 -0.125 0.000 2.186 279 F HA 0.072 4.649 4.527 0.083 0.000 0.299 279 F C 2.756 178.481 175.800 -0.126 0.000 1.090 279 F CA 1.333 59.300 58.000 -0.054 0.000 1.307 279 F CB -0.018 38.767 39.000 -0.358 0.000 1.019 279 F HN 0.007 nan 8.300 nan 0.000 0.489 280 R N -0.153 120.158 120.500 -0.314 0.000 2.091 280 R HA -0.245 4.144 4.340 0.082 0.000 0.238 280 R C 2.273 178.324 176.300 -0.414 0.000 1.136 280 R CA 1.817 57.310 56.100 -1.011 0.000 0.959 280 R CB -0.773 29.142 30.300 -0.641 0.000 0.856 280 R HN 0.312 nan 8.270 nan 0.000 0.437 281 F N 0.734 120.561 119.950 -0.205 0.000 2.186 281 F HA -0.126 4.453 4.527 0.087 0.000 0.299 281 F C 2.329 178.134 175.800 0.010 0.000 1.090 281 F CA 1.740 59.720 58.000 -0.034 0.000 1.307 281 F CB -0.050 39.000 39.000 0.083 0.000 1.019 281 F HN 0.022 nan 8.300 nan 0.000 0.489 282 M N -1.977 117.608 119.600 -0.026 0.000 2.388 282 M HA -0.020 4.509 4.480 0.082 0.000 0.265 282 M C 0.629 176.561 176.300 -0.613 0.000 1.088 282 M CA 1.678 56.754 55.300 -0.374 0.000 1.134 282 M CB 0.021 32.089 32.600 -0.887 0.000 1.384 282 M HN 0.176 nan 8.290 nan 0.000 0.447 283 F N -2.523 117.438 119.950 0.020 0.000 2.831 283 F HA 0.368 4.945 4.527 0.083 0.000 0.334 283 F C 1.837 177.712 175.800 0.125 0.000 1.071 283 F CA -0.062 58.021 58.000 0.138 0.000 1.172 283 F CB 0.334 39.545 39.000 0.351 0.000 1.054 283 F HN 0.115 nan 8.300 nan 0.000 0.572 284 G N -0.075 108.695 108.800 -0.049 0.000 2.796 284 G HA2 -0.010 3.999 3.960 0.082 0.000 0.210 284 G HA3 -0.010 3.999 3.960 0.082 0.000 0.210 284 G C 1.507 176.242 174.900 -0.275 0.000 1.146 284 G CA 1.068 46.060 45.100 -0.180 0.000 0.779 284 G HN 0.300 nan 8.290 nan 0.000 0.535 285 T N -1.371 112.952 114.554 -0.386 0.000 2.837 285 T HA 0.355 4.754 4.350 0.082 0.000 0.248 285 T C 0.475 174.567 174.700 -1.013 0.000 1.033 285 T CA 0.266 61.923 62.100 -0.738 0.000 1.150 285 T CB 0.011 68.415 68.868 -0.773 0.000 0.865 285 T HN -0.048 nan 8.240 nan 0.000 0.425 286 F N -0.165 119.658 119.950 -0.211 0.000 2.613 286 F HA 0.702 5.277 4.527 0.081 0.000 0.314 286 F C 1.267 177.050 175.800 -0.028 0.000 1.075 286 F CA -1.183 56.731 58.000 -0.143 0.000 0.945 286 F CB 1.555 40.441 39.000 -0.191 0.000 1.310 286 F HN 0.122 nan 8.300 nan 0.000 0.467 287 G N -0.572 108.347 108.800 0.198 0.000 2.880 287 G HA2 0.028 4.038 3.960 0.082 0.000 0.209 287 G HA3 0.028 4.038 3.960 0.082 0.000 0.209 287 G C 0.178 175.169 174.900 0.153 0.000 1.157 287 G CA 0.493 45.690 45.100 0.162 0.000 0.779 287 G HN 0.617 nan 8.290 nan 0.000 0.539 288 D N -0.483 119.996 120.400 0.130 0.000 2.582 288 D HA 0.098 4.788 4.640 0.082 0.000 0.246 288 D C 1.632 177.958 176.300 0.044 0.000 1.334 288 D CA -0.510 53.534 54.000 0.074 0.000 0.805 288 D CB -0.581 40.241 40.800 0.037 0.000 1.087 288 D HN 0.289 nan 8.370 nan 0.000 0.499 289 I N 0.897 121.499 120.570 0.053 0.000 2.335 289 I HA -0.209 4.010 4.170 0.082 0.000 0.251 289 I C 2.204 178.296 176.117 -0.042 0.000 1.129 289 I CA 1.620 62.930 61.300 0.017 0.000 1.402 289 I CB 0.013 38.028 38.000 0.025 0.000 1.069 289 I HN 0.140 nan 8.210 nan 0.000 0.424 290 A N -0.842 121.951 122.820 -0.046 0.000 2.238 290 A HA 0.032 4.401 4.320 0.082 0.000 0.210 290 A C 2.020 179.568 177.584 -0.060 0.000 1.179 290 A CA 0.976 52.973 52.037 -0.067 0.000 0.827 290 A CB -0.257 18.755 19.000 0.019 0.000 0.856 290 A HN 0.333 nan 8.150 nan 0.000 0.488 291 T N -1.160 113.380 114.554 -0.024 0.000 2.964 291 T HA 0.143 4.543 4.350 0.082 0.000 0.249 291 T C -0.247 174.440 174.700 -0.021 0.000 1.000 291 T CA 0.304 62.386 62.100 -0.029 0.000 0.992 291 T CB 0.121 68.986 68.868 -0.005 0.000 1.087 291 T HN 0.488 nan 8.240 nan 0.000 0.489 292 D N 0.878 121.270 120.400 -0.014 0.000 2.391 292 D HA 0.274 4.964 4.640 0.082 0.000 0.245 292 D C 1.057 177.349 176.300 -0.013 0.000 1.069 292 D CA -0.343 53.649 54.000 -0.014 0.000 0.831 292 D CB 1.246 42.035 40.800 -0.018 0.000 1.204 292 D HN -0.218 nan 8.370 nan 0.000 0.503 293 E N 2.492 122.687 120.200 -0.008 0.000 2.085 293 E HA -0.210 4.190 4.350 0.082 0.000 0.194 293 E C 1.734 178.330 176.600 -0.007 0.000 0.994 293 E CA 1.155 57.554 56.400 -0.002 0.000 0.801 293 E CB -0.158 29.545 29.700 0.005 0.000 0.743 293 E HN 0.614 nan 8.360 nan 0.000 0.453 294 A N 1.480 124.289 122.820 -0.017 0.000 1.898 294 A HA -0.056 4.313 4.320 0.082 0.000 0.216 294 A C 2.443 180.004 177.584 -0.039 0.000 1.181 294 A CA 1.924 53.944 52.037 -0.027 0.000 0.620 294 A CB -0.564 18.414 19.000 -0.037 0.000 0.819 294 A HN 0.272 nan 8.150 nan 0.000 0.442 295 A N 0.168 122.957 122.820 -0.052 0.000 1.908 295 A HA -0.240 4.130 4.320 0.082 0.000 0.218 295 A C 2.106 179.696 177.584 0.009 0.000 1.181 295 A CA 1.821 53.819 52.037 -0.065 0.000 0.627 295 A CB -0.749 18.211 19.000 -0.068 0.000 0.818 295 A HN 0.636 nan 8.150 nan 0.000 0.445 296 N N -0.431 118.278 118.700 0.014 0.000 2.084 296 N HA -0.213 4.577 4.740 0.082 0.000 0.190 296 N C 1.844 177.361 175.510 0.013 0.000 1.030 296 N CA 1.779 54.853 53.050 0.040 0.000 0.849 296 N CB -0.143 38.356 38.487 0.021 0.000 1.012 296 N HN 0.528 nan 8.380 nan 0.000 0.423 297 E N 0.948 121.147 120.200 -0.001 0.000 2.085 297 E HA -0.112 4.287 4.350 0.082 0.000 0.194 297 E C 1.795 178.377 176.600 -0.029 0.000 0.994 297 E CA 1.620 58.013 56.400 -0.012 0.000 0.801 297 E CB -0.469 29.229 29.700 -0.004 0.000 0.743 297 E HN 0.397 nan 8.360 nan 0.000 0.453 298 A N 0.801 123.616 122.820 -0.008 0.000 1.883 298 A HA -0.093 4.277 4.320 0.082 0.000 0.217 298 A C 2.476 179.965 177.584 -0.158 0.000 1.186 298 A CA 2.396 54.448 52.037 0.025 0.000 0.624 298 A CB -1.181 17.888 19.000 0.114 0.000 0.822 298 A HN 0.425 nan 8.150 nan 0.000 0.444 299 A N -0.183 122.528 122.820 -0.182 0.000 1.858 299 A HA 0.163 4.533 4.320 0.082 0.000 0.216 299 A C 2.568 179.901 177.584 -0.417 0.000 1.190 299 A CA 2.307 54.055 52.037 -0.482 0.000 0.617 299 A CB -1.235 17.750 19.000 -0.025 0.000 0.827 299 A HN 1.132 nan 8.150 nan 0.000 0.443 300 A N 0.382 122.997 122.820 -0.342 0.000 1.873 300 A HA -0.179 4.190 4.320 0.082 0.000 0.218 300 A C 2.564 180.084 177.584 -0.106 0.000 1.193 300 A CA 2.925 54.743 52.037 -0.365 0.000 0.629 300 A CB -1.166 17.705 19.000 -0.215 0.000 0.826 300 A HN 1.103 nan 8.150 nan 0.000 0.447 301 S N -1.534 114.114 115.700 -0.085 0.000 2.402 301 S HA -0.132 4.387 4.470 0.082 0.000 0.229 301 S C 1.822 176.349 174.600 -0.121 0.000 1.021 301 S CA 1.242 59.401 58.200 -0.069 0.000 0.974 301 S CB -0.764 62.407 63.200 -0.049 0.000 0.800 301 S HN 0.516 nan 8.310 nan 0.000 0.484 302 F N 2.434 122.204 119.950 -0.301 0.000 2.095 302 F HA -0.029 4.547 4.527 0.081 0.000 0.298 302 F C 1.933 177.503 175.800 -0.383 0.000 1.104 302 F CA 1.568 59.357 58.000 -0.350 0.000 1.232 302 F CB -0.299 38.383 39.000 -0.530 0.000 0.987 302 F HN 0.155 nan 8.300 nan 0.000 0.475 303 I N -0.064 120.419 120.570 -0.144 0.000 2.202 303 I HA -0.286 3.934 4.170 0.082 0.000 0.242 303 I C 2.536 178.498 176.117 -0.258 0.000 1.091 303 I CA 1.274 62.462 61.300 -0.187 0.000 1.368 303 I CB -0.569 37.410 38.000 -0.035 0.000 1.058 303 I HN 0.053 nan 8.210 nan 0.000 0.410 304 R N 0.835 121.234 120.500 -0.168 0.000 2.091 304 R HA -0.185 4.204 4.340 0.082 0.000 0.238 304 R C 2.456 178.573 176.300 -0.304 0.000 1.136 304 R CA 1.664 57.638 56.100 -0.210 0.000 0.959 304 R CB -0.528 29.702 30.300 -0.117 0.000 0.856 304 R HN 0.396 nan 8.270 nan 0.000 0.437 305 A N 1.279 123.886 122.820 -0.356 0.000 1.933 305 A HA -0.155 4.214 4.320 0.082 0.000 0.218 305 A C 1.893 179.185 177.584 -0.488 0.000 1.175 305 A CA 1.226 53.023 52.037 -0.399 0.000 0.628 305 A CB -0.187 18.554 19.000 -0.431 0.000 0.814 305 A HN 0.066 nan 8.150 nan 0.000 0.444 306 K N -0.186 119.820 120.400 -0.657 0.000 2.057 306 K HA -0.062 4.307 4.320 0.082 0.000 0.207 306 K C 2.020 178.362 176.600 -0.430 0.000 1.049 306 K CA 1.337 57.226 56.287 -0.664 0.000 0.931 306 K CB -0.843 31.013 32.500 -1.074 0.000 0.714 306 K HN 0.366 nan 8.250 nan 0.000 0.440 307 V N 1.606 121.224 119.914 -0.493 0.000 2.287 307 V HA -0.251 3.918 4.120 0.082 0.000 0.248 307 V C 2.491 178.367 176.094 -0.365 0.000 1.053 307 V CA 2.058 64.001 62.300 -0.595 0.000 1.027 307 V CB -0.864 30.527 31.823 -0.720 0.000 0.646 307 V HN 0.288 nan 8.190 nan 0.000 0.447 308 A N -0.347 122.288 122.820 -0.307 0.000 1.972 308 A HA -0.262 4.108 4.320 0.082 0.000 0.219 308 A C 2.326 179.797 177.584 -0.189 0.000 1.169 308 A CA 1.949 53.851 52.037 -0.224 0.000 0.635 308 A CB -0.439 18.437 19.000 -0.206 0.000 0.810 308 A HN 0.690 nan 8.150 nan 0.000 0.446 309 E N -0.245 119.827 120.200 -0.213 0.000 2.076 309 E HA -0.099 4.300 4.350 0.082 0.000 0.190 309 E C 1.842 178.372 176.600 -0.116 0.000 0.979 309 E CA 0.943 57.242 56.400 -0.168 0.000 0.807 309 E CB -0.191 29.383 29.700 -0.209 0.000 0.761 309 E HN 0.632 nan 8.360 nan 0.000 0.454 310 I N 1.245 121.748 120.570 -0.111 0.000 2.233 310 I HA -0.119 4.101 4.170 0.082 0.000 0.243 310 I C 1.100 177.201 176.117 -0.027 0.000 1.093 310 I CA 0.628 61.909 61.300 -0.031 0.000 1.380 310 I CB 0.085 38.115 38.000 0.051 0.000 1.067 310 I HN 0.065 nan 8.210 nan 0.000 0.413 311 I N 1.403 121.936 120.570 -0.063 0.000 2.379 311 I HA 0.008 4.227 4.170 0.082 0.000 0.290 311 I C 1.190 177.271 176.117 -0.060 0.000 1.063 311 I CA 0.152 61.423 61.300 -0.049 0.000 1.351 311 I CB 0.927 38.879 38.000 -0.079 0.000 1.410 311 I HN 0.184 nan 8.210 nan 0.000 0.505 312 E N 3.205 123.382 120.200 -0.038 0.000 2.015 312 E HA -0.164 4.235 4.350 0.082 0.000 0.191 312 E C 0.552 177.125 176.600 -0.045 0.000 0.991 312 E CA 0.877 57.253 56.400 -0.040 0.000 0.802 312 E CB 0.122 29.806 29.700 -0.027 0.000 0.759 312 E HN 0.574 nan 8.360 nan 0.000 0.447 313 D N 0.372 120.749 120.400 -0.039 0.000 2.358 313 D HA -0.006 4.683 4.640 0.082 0.000 0.258 313 D C -1.913 174.352 176.300 -0.059 0.000 1.223 313 D CA -1.762 52.213 54.000 -0.041 0.000 0.886 313 D CB 1.235 42.017 40.800 -0.030 0.000 1.120 313 D HN -0.131 nan 8.370 nan 0.000 0.482 314 P HA -0.081 nan 4.420 nan 0.000 0.226 314 P C 0.865 178.122 177.300 -0.072 0.000 1.153 314 P CA 0.607 63.665 63.100 -0.071 0.000 0.777 314 P CB 0.496 32.159 31.700 -0.062 0.000 0.794 315 E N -0.583 119.581 120.200 -0.061 0.000 2.086 315 E HA -0.082 4.317 4.350 0.082 0.000 0.190 315 E C 1.737 178.290 176.600 -0.079 0.000 0.975 315 E CA 1.517 57.881 56.400 -0.060 0.000 0.813 315 E CB -1.211 28.464 29.700 -0.042 0.000 0.768 315 E HN 0.042 nan 8.360 nan 0.000 0.457 316 T N 0.458 114.963 114.554 -0.080 0.000 2.746 316 T HA -0.129 4.270 4.350 0.082 0.000 0.267 316 T C 1.863 176.463 174.700 -0.166 0.000 1.039 316 T CA 1.555 63.586 62.100 -0.115 0.000 1.142 316 T CB -0.549 68.275 68.868 -0.074 0.000 0.866 316 T HN 0.316 nan 8.240 nan 0.000 0.444 317 A N 1.653 124.389 122.820 -0.141 0.000 1.908 317 A HA -0.128 4.241 4.320 0.082 0.000 0.218 317 A C 2.326 179.810 177.584 -0.166 0.000 1.181 317 A CA 1.681 53.618 52.037 -0.166 0.000 0.627 317 A CB -0.616 18.297 19.000 -0.146 0.000 0.818 317 A HN 0.385 nan 8.150 nan 0.000 0.445 318 R N -0.067 120.354 120.500 -0.132 0.000 2.096 318 R HA -0.136 4.254 4.340 0.082 0.000 0.235 318 R C 1.965 178.192 176.300 -0.122 0.000 1.127 318 R CA 1.790 57.820 56.100 -0.116 0.000 0.968 318 R CB -0.198 30.049 30.300 -0.088 0.000 0.861 318 R HN 0.559 nan 8.270 nan 0.000 0.440 319 K N -0.158 120.161 120.400 -0.135 0.000 2.155 319 K HA -0.033 4.337 4.320 0.082 0.000 0.203 319 K C 1.550 178.052 176.600 -0.163 0.000 1.052 319 K CA 0.615 56.820 56.287 -0.137 0.000 0.948 319 K CB 0.150 32.562 32.500 -0.147 0.000 0.728 319 K HN 0.156 nan 8.250 nan 0.000 0.448 320 L N 0.484 121.579 121.223 -0.213 0.000 2.592 320 L HA 0.178 4.567 4.340 0.082 0.000 0.227 320 L C 0.434 177.217 176.870 -0.144 0.000 1.127 320 L CA 0.153 54.876 54.840 -0.195 0.000 0.884 320 L CB -0.502 41.375 42.059 -0.304 0.000 1.065 320 L HN 0.253 nan 8.230 nan 0.000 0.457 321 M N 3.263 122.759 119.600 -0.173 0.000 2.251 321 M HA 0.226 4.756 4.480 0.082 0.000 0.346 321 M C -2.094 174.074 176.300 -0.220 0.000 1.499 321 M CA -1.895 53.283 55.300 -0.204 0.000 1.128 321 M CB 0.349 32.844 32.600 -0.176 0.000 1.809 321 M HN -0.175 nan 8.290 nan 0.000 0.464 322 P HA 0.187 nan 4.420 nan 0.000 0.271 322 P C -1.338 175.675 177.300 -0.477 0.000 1.218 322 P CA 0.003 62.764 63.100 -0.566 0.000 0.780 322 P CB 0.666 31.675 31.700 -1.151 0.000 0.901 323 K N 0.785 121.008 120.400 -0.295 0.000 2.482 323 K HA 0.655 5.024 4.320 0.082 0.000 0.257 323 K C 0.075 176.770 176.600 0.157 0.000 0.969 323 K CA -0.467 55.803 56.287 -0.027 0.000 0.842 323 K CB 2.058 34.543 32.500 -0.024 0.000 1.359 323 K HN 0.793 nan 8.250 nan 0.000 0.441 324 G N 0.702 109.622 108.800 0.200 0.000 2.632 324 G HA2 -0.243 3.767 3.960 0.082 0.000 0.224 324 G HA3 -0.243 3.767 3.960 0.082 0.000 0.224 324 G C -0.716 174.342 174.900 0.264 0.000 1.341 324 G CA -0.839 44.381 45.100 0.199 0.000 0.880 324 G HN 0.442 nan 8.290 nan 0.000 0.566 325 L N -0.287 121.044 121.223 0.181 0.000 2.483 325 L HA 0.398 4.788 4.340 0.082 0.000 0.276 325 L C 0.605 177.545 176.870 0.116 0.000 1.213 325 L CA -0.333 54.577 54.840 0.115 0.000 0.843 325 L CB 0.405 42.512 42.059 0.079 0.000 1.107 325 L HN 0.516 nan 8.230 nan 0.000 0.487 326 F N 3.829 123.630 119.950 -0.248 0.000 2.334 326 F HA 0.632 5.205 4.527 0.077 0.000 0.365 326 F C 0.119 175.796 175.800 -0.204 0.000 1.124 326 F CA -0.698 57.046 58.000 -0.427 0.000 1.166 326 F CB 0.075 38.701 39.000 -0.624 0.000 1.355 326 F HN 0.430 nan 8.300 nan 0.000 0.532 327 A N 4.374 127.001 122.820 -0.321 0.000 2.567 327 A HA 0.761 5.130 4.320 0.082 0.000 0.289 327 A C -0.235 177.201 177.584 -0.246 0.000 1.177 327 A CA -0.780 51.068 52.037 -0.316 0.000 0.694 327 A CB 1.018 19.932 19.000 -0.143 0.000 1.292 327 A HN 0.633 nan 8.150 nan 0.000 0.425 328 K N -1.462 118.811 120.400 -0.211 0.000 1.312 328 K HA -0.175 4.194 4.320 0.082 0.000 0.723 328 K C 0.112 176.672 176.600 -0.066 0.000 1.921 328 K CA 1.030 57.228 56.287 -0.149 0.000 1.159 328 K CB -0.353 32.133 32.500 -0.023 0.000 2.100 328 K HN 0.874 nan 8.250 nan 0.000 0.497 329 R N 2.487 123.072 120.500 0.141 0.000 2.446 329 R HA 0.055 4.444 4.340 0.082 0.000 0.314 329 R C -2.056 174.213 176.300 -0.053 0.000 1.003 329 R CA -0.999 55.205 56.100 0.174 0.000 1.018 329 R CB 0.259 30.765 30.300 0.344 0.000 0.945 329 R HN 0.158 nan 8.270 nan 0.000 0.419 330 P HA 0.020 nan 4.420 nan 0.000 0.271 330 P C -0.913 176.373 177.300 -0.022 0.000 1.216 330 P CA -0.274 62.729 63.100 -0.161 0.000 0.776 330 P CB 0.751 32.291 31.700 -0.267 0.000 0.881 331 L N 3.981 125.231 121.223 0.045 0.000 2.375 331 L HA 0.330 4.719 4.340 0.082 0.000 0.271 331 L C 0.632 177.477 176.870 -0.042 0.000 1.107 331 L CA 0.054 54.895 54.840 0.002 0.000 0.806 331 L CB 0.481 42.527 42.059 -0.021 0.000 1.146 331 L HN 0.617 nan 8.230 nan 0.000 0.447 332 C N 0.015 119.259 119.300 -0.094 0.000 2.889 332 C HA 0.996 5.506 4.460 0.082 0.000 0.307 332 C C -0.764 174.106 174.990 -0.201 0.000 1.251 332 C CA -1.034 57.881 59.018 -0.172 0.000 1.593 332 C CB 1.261 28.885 27.740 -0.192 0.000 2.104 332 C HN 0.943 nan 8.230 nan 0.000 0.476 333 D N -0.699 119.560 120.400 -0.236 0.000 2.583 333 D HA 0.521 5.211 4.640 0.082 0.000 0.248 333 D C -0.717 175.473 176.300 -0.185 0.000 1.209 333 D CA -0.416 53.465 54.000 -0.199 0.000 0.848 333 D CB 1.419 42.103 40.800 -0.194 0.000 1.431 333 D HN 0.392 nan 8.370 nan 0.000 0.436 334 S N -0.155 115.469 115.700 -0.127 0.000 2.560 334 S HA 0.557 5.076 4.470 0.082 0.000 0.227 334 S C 0.738 175.300 174.600 -0.064 0.000 1.280 334 S CA -0.174 57.965 58.200 -0.103 0.000 1.260 334 S CB 0.043 63.192 63.200 -0.085 0.000 1.002 334 S HN 1.033 nan 8.310 nan 0.000 0.509 335 G N 0.945 109.711 108.800 -0.057 0.000 2.215 335 G HA2 -0.287 3.722 3.960 0.082 0.000 0.198 335 G HA3 -0.287 3.722 3.960 0.082 0.000 0.198 335 G C 0.198 175.087 174.900 -0.018 0.000 1.047 335 G CA -0.039 45.048 45.100 -0.022 0.000 0.747 335 G HN 0.581 nan 8.290 nan 0.000 0.495 336 Y N 0.313 120.502 120.300 -0.184 0.000 2.200 336 Y HA -0.003 4.567 4.550 0.034 0.000 0.290 336 Y C 2.440 178.290 175.900 -0.083 0.000 1.137 336 Y CA 2.380 60.350 58.100 -0.216 0.000 1.163 336 Y CB -0.137 38.116 38.460 -0.345 0.000 0.988 336 Y HN 0.357 nan 8.280 nan 0.000 0.518 337 Y N 0.595 120.862 120.300 -0.055 0.000 2.263 337 Y HA -0.104 4.489 4.550 0.071 0.000 0.292 337 Y C 2.254 178.135 175.900 -0.032 0.000 1.130 337 Y CA 1.469 59.527 58.100 -0.070 0.000 1.179 337 Y CB -0.820 37.663 38.460 0.038 0.000 0.998 337 Y HN 0.149 nan 8.280 nan 0.000 0.532 338 E N -0.327 119.932 120.200 0.098 0.000 2.209 338 E HA -0.141 4.258 4.350 0.082 0.000 0.196 338 E C 2.287 178.856 176.600 -0.052 0.000 0.993 338 E CA 0.963 57.383 56.400 0.033 0.000 0.819 338 E CB -0.421 29.291 29.700 0.019 0.000 0.745 338 E HN 0.196 nan 8.360 nan 0.000 0.477 339 V N 0.041 119.853 119.914 -0.170 0.000 2.490 339 V HA -0.247 3.922 4.120 0.082 0.000 0.250 339 V C 1.178 177.041 176.094 -0.385 0.000 1.061 339 V CA 1.547 63.648 62.300 -0.330 0.000 1.064 339 V CB -0.389 31.136 31.823 -0.498 0.000 0.670 339 V HN 0.381 nan 8.190 nan 0.000 0.461 340 Y N -0.040 120.158 120.300 -0.171 0.000 2.583 340 Y HA 0.016 4.594 4.550 0.048 0.000 0.293 340 Y C 2.125 177.963 175.900 -0.104 0.000 1.157 340 Y CA 0.553 58.564 58.100 -0.149 0.000 1.315 340 Y CB -0.347 38.016 38.460 -0.162 0.000 1.021 340 Y HN 0.341 nan 8.280 nan 0.000 0.536 341 N N 0.482 119.190 118.700 0.014 0.000 2.461 341 N HA -0.011 4.778 4.740 0.082 0.000 0.188 341 N C 0.062 175.552 175.510 -0.033 0.000 1.134 341 N CA 0.317 53.364 53.050 -0.005 0.000 0.878 341 N CB 0.009 38.493 38.487 -0.005 0.000 0.972 341 N HN 0.293 nan 8.380 nan 0.000 0.456 342 R N 1.123 121.581 120.500 -0.071 0.000 2.389 342 R HA 0.114 4.503 4.340 0.082 0.000 0.295 342 R C -1.392 174.867 176.300 -0.068 0.000 1.075 342 R CA -1.330 54.723 56.100 -0.080 0.000 1.005 342 R CB 0.496 30.724 30.300 -0.121 0.000 0.987 342 R HN -0.028 nan 8.270 nan 0.000 0.452 343 P HA -0.192 nan 4.420 nan 0.000 0.217 343 P C 0.098 177.384 177.300 -0.024 0.000 1.148 343 P CA 1.402 64.491 63.100 -0.019 0.000 0.828 343 P CB 0.029 31.727 31.700 -0.003 0.000 0.783 344 N N -1.449 117.211 118.700 -0.068 0.000 2.346 344 N HA 0.193 4.982 4.740 0.082 0.000 0.225 344 N C -0.831 174.424 175.510 -0.425 0.000 1.144 344 N CA -0.310 52.660 53.050 -0.134 0.000 0.837 344 N CB 0.071 38.529 38.487 -0.049 0.000 1.069 344 N HN -0.153 nan 8.380 nan 0.000 0.487 345 V N 1.321 121.044 119.914 -0.319 0.000 2.483 345 V HA 0.259 4.428 4.120 0.082 0.000 0.297 345 V C -0.578 175.404 176.094 -0.187 0.000 1.027 345 V CA -0.853 61.239 62.300 -0.346 0.000 0.855 345 V CB 1.490 33.117 31.823 -0.326 0.000 0.995 345 V HN 0.417 nan 8.190 nan 0.000 0.424 346 E N 4.218 124.319 120.200 -0.165 0.000 2.222 346 E HA 0.848 5.247 4.350 0.082 0.000 0.267 346 E C -0.717 175.871 176.600 -0.020 0.000 0.884 346 E CA -0.881 55.511 56.400 -0.014 0.000 0.764 346 E CB 2.417 32.164 29.700 0.078 0.000 1.169 346 E HN 0.670 nan 8.360 nan 0.000 0.413 347 A N 2.857 125.689 122.820 0.020 0.000 2.301 347 A HA 0.542 4.911 4.320 0.082 0.000 0.312 347 A C -0.666 176.840 177.584 -0.131 0.000 1.182 347 A CA -0.754 51.252 52.037 -0.052 0.000 0.826 347 A CB 1.257 20.173 19.000 -0.140 0.000 1.134 347 A HN 0.434 nan 8.150 nan 0.000 0.501 348 V N 2.060 121.847 119.914 -0.212 0.000 2.407 348 V HA 0.546 4.715 4.120 0.082 0.000 0.291 348 V C 0.454 176.507 176.094 -0.068 0.000 1.018 348 V CA -0.353 61.845 62.300 -0.170 0.000 0.842 348 V CB 1.387 32.995 31.823 -0.358 0.000 0.996 348 V HN 1.123 nan 8.190 nan 0.000 0.426 349 A N 5.722 128.523 122.820 -0.032 0.000 2.527 349 A HA 0.479 4.848 4.320 0.082 0.000 0.313 349 A C 1.088 178.688 177.584 0.026 0.000 1.410 349 A CA -0.327 51.703 52.037 -0.011 0.000 1.060 349 A CB -0.261 18.721 19.000 -0.030 0.000 1.137 349 A HN 1.007 nan 8.150 nan 0.000 0.542 350 I N -0.210 120.393 120.570 0.054 0.000 2.830 350 I HA -0.037 4.182 4.170 0.082 0.000 0.263 350 I C 1.651 177.793 176.117 0.041 0.000 1.230 350 I CA 0.622 61.964 61.300 0.070 0.000 1.480 350 I CB -0.134 37.923 38.000 0.096 0.000 1.095 350 I HN 0.312 nan 8.210 nan 0.000 0.455 351 K N 2.179 122.595 120.400 0.027 0.000 2.103 351 K HA -0.171 4.198 4.320 0.082 0.000 0.207 351 K C 1.883 178.493 176.600 0.017 0.000 1.048 351 K CA 2.112 58.410 56.287 0.018 0.000 0.930 351 K CB -0.162 32.344 32.500 0.009 0.000 0.716 351 K HN 0.765 nan 8.250 nan 0.000 0.444 352 E N -1.190 119.020 120.200 0.016 0.000 2.447 352 E HA 0.008 4.407 4.350 0.082 0.000 0.204 352 E C 0.480 177.096 176.600 0.026 0.000 0.977 352 E CA 0.020 56.429 56.400 0.015 0.000 0.950 352 E CB 0.121 29.825 29.700 0.006 0.000 0.975 352 E HN 0.066 nan 8.360 nan 0.000 0.496 353 N N 1.612 120.335 118.700 0.039 0.000 2.752 353 N HA 0.227 5.016 4.740 0.082 0.000 0.260 353 N C -2.843 172.709 175.510 0.071 0.000 1.562 353 N CA -1.680 51.405 53.050 0.058 0.000 0.788 353 N CB 1.204 39.734 38.487 0.071 0.000 1.192 353 N HN -0.108 nan 8.380 nan 0.000 0.503 354 P HA 0.095 nan 4.420 nan 0.000 0.270 354 P C 0.031 177.357 177.300 0.043 0.000 1.223 354 P CA 0.062 63.188 63.100 0.042 0.000 0.785 354 P CB 1.120 32.836 31.700 0.028 0.000 0.923 355 I N 2.513 123.086 120.570 0.005 0.000 2.598 355 I HA 0.035 4.254 4.170 0.082 0.000 0.284 355 I C 1.996 178.107 176.117 -0.009 0.000 1.140 355 I CA 0.248 61.528 61.300 -0.033 0.000 1.420 355 I CB 0.469 38.376 38.000 -0.155 0.000 1.387 355 I HN 0.432 nan 8.210 nan 0.000 0.553 356 R N 6.116 126.624 120.500 0.013 0.000 2.064 356 R HA 0.083 4.472 4.340 0.082 0.000 0.221 356 R C 0.114 176.420 176.300 0.009 0.000 1.136 356 R CA 0.996 57.106 56.100 0.017 0.000 0.980 356 R CB 0.502 30.822 30.300 0.033 0.000 0.876 356 R HN 0.861 nan 8.270 nan 0.000 0.437 357 E N -0.614 119.591 120.200 0.008 0.000 2.416 357 E HA 0.204 4.603 4.350 0.082 0.000 0.280 357 E C -1.388 175.213 176.600 0.003 0.000 1.055 357 E CA -0.896 55.508 56.400 0.007 0.000 0.825 357 E CB 1.566 31.280 29.700 0.022 0.000 1.312 357 E HN -0.043 nan 8.360 nan 0.000 0.452 358 V N -0.242 119.677 119.914 0.007 0.000 2.547 358 V HA 0.813 4.982 4.120 0.082 0.000 0.299 358 V C -0.244 175.904 176.094 0.090 0.000 1.040 358 V CA 0.654 62.969 62.300 0.025 0.000 0.913 358 V CB 1.221 33.018 31.823 -0.043 0.000 0.992 358 V HN 0.980 nan 8.190 nan 0.000 0.449 359 T N 2.043 116.684 114.554 0.146 0.000 2.807 359 T HA 0.745 5.144 4.350 0.082 0.000 0.277 359 T C 1.301 176.137 174.700 0.228 0.000 1.006 359 T CA -0.158 62.030 62.100 0.147 0.000 1.006 359 T CB 1.280 70.212 68.868 0.106 0.000 1.274 359 T HN 1.471 nan 8.240 nan 0.000 0.569 360 A N 0.454 123.355 122.820 0.135 0.000 1.948 360 A HA -0.066 4.303 4.320 0.082 0.000 0.220 360 A C 2.067 179.678 177.584 0.045 0.000 1.177 360 A CA 1.724 53.802 52.037 0.069 0.000 0.636 360 A CB -0.842 18.167 19.000 0.015 0.000 0.815 360 A HN 0.610 nan 8.150 nan 0.000 0.449 361 K N -1.925 118.550 120.400 0.125 0.000 2.354 361 K HA 0.356 4.725 4.320 0.082 0.000 0.194 361 K C 0.854 177.618 176.600 0.273 0.000 1.038 361 K CA 0.777 57.133 56.287 0.115 0.000 1.052 361 K CB 0.610 33.154 32.500 0.073 0.000 0.861 361 K HN 0.615 nan 8.250 nan 0.000 0.535 362 G N -1.278 107.767 108.800 0.407 0.000 2.491 362 G HA2 0.124 4.133 3.960 0.082 0.000 0.183 362 G HA3 0.124 4.133 3.960 0.082 0.000 0.183 362 G C -1.711 173.303 174.900 0.190 0.000 1.221 362 G CA -0.534 44.794 45.100 0.379 0.000 0.996 362 G HN -0.203 nan 8.290 nan 0.000 0.474 363 V N 0.732 120.747 119.914 0.168 0.000 2.448 363 V HA 0.617 4.786 4.120 0.082 0.000 0.295 363 V C -0.056 176.162 176.094 0.206 0.000 1.025 363 V CA -0.643 61.715 62.300 0.096 0.000 0.859 363 V CB 1.389 33.193 31.823 -0.031 0.000 0.988 363 V HN 0.714 nan 8.190 nan 0.000 0.431 364 V N 4.356 124.348 119.914 0.130 0.000 2.394 364 V HA 0.464 4.633 4.120 0.082 0.000 0.282 364 V C 0.638 176.817 176.094 0.141 0.000 1.031 364 V CA -0.429 61.957 62.300 0.143 0.000 0.881 364 V CB 1.605 33.477 31.823 0.082 0.000 0.982 364 V HN 1.024 nan 8.190 nan 0.000 0.451 365 T N 1.200 115.882 114.554 0.213 0.000 2.824 365 T HA 0.319 4.718 4.350 0.082 0.000 0.277 365 T C 0.900 175.664 174.700 0.107 0.000 0.975 365 T CA -0.671 61.532 62.100 0.172 0.000 0.966 365 T CB 1.256 70.282 68.868 0.263 0.000 1.054 365 T HN 0.562 nan 8.240 nan 0.000 0.533 366 E N 1.018 121.267 120.200 0.082 0.000 2.265 366 E HA -0.120 4.280 4.350 0.082 0.000 0.196 366 E C 1.678 178.309 176.600 0.052 0.000 0.996 366 E CA 1.053 57.486 56.400 0.055 0.000 0.832 366 E CB -0.361 29.365 29.700 0.043 0.000 0.756 366 E HN 0.840 nan 8.360 nan 0.000 0.491 367 D N -0.077 120.363 120.400 0.065 0.000 2.350 367 D HA -0.067 4.622 4.640 0.082 0.000 0.216 367 D C 1.359 177.681 176.300 0.038 0.000 0.968 367 D CA 1.026 55.056 54.000 0.050 0.000 0.894 367 D CB -0.347 40.489 40.800 0.059 0.000 0.909 367 D HN 0.200 nan 8.370 nan 0.000 0.520 368 G N -0.154 108.673 108.800 0.046 0.000 2.141 368 G HA2 -0.212 3.797 3.960 0.082 0.000 0.242 368 G HA3 -0.212 3.797 3.960 0.082 0.000 0.242 368 G C 0.208 175.115 174.900 0.013 0.000 0.982 368 G CA 0.323 45.441 45.100 0.030 0.000 0.662 368 G HN 0.997 nan 8.290 nan 0.000 0.527 369 V N -0.536 119.381 119.914 0.006 0.000 2.439 369 V HA 0.762 4.931 4.120 0.082 0.000 0.282 369 V C 0.760 176.786 176.094 -0.114 0.000 1.039 369 V CA -1.176 61.073 62.300 -0.084 0.000 0.913 369 V CB 1.721 33.446 31.823 -0.163 0.000 0.983 369 V HN 0.470 nan 8.190 nan 0.000 0.460 370 L N 6.814 127.973 121.223 -0.106 0.000 2.361 370 L HA 0.433 4.822 4.340 0.082 0.000 0.278 370 L C -0.079 176.700 176.870 -0.152 0.000 1.113 370 L CA -0.269 54.546 54.840 -0.041 0.000 0.849 370 L CB 0.168 42.225 42.059 -0.002 0.000 1.155 370 L HN 0.764 nan 8.230 nan 0.000 0.452 371 H N 5.286 124.419 119.070 0.104 0.000 2.741 371 H HA 0.181 4.803 4.556 0.111 0.000 0.282 371 H C -0.540 174.860 175.328 0.119 0.000 1.122 371 H CA -0.474 55.640 56.048 0.110 0.000 1.293 371 H CB 0.479 30.359 29.762 0.196 0.000 1.415 371 H HN 0.582 nan 8.280 nan 0.000 0.472 372 E N 4.411 124.686 120.200 0.126 0.000 2.257 372 E HA 0.283 4.682 4.350 0.082 0.000 0.278 372 E C -0.254 176.444 176.600 0.164 0.000 1.049 372 E CA -0.145 56.329 56.400 0.124 0.000 0.876 372 E CB 1.054 30.781 29.700 0.046 0.000 1.035 372 E HN 0.399 nan 8.360 nan 0.000 0.419 373 L N 2.387 123.762 121.223 0.253 0.000 2.388 373 L HA 0.325 4.714 4.340 0.082 0.000 0.264 373 L C 0.372 177.436 176.870 0.324 0.000 0.998 373 L CA -0.786 54.233 54.840 0.300 0.000 0.817 373 L CB 1.897 44.159 42.059 0.339 0.000 1.338 373 L HN 0.442 nan 8.230 nan 0.000 0.414 374 D N 0.364 120.909 120.400 0.241 0.000 2.355 374 D HA 0.146 4.836 4.640 0.082 0.000 0.206 374 D C -0.039 176.410 176.300 0.249 0.000 1.010 374 D CA 0.964 55.047 54.000 0.137 0.000 0.875 374 D CB 1.407 42.255 40.800 0.080 0.000 0.966 374 D HN 0.103 nan 8.370 nan 0.000 0.512 375 V N 1.577 121.709 119.914 0.364 0.000 2.733 375 V HA 0.283 4.452 4.120 0.082 0.000 0.306 375 V C -1.257 174.964 176.094 0.212 0.000 1.084 375 V CA -0.869 61.620 62.300 0.314 0.000 0.905 375 V CB 3.057 34.971 31.823 0.151 0.000 1.010 375 V HN -0.124 nan 8.190 nan 0.000 0.424 376 L N 5.520 126.816 121.223 0.122 0.000 2.342 376 L HA 0.680 5.070 4.340 0.082 0.000 0.276 376 L C -0.502 176.298 176.870 -0.116 0.000 0.997 376 L CA -0.202 54.553 54.840 -0.141 0.000 0.838 376 L CB 1.728 43.532 42.059 -0.425 0.000 1.224 376 L HN 0.482 nan 8.230 nan 0.000 0.416 377 V N 5.716 125.523 119.914 -0.178 0.000 2.407 377 V HA 0.391 4.561 4.120 0.082 0.000 0.278 377 V C -0.406 175.473 176.094 -0.358 0.000 1.037 377 V CA -0.341 61.882 62.300 -0.128 0.000 0.900 377 V CB 1.122 32.969 31.823 0.040 0.000 0.983 377 V HN 0.450 nan 8.190 nan 0.000 0.459 378 F N 3.202 123.006 119.950 -0.243 0.000 2.361 378 F HA 0.592 5.182 4.527 0.105 0.000 0.364 378 F C 0.718 176.169 175.800 -0.581 0.000 1.120 378 F CA -0.487 57.297 58.000 -0.360 0.000 1.102 378 F CB 1.454 40.190 39.000 -0.441 0.000 1.183 378 F HN 0.525 nan 8.300 nan 0.000 0.476 379 A N 1.821 124.463 122.820 -0.296 0.000 3.264 379 A HA 0.293 4.662 4.320 0.082 0.000 0.299 379 A C 0.933 178.364 177.584 -0.256 0.000 1.272 379 A CA -0.219 51.595 52.037 -0.372 0.000 1.030 379 A CB -0.917 17.914 19.000 -0.282 0.000 1.102 379 A HN 0.709 nan 8.150 nan 0.000 0.615 380 T N -3.051 111.370 114.554 -0.220 0.000 3.145 380 T HA 0.464 4.863 4.350 0.082 0.000 0.255 380 T C 1.215 175.891 174.700 -0.040 0.000 1.039 380 T CA 0.553 62.626 62.100 -0.046 0.000 0.928 380 T CB -0.229 68.690 68.868 0.085 0.000 1.029 380 T HN 1.718 nan 8.240 nan 0.000 0.554 381 G N 1.822 110.535 108.800 -0.145 0.000 2.575 381 G HA2 -0.122 3.887 3.960 0.082 0.000 0.267 381 G HA3 -0.122 3.887 3.960 0.082 0.000 0.267 381 G C -0.554 174.079 174.900 -0.445 0.000 1.264 381 G CA -0.066 44.888 45.100 -0.244 0.000 0.935 381 G HN 0.477 nan 8.290 nan 0.000 0.568 382 F N 0.987 120.992 119.950 0.092 0.000 2.631 382 F HA 0.531 5.113 4.527 0.092 0.000 0.328 382 F C -0.021 175.805 175.800 0.043 0.000 1.067 382 F CA -0.308 57.717 58.000 0.041 0.000 0.969 382 F CB 1.768 40.783 39.000 0.025 0.000 1.332 382 F HN 0.547 nan 8.300 nan 0.000 0.490 383 D N 1.180 121.721 120.400 0.235 0.000 2.392 383 D HA 0.565 5.254 4.640 0.082 0.000 0.228 383 D C -0.185 176.194 176.300 0.131 0.000 1.074 383 D CA -0.241 53.846 54.000 0.145 0.000 0.838 383 D CB 1.417 42.276 40.800 0.098 0.000 1.067 383 D HN 0.969 nan 8.370 nan 0.000 0.511 384 A N 1.179 124.069 122.820 0.116 0.000 4.891 384 A HA -0.028 4.341 4.320 0.082 0.000 0.504 384 A C 0.420 178.059 177.584 0.092 0.000 1.494 384 A CA 0.018 52.111 52.037 0.093 0.000 0.480 384 A CB -1.330 17.724 19.000 0.091 0.000 2.847 384 A HN 1.212 nan 8.150 nan 0.000 0.460 385 V N -4.380 115.580 119.914 0.076 0.000 3.245 385 V HA 0.278 4.447 4.120 0.082 0.000 0.246 385 V C 1.086 177.247 176.094 0.111 0.000 1.487 385 V CA 1.481 63.826 62.300 0.074 0.000 1.154 385 V CB 0.256 32.114 31.823 0.059 0.000 0.971 385 V HN 1.283 nan 8.190 nan 0.000 0.443 386 D N 1.765 122.238 120.400 0.122 0.000 2.349 386 D HA 0.085 4.774 4.640 0.082 0.000 0.224 386 D C 1.942 178.421 176.300 0.298 0.000 1.029 386 D CA 0.980 55.133 54.000 0.254 0.000 0.879 386 D CB 0.308 41.188 40.800 0.134 0.000 0.906 386 D HN 0.525 nan 8.370 nan 0.000 0.528 387 G N 1.798 110.702 108.800 0.173 0.000 2.503 387 G HA2 -0.349 3.660 3.960 0.082 0.000 0.221 387 G HA3 -0.349 3.660 3.960 0.082 0.000 0.221 387 G C 1.647 176.619 174.900 0.119 0.000 1.131 387 G CA 0.583 45.763 45.100 0.133 0.000 0.756 387 G HN 0.220 nan 8.290 nan 0.000 0.572 388 N N -0.427 118.315 118.700 0.071 0.000 2.331 388 N HA -0.010 4.780 4.740 0.082 0.000 0.180 388 N C 1.737 177.198 175.510 -0.082 0.000 1.019 388 N CA 0.572 53.594 53.050 -0.046 0.000 0.881 388 N CB -0.268 38.132 38.487 -0.144 0.000 0.972 388 N HN 0.511 nan 8.380 nan 0.000 0.435 389 Y N 0.913 121.333 120.300 0.201 0.000 2.286 389 Y HA 0.092 4.690 4.550 0.081 0.000 0.293 389 Y C 2.203 178.231 175.900 0.213 0.000 1.124 389 Y CA 0.788 59.037 58.100 0.249 0.000 1.178 389 Y CB 0.116 38.839 38.460 0.439 0.000 1.010 389 Y HN -0.055 nan 8.280 nan 0.000 0.536 390 R N 0.428 121.147 120.500 0.365 0.000 2.276 390 R HA -0.052 4.337 4.340 0.082 0.000 0.203 390 R C 1.569 178.002 176.300 0.222 0.000 1.017 390 R CA 0.987 57.267 56.100 0.300 0.000 1.010 390 R CB -0.041 30.418 30.300 0.265 0.000 0.900 390 R HN 0.390 nan 8.270 nan 0.000 0.469 391 R N -0.341 120.261 120.500 0.169 0.000 2.308 391 R HA 0.216 4.605 4.340 0.082 0.000 0.202 391 R C 0.569 176.941 176.300 0.120 0.000 0.898 391 R CA 0.278 56.453 56.100 0.125 0.000 1.046 391 R CB -0.121 30.227 30.300 0.081 0.000 1.026 391 R HN -0.031 nan 8.270 nan 0.000 0.512 392 I N 1.834 122.481 120.570 0.129 0.000 2.472 392 I HA 0.106 4.325 4.170 0.082 0.000 0.290 392 I C 0.215 176.421 176.117 0.148 0.000 1.016 392 I CA -0.636 60.732 61.300 0.114 0.000 1.348 392 I CB 1.342 39.398 38.000 0.093 0.000 1.417 392 I HN 0.250 nan 8.210 nan 0.000 0.521 393 E N 7.222 127.502 120.200 0.133 0.000 1.944 393 E HA 0.224 4.623 4.350 0.082 0.000 0.272 393 E C -0.954 175.643 176.600 -0.006 0.000 1.195 393 E CA -0.217 56.251 56.400 0.113 0.000 0.926 393 E CB 0.249 30.034 29.700 0.141 0.000 1.051 393 E HN 0.405 nan 8.360 nan 0.000 0.404 394 I N 4.905 125.371 120.570 -0.174 0.000 2.354 394 I HA 0.390 4.609 4.170 0.082 0.000 0.292 394 I C 0.159 176.206 176.117 -0.116 0.000 0.989 394 I CA -0.659 60.631 61.300 -0.017 0.000 1.188 394 I CB 1.484 39.536 38.000 0.087 0.000 1.342 394 I HN 0.255 nan 8.210 nan 0.000 0.457 395 R N 4.097 124.642 120.500 0.076 0.000 2.502 395 R HA 0.526 4.916 4.340 0.082 0.000 0.300 395 R C 0.115 176.265 176.300 -0.250 0.000 0.984 395 R CA -0.535 55.513 56.100 -0.085 0.000 0.882 395 R CB 2.287 32.539 30.300 -0.080 0.000 1.180 395 R HN 0.843 nan 8.270 nan 0.000 0.444 396 G N 1.694 110.003 108.800 -0.819 0.000 2.714 396 G HA2 0.214 4.224 3.960 0.082 0.000 0.197 396 G HA3 0.214 4.224 3.960 0.082 0.000 0.197 396 G C -0.285 174.182 174.900 -0.722 0.000 1.449 396 G CA -0.669 43.673 45.100 -1.264 0.000 1.065 396 G HN 0.385 nan 8.290 nan 0.000 0.575 397 R N 0.531 120.607 120.500 -0.707 0.000 2.570 397 R HA 0.120 4.509 4.340 0.082 0.000 0.277 397 R C -0.366 175.775 176.300 -0.264 0.000 1.039 397 R CA 0.584 56.472 56.100 -0.353 0.000 1.065 397 R CB 0.196 30.299 30.300 -0.329 0.000 0.964 397 R HN 0.575 nan 8.270 nan 0.000 0.428 398 D N 1.292 121.594 120.400 -0.163 0.000 3.012 398 D HA -0.171 4.518 4.640 0.082 0.000 0.222 398 D C 0.748 176.974 176.300 -0.123 0.000 1.167 398 D CA 1.527 55.451 54.000 -0.126 0.000 0.854 398 D CB -1.302 39.434 40.800 -0.106 0.000 1.107 398 D HN 1.045 nan 8.370 nan 0.000 0.421 399 G N -0.168 108.540 108.800 -0.153 0.000 2.179 399 G HA2 -0.320 3.690 3.960 0.082 0.000 0.257 399 G HA3 -0.320 3.690 3.960 0.082 0.000 0.257 399 G C 0.220 175.057 174.900 -0.105 0.000 1.010 399 G CA 0.356 45.383 45.100 -0.121 0.000 0.736 399 G HN 0.577 nan 8.290 nan 0.000 0.513 400 L N 2.069 123.184 121.223 -0.179 0.000 2.500 400 L HA 0.377 4.766 4.340 0.082 0.000 0.272 400 L C 0.935 177.779 176.870 -0.043 0.000 1.149 400 L CA -0.668 54.104 54.840 -0.113 0.000 0.897 400 L CB 0.127 42.079 42.059 -0.178 0.000 1.178 400 L HN 0.345 nan 8.230 nan 0.000 0.473 401 H N 4.134 123.218 119.070 0.022 0.000 2.732 401 H HA -0.013 4.592 4.556 0.082 0.000 0.351 401 H C 1.080 176.500 175.328 0.153 0.000 1.090 401 H CA 0.296 56.398 56.048 0.090 0.000 1.431 401 H CB 1.230 31.031 29.762 0.066 0.000 1.447 401 H HN 0.856 nan 8.280 nan 0.000 0.582 402 I N 4.303 124.971 120.570 0.163 0.000 2.264 402 I HA -0.296 3.923 4.170 0.082 0.000 0.248 402 I C 1.606 177.784 176.117 0.101 0.000 1.111 402 I CA 1.611 62.863 61.300 -0.080 0.000 1.382 402 I CB -0.314 37.431 38.000 -0.426 0.000 1.060 402 I HN 0.644 nan 8.210 nan 0.000 0.418 403 N N -0.095 118.866 118.700 0.435 0.000 2.270 403 N HA -0.151 4.639 4.740 0.082 0.000 0.181 403 N C 1.264 176.879 175.510 0.174 0.000 1.016 403 N CA 1.109 54.306 53.050 0.245 0.000 0.870 403 N CB -0.036 38.502 38.487 0.085 0.000 0.979 403 N HN 0.382 nan 8.380 nan 0.000 0.431 404 D N -0.237 120.272 120.400 0.182 0.000 2.162 404 D HA -0.125 4.565 4.640 0.082 0.000 0.203 404 D C 1.685 178.087 176.300 0.171 0.000 0.967 404 D CA 0.942 55.027 54.000 0.143 0.000 0.840 404 D CB -0.247 40.629 40.800 0.127 0.000 0.972 404 D HN 0.349 nan 8.370 nan 0.000 0.482 405 H N -0.202 118.922 119.070 0.090 0.000 2.293 405 H HA -0.128 4.477 4.556 0.082 0.000 0.300 405 H C 0.237 175.660 175.328 0.158 0.000 1.082 405 H CA 1.257 57.343 56.048 0.063 0.000 1.308 405 H CB -0.124 29.632 29.762 -0.010 0.000 1.375 405 H HN 0.047 nan 8.280 nan 0.000 0.495 406 W N 3.519 124.757 121.300 -0.103 0.000 1.518 406 W HA 0.143 4.853 4.660 0.083 0.000 0.426 406 W C 0.704 177.191 176.519 -0.054 0.000 0.675 406 W CA -0.291 56.965 57.345 -0.148 0.000 1.936 406 W CB -0.558 28.850 29.460 -0.087 0.000 1.749 406 W HN 0.559 nan 8.180 nan 0.000 0.247 407 D N -0.591 119.891 120.400 0.137 0.000 2.117 407 D HA -0.117 4.572 4.640 0.082 0.000 0.198 407 D C 1.536 177.874 176.300 0.064 0.000 0.982 407 D CA 1.296 55.351 54.000 0.090 0.000 0.828 407 D CB -0.310 40.527 40.800 0.061 0.000 0.967 407 D HN 0.241 nan 8.370 nan 0.000 0.464 408 G N -0.025 108.799 108.800 0.039 0.000 3.286 408 G HA2 0.159 4.168 3.960 0.082 0.000 0.173 408 G HA3 0.159 4.168 3.960 0.082 0.000 0.173 408 G C 0.117 175.004 174.900 -0.020 0.000 1.704 408 G CA -0.424 44.678 45.100 0.003 0.000 1.041 408 G HN 0.125 nan 8.290 nan 0.000 0.561 409 Q N 0.833 120.586 119.800 -0.079 0.000 2.394 409 Q HA 0.227 4.616 4.340 0.082 0.000 0.248 409 Q C -2.228 173.581 176.000 -0.320 0.000 0.992 409 Q CA -1.387 54.321 55.803 -0.159 0.000 0.888 409 Q CB 0.840 29.481 28.738 -0.162 0.000 1.257 409 Q HN 0.161 nan 8.270 nan 0.000 0.462 410 P HA -0.036 nan 4.420 nan 0.000 0.266 410 P C -0.793 175.935 177.300 -0.954 0.000 1.195 410 P CA 0.269 62.532 63.100 -1.394 0.000 0.768 410 P CB 0.602 31.419 31.700 -1.471 0.000 0.838 411 T N -1.186 112.807 114.554 -0.936 0.000 2.887 411 T HA 0.803 5.203 4.350 0.082 0.000 0.292 411 T C -0.526 174.213 174.700 0.065 0.000 1.087 411 T CA -0.712 61.255 62.100 -0.222 0.000 1.009 411 T CB 1.547 70.410 68.868 -0.008 0.000 1.203 411 T HN 0.425 nan 8.240 nan 0.000 0.518 412 S N 0.208 116.035 115.700 0.211 0.000 2.638 412 S HA 0.603 5.122 4.470 0.082 0.000 0.274 412 S C -1.885 172.902 174.600 0.311 0.000 1.157 412 S CA -0.977 57.395 58.200 0.286 0.000 0.826 412 S CB 1.427 64.748 63.200 0.203 0.000 1.139 412 S HN 0.941 nan 8.310 nan 0.000 0.474 413 Y N 2.328 122.640 120.300 0.020 0.000 2.353 413 Y HA 0.561 5.160 4.550 0.082 0.000 0.340 413 Y C 0.845 176.426 175.900 -0.532 0.000 0.972 413 Y CA -1.322 56.628 58.100 -0.249 0.000 1.157 413 Y CB -0.201 38.106 38.460 -0.256 0.000 1.157 413 Y HN 0.858 nan 8.280 nan 0.000 0.495 414 L N 5.477 125.681 121.223 -1.699 0.000 4.884 414 L HA -0.353 4.037 4.340 0.082 0.000 0.430 414 L C 1.212 177.726 176.870 -0.593 0.000 1.087 414 L CA 0.903 54.701 54.840 -1.736 0.000 1.033 414 L CB -1.825 39.315 42.059 -1.531 0.000 2.030 414 L HN 1.044 nan 8.230 nan 0.000 0.762 415 G N -0.905 107.768 108.800 -0.212 0.000 2.199 415 G HA2 -0.292 3.717 3.960 0.082 0.000 0.254 415 G HA3 -0.292 3.717 3.960 0.082 0.000 0.254 415 G C 0.500 175.437 174.900 0.062 0.000 0.982 415 G CA 0.581 45.720 45.100 0.065 0.000 0.632 415 G HN 1.100 nan 8.290 nan 0.000 0.529 416 V N -2.363 117.562 119.914 0.017 0.000 3.451 416 V HA 0.711 4.880 4.120 0.082 0.000 0.288 416 V C 0.536 176.804 176.094 0.290 0.000 1.502 416 V CA 1.246 63.632 62.300 0.143 0.000 1.026 416 V CB 0.324 32.215 31.823 0.113 0.000 0.840 416 V HN 1.707 nan 8.190 nan 0.000 0.437 417 S N -1.000 114.876 115.700 0.293 0.000 2.596 417 S HA 0.778 5.298 4.470 0.082 0.000 0.270 417 S C -0.658 174.178 174.600 0.394 0.000 1.155 417 S CA 0.020 58.461 58.200 0.401 0.000 0.827 417 S CB 2.174 65.693 63.200 0.532 0.000 1.130 417 S HN 0.469 nan 8.310 nan 0.000 0.467 418 T N -0.031 114.763 114.554 0.399 0.000 2.894 418 T HA 0.719 5.119 4.350 0.082 0.000 0.309 418 T C -0.413 174.431 174.700 0.240 0.000 1.208 418 T CA -0.039 62.274 62.100 0.356 0.000 1.016 418 T CB 1.316 70.438 68.868 0.423 0.000 1.192 418 T HN 1.465 nan 8.240 nan 0.000 0.491 419 A N 2.625 125.586 122.820 0.236 0.000 2.425 419 A HA 0.495 4.864 4.320 0.082 0.000 0.242 419 A C 0.920 178.467 177.584 -0.063 0.000 1.077 419 A CA 0.663 52.761 52.037 0.102 0.000 0.781 419 A CB -0.709 18.374 19.000 0.139 0.000 1.020 419 A HN 1.212 nan 8.150 nan 0.000 0.494 420 N N -2.050 116.577 118.700 -0.122 0.000 2.936 420 N HA -0.185 4.604 4.740 0.082 0.000 0.236 420 N C -0.844 174.307 175.510 -0.599 0.000 0.930 420 N CA 1.766 54.614 53.050 -0.336 0.000 0.966 420 N CB -1.464 36.779 38.487 -0.405 0.000 1.090 420 N HN 0.499 nan 8.380 nan 0.000 0.592 421 F N 0.400 120.114 119.950 -0.393 0.000 2.453 421 F HA 0.400 4.977 4.527 0.083 0.000 0.358 421 F C -2.273 173.472 175.800 -0.090 0.000 1.129 421 F CA -2.280 55.513 58.000 -0.346 0.000 1.200 421 F CB 1.001 39.558 39.000 -0.737 0.000 1.431 421 F HN -0.233 nan 8.300 nan 0.000 0.503 422 P HA 0.180 nan 4.420 nan 0.000 0.275 422 P C -0.160 177.279 177.300 0.232 0.000 1.227 422 P CA -0.075 63.001 63.100 -0.039 0.000 0.781 422 P CB 0.655 32.196 31.700 -0.266 0.000 0.906 423 N N -1.005 117.775 118.700 0.133 0.000 2.725 423 N HA -0.215 4.574 4.740 0.082 0.000 0.249 423 N C -1.317 174.276 175.510 0.138 0.000 1.103 423 N CA 0.970 54.156 53.050 0.226 0.000 0.707 423 N CB -1.931 36.788 38.487 0.387 0.000 1.043 423 N HN 0.620 nan 8.380 nan 0.000 0.553 424 W N 0.474 121.479 121.300 -0.492 0.000 2.756 424 W HA 0.627 5.336 4.660 0.081 0.000 0.333 424 W C -1.368 174.850 176.519 -0.502 0.000 1.025 424 W CA -0.666 56.428 57.345 -0.418 0.000 1.246 424 W CB 0.674 29.960 29.460 -0.289 0.000 1.358 424 W HN -0.056 nan 8.180 nan 0.000 0.444 425 F N 5.490 125.268 119.950 -0.288 0.000 2.579 425 F HA 0.684 5.260 4.527 0.082 0.000 0.324 425 F C 0.259 175.805 175.800 -0.423 0.000 1.058 425 F CA -1.155 56.742 58.000 -0.171 0.000 0.944 425 F CB 2.000 40.991 39.000 -0.015 0.000 1.245 425 F HN -0.074 nan 8.300 nan 0.000 0.477 426 M N 2.103 121.705 119.600 0.003 0.000 2.321 426 M HA 0.500 5.029 4.480 0.082 0.000 0.315 426 M C -1.334 175.036 176.300 0.117 0.000 1.052 426 M CA -0.896 54.406 55.300 0.003 0.000 0.936 426 M CB 2.209 34.841 32.600 0.052 0.000 1.639 426 M HN 0.172 nan 8.290 nan 0.000 0.433 427 V N 4.941 124.930 119.914 0.125 0.000 2.383 427 V HA 0.289 4.458 4.120 0.082 0.000 0.275 427 V C 0.708 176.906 176.094 0.173 0.000 1.036 427 V CA -0.501 61.888 62.300 0.148 0.000 0.889 427 V CB 0.995 32.908 31.823 0.150 0.000 0.985 427 V HN 0.889 nan 8.190 nan 0.000 0.459 428 L N 4.040 125.360 121.223 0.162 0.000 3.608 428 L HA -0.179 4.210 4.340 0.082 0.000 0.422 428 L C 1.163 178.145 176.870 0.187 0.000 1.260 428 L CA 0.375 55.315 54.840 0.167 0.000 0.889 428 L CB -1.262 40.902 42.059 0.175 0.000 1.821 428 L HN 0.870 nan 8.230 nan 0.000 0.884 429 G N 0.497 109.397 108.800 0.168 0.000 2.631 429 G HA2 0.422 4.431 3.960 0.082 0.000 0.271 429 G HA3 0.422 4.431 3.960 0.082 0.000 0.271 429 G C -1.914 173.028 174.900 0.071 0.000 1.302 429 G CA -0.492 44.686 45.100 0.130 0.000 1.002 429 G HN 0.223 nan 8.290 nan 0.000 0.519 430 P HA 0.079 nan 4.420 nan 0.000 0.272 430 P C -0.291 177.027 177.300 0.030 0.000 1.240 430 P CA -0.100 62.931 63.100 -0.116 0.000 0.791 430 P CB 0.285 31.784 31.700 -0.335 0.000 0.978 431 N N -1.985 116.726 118.700 0.017 0.000 2.735 431 N HA -0.140 4.649 4.740 0.082 0.000 0.248 431 N C 0.531 176.303 175.510 0.437 0.000 1.083 431 N CA 0.481 53.658 53.050 0.212 0.000 0.703 431 N CB -1.463 37.231 38.487 0.344 0.000 1.005 431 N HN 0.708 nan 8.380 nan 0.000 0.550 432 G N -0.020 108.969 108.800 0.315 0.000 3.075 432 G HA2 0.719 4.728 3.960 0.082 0.000 0.253 432 G HA3 0.719 4.728 3.960 0.082 0.000 0.253 432 G C -2.806 172.244 174.900 0.249 0.000 1.353 432 G CA -0.983 44.247 45.100 0.218 0.000 1.051 432 G HN -0.049 nan 8.290 nan 0.000 0.553 433 P HA 0.255 nan 4.420 nan 0.000 0.274 433 P C -1.384 175.988 177.300 0.119 0.000 1.231 433 P CA -0.334 62.785 63.100 0.031 0.000 0.790 433 P CB 1.169 32.712 31.700 -0.262 0.000 0.951 434 F N 2.359 122.252 119.950 -0.095 0.000 2.308 434 F HA 0.528 5.102 4.527 0.079 0.000 0.370 434 F C -0.575 175.173 175.800 -0.086 0.000 1.100 434 F CA 0.308 58.169 58.000 -0.232 0.000 1.108 434 F CB 0.465 39.256 39.000 -0.348 0.000 1.293 434 F HN 0.197 nan 8.300 nan 0.000 0.478 435 T N 4.034 118.308 114.554 -0.466 0.000 2.830 435 T HA 0.128 4.528 4.350 0.082 0.000 0.322 435 T C -1.367 173.035 174.700 -0.498 0.000 1.501 435 T CA -1.027 60.839 62.100 -0.390 0.000 1.036 435 T CB 1.280 70.012 68.868 -0.227 0.000 1.379 435 T HN 0.504 nan 8.240 nan 0.000 0.493 436 N N 1.995 120.140 118.700 -0.925 0.000 2.365 436 N HA 0.046 4.835 4.740 0.082 0.000 0.265 436 N C 1.059 176.278 175.510 -0.485 0.000 1.288 436 N CA 0.333 52.721 53.050 -1.103 0.000 0.869 436 N CB 0.113 37.646 38.487 -1.590 0.000 1.071 436 N HN 0.550 nan 8.380 nan 0.000 0.480 437 L N 5.339 126.392 121.223 -0.282 0.000 2.095 437 L HA 0.037 4.426 4.340 0.082 0.000 0.204 437 L C -0.661 176.070 176.870 -0.232 0.000 1.080 437 L CA 0.622 55.355 54.840 -0.179 0.000 0.759 437 L CB -1.162 40.864 42.059 -0.055 0.000 0.914 437 L HN 0.512 nan 8.230 nan 0.000 0.439 438 P HA -0.173 nan 4.420 nan 0.000 0.216 438 P C -1.424 175.759 177.300 -0.195 0.000 1.157 438 P CA 1.792 64.589 63.100 -0.505 0.000 0.880 438 P CB -1.121 30.057 31.700 -0.869 0.000 0.791 439 P HA -0.071 nan 4.420 nan 0.000 0.220 439 P C 1.456 178.768 177.300 0.020 0.000 1.148 439 P CA 1.532 64.614 63.100 -0.029 0.000 0.803 439 P CB -0.290 31.448 31.700 0.063 0.000 0.782 440 S N -0.242 115.453 115.700 -0.009 0.000 2.368 440 S HA -0.042 4.477 4.470 0.082 0.000 0.224 440 S C 1.999 176.663 174.600 0.106 0.000 1.029 440 S CA 0.729 58.957 58.200 0.047 0.000 0.988 440 S CB -0.869 62.312 63.200 -0.030 0.000 0.838 440 S HN 0.099 nan 8.310 nan 0.000 0.462 441 I N 1.556 122.178 120.570 0.088 0.000 2.163 441 I HA -0.231 3.988 4.170 0.082 0.000 0.243 441 I C 2.531 178.809 176.117 0.268 0.000 1.085 441 I CA 1.378 62.783 61.300 0.174 0.000 1.347 441 I CB -0.401 37.706 38.000 0.178 0.000 1.044 441 I HN 0.353 nan 8.210 nan 0.000 0.408 442 E N 0.166 120.525 120.200 0.265 0.000 2.085 442 E HA -0.211 4.188 4.350 0.082 0.000 0.194 442 E C 2.135 178.901 176.600 0.278 0.000 0.994 442 E CA 1.954 58.567 56.400 0.356 0.000 0.801 442 E CB -0.147 29.660 29.700 0.179 0.000 0.743 442 E HN 0.475 nan 8.360 nan 0.000 0.453 443 T N 1.144 115.815 114.554 0.195 0.000 2.720 443 T HA -0.205 4.194 4.350 0.082 0.000 0.268 443 T C 1.866 176.676 174.700 0.182 0.000 1.037 443 T CA 1.360 63.565 62.100 0.175 0.000 1.144 443 T CB -0.160 68.827 68.868 0.199 0.000 0.864 443 T HN 0.214 nan 8.240 nan 0.000 0.444 444 Q N 0.044 119.965 119.800 0.202 0.000 2.083 444 Q HA -0.025 4.365 4.340 0.082 0.000 0.198 444 Q C 2.617 178.702 176.000 0.141 0.000 0.969 444 Q CA 1.011 56.919 55.803 0.174 0.000 0.838 444 Q CB -0.270 28.572 28.738 0.173 0.000 0.900 444 Q HN 0.342 nan 8.270 nan 0.000 0.436 445 V N 1.299 121.275 119.914 0.103 0.000 2.343 445 V HA -0.255 3.915 4.120 0.082 0.000 0.247 445 V C 1.836 177.823 176.094 -0.178 0.000 1.051 445 V CA 1.928 64.190 62.300 -0.062 0.000 1.036 445 V CB -0.475 31.287 31.823 -0.101 0.000 0.654 445 V HN 0.338 nan 8.190 nan 0.000 0.451 446 E N -1.245 118.910 120.200 -0.075 0.000 2.077 446 E HA -0.268 4.131 4.350 0.082 0.000 0.193 446 E C 1.915 178.473 176.600 -0.070 0.000 0.989 446 E CA 1.672 58.007 56.400 -0.109 0.000 0.800 446 E CB -0.224 29.477 29.700 0.001 0.000 0.746 446 E HN 0.756 nan 8.360 nan 0.000 0.452 447 W N 0.837 122.038 121.300 -0.164 0.000 2.381 447 W HA -0.183 4.526 4.660 0.083 0.000 0.301 447 W C 1.637 177.991 176.519 -0.276 0.000 1.205 447 W CA 0.766 58.003 57.345 -0.180 0.000 1.285 447 W CB 0.060 29.430 29.460 -0.150 0.000 1.133 447 W HN 0.006 nan 8.180 nan 0.000 0.521 448 I N 0.103 120.673 120.570 0.000 0.000 2.163 448 I HA -0.301 3.918 4.170 0.082 0.000 0.243 448 I C 2.675 178.410 176.117 -0.637 0.000 1.085 448 I CA 1.914 62.958 61.300 -0.428 0.000 1.347 448 I CB -1.869 35.889 38.000 -0.404 0.000 1.044 448 I HN 0.013 nan 8.210 nan 0.000 0.408 449 S N 0.387 115.804 115.700 -0.472 0.000 2.359 449 S HA -0.210 4.309 4.470 0.082 0.000 0.224 449 S C 1.768 176.097 174.600 -0.452 0.000 1.035 449 S CA 1.776 59.694 58.200 -0.470 0.000 1.018 449 S CB -0.275 62.666 63.200 -0.432 0.000 0.876 449 S HN 0.400 nan 8.310 nan 0.000 0.448 450 D N 0.729 120.878 120.400 -0.419 0.000 2.116 450 D HA -0.080 4.609 4.640 0.082 0.000 0.193 450 D C 2.112 178.152 176.300 -0.433 0.000 0.998 450 D CA 1.775 55.548 54.000 -0.379 0.000 0.836 450 D CB -1.081 39.494 40.800 -0.375 0.000 0.951 450 D HN 0.433 nan 8.370 nan 0.000 0.449 451 T N 0.797 114.937 114.554 -0.690 0.000 2.788 451 T HA -0.063 4.336 4.350 0.082 0.000 0.268 451 T C 2.197 176.553 174.700 -0.574 0.000 1.044 451 T CA 0.571 62.164 62.100 -0.846 0.000 1.139 451 T CB -0.126 68.014 68.868 -1.213 0.000 0.867 451 T HN 0.178 nan 8.240 nan 0.000 0.454 452 I N 0.998 121.209 120.570 -0.600 0.000 2.286 452 I HA -0.034 4.185 4.170 0.082 0.000 0.245 452 I C 2.936 178.808 176.117 -0.409 0.000 1.104 452 I CA 1.035 61.969 61.300 -0.610 0.000 1.397 452 I CB -0.795 36.681 38.000 -0.875 0.000 1.072 452 I HN 0.300 nan 8.210 nan 0.000 0.417 453 G N 0.479 109.071 108.800 -0.347 0.000 2.476 453 G HA2 -0.363 3.646 3.960 0.082 0.000 0.218 453 G HA3 -0.363 3.646 3.960 0.082 0.000 0.218 453 G C 1.666 176.483 174.900 -0.137 0.000 1.164 453 G CA 1.094 46.056 45.100 -0.230 0.000 0.768 453 G HN 0.420 nan 8.290 nan 0.000 0.560 454 Y N 1.939 122.086 120.300 -0.255 0.000 2.181 454 Y HA 0.018 4.617 4.550 0.082 0.000 0.288 454 Y C 2.924 178.726 175.900 -0.163 0.000 1.146 454 Y CA 1.607 59.595 58.100 -0.188 0.000 1.164 454 Y CB -0.325 38.018 38.460 -0.195 0.000 0.982 454 Y HN 0.259 nan 8.280 nan 0.000 0.515 455 A N 0.416 123.215 122.820 -0.035 0.000 1.902 455 A HA -0.179 4.190 4.320 0.082 0.000 0.217 455 A C 2.108 179.668 177.584 -0.040 0.000 1.181 455 A CA 1.916 53.940 52.037 -0.021 0.000 0.623 455 A CB -0.589 18.484 19.000 0.123 0.000 0.818 455 A HN 0.551 nan 8.150 nan 0.000 0.443 456 E N -0.271 119.906 120.200 -0.040 0.000 2.072 456 E HA -0.124 4.275 4.350 0.082 0.000 0.190 456 E C 2.266 178.813 176.600 -0.089 0.000 0.982 456 E CA 0.742 57.126 56.400 -0.026 0.000 0.803 456 E CB -0.352 29.323 29.700 -0.041 0.000 0.755 456 E HN 0.565 nan 8.360 nan 0.000 0.453 457 R N 0.701 121.116 120.500 -0.141 0.000 2.083 457 R HA -0.089 4.300 4.340 0.082 0.000 0.237 457 R C 1.028 177.221 176.300 -0.179 0.000 1.137 457 R CA 1.040 57.047 56.100 -0.155 0.000 0.951 457 R CB -0.152 30.045 30.300 -0.172 0.000 0.851 457 R HN 0.159 nan 8.270 nan 0.000 0.434 458 N N -1.769 116.769 118.700 -0.269 0.000 2.452 458 N HA 0.113 4.903 4.740 0.082 0.000 0.296 458 N C 0.789 176.205 175.510 -0.157 0.000 1.304 458 N CA 0.038 52.930 53.050 -0.264 0.000 0.956 458 N CB 0.222 38.429 38.487 -0.467 0.000 1.106 458 N HN 0.057 nan 8.380 nan 0.000 0.555 459 G N -0.784 107.944 108.800 -0.120 0.000 3.371 459 G HA2 0.126 4.135 3.960 0.082 0.000 0.248 459 G HA3 0.126 4.135 3.960 0.082 0.000 0.248 459 G C -0.299 174.579 174.900 -0.037 0.000 1.161 459 G CA -0.200 44.861 45.100 -0.065 0.000 0.796 459 G HN 0.237 nan 8.290 nan 0.000 0.539 460 V N 0.661 120.552 119.914 -0.039 0.000 2.493 460 V HA 0.051 4.220 4.120 0.082 0.000 0.292 460 V C 1.456 177.575 176.094 0.041 0.000 1.016 460 V CA 0.329 62.637 62.300 0.013 0.000 1.097 460 V CB 0.847 32.693 31.823 0.038 0.000 0.947 460 V HN 0.391 nan 8.190 nan 0.000 0.479 461 R N 2.769 123.291 120.500 0.037 0.000 2.189 461 R HA 0.483 4.872 4.340 0.082 0.000 0.203 461 R C 0.488 176.824 176.300 0.060 0.000 1.012 461 R CA 0.919 57.036 56.100 0.030 0.000 1.015 461 R CB 0.387 30.695 30.300 0.014 0.000 0.938 461 R HN 0.829 nan 8.270 nan 0.000 0.472 462 A N 0.470 123.341 122.820 0.086 0.000 2.555 462 A HA 0.546 4.915 4.320 0.082 0.000 0.297 462 A C -1.724 175.932 177.584 0.119 0.000 1.060 462 A CA -0.599 51.502 52.037 0.107 0.000 0.710 462 A CB 1.198 20.252 19.000 0.089 0.000 1.282 462 A HN 0.146 nan 8.150 nan 0.000 0.399 463 I N 1.707 122.363 120.570 0.144 0.000 2.499 463 I HA 0.689 4.908 4.170 0.082 0.000 0.288 463 I C -0.760 175.497 176.117 0.234 0.000 1.048 463 I CA -0.098 61.306 61.300 0.174 0.000 1.062 463 I CB 1.599 39.656 38.000 0.094 0.000 1.238 463 I HN 0.895 nan 8.210 nan 0.000 0.426 464 E N 7.299 127.703 120.200 0.341 0.000 2.392 464 E HA 0.596 4.995 4.350 0.082 0.000 0.279 464 E C -3.028 173.763 176.600 0.319 0.000 0.964 464 E CA -2.291 54.308 56.400 0.331 0.000 0.777 464 E CB 2.036 31.802 29.700 0.110 0.000 1.249 464 E HN 0.141 nan 8.360 nan 0.000 0.449 465 P HA 0.067 nan 4.420 nan 0.000 0.274 465 P C -0.196 177.003 177.300 -0.169 0.000 1.231 465 P CA -0.165 62.754 63.100 -0.303 0.000 0.790 465 P CB 0.588 32.120 31.700 -0.279 0.000 0.951 466 T N -0.194 114.210 114.554 -0.250 0.000 2.898 466 T HA 0.181 4.580 4.350 0.082 0.000 0.301 466 T C -1.819 172.809 174.700 -0.120 0.000 1.049 466 T CA -1.482 60.536 62.100 -0.137 0.000 1.095 466 T CB -0.140 68.654 68.868 -0.124 0.000 0.976 466 T HN 0.186 nan 8.240 nan 0.000 0.539 467 P HA -0.169 nan 4.420 nan 0.000 0.216 467 P C 1.632 178.923 177.300 -0.016 0.000 1.150 467 P CA 1.108 64.213 63.100 0.009 0.000 0.843 467 P CB 0.078 31.796 31.700 0.030 0.000 0.787 468 E N -0.129 120.044 120.200 -0.045 0.000 2.072 468 E HA -0.109 4.290 4.350 0.082 0.000 0.190 468 E C 2.059 178.614 176.600 -0.076 0.000 0.982 468 E CA 1.448 57.824 56.400 -0.039 0.000 0.803 468 E CB -1.424 28.258 29.700 -0.030 0.000 0.755 468 E HN 0.168 nan 8.360 nan 0.000 0.453 469 A N 1.869 124.562 122.820 -0.213 0.000 1.877 469 A HA -0.257 4.113 4.320 0.082 0.000 0.216 469 A C 2.216 179.656 177.584 -0.240 0.000 1.186 469 A CA 1.900 53.691 52.037 -0.411 0.000 0.620 469 A CB -0.667 17.709 19.000 -1.039 0.000 0.822 469 A HN 0.367 nan 8.150 nan 0.000 0.443 470 E N -0.209 119.889 120.200 -0.170 0.000 2.077 470 E HA -0.126 4.274 4.350 0.082 0.000 0.193 470 E C 2.078 178.796 176.600 0.196 0.000 0.989 470 E CA 1.243 57.713 56.400 0.116 0.000 0.800 470 E CB -0.289 29.485 29.700 0.124 0.000 0.746 470 E HN 0.537 nan 8.360 nan 0.000 0.452 471 A N 0.779 123.662 122.820 0.105 0.000 1.898 471 A HA -0.209 4.160 4.320 0.082 0.000 0.216 471 A C 2.078 179.733 177.584 0.117 0.000 1.181 471 A CA 1.753 53.848 52.037 0.097 0.000 0.620 471 A CB -0.588 18.445 19.000 0.055 0.000 0.819 471 A HN 0.327 nan 8.150 nan 0.000 0.442 472 E N -0.694 119.583 120.200 0.128 0.000 2.204 472 E HA -0.182 4.218 4.350 0.082 0.000 0.194 472 E C 1.751 178.499 176.600 0.247 0.000 0.989 472 E CA 1.117 57.609 56.400 0.154 0.000 0.824 472 E CB -0.406 29.377 29.700 0.139 0.000 0.756 472 E HN 0.747 nan 8.360 nan 0.000 0.477 473 W N 0.643 122.029 121.300 0.142 0.000 2.407 473 W HA -0.160 4.549 4.660 0.082 0.000 0.305 473 W C 1.472 178.071 176.519 0.134 0.000 1.196 473 W CA 1.873 59.325 57.345 0.178 0.000 1.311 473 W CB -0.390 29.229 29.460 0.265 0.000 1.135 473 W HN 0.078 nan 8.180 nan 0.000 0.514 474 T N 0.759 115.382 114.554 0.116 0.000 2.635 474 T HA -0.336 4.063 4.350 0.082 0.000 0.267 474 T C 1.559 176.221 174.700 -0.064 0.000 1.040 474 T CA 2.168 64.258 62.100 -0.017 0.000 1.156 474 T CB -0.650 68.241 68.868 0.039 0.000 0.863 474 T HN 0.329 nan 8.240 nan 0.000 0.430 475 E N 0.196 120.392 120.200 -0.008 0.000 2.070 475 E HA -0.197 4.203 4.350 0.082 0.000 0.197 475 E C 2.229 178.803 176.600 -0.044 0.000 1.004 475 E CA 1.633 58.027 56.400 -0.010 0.000 0.805 475 E CB -0.164 29.551 29.700 0.026 0.000 0.744 475 E HN 0.403 nan 8.360 nan 0.000 0.451 476 T N 0.271 114.784 114.554 -0.068 0.000 2.622 476 T HA -0.221 4.179 4.350 0.082 0.000 0.266 476 T C 2.020 176.596 174.700 -0.206 0.000 1.047 476 T CA 1.505 63.534 62.100 -0.120 0.000 1.159 476 T CB -0.592 68.195 68.868 -0.134 0.000 0.863 476 T HN 0.365 nan 8.240 nan 0.000 0.422 477 C N 1.340 120.424 119.300 -0.361 0.000 2.413 477 C HA -0.099 4.411 4.460 0.082 0.000 0.276 477 C C 3.096 178.005 174.990 -0.136 0.000 1.248 477 C CA 1.141 59.995 59.018 -0.273 0.000 1.742 477 C CB -1.519 26.038 27.740 -0.305 0.000 2.017 477 C HN 0.602 nan 8.230 nan 0.000 0.481 478 T N 0.908 115.405 114.554 -0.095 0.000 2.788 478 T HA -0.188 4.211 4.350 0.082 0.000 0.268 478 T C 1.667 176.362 174.700 -0.009 0.000 1.044 478 T CA 2.006 64.090 62.100 -0.027 0.000 1.139 478 T CB -0.337 68.518 68.868 -0.021 0.000 0.867 478 T HN 0.845 nan 8.240 nan 0.000 0.454 479 E N 1.063 121.244 120.200 -0.033 0.000 2.152 479 E HA -0.056 4.344 4.350 0.082 0.000 0.192 479 E C 1.955 178.532 176.600 -0.038 0.000 0.983 479 E CA 0.873 57.261 56.400 -0.020 0.000 0.818 479 E CB -0.407 29.285 29.700 -0.013 0.000 0.758 479 E HN 0.323 nan 8.360 nan 0.000 0.467 480 I N 1.659 122.180 120.570 -0.082 0.000 2.202 480 I HA -0.108 4.111 4.170 0.082 0.000 0.242 480 I C 2.527 178.579 176.117 -0.109 0.000 1.091 480 I CA 1.392 62.619 61.300 -0.121 0.000 1.368 480 I CB -1.663 36.197 38.000 -0.234 0.000 1.058 480 I HN 0.318 nan 8.210 nan 0.000 0.410 481 A N 1.107 123.880 122.820 -0.080 0.000 2.019 481 A HA -0.194 4.176 4.320 0.082 0.000 0.219 481 A C 2.013 179.582 177.584 -0.025 0.000 1.164 481 A CA 1.534 53.533 52.037 -0.063 0.000 0.644 481 A CB -0.722 18.334 19.000 0.094 0.000 0.805 481 A HN 0.410 nan 8.150 nan 0.000 0.449 482 N N 0.501 119.240 118.700 0.065 0.000 2.289 482 N HA -0.073 4.717 4.740 0.082 0.000 0.184 482 N C 1.742 177.271 175.510 0.032 0.000 1.016 482 N CA 1.353 54.474 53.050 0.119 0.000 0.872 482 N CB -0.445 38.089 38.487 0.078 0.000 0.973 482 N HN 0.485 nan 8.380 nan 0.000 0.433 483 A N 0.237 123.033 122.820 -0.040 0.000 1.969 483 A HA -0.045 4.324 4.320 0.082 0.000 0.218 483 A C 1.449 178.970 177.584 -0.106 0.000 1.169 483 A CA 1.324 53.329 52.037 -0.054 0.000 0.635 483 A CB -0.918 18.051 19.000 -0.052 0.000 0.810 483 A HN 0.443 nan 8.150 nan 0.000 0.445 484 T N -3.234 111.185 114.554 -0.226 0.000 2.754 484 T HA 0.481 4.880 4.350 0.082 0.000 0.286 484 T C 1.023 175.473 174.700 -0.418 0.000 0.997 484 T CA -0.318 61.586 62.100 -0.327 0.000 0.982 484 T CB 0.736 69.345 68.868 -0.432 0.000 1.027 484 T HN 0.102 nan 8.240 nan 0.000 0.529 485 L N -0.350 120.673 121.223 -0.333 0.000 2.249 485 L HA 0.299 4.688 4.340 0.082 0.000 0.207 485 L C 0.261 177.116 176.870 -0.025 0.000 1.090 485 L CA 0.162 54.916 54.840 -0.143 0.000 0.802 485 L CB -0.498 41.520 42.059 -0.068 0.000 0.947 485 L HN 0.748 nan 8.230 nan 0.000 0.453 506 L N 4.996 126.018 121.223 -0.335 0.000 2.262 506 L HA 0.753 5.142 4.340 0.082 0.000 0.288 506 L C -0.885 175.804 176.870 -0.301 0.000 1.035 506 L CA 0.435 55.149 54.840 -0.211 0.000 0.820 506 L CB 0.361 42.345 42.059 -0.125 0.000 1.204 506 L HN 0.442 nan 8.230 nan 0.000 0.424 507 F N 3.515 123.463 119.950 -0.004 0.000 2.408 507 F HA 0.309 4.884 4.527 0.080 0.000 0.325 507 F C -0.320 175.493 175.800 0.022 0.000 1.082 507 F CA -0.340 57.684 58.000 0.039 0.000 1.032 507 F CB 0.736 39.763 39.000 0.045 0.000 1.259 507 F HN 0.382 nan 8.300 nan 0.000 0.503 508 Y N 2.299 122.706 120.300 0.179 0.000 2.480 508 Y HA 0.285 4.884 4.550 0.082 0.000 0.341 508 Y C 0.119 176.077 175.900 0.096 0.000 1.031 508 Y CA -0.025 58.104 58.100 0.047 0.000 1.295 508 Y CB 0.251 38.792 38.460 0.135 0.000 1.162 508 Y HN 0.473 nan 8.280 nan 0.000 0.523 509 L N 6.212 127.135 121.223 -0.500 0.000 2.818 509 L HA 0.255 4.644 4.340 0.082 0.000 0.243 509 L C 1.812 178.418 176.870 -0.440 0.000 1.185 509 L CA 0.288 54.934 54.840 -0.323 0.000 0.988 509 L CB 0.188 42.136 42.059 -0.185 0.000 1.292 509 L HN 0.966 nan 8.230 nan 0.000 0.519 510 G N -0.307 107.950 108.800 -0.905 0.000 2.744 510 G HA2 0.342 4.352 3.960 0.082 0.000 0.211 510 G HA3 0.342 4.352 3.960 0.082 0.000 0.211 510 G C 0.865 175.709 174.900 -0.093 0.000 1.143 510 G CA 0.582 45.398 45.100 -0.474 0.000 0.788 510 G HN 0.475 nan 8.290 nan 0.000 0.534 511 G N -1.134 107.653 108.800 -0.021 0.000 2.707 511 G HA2 -0.035 3.974 3.960 0.082 0.000 0.686 511 G HA3 -0.035 3.974 3.960 0.082 0.000 0.686 511 G C 0.357 175.382 174.900 0.207 0.000 1.315 511 G CA -0.165 44.974 45.100 0.064 0.000 0.832 511 G HN 0.713 nan 8.290 nan 0.000 0.573 512 L N 0.624 121.915 121.223 0.114 0.000 2.046 512 L HA 0.097 4.486 4.340 0.082 0.000 0.208 512 L C 2.867 179.845 176.870 0.181 0.000 1.077 512 L CA 2.902 57.834 54.840 0.154 0.000 0.747 512 L CB -0.508 41.579 42.059 0.046 0.000 0.896 512 L HN 0.770 nan 8.230 nan 0.000 0.432 513 R N -0.642 119.928 120.500 0.117 0.000 2.073 513 R HA -0.175 4.215 4.340 0.082 0.000 0.234 513 R C 2.008 178.388 176.300 0.134 0.000 1.134 513 R CA 1.743 57.903 56.100 0.099 0.000 0.952 513 R CB -0.296 30.041 30.300 0.061 0.000 0.850 513 R HN 0.453 nan 8.270 nan 0.000 0.433 514 N N 0.035 118.847 118.700 0.186 0.000 2.166 514 N HA -0.205 4.585 4.740 0.082 0.000 0.186 514 N C 1.516 177.191 175.510 0.276 0.000 1.019 514 N CA 1.195 54.388 53.050 0.237 0.000 0.856 514 N CB -0.589 38.073 38.487 0.291 0.000 0.993 514 N HN 0.311 nan 8.380 nan 0.000 0.426 515 Y N 2.036 122.465 120.300 0.214 0.000 2.181 515 Y HA -0.092 4.508 4.550 0.084 0.000 0.288 515 Y C 2.288 178.165 175.900 -0.039 0.000 1.146 515 Y CA 1.531 59.649 58.100 0.029 0.000 1.164 515 Y CB -0.129 38.382 38.460 0.086 0.000 0.982 515 Y HN -0.064 nan 8.280 nan 0.000 0.515 516 R N -0.157 120.343 120.500 -0.000 0.000 2.081 516 R HA -0.158 4.231 4.340 0.082 0.000 0.235 516 R C 2.534 178.775 176.300 -0.099 0.000 1.131 516 R CA 1.252 57.302 56.100 -0.084 0.000 0.960 516 R CB -0.661 29.659 30.300 0.033 0.000 0.856 516 R HN 0.434 nan 8.270 nan 0.000 0.436 517 A N 0.597 123.397 122.820 -0.034 0.000 1.902 517 A HA -0.120 4.250 4.320 0.082 0.000 0.217 517 A C 2.354 179.902 177.584 -0.061 0.000 1.181 517 A CA 1.393 53.417 52.037 -0.021 0.000 0.623 517 A CB -0.582 18.434 19.000 0.027 0.000 0.818 517 A HN 0.122 nan 8.150 nan 0.000 0.443 518 V N 0.105 119.959 119.914 -0.099 0.000 2.287 518 V HA -0.309 3.860 4.120 0.082 0.000 0.248 518 V C 2.725 178.654 176.094 -0.276 0.000 1.053 518 V CA 2.129 64.340 62.300 -0.147 0.000 1.027 518 V CB -0.650 31.090 31.823 -0.138 0.000 0.646 518 V HN 0.513 nan 8.190 nan 0.000 0.447 519 M N -0.219 119.104 119.600 -0.462 0.000 2.117 519 M HA -0.105 4.424 4.480 0.082 0.000 0.262 519 M C 2.402 178.680 176.300 -0.038 0.000 1.065 519 M CA 2.265 57.252 55.300 -0.521 0.000 1.114 519 M CB -1.586 30.564 32.600 -0.749 0.000 1.361 519 M HN 0.401 nan 8.290 nan 0.000 0.408 520 A N -0.367 122.433 122.820 -0.035 0.000 1.930 520 A HA -0.174 4.195 4.320 0.082 0.000 0.217 520 A C 2.168 179.735 177.584 -0.028 0.000 1.175 520 A CA 1.795 53.838 52.037 0.011 0.000 0.627 520 A CB -0.714 18.278 19.000 -0.013 0.000 0.815 520 A HN 0.588 nan 8.150 nan 0.000 0.443 521 E N -0.253 119.926 120.200 -0.036 0.000 2.106 521 E HA -0.099 4.300 4.350 0.082 0.000 0.192 521 E C 1.834 178.413 176.600 -0.035 0.000 0.984 521 E CA 1.100 57.481 56.400 -0.033 0.000 0.806 521 E CB -0.072 29.621 29.700 -0.010 0.000 0.750 521 E HN 0.314 nan 8.360 nan 0.000 0.458 522 V N 1.237 121.145 119.914 -0.009 0.000 2.295 522 V HA -0.299 3.870 4.120 0.082 0.000 0.246 522 V C 2.444 178.461 176.094 -0.128 0.000 1.049 522 V CA 1.941 64.271 62.300 0.050 0.000 1.024 522 V CB -0.774 31.132 31.823 0.139 0.000 0.648 522 V HN 0.446 nan 8.190 nan 0.000 0.447 523 A N -0.085 122.596 122.820 -0.233 0.000 1.883 523 A HA -0.161 4.208 4.320 0.082 0.000 0.217 523 A C 2.388 179.604 177.584 -0.614 0.000 1.186 523 A CA 2.242 53.781 52.037 -0.830 0.000 0.624 523 A CB -0.865 17.795 19.000 -0.567 0.000 0.822 523 A HN 0.609 nan 8.150 nan 0.000 0.444 524 A N -0.778 121.869 122.820 -0.289 0.000 2.015 524 A HA -0.104 4.265 4.320 0.082 0.000 0.219 524 A C 1.557 179.054 177.584 -0.145 0.000 1.163 524 A CA 1.780 53.708 52.037 -0.182 0.000 0.646 524 A CB -0.405 18.537 19.000 -0.098 0.000 0.806 524 A HN 0.417 nan 8.150 nan 0.000 0.448 525 D N -0.615 119.703 120.400 -0.136 0.000 2.538 525 D HA 0.323 5.012 4.640 0.082 0.000 0.234 525 D C 1.002 177.268 176.300 -0.055 0.000 1.191 525 D CA 0.606 54.570 54.000 -0.059 0.000 0.828 525 D CB -0.842 39.955 40.800 -0.005 0.000 0.981 525 D HN 0.469 nan 8.370 nan 0.000 0.490 526 G N 1.436 110.152 108.800 -0.140 0.000 2.338 526 G HA2 -0.356 3.653 3.960 0.082 0.000 0.296 526 G HA3 -0.356 3.653 3.960 0.082 0.000 0.296 526 G C 0.051 174.962 174.900 0.019 0.000 1.040 526 G CA 0.163 45.222 45.100 -0.069 0.000 1.004 526 G HN 0.383 nan 8.290 nan 0.000 0.509 527 Y N -2.879 117.395 120.300 -0.044 0.000 3.018 527 Y HA -0.242 4.357 4.550 0.082 0.000 0.181 527 Y C 1.278 177.393 175.900 0.358 0.000 1.542 527 Y CA 1.026 59.199 58.100 0.123 0.000 0.975 527 Y CB -1.260 37.127 38.460 -0.122 0.000 1.379 527 Y HN 0.857 nan 8.280 nan 0.000 0.423 528 R N 1.290 121.986 120.500 0.326 0.000 2.502 528 R HA 0.321 4.710 4.340 0.082 0.000 0.292 528 R C 1.426 177.935 176.300 0.348 0.000 0.998 528 R CA 1.351 57.617 56.100 0.277 0.000 1.056 528 R CB -0.061 30.351 30.300 0.188 0.000 0.939 528 R HN 0.991 nan 8.270 nan 0.000 0.411 529 G N 3.287 112.174 108.800 0.146 0.000 2.176 529 G HA2 -0.282 3.727 3.960 0.082 0.000 0.253 529 G HA3 -0.282 3.727 3.960 0.082 0.000 0.253 529 G C -0.272 174.446 174.900 -0.304 0.000 0.979 529 G CA -0.016 44.974 45.100 -0.184 0.000 0.641 529 G HN 0.519 nan 8.290 nan 0.000 0.530 530 F N 0.839 120.873 119.950 0.140 0.000 2.421 530 F HA 0.628 5.204 4.527 0.082 0.000 0.337 530 F C 0.566 176.431 175.800 0.108 0.000 1.105 530 F CA -0.910 57.184 58.000 0.158 0.000 1.049 530 F CB 1.675 40.834 39.000 0.266 0.000 1.139 530 F HN 0.068 nan 8.300 nan 0.000 0.479 531 E N 2.110 122.461 120.200 0.251 0.000 2.194 531 E HA 0.478 4.878 4.350 0.082 0.000 0.284 531 E C -1.462 175.254 176.600 0.192 0.000 1.035 531 E CA -0.309 56.192 56.400 0.168 0.000 0.836 531 E CB 0.945 30.701 29.700 0.092 0.000 1.070 531 E HN 0.389 nan 8.360 nan 0.000 0.401 532 V N 5.700 125.711 119.914 0.162 0.000 2.409 532 V HA 0.251 4.420 4.120 0.082 0.000 0.291 532 V C -0.231 175.923 176.094 0.100 0.000 1.020 532 V CA -0.809 61.578 62.300 0.145 0.000 0.848 532 V CB 1.517 33.443 31.823 0.171 0.000 0.990 532 V HN 0.610 nan 8.190 nan 0.000 0.430 533 K N 3.904 124.353 120.400 0.083 0.000 2.268 533 K HA 0.439 4.808 4.320 0.082 0.000 0.276 533 K C 0.228 176.856 176.600 0.046 0.000 1.080 533 K CA -0.200 56.120 56.287 0.056 0.000 0.910 533 K CB 0.645 33.174 32.500 0.048 0.000 1.163 533 K HN 0.755 nan 8.250 nan 0.000 0.465 534 S N 0.000 115.722 115.700 0.037 0.000 2.498 534 S HA 0.000 4.519 4.470 0.082 0.000 0.327 534 S CA 0.000 58.212 58.200 0.020 0.000 1.107 534 S CB 0.000 63.211 63.200 0.019 0.000 0.593 534 S HN 0.000 nan 8.310 nan 0.000 0.517