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 2aq5_1_A DATA FIRST_RESID 8 DATA SEQUENCE SSKFRHVFGQ PAKADQCYED VRVSQTTWDS GFCAVNPKFM ALIXEASGGG DATA SEQUENCE AFLVLPLGKT GRVDKNVPLV XGHTAPVLDI AWXPHNDNVI ASGSEDCTVM DATA SEQUENCE VWEIPDGGLV LPLREPVITL EGHTKRVGIV AWHPTAQNVL LSAGXDNVIL DATA SEQUENCE VWDVGTGAAV LTLGPDVHPD TIYSVDWSRD GALICTSCRD KRVRVIEPRK DATA SEQUENCE GTVVAEKDRP HEGTRPVHAV FVSEGKILTT GFSRMSERQV ALWDTKHLEE DATA SEQUENCE PLSLQELDTS SGVLLPFFDP DTNIVYLCGK GDSSIRYFEI TSEAPFLHYL DATA SEQUENCE SMFSSKESQR GMGYMPKRGL EVNKXEIARF YKLHERKCEP IAMTVPRKSD DATA SEQUENCE LFQEDLYPPT AGPDPALTAE EWLGGRDAGP LLISLKDGYV PPKSR 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.552 174.600 -0.080 0.000 1.055 8 S CA 0.000 58.165 58.200 -0.059 0.000 1.107 8 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 9 S N 1.361 117.005 115.700 -0.092 0.000 2.566 9 S HA 0.087 4.557 4.470 0.001 0.000 0.280 9 S C 1.419 175.930 174.600 -0.148 0.000 1.343 9 S CA 0.198 58.344 58.200 -0.090 0.000 1.036 9 S CB 0.287 63.483 63.200 -0.006 0.000 0.866 9 S HN 0.781 nan 8.310 nan 0.000 0.526 10 K N 2.255 122.478 120.400 -0.295 0.000 2.515 10 K HA -0.060 4.261 4.320 0.001 0.000 0.196 10 K C 0.330 176.602 176.600 -0.546 0.000 1.038 10 K CA 1.396 57.407 56.287 -0.460 0.000 0.967 10 K CB -0.305 31.818 32.500 -0.629 0.000 0.780 10 K HN 0.621 nan 8.250 nan 0.000 0.483 11 F N 0.722 120.649 119.950 -0.037 0.000 2.678 11 F HA 0.316 4.844 4.527 0.001 0.000 0.305 11 F C 1.997 177.779 175.800 -0.030 0.000 1.090 11 F CA -0.831 57.154 58.000 -0.024 0.000 1.272 11 F CB 0.226 39.210 39.000 -0.027 0.000 1.060 11 F HN -0.065 nan 8.300 nan 0.000 0.576 12 R N 0.522 121.016 120.500 -0.009 0.000 2.105 12 R HA -0.140 4.201 4.340 0.001 0.000 0.239 12 R C 1.211 177.341 176.300 -0.284 0.000 1.135 12 R CA 1.887 57.858 56.100 -0.216 0.000 0.967 12 R CB -0.848 29.203 30.300 -0.416 0.000 0.861 12 R HN 0.257 nan 8.270 nan 0.000 0.442 13 H N -0.660 118.488 119.070 0.130 0.000 2.507 13 H HA 0.238 4.794 4.556 0.001 0.000 0.294 13 H C -0.268 175.237 175.328 0.295 0.000 1.064 13 H CA -0.325 55.825 56.048 0.169 0.000 1.138 13 H CB -0.070 29.753 29.762 0.103 0.000 1.515 13 H HN -0.065 nan 8.280 nan 0.000 0.547 14 V N 2.914 123.035 119.914 0.345 0.000 2.694 14 V HA -0.073 4.047 4.120 0.001 0.000 0.306 14 V C 0.241 176.574 176.094 0.399 0.000 1.054 14 V CA 0.818 63.285 62.300 0.277 0.000 1.161 14 V CB -0.643 31.241 31.823 0.101 0.000 0.916 14 V HN 0.308 nan 8.190 nan 0.000 0.490 15 F N 2.117 122.153 119.950 0.144 0.000 2.599 15 F HA 0.859 5.386 4.527 0.001 0.000 0.311 15 F C 0.214 176.084 175.800 0.116 0.000 1.076 15 F CA -1.008 57.112 58.000 0.199 0.000 0.937 15 F CB 1.525 40.636 39.000 0.185 0.000 1.282 15 F HN 0.592 nan 8.300 nan 0.000 0.460 16 G N 1.214 110.173 108.800 0.265 0.000 2.372 16 G HA2 0.475 4.436 3.960 0.001 0.000 0.283 16 G HA3 0.475 4.436 3.960 0.001 0.000 0.283 16 G C -1.686 173.277 174.900 0.104 0.000 1.177 16 G CA -0.463 44.592 45.100 -0.075 0.000 0.842 16 G HN 0.780 nan 8.290 nan 0.000 0.503 17 Q N 2.044 121.773 119.800 -0.120 0.000 2.337 17 Q HA 0.437 4.777 4.340 0.001 0.000 0.264 17 Q C -2.663 173.300 176.000 -0.062 0.000 1.007 17 Q CA -1.907 53.919 55.803 0.038 0.000 0.727 17 Q CB 2.435 31.205 28.738 0.053 0.000 1.256 17 Q HN 0.274 nan 8.270 nan 0.000 0.467 18 P HA 0.232 nan 4.420 nan 0.000 0.271 18 P C -0.993 176.302 177.300 -0.009 0.000 1.216 18 P CA -0.129 62.968 63.100 -0.004 0.000 0.771 18 P CB 0.922 32.694 31.700 0.119 0.000 0.864 19 A N 3.846 126.634 122.820 -0.054 0.000 2.425 19 A HA 0.157 4.477 4.320 0.001 0.000 0.242 19 A C 0.456 178.027 177.584 -0.022 0.000 1.077 19 A CA -0.256 51.747 52.037 -0.056 0.000 0.781 19 A CB -0.117 18.820 19.000 -0.105 0.000 1.020 19 A HN 0.463 nan 8.150 nan 0.000 0.494 20 K N 1.129 121.515 120.400 -0.022 0.000 2.230 20 K HA 0.267 4.588 4.320 0.001 0.000 0.253 20 K C 1.387 177.971 176.600 -0.028 0.000 1.008 20 K CA 0.257 56.537 56.287 -0.012 0.000 0.910 20 K CB 0.279 32.771 32.500 -0.012 0.000 0.994 20 K HN 0.692 nan 8.250 nan 0.000 0.495 21 A N 2.021 124.833 122.820 -0.013 0.000 1.917 21 A HA -0.232 4.089 4.320 0.001 0.000 0.219 21 A C 1.681 179.233 177.584 -0.053 0.000 1.182 21 A CA 2.238 54.262 52.037 -0.021 0.000 0.633 21 A CB -0.705 18.293 19.000 -0.003 0.000 0.819 21 A HN 0.936 nan 8.150 nan 0.000 0.448 22 D N -1.176 119.194 120.400 -0.051 0.000 2.350 22 D HA -0.114 4.527 4.640 0.001 0.000 0.216 22 D C 1.102 177.335 176.300 -0.112 0.000 0.968 22 D CA 0.905 54.866 54.000 -0.066 0.000 0.894 22 D CB -0.244 40.530 40.800 -0.044 0.000 0.909 22 D HN 0.411 nan 8.370 nan 0.000 0.520 23 Q N -0.493 119.228 119.800 -0.132 0.000 2.159 23 Q HA 0.229 4.569 4.340 0.001 0.000 0.217 23 Q C 0.018 175.835 176.000 -0.305 0.000 0.818 23 Q CA -0.188 55.499 55.803 -0.193 0.000 1.008 23 Q CB 0.523 29.186 28.738 -0.124 0.000 1.148 23 Q HN 0.299 nan 8.270 nan 0.000 0.491 24 C N 0.019 119.152 119.300 -0.279 0.000 2.484 24 C HA 0.567 5.028 4.460 0.001 0.000 0.409 24 C C -0.204 174.496 174.990 -0.484 0.000 1.434 24 C CA -0.557 58.288 59.018 -0.287 0.000 1.913 24 C CB 0.260 27.959 27.740 -0.069 0.000 2.028 24 C HN 0.312 nan 8.230 nan 0.000 0.516 25 Y N 0.453 120.786 120.300 0.055 0.000 2.326 25 Y HA 0.534 5.085 4.550 0.001 0.000 0.331 25 Y C 0.027 175.945 175.900 0.029 0.000 0.962 25 Y CA -0.380 57.754 58.100 0.056 0.000 1.167 25 Y CB 0.583 39.096 38.460 0.090 0.000 1.148 25 Y HN 0.579 nan 8.280 nan 0.000 0.463 26 E N 0.749 121.024 120.200 0.124 0.000 2.249 26 E HA 0.373 4.723 4.350 0.001 0.000 0.263 26 E C -0.560 176.079 176.600 0.065 0.000 0.950 26 E CA -0.682 55.756 56.400 0.065 0.000 0.827 26 E CB 0.871 30.588 29.700 0.029 0.000 1.220 26 E HN 0.508 nan 8.360 nan 0.000 0.411 27 D N 0.063 120.489 120.400 0.043 0.000 2.800 27 D HA -0.145 4.496 4.640 0.001 0.000 0.232 27 D C -0.932 175.395 176.300 0.047 0.000 1.137 27 D CA 0.735 54.759 54.000 0.039 0.000 0.718 27 D CB -1.013 39.808 40.800 0.035 0.000 1.084 27 D HN 0.214 nan 8.370 nan 0.000 0.432 28 V N -1.720 118.227 119.914 0.056 0.000 2.509 28 V HA 0.492 4.612 4.120 0.001 0.000 0.284 28 V C 1.010 177.134 176.094 0.050 0.000 1.047 28 V CA -0.634 61.701 62.300 0.058 0.000 0.952 28 V CB 1.778 33.647 31.823 0.076 0.000 0.988 28 V HN 0.058 nan 8.190 nan 0.000 0.469 29 R N 3.085 123.610 120.500 0.040 0.000 3.710 29 R HA 0.338 4.678 4.340 0.001 0.000 0.201 29 R C -0.483 175.847 176.300 0.051 0.000 1.641 29 R CA -0.314 55.810 56.100 0.039 0.000 1.390 29 R CB 0.214 30.527 30.300 0.022 0.000 1.341 29 R HN 0.704 nan 8.270 nan 0.000 0.728 30 V N 1.625 121.585 119.914 0.077 0.000 2.673 30 V HA -0.103 4.018 4.120 0.001 0.000 0.303 30 V C 1.111 177.279 176.094 0.123 0.000 1.046 30 V CA 0.323 62.692 62.300 0.114 0.000 1.126 30 V CB 1.370 33.288 31.823 0.158 0.000 0.934 30 V HN 0.580 nan 8.190 nan 0.000 0.487 31 S N 3.838 119.602 115.700 0.107 0.000 2.558 31 S HA -0.015 4.455 4.470 0.001 0.000 0.293 31 S C 0.880 175.636 174.600 0.260 0.000 1.292 31 S CA -0.225 58.030 58.200 0.092 0.000 1.063 31 S CB 0.425 63.532 63.200 -0.156 0.000 0.831 31 S HN 0.744 nan 8.310 nan 0.000 0.499 32 Q N 2.801 122.715 119.800 0.189 0.000 2.280 32 Q HA 0.112 4.452 4.340 0.001 0.000 0.201 32 Q C 0.327 176.463 176.000 0.226 0.000 0.890 32 Q CA 0.130 56.050 55.803 0.196 0.000 0.947 32 Q CB -0.103 28.707 28.738 0.121 0.000 1.081 32 Q HN 0.650 nan 8.270 nan 0.000 0.502 33 T N 2.193 116.919 114.554 0.287 0.000 2.928 33 T HA 0.061 4.412 4.350 0.001 0.000 0.305 33 T C 0.283 175.210 174.700 0.378 0.000 1.035 33 T CA 0.528 62.804 62.100 0.292 0.000 1.145 33 T CB 0.619 69.634 68.868 0.245 0.000 0.963 33 T HN 0.040 nan 8.240 nan 0.000 0.545 34 T N 5.776 120.494 114.554 0.274 0.000 2.738 34 T HA 0.279 4.629 4.350 0.001 0.000 0.294 34 T C -0.678 174.261 174.700 0.398 0.000 0.914 34 T CA -0.340 61.901 62.100 0.236 0.000 1.052 34 T CB -0.117 68.845 68.868 0.156 0.000 0.897 34 T HN 0.528 nan 8.240 nan 0.000 0.522 35 W N 2.253 123.576 121.300 0.038 0.000 3.571 35 W HA 0.164 4.824 4.660 0.001 0.000 0.294 35 W C -1.350 175.128 176.519 -0.068 0.000 1.257 35 W CA -0.682 56.703 57.345 0.066 0.000 1.206 35 W CB 1.792 31.410 29.460 0.262 0.000 1.325 35 W HN 0.396 nan 8.180 nan 0.000 0.546 36 D N 2.792 122.879 120.400 -0.522 0.000 2.690 36 D HA 0.051 4.691 4.640 0.001 0.000 0.236 36 D C 0.854 177.050 176.300 -0.173 0.000 1.218 36 D CA 0.563 54.364 54.000 -0.332 0.000 0.829 36 D CB 0.338 40.961 40.800 -0.295 0.000 1.009 36 D HN 0.243 nan 8.370 nan 0.000 0.482 37 S N -2.149 113.583 115.700 0.052 0.000 2.745 37 S HA 0.528 4.999 4.470 0.001 0.000 0.292 37 S C 1.598 176.322 174.600 0.207 0.000 1.133 37 S CA -0.376 57.978 58.200 0.257 0.000 0.998 37 S CB 1.781 65.325 63.200 0.574 0.000 1.087 37 S HN 0.044 nan 8.310 nan 0.000 0.551 38 G N -0.718 108.257 108.800 0.292 0.000 2.443 38 G HA2 0.075 4.036 3.960 0.001 0.000 0.219 38 G HA3 0.075 4.036 3.960 0.001 0.000 0.219 38 G C 0.431 175.579 174.900 0.414 0.000 1.131 38 G CA 0.358 45.647 45.100 0.316 0.000 0.775 38 G HN 0.711 nan 8.290 nan 0.000 0.547 39 F N -1.586 118.465 119.950 0.167 0.000 2.825 39 F HA -0.182 4.345 4.527 0.001 0.000 0.358 39 F C 0.816 176.683 175.800 0.112 0.000 0.639 39 F CA 0.230 58.305 58.000 0.125 0.000 1.153 39 F CB -1.841 37.240 39.000 0.136 0.000 1.610 39 F HN 0.372 nan 8.300 nan 0.000 0.305 40 C N 0.713 120.205 119.300 0.319 0.000 2.608 40 C HA 0.879 5.339 4.460 0.001 0.000 0.325 40 C C -0.364 174.765 174.990 0.232 0.000 1.147 40 C CA 0.231 59.393 59.018 0.240 0.000 1.359 40 C CB 0.708 28.612 27.740 0.274 0.000 1.912 40 C HN 0.824 nan 8.230 nan 0.000 0.466 41 A N 5.020 127.960 122.820 0.200 0.000 2.398 41 A HA 0.855 5.176 4.320 0.001 0.000 0.301 41 A C -0.711 177.132 177.584 0.432 0.000 1.041 41 A CA -0.118 52.094 52.037 0.293 0.000 0.711 41 A CB 1.334 20.446 19.000 0.186 0.000 1.240 41 A HN 2.105 nan 8.150 nan 0.000 0.420 42 V N 0.599 120.663 119.914 0.251 0.000 3.040 42 V HA 0.966 5.086 4.120 0.001 0.000 0.312 42 V C -0.860 175.069 176.094 -0.275 0.000 1.115 42 V CA -0.731 61.506 62.300 -0.105 0.000 0.998 42 V CB 2.019 33.495 31.823 -0.578 0.000 1.042 42 V HN 1.328 nan 8.190 nan 0.000 0.433 43 N N 1.231 119.587 118.700 -0.572 0.000 2.902 43 N HA 0.658 5.399 4.740 0.001 0.000 0.268 43 N C -2.765 172.480 175.510 -0.441 0.000 1.450 43 N CA -1.957 50.782 53.050 -0.519 0.000 0.819 43 N CB 0.969 39.041 38.487 -0.691 0.000 1.540 43 N HN 0.286 nan 8.380 nan 0.000 0.545 44 P HA -0.020 nan 4.420 nan 0.000 0.223 44 P C 0.478 177.560 177.300 -0.363 0.000 1.144 44 P CA 1.502 64.429 63.100 -0.289 0.000 0.783 44 P CB 0.269 31.836 31.700 -0.221 0.000 0.771 45 K N -2.563 117.512 120.400 -0.542 0.000 2.287 45 K HA 0.168 4.488 4.320 0.001 0.000 0.199 45 K C 0.130 176.127 176.600 -1.006 0.000 1.061 45 K CA 0.573 56.355 56.287 -0.843 0.000 0.976 45 K CB 0.354 32.158 32.500 -1.159 0.000 0.898 45 K HN 0.099 nan 8.250 nan 0.000 0.492 46 F N -0.106 119.573 119.950 -0.450 0.000 2.599 46 F HA 0.403 4.931 4.527 0.001 0.000 0.311 46 F C -0.278 175.333 175.800 -0.314 0.000 1.076 46 F CA -1.212 56.583 58.000 -0.342 0.000 0.937 46 F CB 1.497 40.287 39.000 -0.349 0.000 1.282 46 F HN -0.253 nan 8.300 nan 0.000 0.460 47 M N 2.603 122.229 119.600 0.043 0.000 2.268 47 M HA 0.811 5.292 4.480 0.001 0.000 0.344 47 M C -1.458 174.920 176.300 0.129 0.000 1.106 47 M CA -0.371 54.880 55.300 -0.083 0.000 1.010 47 M CB 1.199 33.549 32.600 -0.416 0.000 1.649 47 M HN 0.788 nan 8.290 nan 0.000 0.443 48 A N 5.629 128.595 122.820 0.243 0.000 2.401 48 A HA 0.865 5.186 4.320 0.001 0.000 0.310 48 A C -1.547 176.108 177.584 0.118 0.000 1.075 48 A CA -0.675 51.496 52.037 0.223 0.000 0.746 48 A CB 1.480 20.627 19.000 0.244 0.000 1.277 48 A HN 0.876 nan 8.150 nan 0.000 0.425 49 L N -0.252 121.032 121.223 0.102 0.000 2.469 49 L HA 0.800 5.141 4.340 0.001 0.000 0.256 49 L C -0.689 176.213 176.870 0.054 0.000 1.006 49 L CA -0.549 54.340 54.840 0.082 0.000 0.832 49 L CB 0.700 42.819 42.059 0.100 0.000 1.421 49 L HN 0.607 nan 8.230 nan 0.000 0.410 53 A N 2.730 125.537 122.820 -0.023 0.000 2.343 53 A HA 0.608 4.929 4.320 0.001 0.000 0.308 53 A C 0.501 178.076 177.584 -0.015 0.000 1.092 53 A CA -0.057 51.966 52.037 -0.022 0.000 0.751 53 A CB 1.432 20.413 19.000 -0.031 0.000 1.203 53 A HN 0.827 nan 8.150 nan 0.000 0.452 54 S N 1.282 116.977 115.700 -0.009 0.000 2.524 54 S HA 0.232 4.703 4.470 0.001 0.000 0.215 54 S C 1.045 175.642 174.600 -0.004 0.000 0.986 54 S CA 0.703 58.900 58.200 -0.004 0.000 0.911 54 S CB 0.312 63.513 63.200 0.001 0.000 0.805 54 S HN 1.376 nan 8.310 nan 0.000 0.501 55 G N -0.184 108.612 108.800 -0.006 0.000 3.735 55 G HA2 0.643 4.604 3.960 0.001 0.000 0.283 55 G HA3 0.643 4.604 3.960 0.001 0.000 0.283 55 G C 0.352 175.251 174.900 -0.001 0.000 1.007 55 G CA 0.019 45.116 45.100 -0.004 0.000 0.821 55 G HN 0.894 nan 8.290 nan 0.000 0.505 56 G N -1.166 107.633 108.800 -0.001 0.000 2.452 56 G HA2 0.528 4.489 3.960 0.001 0.000 0.224 56 G HA3 0.528 4.489 3.960 0.001 0.000 0.224 56 G C -0.776 174.131 174.900 0.011 0.000 1.208 56 G CA 0.186 45.294 45.100 0.014 0.000 0.946 56 G HN 0.856 nan 8.290 nan 0.000 0.481 57 G N -0.844 107.984 108.800 0.047 0.000 2.542 57 G HA2 0.945 4.905 3.960 0.001 0.000 0.311 57 G HA3 0.945 4.905 3.960 0.001 0.000 0.311 57 G C -0.574 174.348 174.900 0.037 0.000 1.298 57 G CA 0.570 45.696 45.100 0.043 0.000 0.973 57 G HN 1.888 nan 8.290 nan 0.000 0.487 58 A N 0.757 123.576 122.820 -0.002 0.000 2.594 58 A HA 0.904 5.225 4.320 0.001 0.000 0.295 58 A C -1.223 176.357 177.584 -0.007 0.000 1.071 58 A CA -0.780 51.207 52.037 -0.083 0.000 0.685 58 A CB 1.297 20.224 19.000 -0.122 0.000 1.285 58 A HN 1.802 nan 8.150 nan 0.000 0.405 59 F N -0.135 119.687 119.950 -0.213 0.000 2.626 59 F HA 0.824 5.352 4.527 0.001 0.000 0.311 59 F C -1.284 174.391 175.800 -0.208 0.000 1.088 59 F CA -1.399 56.476 58.000 -0.209 0.000 0.949 59 F CB 1.282 40.146 39.000 -0.228 0.000 1.322 59 F HN 0.542 nan 8.300 nan 0.000 0.461 60 L N 2.738 123.971 121.223 0.018 0.000 2.307 60 L HA 0.810 5.150 4.340 0.001 0.000 0.282 60 L C -1.232 175.656 176.870 0.030 0.000 1.051 60 L CA -0.604 54.203 54.840 -0.056 0.000 0.804 60 L CB 1.609 43.661 42.059 -0.011 0.000 1.197 60 L HN 0.616 nan 8.230 nan 0.000 0.431 61 V N 6.445 126.329 119.914 -0.051 0.000 2.531 61 V HA 0.517 4.638 4.120 0.001 0.000 0.301 61 V C -0.314 175.800 176.094 0.035 0.000 1.034 61 V CA -0.520 61.801 62.300 0.034 0.000 0.865 61 V CB 1.606 33.396 31.823 -0.054 0.000 0.995 61 V HN 0.652 nan 8.190 nan 0.000 0.424 62 L N 5.848 127.140 121.223 0.115 0.000 2.381 62 L HA 0.589 4.929 4.340 0.001 0.000 0.268 62 L C -2.599 174.471 176.870 0.333 0.000 0.997 62 L CA -2.096 52.842 54.840 0.162 0.000 0.818 62 L CB 3.040 45.150 42.059 0.085 0.000 1.310 62 L HN 0.389 nan 8.230 nan 0.000 0.416 63 P HA 0.024 nan 4.420 nan 0.000 0.266 63 P C 0.874 178.250 177.300 0.127 0.000 1.195 63 P CA 0.023 63.237 63.100 0.191 0.000 0.768 63 P CB 0.669 32.435 31.700 0.110 0.000 0.838 64 L N 2.336 123.563 121.223 0.007 0.000 2.081 64 L HA -0.178 4.162 4.340 0.001 0.000 0.212 64 L C 2.314 179.306 176.870 0.204 0.000 1.080 64 L CA 2.112 57.022 54.840 0.118 0.000 0.754 64 L CB -0.991 41.065 42.059 -0.005 0.000 0.893 64 L HN 0.604 nan 8.230 nan 0.000 0.433 65 G N -0.877 107.975 108.800 0.086 0.000 2.598 65 G HA2 -0.141 3.820 3.960 0.001 0.000 0.215 65 G HA3 -0.141 3.820 3.960 0.001 0.000 0.215 65 G C 0.925 175.876 174.900 0.084 0.000 1.131 65 G CA 0.004 45.141 45.100 0.060 0.000 0.785 65 G HN 0.088 nan 8.290 nan 0.000 0.539 66 K N 2.468 122.969 120.400 0.168 0.000 2.502 66 K HA 0.133 4.453 4.320 0.001 0.000 0.244 66 K C 0.557 177.276 176.600 0.198 0.000 1.249 66 K CA -0.001 56.382 56.287 0.160 0.000 1.193 66 K CB -0.306 32.294 32.500 0.166 0.000 1.674 66 K HN 0.382 nan 8.250 nan 0.000 0.302 67 T N -2.338 112.221 114.554 0.007 0.000 2.847 67 T HA 0.702 5.053 4.350 0.001 0.000 0.279 67 T C 0.777 175.414 174.700 -0.104 0.000 0.984 67 T CA -0.037 61.917 62.100 -0.245 0.000 0.988 67 T CB 1.816 70.471 68.868 -0.356 0.000 1.040 67 T HN 0.557 nan 8.240 nan 0.000 0.528 68 G N 0.386 109.104 108.800 -0.136 0.000 2.526 68 G HA2 -0.087 3.874 3.960 0.001 0.000 0.250 68 G HA3 -0.087 3.874 3.960 0.001 0.000 0.250 68 G C -0.559 174.352 174.900 0.017 0.000 1.289 68 G CA -0.548 44.525 45.100 -0.045 0.000 0.947 68 G HN 0.919 nan 8.290 nan 0.000 0.517 69 R N -0.474 120.040 120.500 0.024 0.000 2.489 69 R HA 0.438 4.778 4.340 0.001 0.000 0.287 69 R C 0.258 176.594 176.300 0.060 0.000 1.053 69 R CA -0.306 55.819 56.100 0.042 0.000 1.036 69 R CB 0.370 30.687 30.300 0.028 0.000 0.966 69 R HN 0.518 nan 8.270 nan 0.000 0.432 70 V N 5.184 125.144 119.914 0.077 0.000 2.461 70 V HA 0.012 4.133 4.120 0.001 0.000 0.275 70 V C 0.635 176.758 176.094 0.047 0.000 1.047 70 V CA -0.403 61.943 62.300 0.077 0.000 0.955 70 V CB 1.220 33.099 31.823 0.093 0.000 0.988 70 V HN 0.833 nan 8.190 nan 0.000 0.471 71 D N 4.269 124.691 120.400 0.037 0.000 2.472 71 D HA -0.026 4.614 4.640 0.001 0.000 0.237 71 D C 1.266 177.576 176.300 0.016 0.000 1.141 71 D CA -0.084 53.930 54.000 0.023 0.000 0.875 71 D CB 1.005 41.816 40.800 0.018 0.000 1.192 71 D HN 0.763 nan 8.370 nan 0.000 0.450 72 K N 2.850 123.257 120.400 0.012 0.000 2.209 72 K HA -0.128 4.192 4.320 0.001 0.000 0.204 72 K C 0.667 177.265 176.600 -0.003 0.000 1.048 72 K CA 0.968 57.259 56.287 0.007 0.000 0.940 72 K CB 0.075 32.578 32.500 0.007 0.000 0.729 72 K HN 0.234 nan 8.250 nan 0.000 0.451 73 N N 1.702 120.400 118.700 -0.004 0.000 2.313 73 N HA 0.018 4.759 4.740 0.001 0.000 0.207 73 N C -0.270 175.230 175.510 -0.018 0.000 1.141 73 N CA -0.053 52.989 53.050 -0.012 0.000 0.830 73 N CB 0.611 39.093 38.487 -0.009 0.000 1.008 73 N HN 0.045 nan 8.380 nan 0.000 0.481 74 V N 3.561 123.466 119.914 -0.015 0.000 2.720 74 V HA 0.014 4.135 4.120 0.001 0.000 0.307 74 V C -1.879 174.185 176.094 -0.049 0.000 1.071 74 V CA -0.964 61.323 62.300 -0.021 0.000 1.199 74 V CB 0.425 32.243 31.823 -0.008 0.000 0.900 74 V HN 0.158 nan 8.190 nan 0.000 0.494 75 P HA 0.249 nan 4.420 nan 0.000 0.271 75 P C -0.837 176.375 177.300 -0.147 0.000 1.216 75 P CA 0.090 63.134 63.100 -0.093 0.000 0.771 75 P CB 0.658 32.309 31.700 -0.082 0.000 0.864 76 L N 1.966 123.069 121.223 -0.201 0.000 2.286 76 L HA 0.560 4.901 4.340 0.001 0.000 0.265 76 L C 0.668 177.251 176.870 -0.478 0.000 1.012 76 L CA -1.452 53.200 54.840 -0.314 0.000 0.818 76 L CB 1.504 43.401 42.059 -0.270 0.000 1.337 76 L HN 0.096 nan 8.230 nan 0.000 0.438 80 H N 1.707 120.885 119.070 0.180 0.000 2.871 80 H HA 0.273 4.830 4.556 0.001 0.000 0.355 80 H C 1.357 176.707 175.328 0.036 0.000 1.092 80 H CA 1.411 57.517 56.048 0.096 0.000 1.420 80 H CB 1.479 31.299 29.762 0.098 0.000 1.400 80 H HN 0.364 nan 8.280 nan 0.000 0.604 81 T N -0.686 113.964 114.554 0.160 0.000 3.092 81 T HA 0.579 4.929 4.350 0.001 0.000 0.258 81 T C 0.483 175.209 174.700 0.044 0.000 1.031 81 T CA 0.027 62.171 62.100 0.073 0.000 0.925 81 T CB 0.270 69.167 68.868 0.049 0.000 1.036 81 T HN 0.655 nan 8.240 nan 0.000 0.544 82 A N 1.108 123.952 122.820 0.039 0.000 2.599 82 A HA 0.775 5.096 4.320 0.001 0.000 0.290 82 A C -3.208 174.338 177.584 -0.063 0.000 1.101 82 A CA -1.941 50.085 52.037 -0.018 0.000 0.674 82 A CB 0.503 19.481 19.000 -0.036 0.000 1.277 82 A HN 0.050 nan 8.150 nan 0.000 0.419 83 P HA 0.189 nan 4.420 nan 0.000 0.264 83 P C -0.381 176.778 177.300 -0.235 0.000 1.183 83 P CA 0.202 63.220 63.100 -0.137 0.000 0.763 83 P CB 0.368 31.993 31.700 -0.125 0.000 0.807 84 V N 5.037 124.805 119.914 -0.243 0.000 2.614 84 V HA 0.057 4.178 4.120 0.001 0.000 0.291 84 V C 1.556 177.414 176.094 -0.394 0.000 1.049 84 V CA 0.464 62.567 62.300 -0.329 0.000 1.038 84 V CB 0.604 32.313 31.823 -0.189 0.000 0.980 84 V HN 0.527 nan 8.190 nan 0.000 0.481 85 L N 1.868 122.840 121.223 -0.419 0.000 2.642 85 L HA 0.448 4.789 4.340 0.001 0.000 0.233 85 L C 0.068 176.837 176.870 -0.169 0.000 1.077 85 L CA 0.405 54.976 54.840 -0.449 0.000 0.879 85 L CB 0.546 42.104 42.059 -0.835 0.000 1.151 85 L HN 0.637 nan 8.230 nan 0.000 0.495 86 D N 0.086 120.387 120.400 -0.165 0.000 2.837 86 D HA 0.508 5.148 4.640 0.001 0.000 0.220 86 D C -1.274 174.928 176.300 -0.164 0.000 1.236 86 D CA -0.323 53.659 54.000 -0.030 0.000 0.838 86 D CB 2.227 43.077 40.800 0.083 0.000 1.647 86 D HN 0.081 nan 8.370 nan 0.000 0.486 87 I N -0.545 119.927 120.570 -0.163 0.000 2.730 87 I HA 0.988 5.159 4.170 0.001 0.000 0.298 87 I C -1.213 174.818 176.117 -0.143 0.000 1.089 87 I CA -1.121 59.990 61.300 -0.315 0.000 1.041 87 I CB 2.289 39.900 38.000 -0.648 0.000 1.235 87 I HN 0.427 nan 8.210 nan 0.000 0.423 88 A N 3.915 126.664 122.820 -0.118 0.000 2.488 88 A HA 0.637 4.958 4.320 0.001 0.000 0.295 88 A C -1.602 176.108 177.584 0.211 0.000 1.045 88 A CA -0.540 51.571 52.037 0.123 0.000 0.703 88 A CB 0.605 19.771 19.000 0.278 0.000 1.271 88 A HN 0.815 nan 8.150 nan 0.000 0.400 92 H N 0.250 119.216 119.070 -0.173 0.000 2.594 92 H HA 0.391 4.948 4.556 0.001 0.000 0.279 92 H C 0.092 175.355 175.328 -0.110 0.000 1.042 92 H CA -0.106 55.872 56.048 -0.117 0.000 1.177 92 H CB 0.591 30.293 29.762 -0.100 0.000 1.524 92 H HN -0.024 nan 8.280 nan 0.000 0.537 93 N N 0.570 119.224 118.700 -0.076 0.000 2.697 93 N HA -0.018 4.722 4.740 0.001 0.000 0.271 93 N C -0.928 174.585 175.510 0.005 0.000 1.149 93 N CA -0.183 52.850 53.050 -0.028 0.000 0.939 93 N CB 1.238 39.710 38.487 -0.026 0.000 1.534 93 N HN -0.015 nan 8.380 nan 0.000 0.556 94 D N 1.623 122.026 120.400 0.005 0.000 2.378 94 D HA 0.053 4.693 4.640 0.001 0.000 0.227 94 D C 0.284 176.676 176.300 0.154 0.000 1.012 94 D CA 0.709 54.694 54.000 -0.024 0.000 0.905 94 D CB 0.205 40.922 40.800 -0.138 0.000 0.895 94 D HN 0.531 nan 8.370 nan 0.000 0.532 95 N N -0.971 117.879 118.700 0.249 0.000 2.203 95 N HA 0.075 4.815 4.740 0.001 0.000 0.207 95 N C -0.696 175.051 175.510 0.395 0.000 1.130 95 N CA 0.005 53.286 53.050 0.385 0.000 0.861 95 N CB 1.422 40.068 38.487 0.266 0.000 1.005 95 N HN -0.138 nan 8.380 nan 0.000 0.507 96 V N 1.450 121.594 119.914 0.384 0.000 2.487 96 V HA 0.491 4.611 4.120 0.001 0.000 0.298 96 V C -0.616 175.638 176.094 0.266 0.000 1.028 96 V CA -0.926 61.528 62.300 0.257 0.000 0.860 96 V CB 2.181 34.040 31.823 0.061 0.000 0.991 96 V HN 0.053 nan 8.190 nan 0.000 0.427 97 I N 3.386 124.056 120.570 0.168 0.000 2.686 97 I HA 0.875 5.046 4.170 0.001 0.000 0.295 97 I C -0.260 176.036 176.117 0.299 0.000 1.114 97 I CA -0.545 60.732 61.300 -0.038 0.000 1.038 97 I CB 1.985 39.438 38.000 -0.913 0.000 1.238 97 I HN 0.712 nan 8.210 nan 0.000 0.420 98 A N 4.684 127.695 122.820 0.317 0.000 2.324 98 A HA 0.827 5.148 4.320 0.001 0.000 0.330 98 A C -0.697 176.892 177.584 0.009 0.000 1.165 98 A CA -0.353 51.780 52.037 0.160 0.000 0.813 98 A CB 1.155 20.088 19.000 -0.111 0.000 1.197 98 A HN 0.733 nan 8.150 nan 0.000 0.484 99 S N 0.744 116.513 115.700 0.115 0.000 2.526 99 S HA 0.827 5.298 4.470 0.001 0.000 0.293 99 S C -0.099 174.523 174.600 0.038 0.000 1.092 99 S CA -0.172 58.050 58.200 0.036 0.000 0.980 99 S CB 1.676 65.048 63.200 0.285 0.000 1.048 99 S HN 1.528 nan 8.310 nan 0.000 0.483 100 G N 0.184 108.904 108.800 -0.134 0.000 2.416 100 G HA2 0.639 4.600 3.960 0.001 0.000 0.329 100 G HA3 0.639 4.600 3.960 0.001 0.000 0.329 100 G C -0.898 173.779 174.900 -0.371 0.000 1.173 100 G CA -0.708 44.276 45.100 -0.193 0.000 0.929 100 G HN 0.934 nan 8.290 nan 0.000 0.475 101 S N 0.203 115.656 115.700 -0.412 0.000 2.595 101 S HA 0.327 4.797 4.470 0.001 0.000 0.281 101 S C 0.776 175.188 174.600 -0.314 0.000 1.117 101 S CA -0.538 57.366 58.200 -0.494 0.000 0.873 101 S CB 1.826 64.522 63.200 -0.841 0.000 1.108 101 S HN 0.611 nan 8.310 nan 0.000 0.477 102 E N 0.715 120.742 120.200 -0.290 0.000 2.331 102 E HA -0.166 4.184 4.350 0.001 0.000 0.199 102 E C 0.574 177.108 176.600 -0.110 0.000 1.008 102 E CA 1.336 57.616 56.400 -0.200 0.000 0.843 102 E CB -0.141 29.455 29.700 -0.173 0.000 0.761 102 E HN 0.726 nan 8.360 nan 0.000 0.507 103 D N -0.840 119.509 120.400 -0.084 0.000 2.363 103 D HA -0.077 4.564 4.640 0.001 0.000 0.226 103 D C 0.548 176.855 176.300 0.012 0.000 1.020 103 D CA 0.120 54.117 54.000 -0.006 0.000 0.892 103 D CB -0.317 40.520 40.800 0.062 0.000 0.900 103 D HN 0.181 nan 8.370 nan 0.000 0.531 104 C N -0.819 118.470 119.300 -0.018 0.000 4.933 104 C HA -0.149 4.312 4.460 0.001 0.000 0.249 104 C C 0.858 175.893 174.990 0.076 0.000 1.406 104 C CA 0.652 59.687 59.018 0.028 0.000 1.505 104 C CB -3.062 24.716 27.740 0.063 0.000 1.870 104 C HN 0.730 nan 8.230 nan 0.000 0.651 105 T N -2.098 112.493 114.554 0.061 0.000 2.952 105 T HA 0.728 5.079 4.350 0.001 0.000 0.286 105 T C -0.508 174.231 174.700 0.065 0.000 1.024 105 T CA -0.575 61.567 62.100 0.069 0.000 1.029 105 T CB 2.088 70.997 68.868 0.067 0.000 1.094 105 T HN 0.437 nan 8.240 nan 0.000 0.515 106 V N 2.477 122.361 119.914 -0.051 0.000 2.495 106 V HA 0.530 4.651 4.120 0.001 0.000 0.298 106 V C -0.172 175.810 176.094 -0.186 0.000 1.031 106 V CA -0.796 61.444 62.300 -0.100 0.000 0.871 106 V CB 1.460 33.118 31.823 -0.274 0.000 0.988 106 V HN 0.921 nan 8.190 nan 0.000 0.432 107 M N 4.330 123.870 119.600 -0.102 0.000 2.465 107 M HA 0.629 5.110 4.480 0.001 0.000 0.316 107 M C -1.205 174.807 176.300 -0.481 0.000 1.121 107 M CA -0.797 54.244 55.300 -0.433 0.000 0.934 107 M CB 2.399 34.582 32.600 -0.696 0.000 1.692 107 M HN 0.345 nan 8.290 nan 0.000 0.444 108 V N 1.926 121.485 119.914 -0.591 0.000 2.417 108 V HA 0.470 4.591 4.120 0.001 0.000 0.291 108 V C -1.373 174.464 176.094 -0.427 0.000 1.024 108 V CA -0.501 61.622 62.300 -0.296 0.000 0.861 108 V CB 1.259 33.039 31.823 -0.072 0.000 0.985 108 V HN 0.803 nan 8.190 nan 0.000 0.436 109 W N 1.991 123.331 121.300 0.067 0.000 2.689 109 W HA 0.658 5.319 4.660 0.001 0.000 0.340 109 W C 0.012 176.559 176.519 0.047 0.000 1.060 109 W CA -0.557 56.807 57.345 0.032 0.000 1.218 109 W CB 1.427 30.907 29.460 0.032 0.000 1.410 109 W HN 0.479 nan 8.180 nan 0.000 0.528 110 E N 2.478 122.835 120.200 0.262 0.000 2.158 110 E HA 0.386 4.737 4.350 0.001 0.000 0.271 110 E C -0.969 175.720 176.600 0.148 0.000 0.911 110 E CA -0.585 55.927 56.400 0.186 0.000 0.767 110 E CB 0.875 30.650 29.700 0.126 0.000 1.120 110 E HN 0.237 nan 8.360 nan 0.000 0.405 111 I N 5.976 126.616 120.570 0.117 0.000 2.336 111 I HA 0.317 4.488 4.170 0.001 0.000 0.292 111 I C -2.179 173.978 176.117 0.068 0.000 0.991 111 I CA -3.041 58.254 61.300 -0.010 0.000 1.227 111 I CB 0.653 38.483 38.000 -0.283 0.000 1.366 111 I HN 0.405 nan 8.210 nan 0.000 0.466 112 P HA 0.083 nan 4.420 nan 0.000 0.269 112 P C -0.487 176.957 177.300 0.239 0.000 1.209 112 P CA -0.222 62.951 63.100 0.122 0.000 0.776 112 P CB 0.549 32.296 31.700 0.078 0.000 0.876 113 D N 1.134 121.663 120.400 0.216 0.000 2.472 113 D HA 0.207 4.848 4.640 0.001 0.000 0.237 113 D C 1.634 178.034 176.300 0.166 0.000 1.141 113 D CA 1.641 55.765 54.000 0.206 0.000 0.875 113 D CB 0.187 41.036 40.800 0.083 0.000 1.192 113 D HN 0.690 nan 8.370 nan 0.000 0.450 114 G N 0.781 109.677 108.800 0.160 0.000 2.225 114 G HA2 -0.071 3.890 3.960 0.001 0.000 0.254 114 G HA3 -0.071 3.890 3.960 0.001 0.000 0.254 114 G C 0.757 175.768 174.900 0.186 0.000 0.988 114 G CA 0.262 45.438 45.100 0.126 0.000 0.625 114 G HN 1.339 nan 8.290 nan 0.000 0.527 115 G N -0.985 107.991 108.800 0.295 0.000 2.698 115 G HA2 0.064 4.025 3.960 0.001 0.000 0.225 115 G HA3 0.064 4.025 3.960 0.001 0.000 0.225 115 G C -0.058 174.879 174.900 0.062 0.000 1.345 115 G CA -0.293 44.934 45.100 0.211 0.000 0.871 115 G HN 1.257 nan 8.290 nan 0.000 0.540 116 L N 0.011 121.230 121.223 -0.006 0.000 2.397 116 L HA 0.330 4.671 4.340 0.001 0.000 0.271 116 L C 1.690 178.553 176.870 -0.011 0.000 1.148 116 L CA -0.646 54.172 54.840 -0.036 0.000 0.825 116 L CB 1.098 43.100 42.059 -0.095 0.000 1.117 116 L HN 0.435 nan 8.230 nan 0.000 0.456 117 V N 3.753 123.661 119.914 -0.011 0.000 2.922 117 V HA 0.158 4.279 4.120 0.001 0.000 0.242 117 V C 0.537 176.619 176.094 -0.019 0.000 1.094 117 V CA 0.693 62.989 62.300 -0.006 0.000 1.106 117 V CB 0.285 32.109 31.823 0.003 0.000 0.799 117 V HN 0.490 nan 8.190 nan 0.000 0.474 118 L N -0.518 120.686 121.223 -0.031 0.000 2.327 118 L HA 0.525 4.865 4.340 0.001 0.000 0.258 118 L C -2.725 174.104 176.870 -0.068 0.000 1.024 118 L CA -2.105 52.711 54.840 -0.040 0.000 0.825 118 L CB 1.729 43.772 42.059 -0.027 0.000 1.386 118 L HN -0.082 nan 8.230 nan 0.000 0.417 119 P HA 0.001 nan 4.420 nan 0.000 0.264 119 P C -0.907 176.323 177.300 -0.117 0.000 1.183 119 P CA -0.135 62.892 63.100 -0.120 0.000 0.763 119 P CB 0.400 32.038 31.700 -0.103 0.000 0.807 120 L N 4.831 125.940 121.223 -0.189 0.000 2.255 120 L HA 0.266 4.607 4.340 0.001 0.000 0.289 120 L C 0.950 177.760 176.870 -0.100 0.000 1.046 120 L CA 0.370 55.128 54.840 -0.136 0.000 0.816 120 L CB 0.167 42.097 42.059 -0.215 0.000 1.197 120 L HN 0.290 nan 8.230 nan 0.000 0.427 121 R N 2.209 122.740 120.500 0.052 0.000 2.279 121 R HA 0.195 4.535 4.340 0.001 0.000 0.195 121 R C -0.302 176.132 176.300 0.224 0.000 0.905 121 R CA -0.090 56.071 56.100 0.103 0.000 1.044 121 R CB 0.676 30.993 30.300 0.028 0.000 1.056 121 R HN 0.505 nan 8.270 nan 0.000 0.535 122 E N 2.642 122.965 120.200 0.205 0.000 2.129 122 E HA 0.226 4.576 4.350 0.001 0.000 0.268 122 E C -2.397 174.185 176.600 -0.030 0.000 0.900 122 E CA -2.820 53.614 56.400 0.057 0.000 0.755 122 E CB 1.260 30.965 29.700 0.009 0.000 1.117 122 E HN -0.122 nan 8.360 nan 0.000 0.410 123 P HA 0.036 nan 4.420 nan 0.000 0.276 123 P C 0.565 177.637 177.300 -0.380 0.000 1.261 123 P CA -0.429 62.170 63.100 -0.833 0.000 0.800 123 P CB 1.208 32.031 31.700 -1.461 0.000 1.066 124 V N 0.277 120.015 119.914 -0.294 0.000 2.343 124 V HA -0.106 4.014 4.120 0.001 0.000 0.247 124 V C 1.481 177.466 176.094 -0.182 0.000 1.051 124 V CA 1.749 63.955 62.300 -0.157 0.000 1.036 124 V CB -0.748 31.032 31.823 -0.072 0.000 0.654 124 V HN 0.511 nan 8.190 nan 0.000 0.451 125 I N -1.660 118.748 120.570 -0.269 0.000 2.752 125 I HA 0.430 4.601 4.170 0.001 0.000 0.295 125 I C -0.717 175.185 176.117 -0.359 0.000 1.219 125 I CA 0.104 61.254 61.300 -0.251 0.000 1.030 125 I CB 2.470 40.367 38.000 -0.171 0.000 1.259 125 I HN -0.102 nan 8.210 nan 0.000 0.423 126 T N 7.404 121.771 114.554 -0.312 0.000 2.797 126 T HA 0.599 4.950 4.350 0.001 0.000 0.279 126 T C -0.641 173.854 174.700 -0.342 0.000 0.991 126 T CA -0.387 61.514 62.100 -0.332 0.000 0.979 126 T CB 0.860 69.575 68.868 -0.255 0.000 0.943 126 T HN 0.345 nan 8.240 nan 0.000 0.444 127 L N 3.569 124.495 121.223 -0.495 0.000 2.276 127 L HA 0.485 4.826 4.340 0.001 0.000 0.286 127 L C 0.253 176.834 176.870 -0.481 0.000 1.024 127 L CA -0.590 53.751 54.840 -0.833 0.000 0.826 127 L CB 0.956 41.932 42.059 -1.805 0.000 1.211 127 L HN 0.564 nan 8.230 nan 0.000 0.422 128 E N 2.272 122.388 120.200 -0.139 0.000 2.145 128 E HA 0.568 4.919 4.350 0.001 0.000 0.270 128 E C 0.458 177.218 176.600 0.267 0.000 0.906 128 E CA -0.209 56.231 56.400 0.067 0.000 0.761 128 E CB 2.126 31.848 29.700 0.037 0.000 1.116 128 E HN 0.822 nan 8.360 nan 0.000 0.408 129 G N 2.716 111.670 108.800 0.256 0.000 4.195 129 G HA2 -0.070 3.891 3.960 0.001 0.000 0.150 129 G HA3 -0.070 3.891 3.960 0.001 0.000 0.150 129 G C 0.025 174.932 174.900 0.012 0.000 1.058 129 G CA -0.399 44.788 45.100 0.146 0.000 0.859 129 G HN 0.464 nan 8.290 nan 0.000 0.547 130 H N 1.430 120.605 119.070 0.175 0.000 2.707 130 H HA 0.321 4.878 4.556 0.001 0.000 0.359 130 H C 1.211 176.577 175.328 0.063 0.000 1.113 130 H CA 1.280 57.390 56.048 0.103 0.000 1.422 130 H CB 1.704 31.526 29.762 0.100 0.000 1.443 130 H HN 0.228 nan 8.280 nan 0.000 0.591 131 T N -0.598 114.058 114.554 0.170 0.000 3.054 131 T HA 0.256 4.606 4.350 0.001 0.000 0.255 131 T C 0.572 175.319 174.700 0.077 0.000 1.035 131 T CA -0.149 62.009 62.100 0.096 0.000 0.941 131 T CB 0.801 69.707 68.868 0.063 0.000 1.026 131 T HN 0.357 nan 8.240 nan 0.000 0.533 132 K N 1.199 121.652 120.400 0.088 0.000 2.439 132 K HA 0.524 4.844 4.320 0.001 0.000 0.260 132 K C -0.664 175.934 176.600 -0.004 0.000 1.032 132 K CA -1.330 54.980 56.287 0.038 0.000 0.882 132 K CB 2.144 34.666 32.500 0.037 0.000 1.420 132 K HN 0.227 nan 8.250 nan 0.000 0.455 133 R N -0.065 120.401 120.500 -0.055 0.000 2.638 133 R HA 0.087 4.428 4.340 0.001 0.000 0.268 133 R C -0.581 175.604 176.300 -0.192 0.000 1.006 133 R CA -0.282 55.730 56.100 -0.146 0.000 1.088 133 R CB -0.173 29.994 30.300 -0.222 0.000 0.950 133 R HN 0.087 nan 8.270 nan 0.000 0.419 134 V N 3.222 122.989 119.914 -0.245 0.000 2.328 134 V HA 0.354 4.475 4.120 0.001 0.000 0.278 134 V C 0.918 176.861 176.094 -0.252 0.000 1.021 134 V CA 0.069 62.208 62.300 -0.269 0.000 0.838 134 V CB 1.336 33.009 31.823 -0.251 0.000 0.999 134 V HN 1.064 nan 8.190 nan 0.000 0.447 135 G N 4.968 113.712 108.800 -0.094 0.000 3.377 135 G HA2 0.424 4.385 3.960 0.001 0.000 0.257 135 G HA3 0.424 4.385 3.960 0.001 0.000 0.257 135 G C 0.079 175.196 174.900 0.360 0.000 1.038 135 G CA 0.081 45.242 45.100 0.101 0.000 0.809 135 G HN 0.559 nan 8.290 nan 0.000 0.526 136 I N 1.508 122.161 120.570 0.139 0.000 2.512 136 I HA 0.388 4.559 4.170 0.001 0.000 0.287 136 I C -0.817 175.317 176.117 0.028 0.000 1.069 136 I CA -1.235 60.126 61.300 0.102 0.000 1.056 136 I CB 2.473 40.506 38.000 0.056 0.000 1.229 136 I HN -0.100 nan 8.210 nan 0.000 0.429 137 V N 2.689 122.618 119.914 0.024 0.000 2.735 137 V HA 1.020 5.141 4.120 0.001 0.000 0.310 137 V C -0.472 175.632 176.094 0.017 0.000 1.061 137 V CA -0.572 61.715 62.300 -0.022 0.000 0.913 137 V CB 1.750 33.507 31.823 -0.109 0.000 1.005 137 V HN 0.831 nan 8.190 nan 0.000 0.428 138 A N 3.529 126.370 122.820 0.035 0.000 2.466 138 A HA 0.691 5.012 4.320 0.001 0.000 0.284 138 A C -1.277 176.503 177.584 0.325 0.000 1.049 138 A CA -0.545 51.622 52.037 0.216 0.000 0.760 138 A CB 0.603 19.758 19.000 0.258 0.000 1.274 138 A HN 0.924 nan 8.150 nan 0.000 0.412 139 W N 2.394 123.852 121.300 0.263 0.000 2.190 139 W HA 0.272 4.932 4.660 0.001 0.000 0.330 139 W C 1.122 177.592 176.519 -0.080 0.000 1.299 139 W CA 0.620 58.047 57.345 0.138 0.000 1.215 139 W CB 0.405 29.890 29.460 0.042 0.000 1.147 139 W HN 0.657 nan 8.180 nan 0.000 0.563 140 H N 5.775 124.715 119.070 -0.217 0.000 2.928 140 H HA -0.019 4.538 4.556 0.001 0.000 0.338 140 H C -1.273 173.781 175.328 -0.456 0.000 1.047 140 H CA -0.673 54.758 56.048 -1.029 0.000 1.435 140 H CB 1.320 30.439 29.762 -1.071 0.000 1.428 140 H HN 0.192 nan 8.280 nan 0.000 0.590 141 P HA -0.073 nan 4.420 nan 0.000 0.225 141 P C 0.943 178.339 177.300 0.159 0.000 1.156 141 P CA 1.426 64.437 63.100 -0.149 0.000 0.787 141 P CB 0.416 32.016 31.700 -0.167 0.000 0.802 142 T N -5.425 109.271 114.554 0.237 0.000 2.993 142 T HA 0.461 4.812 4.350 0.001 0.000 0.260 142 T C 0.700 175.378 174.700 -0.038 0.000 0.939 142 T CA 0.015 62.204 62.100 0.149 0.000 0.886 142 T CB -0.256 68.669 68.868 0.095 0.000 1.209 142 T HN 0.047 nan 8.240 nan 0.000 0.518 143 A N 2.015 124.746 122.820 -0.148 0.000 2.260 143 A HA 0.634 4.955 4.320 0.001 0.000 0.314 143 A C 0.114 177.562 177.584 -0.227 0.000 1.257 143 A CA -0.611 51.179 52.037 -0.412 0.000 0.871 143 A CB 0.599 18.968 19.000 -1.052 0.000 1.166 143 A HN 0.498 nan 8.150 nan 0.000 0.522 144 Q N 2.278 121.984 119.800 -0.157 0.000 2.308 144 Q HA -0.067 4.273 4.340 0.001 0.000 0.313 144 Q C -0.001 176.023 176.000 0.041 0.000 1.075 144 Q CA 1.035 56.805 55.803 -0.055 0.000 0.995 144 Q CB 0.034 28.738 28.738 -0.057 0.000 1.107 144 Q HN 0.818 nan 8.270 nan 0.000 0.380 145 N N 1.015 119.810 118.700 0.159 0.000 2.909 145 N HA -0.175 4.566 4.740 0.001 0.000 0.242 145 N C -1.285 174.384 175.510 0.265 0.000 0.975 145 N CA 0.951 54.150 53.050 0.248 0.000 0.921 145 N CB -1.239 37.346 38.487 0.163 0.000 1.112 145 N HN 0.298 nan 8.380 nan 0.000 0.581 146 V N 1.279 121.296 119.914 0.172 0.000 2.432 146 V HA 0.531 4.652 4.120 0.001 0.000 0.275 146 V C 0.289 176.497 176.094 0.189 0.000 1.043 146 V CA -0.550 61.800 62.300 0.084 0.000 0.925 146 V CB 1.592 33.237 31.823 -0.297 0.000 0.985 146 V HN 0.202 nan 8.190 nan 0.000 0.466 147 L N 6.189 127.524 121.223 0.186 0.000 2.436 147 L HA 0.663 5.004 4.340 0.001 0.000 0.268 147 L C -1.014 176.037 176.870 0.303 0.000 0.974 147 L CA -0.254 54.618 54.840 0.054 0.000 0.826 147 L CB 1.815 43.653 42.059 -0.367 0.000 1.291 147 L HN 0.635 nan 8.230 nan 0.000 0.406 148 L N 4.165 125.595 121.223 0.345 0.000 2.322 148 L HA 0.868 5.209 4.340 0.001 0.000 0.279 148 L C -0.520 176.489 176.870 0.230 0.000 1.036 148 L CA 0.027 55.061 54.840 0.325 0.000 0.807 148 L CB 1.683 43.899 42.059 0.261 0.000 1.226 148 L HN 0.895 nan 8.230 nan 0.000 0.433 149 S N 3.372 119.254 115.700 0.303 0.000 2.570 149 S HA 0.939 5.410 4.470 0.001 0.000 0.286 149 S C -0.812 173.907 174.600 0.200 0.000 1.099 149 S CA -0.584 57.772 58.200 0.260 0.000 0.913 149 S CB 1.948 65.424 63.200 0.461 0.000 1.085 149 S HN 0.928 nan 8.310 nan 0.000 0.480 150 A N 1.062 123.888 122.820 0.010 0.000 2.374 150 A HA 0.921 5.242 4.320 0.001 0.000 0.305 150 A C 0.119 177.567 177.584 -0.226 0.000 1.053 150 A CA -0.434 51.574 52.037 -0.049 0.000 0.726 150 A CB 1.237 20.192 19.000 -0.074 0.000 1.229 150 A HN 1.409 nan 8.150 nan 0.000 0.431 154 N N -0.233 118.499 118.700 0.053 0.000 2.741 154 N HA -0.119 4.622 4.740 0.001 0.000 0.250 154 N C -0.666 174.887 175.510 0.073 0.000 1.115 154 N CA 0.962 54.033 53.050 0.034 0.000 0.724 154 N CB -1.690 36.812 38.487 0.025 0.000 1.090 154 N HN 0.385 nan 8.380 nan 0.000 0.558 155 V N 1.176 121.159 119.914 0.115 0.000 2.483 155 V HA 0.496 4.616 4.120 0.001 0.000 0.295 155 V C 0.859 177.059 176.094 0.178 0.000 1.035 155 V CA -0.656 61.719 62.300 0.125 0.000 0.896 155 V CB 2.199 34.082 31.823 0.100 0.000 0.986 155 V HN 0.083 nan 8.190 nan 0.000 0.447 156 I N 5.524 126.154 120.570 0.100 0.000 2.354 156 I HA 0.443 4.613 4.170 0.001 0.000 0.292 156 I C -0.603 175.513 176.117 -0.001 0.000 0.989 156 I CA -0.297 61.052 61.300 0.082 0.000 1.188 156 I CB 1.381 39.388 38.000 0.012 0.000 1.342 156 I HN 0.334 nan 8.210 nan 0.000 0.457 157 L N 6.768 127.980 121.223 -0.017 0.000 2.334 157 L HA 0.644 4.984 4.340 0.001 0.000 0.276 157 L C -0.674 176.020 176.870 -0.293 0.000 1.014 157 L CA -0.963 53.681 54.840 -0.326 0.000 0.815 157 L CB 2.175 43.814 42.059 -0.700 0.000 1.268 157 L HN 0.247 nan 8.230 nan 0.000 0.428 158 V N 0.879 120.589 119.914 -0.340 0.000 2.495 158 V HA 0.439 4.559 4.120 0.001 0.000 0.298 158 V C -1.107 174.856 176.094 -0.217 0.000 1.031 158 V CA -0.566 61.694 62.300 -0.067 0.000 0.871 158 V CB 1.642 33.597 31.823 0.220 0.000 0.988 158 V HN 0.607 nan 8.190 nan 0.000 0.432 159 W N 1.484 122.846 121.300 0.104 0.000 2.689 159 W HA 0.554 5.215 4.660 0.001 0.000 0.340 159 W C -0.317 176.246 176.519 0.073 0.000 1.060 159 W CA -0.580 56.800 57.345 0.060 0.000 1.218 159 W CB 1.143 30.607 29.460 0.006 0.000 1.410 159 W HN 0.431 nan 8.180 nan 0.000 0.528 160 D N 1.593 122.180 120.400 0.311 0.000 2.412 160 D HA 0.100 4.741 4.640 0.001 0.000 0.224 160 D C 0.901 177.325 176.300 0.206 0.000 1.093 160 D CA -0.293 53.839 54.000 0.219 0.000 0.850 160 D CB 1.668 42.566 40.800 0.164 0.000 1.046 160 D HN 0.320 nan 8.370 nan 0.000 0.507 161 V N 2.517 122.549 119.914 0.196 0.000 3.141 161 V HA 0.140 4.261 4.120 0.001 0.000 0.265 161 V C 1.775 177.936 176.094 0.113 0.000 1.126 161 V CA 1.498 63.884 62.300 0.143 0.000 1.141 161 V CB -0.398 31.536 31.823 0.184 0.000 0.743 161 V HN 0.469 nan 8.190 nan 0.000 0.492 162 G N 1.185 110.056 108.800 0.118 0.000 2.448 162 G HA2 -0.122 3.839 3.960 0.001 0.000 0.218 162 G HA3 -0.122 3.839 3.960 0.001 0.000 0.218 162 G C 1.550 176.490 174.900 0.068 0.000 1.135 162 G CA 1.459 46.610 45.100 0.085 0.000 0.784 162 G HN 0.719 nan 8.290 nan 0.000 0.543 163 T N -4.387 110.216 114.554 0.081 0.000 2.985 163 T HA 0.399 4.749 4.350 0.001 0.000 0.254 163 T C 1.886 176.630 174.700 0.074 0.000 1.021 163 T CA 0.941 63.082 62.100 0.070 0.000 0.957 163 T CB 0.457 69.370 68.868 0.075 0.000 1.047 163 T HN 1.258 nan 8.240 nan 0.000 0.511 164 G N 1.623 110.478 108.800 0.092 0.000 2.184 164 G HA2 -0.074 3.887 3.960 0.001 0.000 0.264 164 G HA3 -0.074 3.887 3.960 0.001 0.000 0.264 164 G C 0.326 175.357 174.900 0.218 0.000 0.975 164 G CA 0.016 45.173 45.100 0.095 0.000 0.642 164 G HN 1.252 nan 8.290 nan 0.000 0.536 165 A N 0.053 123.006 122.820 0.222 0.000 2.354 165 A HA 0.847 5.167 4.320 0.001 0.000 0.269 165 A C 0.796 178.554 177.584 0.290 0.000 1.109 165 A CA 0.785 52.953 52.037 0.218 0.000 0.800 165 A CB 0.778 19.849 19.000 0.118 0.000 1.045 165 A HN 2.031 nan 8.150 nan 0.000 0.489 166 A N 1.632 124.517 122.820 0.108 0.000 2.396 166 A HA 0.453 4.774 4.320 0.001 0.000 0.279 166 A C 0.960 178.438 177.584 -0.178 0.000 1.165 166 A CA 0.202 52.025 52.037 -0.356 0.000 0.824 166 A CB -0.211 18.410 19.000 -0.632 0.000 1.100 166 A HN 1.901 nan 8.150 nan 0.000 0.516 167 V N 1.150 120.980 119.914 -0.140 0.000 3.523 167 V HA 0.449 4.570 4.120 0.001 0.000 0.255 167 V C 0.250 176.321 176.094 -0.039 0.000 1.226 167 V CA 0.361 62.641 62.300 -0.033 0.000 1.092 167 V CB -1.044 30.819 31.823 0.066 0.000 0.817 167 V HN 0.556 nan 8.190 nan 0.000 0.458 168 L N 0.142 121.315 121.223 -0.083 0.000 2.424 168 L HA 0.782 5.122 4.340 0.001 0.000 0.258 168 L C -0.764 176.025 176.870 -0.135 0.000 0.995 168 L CA -0.280 54.527 54.840 -0.056 0.000 0.821 168 L CB 2.561 44.652 42.059 0.053 0.000 1.383 168 L HN -0.055 nan 8.230 nan 0.000 0.410 169 T N 2.613 117.107 114.554 -0.100 0.000 2.928 169 T HA 0.576 4.927 4.350 0.001 0.000 0.296 169 T C -0.769 173.899 174.700 -0.054 0.000 1.000 169 T CA -0.441 61.590 62.100 -0.114 0.000 0.989 169 T CB 1.466 70.257 68.868 -0.128 0.000 1.005 169 T HN 0.272 nan 8.240 nan 0.000 0.442 170 L N 2.920 124.128 121.223 -0.025 0.000 2.298 170 L HA 0.664 5.004 4.340 0.001 0.000 0.284 170 L C 1.035 177.918 176.870 0.022 0.000 1.013 170 L CA -0.806 54.039 54.840 0.008 0.000 0.824 170 L CB 1.335 43.428 42.059 0.057 0.000 1.221 170 L HN 0.778 nan 8.230 nan 0.000 0.418 171 G N 2.574 111.373 108.800 -0.003 0.000 2.543 171 G HA2 0.347 4.307 3.960 0.001 0.000 0.290 171 G HA3 0.347 4.307 3.960 0.001 0.000 0.290 171 G C -2.034 172.876 174.900 0.016 0.000 1.310 171 G CA -1.057 44.043 45.100 0.001 0.000 1.025 171 G HN 0.435 nan 8.290 nan 0.000 0.502 172 P HA 0.024 nan 4.420 nan 0.000 0.239 172 P C 1.050 178.338 177.300 -0.021 0.000 1.184 172 P CA 0.860 63.966 63.100 0.011 0.000 0.760 172 P CB 0.167 31.872 31.700 0.008 0.000 0.884 173 D N -0.968 119.410 120.400 -0.036 0.000 2.269 173 D HA -0.072 4.569 4.640 0.001 0.000 0.208 173 D C 1.477 177.715 176.300 -0.102 0.000 0.963 173 D CA 0.834 54.799 54.000 -0.058 0.000 0.864 173 D CB -0.605 40.164 40.800 -0.053 0.000 0.936 173 D HN 0.076 nan 8.370 nan 0.000 0.505 174 V N -0.110 119.724 119.914 -0.134 0.000 2.436 174 V HA -0.015 4.106 4.120 0.001 0.000 0.240 174 V C 0.279 176.087 176.094 -0.477 0.000 1.040 174 V CA 0.831 62.953 62.300 -0.298 0.000 1.052 174 V CB -0.532 31.112 31.823 -0.298 0.000 0.707 174 V HN 0.190 nan 8.190 nan 0.000 0.469 175 H N 1.120 120.152 119.070 -0.063 0.000 2.786 175 H HA 0.312 4.869 4.556 0.001 0.000 0.284 175 H C -2.026 173.258 175.328 -0.074 0.000 1.104 175 H CA -1.734 54.266 56.048 -0.080 0.000 1.339 175 H CB 1.189 30.896 29.762 -0.092 0.000 1.427 175 H HN 0.147 nan 8.280 nan 0.000 0.497 176 P HA -0.021 nan 4.420 nan 0.000 0.241 176 P C -0.059 177.226 177.300 -0.024 0.000 1.191 176 P CA 0.836 63.925 63.100 -0.018 0.000 0.771 176 P CB 0.983 32.661 31.700 -0.036 0.000 0.929 177 D N -1.554 118.823 120.400 -0.040 0.000 2.652 177 D HA 0.190 4.831 4.640 0.001 0.000 0.285 177 D C -0.586 175.631 176.300 -0.138 0.000 1.173 177 D CA -0.472 53.479 54.000 -0.082 0.000 0.981 177 D CB 1.069 41.807 40.800 -0.102 0.000 1.440 177 D HN -0.336 nan 8.370 nan 0.000 0.485 178 T N 0.966 115.402 114.554 -0.197 0.000 2.891 178 T HA 0.123 4.474 4.350 0.001 0.000 0.296 178 T C 0.519 174.964 174.700 -0.426 0.000 1.025 178 T CA 0.460 62.404 62.100 -0.261 0.000 1.149 178 T CB -0.228 68.475 68.868 -0.275 0.000 1.007 178 T HN 0.126 nan 8.240 nan 0.000 0.528 179 I N 3.985 124.371 120.570 -0.307 0.000 2.301 179 I HA 0.155 4.326 4.170 0.001 0.000 0.292 179 I C 0.477 176.424 176.117 -0.284 0.000 1.046 179 I CA -0.498 60.593 61.300 -0.349 0.000 1.282 179 I CB 0.802 38.602 38.000 -0.333 0.000 1.409 179 I HN 0.689 nan 8.210 nan 0.000 0.484 180 Y N 3.601 123.738 120.300 -0.270 0.000 2.286 180 Y HA -0.037 4.513 4.550 0.001 0.000 0.293 180 Y C 1.364 176.930 175.900 -0.557 0.000 1.124 180 Y CA -0.025 57.834 58.100 -0.400 0.000 1.178 180 Y CB -0.108 38.095 38.460 -0.428 0.000 1.010 180 Y HN 0.623 nan 8.280 nan 0.000 0.536 181 S N -1.528 113.994 115.700 -0.296 0.000 2.547 181 S HA 0.724 5.195 4.470 0.001 0.000 0.270 181 S C -1.472 172.996 174.600 -0.219 0.000 1.150 181 S CA -0.947 57.078 58.200 -0.292 0.000 0.850 181 S CB 2.023 64.987 63.200 -0.392 0.000 1.118 181 S HN -0.205 nan 8.310 nan 0.000 0.461 182 V N 1.421 121.232 119.914 -0.171 0.000 2.760 182 V HA 0.717 4.838 4.120 0.001 0.000 0.309 182 V C -1.423 174.589 176.094 -0.137 0.000 1.077 182 V CA -0.427 61.757 62.300 -0.192 0.000 0.910 182 V CB 1.949 33.633 31.823 -0.230 0.000 1.008 182 V HN 1.051 nan 8.190 nan 0.000 0.424 183 D N 2.020 122.351 120.400 -0.114 0.000 2.780 183 D HA 0.492 5.132 4.640 0.001 0.000 0.242 183 D C -1.148 175.253 176.300 0.167 0.000 1.135 183 D CA -0.266 53.763 54.000 0.049 0.000 0.859 183 D CB 1.583 42.438 40.800 0.092 0.000 1.530 183 D HN 0.397 nan 8.370 nan 0.000 0.493 184 W N 2.645 124.065 121.300 0.200 0.000 2.261 184 W HA 0.281 4.942 4.660 0.001 0.000 0.323 184 W C 1.209 177.783 176.519 0.090 0.000 1.243 184 W CA -0.567 56.853 57.345 0.124 0.000 1.210 184 W CB 0.974 30.397 29.460 -0.062 0.000 1.149 184 W HN 0.348 nan 8.180 nan 0.000 0.562 185 S N 1.931 117.628 115.700 -0.005 0.000 2.606 185 S HA 0.102 4.573 4.470 0.001 0.000 0.257 185 S C 1.301 175.807 174.600 -0.157 0.000 1.327 185 S CA -0.374 57.444 58.200 -0.636 0.000 0.984 185 S CB 1.007 63.589 63.200 -1.031 0.000 0.941 185 S HN 0.631 nan 8.310 nan 0.000 0.576 186 R N 1.048 121.464 120.500 -0.140 0.000 2.091 186 R HA -0.145 4.195 4.340 0.001 0.000 0.238 186 R C 1.321 177.613 176.300 -0.014 0.000 1.136 186 R CA 2.323 58.421 56.100 -0.003 0.000 0.959 186 R CB -0.705 29.617 30.300 0.036 0.000 0.856 186 R HN 0.893 nan 8.270 nan 0.000 0.437 187 D N -1.790 118.596 120.400 -0.023 0.000 2.349 187 D HA 0.127 4.768 4.640 0.001 0.000 0.214 187 D C 0.886 177.198 176.300 0.019 0.000 1.063 187 D CA 0.576 54.590 54.000 0.025 0.000 0.847 187 D CB 0.107 40.949 40.800 0.070 0.000 0.933 187 D HN 0.389 nan 8.370 nan 0.000 0.513 188 G N 0.204 108.954 108.800 -0.083 0.000 2.160 188 G HA2 -0.282 3.678 3.960 0.001 0.000 0.251 188 G HA3 -0.282 3.678 3.960 0.001 0.000 0.251 188 G C 1.058 176.205 174.900 0.411 0.000 1.008 188 G CA 0.484 45.447 45.100 -0.229 0.000 0.724 188 G HN 0.764 nan 8.290 nan 0.000 0.514 189 A N -1.182 121.856 122.820 0.364 0.000 2.123 189 A HA 0.681 5.001 4.320 0.001 0.000 0.214 189 A C 1.061 178.876 177.584 0.384 0.000 1.152 189 A CA 1.181 53.479 52.037 0.435 0.000 0.728 189 A CB 0.198 19.335 19.000 0.230 0.000 0.814 189 A HN 0.786 nan 8.150 nan 0.000 0.464 190 L N -0.436 120.978 121.223 0.318 0.000 2.376 190 L HA 0.620 4.960 4.340 0.001 0.000 0.258 190 L C -0.688 176.378 176.870 0.327 0.000 1.013 190 L CA -1.063 53.944 54.840 0.279 0.000 0.822 190 L CB 2.208 44.377 42.059 0.185 0.000 1.388 190 L HN 0.363 nan 8.230 nan 0.000 0.413 191 I N -1.574 119.148 120.570 0.253 0.000 2.846 191 I HA 0.684 4.855 4.170 0.001 0.000 0.307 191 I C -0.963 175.292 176.117 0.231 0.000 1.053 191 I CA -0.615 60.779 61.300 0.157 0.000 1.050 191 I CB 2.146 39.985 38.000 -0.268 0.000 1.239 191 I HN 0.583 nan 8.210 nan 0.000 0.439 192 C N 4.272 123.599 119.300 0.045 0.000 2.319 192 C HA 0.816 5.277 4.460 0.001 0.000 0.323 192 C C 0.339 175.201 174.990 -0.212 0.000 1.277 192 C CA 0.215 59.060 59.018 -0.288 0.000 1.517 192 C CB 0.417 27.605 27.740 -0.919 0.000 2.206 192 C HN 0.994 nan 8.230 nan 0.000 0.486 193 T N 2.493 116.958 114.554 -0.148 0.000 2.885 193 T HA 0.690 5.040 4.350 0.001 0.000 0.285 193 T C -0.474 174.151 174.700 -0.125 0.000 1.019 193 T CA -0.447 61.566 62.100 -0.146 0.000 1.010 193 T CB 1.686 70.495 68.868 -0.098 0.000 1.022 193 T HN 0.805 nan 8.240 nan 0.000 0.466 194 S N 0.660 116.275 115.700 -0.141 0.000 2.519 194 S HA 0.607 5.078 4.470 0.001 0.000 0.309 194 S C -0.696 173.856 174.600 -0.080 0.000 1.100 194 S CA -0.759 57.401 58.200 -0.067 0.000 1.059 194 S CB 0.491 63.669 63.200 -0.037 0.000 1.008 194 S HN 1.075 nan 8.310 nan 0.000 0.478 195 C N 5.018 124.273 119.300 -0.074 0.000 2.561 195 C HA 0.590 5.050 4.460 0.001 0.000 0.319 195 C C 1.737 176.524 174.990 -0.338 0.000 1.198 195 C CA -0.737 58.138 59.018 -0.239 0.000 1.665 195 C CB 1.236 28.948 27.740 -0.047 0.000 2.258 195 C HN 1.203 nan 8.230 nan 0.000 0.493 196 R N 1.391 121.485 120.500 -0.676 0.000 2.241 196 R HA -0.103 4.238 4.340 0.001 0.000 0.224 196 R C 1.336 177.571 176.300 -0.109 0.000 1.101 196 R CA 2.121 57.954 56.100 -0.446 0.000 0.995 196 R CB -0.122 29.897 30.300 -0.469 0.000 0.870 196 R HN 0.913 nan 8.270 nan 0.000 0.463 197 D N 0.393 120.730 120.400 -0.105 0.000 2.371 197 D HA -0.115 4.525 4.640 0.001 0.000 0.234 197 D C -0.202 176.086 176.300 -0.020 0.000 1.049 197 D CA 0.387 54.358 54.000 -0.048 0.000 0.907 197 D CB -0.083 40.685 40.800 -0.053 0.000 0.891 197 D HN 0.219 nan 8.370 nan 0.000 0.531 198 K N -0.941 119.464 120.400 0.009 0.000 3.339 198 K HA -0.185 4.136 4.320 0.001 0.000 0.299 198 K C -0.362 176.232 176.600 -0.009 0.000 1.270 198 K CA 0.420 56.731 56.287 0.040 0.000 0.875 198 K CB -1.500 31.026 32.500 0.043 0.000 1.298 198 K HN 0.314 nan 8.250 nan 0.000 0.485 199 R N 0.523 121.004 120.500 -0.032 0.000 2.494 199 R HA 0.478 4.819 4.340 0.001 0.000 0.305 199 R C -0.417 175.837 176.300 -0.077 0.000 0.959 199 R CA -0.776 55.281 56.100 -0.072 0.000 0.864 199 R CB 2.119 32.373 30.300 -0.076 0.000 1.159 199 R HN -0.123 nan 8.270 nan 0.000 0.446 200 V N 4.144 123.975 119.914 -0.138 0.000 2.370 200 V HA 0.427 4.548 4.120 0.001 0.000 0.279 200 V C 0.052 176.050 176.094 -0.160 0.000 1.029 200 V CA -0.575 61.629 62.300 -0.160 0.000 0.870 200 V CB 1.376 33.048 31.823 -0.251 0.000 0.984 200 V HN 0.655 nan 8.190 nan 0.000 0.451 201 R N 3.212 123.646 120.500 -0.111 0.000 2.637 201 R HA 0.757 5.098 4.340 0.001 0.000 0.291 201 R C -1.438 174.816 176.300 -0.078 0.000 0.963 201 R CA -0.739 55.309 56.100 -0.086 0.000 0.901 201 R CB 2.496 32.765 30.300 -0.052 0.000 1.160 201 R HN 0.491 nan 8.270 nan 0.000 0.457 202 V N 5.053 124.936 119.914 -0.051 0.000 2.357 202 V HA 0.479 4.599 4.120 0.001 0.000 0.284 202 V C -0.213 175.913 176.094 0.055 0.000 1.018 202 V CA -0.501 61.813 62.300 0.024 0.000 0.841 202 V CB 1.307 33.166 31.823 0.060 0.000 0.991 202 V HN 0.601 nan 8.190 nan 0.000 0.437 203 I N 3.420 124.045 120.570 0.090 0.000 2.582 203 I HA 0.430 4.601 4.170 0.001 0.000 0.292 203 I C -0.194 175.990 176.117 0.111 0.000 1.066 203 I CA -0.679 60.661 61.300 0.068 0.000 1.053 203 I CB 2.342 40.369 38.000 0.044 0.000 1.241 203 I HN 0.450 nan 8.210 nan 0.000 0.421 204 E N 8.540 128.795 120.200 0.091 0.000 2.052 204 E HA 0.201 4.552 4.350 0.001 0.000 0.283 204 E C -1.962 174.700 176.600 0.103 0.000 1.071 204 E CA -2.059 54.410 56.400 0.114 0.000 0.851 204 E CB 1.256 30.995 29.700 0.065 0.000 1.066 204 E HN 0.293 nan 8.360 nan 0.000 0.396 205 P HA -0.038 nan 4.420 nan 0.000 0.225 205 P C 0.909 178.270 177.300 0.102 0.000 1.156 205 P CA 0.536 63.734 63.100 0.163 0.000 0.787 205 P CB 0.443 32.318 31.700 0.291 0.000 0.802 206 R N 0.632 121.142 120.500 0.017 0.000 2.081 206 R HA -0.038 4.303 4.340 0.001 0.000 0.235 206 R C 2.193 178.454 176.300 -0.065 0.000 1.131 206 R CA 1.470 57.507 56.100 -0.104 0.000 0.960 206 R CB -0.273 29.842 30.300 -0.308 0.000 0.856 206 R HN 0.228 nan 8.270 nan 0.000 0.436 207 K N -1.532 118.839 120.400 -0.049 0.000 2.354 207 K HA 0.169 4.489 4.320 0.001 0.000 0.194 207 K C 0.672 177.258 176.600 -0.024 0.000 1.045 207 K CA 0.548 56.811 56.287 -0.039 0.000 1.026 207 K CB 1.261 33.736 32.500 -0.042 0.000 0.866 207 K HN 0.343 nan 8.250 nan 0.000 0.530 208 G N 1.993 110.789 108.800 -0.008 0.000 2.132 208 G HA2 -0.226 3.735 3.960 0.001 0.000 0.234 208 G HA3 -0.226 3.735 3.960 0.001 0.000 0.234 208 G C 0.011 174.900 174.900 -0.018 0.000 0.989 208 G CA 0.112 45.206 45.100 -0.010 0.000 0.676 208 G HN 0.227 nan 8.290 nan 0.000 0.522 209 T N 0.937 115.485 114.554 -0.010 0.000 2.799 209 T HA 0.395 4.745 4.350 0.001 0.000 0.296 209 T C 0.743 175.437 174.700 -0.010 0.000 0.947 209 T CA -0.028 62.064 62.100 -0.014 0.000 1.141 209 T CB 2.012 70.876 68.868 -0.008 0.000 0.891 209 T HN 0.423 nan 8.240 nan 0.000 0.533 210 V N 5.883 125.780 119.914 -0.028 0.000 2.356 210 V HA 0.064 4.184 4.120 0.001 0.000 0.258 210 V C 1.452 177.532 176.094 -0.024 0.000 1.065 210 V CA -0.149 62.131 62.300 -0.033 0.000 0.935 210 V CB 0.442 32.227 31.823 -0.063 0.000 1.061 210 V HN 0.910 nan 8.190 nan 0.000 0.484 211 V N 2.141 122.053 119.914 -0.004 0.000 3.235 211 V HA 0.636 4.757 4.120 0.001 0.000 0.259 211 V C 0.732 176.817 176.094 -0.015 0.000 1.133 211 V CA 0.884 63.183 62.300 -0.002 0.000 1.128 211 V CB -0.172 31.664 31.823 0.021 0.000 0.757 211 V HN 0.842 nan 8.190 nan 0.000 0.469 212 A N -0.208 122.596 122.820 -0.025 0.000 2.594 212 A HA 0.786 5.107 4.320 0.001 0.000 0.296 212 A C -0.971 176.567 177.584 -0.078 0.000 1.061 212 A CA -0.370 51.636 52.037 -0.050 0.000 0.689 212 A CB 1.770 20.745 19.000 -0.041 0.000 1.280 212 A HN 0.420 nan 8.150 nan 0.000 0.406 213 E N 0.566 120.704 120.200 -0.103 0.000 2.321 213 E HA 0.521 4.871 4.350 0.001 0.000 0.281 213 E C -1.593 174.907 176.600 -0.167 0.000 0.910 213 E CA -0.626 55.697 56.400 -0.129 0.000 0.770 213 E CB 1.510 31.147 29.700 -0.105 0.000 1.225 213 E HN 0.468 nan 8.360 nan 0.000 0.417 214 K N 3.174 123.433 120.400 -0.235 0.000 2.339 214 K HA 0.295 4.615 4.320 0.001 0.000 0.264 214 K C -1.492 174.960 176.600 -0.246 0.000 0.986 214 K CA -0.636 55.465 56.287 -0.310 0.000 0.866 214 K CB 1.396 33.544 32.500 -0.585 0.000 1.103 214 K HN 0.451 nan 8.250 nan 0.000 0.441 215 D N 3.389 123.683 120.400 -0.176 0.000 2.295 215 D HA 0.237 4.877 4.640 0.001 0.000 0.248 215 D C -0.616 175.616 176.300 -0.114 0.000 1.154 215 D CA 0.304 54.231 54.000 -0.121 0.000 0.857 215 D CB 0.351 41.103 40.800 -0.081 0.000 1.117 215 D HN 0.604 nan 8.370 nan 0.000 0.468 216 R N 3.092 123.542 120.500 -0.083 0.000 3.152 216 R HA -0.101 4.240 4.340 0.001 0.000 0.252 216 R C -1.794 174.467 176.300 -0.065 0.000 0.930 216 R CA 0.392 56.471 56.100 -0.036 0.000 0.642 216 R CB -1.106 29.191 30.300 -0.005 0.000 1.205 216 R HN 0.569 nan 8.270 nan 0.000 0.452 217 P HA -0.115 nan 4.420 nan 0.000 0.222 217 P C 0.052 177.230 177.300 -0.203 0.000 1.147 217 P CA 1.423 64.393 63.100 -0.217 0.000 0.790 217 P CB 0.266 31.750 31.700 -0.358 0.000 0.780 218 H N -1.255 117.885 119.070 0.117 0.000 2.821 218 H HA 0.254 4.810 4.556 0.001 0.000 0.373 218 H C 0.726 176.108 175.328 0.091 0.000 1.165 218 H CA -0.630 55.490 56.048 0.121 0.000 1.154 218 H CB 2.230 32.063 29.762 0.118 0.000 1.765 218 H HN -0.135 nan 8.280 nan 0.000 0.549 219 E N 1.526 121.844 120.200 0.197 0.000 2.385 219 E HA 0.074 4.425 4.350 0.001 0.000 0.194 219 E C 1.155 177.827 176.600 0.119 0.000 1.013 219 E CA -0.028 56.447 56.400 0.124 0.000 0.866 219 E CB 0.437 30.192 29.700 0.092 0.000 0.832 219 E HN 0.702 nan 8.360 nan 0.000 0.500 220 G N 0.718 109.616 108.800 0.162 0.000 2.616 220 G HA2 0.148 4.108 3.960 0.001 0.000 0.268 220 G HA3 0.148 4.108 3.960 0.001 0.000 0.268 220 G C 0.893 175.829 174.900 0.060 0.000 1.213 220 G CA 0.284 45.455 45.100 0.118 0.000 0.926 220 G HN 0.121 nan 8.290 nan 0.000 0.523 221 T N -2.516 112.027 114.554 -0.019 0.000 3.086 221 T HA 0.251 4.602 4.350 0.001 0.000 0.250 221 T C 1.015 175.645 174.700 -0.116 0.000 1.074 221 T CA -0.127 61.947 62.100 -0.043 0.000 0.988 221 T CB 0.078 68.917 68.868 -0.048 0.000 0.988 221 T HN 0.372 nan 8.240 nan 0.000 0.530 222 R N 1.584 121.928 120.500 -0.260 0.000 2.607 222 R HA 0.520 4.861 4.340 0.001 0.000 0.261 222 R C -2.717 173.411 176.300 -0.286 0.000 1.051 222 R CA -2.297 53.520 56.100 -0.471 0.000 1.110 222 R CB -0.004 29.513 30.300 -1.306 0.000 1.158 222 R HN 0.114 nan 8.270 nan 0.000 0.543 223 P HA -0.004 nan 4.420 nan 0.000 0.267 223 P C -0.978 176.103 177.300 -0.365 0.000 1.200 223 P CA -0.006 62.584 63.100 -0.851 0.000 0.772 223 P CB 0.548 31.728 31.700 -0.866 0.000 0.855 224 V N 3.519 123.145 119.914 -0.480 0.000 2.459 224 V HA 0.282 4.402 4.120 0.001 0.000 0.295 224 V C 0.079 176.143 176.094 -0.050 0.000 1.029 224 V CA -0.467 61.767 62.300 -0.110 0.000 0.874 224 V CB 0.997 32.850 31.823 0.049 0.000 0.985 224 V HN 0.579 nan 8.190 nan 0.000 0.438 225 H N 2.484 121.467 119.070 -0.145 0.000 2.529 225 H HA 0.799 5.356 4.556 0.001 0.000 0.348 225 H C -0.255 175.027 175.328 -0.076 0.000 1.152 225 H CA -0.452 55.536 56.048 -0.101 0.000 1.202 225 H CB 2.361 32.046 29.762 -0.128 0.000 1.562 225 H HN 0.766 nan 8.280 nan 0.000 0.515 226 A N 2.310 125.110 122.820 -0.033 0.000 2.449 226 A HA 0.587 4.908 4.320 0.001 0.000 0.302 226 A C -0.749 176.763 177.584 -0.120 0.000 1.048 226 A CA -0.626 51.363 52.037 -0.080 0.000 0.708 226 A CB 1.324 20.235 19.000 -0.150 0.000 1.274 226 A HN 0.446 nan 8.150 nan 0.000 0.410 227 V N -1.157 118.684 119.914 -0.122 0.000 3.007 227 V HA 0.836 4.956 4.120 0.001 0.000 0.311 227 V C -0.729 175.257 176.094 -0.180 0.000 1.120 227 V CA -1.113 61.121 62.300 -0.109 0.000 0.980 227 V CB 1.343 33.173 31.823 0.011 0.000 1.033 227 V HN 0.682 nan 8.190 nan 0.000 0.429 228 F N 2.115 122.042 119.950 -0.039 0.000 2.471 228 F HA 0.625 5.152 4.527 0.001 0.000 0.353 228 F C 0.950 176.564 175.800 -0.311 0.000 1.113 228 F CA 0.801 58.747 58.000 -0.090 0.000 1.262 228 F CB 1.504 40.503 39.000 -0.001 0.000 1.146 228 F HN 0.710 nan 8.300 nan 0.000 0.578 229 V N -1.562 118.177 119.914 -0.291 0.000 5.502 229 V HA 0.567 4.687 4.120 0.001 0.000 0.283 229 V C 0.195 175.981 176.094 -0.512 0.000 1.523 229 V CA -0.859 60.759 62.300 -1.136 0.000 0.749 229 V CB 0.234 31.459 31.823 -0.998 0.000 1.393 229 V HN 0.566 nan 8.190 nan 0.000 0.425 230 S N 0.477 116.022 115.700 -0.259 0.000 2.569 230 S HA 0.134 4.605 4.470 0.001 0.000 0.274 230 S C 0.077 174.720 174.600 0.071 0.000 1.353 230 S CA -0.157 58.100 58.200 0.096 0.000 1.023 230 S CB -0.390 62.907 63.200 0.162 0.000 0.876 230 S HN 0.685 nan 8.310 nan 0.000 0.540 231 E N 0.529 120.790 120.200 0.102 0.000 2.529 231 E HA 0.217 4.568 4.350 0.001 0.000 0.259 231 E C 1.194 177.838 176.600 0.073 0.000 0.966 231 E CA 0.736 57.185 56.400 0.082 0.000 0.937 231 E CB -0.041 29.706 29.700 0.077 0.000 0.923 231 E HN 0.955 nan 8.360 nan 0.000 0.468 232 G N 3.064 111.914 108.800 0.084 0.000 2.153 232 G HA2 -0.327 3.634 3.960 0.001 0.000 0.252 232 G HA3 -0.327 3.634 3.960 0.001 0.000 0.252 232 G C -0.071 174.876 174.900 0.079 0.000 0.994 232 G CA 0.445 45.593 45.100 0.081 0.000 0.698 232 G HN 0.423 nan 8.290 nan 0.000 0.521 233 K N -0.255 120.199 120.400 0.089 0.000 2.426 233 K HA 0.741 5.061 4.320 0.001 0.000 0.251 233 K C 0.142 176.773 176.600 0.052 0.000 0.941 233 K CA -0.857 55.462 56.287 0.053 0.000 0.808 233 K CB 2.217 34.716 32.500 -0.001 0.000 1.265 233 K HN 0.449 nan 8.250 nan 0.000 0.432 234 I N -0.492 120.104 120.570 0.043 0.000 2.892 234 I HA 0.648 4.819 4.170 0.001 0.000 0.306 234 I C -1.394 174.771 176.117 0.080 0.000 1.078 234 I CA -1.271 60.015 61.300 -0.025 0.000 1.032 234 I CB 1.894 39.801 38.000 -0.155 0.000 1.229 234 I HN 0.520 nan 8.210 nan 0.000 0.435 235 L N 3.218 124.455 121.223 0.023 0.000 2.381 235 L HA 0.795 5.135 4.340 0.001 0.000 0.268 235 L C -0.521 176.422 176.870 0.121 0.000 0.997 235 L CA 0.030 54.918 54.840 0.081 0.000 0.818 235 L CB 2.237 44.275 42.059 -0.034 0.000 1.310 235 L HN 0.977 nan 8.230 nan 0.000 0.416 236 T N -0.549 114.148 114.554 0.239 0.000 2.907 236 T HA 0.722 5.073 4.350 0.001 0.000 0.292 236 T C -0.302 174.481 174.700 0.138 0.000 1.043 236 T CA -0.354 61.889 62.100 0.237 0.000 1.003 236 T CB 1.710 70.857 68.868 0.464 0.000 1.084 236 T HN 0.711 nan 8.240 nan 0.000 0.483 237 T N -0.999 113.545 114.554 -0.017 0.000 2.856 237 T HA 0.875 5.226 4.350 0.001 0.000 0.283 237 T C 0.285 174.679 174.700 -0.509 0.000 1.008 237 T CA -0.280 61.682 62.100 -0.230 0.000 0.997 237 T CB 1.430 70.170 68.868 -0.213 0.000 0.992 237 T HN 1.377 nan 8.240 nan 0.000 0.454 238 G N 0.956 109.216 108.800 -0.900 0.000 2.494 238 G HA2 0.606 4.567 3.960 0.001 0.000 0.308 238 G HA3 0.606 4.567 3.960 0.001 0.000 0.308 238 G C -2.106 172.275 174.900 -0.866 0.000 1.263 238 G CA -1.028 43.507 45.100 -0.942 0.000 0.840 238 G HN 0.658 nan 8.290 nan 0.000 0.479 239 F N 0.761 120.557 119.950 -0.257 0.000 2.576 239 F HA 0.617 5.145 4.527 0.001 0.000 0.313 239 F C 0.883 176.707 175.800 0.040 0.000 1.078 239 F CA -0.601 57.352 58.000 -0.077 0.000 0.921 239 F CB 2.560 41.514 39.000 -0.078 0.000 1.232 239 F HN 0.616 nan 8.300 nan 0.000 0.459 240 S N 0.980 116.805 115.700 0.208 0.000 2.617 240 S HA 0.265 4.736 4.470 0.001 0.000 0.259 240 S C 1.204 175.886 174.600 0.137 0.000 1.301 240 S CA -0.519 57.773 58.200 0.153 0.000 0.984 240 S CB 1.129 64.387 63.200 0.096 0.000 0.954 240 S HN 0.739 nan 8.310 nan 0.000 0.572 241 R N 0.006 120.562 120.500 0.093 0.000 2.127 241 R HA 0.087 4.428 4.340 0.001 0.000 0.238 241 R C 1.396 177.727 176.300 0.051 0.000 1.134 241 R CA 1.678 57.817 56.100 0.065 0.000 0.975 241 R CB -0.524 29.804 30.300 0.046 0.000 0.865 241 R HN 0.687 nan 8.270 nan 0.000 0.447 242 M N -0.162 119.471 119.600 0.055 0.000 2.571 242 M HA 0.179 4.659 4.480 0.001 0.000 0.235 242 M C 0.449 176.785 176.300 0.060 0.000 1.216 242 M CA 0.187 55.513 55.300 0.043 0.000 0.979 242 M CB -0.386 32.233 32.600 0.032 0.000 1.616 242 M HN 0.204 nan 8.290 nan 0.000 0.469 243 S N 1.172 116.932 115.700 0.099 0.000 3.586 243 S HA -0.179 4.292 4.470 0.001 0.000 0.309 243 S C 0.218 174.950 174.600 0.219 0.000 1.195 243 S CA 0.843 59.146 58.200 0.173 0.000 0.895 243 S CB -1.020 62.218 63.200 0.062 0.000 0.983 243 S HN 0.696 nan 8.310 nan 0.000 0.563 244 E N 1.596 121.880 120.200 0.141 0.000 2.290 244 E HA 0.309 4.660 4.350 0.001 0.000 0.277 244 E C 0.471 177.079 176.600 0.014 0.000 1.035 244 E CA -0.320 56.123 56.400 0.072 0.000 0.873 244 E CB 0.557 30.278 29.700 0.034 0.000 1.029 244 E HN 0.431 nan 8.360 nan 0.000 0.419 245 R N 3.823 124.261 120.500 -0.104 0.000 2.490 245 R HA 0.227 4.567 4.340 0.001 0.000 0.280 245 R C -0.121 176.023 176.300 -0.260 0.000 1.077 245 R CA -0.075 55.787 56.100 -0.396 0.000 1.065 245 R CB 0.730 30.779 30.300 -0.418 0.000 1.003 245 R HN 0.631 nan 8.270 nan 0.000 0.470 246 Q N 0.567 120.173 119.800 -0.323 0.000 2.421 246 Q HA 0.508 4.849 4.340 0.001 0.000 0.280 246 Q C -1.553 174.351 176.000 -0.160 0.000 1.085 246 Q CA -0.840 54.874 55.803 -0.148 0.000 0.807 246 Q CB 3.188 31.948 28.738 0.037 0.000 1.405 246 Q HN 0.324 nan 8.270 nan 0.000 0.419 247 V N 0.443 120.285 119.914 -0.121 0.000 2.656 247 V HA 0.943 5.063 4.120 0.001 0.000 0.307 247 V C -1.677 174.335 176.094 -0.137 0.000 1.051 247 V CA -0.330 61.876 62.300 -0.156 0.000 0.893 247 V CB 1.585 33.189 31.823 -0.365 0.000 0.999 247 V HN 0.875 nan 8.190 nan 0.000 0.426 248 A N 5.980 128.750 122.820 -0.083 0.000 2.449 248 A HA 0.863 5.184 4.320 0.001 0.000 0.302 248 A C -1.594 175.751 177.584 -0.397 0.000 1.048 248 A CA -0.610 51.239 52.037 -0.313 0.000 0.708 248 A CB 1.745 20.492 19.000 -0.421 0.000 1.274 248 A HN 1.267 nan 8.150 nan 0.000 0.410 249 L N 1.351 122.243 121.223 -0.551 0.000 2.322 249 L HA 0.893 5.234 4.340 0.001 0.000 0.281 249 L C -1.626 174.915 176.870 -0.548 0.000 1.014 249 L CA -0.300 54.318 54.840 -0.370 0.000 0.815 249 L CB 0.863 42.794 42.059 -0.214 0.000 1.247 249 L HN 0.702 nan 8.230 nan 0.000 0.421 250 W N 3.219 124.453 121.300 -0.111 0.000 2.819 250 W HA 0.412 5.073 4.660 0.001 0.000 0.337 250 W C -0.647 175.810 176.519 -0.103 0.000 1.077 250 W CA -0.571 56.710 57.345 -0.106 0.000 1.226 250 W CB 1.338 30.737 29.460 -0.101 0.000 1.419 250 W HN 0.432 nan 8.180 nan 0.000 0.502 251 D N 1.259 121.743 120.400 0.141 0.000 2.313 251 D HA 0.075 4.716 4.640 0.001 0.000 0.239 251 D C 1.323 177.679 176.300 0.093 0.000 1.142 251 D CA 0.019 54.064 54.000 0.075 0.000 0.847 251 D CB 1.428 42.262 40.800 0.057 0.000 1.082 251 D HN 0.507 nan 8.370 nan 0.000 0.480 252 T N 1.213 115.798 114.554 0.053 0.000 3.051 252 T HA -0.068 4.282 4.350 0.001 0.000 0.269 252 T C 1.351 176.019 174.700 -0.054 0.000 1.127 252 T CA 0.796 62.903 62.100 0.010 0.000 1.107 252 T CB 0.040 68.923 68.868 0.026 0.000 0.898 252 T HN 0.342 nan 8.240 nan 0.000 0.517 253 K N 0.127 120.460 120.400 -0.112 0.000 2.361 253 K HA 0.092 4.412 4.320 0.001 0.000 0.196 253 K C -0.184 176.045 176.600 -0.617 0.000 1.039 253 K CA 0.536 56.619 56.287 -0.341 0.000 1.001 253 K CB 0.179 32.443 32.500 -0.394 0.000 0.795 253 K HN 0.588 nan 8.250 nan 0.000 0.495 254 H N -0.253 118.829 119.070 0.020 0.000 2.596 254 H HA 0.180 4.737 4.556 0.001 0.000 0.240 254 H C -0.063 175.302 175.328 0.062 0.000 1.406 254 H CA -0.195 55.867 56.048 0.024 0.000 1.504 254 H CB 0.446 30.212 29.762 0.006 0.000 1.688 254 H HN -0.098 nan 8.280 nan 0.000 0.546 255 L N 0.786 122.080 121.223 0.119 0.000 2.591 255 L HA 0.052 4.392 4.340 0.001 0.000 0.228 255 L C 1.342 178.316 176.870 0.174 0.000 1.133 255 L CA 0.360 55.284 54.840 0.140 0.000 0.880 255 L CB 0.147 42.189 42.059 -0.029 0.000 1.033 255 L HN 0.475 nan 8.230 nan 0.000 0.450 256 E N 0.285 120.572 120.200 0.146 0.000 2.085 256 E HA -0.097 4.253 4.350 0.001 0.000 0.194 256 E C 0.283 176.983 176.600 0.166 0.000 0.994 256 E CA 1.021 57.492 56.400 0.118 0.000 0.801 256 E CB 0.150 29.900 29.700 0.083 0.000 0.743 256 E HN 0.270 nan 8.360 nan 0.000 0.453 257 E N -0.651 119.658 120.200 0.181 0.000 2.383 257 E HA 0.297 4.647 4.350 0.001 0.000 0.275 257 E C -2.565 174.036 176.600 0.001 0.000 0.918 257 E CA -2.277 54.196 56.400 0.121 0.000 0.764 257 E CB 1.508 31.218 29.700 0.016 0.000 1.252 257 E HN -0.095 nan 8.360 nan 0.000 0.449 258 P HA 0.200 nan 4.420 nan 0.000 0.272 258 P C 0.968 178.007 177.300 -0.435 0.000 1.223 258 P CA -0.231 62.321 63.100 -0.912 0.000 0.784 258 P CB 1.038 31.849 31.700 -1.483 0.000 0.923 259 L N 0.019 121.009 121.223 -0.389 0.000 2.083 259 L HA -0.080 4.261 4.340 0.001 0.000 0.209 259 L C 1.377 178.178 176.870 -0.115 0.000 1.083 259 L CA 1.674 56.368 54.840 -0.243 0.000 0.752 259 L CB -0.328 41.513 42.059 -0.363 0.000 0.899 259 L HN 0.476 nan 8.230 nan 0.000 0.433 260 S N -1.114 114.435 115.700 -0.252 0.000 2.543 260 S HA 0.529 5.000 4.470 0.001 0.000 0.273 260 S C -1.503 172.910 174.600 -0.312 0.000 1.152 260 S CA -0.700 57.383 58.200 -0.194 0.000 0.910 260 S CB 1.586 64.721 63.200 -0.107 0.000 1.105 260 S HN 0.038 nan 8.310 nan 0.000 0.465 261 L N 4.300 125.378 121.223 -0.241 0.000 2.406 261 L HA 0.648 4.989 4.340 0.001 0.000 0.272 261 L C -1.124 175.666 176.870 -0.134 0.000 0.980 261 L CA 0.042 54.748 54.840 -0.224 0.000 0.831 261 L CB 1.708 43.632 42.059 -0.225 0.000 1.253 261 L HN 0.748 nan 8.230 nan 0.000 0.406 262 Q N 4.071 123.796 119.800 -0.124 0.000 2.331 262 Q HA 0.434 4.774 4.340 0.001 0.000 0.267 262 Q C -1.097 174.864 176.000 -0.065 0.000 1.006 262 Q CA -0.890 54.866 55.803 -0.078 0.000 0.818 262 Q CB 2.280 30.989 28.738 -0.048 0.000 1.276 262 Q HN 0.498 nan 8.270 nan 0.000 0.450 263 E N 2.844 123.013 120.200 -0.051 0.000 2.313 263 E HA 0.160 4.510 4.350 0.001 0.000 0.276 263 E C 0.211 176.777 176.600 -0.058 0.000 1.031 263 E CA 0.023 56.393 56.400 -0.050 0.000 0.857 263 E CB 1.488 31.164 29.700 -0.039 0.000 1.040 263 E HN 0.600 nan 8.360 nan 0.000 0.408 264 L N 1.018 122.202 121.223 -0.065 0.000 2.488 264 L HA 0.102 4.442 4.340 0.001 0.000 0.186 264 L C 0.331 177.163 176.870 -0.064 0.000 1.124 264 L CA 0.412 55.214 54.840 -0.063 0.000 0.838 264 L CB 0.173 42.201 42.059 -0.052 0.000 1.107 264 L HN 0.540 nan 8.230 nan 0.000 0.494 265 D N -2.502 117.865 120.400 -0.055 0.000 2.851 265 D HA 0.194 4.834 4.640 0.001 0.000 0.339 265 D C -0.801 175.490 176.300 -0.014 0.000 1.347 265 D CA -0.365 53.614 54.000 -0.035 0.000 0.888 265 D CB 0.927 41.709 40.800 -0.030 0.000 1.431 265 D HN -0.063 nan 8.370 nan 0.000 0.509 266 T N -1.815 112.742 114.554 0.006 0.000 3.053 266 T HA 0.733 5.083 4.350 0.001 0.000 0.363 266 T C -0.643 174.087 174.700 0.051 0.000 1.239 266 T CA -0.509 61.613 62.100 0.037 0.000 1.071 266 T CB 0.058 68.943 68.868 0.028 0.000 1.089 266 T HN 0.390 nan 8.240 nan 0.000 0.527 267 S N 1.166 116.920 115.700 0.091 0.000 2.704 267 S HA 0.634 5.105 4.470 0.001 0.000 0.296 267 S C 1.008 175.723 174.600 0.191 0.000 1.138 267 S CA -0.653 57.608 58.200 0.101 0.000 0.875 267 S CB 1.912 65.153 63.200 0.069 0.000 1.151 267 S HN 0.783 nan 8.310 nan 0.000 0.500 268 S N -0.295 115.473 115.700 0.114 0.000 2.524 268 S HA 0.262 4.733 4.470 0.001 0.000 0.215 268 S C 0.888 175.551 174.600 0.105 0.000 0.986 268 S CA -0.103 58.130 58.200 0.054 0.000 0.911 268 S CB -0.304 62.873 63.200 -0.038 0.000 0.805 268 S HN 0.878 nan 8.310 nan 0.000 0.501 269 G N 1.671 110.550 108.800 0.132 0.000 2.378 269 G HA2 0.471 4.431 3.960 0.001 0.000 0.255 269 G HA3 0.471 4.431 3.960 0.001 0.000 0.255 269 G C -0.383 174.603 174.900 0.145 0.000 1.270 269 G CA -0.383 44.767 45.100 0.085 0.000 0.876 269 G HN 0.284 nan 8.290 nan 0.000 0.521 270 V N 3.983 123.935 119.914 0.064 0.000 2.508 270 V HA 0.092 4.213 4.120 0.001 0.000 0.281 270 V C 0.699 176.702 176.094 -0.152 0.000 1.041 270 V CA -0.118 62.175 62.300 -0.012 0.000 1.016 270 V CB 0.843 32.579 31.823 -0.145 0.000 0.984 270 V HN 0.497 nan 8.190 nan 0.000 0.478 271 L N 6.631 127.734 121.223 -0.200 0.000 2.281 271 L HA 0.391 4.731 4.340 0.001 0.000 0.285 271 L C -0.154 176.590 176.870 -0.210 0.000 1.074 271 L CA -0.088 54.659 54.840 -0.156 0.000 0.817 271 L CB 0.609 42.585 42.059 -0.139 0.000 1.168 271 L HN 0.429 nan 8.230 nan 0.000 0.434 272 L N 6.392 127.536 121.223 -0.132 0.000 2.276 272 L HA 0.447 4.788 4.340 0.001 0.000 0.286 272 L C -2.131 174.701 176.870 -0.063 0.000 1.061 272 L CA -1.851 52.876 54.840 -0.189 0.000 0.807 272 L CB 1.190 43.155 42.059 -0.156 0.000 1.177 272 L HN 0.352 nan 8.230 nan 0.000 0.429 273 P HA 0.349 nan 4.420 nan 0.000 0.288 273 P C -1.216 175.990 177.300 -0.156 0.000 1.267 273 P CA -0.372 62.743 63.100 0.024 0.000 0.815 273 P CB 0.901 32.623 31.700 0.038 0.000 0.989 274 F N 2.313 122.381 119.950 0.197 0.000 2.496 274 F HA 0.375 4.902 4.527 0.001 0.000 0.341 274 F C -0.084 175.843 175.800 0.211 0.000 1.134 274 F CA -0.796 57.250 58.000 0.077 0.000 0.968 274 F CB 1.133 40.096 39.000 -0.061 0.000 1.205 274 F HN 0.162 nan 8.300 nan 0.000 0.436 275 F N 3.702 123.746 119.950 0.157 0.000 2.408 275 F HA 0.430 4.957 4.527 0.001 0.000 0.344 275 F C -0.314 175.596 175.800 0.183 0.000 1.112 275 F CA -0.916 57.186 58.000 0.169 0.000 1.096 275 F CB 0.875 39.954 39.000 0.133 0.000 1.129 275 F HN 0.336 nan 8.300 nan 0.000 0.486 276 D N 8.562 128.620 120.400 -0.569 0.000 2.454 276 D HA 0.334 4.975 4.640 0.001 0.000 0.225 276 D C -1.868 173.844 176.300 -0.981 0.000 1.081 276 D CA -2.686 51.016 54.000 -0.497 0.000 0.864 276 D CB 1.584 42.334 40.800 -0.084 0.000 1.040 276 D HN 0.254 nan 8.370 nan 0.000 0.517 277 P HA -0.095 nan 4.420 nan 0.000 0.222 277 P C 0.351 177.559 177.300 -0.153 0.000 1.147 277 P CA 0.719 63.570 63.100 -0.414 0.000 0.790 277 P CB 0.576 32.273 31.700 -0.006 0.000 0.780 278 D N -0.691 119.628 120.400 -0.134 0.000 2.277 278 D HA -0.053 4.588 4.640 0.001 0.000 0.208 278 D C 1.759 178.026 176.300 -0.055 0.000 0.962 278 D CA 1.607 55.580 54.000 -0.044 0.000 0.865 278 D CB -0.382 40.413 40.800 -0.009 0.000 0.939 278 D HN 0.330 nan 8.370 nan 0.000 0.510 279 T N -4.244 110.216 114.554 -0.157 0.000 2.975 279 T HA 0.129 4.479 4.350 0.001 0.000 0.261 279 T C 0.585 175.168 174.700 -0.195 0.000 0.984 279 T CA -0.127 61.836 62.100 -0.228 0.000 0.911 279 T CB -0.033 68.471 68.868 -0.606 0.000 1.127 279 T HN 0.010 nan 8.240 nan 0.000 0.514 280 N N 0.712 119.327 118.700 -0.143 0.000 2.741 280 N HA -0.114 4.626 4.740 0.001 0.000 0.250 280 N C -0.834 174.716 175.510 0.066 0.000 1.115 280 N CA 0.298 53.398 53.050 0.083 0.000 0.724 280 N CB -1.362 37.256 38.487 0.218 0.000 1.090 280 N HN 0.588 nan 8.380 nan 0.000 0.558 281 I N 0.579 121.037 120.570 -0.187 0.000 2.396 281 I HA 0.341 4.512 4.170 0.001 0.000 0.292 281 I C 0.312 176.410 176.117 -0.033 0.000 0.999 281 I CA -0.640 60.538 61.300 -0.203 0.000 1.310 281 I CB 1.546 39.230 38.000 -0.527 0.000 1.404 281 I HN -0.170 nan 8.210 nan 0.000 0.496 282 V N 7.768 127.738 119.914 0.094 0.000 2.448 282 V HA 0.434 4.555 4.120 0.001 0.000 0.295 282 V C -1.101 175.090 176.094 0.162 0.000 1.025 282 V CA -0.314 62.133 62.300 0.245 0.000 0.859 282 V CB 1.334 33.356 31.823 0.333 0.000 0.988 282 V HN 0.472 nan 8.190 nan 0.000 0.431 283 Y N 6.045 126.612 120.300 0.445 0.000 2.387 283 Y HA 0.678 5.228 4.550 0.001 0.000 0.330 283 Y C 0.132 176.298 175.900 0.444 0.000 1.133 283 Y CA -0.773 57.606 58.100 0.466 0.000 1.152 283 Y CB 1.630 40.403 38.460 0.522 0.000 1.215 283 Y HN 0.433 nan 8.280 nan 0.000 0.466 284 L N 3.664 125.188 121.223 0.501 0.000 2.376 284 L HA 0.628 4.968 4.340 0.001 0.000 0.275 284 L C -1.369 175.651 176.870 0.251 0.000 0.987 284 L CA -0.529 54.521 54.840 0.350 0.000 0.828 284 L CB 1.258 43.482 42.059 0.276 0.000 1.249 284 L HN 0.681 nan 8.230 nan 0.000 0.409 285 C N 1.710 121.154 119.300 0.241 0.000 2.609 285 C HA 0.905 5.366 4.460 0.001 0.000 0.313 285 C C 0.463 175.521 174.990 0.114 0.000 1.175 285 C CA -0.901 58.203 59.018 0.142 0.000 1.434 285 C CB 1.124 28.930 27.740 0.110 0.000 2.005 285 C HN 0.941 nan 8.230 nan 0.000 0.471 286 G N 1.169 110.000 108.800 0.052 0.000 2.524 286 G HA2 0.607 4.568 3.960 0.001 0.000 0.310 286 G HA3 0.607 4.568 3.960 0.001 0.000 0.310 286 G C -1.225 173.680 174.900 0.009 0.000 1.279 286 G CA -0.656 44.448 45.100 0.007 0.000 0.974 286 G HN 0.779 nan 8.290 nan 0.000 0.484 287 K N 0.031 120.419 120.400 -0.020 0.000 2.489 287 K HA 0.360 4.681 4.320 0.001 0.000 0.278 287 K C 1.328 177.923 176.600 -0.007 0.000 1.000 287 K CA 1.560 57.834 56.287 -0.022 0.000 1.012 287 K CB 0.797 33.251 32.500 -0.077 0.000 0.903 287 K HN 1.139 nan 8.250 nan 0.000 0.485 288 G N 2.434 111.240 108.800 0.009 0.000 2.241 288 G HA2 -0.204 3.757 3.960 0.001 0.000 0.244 288 G HA3 -0.204 3.757 3.960 0.001 0.000 0.244 288 G C -0.147 174.762 174.900 0.015 0.000 0.998 288 G CA -0.041 45.067 45.100 0.014 0.000 0.621 288 G HN 0.636 nan 8.290 nan 0.000 0.519 289 D N 0.067 120.476 120.400 0.016 0.000 2.340 289 D HA 0.573 5.214 4.640 0.001 0.000 0.251 289 D C 1.450 177.755 176.300 0.010 0.000 1.080 289 D CA 0.452 54.459 54.000 0.012 0.000 0.971 289 D CB 1.441 42.251 40.800 0.017 0.000 1.137 289 D HN 0.367 nan 8.370 nan 0.000 0.475 290 S N -1.679 114.017 115.700 -0.006 0.000 2.539 290 S HA 0.152 4.623 4.470 0.001 0.000 0.221 290 S C 0.497 175.084 174.600 -0.022 0.000 0.987 290 S CA -0.467 57.718 58.200 -0.025 0.000 0.929 290 S CB -0.083 63.084 63.200 -0.055 0.000 0.832 290 S HN 0.369 nan 8.310 nan 0.000 0.492 291 S N 0.863 116.569 115.700 0.010 0.000 2.600 291 S HA 0.804 5.274 4.470 0.001 0.000 0.300 291 S C -0.871 173.791 174.600 0.103 0.000 1.087 291 S CA -0.939 57.283 58.200 0.038 0.000 0.965 291 S CB 1.152 64.354 63.200 0.003 0.000 1.089 291 S HN 0.307 nan 8.310 nan 0.000 0.496 292 I N 1.496 122.176 120.570 0.183 0.000 2.439 292 I HA 0.434 4.604 4.170 0.001 0.000 0.285 292 I C 0.063 176.336 176.117 0.259 0.000 1.021 292 I CA -0.598 60.799 61.300 0.161 0.000 1.091 292 I CB 1.787 39.786 38.000 -0.002 0.000 1.242 292 I HN 0.542 nan 8.210 nan 0.000 0.439 293 R N 5.224 125.865 120.500 0.234 0.000 2.500 293 R HA 0.627 4.967 4.340 0.001 0.000 0.277 293 R C -1.457 175.007 176.300 0.274 0.000 1.026 293 R CA -0.584 55.607 56.100 0.152 0.000 1.058 293 R CB 1.521 31.973 30.300 0.254 0.000 1.078 293 R HN 0.511 nan 8.270 nan 0.000 0.509 294 Y N -0.562 119.718 120.300 -0.034 0.000 2.492 294 Y HA 0.612 5.162 4.550 0.001 0.000 0.346 294 Y C -0.992 174.711 175.900 -0.328 0.000 0.997 294 Y CA -1.299 56.733 58.100 -0.114 0.000 1.025 294 Y CB 1.153 39.442 38.460 -0.284 0.000 1.263 294 Y HN 0.299 nan 8.280 nan 0.000 0.454 295 F N 0.535 120.510 119.950 0.042 0.000 2.593 295 F HA 0.511 5.038 4.527 0.001 0.000 0.320 295 F C -0.246 175.586 175.800 0.053 0.000 1.060 295 F CA -1.068 56.971 58.000 0.065 0.000 0.940 295 F CB 2.422 41.493 39.000 0.118 0.000 1.268 295 F HN 0.591 nan 8.300 nan 0.000 0.475 296 E N 1.589 121.975 120.200 0.310 0.000 2.195 296 E HA 0.576 4.927 4.350 0.001 0.000 0.271 296 E C -1.454 175.360 176.600 0.357 0.000 0.923 296 E CA -0.604 55.951 56.400 0.259 0.000 0.790 296 E CB 1.494 31.331 29.700 0.228 0.000 1.155 296 E HN 0.507 nan 8.360 nan 0.000 0.402 297 I N 3.713 124.471 120.570 0.312 0.000 2.321 297 I HA 0.257 4.428 4.170 0.001 0.000 0.291 297 I C 0.254 176.565 176.117 0.324 0.000 0.998 297 I CA -0.221 61.267 61.300 0.313 0.000 1.227 297 I CB 1.596 39.747 38.000 0.251 0.000 1.368 297 I HN 0.548 nan 8.210 nan 0.000 0.466 298 T N 0.549 115.337 114.554 0.390 0.000 2.888 298 T HA 0.293 4.643 4.350 0.001 0.000 0.288 298 T C 0.729 175.645 174.700 0.360 0.000 1.063 298 T CA -0.360 61.929 62.100 0.315 0.000 1.010 298 T CB 1.682 70.674 68.868 0.207 0.000 1.214 298 T HN 0.493 nan 8.240 nan 0.000 0.533 299 S N -1.109 114.760 115.700 0.282 0.000 2.593 299 S HA 0.113 4.583 4.470 0.001 0.000 0.217 299 S C 0.442 175.204 174.600 0.270 0.000 0.966 299 S CA -0.341 58.059 58.200 0.334 0.000 0.914 299 S CB -0.539 62.792 63.200 0.219 0.000 0.776 299 S HN 0.839 nan 8.310 nan 0.000 0.523 300 E N 1.929 122.214 120.200 0.141 0.000 2.130 300 E HA 0.525 4.875 4.350 0.001 0.000 0.284 300 E C -0.116 176.241 176.600 -0.405 0.000 1.018 300 E CA -0.643 55.728 56.400 -0.049 0.000 0.817 300 E CB 1.005 30.701 29.700 -0.007 0.000 1.078 300 E HN 0.427 nan 8.360 nan 0.000 0.396 301 A N 5.902 128.188 122.820 -0.890 0.000 2.567 301 A HA 0.093 4.413 4.320 0.001 0.000 0.240 301 A C -1.667 175.614 177.584 -0.504 0.000 1.053 301 A CA -0.819 50.430 52.037 -1.314 0.000 0.755 301 A CB -0.018 18.530 19.000 -0.754 0.000 0.978 301 A HN 0.648 nan 8.150 nan 0.000 0.507 302 P HA 0.269 nan 4.420 nan 0.000 0.253 302 P C 0.166 177.213 177.300 -0.421 0.000 1.459 302 P CA -0.127 62.688 63.100 -0.474 0.000 0.908 302 P CB -0.397 31.176 31.700 -0.213 0.000 1.470 303 F N -3.955 115.851 119.950 -0.240 0.000 2.547 303 F HA -0.286 4.242 4.527 0.001 0.000 0.660 303 F C 0.552 176.200 175.800 -0.253 0.000 0.492 303 F CA 0.809 58.729 58.000 -0.133 0.000 0.849 303 F CB -1.601 37.354 39.000 -0.074 0.000 1.694 303 F HN 0.060 nan 8.300 nan 0.000 0.262 304 L N 2.578 123.674 121.223 -0.212 0.000 2.287 304 L HA 0.519 4.860 4.340 0.001 0.000 0.287 304 L C -0.411 176.335 176.870 -0.207 0.000 1.022 304 L CA -0.410 54.368 54.840 -0.104 0.000 0.814 304 L CB 0.730 42.739 42.059 -0.083 0.000 1.217 304 L HN 0.138 nan 8.230 nan 0.000 0.420 305 H N 4.509 123.747 119.070 0.280 0.000 2.589 305 H HA 0.181 4.737 4.556 0.001 0.000 0.335 305 H C -1.323 174.179 175.328 0.289 0.000 1.019 305 H CA -0.612 55.580 56.048 0.240 0.000 1.213 305 H CB 1.407 31.244 29.762 0.126 0.000 1.472 305 H HN 0.567 nan 8.280 nan 0.000 0.508 306 Y N 3.161 123.545 120.300 0.141 0.000 2.425 306 Y HA 0.008 4.558 4.550 0.001 0.000 0.331 306 Y C 0.226 175.982 175.900 -0.239 0.000 1.157 306 Y CA 0.152 58.042 58.100 -0.349 0.000 1.372 306 Y CB 0.494 38.731 38.460 -0.372 0.000 1.253 306 Y HN 0.577 nan 8.280 nan 0.000 0.536 307 L N 2.788 123.439 121.223 -0.953 0.000 2.416 307 L HA 0.284 4.625 4.340 0.001 0.000 0.188 307 L C 0.701 176.939 176.870 -1.052 0.000 1.145 307 L CA 0.550 54.987 54.840 -0.673 0.000 0.826 307 L CB -0.180 41.733 42.059 -0.243 0.000 1.064 307 L HN 0.603 nan 8.230 nan 0.000 0.490 308 S N -1.804 112.987 115.700 -1.515 0.000 2.714 308 S HA 0.539 5.010 4.470 0.001 0.000 0.280 308 S C -1.814 172.013 174.600 -1.288 0.000 1.200 308 S CA -0.594 56.895 58.200 -1.185 0.000 0.900 308 S CB 1.343 64.244 63.200 -0.497 0.000 1.235 308 S HN 0.105 nan 8.310 nan 0.000 0.512 309 M N 2.076 121.330 119.600 -0.576 0.000 2.378 309 M HA 0.546 5.026 4.480 0.001 0.000 0.289 309 M C -1.931 174.425 176.300 0.093 0.000 1.136 309 M CA -0.652 54.504 55.300 -0.240 0.000 0.917 309 M CB 1.636 34.218 32.600 -0.029 0.000 1.669 309 M HN 0.672 nan 8.290 nan 0.000 0.461 310 F N 4.041 124.087 119.950 0.159 0.000 2.420 310 F HA 0.603 5.131 4.527 0.001 0.000 0.352 310 F C -0.305 175.534 175.800 0.065 0.000 1.108 310 F CA -0.071 58.024 58.000 0.157 0.000 1.162 310 F CB 0.864 39.963 39.000 0.165 0.000 1.118 310 F HN 0.548 nan 8.300 nan 0.000 0.510 311 S N 4.100 119.379 115.700 -0.702 0.000 2.578 311 S HA 0.902 5.373 4.470 0.001 0.000 0.301 311 S C -0.542 173.540 174.600 -0.863 0.000 1.091 311 S CA -0.098 57.753 58.200 -0.582 0.000 1.032 311 S CB 1.626 64.656 63.200 -0.283 0.000 1.064 311 S HN 0.989 nan 8.310 nan 0.000 0.508 312 S N 0.917 116.330 115.700 -0.478 0.000 2.688 312 S HA 0.522 4.993 4.470 0.001 0.000 0.275 312 S C -0.368 174.131 174.600 -0.170 0.000 1.175 312 S CA -1.074 56.926 58.200 -0.333 0.000 0.818 312 S CB 1.033 64.082 63.200 -0.251 0.000 1.157 312 S HN 0.665 nan 8.310 nan 0.000 0.482 313 K N -0.098 120.234 120.400 -0.114 0.000 2.374 313 K HA 0.281 4.602 4.320 0.001 0.000 0.196 313 K C -0.613 175.950 176.600 -0.060 0.000 1.023 313 K CA 0.376 56.621 56.287 -0.070 0.000 1.103 313 K CB 0.130 32.606 32.500 -0.041 0.000 0.848 313 K HN 0.510 nan 8.250 nan 0.000 0.528 314 E N 0.771 120.911 120.200 -0.100 0.000 2.199 314 E HA 0.113 4.464 4.350 0.001 0.000 0.269 314 E C -0.927 175.617 176.600 -0.093 0.000 0.899 314 E CA -0.505 55.826 56.400 -0.116 0.000 0.772 314 E CB 1.785 31.299 29.700 -0.311 0.000 1.155 314 E HN 0.026 nan 8.360 nan 0.000 0.408 315 S N 2.363 118.051 115.700 -0.020 0.000 2.565 315 S HA 0.196 4.666 4.470 0.001 0.000 0.274 315 S C -0.051 174.578 174.600 0.048 0.000 1.309 315 S CA -1.022 57.185 58.200 0.011 0.000 1.043 315 S CB 0.539 63.756 63.200 0.029 0.000 0.939 315 S HN 0.477 nan 8.310 nan 0.000 0.504 316 Q N 1.895 121.727 119.800 0.053 0.000 2.261 316 Q HA 0.415 4.755 4.340 0.001 0.000 0.252 316 Q C 0.009 176.066 176.000 0.094 0.000 0.915 316 Q CA -0.971 54.891 55.803 0.100 0.000 0.915 316 Q CB 0.809 29.601 28.738 0.091 0.000 1.204 316 Q HN 0.641 nan 8.270 nan 0.000 0.421 317 R N 1.349 121.927 120.500 0.130 0.000 2.432 317 R HA 0.340 4.681 4.340 0.001 0.000 0.260 317 R C -0.009 176.330 176.300 0.064 0.000 0.935 317 R CA 0.438 56.591 56.100 0.088 0.000 1.080 317 R CB 1.277 31.657 30.300 0.135 0.000 1.155 317 R HN 0.911 nan 8.270 nan 0.000 0.531 318 G N 0.753 109.622 108.800 0.115 0.000 2.325 318 G HA2 0.396 4.357 3.960 0.001 0.000 0.297 318 G HA3 0.396 4.357 3.960 0.001 0.000 0.297 318 G C -1.970 173.066 174.900 0.226 0.000 1.448 318 G CA -0.752 44.441 45.100 0.154 0.000 0.838 318 G HN 0.012 nan 8.290 nan 0.000 0.579 319 M N 0.419 120.191 119.600 0.287 0.000 2.296 319 M HA 0.628 5.109 4.480 0.001 0.000 0.268 319 M C -0.202 176.337 176.300 0.399 0.000 1.048 319 M CA 0.160 55.658 55.300 0.330 0.000 0.966 319 M CB 1.575 34.357 32.600 0.303 0.000 1.912 319 M HN 1.441 nan 8.290 nan 0.000 0.484 320 G N 2.182 111.207 108.800 0.375 0.000 2.552 320 G HA2 0.688 4.649 3.960 0.001 0.000 0.324 320 G HA3 0.688 4.649 3.960 0.001 0.000 0.324 320 G C -2.307 172.757 174.900 0.274 0.000 1.217 320 G CA -0.420 44.886 45.100 0.344 0.000 0.989 320 G HN 0.794 nan 8.290 nan 0.000 0.490 321 Y N 0.367 120.674 120.300 0.012 0.000 2.362 321 Y HA 0.524 5.075 4.550 0.001 0.000 0.326 321 Y C -0.522 175.290 175.900 -0.147 0.000 1.083 321 Y CA -1.202 56.740 58.100 -0.264 0.000 1.073 321 Y CB 2.114 40.401 38.460 -0.288 0.000 1.211 321 Y HN 0.609 nan 8.280 nan 0.000 0.433 322 M N 9.316 128.605 119.600 -0.517 0.000 2.162 322 M HA 0.472 4.953 4.480 0.001 0.000 0.356 322 M C -2.599 173.453 176.300 -0.413 0.000 1.303 322 M CA -2.068 53.019 55.300 -0.354 0.000 1.116 322 M CB 0.385 32.860 32.600 -0.208 0.000 1.632 322 M HN 0.391 nan 8.290 nan 0.000 0.469 323 P HA 0.036 nan 4.420 nan 0.000 0.268 323 P C 0.088 177.303 177.300 -0.142 0.000 1.208 323 P CA -0.126 62.902 63.100 -0.120 0.000 0.777 323 P CB 0.471 32.128 31.700 -0.071 0.000 0.875 324 K N 1.961 122.312 120.400 -0.083 0.000 2.113 324 K HA -0.187 4.134 4.320 0.001 0.000 0.208 324 K C 1.758 178.319 176.600 -0.066 0.000 1.047 324 K CA 1.679 57.933 56.287 -0.055 0.000 0.928 324 K CB -0.269 32.239 32.500 0.012 0.000 0.716 324 K HN 0.424 nan 8.250 nan 0.000 0.446 325 R N -0.302 120.157 120.500 -0.068 0.000 2.241 325 R HA -0.077 4.264 4.340 0.001 0.000 0.224 325 R C 2.064 178.304 176.300 -0.101 0.000 1.101 325 R CA 1.003 57.057 56.100 -0.076 0.000 0.995 325 R CB -0.219 30.040 30.300 -0.069 0.000 0.870 325 R HN 0.259 nan 8.270 nan 0.000 0.463 326 G N 0.001 108.730 108.800 -0.118 0.000 3.042 326 G HA2 0.107 4.068 3.960 0.001 0.000 0.212 326 G HA3 0.107 4.068 3.960 0.001 0.000 0.212 326 G C 0.458 175.295 174.900 -0.104 0.000 1.166 326 G CA -0.258 44.769 45.100 -0.122 0.000 0.767 326 G HN 0.017 nan 8.290 nan 0.000 0.546 327 L N 0.414 121.573 121.223 -0.106 0.000 2.399 327 L HA 0.327 4.668 4.340 0.001 0.000 0.266 327 L C 0.116 176.929 176.870 -0.095 0.000 1.114 327 L CA -0.579 54.204 54.840 -0.096 0.000 0.804 327 L CB 1.330 43.345 42.059 -0.073 0.000 1.146 327 L HN 0.069 nan 8.230 nan 0.000 0.451 328 E N 1.362 121.517 120.200 -0.076 0.000 1.856 328 E HA 0.049 4.400 4.350 0.001 0.000 0.263 328 E C 0.845 177.402 176.600 -0.071 0.000 1.137 328 E CA -0.255 56.103 56.400 -0.069 0.000 1.007 328 E CB 0.895 30.566 29.700 -0.049 0.000 1.117 328 E HN 0.432 nan 8.360 nan 0.000 0.438 329 V N 2.580 122.393 119.914 -0.169 0.000 2.392 329 V HA -0.294 3.827 4.120 0.001 0.000 0.249 329 V C 1.520 177.547 176.094 -0.112 0.000 1.059 329 V CA 1.557 63.633 62.300 -0.372 0.000 1.051 329 V CB -0.267 31.241 31.823 -0.524 0.000 0.658 329 V HN 0.563 nan 8.190 nan 0.000 0.455 330 N N -0.225 118.450 118.700 -0.041 0.000 2.550 330 N HA -0.014 4.726 4.740 0.001 0.000 0.186 330 N C 0.701 176.233 175.510 0.036 0.000 1.110 330 N CA 0.715 53.778 53.050 0.020 0.000 0.912 330 N CB 0.014 38.507 38.487 0.009 0.000 0.968 330 N HN 0.581 nan 8.380 nan 0.000 0.448 334 I N 0.612 121.179 120.570 -0.004 0.000 4.070 334 I HA 0.712 4.883 4.170 0.001 0.000 0.328 334 I C 0.382 176.442 176.117 -0.095 0.000 1.298 334 I CA -0.067 61.230 61.300 -0.005 0.000 1.173 334 I CB 1.006 38.973 38.000 -0.055 0.000 1.051 334 I HN 0.323 nan 8.210 nan 0.000 0.409 335 A N 1.201 123.896 122.820 -0.209 0.000 2.610 335 A HA 0.805 5.126 4.320 0.001 0.000 0.291 335 A C -1.153 176.149 177.584 -0.469 0.000 1.086 335 A CA -0.723 51.042 52.037 -0.454 0.000 0.677 335 A CB 1.593 20.234 19.000 -0.597 0.000 1.278 335 A HN 0.239 nan 8.150 nan 0.000 0.414 336 R N 0.913 121.027 120.500 -0.643 0.000 2.512 336 R HA 0.562 4.902 4.340 0.001 0.000 0.291 336 R C -2.034 173.953 176.300 -0.521 0.000 1.097 336 R CA -0.369 55.465 56.100 -0.443 0.000 0.940 336 R CB 0.894 31.049 30.300 -0.242 0.000 1.198 336 R HN 0.585 nan 8.270 nan 0.000 0.429 337 F N 2.895 122.657 119.950 -0.313 0.000 2.379 337 F HA 0.377 4.904 4.527 0.001 0.000 0.332 337 F C -0.286 175.420 175.800 -0.157 0.000 1.096 337 F CA -0.203 57.683 58.000 -0.189 0.000 1.105 337 F CB 0.995 39.830 39.000 -0.275 0.000 1.189 337 F HN 0.388 nan 8.300 nan 0.000 0.515 338 Y N 2.128 122.500 120.300 0.121 0.000 2.464 338 Y HA 0.274 4.824 4.550 0.001 0.000 0.326 338 Y C -0.027 175.988 175.900 0.191 0.000 0.969 338 Y CA -1.034 57.151 58.100 0.142 0.000 1.270 338 Y CB 1.144 39.677 38.460 0.121 0.000 1.103 338 Y HN 0.376 nan 8.280 nan 0.000 0.491 339 K N 4.629 125.174 120.400 0.241 0.000 2.248 339 K HA 0.462 4.782 4.320 0.001 0.000 0.281 339 K C -1.063 175.735 176.600 0.329 0.000 1.054 339 K CA -0.364 56.080 56.287 0.260 0.000 0.903 339 K CB 0.542 33.163 32.500 0.203 0.000 1.077 339 K HN 0.662 nan 8.250 nan 0.000 0.474 340 L N 6.108 127.510 121.223 0.299 0.000 2.290 340 L HA 0.312 4.652 4.340 0.001 0.000 0.284 340 L C -0.408 176.654 176.870 0.321 0.000 1.078 340 L CA -0.568 54.434 54.840 0.270 0.000 0.815 340 L CB 0.400 42.609 42.059 0.249 0.000 1.162 340 L HN 0.841 nan 8.230 nan 0.000 0.435 341 H N 1.279 120.429 119.070 0.132 0.000 3.042 341 H HA 0.410 4.966 4.556 0.001 0.000 0.345 341 H C -0.321 175.068 175.328 0.101 0.000 1.052 341 H CA -0.867 55.246 56.048 0.108 0.000 1.311 341 H CB 1.306 31.126 29.762 0.096 0.000 1.810 341 H HN 0.636 nan 8.280 nan 0.000 0.505 342 E N 1.833 122.118 120.200 0.142 0.000 3.302 342 E HA -0.308 4.042 4.350 0.001 0.000 0.430 342 E C 0.119 176.748 176.600 0.048 0.000 1.543 342 E CA 1.546 57.996 56.400 0.082 0.000 1.197 342 E CB -0.782 28.962 29.700 0.073 0.000 1.429 342 E HN 0.826 nan 8.360 nan 0.000 0.455 343 R N 2.244 122.746 120.500 0.005 0.000 2.700 343 R HA 0.370 4.711 4.340 0.001 0.000 0.399 343 R C 0.321 176.614 176.300 -0.012 0.000 1.115 343 R CA -0.045 56.064 56.100 0.015 0.000 1.058 343 R CB 0.984 31.298 30.300 0.023 0.000 1.389 343 R HN 0.211 nan 8.270 nan 0.000 0.582 344 K N 0.494 120.845 120.400 -0.083 0.000 2.469 344 K HA 0.347 4.667 4.320 0.001 0.000 0.254 344 K C -1.587 174.986 176.600 -0.045 0.000 0.939 344 K CA -0.580 55.640 56.287 -0.111 0.000 0.812 344 K CB 2.587 34.900 32.500 -0.312 0.000 1.301 344 K HN 0.104 nan 8.250 nan 0.000 0.433 345 C N 3.227 122.601 119.300 0.123 0.000 2.319 345 C HA 0.502 4.963 4.460 0.001 0.000 0.323 345 C C -0.948 174.216 174.990 0.290 0.000 1.277 345 C CA -0.277 58.894 59.018 0.254 0.000 1.517 345 C CB 0.247 28.186 27.740 0.332 0.000 2.206 345 C HN 0.954 nan 8.230 nan 0.000 0.486 346 E N 7.010 127.347 120.200 0.227 0.000 2.186 346 E HA 0.451 4.801 4.350 0.001 0.000 0.255 346 E C -2.639 173.938 176.600 -0.040 0.000 0.881 346 E CA -1.792 54.691 56.400 0.138 0.000 0.752 346 E CB 1.538 31.409 29.700 0.286 0.000 1.176 346 E HN 0.503 nan 8.360 nan 0.000 0.421 347 P HA 0.155 nan 4.420 nan 0.000 0.271 347 P C -0.780 176.312 177.300 -0.346 0.000 1.216 347 P CA 0.168 62.896 63.100 -0.620 0.000 0.771 347 P CB 0.586 31.892 31.700 -0.656 0.000 0.864 348 I N 1.975 122.334 120.570 -0.352 0.000 2.468 348 I HA 0.421 4.591 4.170 0.001 0.000 0.284 348 I C 0.149 176.079 176.117 -0.311 0.000 1.038 348 I CA -0.922 60.183 61.300 -0.325 0.000 1.083 348 I CB 1.709 39.437 38.000 -0.454 0.000 1.223 348 I HN 0.278 nan 8.210 nan 0.000 0.443 349 A N 8.072 130.722 122.820 -0.284 0.000 2.388 349 A HA 0.709 5.030 4.320 0.001 0.000 0.257 349 A C -0.127 177.263 177.584 -0.323 0.000 1.095 349 A CA -0.177 51.697 52.037 -0.272 0.000 0.791 349 A CB 0.393 19.259 19.000 -0.223 0.000 1.029 349 A HN 0.605 nan 8.150 nan 0.000 0.489 350 M N 2.491 121.908 119.600 -0.305 0.000 2.167 350 M HA 0.383 4.864 4.480 0.001 0.000 0.333 350 M C -0.517 175.590 176.300 -0.321 0.000 1.030 350 M CA 0.061 55.170 55.300 -0.320 0.000 0.963 350 M CB 0.641 33.094 32.600 -0.246 0.000 1.589 350 M HN 0.612 nan 8.290 nan 0.000 0.431 351 T N 2.550 116.808 114.554 -0.494 0.000 2.841 351 T HA 0.603 4.954 4.350 0.001 0.000 0.283 351 T C -0.200 174.366 174.700 -0.222 0.000 1.000 351 T CA -0.535 61.305 62.100 -0.432 0.000 0.977 351 T CB 2.304 70.745 68.868 -0.711 0.000 0.979 351 T HN 0.379 nan 8.240 nan 0.000 0.446 352 V N 5.617 125.515 119.914 -0.026 0.000 2.406 352 V HA 0.308 4.428 4.120 0.001 0.000 0.272 352 V C -1.972 174.208 176.094 0.143 0.000 1.043 352 V CA -1.891 60.464 62.300 0.092 0.000 0.915 352 V CB 0.710 32.567 31.823 0.057 0.000 0.988 352 V HN 0.704 nan 8.190 nan 0.000 0.466 353 P HA 0.358 nan 4.420 nan 0.000 0.274 353 P C -0.381 176.982 177.300 0.105 0.000 1.291 353 P CA 0.066 63.305 63.100 0.232 0.000 0.815 353 P CB 0.424 32.261 31.700 0.228 0.000 0.897 354 R N 2.617 123.165 120.500 0.080 0.000 2.764 354 R HA 0.518 4.859 4.340 0.001 0.000 0.270 354 R C -0.521 175.803 176.300 0.041 0.000 1.014 354 R CA -0.996 55.127 56.100 0.038 0.000 0.904 354 R CB 2.185 32.496 30.300 0.017 0.000 1.236 354 R HN 0.227 nan 8.270 nan 0.000 0.466 355 K N 1.311 121.726 120.400 0.024 0.000 2.656 355 K HA 0.374 4.695 4.320 0.001 0.000 0.241 355 K C -1.303 175.309 176.600 0.019 0.000 0.967 355 K CA -0.299 56.002 56.287 0.024 0.000 0.946 355 K CB 1.928 34.438 32.500 0.017 0.000 1.164 355 K HN 0.563 nan 8.250 nan 0.000 0.459 356 S N 1.148 116.864 115.700 0.026 0.000 2.550 356 S HA 0.319 4.789 4.470 0.001 0.000 0.270 356 S C -0.640 173.981 174.600 0.036 0.000 1.145 356 S CA -0.526 57.690 58.200 0.026 0.000 0.852 356 S CB 1.183 64.396 63.200 0.023 0.000 1.119 356 S HN 0.412 nan 8.310 nan 0.000 0.465 357 D N 1.780 122.202 120.400 0.036 0.000 2.339 357 D HA 0.271 4.911 4.640 0.001 0.000 0.217 357 D C 0.245 176.581 176.300 0.060 0.000 1.050 357 D CA 0.450 54.475 54.000 0.042 0.000 0.856 357 D CB 0.174 40.992 40.800 0.031 0.000 0.922 357 D HN 0.399 nan 8.370 nan 0.000 0.518 358 L N 0.235 121.497 121.223 0.067 0.000 2.375 358 L HA 0.319 4.660 4.340 0.001 0.000 0.268 358 L C 0.163 177.120 176.870 0.144 0.000 1.058 358 L CA -1.149 53.751 54.840 0.099 0.000 0.803 358 L CB 0.956 43.061 42.059 0.077 0.000 1.212 358 L HN -0.153 nan 8.230 nan 0.000 0.451 359 F N 1.991 121.961 119.950 0.032 0.000 2.543 359 F HA 0.062 4.589 4.527 0.000 0.000 0.375 359 F C 0.431 176.285 175.800 0.089 0.000 1.075 359 F CA -0.321 57.707 58.000 0.048 0.000 1.225 359 F CB 0.409 39.424 39.000 0.025 0.000 1.099 359 F HN 0.361 nan 8.300 nan 0.000 0.561 360 Q N 6.462 125.996 119.800 -0.443 0.000 2.553 360 Q HA 0.056 4.396 4.340 0.001 0.000 0.221 360 Q C 1.025 176.710 176.000 -0.525 0.000 1.219 360 Q CA 0.116 55.724 55.803 -0.324 0.000 0.955 360 Q CB 0.594 29.250 28.738 -0.136 0.000 1.399 360 Q HN 0.847 nan 8.270 nan 0.000 0.551 361 E N 1.413 121.372 120.200 -0.402 0.000 2.118 361 E HA -0.213 4.138 4.350 0.001 0.000 0.195 361 E C 1.173 177.690 176.600 -0.138 0.000 0.992 361 E CA 1.400 57.660 56.400 -0.233 0.000 0.804 361 E CB 0.338 30.047 29.700 0.016 0.000 0.741 361 E HN 0.606 nan 8.360 nan 0.000 0.458 362 D N 0.761 121.080 120.400 -0.135 0.000 2.219 362 D HA -0.179 4.462 4.640 0.001 0.000 0.205 362 D C 1.888 178.103 176.300 -0.142 0.000 0.970 362 D CA 0.836 54.772 54.000 -0.106 0.000 0.851 362 D CB -0.267 40.468 40.800 -0.109 0.000 0.943 362 D HN 0.267 nan 8.370 nan 0.000 0.488 363 L N -1.432 119.627 121.223 -0.273 0.000 2.270 363 L HA 0.014 4.354 4.340 0.001 0.000 0.210 363 L C 0.470 176.986 176.870 -0.589 0.000 1.104 363 L CA 0.463 55.036 54.840 -0.444 0.000 0.804 363 L CB -0.026 41.599 42.059 -0.723 0.000 0.937 363 L HN -0.077 nan 8.230 nan 0.000 0.450 364 Y N 0.365 120.587 120.300 -0.130 0.000 2.658 364 Y HA 0.325 4.875 4.550 0.001 0.000 0.362 364 Y C -2.154 173.765 175.900 0.031 0.000 1.017 364 Y CA -3.220 54.847 58.100 -0.055 0.000 1.134 364 Y CB -0.129 38.275 38.460 -0.093 0.000 1.144 364 Y HN -0.054 nan 8.280 nan 0.000 0.655 365 P HA 0.140 nan 4.420 nan 0.000 0.272 365 P C -2.568 174.808 177.300 0.126 0.000 1.240 365 P CA -1.474 61.696 63.100 0.118 0.000 0.791 365 P CB 0.595 32.339 31.700 0.073 0.000 0.978 366 P HA 0.051 nan 4.420 nan 0.000 0.264 366 P C -0.005 177.314 177.300 0.031 0.000 1.179 366 P CA 0.828 63.940 63.100 0.020 0.000 0.763 366 P CB 0.142 31.835 31.700 -0.011 0.000 0.806 367 T N 1.398 115.959 114.554 0.012 0.000 2.916 367 T HA 0.648 4.998 4.350 0.001 0.000 0.292 367 T C -0.801 173.914 174.700 0.025 0.000 1.055 367 T CA -0.750 61.369 62.100 0.031 0.000 1.009 367 T CB 0.662 69.558 68.868 0.046 0.000 1.118 367 T HN 0.328 nan 8.240 nan 0.000 0.497 368 A N 1.936 124.782 122.820 0.043 0.000 2.548 368 A HA 0.545 4.866 4.320 0.001 0.000 0.247 368 A C 0.884 178.499 177.584 0.052 0.000 1.067 368 A CA 0.380 52.450 52.037 0.055 0.000 0.757 368 A CB -0.608 18.432 19.000 0.067 0.000 0.996 368 A HN 1.006 nan 8.150 nan 0.000 0.504 369 G N 1.549 110.389 108.800 0.066 0.000 2.613 369 G HA2 0.601 4.562 3.960 0.001 0.000 0.303 369 G HA3 0.601 4.562 3.960 0.001 0.000 0.303 369 G C -1.543 173.427 174.900 0.117 0.000 1.312 369 G CA -0.805 44.339 45.100 0.072 0.000 1.036 369 G HN 0.482 nan 8.290 nan 0.000 0.513 370 P HA 0.098 nan 4.420 nan 0.000 0.245 370 P C -0.293 177.118 177.300 0.186 0.000 1.206 370 P CA 0.281 63.470 63.100 0.148 0.000 0.781 370 P CB 0.503 32.239 31.700 0.060 0.000 0.994 371 D N 1.751 122.206 120.400 0.091 0.000 2.249 371 D HA 0.252 4.892 4.640 0.001 0.000 0.246 371 D C -2.322 173.878 176.300 -0.166 0.000 1.114 371 D CA -2.659 51.330 54.000 -0.019 0.000 0.854 371 D CB 0.770 41.568 40.800 -0.002 0.000 1.132 371 D HN -0.007 nan 8.370 nan 0.000 0.461 372 P HA 0.146 nan 4.420 nan 0.000 0.269 372 P C -0.314 176.856 177.300 -0.216 0.000 1.209 372 P CA -0.224 62.545 63.100 -0.552 0.000 0.776 372 P CB 1.051 32.434 31.700 -0.527 0.000 0.876 373 A N 3.273 126.006 122.820 -0.146 0.000 2.132 373 A HA 0.170 4.491 4.320 0.001 0.000 0.213 373 A C 0.662 178.229 177.584 -0.029 0.000 1.154 373 A CA 1.007 53.015 52.037 -0.048 0.000 0.753 373 A CB -0.361 18.640 19.000 0.002 0.000 0.826 373 A HN 0.496 nan 8.150 nan 0.000 0.469 374 L N -0.698 120.492 121.223 -0.054 0.000 2.424 374 L HA 0.368 4.708 4.340 0.001 0.000 0.258 374 L C 0.150 176.997 176.870 -0.038 0.000 0.995 374 L CA -0.897 53.937 54.840 -0.011 0.000 0.821 374 L CB 2.398 44.488 42.059 0.052 0.000 1.383 374 L HN 0.207 nan 8.230 nan 0.000 0.410 375 T N -1.626 112.928 114.554 -0.001 0.000 2.828 375 T HA 0.388 4.739 4.350 0.001 0.000 0.290 375 T C 1.182 175.903 174.700 0.036 0.000 1.019 375 T CA 0.055 62.157 62.100 0.004 0.000 1.031 375 T CB 1.605 70.484 68.868 0.019 0.000 1.001 375 T HN 0.680 nan 8.240 nan 0.000 0.531 376 A N 1.091 123.934 122.820 0.038 0.000 1.892 376 A HA -0.129 4.192 4.320 0.001 0.000 0.218 376 A C 2.353 180.024 177.584 0.146 0.000 1.188 376 A CA 1.510 53.600 52.037 0.088 0.000 0.631 376 A CB -0.912 18.141 19.000 0.089 0.000 0.822 376 A HN 0.897 nan 8.150 nan 0.000 0.447 377 E N -0.173 120.082 120.200 0.093 0.000 2.110 377 E HA -0.176 4.174 4.350 0.001 0.000 0.193 377 E C 1.952 178.590 176.600 0.064 0.000 0.988 377 E CA 1.311 57.755 56.400 0.073 0.000 0.804 377 E CB -0.377 29.351 29.700 0.047 0.000 0.745 377 E HN 0.786 nan 8.360 nan 0.000 0.458 378 E N -0.299 119.943 120.200 0.070 0.000 2.051 378 E HA -0.198 4.152 4.350 0.001 0.000 0.192 378 E C 1.835 178.484 176.600 0.083 0.000 0.991 378 E CA 1.125 57.561 56.400 0.061 0.000 0.799 378 E CB -0.257 29.480 29.700 0.063 0.000 0.748 378 E HN 0.278 nan 8.360 nan 0.000 0.449 379 W N 1.313 122.580 121.300 -0.055 0.000 2.355 379 W HA -0.134 4.526 4.660 0.001 0.000 0.309 379 W C 1.763 178.266 176.519 -0.026 0.000 1.206 379 W CA 1.234 58.541 57.345 -0.064 0.000 1.284 379 W CB -0.295 29.060 29.460 -0.175 0.000 1.145 379 W HN -0.035 nan 8.180 nan 0.000 0.502 380 L N 0.412 121.636 121.223 0.003 0.000 2.127 380 L HA -0.113 4.228 4.340 0.001 0.000 0.211 380 L C 2.510 179.255 176.870 -0.209 0.000 1.089 380 L CA 1.414 56.153 54.840 -0.169 0.000 0.757 380 L CB -1.350 40.731 42.059 0.037 0.000 0.899 380 L HN 0.236 nan 8.230 nan 0.000 0.434 381 G N -1.454 107.272 108.800 -0.123 0.000 2.848 381 G HA2 0.207 4.167 3.960 0.001 0.000 0.208 381 G HA3 0.207 4.167 3.960 0.001 0.000 0.208 381 G C 1.183 176.002 174.900 -0.134 0.000 1.152 381 G CA 0.579 45.618 45.100 -0.101 0.000 0.789 381 G HN 0.541 nan 8.290 nan 0.000 0.531 382 G N -0.926 107.741 108.800 -0.221 0.000 2.192 382 G HA2 -0.204 3.757 3.960 0.001 0.000 0.193 382 G HA3 -0.204 3.757 3.960 0.001 0.000 0.193 382 G C 0.427 175.238 174.900 -0.147 0.000 0.999 382 G CA -0.320 44.649 45.100 -0.219 0.000 0.659 382 G HN 0.509 nan 8.290 nan 0.000 0.503 383 R N 0.855 121.299 120.500 -0.093 0.000 2.543 383 R HA 0.453 4.794 4.340 0.001 0.000 0.277 383 R C -0.823 175.521 176.300 0.073 0.000 1.074 383 R CA 0.031 56.133 56.100 0.003 0.000 1.076 383 R CB 0.444 30.770 30.300 0.042 0.000 0.993 383 R HN 0.187 nan 8.270 nan 0.000 0.459 384 D N 0.351 120.817 120.400 0.110 0.000 2.433 384 D HA 0.616 5.257 4.640 0.001 0.000 0.236 384 D C -1.085 175.308 176.300 0.155 0.000 1.026 384 D CA -0.330 53.789 54.000 0.198 0.000 0.884 384 D CB 2.229 43.124 40.800 0.158 0.000 1.384 384 D HN 0.574 nan 8.370 nan 0.000 0.477 385 A N 0.447 123.369 122.820 0.171 0.000 2.566 385 A HA 0.655 4.976 4.320 0.001 0.000 0.297 385 A C 0.018 177.662 177.584 0.100 0.000 1.059 385 A CA -0.603 51.500 52.037 0.111 0.000 0.691 385 A CB 1.484 20.537 19.000 0.089 0.000 1.282 385 A HN 0.489 nan 8.150 nan 0.000 0.401 386 G N 1.385 110.230 108.800 0.075 0.000 2.634 386 G HA2 0.564 4.524 3.960 0.001 0.000 0.255 386 G HA3 0.564 4.524 3.960 0.001 0.000 0.255 386 G C -2.305 172.631 174.900 0.060 0.000 1.205 386 G CA -1.157 43.981 45.100 0.064 0.000 0.884 386 G HN 0.562 nan 8.290 nan 0.000 0.549 387 P HA 0.091 nan 4.420 nan 0.000 0.269 387 P C -0.049 177.284 177.300 0.055 0.000 1.209 387 P CA -0.070 63.071 63.100 0.068 0.000 0.776 387 P CB 0.836 32.584 31.700 0.080 0.000 0.876 388 L N 2.874 124.126 121.223 0.048 0.000 2.410 388 L HA 0.205 4.546 4.340 0.001 0.000 0.273 388 L C 0.785 177.684 176.870 0.048 0.000 1.144 388 L CA -0.255 54.610 54.840 0.043 0.000 0.863 388 L CB -0.280 41.799 42.059 0.032 0.000 1.140 388 L HN 0.223 nan 8.230 nan 0.000 0.463 389 L N 5.192 126.437 121.223 0.037 0.000 2.360 389 L HA 0.611 4.952 4.340 0.001 0.000 0.271 389 L C 0.072 176.929 176.870 -0.022 0.000 1.057 389 L CA -0.602 54.245 54.840 0.013 0.000 0.803 389 L CB 1.585 43.648 42.059 0.006 0.000 1.207 389 L HN 0.577 nan 8.230 nan 0.000 0.445 390 I N -1.936 118.577 120.570 -0.095 0.000 3.042 390 I HA 0.572 4.743 4.170 0.001 0.000 0.310 390 I C -0.362 175.464 176.117 -0.485 0.000 1.117 390 I CA -0.644 60.467 61.300 -0.316 0.000 1.003 390 I CB 2.219 40.159 38.000 -0.100 0.000 1.228 390 I HN 0.463 nan 8.210 nan 0.000 0.443 391 S N 2.246 117.315 115.700 -1.050 0.000 2.525 391 S HA 0.502 4.973 4.470 0.001 0.000 0.278 391 S C 0.525 174.885 174.600 -0.401 0.000 1.234 391 S CA -0.717 57.102 58.200 -0.634 0.000 1.058 391 S CB 0.856 63.651 63.200 -0.676 0.000 0.983 391 S HN 0.675 nan 8.310 nan 0.000 0.495 392 L N 3.279 124.400 121.223 -0.171 0.000 2.591 392 L HA 0.247 4.588 4.340 0.001 0.000 0.228 392 L C 1.317 178.012 176.870 -0.291 0.000 1.133 392 L CA 0.118 54.884 54.840 -0.123 0.000 0.880 392 L CB -0.230 41.830 42.059 0.002 0.000 1.033 392 L HN 0.616 nan 8.230 nan 0.000 0.450 393 K N 1.228 121.235 120.400 -0.656 0.000 2.448 393 K HA -0.024 4.296 4.320 0.001 0.000 0.278 393 K C -0.331 176.032 176.600 -0.395 0.000 1.009 393 K CA -0.475 55.206 56.287 -1.010 0.000 0.995 393 K CB 0.514 32.290 32.500 -1.206 0.000 0.917 393 K HN -0.092 nan 8.250 nan 0.000 0.481 394 D N 2.319 122.545 120.400 -0.290 0.000 2.583 394 D HA 0.003 4.644 4.640 0.001 0.000 0.232 394 D C 1.099 177.330 176.300 -0.114 0.000 1.128 394 D CA 1.907 55.820 54.000 -0.145 0.000 0.859 394 D CB 0.659 41.400 40.800 -0.099 0.000 1.169 394 D HN 0.814 nan 8.370 nan 0.000 0.481 395 G N 2.191 110.950 108.800 -0.069 0.000 2.259 395 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 395 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 395 G C 0.179 175.058 174.900 -0.036 0.000 1.001 395 G CA -0.141 44.926 45.100 -0.055 0.000 0.627 395 G HN 0.538 nan 8.290 nan 0.000 0.501 396 Y N 2.593 122.815 120.300 -0.130 0.000 2.531 396 Y HA 0.486 5.036 4.550 0.000 0.000 0.347 396 Y C 0.585 176.433 175.900 -0.087 0.000 1.024 396 Y CA -0.371 57.665 58.100 -0.106 0.000 1.306 396 Y CB 0.875 39.262 38.460 -0.122 0.000 1.149 396 Y HN 0.155 nan 8.280 nan 0.000 0.527 397 V N 9.563 129.265 119.914 -0.353 0.000 2.432 397 V HA 0.218 4.338 4.120 0.001 0.000 0.271 397 V C -1.740 174.242 176.094 -0.187 0.000 1.046 397 V CA -1.705 60.472 62.300 -0.204 0.000 0.945 397 V CB 0.427 32.135 31.823 -0.192 0.000 0.992 397 V HN 0.720 nan 8.190 nan 0.000 0.471 398 P HA 0.278 nan 4.420 nan 0.000 0.272 398 P C -2.649 174.647 177.300 -0.007 0.000 1.230 398 P CA -1.331 61.809 63.100 0.066 0.000 0.788 398 P CB -0.196 31.539 31.700 0.059 0.000 0.949 399 P HA 0.102 nan 4.420 nan 0.000 0.267 399 P C -0.037 177.259 177.300 -0.007 0.000 1.200 399 P CA 0.252 63.351 63.100 -0.001 0.000 0.772 399 P CB 0.320 32.035 31.700 0.025 0.000 0.855 400 K N 0.945 121.335 120.400 -0.017 0.000 2.295 400 K HA 0.236 4.556 4.320 0.001 0.000 0.270 400 K C 0.603 177.202 176.600 -0.002 0.000 1.011 400 K CA -0.286 55.993 56.287 -0.013 0.000 0.953 400 K CB 0.288 32.778 32.500 -0.016 0.000 0.956 400 K HN 0.522 nan 8.250 nan 0.000 0.477 401 S N 2.292 117.994 115.700 0.003 0.000 2.593 401 S HA 0.232 4.702 4.470 0.001 0.000 0.269 401 S C 0.238 174.844 174.600 0.010 0.000 1.334 401 S CA -0.753 57.454 58.200 0.013 0.000 1.015 401 S CB 1.055 64.265 63.200 0.016 0.000 0.912 401 S HN 0.461 nan 8.310 nan 0.000 0.541 402 R N 0.000 120.506 120.500 0.011 0.000 2.786 402 R HA 0.000 4.341 4.340 0.001 0.000 0.208 402 R CA 0.000 56.105 56.100 0.008 0.000 0.921 402 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 402 R HN 0.000 nan 8.270 nan 0.000 0.535