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 2ono_1_E DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGQE LGEYGLQAYT EVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.618 177.584 0.057 0.000 1.274 7 A CA 0.000 52.073 52.037 0.061 0.000 0.836 7 A CB 0.000 19.038 19.000 0.063 0.000 0.831 8 V N 2.821 122.739 119.914 0.006 0.000 2.448 8 V HA 0.596 4.716 4.120 -0.000 0.000 0.295 8 V C -2.071 173.976 176.094 -0.078 0.000 1.025 8 V CA -1.602 60.624 62.300 -0.122 0.000 0.859 8 V CB 1.315 33.061 31.823 -0.129 0.000 0.988 8 V HN 0.801 nan 8.190 nan 0.000 0.431 9 P HA 0.296 nan 4.420 nan 0.000 0.268 9 P C -0.154 177.159 177.300 0.021 0.000 1.205 9 P CA -0.076 62.996 63.100 -0.047 0.000 0.771 9 P CB 0.477 32.143 31.700 -0.056 0.000 0.858 10 A N 4.794 127.613 122.820 -0.001 0.000 2.524 10 A HA 0.332 4.652 4.320 -0.000 0.000 0.250 10 A C -1.704 175.805 177.584 -0.125 0.000 1.078 10 A CA -0.651 51.359 52.037 -0.045 0.000 0.761 10 A CB -1.075 17.896 19.000 -0.049 0.000 1.012 10 A HN 0.435 nan 8.150 nan 0.000 0.500 11 P HA 0.166 nan 4.420 nan 0.000 0.279 11 P C -0.722 176.376 177.300 -0.337 0.000 1.252 11 P CA -0.819 61.999 63.100 -0.470 0.000 0.811 11 P CB 0.687 31.667 31.700 -1.199 0.000 1.035 12 N N 1.520 120.078 118.700 -0.236 0.000 2.415 12 N HA 0.010 4.749 4.740 -0.000 0.000 0.250 12 N C 0.966 176.216 175.510 -0.433 0.000 1.127 12 N CA 0.232 53.143 53.050 -0.232 0.000 0.945 12 N CB 0.224 38.665 38.487 -0.077 0.000 1.196 12 N HN 0.254 nan 8.380 nan 0.000 0.499 13 Q N 1.814 121.230 119.800 -0.640 0.000 2.364 13 Q HA -0.101 4.239 4.340 -0.000 0.000 0.207 13 Q C -0.177 175.461 176.000 -0.605 0.000 0.970 13 Q CA 1.017 56.155 55.803 -1.109 0.000 0.888 13 Q CB 0.219 28.436 28.738 -0.868 0.000 0.951 13 Q HN 0.626 nan 8.270 nan 0.000 0.469 14 Q N 0.676 120.278 119.800 -0.331 0.000 3.075 14 Q HA 0.211 4.551 4.340 -0.000 0.000 0.318 14 Q C -2.444 173.479 176.000 -0.127 0.000 0.907 14 Q CA -1.520 54.171 55.803 -0.186 0.000 0.882 14 Q CB 1.370 30.018 28.738 -0.150 0.000 1.386 14 Q HN 0.078 nan 8.270 nan 0.000 0.408 15 P HA -0.047 nan 4.420 nan 0.000 0.271 15 P C -0.414 176.844 177.300 -0.070 0.000 1.216 15 P CA -0.043 63.046 63.100 -0.019 0.000 0.771 15 P CB 0.969 32.652 31.700 -0.028 0.000 0.864 16 E N 2.048 122.170 120.200 -0.131 0.000 2.338 16 E HA 0.195 4.544 4.350 -0.000 0.000 0.272 16 E C -0.663 175.568 176.600 -0.616 0.000 1.029 16 E CA -0.651 55.536 56.400 -0.354 0.000 0.872 16 E CB 0.650 30.104 29.700 -0.409 0.000 1.015 16 E HN 0.158 nan 8.360 nan 0.000 0.417 17 V N 6.391 126.034 119.914 -0.452 0.000 2.432 17 V HA 0.070 4.190 4.120 -0.000 0.000 0.271 17 V C 0.242 176.074 176.094 -0.437 0.000 1.046 17 V CA 0.050 62.135 62.300 -0.359 0.000 0.945 17 V CB 0.546 32.265 31.823 -0.173 0.000 0.992 17 V HN 0.699 nan 8.190 nan 0.000 0.471 18 F N 1.815 121.789 119.950 0.039 0.000 2.582 18 F HA 0.223 4.750 4.527 -0.001 0.000 0.290 18 F C 1.048 176.737 175.800 -0.185 0.000 1.115 18 F CA -0.126 57.853 58.000 -0.034 0.000 1.445 18 F CB 0.134 39.158 39.000 0.039 0.000 1.126 18 F HN 0.388 nan 8.300 nan 0.000 0.574 19 C N 2.101 121.380 119.300 -0.035 0.000 2.369 19 C HA 0.468 4.928 4.460 -0.000 0.000 0.322 19 C C 0.446 175.248 174.990 -0.314 0.000 1.258 19 C CA -0.851 57.885 59.018 -0.471 0.000 1.487 19 C CB 0.624 28.018 27.740 -0.577 0.000 2.165 19 C HN 0.569 nan 8.230 nan 0.000 0.483 20 N N 0.734 119.216 118.700 -0.363 0.000 2.162 20 N HA 0.025 4.765 4.740 -0.000 0.000 0.232 20 N C -0.359 175.096 175.510 -0.092 0.000 1.361 20 N CA -0.267 52.677 53.050 -0.176 0.000 0.786 20 N CB 0.019 38.406 38.487 -0.166 0.000 1.290 20 N HN 0.805 nan 8.380 nan 0.000 0.505 21 Q N -0.077 119.709 119.800 -0.024 0.000 2.934 21 Q HA 0.576 4.916 4.340 -0.000 0.000 0.219 21 Q C -0.386 175.936 176.000 0.537 0.000 1.024 21 Q CA -0.914 55.029 55.803 0.234 0.000 0.928 21 Q CB 1.668 30.573 28.738 0.278 0.000 1.594 21 Q HN 0.051 nan 8.270 nan 0.000 0.485 22 I N 1.353 122.231 120.570 0.513 0.000 2.359 22 I HA 0.227 4.396 4.170 -0.000 0.000 0.294 22 I C -0.960 175.373 176.117 0.361 0.000 0.987 22 I CA -0.374 61.170 61.300 0.406 0.000 1.225 22 I CB 0.763 38.892 38.000 0.216 0.000 1.366 22 I HN 0.463 nan 8.210 nan 0.000 0.466 23 F N 8.051 127.944 119.950 -0.096 0.000 2.350 23 F HA 0.518 5.045 4.527 -0.000 0.000 0.365 23 F C -0.302 175.343 175.800 -0.258 0.000 1.122 23 F CA -0.302 57.393 58.000 -0.508 0.000 1.139 23 F CB 0.322 38.784 39.000 -0.897 0.000 1.220 23 F HN 0.191 nan 8.300 nan 0.000 0.499 24 I N 5.544 125.840 120.570 -0.457 0.000 2.533 24 I HA 0.204 4.373 4.170 -0.000 0.000 0.290 24 I C -0.255 175.620 176.117 -0.403 0.000 1.056 24 I CA -1.068 60.000 61.300 -0.387 0.000 1.057 24 I CB 1.755 39.491 38.000 -0.440 0.000 1.240 24 I HN 0.472 nan 8.210 nan 0.000 0.423 25 N N 4.957 123.450 118.700 -0.346 0.000 2.727 25 N HA -0.242 4.497 4.740 -0.000 0.000 0.249 25 N C 0.053 175.338 175.510 -0.376 0.000 1.048 25 N CA 1.146 54.040 53.050 -0.259 0.000 0.714 25 N CB -0.986 37.421 38.487 -0.133 0.000 0.959 25 N HN 0.939 nan 8.380 nan 0.000 0.544 26 N N -1.325 116.945 118.700 -0.716 0.000 2.741 26 N HA -0.231 4.508 4.740 -0.000 0.000 0.250 26 N C -0.876 174.108 175.510 -0.876 0.000 1.115 26 N CA 1.105 53.644 53.050 -0.850 0.000 0.724 26 N CB -0.361 38.003 38.487 -0.205 0.000 1.090 26 N HN 0.593 nan 8.380 nan 0.000 0.558 27 E N -0.787 118.824 120.200 -0.982 0.000 2.317 27 E HA 0.304 4.653 4.350 -0.000 0.000 0.270 27 E C -1.079 175.226 176.600 -0.492 0.000 0.885 27 E CA -0.652 55.423 56.400 -0.541 0.000 0.760 27 E CB 1.164 30.694 29.700 -0.282 0.000 1.227 27 E HN 0.135 nan 8.360 nan 0.000 0.434 28 W N 2.987 124.227 121.300 -0.100 0.000 2.332 28 W HA 0.237 4.897 4.660 -0.000 0.000 0.306 28 W C 0.373 176.840 176.519 -0.086 0.000 1.149 28 W CA -0.298 57.074 57.345 0.045 0.000 1.271 28 W CB 0.594 30.115 29.460 0.102 0.000 1.243 28 W HN 0.308 nan 8.180 nan 0.000 0.459 29 H N 1.843 121.045 119.070 0.220 0.000 2.616 29 H HA 0.261 4.817 4.556 -0.000 0.000 0.353 29 H C -0.605 174.814 175.328 0.151 0.000 1.170 29 H CA -1.030 55.097 56.048 0.133 0.000 1.212 29 H CB 1.900 31.694 29.762 0.053 0.000 1.653 29 H HN 0.187 nan 8.280 nan 0.000 0.537 30 D N 0.399 120.931 120.400 0.220 0.000 2.294 30 D HA 0.293 4.933 4.640 -0.000 0.000 0.250 30 D C 0.127 176.509 176.300 0.138 0.000 1.058 30 D CA -0.495 53.595 54.000 0.150 0.000 0.950 30 D CB 1.377 42.234 40.800 0.097 0.000 1.158 30 D HN 0.623 nan 8.370 nan 0.000 0.453 31 A N 0.922 123.806 122.820 0.106 0.000 2.520 31 A HA 0.057 4.377 4.320 -0.000 0.000 0.235 31 A C 1.582 179.211 177.584 0.075 0.000 1.065 31 A CA -0.325 51.764 52.037 0.087 0.000 0.764 31 A CB 0.235 19.283 19.000 0.081 0.000 1.002 31 A HN 0.438 nan 8.150 nan 0.000 0.502 32 V N 2.544 122.495 119.914 0.061 0.000 2.380 32 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 32 V C 2.736 178.859 176.094 0.050 0.000 1.063 32 V CA 2.766 65.098 62.300 0.053 0.000 1.055 32 V CB -1.012 30.835 31.823 0.040 0.000 0.657 32 V HN 1.147 nan 8.190 nan 0.000 0.455 33 S N -1.028 114.703 115.700 0.052 0.000 2.481 33 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 33 S C 1.325 175.957 174.600 0.053 0.000 0.996 33 S CA 0.417 58.647 58.200 0.051 0.000 0.942 33 S CB -0.126 63.108 63.200 0.056 0.000 0.768 33 S HN 0.515 nan 8.310 nan 0.000 0.520 34 R N -0.120 120.414 120.500 0.058 0.000 3.954 34 R HA -0.096 4.244 4.340 -0.000 0.000 0.422 34 R C -0.721 175.613 176.300 0.057 0.000 1.091 34 R CA 1.132 57.265 56.100 0.055 0.000 1.168 34 R CB -2.421 27.906 30.300 0.045 0.000 1.752 34 R HN 0.596 nan 8.270 nan 0.000 0.547 35 K N 1.404 121.846 120.400 0.070 0.000 2.295 35 K HA 0.266 4.586 4.320 -0.000 0.000 0.270 35 K C 0.883 177.539 176.600 0.094 0.000 1.011 35 K CA 0.691 57.031 56.287 0.087 0.000 0.953 35 K CB 0.770 33.334 32.500 0.106 0.000 0.956 35 K HN 0.287 nan 8.250 nan 0.000 0.477 36 T N -0.896 113.717 114.554 0.097 0.000 2.883 36 T HA 0.700 5.050 4.350 -0.000 0.000 0.296 36 T C -0.855 173.939 174.700 0.158 0.000 1.117 36 T CA -1.045 61.087 62.100 0.054 0.000 1.006 36 T CB 0.775 69.619 68.868 -0.041 0.000 1.191 36 T HN 0.463 nan 8.240 nan 0.000 0.508 37 F N -1.023 118.950 119.950 0.039 0.000 2.588 37 F HA 0.882 5.408 4.527 -0.001 0.000 0.314 37 F C -3.132 172.712 175.800 0.072 0.000 1.069 37 F CA -3.027 55.030 58.000 0.094 0.000 0.931 37 F CB 1.405 40.509 39.000 0.173 0.000 1.260 37 F HN 0.399 nan 8.300 nan 0.000 0.465 38 P HA 0.178 nan 4.420 nan 0.000 0.290 38 P C -0.795 176.635 177.300 0.216 0.000 1.276 38 P CA -0.118 63.047 63.100 0.110 0.000 0.808 38 P CB 1.819 33.584 31.700 0.109 0.000 0.966 39 T N 2.269 116.881 114.554 0.095 0.000 2.829 39 T HA 0.400 4.750 4.350 -0.000 0.000 0.282 39 T C -0.435 174.315 174.700 0.083 0.000 0.990 39 T CA -0.475 61.711 62.100 0.143 0.000 1.028 39 T CB 0.276 69.201 68.868 0.094 0.000 0.951 39 T HN 0.067 nan 8.240 nan 0.000 0.460 40 V N 5.546 125.513 119.914 0.088 0.000 2.612 40 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 40 V C 0.522 176.638 176.094 0.037 0.000 1.046 40 V CA -1.078 61.259 62.300 0.061 0.000 0.946 40 V CB 1.623 33.498 31.823 0.087 0.000 1.003 40 V HN 0.953 nan 8.190 nan 0.000 0.459 41 N N 5.094 123.804 118.700 0.017 0.000 2.415 41 N HA 0.243 4.983 4.740 -0.000 0.000 0.246 41 N C -1.711 173.781 175.510 -0.029 0.000 1.078 41 N CA -1.427 51.622 53.050 -0.001 0.000 0.942 41 N CB 1.292 39.782 38.487 0.004 0.000 1.140 41 N HN 0.422 nan 8.380 nan 0.000 0.501 42 P HA 0.008 nan 4.420 nan 0.000 0.242 42 P C 0.339 177.482 177.300 -0.262 0.000 1.197 42 P CA 0.616 63.687 63.100 -0.048 0.000 0.765 42 P CB 0.456 32.161 31.700 0.007 0.000 0.936 43 S N -0.560 115.052 115.700 -0.147 0.000 2.439 43 S HA -0.022 4.447 4.470 -0.000 0.000 0.224 43 S C 1.756 176.410 174.600 0.091 0.000 1.029 43 S CA 1.655 59.852 58.200 -0.004 0.000 0.946 43 S CB -0.458 62.819 63.200 0.129 0.000 0.797 43 S HN 0.407 nan 8.310 nan 0.000 0.504 44 T N -2.830 111.706 114.554 -0.029 0.000 2.959 44 T HA 0.444 4.793 4.350 -0.000 0.000 0.254 44 T C 1.496 176.106 174.700 -0.150 0.000 1.003 44 T CA 0.770 62.840 62.100 -0.051 0.000 0.950 44 T CB 0.380 69.234 68.868 -0.023 0.000 1.090 44 T HN 0.468 nan 8.240 nan 0.000 0.503 45 G N 1.490 110.157 108.800 -0.222 0.000 2.162 45 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.260 45 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.260 45 G C -0.166 174.678 174.900 -0.094 0.000 0.976 45 G CA 0.139 45.083 45.100 -0.261 0.000 0.655 45 G HN 0.589 nan 8.290 nan 0.000 0.533 46 E N -0.303 119.860 120.200 -0.061 0.000 2.283 46 E HA 0.520 4.870 4.350 -0.000 0.000 0.267 46 E C 0.529 177.125 176.600 -0.007 0.000 1.045 46 E CA -0.739 55.643 56.400 -0.029 0.000 0.884 46 E CB 1.885 31.567 29.700 -0.030 0.000 1.106 46 E HN 0.111 nan 8.360 nan 0.000 0.408 47 V N 3.592 123.506 119.914 -0.000 0.000 2.508 47 V HA 0.020 4.139 4.120 -0.000 0.000 0.281 47 V C 1.657 177.746 176.094 -0.008 0.000 1.041 47 V CA 0.282 62.587 62.300 0.008 0.000 1.016 47 V CB 0.328 32.158 31.823 0.012 0.000 0.984 47 V HN 0.602 nan 8.190 nan 0.000 0.478 48 I N 4.066 124.630 120.570 -0.009 0.000 2.235 48 I HA 0.004 4.174 4.170 -0.000 0.000 0.241 48 I C 1.038 177.127 176.117 -0.046 0.000 1.085 48 I CA 1.361 62.645 61.300 -0.027 0.000 1.378 48 I CB 0.077 38.063 38.000 -0.024 0.000 1.076 48 I HN 0.871 nan 8.210 nan 0.000 0.415 49 C N -2.486 116.782 119.300 -0.053 0.000 3.249 49 C HA 0.466 4.926 4.460 -0.000 0.000 0.350 49 C C -1.118 173.809 174.990 -0.105 0.000 1.431 49 C CA -1.149 57.823 59.018 -0.077 0.000 1.209 49 C CB 1.192 28.874 27.740 -0.096 0.000 1.546 49 C HN 0.116 nan 8.230 nan 0.000 0.450 50 Q N 0.570 120.293 119.800 -0.128 0.000 2.259 50 Q HA 0.780 5.120 4.340 -0.000 0.000 0.249 50 Q C -0.629 175.185 176.000 -0.310 0.000 0.914 50 Q CA -0.278 55.414 55.803 -0.184 0.000 0.904 50 Q CB 1.686 30.354 28.738 -0.117 0.000 1.213 50 Q HN 0.747 nan 8.270 nan 0.000 0.428 51 V N 1.247 120.804 119.914 -0.595 0.000 2.789 51 V HA 0.616 4.736 4.120 -0.000 0.000 0.311 51 V C -0.524 175.226 176.094 -0.573 0.000 1.073 51 V CA -1.331 60.568 62.300 -0.668 0.000 0.921 51 V CB 1.962 33.223 31.823 -0.937 0.000 1.009 51 V HN 0.893 nan 8.190 nan 0.000 0.426 52 A N 2.732 125.431 122.820 -0.202 0.000 2.548 52 A HA 0.204 4.524 4.320 -0.000 0.000 0.247 52 A C 0.338 177.987 177.584 0.108 0.000 1.067 52 A CA 0.316 52.344 52.037 -0.015 0.000 0.757 52 A CB -0.153 18.894 19.000 0.080 0.000 0.996 52 A HN 0.910 nan 8.150 nan 0.000 0.504 53 E N 3.002 123.306 120.200 0.174 0.000 1.993 53 E HA 0.411 4.761 4.350 -0.000 0.000 0.271 53 E C 0.638 177.298 176.600 0.101 0.000 1.008 53 E CA -0.272 56.258 56.400 0.217 0.000 0.814 53 E CB 0.285 30.130 29.700 0.240 0.000 1.098 53 E HN 0.805 nan 8.360 nan 0.000 0.407 54 G N 3.324 112.170 108.800 0.077 0.000 2.527 54 G HA2 0.093 4.053 3.960 -0.000 0.000 0.248 54 G HA3 0.093 4.053 3.960 -0.000 0.000 0.248 54 G C -0.374 174.544 174.900 0.029 0.000 1.231 54 G CA -0.235 44.896 45.100 0.053 0.000 0.838 54 G HN 0.592 nan 8.290 nan 0.000 0.570 55 D N -0.867 119.555 120.400 0.036 0.000 2.904 55 D HA 0.205 4.844 4.640 -0.000 0.000 0.290 55 D C 1.296 177.617 176.300 0.035 0.000 1.180 55 D CA -0.776 53.246 54.000 0.037 0.000 1.065 55 D CB 1.528 42.354 40.800 0.044 0.000 1.386 55 D HN 0.271 nan 8.370 nan 0.000 0.599 56 K N 0.375 120.796 120.400 0.035 0.000 2.044 56 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 56 K C 1.607 178.232 176.600 0.041 0.000 1.049 56 K CA 1.569 57.879 56.287 0.037 0.000 0.927 56 K CB 0.032 32.544 32.500 0.021 0.000 0.713 56 K HN 0.311 nan 8.250 nan 0.000 0.443 57 E N 0.161 120.380 120.200 0.031 0.000 2.110 57 E HA -0.179 4.170 4.350 -0.000 0.000 0.193 57 E C 1.626 178.238 176.600 0.020 0.000 0.988 57 E CA 1.239 57.655 56.400 0.027 0.000 0.804 57 E CB 0.053 29.768 29.700 0.024 0.000 0.745 57 E HN 0.409 nan 8.360 nan 0.000 0.458 58 D N 0.023 120.434 120.400 0.019 0.000 2.149 58 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 58 D C 2.077 178.373 176.300 -0.008 0.000 0.972 58 D CA 0.674 54.674 54.000 0.001 0.000 0.835 58 D CB 0.146 40.957 40.800 0.018 0.000 0.966 58 D HN 0.063 nan 8.370 nan 0.000 0.476 59 V N 1.957 121.883 119.914 0.019 0.000 2.358 59 V HA -0.215 3.904 4.120 -0.000 0.000 0.246 59 V C 1.830 177.939 176.094 0.024 0.000 1.047 59 V CA 1.673 63.987 62.300 0.022 0.000 1.035 59 V CB -0.448 31.411 31.823 0.059 0.000 0.658 59 V HN 0.000 nan 8.190 nan 0.000 0.452 60 D N 0.092 120.546 120.400 0.089 0.000 2.133 60 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 60 D C 2.200 178.520 176.300 0.034 0.000 0.997 60 D CA 1.342 55.434 54.000 0.152 0.000 0.840 60 D CB -0.244 40.636 40.800 0.133 0.000 0.947 60 D HN 0.377 nan 8.370 nan 0.000 0.452 61 K N 0.321 120.711 120.400 -0.017 0.000 2.009 61 K HA -0.071 4.248 4.320 -0.000 0.000 0.210 61 K C 2.121 178.657 176.600 -0.107 0.000 1.049 61 K CA 1.424 57.668 56.287 -0.072 0.000 0.929 61 K CB -0.210 32.217 32.500 -0.122 0.000 0.714 61 K HN 0.077 nan 8.250 nan 0.000 0.440 62 A N 0.542 123.292 122.820 -0.117 0.000 1.902 62 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 62 A C 2.313 179.818 177.584 -0.132 0.000 1.181 62 A CA 1.509 53.468 52.037 -0.130 0.000 0.623 62 A CB -0.656 18.280 19.000 -0.107 0.000 0.818 62 A HN 0.107 nan 8.150 nan 0.000 0.443 63 V N 0.298 120.114 119.914 -0.164 0.000 2.407 63 V HA -0.267 3.852 4.120 -0.000 0.000 0.248 63 V C 2.427 178.433 176.094 -0.148 0.000 1.055 63 V CA 2.268 64.424 62.300 -0.239 0.000 1.049 63 V CB -0.633 30.850 31.823 -0.567 0.000 0.662 63 V HN 0.548 nan 8.190 nan 0.000 0.455 64 K N 0.328 120.672 120.400 -0.093 0.000 2.057 64 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 64 K C 2.328 178.904 176.600 -0.041 0.000 1.049 64 K CA 1.478 57.740 56.287 -0.041 0.000 0.931 64 K CB -0.408 32.081 32.500 -0.019 0.000 0.714 64 K HN 0.472 nan 8.250 nan 0.000 0.440 65 A N 1.731 124.511 122.820 -0.068 0.000 1.902 65 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 65 A C 2.409 179.964 177.584 -0.047 0.000 1.181 65 A CA 1.816 53.813 52.037 -0.066 0.000 0.623 65 A CB -0.640 18.294 19.000 -0.110 0.000 0.818 65 A HN 0.331 nan 8.150 nan 0.000 0.443 66 A N -0.036 122.747 122.820 -0.063 0.000 1.858 66 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 66 A C 2.185 179.787 177.584 0.030 0.000 1.190 66 A CA 2.241 54.252 52.037 -0.044 0.000 0.617 66 A CB -0.511 18.436 19.000 -0.088 0.000 0.827 66 A HN 0.467 nan 8.150 nan 0.000 0.443 67 R N 0.271 120.782 120.500 0.017 0.000 2.096 67 R HA -0.099 4.240 4.340 -0.000 0.000 0.240 67 R C 2.109 178.483 176.300 0.123 0.000 1.139 67 R CA 2.158 58.307 56.100 0.081 0.000 0.952 67 R CB -0.994 29.334 30.300 0.046 0.000 0.854 67 R HN 0.412 nan 8.270 nan 0.000 0.436 68 A N -0.191 122.672 122.820 0.072 0.000 1.972 68 A HA -0.009 4.310 4.320 -0.000 0.000 0.219 68 A C 2.257 179.899 177.584 0.096 0.000 1.169 68 A CA 1.723 53.802 52.037 0.070 0.000 0.635 68 A CB -0.803 18.218 19.000 0.035 0.000 0.810 68 A HN 0.500 nan 8.150 nan 0.000 0.446 69 A N -2.368 120.520 122.820 0.112 0.000 2.123 69 A HA 0.234 4.554 4.320 -0.000 0.000 0.214 69 A C 1.657 179.402 177.584 0.269 0.000 1.152 69 A CA 0.865 52.990 52.037 0.147 0.000 0.728 69 A CB -0.427 18.616 19.000 0.072 0.000 0.814 69 A HN 0.550 nan 8.150 nan 0.000 0.464 70 F N 0.490 120.518 119.950 0.130 0.000 2.765 70 F HA 0.197 4.723 4.527 -0.001 0.000 0.302 70 F C 0.583 176.460 175.800 0.127 0.000 1.111 70 F CA -0.114 57.994 58.000 0.179 0.000 1.359 70 F CB 0.206 39.289 39.000 0.139 0.000 1.097 70 F HN 0.086 nan 8.300 nan 0.000 0.577 71 Q N 1.619 121.481 119.800 0.102 0.000 2.364 71 Q HA 0.061 4.401 4.340 -0.000 0.000 0.267 71 Q C -0.161 175.801 176.000 -0.063 0.000 0.999 71 Q CA -0.270 55.551 55.803 0.031 0.000 0.886 71 Q CB 0.784 29.557 28.738 0.058 0.000 1.243 71 Q HN 0.245 nan 8.270 nan 0.000 0.415 72 L N 1.691 122.867 121.223 -0.078 0.000 2.653 72 L HA -0.003 4.337 4.340 -0.000 0.000 0.288 72 L C 1.346 178.191 176.870 -0.042 0.000 1.243 72 L CA 2.344 57.136 54.840 -0.080 0.000 0.906 72 L CB -0.060 41.972 42.059 -0.045 0.000 1.154 72 L HN 0.962 nan 8.230 nan 0.000 0.498 73 G N 1.766 110.537 108.800 -0.047 0.000 2.268 73 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.240 73 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.240 73 G C 0.411 175.307 174.900 -0.007 0.000 1.010 73 G CA 0.369 45.456 45.100 -0.022 0.000 0.618 73 G HN 1.136 nan 8.290 nan 0.000 0.516 74 S N 1.328 117.030 115.700 0.002 0.000 2.576 74 S HA 0.463 4.933 4.470 -0.000 0.000 0.272 74 S C -0.459 174.178 174.600 0.062 0.000 1.352 74 S CA 0.051 58.279 58.200 0.046 0.000 1.021 74 S CB 1.623 64.873 63.200 0.084 0.000 0.887 74 S HN 0.085 nan 8.310 nan 0.000 0.542 75 P HA -0.120 nan 4.420 nan 0.000 0.216 75 P C 1.362 178.764 177.300 0.170 0.000 1.153 75 P CA 1.321 64.487 63.100 0.109 0.000 0.858 75 P CB -0.181 31.596 31.700 0.129 0.000 0.789 76 W N 0.366 121.687 121.300 0.034 0.000 2.388 76 W HA -0.129 4.531 4.660 -0.001 0.000 0.294 76 W C 1.632 178.161 176.519 0.017 0.000 1.212 76 W CA 0.796 58.177 57.345 0.060 0.000 1.271 76 W CB -0.159 29.364 29.460 0.104 0.000 1.126 76 W HN -0.150 nan 8.180 nan 0.000 0.535 77 R N 0.312 120.777 120.500 -0.058 0.000 2.153 77 R HA -0.020 4.320 4.340 -0.000 0.000 0.218 77 R C 2.126 178.308 176.300 -0.198 0.000 1.072 77 R CA 0.828 56.784 56.100 -0.240 0.000 0.990 77 R CB -0.567 29.589 30.300 -0.241 0.000 0.889 77 R HN 0.300 nan 8.270 nan 0.000 0.452 78 R N -0.158 120.273 120.500 -0.116 0.000 2.173 78 R HA 0.150 4.490 4.340 -0.000 0.000 0.208 78 R C 1.078 177.318 176.300 -0.099 0.000 1.035 78 R CA -0.210 55.836 56.100 -0.090 0.000 1.004 78 R CB -0.052 30.218 30.300 -0.050 0.000 0.917 78 R HN 0.104 nan 8.270 nan 0.000 0.462 79 M N 2.213 121.747 119.600 -0.110 0.000 2.219 79 M HA -0.108 4.372 4.480 -0.000 0.000 0.340 79 M C -0.652 175.583 176.300 -0.108 0.000 1.135 79 M CA 0.820 56.061 55.300 -0.098 0.000 0.976 79 M CB 0.463 33.009 32.600 -0.091 0.000 1.713 79 M HN -0.085 nan 8.290 nan 0.000 0.457 80 D N 3.989 124.356 120.400 -0.054 0.000 2.414 80 D HA 0.137 4.777 4.640 -0.000 0.000 0.242 80 D C 0.810 177.094 176.300 -0.027 0.000 1.129 80 D CA 0.664 54.645 54.000 -0.033 0.000 0.885 80 D CB 1.255 42.050 40.800 -0.008 0.000 1.198 80 D HN 0.796 nan 8.370 nan 0.000 0.437 81 A N 2.465 125.263 122.820 -0.037 0.000 1.948 81 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 81 A C 2.108 179.693 177.584 0.002 0.000 1.177 81 A CA 2.289 54.306 52.037 -0.033 0.000 0.636 81 A CB -0.509 18.491 19.000 -0.000 0.000 0.815 81 A HN 0.600 nan 8.150 nan 0.000 0.449 82 S N -1.334 114.379 115.700 0.022 0.000 2.423 82 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 82 S C 1.820 176.448 174.600 0.045 0.000 1.014 82 S CA 1.447 59.666 58.200 0.032 0.000 0.965 82 S CB -0.671 62.549 63.200 0.033 0.000 0.785 82 S HN 0.758 nan 8.310 nan 0.000 0.495 83 H N 1.790 120.836 119.070 -0.039 0.000 2.428 83 H HA 0.219 4.775 4.556 -0.001 0.000 0.296 83 H C 2.282 177.586 175.328 -0.040 0.000 1.062 83 H CA 1.350 57.374 56.048 -0.041 0.000 1.350 83 H CB -0.089 29.645 29.762 -0.048 0.000 1.403 83 H HN 0.306 nan 8.280 nan 0.000 0.533 84 R N -0.586 119.883 120.500 -0.051 0.000 2.105 84 R HA -0.092 4.248 4.340 -0.000 0.000 0.239 84 R C 2.469 178.770 176.300 0.003 0.000 1.135 84 R CA 1.120 57.201 56.100 -0.032 0.000 0.967 84 R CB -0.515 29.746 30.300 -0.064 0.000 0.861 84 R HN 0.451 nan 8.270 nan 0.000 0.442 85 G N 1.080 109.878 108.800 -0.003 0.000 2.402 85 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 85 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 85 G C 1.428 176.310 174.900 -0.030 0.000 1.162 85 G CA 0.064 45.177 45.100 0.022 0.000 0.777 85 G HN 0.127 nan 8.290 nan 0.000 0.539 86 R N 0.271 120.707 120.500 -0.107 0.000 2.105 86 R HA 0.012 4.352 4.340 -0.000 0.000 0.239 86 R C 2.593 178.771 176.300 -0.203 0.000 1.135 86 R CA 0.683 56.695 56.100 -0.148 0.000 0.967 86 R CB -1.026 29.160 30.300 -0.190 0.000 0.861 86 R HN 0.398 nan 8.270 nan 0.000 0.442 87 L N 0.400 121.419 121.223 -0.340 0.000 2.017 87 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 87 L C 2.537 179.336 176.870 -0.118 0.000 1.073 87 L CA 1.091 55.672 54.840 -0.431 0.000 0.745 87 L CB -0.516 41.039 42.059 -0.841 0.000 0.894 87 L HN 0.113 nan 8.230 nan 0.000 0.432 88 L N -0.351 120.917 121.223 0.075 0.000 2.083 88 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 88 L C 2.389 179.345 176.870 0.143 0.000 1.083 88 L CA 1.039 56.015 54.840 0.226 0.000 0.752 88 L CB -0.554 41.646 42.059 0.235 0.000 0.899 88 L HN 0.366 nan 8.230 nan 0.000 0.433 89 N N -0.119 118.623 118.700 0.070 0.000 2.270 89 N HA -0.170 4.570 4.740 -0.000 0.000 0.181 89 N C 1.955 177.495 175.510 0.049 0.000 1.016 89 N CA 0.814 53.898 53.050 0.058 0.000 0.870 89 N CB -0.033 38.471 38.487 0.028 0.000 0.979 89 N HN 0.195 nan 8.380 nan 0.000 0.431 90 R N 1.486 121.998 120.500 0.020 0.000 2.070 90 R HA -0.048 4.292 4.340 -0.000 0.000 0.233 90 R C 2.096 178.439 176.300 0.072 0.000 1.137 90 R CA 0.984 57.098 56.100 0.024 0.000 0.945 90 R CB -1.076 29.210 30.300 -0.024 0.000 0.845 90 R HN 0.121 nan 8.270 nan 0.000 0.430 91 L N 0.558 121.855 121.223 0.123 0.000 2.043 91 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 91 L C 2.159 179.103 176.870 0.123 0.000 1.075 91 L CA 2.337 57.274 54.840 0.162 0.000 0.752 91 L CB -1.186 41.029 42.059 0.260 0.000 0.891 91 L HN 0.341 nan 8.230 nan 0.000 0.432 92 A N -0.858 122.033 122.820 0.120 0.000 1.877 92 A HA -0.227 4.092 4.320 -0.000 0.000 0.216 92 A C 2.004 179.641 177.584 0.089 0.000 1.186 92 A CA 1.877 53.978 52.037 0.107 0.000 0.620 92 A CB -0.894 18.171 19.000 0.109 0.000 0.822 92 A HN 0.535 nan 8.150 nan 0.000 0.443 93 D N 0.105 120.552 120.400 0.077 0.000 2.123 93 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 93 D C 1.945 178.290 176.300 0.074 0.000 0.992 93 D CA 1.113 55.154 54.000 0.067 0.000 0.833 93 D CB -0.417 40.416 40.800 0.054 0.000 0.954 93 D HN 0.452 nan 8.370 nan 0.000 0.455 94 L N 0.318 121.587 121.223 0.077 0.000 2.046 94 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 94 L C 2.533 179.468 176.870 0.109 0.000 1.077 94 L CA 0.684 55.572 54.840 0.080 0.000 0.747 94 L CB -0.283 41.815 42.059 0.065 0.000 0.896 94 L HN 0.021 nan 8.230 nan 0.000 0.432 95 I N -0.159 120.480 120.570 0.115 0.000 2.226 95 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 95 I C 2.594 178.793 176.117 0.137 0.000 1.100 95 I CA 1.419 62.806 61.300 0.145 0.000 1.374 95 I CB -0.206 37.870 38.000 0.126 0.000 1.057 95 I HN 0.305 nan 8.210 nan 0.000 0.413 96 E N 1.244 121.504 120.200 0.100 0.000 2.085 96 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 96 E C 2.364 179.030 176.600 0.110 0.000 0.994 96 E CA 1.360 57.809 56.400 0.080 0.000 0.801 96 E CB -0.120 29.617 29.700 0.062 0.000 0.743 96 E HN 0.267 nan 8.360 nan 0.000 0.453 97 R N 0.113 120.681 120.500 0.115 0.000 2.120 97 R HA -0.128 4.211 4.340 -0.000 0.000 0.234 97 R C 0.225 176.621 176.300 0.161 0.000 1.123 97 R CA 1.752 57.924 56.100 0.120 0.000 0.975 97 R CB 0.047 30.405 30.300 0.097 0.000 0.866 97 R HN 0.158 nan 8.270 nan 0.000 0.446 98 D N -0.250 120.272 120.400 0.203 0.000 2.643 98 D HA 0.045 4.684 4.640 -0.000 0.000 0.244 98 D C 0.885 177.373 176.300 0.313 0.000 1.257 98 D CA -0.094 54.076 54.000 0.282 0.000 0.831 98 D CB 0.363 41.400 40.800 0.395 0.000 1.043 98 D HN 0.233 nan 8.370 nan 0.000 0.488 99 R N 0.359 121.012 120.500 0.256 0.000 2.092 99 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 99 R C 1.323 177.860 176.300 0.395 0.000 1.119 99 R CA 1.290 57.528 56.100 0.230 0.000 0.970 99 R CB 0.084 30.439 30.300 0.093 0.000 0.864 99 R HN -0.047 nan 8.270 nan 0.000 0.440 100 T N 0.015 114.856 114.554 0.478 0.000 2.821 100 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 100 T C 1.294 176.228 174.700 0.389 0.000 1.046 100 T CA 1.401 63.787 62.100 0.477 0.000 1.139 100 T CB -0.400 68.658 68.868 0.317 0.000 0.871 100 T HN 0.377 nan 8.240 nan 0.000 0.454 101 Y N 1.675 122.095 120.300 0.199 0.000 2.133 101 Y HA 0.040 4.589 4.550 -0.001 0.000 0.287 101 Y C 1.973 177.922 175.900 0.082 0.000 1.134 101 Y CA 0.985 59.147 58.100 0.104 0.000 1.133 101 Y CB -0.556 37.919 38.460 0.026 0.000 0.987 101 Y HN 0.079 nan 8.280 nan 0.000 0.502 102 L N -0.106 121.130 121.223 0.022 0.000 2.083 102 L HA -0.193 4.146 4.340 -0.000 0.000 0.209 102 L C 2.752 179.620 176.870 -0.002 0.000 1.083 102 L CA 1.127 55.927 54.840 -0.066 0.000 0.752 102 L CB -0.867 41.279 42.059 0.144 0.000 0.899 102 L HN 0.373 nan 8.230 nan 0.000 0.433 103 A N -0.128 122.782 122.820 0.149 0.000 1.902 103 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 103 A C 2.501 180.233 177.584 0.247 0.000 1.181 103 A CA 1.690 53.848 52.037 0.201 0.000 0.623 103 A CB -0.628 18.569 19.000 0.328 0.000 0.818 103 A HN 0.397 nan 8.150 nan 0.000 0.443 104 A N -0.784 122.212 122.820 0.294 0.000 1.897 104 A HA 0.059 4.378 4.320 -0.000 0.000 0.215 104 A C 2.083 179.718 177.584 0.086 0.000 1.181 104 A CA 1.565 53.774 52.037 0.286 0.000 0.620 104 A CB -0.539 18.581 19.000 0.201 0.000 0.821 104 A HN 0.555 nan 8.150 nan 0.000 0.443 105 L N -0.018 121.106 121.223 -0.166 0.000 2.083 105 L HA -0.108 4.231 4.340 -0.000 0.000 0.209 105 L C 2.214 179.027 176.870 -0.095 0.000 1.083 105 L CA 2.562 57.264 54.840 -0.230 0.000 0.752 105 L CB -0.613 41.135 42.059 -0.519 0.000 0.899 105 L HN 0.529 nan 8.230 nan 0.000 0.433 106 E N -1.266 118.896 120.200 -0.062 0.000 2.077 106 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 106 E C 1.982 178.550 176.600 -0.054 0.000 0.989 106 E CA 1.905 58.285 56.400 -0.034 0.000 0.800 106 E CB -0.191 29.501 29.700 -0.013 0.000 0.746 106 E HN 0.471 nan 8.360 nan 0.000 0.452 107 T N 0.638 115.148 114.554 -0.074 0.000 2.821 107 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 107 T C 1.716 176.317 174.700 -0.164 0.000 1.046 107 T CA 1.036 63.023 62.100 -0.188 0.000 1.139 107 T CB -0.276 68.351 68.868 -0.402 0.000 0.871 107 T HN 0.103 nan 8.240 nan 0.000 0.454 108 L N 1.096 122.298 121.223 -0.035 0.000 2.017 108 L HA -0.087 4.252 4.340 -0.000 0.000 0.208 108 L C 2.098 178.973 176.870 0.009 0.000 1.073 108 L CA 1.825 56.705 54.840 0.066 0.000 0.745 108 L CB -0.289 41.831 42.059 0.102 0.000 0.894 108 L HN 0.071 nan 8.230 nan 0.000 0.432 109 D N -1.694 118.699 120.400 -0.011 0.000 2.240 109 D HA -0.130 4.509 4.640 -0.000 0.000 0.206 109 D C 1.887 178.178 176.300 -0.014 0.000 0.963 109 D CA 0.668 54.667 54.000 -0.001 0.000 0.863 109 D CB 0.067 40.876 40.800 0.015 0.000 0.973 109 D HN 0.360 nan 8.370 nan 0.000 0.501 110 N N -0.681 117.997 118.700 -0.036 0.000 2.436 110 N HA -0.027 4.712 4.740 -0.000 0.000 0.178 110 N C 1.349 176.802 175.510 -0.095 0.000 1.026 110 N CA 1.627 54.649 53.050 -0.047 0.000 0.880 110 N CB 0.856 39.312 38.487 -0.051 0.000 1.061 110 N HN 0.251 nan 8.380 nan 0.000 0.434 111 G N 1.360 110.088 108.800 -0.120 0.000 2.218 111 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 111 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 111 G C -0.069 174.740 174.900 -0.152 0.000 0.994 111 G CA 0.357 45.368 45.100 -0.148 0.000 0.637 111 G HN 0.672 nan 8.290 nan 0.000 0.505 112 K N 1.133 121.436 120.400 -0.162 0.000 2.355 112 K HA 0.481 4.800 4.320 -0.000 0.000 0.270 112 K C -2.636 173.880 176.600 -0.140 0.000 1.003 112 K CA -1.284 54.904 56.287 -0.165 0.000 0.957 112 K CB 0.597 32.964 32.500 -0.221 0.000 0.939 112 K HN 0.057 nan 8.250 nan 0.000 0.482 113 P HA -0.133 nan 4.420 nan 0.000 0.264 113 P C -0.291 176.977 177.300 -0.053 0.000 1.183 113 P CA 0.047 63.114 63.100 -0.055 0.000 0.763 113 P CB 0.112 31.813 31.700 0.002 0.000 0.807 114 Y N 4.655 124.839 120.300 -0.195 0.000 2.193 114 Y HA -0.244 4.306 4.550 -0.001 0.000 0.285 114 Y C 1.813 177.719 175.900 0.010 0.000 1.166 114 Y CA 1.747 59.762 58.100 -0.140 0.000 1.181 114 Y CB -0.819 37.564 38.460 -0.128 0.000 0.976 114 Y HN 0.092 nan 8.280 nan 0.000 0.520 115 V N 0.153 120.000 119.914 -0.112 0.000 2.407 115 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 115 V C 2.260 178.309 176.094 -0.076 0.000 1.055 115 V CA 1.596 63.810 62.300 -0.143 0.000 1.049 115 V CB -0.595 31.232 31.823 0.005 0.000 0.662 115 V HN 0.407 nan 8.190 nan 0.000 0.455 116 I N -0.431 120.125 120.570 -0.023 0.000 2.233 116 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 116 I C 2.603 178.736 176.117 0.027 0.000 1.093 116 I CA 1.293 62.622 61.300 0.048 0.000 1.380 116 I CB -1.541 36.503 38.000 0.074 0.000 1.067 116 I HN 0.221 nan 8.210 nan 0.000 0.413 117 S N 0.154 115.834 115.700 -0.033 0.000 2.365 117 S HA -0.254 4.216 4.470 -0.000 0.000 0.225 117 S C 2.073 176.673 174.600 0.000 0.000 1.039 117 S CA 1.638 59.828 58.200 -0.015 0.000 1.033 117 S CB -0.499 62.689 63.200 -0.020 0.000 0.887 117 S HN 0.476 nan 8.310 nan 0.000 0.447 118 Y N 1.429 121.603 120.300 -0.210 0.000 2.153 118 Y HA 0.063 4.612 4.550 -0.000 0.000 0.289 118 Y C 1.906 177.757 175.900 -0.082 0.000 1.127 118 Y CA 1.339 59.330 58.100 -0.182 0.000 1.131 118 Y CB -0.220 38.003 38.460 -0.395 0.000 0.995 118 Y HN 0.126 nan 8.280 nan 0.000 0.505 119 L N -1.433 119.823 121.223 0.055 0.000 2.270 119 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 119 L C 1.690 178.572 176.870 0.020 0.000 1.104 119 L CA 0.380 55.240 54.840 0.034 0.000 0.804 119 L CB -0.195 41.919 42.059 0.093 0.000 0.937 119 L HN 0.140 nan 8.230 nan 0.000 0.450 120 V N -0.960 118.988 119.914 0.056 0.000 2.695 120 V HA -0.054 4.065 4.120 -0.000 0.000 0.230 120 V C 1.645 177.785 176.094 0.078 0.000 1.110 120 V CA 0.912 63.274 62.300 0.105 0.000 1.159 120 V CB -0.369 31.593 31.823 0.232 0.000 0.875 120 V HN 0.169 nan 8.190 nan 0.000 0.502 121 D N 0.783 121.240 120.400 0.096 0.000 2.126 121 D HA -0.228 4.411 4.640 -0.000 0.000 0.190 121 D C 1.954 178.264 176.300 0.017 0.000 1.001 121 D CA 1.763 55.805 54.000 0.071 0.000 0.841 121 D CB -0.248 40.599 40.800 0.079 0.000 0.949 121 D HN 0.237 nan 8.370 nan 0.000 0.446 122 L N -0.089 121.125 121.223 -0.015 0.000 2.291 122 L HA -0.076 4.264 4.340 -0.000 0.000 0.214 122 L C 1.778 178.619 176.870 -0.048 0.000 1.120 122 L CA 0.792 55.610 54.840 -0.037 0.000 0.799 122 L CB -0.108 41.897 42.059 -0.090 0.000 0.925 122 L HN -0.008 nan 8.230 nan 0.000 0.446 123 D N -0.059 120.306 120.400 -0.058 0.000 2.084 123 D HA -0.234 4.406 4.640 -0.000 0.000 0.194 123 D C 2.274 178.590 176.300 0.028 0.000 0.990 123 D CA 1.610 55.594 54.000 -0.027 0.000 0.826 123 D CB 0.063 40.853 40.800 -0.016 0.000 0.971 123 D HN 0.167 nan 8.370 nan 0.000 0.453 124 M N -0.578 119.047 119.600 0.041 0.000 2.229 124 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 124 M C 2.156 178.516 176.300 0.100 0.000 1.063 124 M CA 0.509 55.853 55.300 0.074 0.000 1.114 124 M CB 0.084 32.706 32.600 0.037 0.000 1.387 124 M HN 0.001 nan 8.290 nan 0.000 0.420 125 V N 0.907 120.858 119.914 0.062 0.000 2.270 125 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 125 V C 2.283 178.453 176.094 0.125 0.000 1.043 125 V CA 1.664 64.018 62.300 0.090 0.000 1.014 125 V CB -0.519 31.340 31.823 0.060 0.000 0.645 125 V HN 0.447 nan 8.190 nan 0.000 0.447 126 L N -0.533 120.744 121.223 0.090 0.000 2.046 126 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 126 L C 2.609 179.553 176.870 0.123 0.000 1.077 126 L CA 1.729 56.626 54.840 0.095 0.000 0.747 126 L CB -0.642 41.451 42.059 0.056 0.000 0.896 126 L HN 0.306 nan 8.230 nan 0.000 0.432 127 K N -0.815 119.657 120.400 0.120 0.000 2.057 127 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 127 K C 2.284 179.003 176.600 0.198 0.000 1.050 127 K CA 1.571 57.939 56.287 0.135 0.000 0.935 127 K CB -0.486 32.077 32.500 0.105 0.000 0.715 127 K HN 0.400 nan 8.250 nan 0.000 0.439 128 C N 1.308 120.755 119.300 0.245 0.000 2.446 128 C HA -0.024 4.436 4.460 -0.000 0.000 0.277 128 C C 2.464 177.712 174.990 0.431 0.000 1.275 128 C CA 0.461 59.695 59.018 0.360 0.000 1.727 128 C CB -0.888 27.140 27.740 0.479 0.000 2.010 128 C HN 0.381 nan 8.230 nan 0.000 0.486 129 L N 0.095 121.512 121.223 0.323 0.000 2.109 129 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 129 L C 3.018 180.044 176.870 0.261 0.000 1.086 129 L CA 1.369 56.388 54.840 0.298 0.000 0.760 129 L CB -0.619 41.568 42.059 0.213 0.000 0.910 129 L HN 0.321 nan 8.230 nan 0.000 0.437 130 R N -1.311 119.314 120.500 0.209 0.000 2.115 130 R HA -0.192 4.148 4.340 -0.000 0.000 0.230 130 R C 2.215 178.605 176.300 0.150 0.000 1.111 130 R CA 1.300 57.492 56.100 0.153 0.000 0.976 130 R CB -0.372 30.000 30.300 0.120 0.000 0.870 130 R HN 0.261 nan 8.270 nan 0.000 0.445 131 Y N 0.169 120.505 120.300 0.061 0.000 2.114 131 Y HA -0.262 4.288 4.550 -0.001 0.000 0.284 131 Y C 1.581 177.471 175.900 -0.017 0.000 1.143 131 Y CA 1.505 59.584 58.100 -0.035 0.000 1.135 131 Y CB -0.411 37.981 38.460 -0.113 0.000 0.980 131 Y HN -0.003 nan 8.280 nan 0.000 0.499 132 Y N -0.329 120.059 120.300 0.146 0.000 2.509 132 Y HA -0.035 4.515 4.550 -0.000 0.000 0.293 132 Y C 2.503 178.449 175.900 0.077 0.000 1.133 132 Y CA 0.461 58.626 58.100 0.107 0.000 1.283 132 Y CB -0.406 38.168 38.460 0.191 0.000 1.001 132 Y HN 0.280 nan 8.280 nan 0.000 0.555 133 A N 0.080 123.011 122.820 0.185 0.000 1.940 133 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 133 A C 2.496 180.105 177.584 0.042 0.000 1.176 133 A CA 1.825 53.933 52.037 0.119 0.000 0.631 133 A CB -1.313 17.741 19.000 0.090 0.000 0.814 133 A HN 0.464 nan 8.150 nan 0.000 0.446 134 G N -2.525 106.235 108.800 -0.067 0.000 2.448 134 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 134 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 134 G C 1.364 176.166 174.900 -0.164 0.000 1.135 134 G CA 0.589 45.589 45.100 -0.167 0.000 0.784 134 G HN 0.672 nan 8.290 nan 0.000 0.543 135 W N 0.810 122.013 121.300 -0.162 0.000 2.584 135 W HA 0.215 4.875 4.660 -0.000 0.000 0.264 135 W C 2.786 179.289 176.519 -0.026 0.000 1.264 135 W CA 0.330 57.605 57.345 -0.117 0.000 1.306 135 W CB 0.310 29.694 29.460 -0.126 0.000 1.110 135 W HN 0.267 nan 8.180 nan 0.000 0.606 136 A N 1.191 124.163 122.820 0.253 0.000 1.915 136 A HA -0.314 4.005 4.320 -0.000 0.000 0.220 136 A C 1.242 178.906 177.584 0.134 0.000 1.198 136 A CA 2.528 54.665 52.037 0.167 0.000 0.647 136 A CB -0.928 18.137 19.000 0.108 0.000 0.825 136 A HN 0.392 nan 8.150 nan 0.000 0.456 137 D N -2.487 117.975 120.400 0.103 0.000 2.593 137 D HA 0.247 4.886 4.640 -0.000 0.000 0.241 137 D C 0.450 176.778 176.300 0.047 0.000 1.257 137 D CA -0.044 53.998 54.000 0.070 0.000 0.828 137 D CB 0.080 40.905 40.800 0.040 0.000 1.049 137 D HN 0.479 nan 8.370 nan 0.000 0.490 138 K N -0.616 119.845 120.400 0.102 0.000 2.520 138 K HA 0.069 4.389 4.320 -0.000 0.000 0.206 138 K C -0.566 176.027 176.600 -0.010 0.000 1.122 138 K CA -0.527 55.720 56.287 -0.066 0.000 1.045 138 K CB 0.764 33.214 32.500 -0.084 0.000 0.932 138 K HN -0.015 nan 8.250 nan 0.000 0.571 139 Y N 2.840 123.157 120.300 0.028 0.000 2.632 139 Y HA 0.137 4.687 4.550 -0.001 0.000 0.336 139 Y C -0.370 175.510 175.900 -0.033 0.000 1.237 139 Y CA -1.093 57.008 58.100 0.001 0.000 1.595 139 Y CB -0.739 37.722 38.460 0.002 0.000 1.508 139 Y HN 0.089 nan 8.280 nan 0.000 0.480 140 H N 1.363 120.395 119.070 -0.063 0.000 2.690 140 H HA 0.411 4.967 4.556 -0.001 0.000 0.365 140 H C 0.910 175.840 175.328 -0.662 0.000 1.142 140 H CA 0.192 56.108 56.048 -0.220 0.000 1.417 140 H CB 0.846 30.538 29.762 -0.117 0.000 1.446 140 H HN 0.738 nan 8.280 nan 0.000 0.599 141 G N 0.739 109.202 108.800 -0.561 0.000 2.510 141 G HA2 0.417 4.377 3.960 -0.000 0.000 0.280 141 G HA3 0.417 4.377 3.960 -0.000 0.000 0.280 141 G C -0.735 173.984 174.900 -0.301 0.000 1.386 141 G CA -0.878 43.733 45.100 -0.815 0.000 1.047 141 G HN 0.591 nan 8.290 nan 0.000 0.527 142 K N -0.915 119.398 120.400 -0.146 0.000 2.400 142 K HA 0.574 4.893 4.320 -0.000 0.000 0.246 142 K C -0.988 175.632 176.600 0.032 0.000 0.995 142 K CA -0.755 55.506 56.287 -0.043 0.000 0.840 142 K CB 1.950 34.439 32.500 -0.017 0.000 1.293 142 K HN 0.576 nan 8.250 nan 0.000 0.445 143 T N -1.079 113.508 114.554 0.055 0.000 2.794 143 T HA 0.626 4.976 4.350 -0.000 0.000 0.280 143 T C -0.089 174.667 174.700 0.093 0.000 0.987 143 T CA -0.776 61.399 62.100 0.124 0.000 0.993 143 T CB 0.090 69.075 68.868 0.195 0.000 0.939 143 T HN 0.433 nan 8.240 nan 0.000 0.449 144 I N 4.528 125.149 120.570 0.086 0.000 2.418 144 I HA 0.349 4.518 4.170 -0.000 0.000 0.287 144 I C -2.048 174.118 176.117 0.082 0.000 1.008 144 I CA -2.803 58.532 61.300 0.057 0.000 1.104 144 I CB 2.509 40.519 38.000 0.016 0.000 1.264 144 I HN 0.453 nan 8.210 nan 0.000 0.438 145 P HA 0.132 nan 4.420 nan 0.000 0.232 145 P C 0.213 177.556 177.300 0.072 0.000 1.738 145 P CA 0.137 63.286 63.100 0.082 0.000 0.948 145 P CB 0.015 31.751 31.700 0.061 0.000 1.943 146 I N 0.807 121.422 120.570 0.074 0.000 2.993 146 I HA -0.022 4.148 4.170 -0.000 0.000 0.286 146 I C 0.488 176.664 176.117 0.098 0.000 1.215 146 I CA 0.101 61.437 61.300 0.059 0.000 1.393 146 I CB 0.595 38.611 38.000 0.025 0.000 1.371 146 I HN 0.020 nan 8.210 nan 0.000 0.602 147 D N 3.834 124.284 120.400 0.082 0.000 2.378 147 D HA 0.419 5.059 4.640 -0.000 0.000 0.238 147 D C 0.330 176.775 176.300 0.241 0.000 1.180 147 D CA 1.284 55.353 54.000 0.115 0.000 0.895 147 D CB 0.570 41.415 40.800 0.075 0.000 1.192 147 D HN 0.918 nan 8.370 nan 0.000 0.438 148 G N 1.029 109.970 108.800 0.235 0.000 2.796 148 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.571 148 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.571 148 G C -0.700 174.276 174.900 0.127 0.000 1.370 148 G CA -0.690 44.590 45.100 0.301 0.000 0.856 148 G HN 0.490 nan 8.290 nan 0.000 0.538 149 D N 0.924 121.164 120.400 -0.266 0.000 2.688 149 D HA 0.506 5.145 4.640 -0.000 0.000 0.228 149 D C -0.094 175.749 176.300 -0.762 0.000 1.116 149 D CA 0.824 54.578 54.000 -0.409 0.000 1.023 149 D CB -0.606 39.968 40.800 -0.377 0.000 1.100 149 D HN 0.325 nan 8.370 nan 0.000 0.487 150 F N 0.427 120.419 119.950 0.070 0.000 2.599 150 F HA 0.384 4.911 4.527 -0.000 0.000 0.311 150 F C -0.349 175.557 175.800 0.177 0.000 1.076 150 F CA -1.475 56.583 58.000 0.095 0.000 0.937 150 F CB 1.431 40.459 39.000 0.046 0.000 1.282 150 F HN -0.149 nan 8.300 nan 0.000 0.460 151 F N 2.201 122.281 119.950 0.217 0.000 2.388 151 F HA 0.653 5.180 4.527 -0.000 0.000 0.358 151 F C -0.427 175.478 175.800 0.175 0.000 1.122 151 F CA -0.927 57.175 58.000 0.170 0.000 1.056 151 F CB 1.069 40.158 39.000 0.149 0.000 1.155 151 F HN 0.280 nan 8.300 nan 0.000 0.461 152 S N 6.949 122.574 115.700 -0.125 0.000 2.519 152 S HA 0.750 5.220 4.470 -0.000 0.000 0.309 152 S C -1.361 173.069 174.600 -0.283 0.000 1.100 152 S CA -0.311 57.724 58.200 -0.274 0.000 1.059 152 S CB 0.434 63.576 63.200 -0.097 0.000 1.008 152 S HN 0.685 nan 8.310 nan 0.000 0.478 153 Y N 0.392 120.439 120.300 -0.422 0.000 2.655 153 Y HA 0.814 5.364 4.550 -0.000 0.000 0.336 153 Y C -0.549 175.248 175.900 -0.171 0.000 1.154 153 Y CA -1.067 56.866 58.100 -0.279 0.000 1.055 153 Y CB 0.909 39.173 38.460 -0.327 0.000 1.295 153 Y HN 0.515 nan 8.280 nan 0.000 0.465 154 T N -0.484 114.114 114.554 0.072 0.000 2.893 154 T HA 0.695 5.045 4.350 -0.000 0.000 0.291 154 T C -0.951 173.824 174.700 0.125 0.000 1.028 154 T CA -1.103 61.018 62.100 0.035 0.000 0.995 154 T CB 1.894 70.787 68.868 0.042 0.000 1.051 154 T HN 0.817 nan 8.240 nan 0.000 0.470 155 R N 0.937 121.519 120.500 0.137 0.000 2.393 155 R HA 0.333 4.673 4.340 -0.000 0.000 0.310 155 R C -0.277 176.169 176.300 0.243 0.000 0.968 155 R CA -0.697 55.495 56.100 0.153 0.000 0.867 155 R CB 0.968 31.360 30.300 0.153 0.000 1.124 155 R HN 0.748 nan 8.270 nan 0.000 0.450 156 H N 2.361 121.473 119.070 0.069 0.000 2.652 156 H HA 0.098 4.653 4.556 -0.001 0.000 0.233 156 H C -0.394 175.011 175.328 0.129 0.000 1.762 156 H CA -0.393 55.710 56.048 0.092 0.000 1.285 156 H CB 0.499 30.304 29.762 0.072 0.000 1.668 156 H HN 0.424 nan 8.280 nan 0.000 0.550 157 E N 2.380 122.711 120.200 0.219 0.000 2.349 157 E HA 0.162 4.512 4.350 -0.000 0.000 0.262 157 E C -2.369 174.361 176.600 0.216 0.000 1.088 157 E CA -2.149 54.365 56.400 0.191 0.000 0.899 157 E CB 0.563 30.360 29.700 0.161 0.000 1.044 157 E HN 0.331 nan 8.360 nan 0.000 0.420 158 P HA -0.095 nan 4.420 nan 0.000 0.272 158 P C 0.549 177.995 177.300 0.244 0.000 1.223 158 P CA -0.090 63.201 63.100 0.318 0.000 0.784 158 P CB 0.658 32.688 31.700 0.551 0.000 0.923 159 V N 1.349 121.329 119.914 0.111 0.000 2.667 159 V HA 0.090 4.210 4.120 -0.000 0.000 0.252 159 V C 1.035 177.036 176.094 -0.155 0.000 1.065 159 V CA 2.602 64.910 62.300 0.013 0.000 1.083 159 V CB -1.226 30.597 31.823 -0.000 0.000 0.692 159 V HN 0.935 nan 8.190 nan 0.000 0.468 160 G N -0.576 107.935 108.800 -0.481 0.000 2.637 160 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.211 160 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.211 160 G C -0.350 174.074 174.900 -0.794 0.000 1.213 160 G CA -0.221 44.086 45.100 -1.323 0.000 1.207 160 G HN 0.763 nan 8.290 nan 0.000 0.559 161 V N 1.337 120.968 119.914 -0.471 0.000 2.405 161 V HA 0.420 4.539 4.120 -0.000 0.000 0.264 161 V C 0.448 176.459 176.094 -0.139 0.000 1.048 161 V CA -0.138 62.013 62.300 -0.249 0.000 0.966 161 V CB 0.339 32.056 31.823 -0.177 0.000 1.015 161 V HN 0.806 nan 8.190 nan 0.000 0.477 162 C N 4.918 124.168 119.300 -0.085 0.000 2.281 162 C HA 0.680 5.140 4.460 -0.000 0.000 0.325 162 C C 1.079 176.071 174.990 0.004 0.000 1.282 162 C CA -0.930 58.094 59.018 0.011 0.000 1.640 162 C CB 0.346 28.160 27.740 0.125 0.000 2.288 162 C HN 0.999 nan 8.230 nan 0.000 0.507 163 G N 2.928 111.739 108.800 0.018 0.000 2.353 163 G HA2 0.510 4.470 3.960 -0.000 0.000 0.284 163 G HA3 0.510 4.470 3.960 -0.000 0.000 0.284 163 G C -0.799 174.144 174.900 0.071 0.000 1.172 163 G CA -0.109 45.007 45.100 0.026 0.000 0.854 163 G HN 0.814 nan 8.290 nan 0.000 0.485 164 Q N 1.561 121.401 119.800 0.068 0.000 2.303 164 Q HA 0.361 4.700 4.340 -0.000 0.000 0.267 164 Q C -0.776 175.288 176.000 0.106 0.000 1.011 164 Q CA -0.365 55.497 55.803 0.098 0.000 0.740 164 Q CB 2.515 31.299 28.738 0.077 0.000 1.250 164 Q HN 0.536 nan 8.270 nan 0.000 0.458 165 I N 4.989 125.654 120.570 0.158 0.000 2.328 165 I HA 0.421 4.590 4.170 -0.000 0.000 0.287 165 I C -0.077 176.158 176.117 0.196 0.000 1.012 165 I CA -0.734 60.684 61.300 0.196 0.000 1.195 165 I CB 0.594 38.753 38.000 0.266 0.000 1.350 165 I HN 0.526 nan 8.210 nan 0.000 0.464 166 I N 5.628 126.283 120.570 0.140 0.000 2.693 166 I HA 0.750 4.919 4.170 -0.000 0.000 0.303 166 I C -2.595 173.574 176.117 0.085 0.000 1.025 166 I CA -2.194 59.161 61.300 0.092 0.000 1.086 166 I CB 1.992 40.039 38.000 0.079 0.000 1.268 166 I HN 0.206 nan 8.210 nan 0.000 0.440 167 P HA 0.181 nan 4.420 nan 0.000 0.302 167 P C -0.207 177.078 177.300 -0.025 0.000 1.307 167 P CA -0.151 62.890 63.100 -0.098 0.000 0.754 167 P CB 0.500 32.020 31.700 -0.300 0.000 1.298 168 W N -0.106 121.242 121.300 0.080 0.000 3.058 168 W HA 0.082 4.742 4.660 -0.001 0.000 0.306 168 W C 0.839 177.340 176.519 -0.029 0.000 1.188 168 W CA 0.232 57.600 57.345 0.038 0.000 1.651 168 W CB -1.514 27.970 29.460 0.041 0.000 1.051 168 W HN 0.206 nan 8.180 nan 0.000 0.592 169 N N 1.918 120.495 118.700 -0.205 0.000 2.270 169 N HA -0.144 4.596 4.740 -0.000 0.000 0.181 169 N C -0.049 175.126 175.510 -0.558 0.000 1.016 169 N CA 0.746 53.639 53.050 -0.262 0.000 0.870 169 N CB -1.121 37.087 38.487 -0.464 0.000 0.979 169 N HN 0.075 nan 8.380 nan 0.000 0.431 170 F N -0.374 119.494 119.950 -0.137 0.000 2.584 170 F HA 0.446 4.973 4.527 -0.001 0.000 0.328 170 F C -1.794 173.926 175.800 -0.133 0.000 1.407 170 F CA -2.111 55.785 58.000 -0.175 0.000 1.145 170 F CB 2.080 40.894 39.000 -0.311 0.000 1.440 170 F HN -0.165 nan 8.300 nan 0.000 0.580 171 P HA -0.200 nan 4.420 nan 0.000 0.213 171 P C 1.954 179.282 177.300 0.048 0.000 1.170 171 P CA 1.642 64.781 63.100 0.065 0.000 0.902 171 P CB 0.442 32.186 31.700 0.073 0.000 0.789 172 L N -1.887 119.360 121.223 0.040 0.000 2.027 172 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 172 L C 2.428 179.291 176.870 -0.012 0.000 1.074 172 L CA 0.948 55.809 54.840 0.034 0.000 0.745 172 L CB -0.932 41.154 42.059 0.045 0.000 0.898 172 L HN -0.043 nan 8.230 nan 0.000 0.433 173 L N -0.919 120.260 121.223 -0.073 0.000 2.191 173 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 173 L C 2.386 179.017 176.870 -0.399 0.000 1.103 173 L CA 1.603 56.275 54.840 -0.280 0.000 0.769 173 L CB -0.288 41.501 42.059 -0.451 0.000 0.908 173 L HN 0.194 nan 8.230 nan 0.000 0.438 174 M N -1.271 118.206 119.600 -0.205 0.000 2.123 174 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 174 M C 2.244 178.572 176.300 0.047 0.000 1.069 174 M CA 1.553 56.803 55.300 -0.084 0.000 1.133 174 M CB -1.036 31.554 32.600 -0.016 0.000 1.356 174 M HN 0.447 nan 8.290 nan 0.000 0.415 175 Q N 0.182 120.002 119.800 0.033 0.000 2.096 175 Q HA -0.164 4.175 4.340 -0.000 0.000 0.204 175 Q C 1.941 177.977 176.000 0.060 0.000 0.982 175 Q CA 2.263 58.093 55.803 0.044 0.000 0.850 175 Q CB -0.051 28.706 28.738 0.033 0.000 0.901 175 Q HN 0.461 nan 8.270 nan 0.000 0.422 176 A N -0.040 122.829 122.820 0.081 0.000 1.873 176 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 176 A C 1.586 179.331 177.584 0.268 0.000 1.186 176 A CA 1.211 53.336 52.037 0.146 0.000 0.616 176 A CB -1.210 17.884 19.000 0.157 0.000 0.823 176 A HN 0.667 nan 8.150 nan 0.000 0.442 177 W N 0.576 121.901 121.300 0.041 0.000 2.364 177 W HA -0.080 4.579 4.660 -0.001 0.000 0.281 177 W C 2.037 178.547 176.519 -0.016 0.000 1.219 177 W CA 1.421 58.798 57.345 0.053 0.000 1.220 177 W CB -0.126 29.367 29.460 0.056 0.000 1.127 177 W HN 0.257 nan 8.180 nan 0.000 0.556 178 K N -0.576 119.930 120.400 0.177 0.000 2.099 178 K HA 0.087 4.407 4.320 -0.000 0.000 0.203 178 K C 2.074 178.583 176.600 -0.152 0.000 1.047 178 K CA 0.691 56.995 56.287 0.028 0.000 0.963 178 K CB -0.933 31.598 32.500 0.052 0.000 0.759 178 K HN 0.207 nan 8.250 nan 0.000 0.451 179 L N 0.383 121.544 121.223 -0.104 0.000 2.072 179 L HA -0.056 4.283 4.340 -0.000 0.000 0.205 179 L C 2.474 179.235 176.870 -0.182 0.000 1.079 179 L CA 1.271 56.011 54.840 -0.165 0.000 0.752 179 L CB -1.076 40.907 42.059 -0.128 0.000 0.906 179 L HN 0.255 nan 8.230 nan 0.000 0.436 180 G N 1.444 110.161 108.800 -0.138 0.000 2.586 180 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 180 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 180 G C -0.603 173.974 174.900 -0.539 0.000 1.216 180 G CA 1.181 46.172 45.100 -0.181 0.000 0.786 180 G HN 0.322 nan 8.290 nan 0.000 0.583 181 P HA 0.082 nan 4.420 nan 0.000 0.218 181 P C 2.048 179.047 177.300 -0.501 0.000 1.152 181 P CA 1.849 64.451 63.100 -0.830 0.000 0.826 181 P CB -0.134 31.137 31.700 -0.716 0.000 0.790 182 A N 0.527 122.905 122.820 -0.737 0.000 1.877 182 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 182 A C 2.407 179.856 177.584 -0.224 0.000 1.186 182 A CA 1.478 53.028 52.037 -0.812 0.000 0.620 182 A CB -1.615 16.797 19.000 -0.980 0.000 0.822 182 A HN 0.112 nan 8.150 nan 0.000 0.443 183 L N -1.084 120.080 121.223 -0.099 0.000 2.109 183 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 183 L C 2.971 180.027 176.870 0.309 0.000 1.086 183 L CA 0.856 55.830 54.840 0.223 0.000 0.760 183 L CB -0.524 41.649 42.059 0.190 0.000 0.910 183 L HN 0.430 nan 8.230 nan 0.000 0.437 184 A N 0.049 122.953 122.820 0.139 0.000 2.067 184 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 184 A C 2.125 179.774 177.584 0.109 0.000 1.158 184 A CA 1.863 53.992 52.037 0.154 0.000 0.661 184 A CB -0.657 18.453 19.000 0.184 0.000 0.801 184 A HN 0.505 nan 8.150 nan 0.000 0.452 185 T N -4.941 109.660 114.554 0.078 0.000 3.069 185 T HA 0.438 4.788 4.350 -0.000 0.000 0.252 185 T C 1.201 175.988 174.700 0.145 0.000 1.053 185 T CA 0.910 63.064 62.100 0.090 0.000 0.964 185 T CB 0.323 69.223 68.868 0.054 0.000 1.005 185 T HN 1.568 nan 8.240 nan 0.000 0.532 186 G N 1.614 110.536 108.800 0.204 0.000 2.131 186 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.223 186 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.223 186 G C -0.086 175.205 174.900 0.652 0.000 0.990 186 G CA -0.384 44.847 45.100 0.217 0.000 0.671 186 G HN 0.559 nan 8.290 nan 0.000 0.521 187 N N -0.462 118.555 118.700 0.529 0.000 2.379 187 N HA 0.585 5.324 4.740 -0.000 0.000 0.260 187 N C 0.568 176.302 175.510 0.373 0.000 1.254 187 N CA 0.475 53.762 53.050 0.394 0.000 0.958 187 N CB 1.864 40.416 38.487 0.109 0.000 1.208 187 N HN 0.706 nan 8.380 nan 0.000 0.532 188 V N -2.043 117.931 119.914 0.101 0.000 2.769 188 V HA 0.717 4.837 4.120 -0.000 0.000 0.312 188 V C -0.124 175.902 176.094 -0.112 0.000 1.058 188 V CA -0.702 61.572 62.300 -0.043 0.000 0.952 188 V CB 1.689 33.513 31.823 0.001 0.000 1.019 188 V HN 0.241 nan 8.190 nan 0.000 0.445 189 V N 2.797 122.621 119.914 -0.149 0.000 2.656 189 V HA 0.536 4.656 4.120 -0.000 0.000 0.307 189 V C -0.495 175.535 176.094 -0.106 0.000 1.051 189 V CA -0.490 61.734 62.300 -0.125 0.000 0.893 189 V CB 2.137 33.868 31.823 -0.154 0.000 0.999 189 V HN 0.798 nan 8.190 nan 0.000 0.426 190 V N 5.891 125.758 119.914 -0.079 0.000 2.304 190 V HA 0.460 4.580 4.120 -0.000 0.000 0.278 190 V C -0.124 175.954 176.094 -0.026 0.000 1.018 190 V CA -0.214 62.049 62.300 -0.061 0.000 0.814 190 V CB 1.304 33.079 31.823 -0.080 0.000 1.021 190 V HN 0.862 nan 8.190 nan 0.000 0.440 191 M N 5.061 124.652 119.600 -0.014 0.000 2.294 191 M HA 0.563 5.042 4.480 -0.000 0.000 0.335 191 M C -0.750 175.572 176.300 0.038 0.000 1.079 191 M CA -0.666 54.642 55.300 0.014 0.000 0.982 191 M CB 1.492 34.093 32.600 0.001 0.000 1.651 191 M HN 0.355 nan 8.290 nan 0.000 0.437 192 K N 4.939 125.374 120.400 0.058 0.000 2.240 192 K HA 0.439 4.759 4.320 -0.000 0.000 0.271 192 K C -1.068 175.589 176.600 0.096 0.000 1.018 192 K CA -0.297 56.034 56.287 0.072 0.000 0.874 192 K CB 0.923 33.464 32.500 0.067 0.000 1.098 192 K HN 0.672 nan 8.250 nan 0.000 0.458 193 V N 0.687 120.665 119.914 0.106 0.000 2.973 193 V HA 0.706 4.826 4.120 -0.000 0.000 0.314 193 V C 0.323 176.507 176.094 0.149 0.000 1.066 193 V CA -1.205 61.172 62.300 0.128 0.000 1.021 193 V CB 1.232 33.137 31.823 0.136 0.000 1.076 193 V HN 0.723 nan 8.190 nan 0.000 0.462 194 A N 2.093 125.024 122.820 0.185 0.000 2.440 194 A HA 0.337 4.657 4.320 -0.000 0.000 0.251 194 A C 1.244 178.956 177.584 0.213 0.000 1.089 194 A CA 0.235 52.413 52.037 0.234 0.000 0.779 194 A CB 0.030 19.243 19.000 0.354 0.000 1.022 194 A HN 1.139 nan 8.150 nan 0.000 0.492 195 E N 1.708 122.010 120.200 0.170 0.000 2.209 195 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 195 E C 1.028 177.769 176.600 0.235 0.000 0.993 195 E CA 1.778 58.250 56.400 0.120 0.000 0.819 195 E CB -0.201 29.562 29.700 0.106 0.000 0.745 195 E HN 0.832 nan 8.360 nan 0.000 0.477 196 Q N 0.588 120.490 119.800 0.169 0.000 2.331 196 Q HA 0.007 4.347 4.340 -0.000 0.000 0.203 196 Q C 0.648 176.722 176.000 0.124 0.000 0.944 196 Q CA 1.590 57.444 55.803 0.084 0.000 0.892 196 Q CB 0.671 29.333 28.738 -0.127 0.000 0.983 196 Q HN 0.449 nan 8.270 nan 0.000 0.482 197 T N -3.569 111.096 114.554 0.185 0.000 3.839 197 T HA 0.284 4.634 4.350 -0.000 0.000 0.230 197 T C -2.501 172.296 174.700 0.163 0.000 1.095 197 T CA -1.217 60.980 62.100 0.160 0.000 1.470 197 T CB 0.985 69.961 68.868 0.180 0.000 0.881 197 T HN -0.057 nan 8.240 nan 0.000 0.637 198 P HA 0.255 nan 4.420 nan 0.000 0.238 198 P C 1.653 179.041 177.300 0.146 0.000 1.183 198 P CA -0.150 63.056 63.100 0.178 0.000 0.813 198 P CB 0.390 32.231 31.700 0.234 0.000 0.944 199 L N 0.496 121.785 121.223 0.109 0.000 1.994 199 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 199 L C 2.712 179.666 176.870 0.141 0.000 1.071 199 L CA 2.759 57.655 54.840 0.093 0.000 0.745 199 L CB -1.909 40.170 42.059 0.032 0.000 0.892 199 L HN 0.113 nan 8.230 nan 0.000 0.431 200 T N -2.172 112.449 114.554 0.111 0.000 2.759 200 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 200 T C 1.894 176.721 174.700 0.211 0.000 1.042 200 T CA 1.055 63.243 62.100 0.146 0.000 1.140 200 T CB -0.412 68.506 68.868 0.084 0.000 0.864 200 T HN 0.345 nan 8.240 nan 0.000 0.455 201 A N 1.605 124.524 122.820 0.165 0.000 1.929 201 A HA 0.246 4.566 4.320 -0.000 0.000 0.216 201 A C 2.443 180.124 177.584 0.161 0.000 1.176 201 A CA 0.963 53.082 52.037 0.136 0.000 0.628 201 A CB -0.791 18.274 19.000 0.108 0.000 0.816 201 A HN 0.528 nan 8.150 nan 0.000 0.444 202 L N -2.094 119.278 121.223 0.248 0.000 2.083 202 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 202 L C 2.575 179.712 176.870 0.445 0.000 1.083 202 L CA 1.706 56.804 54.840 0.429 0.000 0.752 202 L CB -0.678 41.636 42.059 0.424 0.000 0.899 202 L HN 0.566 nan 8.230 nan 0.000 0.433 203 Y N 0.328 120.769 120.300 0.234 0.000 2.224 203 Y HA -0.200 4.350 4.550 -0.000 0.000 0.289 203 Y C 2.374 178.373 175.900 0.164 0.000 1.146 203 Y CA 1.301 59.549 58.100 0.247 0.000 1.182 203 Y CB -0.132 38.522 38.460 0.323 0.000 0.983 203 Y HN -0.161 nan 8.280 nan 0.000 0.524 204 V N 0.002 119.991 119.914 0.126 0.000 2.427 204 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 204 V C 2.626 178.596 176.094 -0.208 0.000 1.051 204 V CA 1.459 63.746 62.300 -0.023 0.000 1.048 204 V CB -1.438 30.400 31.823 0.027 0.000 0.666 204 V HN 0.537 nan 8.190 nan 0.000 0.456 205 A N 0.392 123.018 122.820 -0.324 0.000 1.948 205 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 205 A C 2.069 179.123 177.584 -0.883 0.000 1.177 205 A CA 2.445 53.940 52.037 -0.904 0.000 0.636 205 A CB -0.771 17.324 19.000 -1.509 0.000 0.815 205 A HN 0.574 nan 8.150 nan 0.000 0.449 206 N N -0.075 118.404 118.700 -0.369 0.000 2.142 206 N HA -0.056 4.684 4.740 -0.000 0.000 0.186 206 N C 1.574 176.992 175.510 -0.153 0.000 1.023 206 N CA 1.399 54.374 53.050 -0.124 0.000 0.852 206 N CB -0.381 38.061 38.487 -0.075 0.000 0.998 206 N HN 0.526 nan 8.380 nan 0.000 0.424 207 L N -0.101 120.991 121.223 -0.219 0.000 2.141 207 L HA -0.063 4.276 4.340 -0.000 0.000 0.209 207 L C 2.021 178.885 176.870 -0.009 0.000 1.094 207 L CA 0.724 55.499 54.840 -0.108 0.000 0.763 207 L CB -0.347 41.661 42.059 -0.084 0.000 0.908 207 L HN 0.163 nan 8.230 nan 0.000 0.437 208 I N 0.108 120.639 120.570 -0.064 0.000 2.315 208 I HA -0.282 3.887 4.170 -0.000 0.000 0.248 208 I C 2.751 178.985 176.117 0.194 0.000 1.117 208 I CA 1.267 62.592 61.300 0.042 0.000 1.404 208 I CB -0.231 37.625 38.000 -0.239 0.000 1.071 208 I HN 0.258 nan 8.210 nan 0.000 0.419 209 K N 1.118 121.586 120.400 0.114 0.000 2.057 209 K HA -0.235 4.085 4.320 -0.000 0.000 0.206 209 K C 2.071 178.752 176.600 0.134 0.000 1.050 209 K CA 1.541 57.946 56.287 0.196 0.000 0.935 209 K CB -0.036 32.631 32.500 0.278 0.000 0.715 209 K HN 0.277 nan 8.250 nan 0.000 0.439 210 E N -0.113 120.139 120.200 0.086 0.000 2.107 210 E HA -0.135 4.214 4.350 -0.000 0.000 0.191 210 E C 1.730 178.369 176.600 0.066 0.000 0.982 210 E CA 0.814 57.249 56.400 0.059 0.000 0.809 210 E CB -0.055 29.656 29.700 0.020 0.000 0.756 210 E HN 0.431 nan 8.360 nan 0.000 0.459 211 A N 0.206 123.084 122.820 0.097 0.000 1.972 211 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 211 A C 1.851 179.437 177.584 0.003 0.000 1.169 211 A CA 1.618 53.698 52.037 0.072 0.000 0.635 211 A CB -0.405 18.689 19.000 0.156 0.000 0.810 211 A HN 0.511 nan 8.150 nan 0.000 0.446 212 G N -3.022 105.813 108.800 0.058 0.000 2.155 212 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.130 212 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.130 212 G C -0.090 174.823 174.900 0.022 0.000 1.027 212 G CA -0.338 44.780 45.100 0.030 0.000 0.705 212 G HN 0.231 nan 8.290 nan 0.000 0.496 213 F N 1.586 121.564 119.950 0.046 0.000 2.572 213 F HA 0.391 4.918 4.527 -0.001 0.000 0.370 213 F C -1.157 174.649 175.800 0.011 0.000 1.103 213 F CA -1.343 56.664 58.000 0.013 0.000 1.286 213 F CB 0.379 39.312 39.000 -0.112 0.000 1.105 213 F HN -0.088 nan 8.300 nan 0.000 0.583 214 P HA 0.040 nan 4.420 nan 0.000 0.267 214 P C -2.519 174.812 177.300 0.050 0.000 1.200 214 P CA -0.845 62.335 63.100 0.133 0.000 0.772 214 P CB -0.054 31.768 31.700 0.202 0.000 0.855 215 P HA 0.044 nan 4.420 nan 0.000 0.266 215 P C 1.055 178.318 177.300 -0.062 0.000 1.195 215 P CA 1.234 64.311 63.100 -0.038 0.000 0.768 215 P CB 0.122 31.796 31.700 -0.042 0.000 0.838 216 G N 0.979 109.712 108.800 -0.111 0.000 2.225 216 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.254 216 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.254 216 G C 1.034 175.843 174.900 -0.151 0.000 0.988 216 G CA 0.245 45.278 45.100 -0.113 0.000 0.625 216 G HN 0.411 nan 8.290 nan 0.000 0.527 217 V N -0.067 119.709 119.914 -0.229 0.000 2.307 217 V HA 0.070 4.189 4.120 -0.000 0.000 0.245 217 V C 1.453 177.331 176.094 -0.359 0.000 1.045 217 V CA 2.073 64.103 62.300 -0.450 0.000 1.024 217 V CB 0.112 31.466 31.823 -0.782 0.000 0.651 217 V HN 0.402 nan 8.190 nan 0.000 0.449 218 V N 1.798 121.553 119.914 -0.265 0.000 2.483 218 V HA 0.450 4.570 4.120 -0.000 0.000 0.297 218 V C -0.788 175.290 176.094 -0.026 0.000 1.027 218 V CA -0.797 61.382 62.300 -0.202 0.000 0.855 218 V CB 1.639 33.275 31.823 -0.311 0.000 0.995 218 V HN 0.451 nan 8.190 nan 0.000 0.424 219 N N 5.729 124.404 118.700 -0.041 0.000 2.314 219 N HA 0.639 5.379 4.740 -0.000 0.000 0.294 219 N C -1.202 174.320 175.510 0.019 0.000 1.029 219 N CA -0.470 52.585 53.050 0.008 0.000 0.845 219 N CB 3.043 41.483 38.487 -0.078 0.000 1.321 219 N HN 0.477 nan 8.380 nan 0.000 0.481 220 I N 1.614 122.230 120.570 0.076 0.000 2.389 220 I HA 0.303 4.473 4.170 -0.000 0.000 0.288 220 I C -0.432 175.742 176.117 0.095 0.000 0.999 220 I CA -0.991 60.350 61.300 0.067 0.000 1.129 220 I CB 2.116 40.154 38.000 0.064 0.000 1.288 220 I HN 0.054 nan 8.210 nan 0.000 0.444 221 V N 8.282 128.241 119.914 0.075 0.000 2.293 221 V HA 0.307 4.426 4.120 -0.000 0.000 0.275 221 V C -2.111 174.041 176.094 0.097 0.000 1.021 221 V CA -1.608 60.741 62.300 0.081 0.000 0.815 221 V CB 1.359 33.207 31.823 0.041 0.000 1.025 221 V HN 0.558 nan 8.190 nan 0.000 0.448 222 P HA 0.590 nan 4.420 nan 0.000 0.278 222 P C 0.204 177.559 177.300 0.092 0.000 1.238 222 P CA 0.421 63.622 63.100 0.168 0.000 0.794 222 P CB 2.170 34.028 31.700 0.263 0.000 0.955 223 G N 1.077 109.802 108.800 -0.124 0.000 2.512 223 G HA2 0.369 4.328 3.960 -0.000 0.000 0.181 223 G HA3 0.369 4.328 3.960 -0.000 0.000 0.181 223 G C -1.806 172.569 174.900 -0.875 0.000 1.173 223 G CA -0.654 44.109 45.100 -0.561 0.000 0.988 223 G HN 0.343 nan 8.290 nan 0.000 0.485 224 F N 0.206 120.061 119.950 -0.159 0.000 2.579 224 F HA 0.592 5.119 4.527 -0.001 0.000 0.324 224 F C 1.550 177.313 175.800 -0.062 0.000 1.058 224 F CA -0.257 57.660 58.000 -0.137 0.000 0.944 224 F CB 2.151 41.056 39.000 -0.158 0.000 1.245 224 F HN 0.696 nan 8.300 nan 0.000 0.477 225 G N 0.672 109.568 108.800 0.160 0.000 2.453 225 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 225 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 225 G C -1.007 173.909 174.900 0.028 0.000 1.201 225 G CA 0.807 45.944 45.100 0.061 0.000 0.784 225 G HN 0.462 nan 8.290 nan 0.000 0.545 226 P HA -0.070 nan 4.420 nan 0.000 0.220 226 P C 1.910 179.223 177.300 0.021 0.000 1.144 226 P CA 2.188 65.291 63.100 0.005 0.000 0.800 226 P CB -0.080 31.618 31.700 -0.003 0.000 0.772 227 T N -4.038 110.550 114.554 0.057 0.000 3.252 227 T HA 0.295 4.645 4.350 -0.000 0.000 0.233 227 T C 1.945 176.667 174.700 0.036 0.000 0.975 227 T CA 0.607 62.738 62.100 0.052 0.000 1.318 227 T CB -1.136 67.783 68.868 0.085 0.000 1.014 227 T HN -0.081 nan 8.240 nan 0.000 0.418 228 A N 1.957 124.798 122.820 0.035 0.000 1.845 228 A HA 0.240 4.560 4.320 -0.000 0.000 0.215 228 A C 2.691 180.288 177.584 0.022 0.000 1.195 228 A CA 2.054 54.105 52.037 0.022 0.000 0.616 228 A CB -1.778 17.224 19.000 0.004 0.000 0.832 228 A HN 0.684 nan 8.150 nan 0.000 0.443 229 G N -0.605 108.204 108.800 0.016 0.000 2.446 229 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.217 229 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.217 229 G C 1.757 176.643 174.900 -0.023 0.000 1.168 229 G CA 1.705 46.803 45.100 -0.004 0.000 0.771 229 G HN 0.876 nan 8.290 nan 0.000 0.551 230 A N 1.088 123.892 122.820 -0.026 0.000 1.933 230 A HA 0.280 4.600 4.320 -0.000 0.000 0.218 230 A C 2.814 180.396 177.584 -0.003 0.000 1.175 230 A CA 2.189 54.208 52.037 -0.029 0.000 0.628 230 A CB -0.737 18.246 19.000 -0.028 0.000 0.814 230 A HN 0.822 nan 8.150 nan 0.000 0.444 231 A N -0.021 122.809 122.820 0.017 0.000 1.933 231 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 231 A C 2.114 179.750 177.584 0.087 0.000 1.175 231 A CA 1.562 53.626 52.037 0.045 0.000 0.628 231 A CB -0.563 18.469 19.000 0.053 0.000 0.814 231 A HN 0.514 nan 8.150 nan 0.000 0.444 232 I N -0.501 120.106 120.570 0.061 0.000 2.202 232 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 232 I C 2.930 179.083 176.117 0.060 0.000 1.091 232 I CA 1.023 62.359 61.300 0.060 0.000 1.368 232 I CB -0.342 37.674 38.000 0.028 0.000 1.058 232 I HN 0.349 nan 8.210 nan 0.000 0.410 233 A N -0.186 122.650 122.820 0.027 0.000 2.015 233 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 233 A C 2.346 179.943 177.584 0.021 0.000 1.163 233 A CA 1.875 53.918 52.037 0.011 0.000 0.646 233 A CB -0.409 18.574 19.000 -0.027 0.000 0.806 233 A HN 0.391 nan 8.150 nan 0.000 0.448 234 S N -1.112 114.604 115.700 0.026 0.000 2.517 234 S HA 0.067 4.537 4.470 -0.000 0.000 0.214 234 S C 0.655 175.266 174.600 0.018 0.000 0.991 234 S CA -0.536 57.668 58.200 0.008 0.000 0.906 234 S CB -0.238 62.952 63.200 -0.018 0.000 0.789 234 S HN 0.665 nan 8.310 nan 0.000 0.513 235 H N 3.134 122.195 119.070 -0.016 0.000 3.070 235 H HA 0.020 4.576 4.556 -0.000 0.000 0.313 235 H C 0.859 176.179 175.328 -0.013 0.000 0.997 235 H CA 0.647 56.687 56.048 -0.014 0.000 1.438 235 H CB 0.545 30.298 29.762 -0.014 0.000 1.455 235 H HN 0.250 nan 8.280 nan 0.000 0.575 236 E N 3.197 123.410 120.200 0.021 0.000 2.472 236 E HA -0.130 4.219 4.350 -0.000 0.000 0.200 236 E C 0.595 177.281 176.600 0.143 0.000 1.046 236 E CA 0.696 57.130 56.400 0.055 0.000 0.871 236 E CB 0.299 29.991 29.700 -0.013 0.000 0.806 236 E HN 0.570 nan 8.360 nan 0.000 0.533 237 D N -0.297 120.308 120.400 0.342 0.000 2.469 237 D HA 0.048 4.688 4.640 -0.000 0.000 0.215 237 D C -0.549 175.774 176.300 0.040 0.000 1.154 237 D CA -0.035 54.072 54.000 0.178 0.000 0.832 237 D CB 0.739 41.646 40.800 0.179 0.000 1.008 237 D HN -0.205 nan 8.370 nan 0.000 0.506 238 V N 1.913 121.856 119.914 0.048 0.000 2.432 238 V HA 0.129 4.249 4.120 -0.000 0.000 0.271 238 V C 0.895 176.980 176.094 -0.015 0.000 1.046 238 V CA -0.255 62.026 62.300 -0.032 0.000 0.945 238 V CB 1.659 33.468 31.823 -0.025 0.000 0.992 238 V HN 0.074 nan 8.190 nan 0.000 0.471 239 D N 3.205 123.576 120.400 -0.048 0.000 2.213 239 D HA 0.029 4.668 4.640 -0.000 0.000 0.205 239 D C 0.779 177.056 176.300 -0.038 0.000 0.961 239 D CA 0.933 54.906 54.000 -0.044 0.000 0.853 239 D CB 0.661 41.413 40.800 -0.079 0.000 0.967 239 D HN 0.489 nan 8.370 nan 0.000 0.496 240 K N 0.491 120.870 120.400 -0.035 0.000 2.542 240 K HA 0.362 4.682 4.320 -0.000 0.000 0.259 240 K C -2.011 174.586 176.600 -0.006 0.000 0.932 240 K CA -0.587 55.681 56.287 -0.032 0.000 0.820 240 K CB 3.178 35.641 32.500 -0.061 0.000 1.345 240 K HN -0.185 nan 8.250 nan 0.000 0.432 241 V N 2.621 122.533 119.914 -0.003 0.000 2.448 241 V HA 0.757 4.877 4.120 -0.000 0.000 0.295 241 V C -1.159 174.960 176.094 0.042 0.000 1.025 241 V CA -0.355 61.964 62.300 0.032 0.000 0.859 241 V CB 1.300 33.145 31.823 0.035 0.000 0.988 241 V HN 0.855 nan 8.190 nan 0.000 0.431 242 A N 7.178 130.047 122.820 0.082 0.000 2.277 242 A HA 0.736 5.055 4.320 -0.000 0.000 0.318 242 A C -1.025 176.659 177.584 0.166 0.000 1.339 242 A CA -0.414 51.676 52.037 0.088 0.000 0.875 242 A CB 0.400 19.463 19.000 0.105 0.000 1.158 242 A HN 1.049 nan 8.150 nan 0.000 0.514 243 F N 2.657 122.611 119.950 0.007 0.000 2.443 243 F HA 0.712 5.239 4.527 -0.000 0.000 0.335 243 F C -0.259 175.547 175.800 0.010 0.000 1.104 243 F CA -0.356 57.651 58.000 0.013 0.000 1.013 243 F CB 1.957 40.960 39.000 0.005 0.000 1.136 243 F HN 0.333 nan 8.300 nan 0.000 0.470 244 T N 4.923 119.072 114.554 -0.675 0.000 2.792 244 T HA 0.798 5.148 4.350 -0.000 0.000 0.280 244 T C -0.038 174.029 174.700 -1.054 0.000 0.990 244 T CA -0.109 61.523 62.100 -0.781 0.000 0.960 244 T CB 1.063 69.778 68.868 -0.255 0.000 0.939 244 T HN 1.159 nan 8.240 nan 0.000 0.439 245 G N 1.723 109.907 108.800 -1.025 0.000 2.398 245 G HA2 0.356 4.315 3.960 -0.000 0.000 0.251 245 G HA3 0.356 4.315 3.960 -0.000 0.000 0.251 245 G C -0.324 174.449 174.900 -0.211 0.000 1.277 245 G CA -0.260 44.570 45.100 -0.450 0.000 0.927 245 G HN 1.026 nan 8.290 nan 0.000 0.477 246 S N -0.231 115.530 115.700 0.101 0.000 2.642 246 S HA 0.226 4.695 4.470 -0.000 0.000 0.308 246 S C 1.508 176.199 174.600 0.152 0.000 1.255 246 S CA 1.501 59.759 58.200 0.097 0.000 1.057 246 S CB 0.624 63.916 63.200 0.154 0.000 0.785 246 S HN 1.148 nan 8.310 nan 0.000 0.500 247 T N 3.331 117.946 114.554 0.102 0.000 2.962 247 T HA -0.052 4.298 4.350 -0.000 0.000 0.270 247 T C 1.539 176.331 174.700 0.152 0.000 1.088 247 T CA 1.445 63.642 62.100 0.161 0.000 1.127 247 T CB -0.215 68.838 68.868 0.307 0.000 0.883 247 T HN 0.814 nan 8.240 nan 0.000 0.493 248 E N 0.309 120.586 120.200 0.129 0.000 2.057 248 E HA -0.033 4.316 4.350 -0.000 0.000 0.190 248 E C 1.984 178.632 176.600 0.079 0.000 0.969 248 E CA 0.363 56.816 56.400 0.087 0.000 0.812 248 E CB 0.079 29.816 29.700 0.062 0.000 0.777 248 E HN 0.214 nan 8.360 nan 0.000 0.455 249 I N 1.357 121.981 120.570 0.090 0.000 2.315 249 I HA -0.198 3.971 4.170 -0.000 0.000 0.251 249 I C 2.450 178.544 176.117 -0.038 0.000 1.125 249 I CA 1.481 62.785 61.300 0.007 0.000 1.392 249 I CB -1.783 36.207 38.000 -0.016 0.000 1.065 249 I HN 0.167 nan 8.210 nan 0.000 0.424 250 G N 0.932 109.854 108.800 0.204 0.000 2.507 250 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.221 250 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.221 250 G C 1.829 176.775 174.900 0.077 0.000 1.119 250 G CA 0.843 46.104 45.100 0.268 0.000 0.751 250 G HN 0.399 nan 8.290 nan 0.000 0.574 251 R N -0.097 120.431 120.500 0.048 0.000 2.096 251 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 251 R C 2.532 178.820 176.300 -0.021 0.000 1.127 251 R CA 1.136 57.244 56.100 0.013 0.000 0.968 251 R CB -0.610 29.697 30.300 0.011 0.000 0.861 251 R HN 0.329 nan 8.270 nan 0.000 0.440 252 V N 1.475 121.359 119.914 -0.051 0.000 2.343 252 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 252 V C 2.242 178.281 176.094 -0.093 0.000 1.051 252 V CA 1.434 63.688 62.300 -0.077 0.000 1.036 252 V CB -0.482 31.277 31.823 -0.106 0.000 0.654 252 V HN 0.171 nan 8.190 nan 0.000 0.451 253 I N 0.186 120.678 120.570 -0.131 0.000 2.113 253 I HA -0.280 3.889 4.170 -0.000 0.000 0.238 253 I C 2.560 178.654 176.117 -0.038 0.000 1.070 253 I CA 1.758 62.991 61.300 -0.112 0.000 1.332 253 I CB -1.560 36.370 38.000 -0.117 0.000 1.044 253 I HN 0.370 nan 8.210 nan 0.000 0.402 254 Q N 0.366 120.160 119.800 -0.010 0.000 2.135 254 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 254 Q C 2.276 178.268 176.000 -0.014 0.000 0.981 254 Q CA 1.693 57.495 55.803 -0.002 0.000 0.856 254 Q CB 0.106 28.849 28.738 0.009 0.000 0.902 254 Q HN 0.363 nan 8.270 nan 0.000 0.425 255 V N -0.086 119.815 119.914 -0.021 0.000 2.407 255 V HA -0.139 3.980 4.120 -0.000 0.000 0.245 255 V C 2.142 178.221 176.094 -0.025 0.000 1.041 255 V CA 1.474 63.761 62.300 -0.022 0.000 1.040 255 V CB -0.679 31.129 31.823 -0.024 0.000 0.671 255 V HN 0.492 nan 8.190 nan 0.000 0.455 256 A N 0.082 122.883 122.820 -0.032 0.000 1.902 256 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 256 A C 2.372 179.944 177.584 -0.021 0.000 1.181 256 A CA 2.028 54.047 52.037 -0.030 0.000 0.623 256 A CB -0.667 18.309 19.000 -0.039 0.000 0.818 256 A HN 0.543 nan 8.150 nan 0.000 0.443 257 A N -0.598 122.211 122.820 -0.018 0.000 1.929 257 A HA 0.201 4.520 4.320 -0.000 0.000 0.216 257 A C 2.360 179.937 177.584 -0.011 0.000 1.176 257 A CA 1.678 53.709 52.037 -0.010 0.000 0.628 257 A CB -1.235 17.761 19.000 -0.008 0.000 0.816 257 A HN 0.706 nan 8.150 nan 0.000 0.444 258 G N -0.899 107.893 108.800 -0.014 0.000 2.443 258 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.219 258 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.219 258 G C 1.546 176.437 174.900 -0.014 0.000 1.131 258 G CA 1.247 46.338 45.100 -0.014 0.000 0.775 258 G HN 0.502 nan 8.290 nan 0.000 0.547 259 S N 0.260 115.950 115.700 -0.016 0.000 2.524 259 S HA 0.047 4.517 4.470 -0.000 0.000 0.216 259 S C 2.440 177.030 174.600 -0.017 0.000 0.987 259 S CA 0.735 58.925 58.200 -0.017 0.000 0.909 259 S CB 0.241 63.430 63.200 -0.019 0.000 0.781 259 S HN 0.600 nan 8.310 nan 0.000 0.521 260 S N 3.525 119.217 115.700 -0.014 0.000 2.289 260 S HA 0.043 4.512 4.470 -0.000 0.000 0.193 260 S C 1.085 175.680 174.600 -0.008 0.000 1.002 260 S CA 0.732 58.924 58.200 -0.013 0.000 0.951 260 S CB -0.391 62.807 63.200 -0.004 0.000 0.920 260 S HN 0.552 nan 8.310 nan 0.000 0.502 261 N N 0.510 119.209 118.700 -0.001 0.000 2.217 261 N HA 0.218 4.957 4.740 -0.000 0.000 0.239 261 N C -0.168 175.341 175.510 -0.002 0.000 1.330 261 N CA -0.104 52.947 53.050 0.001 0.000 0.838 261 N CB -0.461 38.033 38.487 0.012 0.000 1.287 261 N HN 0.497 nan 8.380 nan 0.000 0.498 262 L N 0.585 121.805 121.223 -0.006 0.000 3.597 262 L HA -0.275 4.064 4.340 -0.000 0.000 0.440 262 L C -0.175 176.689 176.870 -0.011 0.000 1.277 262 L CA 0.646 55.480 54.840 -0.010 0.000 0.852 262 L CB -1.404 40.649 42.059 -0.010 0.000 1.708 262 L HN 0.447 nan 8.230 nan 0.000 0.885 263 K N -0.184 120.211 120.400 -0.009 0.000 2.168 263 K HA 0.503 4.823 4.320 -0.000 0.000 0.258 263 K C 0.402 176.989 176.600 -0.023 0.000 1.010 263 K CA -0.946 55.333 56.287 -0.013 0.000 0.929 263 K CB 0.849 33.345 32.500 -0.005 0.000 0.998 263 K HN 0.097 nan 8.250 nan 0.000 0.479 264 R N 1.164 121.643 120.500 -0.035 0.000 2.484 264 R HA 0.068 4.407 4.340 -0.000 0.000 0.293 264 R C -1.110 175.161 176.300 -0.049 0.000 1.023 264 R CA -0.005 56.063 56.100 -0.053 0.000 1.037 264 R CB 0.268 30.522 30.300 -0.078 0.000 0.951 264 R HN 0.497 nan 8.270 nan 0.000 0.418 265 V N 4.328 124.216 119.914 -0.044 0.000 2.482 265 V HA 0.322 4.442 4.120 -0.000 0.000 0.295 265 V C -0.147 175.929 176.094 -0.030 0.000 1.026 265 V CA -0.844 61.443 62.300 -0.023 0.000 0.856 265 V CB 1.706 33.528 31.823 -0.002 0.000 1.001 265 V HN 0.966 nan 8.190 nan 0.000 0.424 266 T N 3.381 117.916 114.554 -0.031 0.000 2.888 266 T HA 0.885 5.234 4.350 -0.000 0.000 0.284 266 T C -0.799 173.903 174.700 0.004 0.000 1.017 266 T CA -0.694 61.379 62.100 -0.045 0.000 1.022 266 T CB 1.770 70.577 68.868 -0.102 0.000 1.013 266 T HN 0.373 nan 8.240 nan 0.000 0.465 267 L N 1.436 122.646 121.223 -0.022 0.000 2.401 267 L HA 0.579 4.918 4.340 -0.000 0.000 0.266 267 L C -0.170 176.623 176.870 -0.129 0.000 0.991 267 L CA -0.875 53.947 54.840 -0.030 0.000 0.818 267 L CB 2.415 44.504 42.059 0.049 0.000 1.321 267 L HN 0.670 nan 8.230 nan 0.000 0.413 268 E N 4.051 124.100 120.200 -0.252 0.000 2.149 268 E HA 0.496 4.846 4.350 -0.000 0.000 0.255 268 E C -1.181 175.237 176.600 -0.304 0.000 0.888 268 E CA -0.275 55.968 56.400 -0.262 0.000 0.742 268 E CB 1.737 31.292 29.700 -0.242 0.000 1.164 268 E HN 0.422 nan 8.360 nan 0.000 0.422 269 L N 0.338 121.452 121.223 -0.181 0.000 2.341 269 L HA 0.633 4.973 4.340 -0.000 0.000 0.267 269 L C 1.368 178.121 176.870 -0.195 0.000 1.022 269 L CA -1.119 53.639 54.840 -0.137 0.000 0.844 269 L CB 0.301 42.373 42.059 0.022 0.000 1.436 269 L HN 0.394 nan 8.230 nan 0.000 0.483 270 G N -1.138 107.488 108.800 -0.290 0.000 2.418 270 G HA2 0.464 4.423 3.960 -0.000 0.000 0.276 270 G HA3 0.464 4.423 3.960 -0.000 0.000 0.276 270 G C -0.184 174.190 174.900 -0.876 0.000 1.442 270 G CA 0.323 45.088 45.100 -0.559 0.000 1.066 270 G HN 0.984 nan 8.290 nan 0.000 0.553 271 G N -2.588 105.533 108.800 -1.132 0.000 2.466 271 G HA2 0.472 4.431 3.960 -0.000 0.000 0.291 271 G HA3 0.472 4.431 3.960 -0.000 0.000 0.291 271 G C -1.276 173.481 174.900 -0.238 0.000 1.460 271 G CA -0.410 44.264 45.100 -0.710 0.000 0.791 271 G HN 0.596 nan 8.290 nan 0.000 0.505 272 K N 0.612 121.082 120.400 0.117 0.000 3.301 272 K HA 0.453 4.773 4.320 -0.000 0.000 0.170 272 K C 0.130 176.835 176.600 0.175 0.000 1.061 272 K CA -0.321 56.073 56.287 0.178 0.000 0.807 272 K CB 0.202 32.864 32.500 0.269 0.000 0.889 272 K HN 0.451 nan 8.250 nan 0.000 0.564 273 S N 3.725 119.532 115.700 0.177 0.000 2.546 273 S HA 0.081 4.551 4.470 -0.000 0.000 0.290 273 S C -2.309 172.436 174.600 0.242 0.000 1.262 273 S CA -0.496 57.844 58.200 0.233 0.000 1.083 273 S CB 0.118 63.526 63.200 0.347 0.000 0.859 273 S HN 0.360 nan 8.310 nan 0.000 0.495 274 P HA 0.189 nan 4.420 nan 0.000 0.286 274 P C -0.943 176.556 177.300 0.332 0.000 1.269 274 P CA -0.582 62.715 63.100 0.328 0.000 0.787 274 P CB 0.457 32.361 31.700 0.341 0.000 0.920 275 N N 3.804 122.701 118.700 0.328 0.000 2.511 275 N HA 0.313 5.052 4.740 -0.000 0.000 0.249 275 N C -0.704 174.985 175.510 0.298 0.000 0.971 275 N CA -0.634 52.623 53.050 0.344 0.000 0.938 275 N CB 0.391 39.027 38.487 0.249 0.000 1.131 275 N HN 0.313 nan 8.380 nan 0.000 0.505 276 I N 4.823 125.564 120.570 0.284 0.000 2.312 276 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 276 I C -0.035 176.260 176.117 0.298 0.000 1.031 276 I CA -0.599 60.822 61.300 0.203 0.000 1.293 276 I CB 1.008 39.021 38.000 0.021 0.000 1.403 276 I HN 0.375 nan 8.210 nan 0.000 0.484 277 I N 7.106 127.839 120.570 0.272 0.000 2.306 277 I HA 0.308 4.477 4.170 -0.000 0.000 0.288 277 I C 0.130 176.444 176.117 0.328 0.000 1.036 277 I CA -0.422 61.023 61.300 0.242 0.000 1.221 277 I CB 0.669 38.620 38.000 -0.082 0.000 1.385 277 I HN 0.471 nan 8.210 nan 0.000 0.472 278 M N 3.773 123.570 119.600 0.328 0.000 2.247 278 M HA 0.173 4.653 4.480 -0.000 0.000 0.326 278 M C 1.660 178.071 176.300 0.186 0.000 1.134 278 M CA -0.080 55.393 55.300 0.288 0.000 1.136 278 M CB 0.992 33.744 32.600 0.253 0.000 1.454 278 M HN 0.652 nan 8.290 nan 0.000 0.467 279 S N 0.488 116.255 115.700 0.112 0.000 2.419 279 S HA -0.151 4.319 4.470 -0.000 0.000 0.233 279 S C 0.766 175.428 174.600 0.104 0.000 1.016 279 S CA 1.354 59.602 58.200 0.080 0.000 0.974 279 S CB -0.536 62.681 63.200 0.027 0.000 0.786 279 S HN 0.758 nan 8.310 nan 0.000 0.492 280 D N 1.766 122.235 120.400 0.115 0.000 2.370 280 D HA 0.444 5.084 4.640 -0.000 0.000 0.230 280 D C 0.414 176.805 176.300 0.151 0.000 1.143 280 D CA -0.042 54.026 54.000 0.113 0.000 0.834 280 D CB -0.239 40.616 40.800 0.092 0.000 0.944 280 D HN 0.497 nan 8.370 nan 0.000 0.504 281 A N 0.222 123.159 122.820 0.194 0.000 2.271 281 A HA 0.284 4.604 4.320 -0.000 0.000 0.288 281 A C 0.093 177.827 177.584 0.250 0.000 1.094 281 A CA -0.608 51.588 52.037 0.265 0.000 0.828 281 A CB 0.544 19.752 19.000 0.348 0.000 1.091 281 A HN 0.109 nan 8.150 nan 0.000 0.493 282 D N 1.553 122.140 120.400 0.311 0.000 2.359 282 D HA 0.136 4.776 4.640 -0.000 0.000 0.250 282 D C 1.057 177.523 176.300 0.277 0.000 1.264 282 D CA -0.264 53.904 54.000 0.280 0.000 0.911 282 D CB 0.502 41.492 40.800 0.317 0.000 1.056 282 D HN 0.427 nan 8.370 nan 0.000 0.499 283 M N 4.083 123.801 119.600 0.197 0.000 2.163 283 M HA -0.236 4.243 4.480 -0.000 0.000 0.258 283 M C 1.084 177.443 176.300 0.098 0.000 1.071 283 M CA 1.875 57.267 55.300 0.154 0.000 1.093 283 M CB -0.499 32.165 32.600 0.105 0.000 1.285 283 M HN 0.295 nan 8.290 nan 0.000 0.420 284 D N -0.820 119.641 120.400 0.102 0.000 2.126 284 D HA -0.267 4.373 4.640 -0.000 0.000 0.190 284 D C 1.795 178.188 176.300 0.155 0.000 1.001 284 D CA 1.782 55.835 54.000 0.089 0.000 0.841 284 D CB -0.714 40.152 40.800 0.111 0.000 0.949 284 D HN 0.684 nan 8.370 nan 0.000 0.446 285 W N 1.205 122.526 121.300 0.035 0.000 2.381 285 W HA -0.149 4.511 4.660 -0.000 0.000 0.301 285 W C 2.144 178.677 176.519 0.023 0.000 1.205 285 W CA 1.358 58.747 57.345 0.072 0.000 1.285 285 W CB -0.025 29.529 29.460 0.158 0.000 1.133 285 W HN -0.002 nan 8.180 nan 0.000 0.521 286 A N 0.076 122.899 122.820 0.005 0.000 1.898 286 A HA -0.149 4.170 4.320 -0.000 0.000 0.216 286 A C 1.981 179.416 177.584 -0.249 0.000 1.181 286 A CA 1.888 53.734 52.037 -0.320 0.000 0.620 286 A CB -1.094 17.930 19.000 0.040 0.000 0.819 286 A HN 0.132 nan 8.150 nan 0.000 0.442 287 V N -0.009 119.771 119.914 -0.224 0.000 2.358 287 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 287 V C 2.645 178.558 176.094 -0.303 0.000 1.047 287 V CA 2.287 64.301 62.300 -0.476 0.000 1.035 287 V CB -0.550 30.962 31.823 -0.519 0.000 0.658 287 V HN 0.626 nan 8.190 nan 0.000 0.452 288 E N -0.104 119.945 120.200 -0.251 0.000 2.107 288 E HA -0.167 4.182 4.350 -0.000 0.000 0.191 288 E C 2.259 178.751 176.600 -0.180 0.000 0.982 288 E CA 1.133 57.411 56.400 -0.203 0.000 0.809 288 E CB -0.225 29.361 29.700 -0.191 0.000 0.756 288 E HN 0.461 nan 8.360 nan 0.000 0.459 289 Q N -0.372 119.208 119.800 -0.368 0.000 2.172 289 Q HA 0.045 4.385 4.340 -0.000 0.000 0.200 289 Q C 2.011 177.917 176.000 -0.155 0.000 0.964 289 Q CA 1.294 56.919 55.803 -0.296 0.000 0.855 289 Q CB -0.335 28.081 28.738 -0.536 0.000 0.918 289 Q HN 0.344 nan 8.270 nan 0.000 0.444 290 A N -0.130 122.582 122.820 -0.181 0.000 1.898 290 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 290 A C 1.921 179.515 177.584 0.017 0.000 1.181 290 A CA 1.791 53.787 52.037 -0.068 0.000 0.620 290 A CB -0.767 18.349 19.000 0.194 0.000 0.819 290 A HN 0.473 nan 8.150 nan 0.000 0.442 291 H N -1.407 117.665 119.070 0.004 0.000 2.319 291 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 291 H C 1.727 177.202 175.328 0.244 0.000 1.092 291 H CA 2.287 58.423 56.048 0.146 0.000 1.302 291 H CB -0.389 29.363 29.762 -0.018 0.000 1.373 291 H HN 0.511 nan 8.280 nan 0.000 0.497 292 F N 0.550 120.535 119.950 0.059 0.000 2.134 292 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 292 F C 2.506 178.255 175.800 -0.085 0.000 1.097 292 F CA 1.257 59.261 58.000 0.007 0.000 1.264 292 F CB -0.520 38.436 39.000 -0.073 0.000 1.001 292 F HN 0.289 nan 8.300 nan 0.000 0.479 293 A N 0.447 122.984 122.820 -0.472 0.000 1.948 293 A HA -0.205 4.114 4.320 -0.000 0.000 0.220 293 A C 2.100 179.291 177.584 -0.654 0.000 1.177 293 A CA 2.095 53.567 52.037 -0.941 0.000 0.636 293 A CB -0.971 17.294 19.000 -1.225 0.000 0.815 293 A HN 0.630 nan 8.150 nan 0.000 0.449 294 L N -3.558 117.424 121.223 -0.401 0.000 2.388 294 L HA 0.347 4.687 4.340 -0.000 0.000 0.209 294 L C 1.773 178.389 176.870 -0.424 0.000 1.061 294 L CA 0.749 55.342 54.840 -0.412 0.000 0.834 294 L CB 0.100 41.871 42.059 -0.480 0.000 1.029 294 L HN 0.234 nan 8.230 nan 0.000 0.473 295 F N -0.758 119.039 119.950 -0.255 0.000 2.743 295 F HA 0.104 4.631 4.527 -0.000 0.000 0.297 295 F C 0.943 176.689 175.800 -0.090 0.000 1.131 295 F CA -0.139 57.729 58.000 -0.220 0.000 1.426 295 F CB -0.142 38.606 39.000 -0.420 0.000 1.116 295 F HN -0.076 nan 8.300 nan 0.000 0.583 296 F N 1.907 121.808 119.950 -0.082 0.000 2.607 296 F HA -0.033 4.493 4.527 -0.001 0.000 0.374 296 F C 1.212 176.985 175.800 -0.045 0.000 1.104 296 F CA -0.094 57.889 58.000 -0.027 0.000 1.296 296 F CB 0.166 39.030 39.000 -0.227 0.000 1.085 296 F HN 0.097 nan 8.300 nan 0.000 0.584 297 N N 3.662 121.853 118.700 -0.849 0.000 2.714 297 N HA -0.296 4.444 4.740 -0.000 0.000 0.253 297 N C -0.132 175.147 175.510 -0.386 0.000 1.024 297 N CA 1.318 53.920 53.050 -0.746 0.000 0.726 297 N CB -0.991 36.938 38.487 -0.930 0.000 0.908 297 N HN 0.764 nan 8.380 nan 0.000 0.542 298 Q N -1.627 118.050 119.800 -0.205 0.000 2.461 298 Q HA -0.182 4.157 4.340 -0.000 0.000 0.273 298 Q C 1.235 177.153 176.000 -0.138 0.000 1.163 298 Q CA 2.139 57.884 55.803 -0.098 0.000 0.929 298 Q CB -1.806 26.876 28.738 -0.093 0.000 1.334 298 Q HN 1.147 nan 8.270 nan 0.000 0.499 299 G N -1.051 107.630 108.800 -0.198 0.000 2.175 299 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.265 299 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.265 299 G C 0.072 174.701 174.900 -0.451 0.000 0.979 299 G CA 0.569 45.495 45.100 -0.290 0.000 0.663 299 G HN 0.489 nan 8.290 nan 0.000 0.533 300 Q N -0.083 119.408 119.800 -0.515 0.000 3.091 300 Q HA 0.506 4.846 4.340 -0.000 0.000 0.301 300 Q C -0.226 175.186 176.000 -0.981 0.000 1.337 300 Q CA -0.216 55.005 55.803 -0.969 0.000 1.083 300 Q CB 0.485 29.017 28.738 -0.344 0.000 1.477 300 Q HN 0.393 nan 8.270 nan 0.000 0.537 301 C N -0.265 118.508 119.300 -0.879 0.000 2.482 301 C HA 0.214 4.674 4.460 -0.000 0.000 0.317 301 C C 1.896 176.913 174.990 0.044 0.000 1.197 301 C CA -1.128 57.784 59.018 -0.176 0.000 1.432 301 C CB 0.595 28.417 27.740 0.136 0.000 2.062 301 C HN 0.919 nan 8.230 nan 0.000 0.471 302 C N -0.170 119.354 119.300 0.373 0.000 2.411 302 C HA -0.107 4.352 4.460 -0.000 0.000 0.279 302 C C 1.821 176.995 174.990 0.306 0.000 1.288 302 C CA 1.228 60.497 59.018 0.418 0.000 1.764 302 C CB -2.266 25.646 27.740 0.287 0.000 1.974 302 C HN 0.949 nan 8.230 nan 0.000 0.498 303 C N 0.840 120.374 119.300 0.390 0.000 2.668 303 C HA 0.748 5.207 4.460 -0.000 0.000 0.301 303 C C 1.257 176.510 174.990 0.438 0.000 1.351 303 C CA -0.889 58.402 59.018 0.456 0.000 1.757 303 C CB -2.362 25.804 27.740 0.710 0.000 2.179 303 C HN 0.686 nan 8.230 nan 0.000 0.586 304 A N 1.089 124.049 122.820 0.233 0.000 2.531 304 A HA 0.456 4.776 4.320 -0.000 0.000 0.236 304 A C 1.151 178.768 177.584 0.055 0.000 1.062 304 A CA 0.805 52.879 52.037 0.061 0.000 0.760 304 A CB -0.080 18.869 19.000 -0.086 0.000 0.995 304 A HN 1.142 nan 8.150 nan 0.000 0.501 305 G N 1.509 110.170 108.800 -0.232 0.000 3.008 305 G HA2 0.317 4.277 3.960 -0.000 0.000 0.272 305 G HA3 0.317 4.277 3.960 -0.000 0.000 0.272 305 G C 0.931 175.749 174.900 -0.136 0.000 0.764 305 G CA 0.374 45.362 45.100 -0.187 0.000 2.029 305 G HN 1.099 nan 8.290 nan 0.000 0.587 306 S N 0.644 116.312 115.700 -0.053 0.000 2.561 306 S HA 0.112 4.582 4.470 -0.000 0.000 0.225 306 S C 1.056 175.618 174.600 -0.063 0.000 0.977 306 S CA 0.024 58.177 58.200 -0.079 0.000 0.926 306 S CB 0.433 63.604 63.200 -0.048 0.000 0.769 306 S HN 0.420 nan 8.310 nan 0.000 0.533 307 R N 1.697 122.181 120.500 -0.026 0.000 2.412 307 R HA 0.329 4.669 4.340 -0.000 0.000 0.304 307 R C -1.261 174.983 176.300 -0.093 0.000 1.066 307 R CA -0.083 55.959 56.100 -0.097 0.000 0.923 307 R CB 1.433 31.715 30.300 -0.031 0.000 1.156 307 R HN 0.105 nan 8.270 nan 0.000 0.513 308 T N 4.282 118.748 114.554 -0.148 0.000 2.811 308 T HA 0.287 4.637 4.350 -0.000 0.000 0.309 308 T C -0.266 174.357 174.700 -0.130 0.000 1.005 308 T CA -0.193 61.862 62.100 -0.075 0.000 0.955 308 T CB -0.061 68.784 68.868 -0.037 0.000 0.970 308 T HN 0.192 nan 8.240 nan 0.000 0.496 309 F N 2.694 122.658 119.950 0.023 0.000 2.421 309 F HA 0.408 4.935 4.527 -0.001 0.000 0.358 309 F C 0.381 176.317 175.800 0.226 0.000 1.115 309 F CA -0.720 57.342 58.000 0.103 0.000 1.160 309 F CB 0.725 39.659 39.000 -0.110 0.000 1.123 309 F HN 0.180 nan 8.300 nan 0.000 0.508 310 V N 4.022 124.201 119.914 0.443 0.000 2.448 310 V HA 0.244 4.364 4.120 -0.000 0.000 0.295 310 V C -0.021 176.160 176.094 0.145 0.000 1.025 310 V CA -1.085 61.353 62.300 0.231 0.000 0.859 310 V CB 1.470 33.221 31.823 -0.120 0.000 0.988 310 V HN 0.560 nan 8.190 nan 0.000 0.431 311 Q N 3.139 122.822 119.800 -0.195 0.000 2.330 311 Q HA 0.014 4.354 4.340 -0.000 0.000 0.279 311 Q C 1.462 177.275 176.000 -0.313 0.000 1.024 311 Q CA 0.351 55.644 55.803 -0.849 0.000 0.900 311 Q CB 1.113 29.476 28.738 -0.625 0.000 1.221 311 Q HN 1.023 nan 8.270 nan 0.000 0.396 312 E N 2.902 122.903 120.200 -0.332 0.000 2.136 312 E HA -0.288 4.062 4.350 -0.000 0.000 0.202 312 E C 0.338 176.923 176.600 -0.025 0.000 1.019 312 E CA 1.868 58.187 56.400 -0.136 0.000 0.819 312 E CB 0.002 29.610 29.700 -0.155 0.000 0.739 312 E HN 0.553 nan 8.360 nan 0.000 0.458 313 D N 0.807 121.178 120.400 -0.049 0.000 2.263 313 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 313 D C 1.992 178.324 176.300 0.052 0.000 0.971 313 D CA 1.400 55.402 54.000 0.004 0.000 0.867 313 D CB -0.010 40.785 40.800 -0.009 0.000 0.929 313 D HN 0.637 nan 8.370 nan 0.000 0.492 314 I N -3.727 116.886 120.570 0.072 0.000 4.154 314 I HA 0.148 4.317 4.170 -0.000 0.000 0.334 314 I C 1.951 178.169 176.117 0.169 0.000 1.371 314 I CA -0.539 60.829 61.300 0.113 0.000 1.110 314 I CB -0.185 37.883 38.000 0.114 0.000 1.085 314 I HN -0.238 nan 8.210 nan 0.000 0.398 315 Y N 2.988 123.313 120.300 0.042 0.000 2.014 315 Y HA -0.360 4.190 4.550 -0.001 0.000 0.272 315 Y C 2.187 178.158 175.900 0.118 0.000 1.164 315 Y CA 2.439 60.580 58.100 0.069 0.000 1.114 315 Y CB -0.175 38.299 38.460 0.024 0.000 0.961 315 Y HN 0.175 nan 8.280 nan 0.000 0.489 316 D N 0.055 120.572 120.400 0.195 0.000 2.106 316 D HA -0.250 4.389 4.640 -0.000 0.000 0.191 316 D C 2.114 178.420 176.300 0.010 0.000 0.997 316 D CA 1.887 55.938 54.000 0.085 0.000 0.834 316 D CB -0.511 40.367 40.800 0.130 0.000 0.956 316 D HN 0.636 nan 8.370 nan 0.000 0.448 317 E N -0.705 119.525 120.200 0.050 0.000 2.077 317 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 317 E C 2.131 178.741 176.600 0.016 0.000 0.989 317 E CA 0.548 56.967 56.400 0.032 0.000 0.800 317 E CB -0.231 29.503 29.700 0.056 0.000 0.746 317 E HN 0.224 nan 8.360 nan 0.000 0.452 318 F N 0.666 120.562 119.950 -0.091 0.000 2.102 318 F HA -0.231 4.296 4.527 -0.001 0.000 0.298 318 F C 2.135 177.840 175.800 -0.158 0.000 1.105 318 F CA 1.416 59.350 58.000 -0.109 0.000 1.239 318 F CB -0.240 38.701 39.000 -0.098 0.000 0.991 318 F HN -0.108 nan 8.300 nan 0.000 0.474 319 V N 0.348 120.243 119.914 -0.031 0.000 2.255 319 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 319 V C 2.405 178.431 176.094 -0.113 0.000 1.051 319 V CA 2.346 64.571 62.300 -0.125 0.000 1.018 319 V CB -0.785 30.861 31.823 -0.295 0.000 0.641 319 V HN 0.375 nan 8.190 nan 0.000 0.445 320 E N 0.110 120.251 120.200 -0.099 0.000 2.049 320 E HA -0.282 4.068 4.350 -0.000 0.000 0.198 320 E C 2.493 179.020 176.600 -0.121 0.000 1.007 320 E CA 1.915 58.264 56.400 -0.085 0.000 0.809 320 E CB -0.090 29.575 29.700 -0.058 0.000 0.749 320 E HN 0.571 nan 8.360 nan 0.000 0.450 321 R N -0.106 120.293 120.500 -0.169 0.000 2.096 321 R HA -0.055 4.284 4.340 -0.000 0.000 0.235 321 R C 2.612 178.754 176.300 -0.262 0.000 1.127 321 R CA 1.399 57.368 56.100 -0.218 0.000 0.968 321 R CB -0.216 29.923 30.300 -0.268 0.000 0.861 321 R HN 0.023 nan 8.270 nan 0.000 0.440 322 S N 0.548 116.062 115.700 -0.309 0.000 2.368 322 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 322 S C 2.161 176.692 174.600 -0.115 0.000 1.029 322 S CA 1.136 59.189 58.200 -0.244 0.000 0.988 322 S CB -0.117 62.964 63.200 -0.199 0.000 0.838 322 S HN 0.060 nan 8.310 nan 0.000 0.462 323 V N 2.149 122.006 119.914 -0.095 0.000 2.343 323 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 323 V C 2.672 178.710 176.094 -0.092 0.000 1.051 323 V CA 1.628 63.889 62.300 -0.065 0.000 1.036 323 V CB -1.243 30.547 31.823 -0.055 0.000 0.654 323 V HN 0.533 nan 8.190 nan 0.000 0.451 324 A N 0.389 123.140 122.820 -0.114 0.000 1.902 324 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 324 A C 2.314 179.799 177.584 -0.165 0.000 1.181 324 A CA 2.203 54.167 52.037 -0.122 0.000 0.623 324 A CB -0.539 18.390 19.000 -0.119 0.000 0.818 324 A HN 0.439 nan 8.150 nan 0.000 0.443 325 R N 0.294 120.660 120.500 -0.223 0.000 2.081 325 R HA -0.008 4.331 4.340 -0.000 0.000 0.235 325 R C 2.138 178.221 176.300 -0.362 0.000 1.131 325 R CA 1.993 57.873 56.100 -0.366 0.000 0.960 325 R CB -1.110 28.886 30.300 -0.507 0.000 0.856 325 R HN 0.394 nan 8.270 nan 0.000 0.436 326 A N 0.685 123.386 122.820 -0.199 0.000 1.898 326 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 326 A C 2.026 179.524 177.584 -0.142 0.000 1.181 326 A CA 1.574 53.509 52.037 -0.171 0.000 0.620 326 A CB -0.402 18.517 19.000 -0.134 0.000 0.819 326 A HN 0.363 nan 8.150 nan 0.000 0.442 327 K N 0.248 120.580 120.400 -0.113 0.000 2.209 327 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 327 K C 2.129 178.676 176.600 -0.090 0.000 1.048 327 K CA 1.480 57.717 56.287 -0.085 0.000 0.940 327 K CB -0.119 32.337 32.500 -0.074 0.000 0.729 327 K HN 0.671 nan 8.250 nan 0.000 0.451 328 S N 0.364 115.991 115.700 -0.121 0.000 2.524 328 S HA -0.007 4.463 4.470 -0.000 0.000 0.216 328 S C 0.831 175.370 174.600 -0.103 0.000 0.987 328 S CA -0.327 57.806 58.200 -0.111 0.000 0.909 328 S CB -0.013 63.108 63.200 -0.132 0.000 0.781 328 S HN 0.131 nan 8.310 nan 0.000 0.521 329 R N 1.862 122.294 120.500 -0.113 0.000 2.486 329 R HA 0.138 4.478 4.340 -0.000 0.000 0.303 329 R C -1.009 175.271 176.300 -0.033 0.000 0.958 329 R CA 0.025 56.085 56.100 -0.066 0.000 1.077 329 R CB 0.108 30.363 30.300 -0.075 0.000 0.921 329 R HN 0.196 nan 8.270 nan 0.000 0.406 330 V N 6.537 126.442 119.914 -0.014 0.000 2.427 330 V HA 0.128 4.247 4.120 -0.000 0.000 0.268 330 V C 0.052 176.156 176.094 0.017 0.000 1.046 330 V CA -0.326 61.970 62.300 -0.007 0.000 0.970 330 V CB 1.274 33.093 31.823 -0.007 0.000 1.001 330 V HN 0.463 nan 8.190 nan 0.000 0.476 331 V N 4.938 124.857 119.914 0.008 0.000 2.435 331 V HA 1.002 5.122 4.120 -0.000 0.000 0.290 331 V C 0.643 176.694 176.094 -0.071 0.000 1.030 331 V CA 0.471 62.791 62.300 0.033 0.000 0.881 331 V CB 0.953 32.818 31.823 0.070 0.000 0.983 331 V HN 1.123 nan 8.190 nan 0.000 0.445 332 G N 3.503 112.251 108.800 -0.087 0.000 2.336 332 G HA2 0.144 4.104 3.960 -0.000 0.000 0.286 332 G HA3 0.144 4.104 3.960 -0.000 0.000 0.286 332 G C -0.992 173.847 174.900 -0.101 0.000 1.269 332 G CA -0.897 44.042 45.100 -0.267 0.000 0.873 332 G HN 0.621 nan 8.290 nan 0.000 0.494 333 N N 1.994 120.648 118.700 -0.078 0.000 2.374 333 N HA 0.155 4.895 4.740 -0.000 0.000 0.269 333 N C -0.587 174.991 175.510 0.113 0.000 1.310 333 N CA -0.997 52.099 53.050 0.075 0.000 0.877 333 N CB 1.263 39.790 38.487 0.067 0.000 1.096 333 N HN 0.127 nan 8.380 nan 0.000 0.484 334 P HA -0.158 nan 4.420 nan 0.000 0.221 334 P C 0.821 178.077 177.300 -0.073 0.000 1.145 334 P CA 1.313 64.404 63.100 -0.015 0.000 0.795 334 P CB -0.054 31.558 31.700 -0.146 0.000 0.775 335 F N -0.367 119.621 119.950 0.064 0.000 2.780 335 F HA 0.054 4.581 4.527 -0.001 0.000 0.299 335 F C 1.330 177.146 175.800 0.027 0.000 1.146 335 F CA 0.156 58.172 58.000 0.026 0.000 1.428 335 F CB -0.061 38.906 39.000 -0.055 0.000 1.115 335 F HN -0.121 nan 8.300 nan 0.000 0.583 336 D N 0.065 120.568 120.400 0.171 0.000 2.277 336 D HA 0.011 4.651 4.640 -0.000 0.000 0.249 336 D C 1.231 177.590 176.300 0.100 0.000 1.134 336 D CA 0.274 54.340 54.000 0.109 0.000 0.863 336 D CB 1.548 42.385 40.800 0.061 0.000 1.143 336 D HN 0.144 nan 8.370 nan 0.000 0.458 337 S N 4.102 119.860 115.700 0.096 0.000 2.392 337 S HA -0.239 4.231 4.470 -0.000 0.000 0.232 337 S C 1.426 176.063 174.600 0.061 0.000 1.041 337 S CA 1.035 59.287 58.200 0.088 0.000 1.026 337 S CB -0.093 63.148 63.200 0.069 0.000 0.845 337 S HN 0.555 nan 8.310 nan 0.000 0.465 338 K N 0.937 121.363 120.400 0.044 0.000 2.365 338 K HA 0.098 4.418 4.320 -0.000 0.000 0.197 338 K C 0.196 176.815 176.600 0.030 0.000 1.042 338 K CA 0.427 56.731 56.287 0.028 0.000 0.987 338 K CB -0.279 32.228 32.500 0.012 0.000 0.779 338 K HN 0.325 nan 8.250 nan 0.000 0.484 339 T N 2.071 116.649 114.554 0.041 0.000 2.867 339 T HA 0.005 4.355 4.350 -0.000 0.000 0.297 339 T C 0.923 175.655 174.700 0.054 0.000 0.989 339 T CA 0.452 62.579 62.100 0.045 0.000 1.159 339 T CB 0.880 69.782 68.868 0.057 0.000 0.928 339 T HN 0.199 nan 8.240 nan 0.000 0.538 340 E N 1.745 121.978 120.200 0.056 0.000 2.251 340 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 340 E C 0.815 177.465 176.600 0.082 0.000 0.964 340 E CA 0.204 56.647 56.400 0.072 0.000 0.868 340 E CB 0.550 30.291 29.700 0.069 0.000 0.828 340 E HN 0.554 nan 8.360 nan 0.000 0.481 341 Q N 0.229 120.082 119.800 0.088 0.000 2.285 341 Q HA 0.410 4.749 4.340 -0.000 0.000 0.269 341 Q C -0.588 175.510 176.000 0.163 0.000 1.030 341 Q CA -0.588 55.277 55.803 0.103 0.000 0.788 341 Q CB 1.825 30.636 28.738 0.121 0.000 1.266 341 Q HN 0.144 nan 8.270 nan 0.000 0.438 342 G N 3.153 112.020 108.800 0.113 0.000 2.531 342 G HA2 0.581 4.541 3.960 -0.000 0.000 0.253 342 G HA3 0.581 4.541 3.960 -0.000 0.000 0.253 342 G C -2.535 172.342 174.900 -0.038 0.000 1.439 342 G CA -0.872 44.323 45.100 0.159 0.000 1.056 342 G HN 0.553 nan 8.290 nan 0.000 0.555 343 P HA 0.243 nan 4.420 nan 0.000 0.281 343 P C -0.706 176.421 177.300 -0.289 0.000 1.264 343 P CA -0.567 62.040 63.100 -0.822 0.000 0.824 343 P CB 1.063 31.903 31.700 -1.434 0.000 1.092 344 Q N 0.063 119.795 119.800 -0.113 0.000 2.584 344 Q HA 0.015 4.354 4.340 -0.000 0.000 0.235 344 Q C 1.351 177.265 176.000 -0.144 0.000 1.079 344 Q CA -0.141 55.628 55.803 -0.056 0.000 0.977 344 Q CB -0.166 28.599 28.738 0.045 0.000 1.293 344 Q HN 0.220 nan 8.270 nan 0.000 0.553 345 V N 0.233 119.992 119.914 -0.258 0.000 2.427 345 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 345 V C 0.306 176.173 176.094 -0.378 0.000 1.051 345 V CA 2.557 64.626 62.300 -0.384 0.000 1.048 345 V CB -0.079 31.245 31.823 -0.831 0.000 0.666 345 V HN 0.967 nan 8.190 nan 0.000 0.456 346 D N -3.222 116.897 120.400 -0.469 0.000 2.759 346 D HA 0.119 4.758 4.640 -0.000 0.000 0.321 346 D C 0.706 176.439 176.300 -0.945 0.000 1.267 346 D CA -0.153 53.502 54.000 -0.574 0.000 0.933 346 D CB 0.603 41.123 40.800 -0.467 0.000 1.431 346 D HN -0.039 nan 8.370 nan 0.000 0.504 347 E N -0.755 118.688 120.200 -1.262 0.000 2.110 347 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 347 E C 1.176 177.565 176.600 -0.353 0.000 0.988 347 E CA 1.542 57.329 56.400 -1.021 0.000 0.804 347 E CB -0.011 29.334 29.700 -0.592 0.000 0.745 347 E HN 0.518 nan 8.360 nan 0.000 0.458 348 T N 1.021 115.398 114.554 -0.295 0.000 2.652 348 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 348 T C 1.765 176.402 174.700 -0.104 0.000 1.039 348 T CA 1.225 63.230 62.100 -0.159 0.000 1.153 348 T CB -0.142 68.636 68.868 -0.150 0.000 0.863 348 T HN 0.123 nan 8.240 nan 0.000 0.428 349 Q N 0.107 119.820 119.800 -0.146 0.000 2.084 349 Q HA 0.021 4.361 4.340 -0.000 0.000 0.202 349 Q C 2.004 178.015 176.000 0.018 0.000 0.978 349 Q CA 1.131 56.910 55.803 -0.040 0.000 0.844 349 Q CB -0.814 27.863 28.738 -0.101 0.000 0.898 349 Q HN 0.561 nan 8.270 nan 0.000 0.426 350 F N 2.007 121.854 119.950 -0.171 0.000 2.069 350 F HA -0.245 4.282 4.527 -0.001 0.000 0.298 350 F C 1.857 177.643 175.800 -0.024 0.000 1.113 350 F CA 1.742 59.695 58.000 -0.080 0.000 1.214 350 F CB 0.035 38.973 39.000 -0.102 0.000 0.978 350 F HN 0.042 nan 8.300 nan 0.000 0.474 351 K N -0.116 120.291 120.400 0.011 0.000 2.103 351 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 351 K C 2.103 178.648 176.600 -0.093 0.000 1.052 351 K CA 1.255 57.504 56.287 -0.065 0.000 0.945 351 K CB -0.311 32.193 32.500 0.007 0.000 0.722 351 K HN 0.211 nan 8.250 nan 0.000 0.443 352 K N 1.461 121.831 120.400 -0.050 0.000 2.063 352 K HA -0.107 4.212 4.320 -0.000 0.000 0.208 352 K C 2.028 178.646 176.600 0.030 0.000 1.048 352 K CA 1.252 57.522 56.287 -0.029 0.000 0.928 352 K CB -0.057 32.471 32.500 0.048 0.000 0.713 352 K HN 0.063 nan 8.250 nan 0.000 0.442 353 I N 0.796 121.400 120.570 0.056 0.000 2.286 353 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 353 I C 2.018 178.156 176.117 0.035 0.000 1.104 353 I CA 0.882 62.252 61.300 0.117 0.000 1.397 353 I CB -0.132 37.899 38.000 0.052 0.000 1.072 353 I HN 0.159 nan 8.210 nan 0.000 0.417 354 L N 0.397 121.544 121.223 -0.128 0.000 2.079 354 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 354 L C 2.596 179.433 176.870 -0.055 0.000 1.081 354 L CA 1.616 56.371 54.840 -0.142 0.000 0.752 354 L CB -1.137 40.758 42.059 -0.273 0.000 0.896 354 L HN 0.355 nan 8.230 nan 0.000 0.433 355 G N -1.527 107.225 108.800 -0.081 0.000 2.403 355 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 355 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 355 G C 1.396 176.244 174.900 -0.086 0.000 1.154 355 G CA 0.295 45.329 45.100 -0.111 0.000 0.784 355 G HN 0.293 nan 8.290 nan 0.000 0.538 356 Y N 0.549 120.844 120.300 -0.009 0.000 2.200 356 Y HA -0.017 4.533 4.550 -0.001 0.000 0.290 356 Y C 2.791 178.701 175.900 0.018 0.000 1.137 356 Y CA 0.618 58.717 58.100 -0.002 0.000 1.163 356 Y CB -0.008 38.459 38.460 0.012 0.000 0.988 356 Y HN 0.100 nan 8.280 nan 0.000 0.518 357 I N 0.116 120.830 120.570 0.240 0.000 2.208 357 I HA -0.384 3.786 4.170 -0.000 0.000 0.245 357 I C 2.418 178.683 176.117 0.247 0.000 1.097 357 I CA 1.624 63.107 61.300 0.306 0.000 1.363 357 I CB -0.540 37.596 38.000 0.226 0.000 1.051 357 I HN 0.394 nan 8.210 nan 0.000 0.413 358 N N 0.545 119.321 118.700 0.126 0.000 2.120 358 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 358 N C 1.738 177.280 175.510 0.053 0.000 1.024 358 N CA 2.022 55.123 53.050 0.085 0.000 0.852 358 N CB 0.065 38.571 38.487 0.032 0.000 1.003 358 N HN 0.292 nan 8.380 nan 0.000 0.424 359 T N -0.102 114.468 114.554 0.026 0.000 2.665 359 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 359 T C 1.816 176.478 174.700 -0.064 0.000 1.035 359 T CA 1.515 63.612 62.100 -0.006 0.000 1.151 359 T CB -0.916 67.966 68.868 0.025 0.000 0.862 359 T HN 0.462 nan 8.240 nan 0.000 0.438 360 G N 1.397 110.092 108.800 -0.175 0.000 2.446 360 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.217 360 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.217 360 G C 1.612 176.354 174.900 -0.263 0.000 1.168 360 G CA 1.044 45.843 45.100 -0.502 0.000 0.771 360 G HN 0.430 nan 8.290 nan 0.000 0.551 361 K N -0.192 120.218 120.400 0.017 0.000 2.044 361 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 361 K C 2.824 179.464 176.600 0.066 0.000 1.049 361 K CA 1.618 58.002 56.287 0.162 0.000 0.927 361 K CB -0.081 32.533 32.500 0.190 0.000 0.713 361 K HN 0.221 nan 8.250 nan 0.000 0.443 362 Q N 0.446 120.263 119.800 0.029 0.000 2.167 362 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 362 Q C 1.653 177.653 176.000 0.000 0.000 0.970 362 Q CA 1.211 57.023 55.803 0.015 0.000 0.855 362 Q CB -0.007 28.735 28.738 0.006 0.000 0.911 362 Q HN 0.461 nan 8.270 nan 0.000 0.438 363 E N -0.226 119.959 120.200 -0.025 0.000 2.418 363 E HA -0.004 4.345 4.350 -0.000 0.000 0.197 363 E C 0.520 177.108 176.600 -0.020 0.000 1.026 363 E CA 0.522 56.902 56.400 -0.033 0.000 0.862 363 E CB 0.112 29.771 29.700 -0.068 0.000 0.799 363 E HN 0.532 nan 8.360 nan 0.000 0.518 364 G N 0.970 109.769 108.800 -0.001 0.000 2.131 364 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.201 364 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.201 364 G C 0.145 175.070 174.900 0.042 0.000 1.000 364 G CA -0.005 45.111 45.100 0.027 0.000 0.680 364 G HN 0.415 nan 8.290 nan 0.000 0.514 365 A N 0.118 122.952 122.820 0.023 0.000 2.354 365 A HA 0.654 4.974 4.320 -0.000 0.000 0.269 365 A C 0.673 178.439 177.584 0.303 0.000 1.109 365 A CA 0.060 52.151 52.037 0.089 0.000 0.800 365 A CB 0.563 19.465 19.000 -0.164 0.000 1.045 365 A HN 0.460 nan 8.150 nan 0.000 0.489 366 K N 2.644 123.219 120.400 0.293 0.000 2.338 366 K HA 0.216 4.536 4.320 -0.000 0.000 0.290 366 K C -0.774 175.954 176.600 0.214 0.000 1.069 366 K CA -0.386 56.038 56.287 0.229 0.000 0.941 366 K CB 0.079 32.674 32.500 0.159 0.000 1.023 366 K HN 0.600 nan 8.250 nan 0.000 0.477 367 L N 5.927 127.210 121.223 0.100 0.000 2.410 367 L HA 0.080 4.419 4.340 -0.000 0.000 0.273 367 L C 0.364 177.168 176.870 -0.110 0.000 1.144 367 L CA 0.571 55.297 54.840 -0.190 0.000 0.863 367 L CB 0.627 42.575 42.059 -0.185 0.000 1.140 367 L HN 0.772 nan 8.230 nan 0.000 0.463 368 L N 4.520 125.654 121.223 -0.148 0.000 2.609 368 L HA 0.261 4.601 4.340 -0.000 0.000 0.230 368 L C 0.203 177.026 176.870 -0.077 0.000 1.064 368 L CA 0.162 54.959 54.840 -0.072 0.000 0.873 368 L CB 0.263 42.297 42.059 -0.041 0.000 1.139 368 L HN 0.825 nan 8.230 nan 0.000 0.490 369 C N -3.004 116.228 119.300 -0.112 0.000 3.292 369 C HA 0.733 5.192 4.460 -0.000 0.000 0.338 369 C C 0.815 175.753 174.990 -0.087 0.000 1.323 369 C CA -0.587 58.384 59.018 -0.077 0.000 1.232 369 C CB 0.785 28.494 27.740 -0.052 0.000 1.517 369 C HN 0.618 nan 8.230 nan 0.000 0.470 370 G N 0.766 109.537 108.800 -0.048 0.000 2.594 370 G HA2 0.326 4.286 3.960 -0.000 0.000 0.297 370 G HA3 0.326 4.286 3.960 -0.000 0.000 0.297 370 G C 1.314 176.185 174.900 -0.048 0.000 1.273 370 G CA 2.204 47.289 45.100 -0.025 0.000 0.974 370 G HN 3.387 nan 8.290 nan 0.000 0.552 371 G N -2.013 106.768 108.800 -0.031 0.000 2.134 371 G HA2 0.434 4.394 3.960 -0.000 0.000 0.209 371 G HA3 0.434 4.394 3.960 -0.000 0.000 0.209 371 G C 1.291 176.193 174.900 0.003 0.000 0.993 371 G CA 0.905 45.984 45.100 -0.035 0.000 0.669 371 G HN 2.501 nan 8.290 nan 0.000 0.519 372 G N -1.132 107.680 108.800 0.020 0.000 3.086 372 G HA2 0.715 4.675 3.960 -0.000 0.000 0.282 372 G HA3 0.715 4.675 3.960 -0.000 0.000 0.282 372 G C -0.335 174.609 174.900 0.073 0.000 1.343 372 G CA -0.867 44.254 45.100 0.035 0.000 0.895 372 G HN 0.625 nan 8.290 nan 0.000 0.557 373 I N 1.140 121.785 120.570 0.124 0.000 2.474 373 I HA 0.362 4.531 4.170 -0.000 0.000 0.287 373 I C 1.264 177.502 176.117 0.201 0.000 1.048 373 I CA -0.377 61.076 61.300 0.255 0.000 1.383 373 I CB 1.863 40.084 38.000 0.369 0.000 1.412 373 I HN 0.540 nan 8.210 nan 0.000 0.531 374 A N 4.856 127.823 122.820 0.245 0.000 2.267 374 A HA 0.674 4.993 4.320 -0.000 0.000 0.213 374 A C 0.751 178.378 177.584 0.071 0.000 1.192 374 A CA 0.434 52.560 52.037 0.148 0.000 0.851 374 A CB 0.121 19.227 19.000 0.177 0.000 0.881 374 A HN 0.806 nan 8.150 nan 0.000 0.494 375 A N -0.266 122.623 122.820 0.115 0.000 2.604 375 A HA 0.521 4.841 4.320 -0.000 0.000 0.295 375 A C -0.302 177.304 177.584 0.036 0.000 1.067 375 A CA 0.039 52.081 52.037 0.009 0.000 0.683 375 A CB 0.587 19.509 19.000 -0.130 0.000 1.281 375 A HN 0.109 nan 8.150 nan 0.000 0.407 376 D N 0.252 120.646 120.400 -0.009 0.000 2.347 376 D HA 0.011 4.650 4.640 -0.000 0.000 0.215 376 D C 0.598 176.868 176.300 -0.050 0.000 0.976 376 D CA 0.619 54.611 54.000 -0.013 0.000 0.884 376 D CB 0.378 41.168 40.800 -0.017 0.000 0.915 376 D HN 0.432 nan 8.370 nan 0.000 0.526 377 R N -0.110 120.356 120.500 -0.056 0.000 2.621 377 R HA 0.494 4.833 4.340 -0.000 0.000 0.292 377 R C 0.083 176.362 176.300 -0.035 0.000 0.969 377 R CA 0.135 56.184 56.100 -0.085 0.000 0.887 377 R CB 1.899 32.159 30.300 -0.066 0.000 1.180 377 R HN 0.145 nan 8.270 nan 0.000 0.450 378 G N 1.745 110.391 108.800 -0.257 0.000 2.760 378 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 378 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 378 G C -0.908 173.560 174.900 -0.721 0.000 1.359 378 G CA -0.501 44.343 45.100 -0.427 0.000 0.861 378 G HN 0.660 nan 8.290 nan 0.000 0.541 379 Y N -0.157 119.852 120.300 -0.485 0.000 2.813 379 Y HA 0.518 5.068 4.550 -0.000 0.000 0.378 379 Y C 0.682 176.421 175.900 -0.269 0.000 1.023 379 Y CA -0.747 56.959 58.100 -0.656 0.000 1.567 379 Y CB 0.075 38.268 38.460 -0.445 0.000 1.492 379 Y HN 0.338 nan 8.280 nan 0.000 0.533 380 F N 1.419 121.408 119.950 0.066 0.000 2.412 380 F HA 0.436 4.963 4.527 -0.000 0.000 0.348 380 F C 0.234 176.255 175.800 0.369 0.000 1.102 380 F CA -0.575 57.537 58.000 0.187 0.000 1.196 380 F CB 0.632 39.675 39.000 0.072 0.000 1.144 380 F HN 0.011 nan 8.300 nan 0.000 0.541 381 I N 2.278 123.106 120.570 0.431 0.000 2.608 381 I HA 0.217 4.386 4.170 -0.000 0.000 0.295 381 I C -0.571 175.675 176.117 0.214 0.000 1.049 381 I CA -1.001 60.476 61.300 0.294 0.000 1.063 381 I CB 2.073 40.176 38.000 0.172 0.000 1.248 381 I HN 0.517 nan 8.210 nan 0.000 0.424 382 Q N 6.143 126.037 119.800 0.156 0.000 2.330 382 Q HA 0.139 4.479 4.340 -0.000 0.000 0.279 382 Q C -2.250 173.832 176.000 0.138 0.000 1.024 382 Q CA -1.495 54.379 55.803 0.118 0.000 0.900 382 Q CB 0.093 28.874 28.738 0.071 0.000 1.221 382 Q HN 0.218 nan 8.270 nan 0.000 0.396 383 P HA -0.074 nan 4.420 nan 0.000 0.257 383 P C -1.019 176.409 177.300 0.215 0.000 1.189 383 P CA 0.585 63.840 63.100 0.259 0.000 0.780 383 P CB 0.389 32.072 31.700 -0.029 0.000 0.772 384 T N 3.162 117.874 114.554 0.265 0.000 2.823 384 T HA 0.458 4.807 4.350 -0.000 0.000 0.279 384 T C -0.248 174.501 174.700 0.083 0.000 0.998 384 T CA -0.429 61.714 62.100 0.072 0.000 0.994 384 T CB 1.052 69.917 68.868 -0.006 0.000 0.960 384 T HN -0.053 nan 8.240 nan 0.000 0.448 385 V N 3.870 123.749 119.914 -0.058 0.000 2.483 385 V HA 0.506 4.625 4.120 -0.000 0.000 0.297 385 V C -0.972 175.014 176.094 -0.181 0.000 1.027 385 V CA -0.891 61.401 62.300 -0.013 0.000 0.855 385 V CB 1.151 33.008 31.823 0.056 0.000 0.995 385 V HN 0.820 nan 8.190 nan 0.000 0.424 386 F N 2.463 122.441 119.950 0.047 0.000 2.436 386 F HA 0.777 5.304 4.527 -0.000 0.000 0.340 386 F C 0.936 176.766 175.800 0.051 0.000 1.113 386 F CA -0.145 57.880 58.000 0.040 0.000 1.022 386 F CB 2.057 41.070 39.000 0.022 0.000 1.128 386 F HN 0.599 nan 8.300 nan 0.000 0.466 387 G N 0.683 109.643 108.800 0.266 0.000 2.537 387 G HA2 0.359 4.319 3.960 -0.000 0.000 0.323 387 G HA3 0.359 4.319 3.960 -0.000 0.000 0.323 387 G C -0.632 174.413 174.900 0.242 0.000 1.207 387 G CA -0.708 44.529 45.100 0.228 0.000 0.976 387 G HN 0.684 nan 8.290 nan 0.000 0.487 388 D N -1.187 119.389 120.400 0.293 0.000 2.751 388 D HA -0.164 4.476 4.640 -0.000 0.000 0.233 388 D C 0.699 177.059 176.300 0.100 0.000 1.149 388 D CA 0.676 54.782 54.000 0.176 0.000 0.682 388 D CB -1.193 39.691 40.800 0.140 0.000 1.068 388 D HN 0.198 nan 8.370 nan 0.000 0.429 389 V N 0.724 120.692 119.914 0.090 0.000 2.811 389 V HA 0.004 4.124 4.120 -0.000 0.000 0.302 389 V C 0.867 176.957 176.094 -0.007 0.000 1.063 389 V CA 0.180 62.491 62.300 0.019 0.000 1.088 389 V CB 1.600 33.414 31.823 -0.014 0.000 0.982 389 V HN 0.053 nan 8.190 nan 0.000 0.485 390 Q N 2.098 121.889 119.800 -0.014 0.000 2.257 390 Q HA 0.351 4.691 4.340 -0.000 0.000 0.262 390 Q C 0.388 176.389 176.000 0.002 0.000 0.997 390 Q CA -0.801 55.003 55.803 0.003 0.000 0.873 390 Q CB 1.162 29.905 28.738 0.008 0.000 1.312 390 Q HN 0.633 nan 8.270 nan 0.000 0.450 391 D N 1.310 121.734 120.400 0.039 0.000 2.149 391 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 391 D C 1.503 177.823 176.300 0.033 0.000 0.990 391 D CA 1.738 55.774 54.000 0.060 0.000 0.839 391 D CB -0.047 40.815 40.800 0.103 0.000 0.948 391 D HN 0.817 nan 8.370 nan 0.000 0.460 392 G N -0.642 108.171 108.800 0.021 0.000 2.813 392 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.209 392 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.209 392 G C 0.616 175.515 174.900 -0.002 0.000 1.150 392 G CA -0.212 44.895 45.100 0.011 0.000 0.785 392 G HN 0.161 nan 8.290 nan 0.000 0.535 393 M N 0.656 120.248 119.600 -0.014 0.000 2.238 393 M HA 0.144 4.624 4.480 -0.000 0.000 0.347 393 M C 1.842 178.125 176.300 -0.029 0.000 1.173 393 M CA -0.078 55.202 55.300 -0.034 0.000 1.147 393 M CB 1.137 33.696 32.600 -0.067 0.000 1.547 393 M HN -0.058 nan 8.290 nan 0.000 0.455 394 T N 2.948 117.490 114.554 -0.019 0.000 2.759 394 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 394 T C 1.497 176.195 174.700 -0.002 0.000 1.042 394 T CA 1.707 63.816 62.100 0.015 0.000 1.140 394 T CB -0.510 68.389 68.868 0.052 0.000 0.864 394 T HN 0.751 nan 8.240 nan 0.000 0.455 395 I N -0.377 120.154 120.570 -0.065 0.000 2.756 395 I HA 0.161 4.331 4.170 -0.000 0.000 0.262 395 I C 2.266 178.313 176.117 -0.116 0.000 1.225 395 I CA 0.969 62.192 61.300 -0.129 0.000 1.472 395 I CB -0.363 37.486 38.000 -0.252 0.000 1.094 395 I HN 0.070 nan 8.210 nan 0.000 0.454 396 A N 0.818 123.592 122.820 -0.077 0.000 2.308 396 A HA 0.203 4.523 4.320 -0.000 0.000 0.217 396 A C 2.123 179.704 177.584 -0.005 0.000 1.216 396 A CA 0.121 52.127 52.037 -0.052 0.000 0.864 396 A CB -0.127 18.841 19.000 -0.052 0.000 0.902 396 A HN 0.420 nan 8.150 nan 0.000 0.499 397 K N -0.192 120.207 120.400 -0.001 0.000 2.306 397 K HA 0.149 4.468 4.320 -0.000 0.000 0.200 397 K C -0.171 176.460 176.600 0.051 0.000 1.083 397 K CA 0.397 56.699 56.287 0.025 0.000 0.959 397 K CB 0.479 32.987 32.500 0.013 0.000 0.994 397 K HN 0.426 nan 8.250 nan 0.000 0.492 398 E N 2.028 122.244 120.200 0.027 0.000 2.179 398 E HA 0.068 4.417 4.350 -0.000 0.000 0.275 398 E C -1.019 175.547 176.600 -0.056 0.000 0.945 398 E CA -0.436 55.999 56.400 0.059 0.000 0.792 398 E CB 1.815 31.583 29.700 0.114 0.000 1.125 398 E HN 0.112 nan 8.360 nan 0.000 0.397 399 E N 3.795 124.036 120.200 0.070 0.000 2.406 399 E HA -0.045 4.305 4.350 -0.000 0.000 0.258 399 E C -0.010 176.494 176.600 -0.159 0.000 1.043 399 E CA 0.106 56.500 56.400 -0.010 0.000 0.929 399 E CB 0.401 30.105 29.700 0.008 0.000 0.969 399 E HN 0.572 nan 8.360 nan 0.000 0.462 400 I N 4.114 124.540 120.570 -0.239 0.000 2.585 400 I HA -0.017 4.152 4.170 -0.000 0.000 0.254 400 I C 0.367 176.554 176.117 0.118 0.000 1.129 400 I CA -0.023 61.075 61.300 -0.337 0.000 1.455 400 I CB 0.076 37.839 38.000 -0.394 0.000 1.111 400 I HN 0.709 nan 8.210 nan 0.000 0.433 401 F N 1.350 121.248 119.950 -0.087 0.000 3.043 401 F HA -0.190 4.337 4.527 -0.000 0.000 0.290 401 F C 0.514 176.323 175.800 0.015 0.000 0.844 401 F CA 0.608 58.602 58.000 -0.010 0.000 1.184 401 F CB -1.450 37.591 39.000 0.070 0.000 1.246 401 F HN 0.140 nan 8.300 nan 0.000 0.536 402 G N -0.835 107.975 108.800 0.016 0.000 3.022 402 G HA2 0.677 4.637 3.960 -0.000 0.000 0.284 402 G HA3 0.677 4.637 3.960 -0.000 0.000 0.284 402 G C -2.835 171.994 174.900 -0.119 0.000 1.375 402 G CA -0.672 44.420 45.100 -0.013 0.000 0.902 402 G HN -0.150 nan 8.290 nan 0.000 0.538 403 P HA 0.278 nan 4.420 nan 0.000 0.218 403 P C -0.651 176.561 177.300 -0.146 0.000 1.793 403 P CA -0.104 62.929 63.100 -0.112 0.000 0.941 403 P CB 0.207 32.009 31.700 0.170 0.000 1.919 404 V N 2.275 122.041 119.914 -0.247 0.000 2.443 404 V HA 0.377 4.497 4.120 -0.000 0.000 0.293 404 V C 0.240 176.222 176.094 -0.186 0.000 1.021 404 V CA -0.723 61.518 62.300 -0.098 0.000 0.848 404 V CB 2.001 33.865 31.823 0.069 0.000 0.998 404 V HN 0.239 nan 8.190 nan 0.000 0.424 405 M N 4.199 123.724 119.600 -0.125 0.000 2.209 405 M HA 0.580 5.059 4.480 -0.000 0.000 0.355 405 M C -0.688 175.657 176.300 0.075 0.000 1.171 405 M CA -0.256 54.991 55.300 -0.088 0.000 1.069 405 M CB 1.359 33.967 32.600 0.013 0.000 1.622 405 M HN 0.626 nan 8.290 nan 0.000 0.459 406 Q N 5.250 125.064 119.800 0.024 0.000 2.314 406 Q HA 0.595 4.935 4.340 -0.000 0.000 0.259 406 Q C -1.332 174.671 176.000 0.006 0.000 0.951 406 Q CA 0.119 55.944 55.803 0.036 0.000 0.909 406 Q CB 1.517 30.228 28.738 -0.045 0.000 1.236 406 Q HN 0.706 nan 8.270 nan 0.000 0.444 407 I N 3.913 124.519 120.570 0.059 0.000 2.410 407 I HA 0.350 4.520 4.170 -0.000 0.000 0.286 407 I C -1.011 175.168 176.117 0.104 0.000 1.009 407 I CA -0.851 60.486 61.300 0.060 0.000 1.111 407 I CB 0.916 38.981 38.000 0.110 0.000 1.262 407 I HN 0.304 nan 8.210 nan 0.000 0.443 408 L N 6.150 127.354 121.223 -0.032 0.000 2.344 408 L HA 0.525 4.864 4.340 -0.000 0.000 0.272 408 L C 0.077 177.059 176.870 0.187 0.000 1.035 408 L CA -0.437 54.390 54.840 -0.022 0.000 0.807 408 L CB 1.071 42.910 42.059 -0.368 0.000 1.237 408 L HN 0.455 nan 8.230 nan 0.000 0.442 409 K N 1.608 122.075 120.400 0.111 0.000 2.159 409 K HA 0.642 4.962 4.320 -0.000 0.000 0.266 409 K C -1.313 175.437 176.600 0.250 0.000 0.975 409 K CA -0.467 55.843 56.287 0.038 0.000 0.865 409 K CB 1.234 33.443 32.500 -0.485 0.000 1.087 409 K HN 0.526 nan 8.250 nan 0.000 0.446 410 F N 0.773 120.780 119.950 0.096 0.000 2.675 410 F HA 0.483 5.010 4.527 -0.000 0.000 0.324 410 F C 0.286 176.116 175.800 0.049 0.000 1.106 410 F CA -0.893 57.166 58.000 0.098 0.000 0.970 410 F CB 1.516 40.610 39.000 0.156 0.000 1.385 410 F HN 0.470 nan 8.300 nan 0.000 0.489 411 K N -0.341 120.072 120.400 0.021 0.000 2.353 411 K HA 0.218 4.538 4.320 -0.000 0.000 0.206 411 K C 0.130 176.728 176.600 -0.003 0.000 1.191 411 K CA 0.905 57.124 56.287 -0.112 0.000 0.897 411 K CB 0.506 32.995 32.500 -0.019 0.000 1.283 411 K HN 0.900 nan 8.250 nan 0.000 0.477 412 T N -2.076 112.607 114.554 0.214 0.000 2.940 412 T HA 0.286 4.635 4.350 -0.000 0.000 0.288 412 T C 1.095 175.989 174.700 0.323 0.000 1.033 412 T CA -0.870 61.350 62.100 0.200 0.000 1.033 412 T CB 1.513 70.439 68.868 0.098 0.000 1.079 412 T HN 0.168 nan 8.240 nan 0.000 0.496 413 I N 0.419 121.113 120.570 0.207 0.000 2.315 413 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 413 I C 2.165 178.359 176.117 0.128 0.000 1.117 413 I CA 1.414 62.811 61.300 0.162 0.000 1.404 413 I CB -0.008 38.031 38.000 0.064 0.000 1.071 413 I HN 0.800 nan 8.210 nan 0.000 0.419 414 E N 0.546 120.799 120.200 0.088 0.000 2.106 414 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 414 E C 1.992 178.631 176.600 0.064 0.000 0.984 414 E CA 1.270 57.739 56.400 0.115 0.000 0.806 414 E CB -0.161 29.579 29.700 0.067 0.000 0.750 414 E HN 0.514 nan 8.360 nan 0.000 0.458 415 E N 0.597 120.831 120.200 0.056 0.000 2.047 415 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 415 E C 2.123 178.678 176.600 -0.075 0.000 0.987 415 E CA 1.059 57.477 56.400 0.031 0.000 0.799 415 E CB -0.014 29.745 29.700 0.097 0.000 0.752 415 E HN 0.192 nan 8.360 nan 0.000 0.449 416 V N 0.645 120.456 119.914 -0.172 0.000 2.515 416 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 416 V C 2.361 178.160 176.094 -0.493 0.000 1.058 416 V CA 1.275 63.225 62.300 -0.583 0.000 1.064 416 V CB 0.008 31.139 31.823 -1.152 0.000 0.675 416 V HN 0.204 nan 8.190 nan 0.000 0.461 417 V N 0.854 120.624 119.914 -0.240 0.000 2.287 417 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 417 V C 2.680 178.669 176.094 -0.176 0.000 1.053 417 V CA 2.320 64.511 62.300 -0.182 0.000 1.027 417 V CB -1.379 30.404 31.823 -0.067 0.000 0.646 417 V HN 0.643 nan 8.190 nan 0.000 0.447 418 G N -0.789 107.935 108.800 -0.126 0.000 2.422 418 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 418 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 418 G C 1.757 176.597 174.900 -0.100 0.000 1.140 418 G CA 0.485 45.534 45.100 -0.086 0.000 0.775 418 G HN 0.449 nan 8.290 nan 0.000 0.545 419 R N 0.148 120.541 120.500 -0.179 0.000 2.127 419 R HA 0.227 4.567 4.340 -0.000 0.000 0.217 419 R C 2.926 179.141 176.300 -0.142 0.000 1.074 419 R CA 0.853 56.873 56.100 -0.132 0.000 0.991 419 R CB -0.147 30.069 30.300 -0.140 0.000 0.895 419 R HN 0.318 nan 8.270 nan 0.000 0.450 420 A N 1.301 123.911 122.820 -0.350 0.000 1.929 420 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 420 A C 1.502 179.052 177.584 -0.056 0.000 1.176 420 A CA 1.119 53.042 52.037 -0.190 0.000 0.628 420 A CB -0.184 18.635 19.000 -0.302 0.000 0.816 420 A HN 0.173 nan 8.150 nan 0.000 0.444 421 N N 0.643 119.292 118.700 -0.084 0.000 2.521 421 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 421 N C 0.174 175.677 175.510 -0.011 0.000 1.146 421 N CA 0.200 53.225 53.050 -0.041 0.000 0.893 421 N CB -0.304 38.148 38.487 -0.059 0.000 0.975 421 N HN 0.335 nan 8.380 nan 0.000 0.451 422 N N 1.021 119.719 118.700 -0.003 0.000 2.968 422 N HA 0.060 4.800 4.740 -0.000 0.000 0.271 422 N C -1.204 174.325 175.510 0.032 0.000 1.174 422 N CA 0.217 53.275 53.050 0.014 0.000 1.096 422 N CB -0.101 38.398 38.487 0.020 0.000 1.403 422 N HN -0.055 nan 8.380 nan 0.000 0.522 423 S N 0.064 115.777 115.700 0.022 0.000 2.578 423 S HA 0.249 4.718 4.470 -0.000 0.000 0.272 423 S C 0.704 175.293 174.600 -0.020 0.000 1.145 423 S CA -0.473 57.736 58.200 0.015 0.000 0.835 423 S CB 0.547 63.791 63.200 0.073 0.000 1.104 423 S HN 0.247 nan 8.310 nan 0.000 0.458 424 T N 1.826 116.314 114.554 -0.109 0.000 3.023 424 T HA 0.183 4.533 4.350 -0.000 0.000 0.266 424 T C 0.106 174.736 174.700 -0.116 0.000 1.093 424 T CA 1.041 63.044 62.100 -0.162 0.000 1.129 424 T CB -0.330 68.365 68.868 -0.287 0.000 0.899 424 T HN 0.526 nan 8.240 nan 0.000 0.491 425 Y N -0.030 120.289 120.300 0.032 0.000 2.354 425 Y HA 0.540 5.090 4.550 -0.001 0.000 0.322 425 Y C 1.230 177.157 175.900 0.045 0.000 1.253 425 Y CA -0.963 57.160 58.100 0.038 0.000 1.272 425 Y CB 1.427 39.914 38.460 0.044 0.000 1.255 425 Y HN 0.020 nan 8.280 nan 0.000 0.500 426 G N 1.544 110.489 108.800 0.241 0.000 5.528 426 G HA2 0.097 4.057 3.960 -0.000 0.000 0.194 426 G HA3 0.097 4.057 3.960 -0.000 0.000 0.194 426 G C -0.198 174.730 174.900 0.047 0.000 0.679 426 G CA -0.228 44.948 45.100 0.126 0.000 0.640 426 G HN 0.542 nan 8.290 nan 0.000 0.397 427 L N 0.587 121.839 121.223 0.049 0.000 2.084 427 L HA 0.785 5.124 4.340 -0.000 0.000 0.202 427 L C 1.079 177.945 176.870 -0.007 0.000 1.074 427 L CA 2.114 56.958 54.840 0.007 0.000 0.757 427 L CB -0.095 41.986 42.059 0.037 0.000 0.918 427 L HN 0.399 nan 8.230 nan 0.000 0.444 428 A N -1.849 120.999 122.820 0.047 0.000 2.567 428 A HA 0.921 5.241 4.320 -0.000 0.000 0.289 428 A C -1.382 176.223 177.584 0.034 0.000 1.177 428 A CA -0.109 51.914 52.037 -0.024 0.000 0.694 428 A CB 0.993 20.095 19.000 0.171 0.000 1.292 428 A HN 0.634 nan 8.150 nan 0.000 0.425 429 A N -1.414 121.401 122.820 -0.009 0.000 2.586 429 A HA 0.959 5.278 4.320 -0.000 0.000 0.291 429 A C -0.741 176.929 177.584 0.143 0.000 1.062 429 A CA 0.131 52.226 52.037 0.097 0.000 0.666 429 A CB 0.470 19.459 19.000 -0.019 0.000 1.281 429 A HN 2.673 nan 8.150 nan 0.000 0.421 430 A N -0.270 122.708 122.820 0.262 0.000 2.572 430 A HA 0.819 5.139 4.320 -0.000 0.000 0.295 430 A C -1.516 176.218 177.584 0.250 0.000 1.072 430 A CA -0.476 51.740 52.037 0.299 0.000 0.691 430 A CB 1.579 20.938 19.000 0.599 0.000 1.291 430 A HN 1.847 nan 8.150 nan 0.000 0.404 431 V N 0.897 120.895 119.914 0.141 0.000 2.686 431 V HA 0.551 4.671 4.120 -0.000 0.000 0.306 431 V C -1.565 174.547 176.094 0.031 0.000 1.065 431 V CA -0.269 62.119 62.300 0.147 0.000 0.894 431 V CB 1.589 33.455 31.823 0.071 0.000 1.004 431 V HN 0.728 nan 8.190 nan 0.000 0.424 432 F N 2.720 122.777 119.950 0.179 0.000 2.402 432 F HA 0.784 5.311 4.527 -0.001 0.000 0.355 432 F C 0.352 176.263 175.800 0.185 0.000 1.123 432 F CA -0.110 58.012 58.000 0.204 0.000 1.021 432 F CB 2.063 41.195 39.000 0.220 0.000 1.160 432 F HN 0.549 nan 8.300 nan 0.000 0.451 433 T N 2.026 116.729 114.554 0.249 0.000 2.831 433 T HA 0.262 4.612 4.350 -0.000 0.000 0.333 433 T C -0.124 174.658 174.700 0.136 0.000 1.684 433 T CA -0.734 61.480 62.100 0.190 0.000 1.049 433 T CB 1.349 70.308 68.868 0.153 0.000 1.518 433 T HN 0.641 nan 8.240 nan 0.000 0.491 434 K N 0.599 121.068 120.400 0.116 0.000 2.353 434 K HA 0.224 4.544 4.320 -0.000 0.000 0.195 434 K C -0.246 176.391 176.600 0.061 0.000 1.031 434 K CA -0.182 56.153 56.287 0.080 0.000 1.079 434 K CB 0.338 32.882 32.500 0.075 0.000 0.857 434 K HN 0.476 nan 8.250 nan 0.000 0.535 435 D N 0.752 121.192 120.400 0.068 0.000 2.264 435 D HA 0.052 4.692 4.640 -0.000 0.000 0.250 435 D C 0.614 176.944 176.300 0.050 0.000 1.113 435 D CA -0.331 53.701 54.000 0.054 0.000 0.871 435 D CB 1.248 42.081 40.800 0.055 0.000 1.167 435 D HN -0.151 nan 8.370 nan 0.000 0.447 436 L N 3.523 124.770 121.223 0.039 0.000 2.095 436 L HA 0.059 4.399 4.340 -0.000 0.000 0.204 436 L C 1.183 178.079 176.870 0.044 0.000 1.080 436 L CA 1.635 56.496 54.840 0.035 0.000 0.759 436 L CB -0.332 41.743 42.059 0.026 0.000 0.914 436 L HN 0.446 nan 8.230 nan 0.000 0.439 437 D N -0.247 120.179 120.400 0.044 0.000 2.178 437 D HA -0.147 4.493 4.640 -0.000 0.000 0.202 437 D C 2.090 178.446 176.300 0.093 0.000 0.974 437 D CA 1.048 55.083 54.000 0.058 0.000 0.841 437 D CB -0.006 40.812 40.800 0.031 0.000 0.953 437 D HN 0.372 nan 8.370 nan 0.000 0.478 438 K N 0.512 120.959 120.400 0.078 0.000 2.025 438 K HA 0.001 4.321 4.320 -0.000 0.000 0.207 438 K C 2.135 178.815 176.600 0.135 0.000 1.049 438 K CA 1.065 57.419 56.287 0.111 0.000 0.933 438 K CB -0.075 32.480 32.500 0.091 0.000 0.714 438 K HN 0.031 nan 8.250 nan 0.000 0.438 439 A N 1.974 124.846 122.820 0.087 0.000 1.902 439 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 439 A C 1.835 179.446 177.584 0.045 0.000 1.181 439 A CA 1.802 53.872 52.037 0.055 0.000 0.623 439 A CB -0.522 18.497 19.000 0.030 0.000 0.818 439 A HN 0.224 nan 8.150 nan 0.000 0.443 440 N N -1.562 117.174 118.700 0.060 0.000 2.142 440 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 440 N C 1.544 177.093 175.510 0.066 0.000 1.023 440 N CA 1.551 54.630 53.050 0.047 0.000 0.852 440 N CB -0.632 37.886 38.487 0.051 0.000 0.998 440 N HN 0.635 nan 8.380 nan 0.000 0.424 441 Y N 1.326 121.618 120.300 -0.012 0.000 2.097 441 Y HA -0.125 4.425 4.550 -0.000 0.000 0.282 441 Y C 2.007 177.889 175.900 -0.029 0.000 1.152 441 Y CA 1.572 59.662 58.100 -0.016 0.000 1.136 441 Y CB -0.444 38.012 38.460 -0.007 0.000 0.975 441 Y HN 0.005 nan 8.280 nan 0.000 0.498 442 L N -0.329 120.891 121.223 -0.005 0.000 2.072 442 L HA -0.178 4.162 4.340 -0.000 0.000 0.205 442 L C 2.760 179.541 176.870 -0.149 0.000 1.079 442 L CA 1.419 56.191 54.840 -0.114 0.000 0.752 442 L CB -0.835 41.235 42.059 0.018 0.000 0.906 442 L HN 0.379 nan 8.230 nan 0.000 0.436 443 S N -0.889 114.753 115.700 -0.097 0.000 2.419 443 S HA -0.299 4.171 4.470 -0.000 0.000 0.235 443 S C 1.858 176.372 174.600 -0.143 0.000 1.019 443 S CA 1.556 59.686 58.200 -0.117 0.000 0.982 443 S CB -0.293 62.855 63.200 -0.086 0.000 0.789 443 S HN 0.546 nan 8.310 nan 0.000 0.490 444 Q N 0.763 120.474 119.800 -0.149 0.000 2.226 444 Q HA 0.267 4.607 4.340 -0.000 0.000 0.199 444 Q C 2.220 178.109 176.000 -0.185 0.000 0.945 444 Q CA 0.712 56.429 55.803 -0.144 0.000 0.861 444 Q CB -0.399 28.271 28.738 -0.113 0.000 0.953 444 Q HN 0.647 nan 8.270 nan 0.000 0.490 445 A N 0.822 123.469 122.820 -0.288 0.000 2.067 445 A HA 0.058 4.377 4.320 -0.000 0.000 0.219 445 A C 0.876 178.325 177.584 -0.225 0.000 1.158 445 A CA 0.273 52.122 52.037 -0.314 0.000 0.661 445 A CB -0.362 18.290 19.000 -0.580 0.000 0.801 445 A HN 0.362 nan 8.150 nan 0.000 0.452 446 L N 0.771 121.866 121.223 -0.213 0.000 2.361 446 L HA 0.091 4.431 4.340 -0.000 0.000 0.278 446 L C 0.263 177.012 176.870 -0.202 0.000 1.113 446 L CA -0.194 54.533 54.840 -0.189 0.000 0.849 446 L CB 0.719 42.667 42.059 -0.185 0.000 1.155 446 L HN 0.343 nan 8.230 nan 0.000 0.452 447 Q N 3.752 123.461 119.800 -0.152 0.000 3.184 447 Q HA 0.408 4.748 4.340 -0.000 0.000 0.288 447 Q C -0.281 175.502 176.000 -0.362 0.000 1.412 447 Q CA -0.274 55.462 55.803 -0.112 0.000 0.991 447 Q CB 0.421 29.193 28.738 0.057 0.000 1.688 447 Q HN 0.685 nan 8.270 nan 0.000 0.554 448 A N -0.745 121.608 122.820 -0.778 0.000 2.515 448 A HA 0.659 4.979 4.320 -0.000 0.000 0.298 448 A C 0.898 177.823 177.584 -1.097 0.000 1.059 448 A CA -0.441 51.127 52.037 -0.782 0.000 0.698 448 A CB 1.253 20.031 19.000 -0.370 0.000 1.289 448 A HN 0.482 nan 8.150 nan 0.000 0.404 449 G N 0.095 108.457 108.800 -0.730 0.000 2.432 449 G HA2 0.255 4.214 3.960 -0.000 0.000 0.219 449 G HA3 0.255 4.214 3.960 -0.000 0.000 0.219 449 G C 0.500 175.191 174.900 -0.348 0.000 1.135 449 G CA 1.656 46.524 45.100 -0.386 0.000 0.767 449 G HN 0.814 nan 8.290 nan 0.000 0.550 450 T N -0.041 114.266 114.554 -0.411 0.000 2.881 450 T HA 0.502 4.852 4.350 -0.000 0.000 0.291 450 T C -1.005 173.252 174.700 -0.738 0.000 0.990 450 T CA -0.420 61.318 62.100 -0.603 0.000 0.976 450 T CB 2.600 71.014 68.868 -0.756 0.000 0.970 450 T HN -0.081 nan 8.240 nan 0.000 0.438 451 V N 3.884 123.398 119.914 -0.667 0.000 2.384 451 V HA 0.454 4.574 4.120 -0.000 0.000 0.287 451 V C -0.596 175.181 176.094 -0.528 0.000 1.020 451 V CA -1.011 60.992 62.300 -0.495 0.000 0.850 451 V CB 1.302 32.945 31.823 -0.301 0.000 0.987 451 V HN 0.766 nan 8.190 nan 0.000 0.436 452 W N 3.522 124.667 121.300 -0.258 0.000 2.417 452 W HA 0.584 5.243 4.660 -0.000 0.000 0.317 452 W C -0.623 175.757 176.519 -0.232 0.000 1.121 452 W CA -0.658 56.525 57.345 -0.270 0.000 1.208 452 W CB 1.976 31.210 29.460 -0.376 0.000 1.253 452 W HN 0.283 nan 8.180 nan 0.000 0.533 453 V N 5.129 125.042 119.914 -0.000 0.000 2.313 453 V HA 0.100 4.220 4.120 -0.000 0.000 0.278 453 V C 0.095 176.072 176.094 -0.195 0.000 1.017 453 V CA -0.808 61.426 62.300 -0.110 0.000 0.823 453 V CB 0.674 32.460 31.823 -0.063 0.000 1.010 453 V HN 0.664 nan 8.190 nan 0.000 0.443 454 N N 2.332 120.680 118.700 -0.587 0.000 2.754 454 N HA -0.166 4.574 4.740 -0.000 0.000 0.248 454 N C -0.323 175.122 175.510 -0.110 0.000 1.093 454 N CA 1.204 53.874 53.050 -0.634 0.000 0.699 454 N CB -1.174 37.288 38.487 -0.041 0.000 1.016 454 N HN 1.067 nan 8.380 nan 0.000 0.552 455 C N -4.263 114.890 119.300 -0.246 0.000 3.259 455 C HA 0.778 5.237 4.460 -0.000 0.000 0.344 455 C C -1.065 173.965 174.990 0.067 0.000 1.401 455 C CA -1.434 57.674 59.018 0.150 0.000 1.219 455 C CB 1.645 29.472 27.740 0.145 0.000 1.521 455 C HN 0.262 nan 8.230 nan 0.000 0.455 456 Y N -0.069 120.070 120.300 -0.268 0.000 2.571 456 Y HA 0.489 5.038 4.550 -0.001 0.000 0.341 456 Y C -0.123 175.061 175.900 -1.193 0.000 1.076 456 Y CA 0.390 57.984 58.100 -0.843 0.000 1.029 456 Y CB 1.436 39.657 38.460 -0.399 0.000 1.308 456 Y HN 1.012 nan 8.280 nan 0.000 0.461 457 D N 1.832 120.922 120.400 -2.183 0.000 2.772 457 D HA -0.143 4.497 4.640 -0.000 0.000 0.233 457 D C -0.992 174.773 176.300 -0.893 0.000 1.143 457 D CA 0.848 54.083 54.000 -1.274 0.000 0.700 457 D CB -1.068 39.434 40.800 -0.497 0.000 1.076 457 D HN 0.143 nan 8.370 nan 0.000 0.430 458 V N 1.416 120.759 119.914 -0.952 0.000 2.339 458 V HA 0.293 4.413 4.120 -0.000 0.000 0.261 458 V C 0.454 176.438 176.094 -0.184 0.000 1.058 458 V CA -0.216 61.933 62.300 -0.251 0.000 0.897 458 V CB -0.031 31.776 31.823 -0.027 0.000 1.052 458 V HN -0.010 nan 8.190 nan 0.000 0.480 459 F N 2.545 122.565 119.950 0.116 0.000 2.443 459 F HA 0.771 5.298 4.527 -0.000 0.000 0.335 459 F C 0.836 176.664 175.800 0.046 0.000 1.104 459 F CA -0.551 57.498 58.000 0.083 0.000 1.013 459 F CB 1.935 40.977 39.000 0.070 0.000 1.136 459 F HN 0.486 nan 8.300 nan 0.000 0.470 460 G N 0.403 109.298 108.800 0.159 0.000 2.495 460 G HA2 0.518 4.478 3.960 -0.000 0.000 0.318 460 G HA3 0.518 4.478 3.960 -0.000 0.000 0.318 460 G C 0.341 175.192 174.900 -0.081 0.000 1.257 460 G CA -0.433 44.687 45.100 0.033 0.000 0.962 460 G HN 0.888 nan 8.290 nan 0.000 0.483 461 A N 1.524 124.232 122.820 -0.187 0.000 1.978 461 A HA -0.120 4.199 4.320 -0.000 0.000 0.220 461 A C 2.166 179.143 177.584 -1.012 0.000 1.170 461 A CA 2.032 53.798 52.037 -0.451 0.000 0.636 461 A CB -0.160 18.594 19.000 -0.410 0.000 0.810 461 A HN 0.654 nan 8.150 nan 0.000 0.448 462 Q N -0.660 118.602 119.800 -0.896 0.000 2.425 462 Q HA 0.177 4.517 4.340 -0.000 0.000 0.204 462 Q C 0.107 176.012 176.000 -0.159 0.000 0.933 462 Q CA 0.522 55.931 55.803 -0.656 0.000 0.939 462 Q CB -0.317 28.280 28.738 -0.235 0.000 1.044 462 Q HN 0.348 nan 8.270 nan 0.000 0.513 463 S N 3.649 119.271 115.700 -0.130 0.000 2.442 463 S HA 0.455 4.925 4.470 -0.000 0.000 0.297 463 S C -2.421 172.189 174.600 0.015 0.000 1.131 463 S CA -1.411 56.783 58.200 -0.011 0.000 1.092 463 S CB 1.348 64.543 63.200 -0.009 0.000 0.998 463 S HN 0.152 nan 8.310 nan 0.000 0.478 464 P HA 0.227 nan 4.420 nan 0.000 0.272 464 P C -0.948 176.409 177.300 0.095 0.000 1.230 464 P CA -0.356 62.791 63.100 0.078 0.000 0.788 464 P CB 0.358 32.108 31.700 0.083 0.000 0.949 465 F N 1.405 121.277 119.950 -0.131 0.000 2.810 465 F HA 0.606 5.133 4.527 -0.000 0.000 0.373 465 F C -0.558 175.189 175.800 -0.088 0.000 1.174 465 F CA -0.686 57.258 58.000 -0.094 0.000 1.141 465 F CB 0.685 39.631 39.000 -0.089 0.000 1.420 465 F HN 0.374 nan 8.300 nan 0.000 0.518 466 G N 1.621 110.291 108.800 -0.217 0.000 2.533 466 G HA2 0.616 4.576 3.960 -0.000 0.000 0.304 466 G HA3 0.616 4.576 3.960 -0.000 0.000 0.304 466 G C -1.025 173.746 174.900 -0.214 0.000 1.263 466 G CA -0.785 44.152 45.100 -0.271 0.000 0.964 466 G HN 0.877 nan 8.290 nan 0.000 0.479 467 G N -0.871 107.836 108.800 -0.156 0.000 2.453 467 G HA2 0.556 4.516 3.960 -0.000 0.000 0.323 467 G HA3 0.556 4.516 3.960 -0.000 0.000 0.323 467 G C -1.347 173.653 174.900 0.168 0.000 1.198 467 G CA -0.482 44.599 45.100 -0.030 0.000 0.959 467 G HN 0.356 nan 8.290 nan 0.000 0.482 468 Y N 0.768 121.022 120.300 -0.077 0.000 2.392 468 Y HA 0.394 4.944 4.550 -0.000 0.000 0.323 468 Y C 1.603 177.493 175.900 -0.017 0.000 1.291 468 Y CA -0.946 57.121 58.100 -0.055 0.000 1.345 468 Y CB 1.086 39.514 38.460 -0.053 0.000 1.320 468 Y HN 0.839 nan 8.280 nan 0.000 0.518 469 K N -0.408 120.039 120.400 0.079 0.000 1.888 469 K HA -0.332 3.987 4.320 -0.000 0.000 0.114 469 K C 0.667 177.295 176.600 0.047 0.000 1.252 469 K CA 2.049 58.360 56.287 0.039 0.000 0.446 469 K CB -1.025 31.514 32.500 0.066 0.000 0.566 469 K HN 0.636 nan 8.250 nan 0.000 0.937 470 M N 1.139 120.778 119.600 0.065 0.000 2.608 470 M HA 0.028 4.508 4.480 -0.000 0.000 0.224 470 M C 0.576 177.024 176.300 0.246 0.000 1.204 470 M CA 0.458 55.804 55.300 0.077 0.000 0.984 470 M CB 0.165 32.741 32.600 -0.039 0.000 1.691 470 M HN 0.290 nan 8.290 nan 0.000 0.469 471 S N 0.292 116.132 115.700 0.233 0.000 2.577 471 S HA 0.381 4.851 4.470 -0.000 0.000 0.219 471 S C 0.745 175.363 174.600 0.030 0.000 0.962 471 S CA 0.345 58.661 58.200 0.194 0.000 0.921 471 S CB 0.279 63.558 63.200 0.131 0.000 0.789 471 S HN 0.797 nan 8.310 nan 0.000 0.497 472 G N 0.938 109.755 108.800 0.028 0.000 2.343 472 G HA2 0.057 4.017 3.960 -0.000 0.000 0.562 472 G HA3 0.057 4.017 3.960 -0.000 0.000 0.562 472 G C -0.754 174.117 174.900 -0.048 0.000 1.269 472 G CA -0.493 44.587 45.100 -0.033 0.000 1.011 472 G HN 0.545 nan 8.290 nan 0.000 0.498 473 S N -1.025 114.632 115.700 -0.072 0.000 2.745 473 S HA 1.009 5.479 4.470 -0.000 0.000 0.306 473 S C 0.803 175.339 174.600 -0.107 0.000 1.137 473 S CA 0.456 58.606 58.200 -0.082 0.000 0.900 473 S CB 1.236 64.396 63.200 -0.066 0.000 1.176 473 S HN 2.913 nan 8.310 nan 0.000 0.520 474 G N 0.544 109.278 108.800 -0.109 0.000 2.806 474 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.236 474 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.236 474 G C -1.256 173.567 174.900 -0.128 0.000 1.387 474 G CA -0.088 44.943 45.100 -0.116 0.000 0.884 474 G HN 0.916 nan 8.290 nan 0.000 0.560 475 Q N -0.468 119.265 119.800 -0.111 0.000 2.484 475 Q HA 0.760 5.100 4.340 -0.000 0.000 0.285 475 Q C -0.492 175.462 176.000 -0.076 0.000 1.097 475 Q CA -0.753 54.981 55.803 -0.114 0.000 0.802 475 Q CB 2.379 31.050 28.738 -0.112 0.000 1.444 475 Q HN 0.720 nan 8.270 nan 0.000 0.429 476 E N 0.616 120.762 120.200 -0.089 0.000 2.312 476 E HA 0.710 5.060 4.350 -0.000 0.000 0.267 476 E C -1.101 175.439 176.600 -0.099 0.000 0.894 476 E CA -0.783 55.551 56.400 -0.110 0.000 0.773 476 E CB 1.728 31.290 29.700 -0.231 0.000 1.241 476 E HN 0.481 nan 8.360 nan 0.000 0.432 477 L N 0.469 121.668 121.223 -0.040 0.000 0.587 477 L HA -0.271 4.069 4.340 -0.000 0.000 0.356 477 L C 0.800 177.757 176.870 0.145 0.000 0.981 477 L CA 0.941 55.808 54.840 0.044 0.000 1.223 477 L CB -1.167 40.751 42.059 -0.235 0.000 0.020 477 L HN 0.987 nan 8.230 nan 0.000 0.091 478 G N 0.062 108.916 108.800 0.089 0.000 2.562 478 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.250 478 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.250 478 G C 0.321 175.380 174.900 0.264 0.000 1.269 478 G CA 0.953 46.188 45.100 0.226 0.000 0.919 478 G HN 1.130 nan 8.290 nan 0.000 0.574 479 E N -0.951 119.305 120.200 0.094 0.000 2.250 479 E HA 0.112 4.461 4.350 -0.000 0.000 0.192 479 E C 2.135 178.519 176.600 -0.359 0.000 0.986 479 E CA 0.766 56.991 56.400 -0.292 0.000 0.849 479 E CB -0.007 29.574 29.700 -0.198 0.000 0.797 479 E HN 0.625 nan 8.360 nan 0.000 0.482 480 Y N -0.267 120.006 120.300 -0.045 0.000 2.421 480 Y HA 0.005 4.555 4.550 -0.001 0.000 0.292 480 Y C 2.345 178.193 175.900 -0.086 0.000 1.136 480 Y CA 0.875 58.942 58.100 -0.055 0.000 1.255 480 Y CB -0.364 38.082 38.460 -0.023 0.000 0.991 480 Y HN 0.155 nan 8.280 nan 0.000 0.552 481 G N 0.166 109.019 108.800 0.088 0.000 2.422 481 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 481 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 481 G C 1.481 176.363 174.900 -0.030 0.000 1.140 481 G CA 0.784 45.929 45.100 0.075 0.000 0.775 481 G HN 0.398 nan 8.290 nan 0.000 0.545 482 L N -0.280 120.798 121.223 -0.242 0.000 2.395 482 L HA 0.043 4.383 4.340 -0.000 0.000 0.218 482 L C 2.909 179.537 176.870 -0.403 0.000 1.130 482 L CA 0.366 54.925 54.840 -0.467 0.000 0.826 482 L CB -0.289 41.097 42.059 -1.121 0.000 0.941 482 L HN 0.233 nan 8.230 nan 0.000 0.451 483 Q N 0.369 120.013 119.800 -0.260 0.000 2.084 483 Q HA -0.160 4.179 4.340 -0.000 0.000 0.202 483 Q C 2.435 178.369 176.000 -0.111 0.000 0.978 483 Q CA 1.656 57.397 55.803 -0.104 0.000 0.844 483 Q CB -0.165 28.566 28.738 -0.011 0.000 0.898 483 Q HN 0.577 nan 8.270 nan 0.000 0.426 484 A N -0.470 122.249 122.820 -0.168 0.000 2.119 484 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 484 A C 0.880 178.215 177.584 -0.416 0.000 1.153 484 A CA 0.788 52.641 52.037 -0.306 0.000 0.692 484 A CB -0.240 18.506 19.000 -0.423 0.000 0.799 484 A HN 0.397 nan 8.150 nan 0.000 0.458 485 Y N -0.347 119.892 120.300 -0.102 0.000 2.607 485 Y HA 0.235 4.785 4.550 -0.001 0.000 0.266 485 Y C 0.372 176.245 175.900 -0.045 0.000 1.178 485 Y CA -0.048 58.005 58.100 -0.078 0.000 1.226 485 Y CB 0.517 38.922 38.460 -0.093 0.000 1.144 485 Y HN 0.051 nan 8.280 nan 0.000 0.528 486 T N 0.228 114.805 114.554 0.038 0.000 2.863 486 T HA 0.326 4.675 4.350 -0.000 0.000 0.285 486 T C -0.926 173.785 174.700 0.018 0.000 1.009 486 T CA -0.636 61.498 62.100 0.057 0.000 0.989 486 T CB 1.730 70.636 68.868 0.063 0.000 1.004 486 T HN -0.081 nan 8.240 nan 0.000 0.455 487 E N 1.821 122.056 120.200 0.058 0.000 2.156 487 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 487 E C -1.062 175.571 176.600 0.055 0.000 0.965 487 E CA -0.499 55.930 56.400 0.048 0.000 0.789 487 E CB 1.040 30.788 29.700 0.080 0.000 1.098 487 E HN 0.294 nan 8.360 nan 0.000 0.397 488 V N 5.361 125.292 119.914 0.028 0.000 2.364 488 V HA 0.294 4.414 4.120 -0.000 0.000 0.272 488 V C 0.099 176.224 176.094 0.050 0.000 1.036 488 V CA -0.573 61.764 62.300 0.062 0.000 0.880 488 V CB 1.033 32.875 31.823 0.032 0.000 0.991 488 V HN 0.516 nan 8.190 nan 0.000 0.460 489 K N 3.483 123.923 120.400 0.065 0.000 2.307 489 K HA 0.492 4.812 4.320 -0.000 0.000 0.263 489 K C -0.543 176.028 176.600 -0.049 0.000 0.973 489 K CA -0.339 55.954 56.287 0.010 0.000 0.846 489 K CB 1.331 33.844 32.500 0.022 0.000 1.100 489 K HN 0.657 nan 8.250 nan 0.000 0.438 490 T N 3.340 117.835 114.554 -0.099 0.000 2.744 490 T HA 0.274 4.624 4.350 -0.000 0.000 0.291 490 T C -0.709 173.817 174.700 -0.291 0.000 0.957 490 T CA -0.523 61.467 62.100 -0.184 0.000 1.002 490 T CB 1.066 69.849 68.868 -0.141 0.000 0.919 490 T HN 0.309 nan 8.240 nan 0.000 0.468 491 V N 4.291 123.877 119.914 -0.546 0.000 2.378 491 V HA 0.444 4.564 4.120 -0.000 0.000 0.288 491 V C 0.161 175.873 176.094 -0.637 0.000 1.016 491 V CA -0.740 61.172 62.300 -0.646 0.000 0.840 491 V CB 1.629 32.875 31.823 -0.961 0.000 0.994 491 V HN 0.923 nan 8.190 nan 0.000 0.431 492 T N 4.651 118.999 114.554 -0.343 0.000 2.809 492 T HA 0.514 4.864 4.350 -0.000 0.000 0.296 492 T C -0.292 174.378 174.700 -0.051 0.000 1.015 492 T CA -0.325 61.642 62.100 -0.221 0.000 0.954 492 T CB 1.395 70.138 68.868 -0.210 0.000 0.950 492 T HN 0.332 nan 8.240 nan 0.000 0.450 493 V N 4.066 124.016 119.914 0.059 0.000 2.427 493 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 493 V C 0.527 176.814 176.094 0.321 0.000 1.034 493 V CA -1.057 61.359 62.300 0.193 0.000 0.893 493 V CB 1.602 33.579 31.823 0.257 0.000 0.982 493 V HN 0.711 nan 8.190 nan 0.000 0.452 494 K N 3.946 124.513 120.400 0.278 0.000 2.379 494 K HA 0.421 4.741 4.320 -0.000 0.000 0.284 494 K C -0.490 176.136 176.600 0.043 0.000 1.044 494 K CA -0.182 56.188 56.287 0.138 0.000 0.974 494 K CB 0.825 33.391 32.500 0.109 0.000 0.962 494 K HN 0.676 nan 8.250 nan 0.000 0.474 495 V N 2.248 122.128 119.914 -0.057 0.000 2.960 495 V HA 0.425 4.545 4.120 -0.000 0.000 0.315 495 V C -2.090 173.950 176.094 -0.089 0.000 1.087 495 V CA -1.956 60.327 62.300 -0.028 0.000 0.982 495 V CB 1.312 33.145 31.823 0.017 0.000 1.039 495 V HN 0.644 nan 8.190 nan 0.000 0.437 496 P HA -0.098 nan 4.420 nan 0.000 0.213 496 P C 0.051 177.303 177.300 -0.080 0.000 1.170 496 P CA 1.352 64.414 63.100 -0.063 0.000 0.902 496 P CB 0.133 31.807 31.700 -0.043 0.000 0.789 497 Q N -1.091 118.668 119.800 -0.068 0.000 2.296 497 Q HA 0.209 4.549 4.340 -0.000 0.000 0.254 497 Q C -1.001 174.968 176.000 -0.051 0.000 0.936 497 Q CA -0.750 55.014 55.803 -0.065 0.000 0.834 497 Q CB 1.391 30.100 28.738 -0.049 0.000 1.340 497 Q HN -0.154 nan 8.270 nan 0.000 0.428 498 K N 3.578 123.949 120.400 -0.048 0.000 2.270 498 K HA 0.305 4.625 4.320 -0.000 0.000 0.276 498 K C -0.934 175.659 176.600 -0.012 0.000 1.023 498 K CA -0.004 56.273 56.287 -0.017 0.000 0.955 498 K CB 0.692 33.198 32.500 0.010 0.000 0.975 498 K HN 0.654 nan 8.250 nan 0.000 0.471 499 N N 1.056 119.751 118.700 -0.008 0.000 2.284 499 N HA 0.111 4.851 4.740 -0.000 0.000 0.289 499 N C -0.794 174.716 175.510 -0.000 0.000 1.179 499 N CA -0.527 52.519 53.050 -0.008 0.000 0.774 499 N CB 1.978 40.455 38.487 -0.018 0.000 1.548 499 N HN 0.747 nan 8.380 nan 0.000 0.473 500 S N 0.000 115.701 115.700 0.002 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.203 58.200 0.005 0.000 1.107 500 S CB 0.000 63.203 63.200 0.005 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517