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 1mmo_1_E DATA FIRST_RESID 15 DATA SEQUENCE AANRAPTSVN AQEVHRWLQS FNWDFKNNRT KYATKYKMAN ETKEQFKLIA DATA SEQUENCE KEYARMEAVK DERQFGSLQV ALTRLNAGVR VHPKWNETMK VVSNFLEVGE DATA SEQUENCE YNAIAATGML WDSAQAAEQK NGYLAQVLDE IRHTHQCAYV NYYFAKNGQD DATA SEQUENCE PAGHNDARRT RTIGPLWKGM KRVFSDGFIS GDAVECSLNL QLVGEACFTN DATA SEQUENCE PLIVAVTEWA AANGDEITPT VFLSIETDEL RHMANGYQTV VSIANDPASA DATA SEQUENCE KYLNTDLNNA FWTQQKYFTP VLGMLFEYGS KFKVEPWVKT WDRWVYEDWG DATA SEQUENCE GIWIGRLGKY GVESPRSLKD AKQDAYWAHH DLYLLAYALW PTGFFRLALP DATA SEQUENCE DQEEMEWFEA NYPGWYDHYG KIYEEWRARG CEDPSSGFIP LMWFIENNHP DATA SEQUENCE IYIDRVSQVP FCPSLAKGAS TLRVHEYNGE MHTFSDQWGE RMWLAEPERY DATA SEQUENCE ECQNIFEQYE GRELSEVIAE LHGLRSDGKT LIAQPHVRGD KLWTLDDIKR DATA SEQUENCE LNCVFKNPVK AF 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.587 177.584 0.005 0.000 1.274 15 A CA 0.000 52.040 52.037 0.005 0.000 0.836 15 A CB 0.000 19.003 19.000 0.006 0.000 0.831 16 A N 1.129 123.952 122.820 0.005 0.000 2.544 16 A HA 0.039 nan 4.320 nan 0.000 0.301 16 A C -0.182 177.405 177.584 0.006 0.000 1.368 16 A CA 0.376 52.416 52.037 0.005 0.000 1.045 16 A CB -1.711 17.292 19.000 0.005 0.000 1.129 16 A HN 0.018 8.171 8.150 0.005 0.000 0.540 17 N N 1.945 120.648 118.700 0.006 0.000 2.126 17 N HA -0.349 nan 4.740 nan 0.000 0.153 17 N C -1.719 173.795 175.510 0.008 0.000 0.867 17 N CA 1.268 54.323 53.050 0.007 0.000 0.900 17 N CB -0.106 38.386 38.487 0.008 0.000 0.957 17 N HN 0.079 8.458 8.380 0.006 0.005 0.636 18 R N -0.906 119.599 120.500 0.009 0.000 2.846 18 R HA 0.220 nan 4.340 nan 0.000 0.263 18 R C -1.720 174.586 176.300 0.010 0.000 1.080 18 R CA -0.597 55.508 56.100 0.009 0.000 0.961 18 R CB 1.734 32.039 30.300 0.009 0.000 1.231 18 R HN 0.254 8.530 8.270 0.010 0.000 0.465 19 A N 0.939 123.766 122.820 0.010 0.000 2.396 19 A HA 0.405 nan 4.320 nan 0.000 0.279 19 A C -2.076 175.516 177.584 0.014 0.000 1.165 19 A CA -0.416 51.628 52.037 0.012 0.000 0.824 19 A CB -0.703 18.304 19.000 0.011 0.000 1.100 19 A HN 0.227 8.383 8.150 0.010 0.000 0.516 20 P HA 0.821 nan 4.420 nan 0.000 0.290 20 P C -1.146 176.167 177.300 0.022 0.000 1.302 20 P CA -0.320 62.792 63.100 0.020 0.000 0.893 20 P CB 2.327 34.040 31.700 0.022 0.000 1.272 21 T N -2.207 112.363 114.554 0.026 0.000 2.787 21 T HA 0.269 nan 4.350 nan 0.000 0.297 21 T C -0.855 173.867 174.700 0.037 0.000 1.221 21 T CA -0.288 61.830 62.100 0.030 0.000 1.006 21 T CB 2.606 71.491 68.868 0.028 0.000 1.328 21 T HN 0.231 8.487 8.240 0.026 0.000 0.509 22 S N -0.539 115.188 115.700 0.044 0.000 2.641 22 S HA -0.042 nan 4.470 nan 0.000 0.239 22 S C 1.810 176.443 174.600 0.055 0.000 1.081 22 S CA 0.105 58.339 58.200 0.056 0.000 0.904 22 S CB 0.475 63.717 63.200 0.069 0.000 0.803 22 S HN 0.101 8.437 8.310 0.043 0.000 0.510 23 V N -1.076 118.869 119.914 0.051 0.000 2.477 23 V HA -0.401 nan 4.120 nan 0.000 0.221 23 V C 0.240 176.365 176.094 0.053 0.000 1.048 23 V CA 2.023 64.353 62.300 0.050 0.000 1.076 23 V CB -2.101 29.745 31.823 0.038 0.000 1.004 23 V HN 0.052 8.271 8.190 0.049 0.000 0.476 24 N N 1.491 120.217 118.700 0.044 0.000 2.068 24 N HA -0.213 nan 4.740 nan 0.000 0.290 24 N C 1.003 176.545 175.510 0.053 0.000 1.372 24 N CA -0.432 52.641 53.050 0.039 0.000 0.863 24 N CB 0.211 38.717 38.487 0.031 0.000 1.174 24 N HN -0.234 8.139 8.380 0.039 0.031 0.494 25 A N 5.106 127.956 122.820 0.050 0.000 2.009 25 A HA -0.365 nan 4.320 nan 0.000 0.222 25 A C 1.796 179.423 177.584 0.072 0.000 1.175 25 A CA 2.852 54.926 52.037 0.063 0.000 0.651 25 A CB -0.456 18.569 19.000 0.043 0.000 0.815 25 A HN 0.647 8.821 8.150 0.041 0.000 0.459 26 Q N -0.925 118.900 119.800 0.042 0.000 2.084 26 Q HA -0.301 nan 4.340 nan 0.000 0.202 26 Q C 2.430 178.466 176.000 0.060 0.000 0.978 26 Q CA 3.043 58.869 55.803 0.038 0.000 0.844 26 Q CB -0.611 28.126 28.738 -0.000 0.000 0.898 26 Q HN -0.255 8.092 8.270 0.028 -0.060 0.426 27 E N -1.000 119.238 120.200 0.063 0.000 2.153 27 E HA -0.332 nan 4.350 nan 0.000 0.194 27 E C 2.571 179.256 176.600 0.141 0.000 0.988 27 E CA 2.747 59.198 56.400 0.084 0.000 0.811 27 E CB -0.082 29.674 29.700 0.094 0.000 0.746 27 E HN -0.228 8.451 8.360 0.059 -0.283 0.466 28 V N -2.065 117.937 119.914 0.147 0.000 2.535 28 V HA -0.262 nan 4.120 nan 0.000 0.246 28 V C 2.032 178.187 176.094 0.101 0.000 1.045 28 V CA 3.762 66.173 62.300 0.185 0.000 1.058 28 V CB -0.688 31.232 31.823 0.163 0.000 0.689 28 V HN -0.718 7.546 8.190 0.123 0.000 0.461 29 H N 1.107 120.158 119.070 -0.032 0.000 2.421 29 H HA -0.279 nan 4.556 nan 0.000 0.298 29 H C 2.470 177.685 175.328 -0.188 0.000 1.087 29 H CA 3.778 59.758 56.048 -0.113 0.000 1.330 29 H CB 0.146 29.858 29.762 -0.083 0.000 1.388 29 H HN 0.178 8.489 8.280 0.172 0.072 0.526 30 R N 0.290 120.670 120.500 -0.200 0.000 2.154 30 R HA -0.351 nan 4.340 nan 0.000 0.248 30 R C 1.230 177.109 176.300 -0.703 0.000 1.155 30 R CA 3.020 58.851 56.100 -0.448 0.000 0.979 30 R CB -0.299 29.716 30.300 -0.477 0.000 0.869 30 R HN -0.257 7.969 8.270 -0.049 0.014 0.452 31 W N -5.062 116.136 121.300 -0.170 0.000 3.177 31 W HA 0.064 nan 4.660 nan 0.000 0.309 31 W C -0.869 175.417 176.519 -0.389 0.000 1.224 31 W CA -1.364 55.897 57.345 -0.141 0.000 1.718 31 W CB 1.165 30.641 29.460 0.027 0.000 1.078 31 W HN -0.532 7.414 8.180 -0.157 0.140 0.618 32 L N -1.450 119.429 121.223 -0.573 0.000 2.439 32 L HA -0.243 nan 4.340 nan 0.000 0.269 32 L C 0.599 177.179 176.870 -0.483 0.000 1.179 32 L CA 1.922 56.180 54.840 -0.971 0.000 0.828 32 L CB 0.294 41.851 42.059 -0.837 0.000 1.106 32 L HN -0.604 7.120 8.230 -0.519 0.195 0.467 33 Q N 1.750 121.391 119.800 -0.266 0.000 7.859 33 Q HA -0.152 nan 4.340 nan 0.000 0.365 33 Q C 0.517 176.559 176.000 0.069 0.000 1.024 33 Q CA 1.998 57.748 55.803 -0.089 0.000 0.536 33 Q CB -1.117 27.552 28.738 -0.115 0.000 0.163 33 Q HN 0.485 8.596 8.270 -0.265 0.000 0.892 34 S N 2.102 117.893 115.700 0.152 0.000 2.561 34 S HA -0.101 nan 4.470 nan 0.000 0.225 34 S C 0.892 175.758 174.600 0.443 0.000 0.977 34 S CA 2.720 61.095 58.200 0.293 0.000 0.926 34 S CB -0.402 63.021 63.200 0.371 0.000 0.769 34 S HN -0.404 7.901 8.310 0.094 0.061 0.533 35 F N 0.434 120.487 119.950 0.172 0.000 2.293 35 F HA -0.053 nan 4.527 nan 0.000 0.300 35 F C 0.337 176.338 175.800 0.334 0.000 1.086 35 F CA 0.408 58.536 58.000 0.212 0.000 1.375 35 F CB -0.338 38.762 39.000 0.167 0.000 1.045 35 F HN -0.249 8.341 8.300 0.446 -0.023 0.516 36 N N -1.033 117.931 118.700 0.441 0.000 2.524 36 N HA -0.047 nan 4.740 nan 0.000 0.283 36 N C -1.595 174.174 175.510 0.431 0.000 1.142 36 N CA -0.071 53.184 53.050 0.341 0.000 0.984 36 N CB 1.061 39.632 38.487 0.140 0.000 1.155 36 N HN -0.796 7.758 8.380 0.359 0.041 0.467 37 W N 1.376 122.784 121.300 0.181 0.000 2.975 37 W HA 0.321 nan 4.660 nan 0.000 0.342 37 W C -2.016 174.613 176.519 0.183 0.000 1.168 37 W CA -2.070 55.378 57.345 0.172 0.000 1.141 37 W CB 1.766 31.334 29.460 0.179 0.000 1.445 37 W HN -0.314 7.826 8.180 -0.068 0.000 0.560 38 D N 1.426 122.001 120.400 0.291 0.000 2.256 38 D HA 0.231 nan 4.640 nan 0.000 0.250 38 D C -1.269 175.222 176.300 0.319 0.000 1.093 38 D CA 0.302 54.373 54.000 0.117 0.000 0.882 38 D CB 0.679 41.539 40.800 0.101 0.000 1.185 38 D HN -0.054 8.557 8.370 0.401 0.000 0.437 39 F N -2.224 117.727 119.950 0.001 0.000 2.678 39 F HA 0.233 nan 4.527 nan 0.000 0.308 39 F C -1.693 174.102 175.800 -0.008 0.000 1.118 39 F CA -2.016 56.004 58.000 0.034 0.000 0.959 39 F CB 2.059 41.089 39.000 0.050 0.000 1.305 39 F HN -0.405 7.720 8.300 -0.290 0.000 0.443 40 K N 2.020 122.529 120.400 0.181 0.000 2.339 40 K HA -0.030 nan 4.320 nan 0.000 0.286 40 K C -0.449 176.222 176.600 0.118 0.000 1.050 40 K CA 1.440 57.766 56.287 0.064 0.000 0.956 40 K CB 0.107 32.652 32.500 0.076 0.000 0.990 40 K HN 0.380 8.790 8.250 0.267 0.000 0.475 41 N N 0.591 119.273 118.700 -0.029 0.000 2.984 41 N HA -0.282 nan 4.740 nan 0.000 0.199 41 N C -1.323 174.046 175.510 -0.235 0.000 0.934 41 N CA 0.674 53.709 53.050 -0.024 0.000 1.043 41 N CB -0.981 37.592 38.487 0.143 0.000 1.015 41 N HN 0.533 8.859 8.380 -0.089 0.000 0.557 42 N N 2.272 120.525 118.700 -0.745 0.000 2.605 42 N HA -0.071 nan 4.740 nan 0.000 0.258 42 N C -1.141 174.099 175.510 -0.450 0.000 1.156 42 N CA 0.080 52.526 53.050 -1.006 0.000 1.008 42 N CB -0.687 36.858 38.487 -1.569 0.000 1.354 42 N HN -0.394 7.505 8.380 -0.725 0.047 0.509 43 R N 2.580 122.923 120.500 -0.262 0.000 2.734 43 R HA 0.327 nan 4.340 nan 0.000 0.271 43 R C -0.978 175.260 176.300 -0.105 0.000 1.021 43 R CA -1.423 54.585 56.100 -0.153 0.000 0.893 43 R CB 1.520 31.750 30.300 -0.117 0.000 1.244 43 R HN -0.611 7.511 8.270 -0.229 0.010 0.464 44 T N 0.813 115.330 114.554 -0.061 0.000 2.930 44 T HA 0.035 nan 4.350 nan 0.000 0.306 44 T C 0.221 174.881 174.700 -0.068 0.000 1.045 44 T CA 0.725 62.808 62.100 -0.028 0.000 1.134 44 T CB 0.151 69.037 68.868 0.030 0.000 0.961 44 T HN 0.139 8.349 8.240 -0.050 0.000 0.545 45 K N 2.735 123.064 120.400 -0.118 0.000 2.444 45 K HA -0.073 nan 4.320 nan 0.000 0.193 45 K C -0.639 175.651 176.600 -0.517 0.000 1.024 45 K CA 0.847 56.953 56.287 -0.303 0.000 1.077 45 K CB 0.512 32.777 32.500 -0.392 0.000 0.833 45 K HN 0.117 8.600 8.250 -0.071 -0.276 0.517 46 Y N -1.761 118.499 120.300 -0.066 0.000 2.429 46 Y HA 0.047 nan 4.550 nan 0.000 0.342 46 Y C -0.357 175.514 175.900 -0.048 0.000 1.004 46 Y CA -1.338 56.726 58.100 -0.060 0.000 1.075 46 Y CB 1.824 40.244 38.460 -0.066 0.000 1.214 46 Y HN -0.769 7.441 8.280 0.016 0.080 0.455 47 A N 4.365 127.228 122.820 0.072 0.000 2.511 47 A HA -0.038 nan 4.320 nan 0.000 0.242 47 A C -1.402 176.209 177.584 0.045 0.000 1.069 47 A CA 0.894 52.947 52.037 0.026 0.000 0.763 47 A CB 0.352 19.353 19.000 0.002 0.000 1.001 47 A HN 0.316 8.518 8.150 0.088 0.000 0.498 48 T N 0.666 115.227 114.554 0.012 0.000 2.886 48 T HA 0.142 nan 4.350 nan 0.000 0.330 48 T C -0.757 173.909 174.700 -0.055 0.000 1.488 48 T CA -0.226 61.891 62.100 0.027 0.000 1.054 48 T CB 2.118 71.048 68.868 0.104 0.000 1.348 48 T HN -0.271 7.961 8.240 -0.013 0.000 0.489 49 K N 2.297 122.593 120.400 -0.174 0.000 2.404 49 K HA 0.255 nan 4.320 nan 0.000 0.194 49 K C 0.099 176.479 176.600 -0.367 0.000 1.023 49 K CA 0.455 56.487 56.287 -0.426 0.000 1.094 49 K CB 1.052 33.000 32.500 -0.919 0.000 0.841 49 K HN 0.094 8.513 8.250 -0.074 -0.214 0.523 50 Y N -1.586 118.725 120.300 0.017 0.000 2.602 50 Y HA 0.258 nan 4.550 nan 0.000 0.342 50 Y C -0.988 174.927 175.900 0.024 0.000 1.029 50 Y CA -1.635 56.491 58.100 0.043 0.000 1.080 50 Y CB 2.595 41.082 38.460 0.046 0.000 1.284 50 Y HN -0.613 7.697 8.280 0.161 0.067 0.485 51 K N 0.726 121.244 120.400 0.197 0.000 2.323 51 K HA 0.302 nan 4.320 nan 0.000 0.259 51 K C -1.184 175.467 176.600 0.085 0.000 0.947 51 K CA -1.073 55.276 56.287 0.104 0.000 0.819 51 K CB 1.747 34.286 32.500 0.065 0.000 1.109 51 K HN 0.118 8.733 8.250 0.232 -0.225 0.429 52 M N 3.151 122.787 119.600 0.060 0.000 2.144 52 M HA 0.034 nan 4.480 nan 0.000 0.356 52 M C 0.007 176.320 176.300 0.022 0.000 1.217 52 M CA -0.390 54.933 55.300 0.038 0.000 1.087 52 M CB 1.056 33.688 32.600 0.054 0.000 1.609 52 M HN 0.203 8.527 8.290 0.057 0.000 0.467 53 A N 5.574 128.398 122.820 0.006 0.000 2.511 53 A HA -0.027 nan 4.320 nan 0.000 0.242 53 A C -1.372 176.210 177.584 -0.003 0.000 1.069 53 A CA 0.154 52.191 52.037 -0.000 0.000 0.763 53 A CB 0.158 19.152 19.000 -0.010 0.000 1.001 53 A HN 0.420 8.456 8.150 -0.002 0.113 0.498 54 N N 1.555 120.253 118.700 -0.003 0.000 2.347 54 N HA -0.068 nan 4.740 nan 0.000 0.253 54 N C -0.444 175.062 175.510 -0.007 0.000 1.274 54 N CA -0.030 53.018 53.050 -0.004 0.000 0.941 54 N CB 0.186 38.671 38.487 -0.002 0.000 1.200 54 N HN 0.055 8.434 8.380 -0.003 0.000 0.514 55 E N -7.009 113.186 120.200 -0.008 0.000 3.673 55 E HA -0.406 nan 4.350 nan 0.000 0.309 55 E C -0.593 175.991 176.600 -0.027 0.000 0.819 55 E CA 1.941 58.332 56.400 -0.016 0.000 1.111 55 E CB -1.233 28.462 29.700 -0.009 0.000 1.561 55 E HN 0.463 8.820 8.360 -0.005 0.000 0.450 56 T N 2.466 117.001 114.554 -0.031 0.000 2.817 56 T HA -0.048 nan 4.350 nan 0.000 0.295 56 T C -0.634 174.035 174.700 -0.051 0.000 0.958 56 T CA 1.962 64.035 62.100 -0.046 0.000 1.157 56 T CB 0.095 68.931 68.868 -0.054 0.000 0.898 56 T HN -0.604 7.537 8.240 -0.024 0.085 0.536 57 K N 5.020 125.391 120.400 -0.049 0.000 2.090 57 K HA 0.451 nan 4.320 nan 0.000 0.249 57 K C -0.784 175.789 176.600 -0.045 0.000 0.995 57 K CA -0.932 55.329 56.287 -0.043 0.000 0.914 57 K CB 1.650 34.127 32.500 -0.039 0.000 1.057 57 K HN 0.179 8.401 8.250 -0.047 0.000 0.462 58 E N 0.715 120.899 120.200 -0.025 0.000 2.299 58 E HA 0.223 nan 4.350 nan 0.000 0.260 58 E C -1.139 175.415 176.600 -0.076 0.000 0.944 58 E CA -1.887 54.492 56.400 -0.036 0.000 0.815 58 E CB 1.838 31.532 29.700 -0.010 0.000 1.252 58 E HN 0.126 8.729 8.360 0.003 -0.241 0.418 59 Q N 0.335 120.059 119.800 -0.128 0.000 2.204 59 Q HA -0.097 nan 4.340 nan 0.000 0.198 59 Q C -0.383 175.260 176.000 -0.595 0.000 0.946 59 Q CA 1.273 56.841 55.803 -0.391 0.000 0.859 59 Q CB 0.832 29.237 28.738 -0.555 0.000 0.946 59 Q HN 0.443 8.696 8.270 -0.029 0.000 0.474 60 F N -0.566 119.319 119.950 -0.109 0.000 2.411 60 F HA 0.131 nan 4.527 nan 0.000 0.352 60 F C -0.181 175.436 175.800 -0.305 0.000 1.123 60 F CA -1.299 56.611 58.000 -0.149 0.000 1.044 60 F CB 1.122 40.072 39.000 -0.083 0.000 1.135 60 F HN -0.487 7.849 8.300 0.060 0.000 0.461 61 K N 5.426 125.635 120.400 -0.318 0.000 3.233 61 K HA -0.015 nan 4.320 nan 0.000 0.283 61 K C -0.961 175.396 176.600 -0.404 0.000 1.209 61 K CA -1.307 54.514 56.287 -0.777 0.000 1.197 61 K CB -2.671 29.535 32.500 -0.490 0.000 1.431 61 K HN 0.510 8.636 8.250 -0.206 0.000 0.326 62 L N -0.436 120.675 121.223 -0.188 0.000 2.417 62 L HA -0.067 nan 4.340 nan 0.000 0.268 62 L C -0.142 176.766 176.870 0.063 0.000 1.158 62 L CA 0.065 54.903 54.840 -0.005 0.000 0.819 62 L CB 0.719 42.819 42.059 0.068 0.000 1.112 62 L HN -0.376 7.667 8.230 -0.174 0.082 0.458 63 I N 1.906 122.527 120.570 0.085 0.000 2.740 63 I HA 0.134 nan 4.170 nan 0.000 0.303 63 I C -0.005 176.177 176.117 0.108 0.000 1.044 63 I CA -1.771 59.589 61.300 0.101 0.000 1.064 63 I CB 3.714 41.775 38.000 0.102 0.000 1.249 63 I HN -0.306 7.952 8.210 0.079 0.000 0.433 64 A N 7.247 130.123 122.820 0.094 0.000 1.903 64 A HA -0.261 nan 4.320 nan 0.000 0.219 64 A C 1.942 179.616 177.584 0.150 0.000 1.191 64 A CA 3.618 55.717 52.037 0.103 0.000 0.638 64 A CB -0.466 18.573 19.000 0.065 0.000 0.823 64 A HN 0.576 8.777 8.150 0.085 0.000 0.451 65 K N -2.416 118.050 120.400 0.110 0.000 2.057 65 K HA -0.278 nan 4.320 nan 0.000 0.207 65 K C 2.374 179.020 176.600 0.077 0.000 1.049 65 K CA 3.362 59.704 56.287 0.090 0.000 0.931 65 K CB -0.365 32.178 32.500 0.072 0.000 0.714 65 K HN 0.109 8.418 8.250 0.098 0.000 0.440 66 E N -0.602 119.644 120.200 0.077 0.000 2.152 66 E HA -0.242 nan 4.350 nan 0.000 0.192 66 E C 1.952 178.573 176.600 0.035 0.000 0.983 66 E CA 2.229 58.657 56.400 0.047 0.000 0.818 66 E CB -0.640 29.088 29.700 0.047 0.000 0.758 66 E HN -0.542 7.871 8.360 0.087 0.000 0.467 67 Y N 0.955 121.253 120.300 -0.004 0.000 2.165 67 Y HA -0.483 nan 4.550 nan 0.000 0.286 67 Y C 1.245 177.140 175.900 -0.009 0.000 1.155 67 Y CA 3.638 61.728 58.100 -0.017 0.000 1.164 67 Y CB -0.149 38.296 38.460 -0.025 0.000 0.978 67 Y HN -0.079 8.246 8.280 0.212 0.082 0.513 68 A N -1.629 121.167 122.820 -0.039 0.000 1.877 68 A HA -0.419 nan 4.320 nan 0.000 0.216 68 A C 1.741 179.244 177.584 -0.135 0.000 1.186 68 A CA 3.107 55.099 52.037 -0.075 0.000 0.620 68 A CB -1.030 18.010 19.000 0.066 0.000 0.822 68 A HN -0.065 8.185 8.150 0.167 0.000 0.443 69 R N -1.153 119.300 120.500 -0.079 0.000 2.091 69 R HA -0.354 nan 4.340 nan 0.000 0.238 69 R C 2.093 178.329 176.300 -0.106 0.000 1.136 69 R CA 3.171 59.232 56.100 -0.066 0.000 0.959 69 R CB -0.134 30.147 30.300 -0.031 0.000 0.856 69 R HN -0.475 7.773 8.270 -0.037 0.000 0.437 70 M N -0.787 118.721 119.600 -0.153 0.000 2.106 70 M HA -0.376 nan 4.480 nan 0.000 0.259 70 M C 2.111 178.288 176.300 -0.206 0.000 1.068 70 M CA 3.659 58.856 55.300 -0.172 0.000 1.100 70 M CB -0.021 32.458 32.600 -0.202 0.000 1.351 70 M HN -0.251 7.947 8.290 -0.153 0.000 0.404 71 E N -2.225 117.790 120.200 -0.308 0.000 2.086 71 E HA -0.188 nan 4.350 nan 0.000 0.190 71 E C 2.227 178.753 176.600 -0.122 0.000 0.975 71 E CA 2.091 58.345 56.400 -0.243 0.000 0.813 71 E CB -0.246 29.247 29.700 -0.345 0.000 0.768 71 E HN -0.536 7.569 8.360 -0.425 0.000 0.457 72 A N 0.444 123.209 122.820 -0.093 0.000 1.917 72 A HA -0.290 nan 4.320 nan 0.000 0.219 72 A C 2.411 179.983 177.584 -0.020 0.000 1.182 72 A CA 3.295 55.314 52.037 -0.029 0.000 0.633 72 A CB -0.709 18.279 19.000 -0.020 0.000 0.819 72 A HN 0.274 8.348 8.150 -0.128 0.000 0.448 73 V N -1.683 118.206 119.914 -0.041 0.000 2.295 73 V HA -0.534 nan 4.120 nan 0.000 0.246 73 V C 2.155 178.224 176.094 -0.041 0.000 1.049 73 V CA 4.649 66.928 62.300 -0.034 0.000 1.024 73 V CB -0.860 30.937 31.823 -0.043 0.000 0.648 73 V HN -0.432 7.722 8.190 -0.060 0.000 0.447 74 K N -1.365 118.998 120.400 -0.062 0.000 2.032 74 K HA -0.437 nan 4.320 nan 0.000 0.209 74 K C 2.328 178.872 176.600 -0.093 0.000 1.048 74 K CA 3.472 59.713 56.287 -0.076 0.000 0.927 74 K CB -0.487 31.960 32.500 -0.088 0.000 0.712 74 K HN -0.792 7.413 8.250 -0.075 0.000 0.441 75 D N -0.751 119.608 120.400 -0.069 0.000 2.104 75 D HA -0.275 nan 4.640 nan 0.000 0.194 75 D C 2.253 178.571 176.300 0.029 0.000 0.994 75 D CA 3.351 57.314 54.000 -0.062 0.000 0.830 75 D CB -0.395 40.482 40.800 0.129 0.000 0.959 75 D HN -0.125 8.216 8.370 -0.048 0.000 0.452 76 E N -2.208 118.031 120.200 0.064 0.000 2.204 76 E HA -0.313 nan 4.350 nan 0.000 0.194 76 E C 1.542 178.170 176.600 0.047 0.000 0.989 76 E CA 2.197 58.652 56.400 0.092 0.000 0.824 76 E CB -0.506 29.226 29.700 0.054 0.000 0.756 76 E HN -0.255 8.126 8.360 0.036 0.000 0.477 77 R N -1.132 119.361 120.500 -0.010 0.000 2.093 77 R HA -0.162 nan 4.340 nan 0.000 0.224 77 R C 1.630 177.893 176.300 -0.062 0.000 1.101 77 R CA 2.454 58.538 56.100 -0.028 0.000 0.979 77 R CB 0.490 30.766 30.300 -0.040 0.000 0.877 77 R HN -0.792 7.447 8.270 -0.024 0.017 0.441 78 Q N -1.149 118.562 119.800 -0.149 0.000 1.994 78 Q HA -0.201 nan 4.340 nan 0.000 0.198 78 Q C 1.276 177.123 176.000 -0.255 0.000 0.976 78 Q CA 2.994 58.634 55.803 -0.272 0.000 0.828 78 Q CB 0.646 29.095 28.738 -0.483 0.000 0.894 78 Q HN -0.684 7.356 8.270 -0.154 0.138 0.432 79 F N -2.367 117.523 119.950 -0.099 0.000 2.435 79 F HA -0.237 nan 4.527 nan 0.000 0.316 79 F C 1.312 177.093 175.800 -0.032 0.000 1.220 79 F CA 1.584 59.531 58.000 -0.089 0.000 1.241 79 F CB 0.134 39.063 39.000 -0.118 0.000 1.234 79 F HN -0.129 7.963 8.300 -0.345 0.000 0.569 80 G N -0.011 108.901 108.800 0.186 0.000 5.219 80 G HA2 -0.537 nan 3.960 nan 0.000 0.267 80 G HA3 -0.537 nan 3.960 nan 0.000 0.267 80 G C 1.163 176.106 174.900 0.072 0.000 1.495 80 G CA 1.465 46.626 45.100 0.102 0.000 0.988 80 G HN -0.120 8.301 8.290 0.219 0.000 0.707 81 S N 4.164 119.885 115.700 0.035 0.000 2.370 81 S HA -0.206 nan 4.470 nan 0.000 0.226 81 S C 1.585 176.200 174.600 0.025 0.000 1.033 81 S CA 4.491 62.700 58.200 0.014 0.000 1.011 81 S CB -0.065 63.121 63.200 -0.024 0.000 0.852 81 S HN -0.537 7.764 8.310 0.019 0.020 0.457 82 L N -0.523 120.717 121.223 0.030 0.000 2.027 82 L HA -0.316 nan 4.340 nan 0.000 0.206 82 L C 1.624 178.606 176.870 0.188 0.000 1.074 82 L CA 3.557 58.408 54.840 0.018 0.000 0.745 82 L CB -0.392 41.693 42.059 0.043 0.000 0.898 82 L HN -0.411 7.833 8.230 0.022 0.000 0.433 83 Q N -2.755 117.182 119.800 0.229 0.000 2.187 83 Q HA -0.264 nan 4.340 nan 0.000 0.199 83 Q C 1.364 177.458 176.000 0.156 0.000 0.957 83 Q CA 2.827 58.771 55.803 0.234 0.000 0.857 83 Q CB 0.144 29.006 28.738 0.207 0.000 0.929 83 Q HN -0.030 8.363 8.270 0.205 0.000 0.453 84 V N -1.981 118.002 119.914 0.114 0.000 3.064 84 V HA -0.038 nan 4.120 nan 0.000 0.215 84 V C 0.806 176.945 176.094 0.076 0.000 1.167 84 V CA 1.849 64.199 62.300 0.083 0.000 1.286 84 V CB 0.426 32.286 31.823 0.063 0.000 1.103 84 V HN 0.065 8.320 8.190 0.107 0.000 0.510 85 A N -0.012 122.843 122.820 0.057 0.000 1.892 85 A HA -0.349 nan 4.320 nan 0.000 0.218 85 A C 2.130 179.745 177.584 0.052 0.000 1.188 85 A CA 3.383 55.447 52.037 0.045 0.000 0.631 85 A CB -0.740 18.277 19.000 0.028 0.000 0.822 85 A HN -0.151 8.030 8.150 0.052 0.000 0.447 86 L N -5.331 115.926 121.223 0.056 0.000 2.217 86 L HA -0.360 nan 4.340 nan 0.000 0.211 86 L C 2.052 178.999 176.870 0.129 0.000 1.107 86 L CA 2.924 57.801 54.840 0.063 0.000 0.783 86 L CB -0.582 41.479 42.059 0.003 0.000 0.919 86 L HN 0.289 8.549 8.230 0.050 0.000 0.442 87 T N 1.247 115.903 114.554 0.169 0.000 2.857 87 T HA -0.224 nan 4.350 nan 0.000 0.266 87 T C 2.703 177.458 174.700 0.092 0.000 1.048 87 T CA 4.231 66.432 62.100 0.169 0.000 1.139 87 T CB -0.685 68.286 68.868 0.171 0.000 0.874 87 T HN -0.411 7.926 8.240 0.162 0.000 0.455 88 R N 2.347 122.891 120.500 0.074 0.000 2.096 88 R HA -0.211 nan 4.340 nan 0.000 0.235 88 R C 1.752 178.080 176.300 0.047 0.000 1.127 88 R CA 2.696 58.827 56.100 0.051 0.000 0.968 88 R CB -0.037 30.289 30.300 0.043 0.000 0.861 88 R HN -0.174 8.144 8.270 0.080 0.000 0.440 89 L N -4.437 116.818 121.223 0.052 0.000 2.610 89 L HA -0.017 nan 4.340 nan 0.000 0.232 89 L C -0.645 176.260 176.870 0.057 0.000 1.149 89 L CA -0.090 54.778 54.840 0.048 0.000 0.872 89 L CB -0.413 41.671 42.059 0.042 0.000 0.992 89 L HN -0.390 7.875 8.230 0.057 0.000 0.447 90 N N -3.006 115.735 118.700 0.068 0.000 2.747 90 N HA -0.371 nan 4.740 nan 0.000 0.249 90 N C 0.749 176.319 175.510 0.100 0.000 1.107 90 N CA 0.528 53.622 53.050 0.073 0.000 0.707 90 N CB 0.059 38.578 38.487 0.054 0.000 1.054 90 N HN -0.498 7.728 8.380 0.072 0.196 0.555 91 A N -1.995 120.895 122.820 0.117 0.000 2.024 91 A HA -0.181 nan 4.320 nan 0.000 0.220 91 A C 0.809 178.505 177.584 0.186 0.000 1.164 91 A CA 2.985 55.100 52.037 0.129 0.000 0.643 91 A CB -0.496 18.559 19.000 0.092 0.000 0.806 91 A HN 0.117 8.321 8.150 0.117 0.015 0.451 92 G N -2.938 105.993 108.800 0.220 0.000 2.432 92 G HA2 -0.163 nan 3.960 nan 0.000 0.219 92 G HA3 -0.163 nan 3.960 nan 0.000 0.219 92 G C 0.925 175.990 174.900 0.276 0.000 1.135 92 G CA 1.242 46.484 45.100 0.237 0.000 0.767 92 G HN 0.054 8.459 8.290 0.223 0.018 0.550 93 V N 1.150 121.169 119.914 0.174 0.000 2.535 93 V HA -0.142 nan 4.120 nan 0.000 0.246 93 V C 1.763 177.946 176.094 0.149 0.000 1.045 93 V CA 2.113 64.499 62.300 0.143 0.000 1.058 93 V CB 0.058 31.931 31.823 0.084 0.000 0.689 93 V HN -0.515 7.733 8.190 0.140 0.026 0.461 94 R N -1.306 119.283 120.500 0.149 0.000 4.609 94 R HA 0.052 nan 4.340 nan 0.000 0.235 94 R C -1.161 175.237 176.300 0.163 0.000 1.836 94 R CA -0.237 55.941 56.100 0.130 0.000 1.564 94 R CB -1.723 28.638 30.300 0.100 0.000 1.382 94 R HN -0.530 7.832 8.270 0.154 0.000 0.776 95 V N -1.339 118.693 119.914 0.197 0.000 2.680 95 V HA 0.252 nan 4.120 nan 0.000 0.309 95 V C -0.581 175.651 176.094 0.229 0.000 1.052 95 V CA -1.783 60.669 62.300 0.253 0.000 0.908 95 V CB 2.886 34.915 31.823 0.342 0.000 1.001 95 V HN -0.304 7.925 8.190 0.173 0.065 0.431 96 H N 8.287 127.472 119.070 0.192 0.000 2.964 96 H HA 0.090 nan 4.556 nan 0.000 0.328 96 H C -0.488 174.929 175.328 0.148 0.000 1.030 96 H CA -0.141 56.000 56.048 0.155 0.000 1.445 96 H CB 1.505 31.354 29.762 0.146 0.000 1.449 96 H HN 0.405 8.913 8.280 0.381 0.000 0.581 97 P HA -0.318 nan 4.420 nan 0.000 0.216 97 P C 1.226 178.569 177.300 0.071 0.000 1.154 97 P CA 2.791 65.852 63.100 -0.066 0.000 0.865 97 P CB 0.259 31.874 31.700 -0.141 0.000 0.789 98 K N -2.417 118.124 120.400 0.235 0.000 2.103 98 K HA -0.303 nan 4.320 nan 0.000 0.207 98 K C 2.244 178.954 176.600 0.182 0.000 1.048 98 K CA 3.230 59.660 56.287 0.239 0.000 0.930 98 K CB -0.449 32.236 32.500 0.309 0.000 0.716 98 K HN -0.615 7.808 8.250 0.288 0.000 0.444 99 W N 0.154 121.513 121.300 0.098 0.000 2.476 99 W HA -0.235 nan 4.660 nan 0.000 0.281 99 W C 0.911 177.389 176.519 -0.069 0.000 1.230 99 W CA 1.969 59.332 57.345 0.030 0.000 1.287 99 W CB 0.816 30.328 29.460 0.086 0.000 1.108 99 W HN 0.044 8.366 8.180 0.461 0.134 0.567 100 N N 0.238 118.900 118.700 -0.063 0.000 2.149 100 N HA -0.386 nan 4.740 nan 0.000 0.188 100 N C 1.617 176.972 175.510 -0.258 0.000 1.019 100 N CA 3.986 56.904 53.050 -0.220 0.000 0.857 100 N CB -0.098 38.358 38.487 -0.051 0.000 0.997 100 N HN -0.430 8.020 8.380 0.115 0.000 0.426 101 E N -1.677 118.397 120.200 -0.209 0.000 2.051 101 E HA -0.065 nan 4.350 nan 0.000 0.189 101 E C 2.766 179.121 176.600 -0.409 0.000 0.979 101 E CA 2.075 58.327 56.400 -0.247 0.000 0.803 101 E CB -0.233 29.410 29.700 -0.095 0.000 0.761 101 E HN -0.524 7.678 8.360 -0.112 0.091 0.451 102 T N 4.164 118.442 114.554 -0.461 0.000 2.759 102 T HA -0.266 nan 4.350 nan 0.000 0.269 102 T C 1.978 176.246 174.700 -0.720 0.000 1.042 102 T CA 4.639 66.362 62.100 -0.627 0.000 1.140 102 T CB -0.449 68.019 68.868 -0.667 0.000 0.864 102 T HN 0.198 8.231 8.240 -0.345 0.000 0.455 103 M N -0.717 118.425 119.600 -0.764 0.000 2.460 103 M HA -0.169 nan 4.480 nan 0.000 0.263 103 M C 1.739 177.887 176.300 -0.253 0.000 1.071 103 M CA 0.242 55.225 55.300 -0.529 0.000 1.096 103 M CB -1.603 30.671 32.600 -0.543 0.000 1.408 103 M HN 0.039 7.814 8.290 -0.845 0.008 0.463 104 K N 0.063 120.220 120.400 -0.406 0.000 2.025 104 K HA -0.279 nan 4.320 nan 0.000 0.207 104 K C 2.243 178.748 176.600 -0.157 0.000 1.049 104 K CA 3.457 59.545 56.287 -0.332 0.000 0.933 104 K CB -0.416 31.770 32.500 -0.524 0.000 0.714 104 K HN -0.256 7.523 8.250 -0.526 0.155 0.438 105 V N 0.752 120.368 119.914 -0.498 0.000 2.255 105 V HA -0.253 nan 4.120 nan 0.000 0.243 105 V C 1.884 177.756 176.094 -0.370 0.000 1.038 105 V CA 4.242 66.126 62.300 -0.692 0.000 1.008 105 V CB -0.530 30.632 31.823 -1.101 0.000 0.645 105 V HN -0.627 7.172 8.190 -0.651 0.000 0.449 106 V N -0.957 118.778 119.914 -0.298 0.000 2.282 106 V HA -0.535 nan 4.120 nan 0.000 0.249 106 V C 2.090 178.279 176.094 0.159 0.000 1.057 106 V CA 4.912 67.164 62.300 -0.080 0.000 1.032 106 V CB -0.972 30.755 31.823 -0.161 0.000 0.645 106 V HN 0.120 8.050 8.190 -0.432 0.000 0.447 107 S N -1.893 113.917 115.700 0.182 0.000 2.388 107 S HA -0.221 nan 4.470 nan 0.000 0.223 107 S C 2.065 176.866 174.600 0.336 0.000 1.034 107 S CA 3.660 62.063 58.200 0.339 0.000 0.963 107 S CB -0.199 63.218 63.200 0.362 0.000 0.827 107 S HN -0.109 8.139 8.310 0.074 0.107 0.481 108 N N 2.134 121.026 118.700 0.319 0.000 2.270 108 N HA -0.203 nan 4.740 nan 0.000 0.181 108 N C 2.368 178.170 175.510 0.487 0.000 1.016 108 N CA 3.148 56.406 53.050 0.346 0.000 0.870 108 N CB -0.021 38.645 38.487 0.298 0.000 0.979 108 N HN -0.602 7.936 8.380 0.263 0.000 0.431 109 F N -0.182 119.899 119.950 0.219 0.000 2.163 109 F HA -0.137 nan 4.527 nan 0.000 0.297 109 F C 1.948 177.920 175.800 0.287 0.000 1.094 109 F CA 2.010 60.183 58.000 0.288 0.000 1.290 109 F CB -0.166 38.989 39.000 0.258 0.000 1.017 109 F HN 0.188 8.840 8.300 0.587 0.000 0.483 110 L N -1.088 120.400 121.223 0.442 0.000 2.079 110 L HA -0.486 nan 4.340 nan 0.000 0.210 110 L C 1.590 178.685 176.870 0.375 0.000 1.081 110 L CA 3.227 58.293 54.840 0.376 0.000 0.752 110 L CB -0.352 41.877 42.059 0.283 0.000 0.896 110 L HN -0.320 8.161 8.230 0.419 0.000 0.433 111 E N -0.382 120.025 120.200 0.345 0.000 2.085 111 E HA -0.434 nan 4.350 nan 0.000 0.194 111 E C 2.237 179.031 176.600 0.322 0.000 0.994 111 E CA 3.650 60.233 56.400 0.304 0.000 0.801 111 E CB -0.051 29.810 29.700 0.267 0.000 0.743 111 E HN -0.276 8.215 8.360 0.357 0.083 0.453 112 V N -0.895 119.224 119.914 0.343 0.000 2.427 112 V HA -0.259 nan 4.120 nan 0.000 0.248 112 V C 1.471 177.778 176.094 0.356 0.000 1.051 112 V CA 3.895 66.401 62.300 0.343 0.000 1.048 112 V CB -0.618 31.428 31.823 0.373 0.000 0.666 112 V HN -0.501 7.903 8.190 0.357 0.000 0.456 113 G N -1.332 107.729 108.800 0.436 0.000 2.408 113 G HA2 -0.289 nan 3.960 nan 0.000 0.217 113 G HA3 -0.289 nan 3.960 nan 0.000 0.217 113 G C 1.332 176.454 174.900 0.371 0.000 1.150 113 G CA 2.244 47.623 45.100 0.464 0.000 0.776 113 G HN -0.564 7.919 8.290 0.486 0.099 0.542 114 E N 2.274 122.679 120.200 0.342 0.000 2.077 114 E HA -0.338 nan 4.350 nan 0.000 0.193 114 E C 2.090 178.806 176.600 0.193 0.000 0.989 114 E CA 2.631 59.184 56.400 0.255 0.000 0.800 114 E CB -0.561 29.301 29.700 0.270 0.000 0.746 114 E HN -0.108 8.479 8.360 0.380 0.000 0.452 115 Y N 0.739 121.116 120.300 0.129 0.000 2.184 115 Y HA -0.382 nan 4.550 nan 0.000 0.290 115 Y C 1.709 177.655 175.900 0.078 0.000 1.129 115 Y CA 3.599 61.746 58.100 0.078 0.000 1.144 115 Y CB 0.366 38.876 38.460 0.084 0.000 0.995 115 Y HN -0.026 8.408 8.280 0.394 0.082 0.513 116 N N -0.912 117.880 118.700 0.153 0.000 2.396 116 N HA -0.324 nan 4.740 nan 0.000 0.180 116 N C 1.783 177.324 175.510 0.051 0.000 1.028 116 N CA 3.133 56.239 53.050 0.093 0.000 0.893 116 N CB -0.169 38.436 38.487 0.197 0.000 0.967 116 N HN 0.204 8.768 8.380 0.306 0.000 0.440 117 A N -0.223 122.623 122.820 0.042 0.000 2.067 117 A HA -0.164 nan 4.320 nan 0.000 0.219 117 A C 1.522 178.978 177.584 -0.213 0.000 1.158 117 A CA 2.608 54.530 52.037 -0.192 0.000 0.661 117 A CB -0.891 17.968 19.000 -0.236 0.000 0.801 117 A HN -0.021 8.219 8.150 0.151 0.000 0.452 118 I N -1.073 119.368 120.570 -0.216 0.000 2.142 118 I HA -0.576 nan 4.170 nan 0.000 0.240 118 I C 1.569 177.570 176.117 -0.192 0.000 1.078 118 I CA 3.825 64.987 61.300 -0.230 0.000 1.343 118 I CB -0.307 37.496 38.000 -0.327 0.000 1.046 118 I HN -0.520 7.444 8.210 -0.211 0.119 0.405 119 A N -1.723 120.963 122.820 -0.222 0.000 1.930 119 A HA -0.294 nan 4.320 nan 0.000 0.217 119 A C 1.813 179.295 177.584 -0.169 0.000 1.175 119 A CA 2.901 54.837 52.037 -0.169 0.000 0.627 119 A CB -1.010 17.902 19.000 -0.146 0.000 0.815 119 A HN -0.552 7.431 8.150 -0.278 0.000 0.443 120 A N -2.652 120.062 122.820 -0.177 0.000 1.877 120 A HA -0.309 nan 4.320 nan 0.000 0.216 120 A C 1.787 179.213 177.584 -0.264 0.000 1.186 120 A CA 3.306 55.211 52.037 -0.220 0.000 0.620 120 A CB -0.330 18.518 19.000 -0.253 0.000 0.822 120 A HN 0.119 8.163 8.150 -0.162 0.009 0.443 121 T N -4.924 109.490 114.554 -0.234 0.000 3.113 121 T HA 0.043 nan 4.350 nan 0.000 0.256 121 T C 2.286 176.963 174.700 -0.039 0.000 1.131 121 T CA 2.310 64.279 62.100 -0.219 0.000 1.074 121 T CB -0.589 68.174 68.868 -0.175 0.000 0.944 121 T HN -0.232 7.874 8.240 -0.223 0.000 0.516 122 G N 2.431 111.229 108.800 -0.004 0.000 2.402 122 G HA2 -0.303 nan 3.960 nan 0.000 0.216 122 G HA3 -0.303 nan 3.960 nan 0.000 0.216 122 G C 0.331 175.158 174.900 -0.122 0.000 1.162 122 G CA 1.918 47.075 45.100 0.095 0.000 0.777 122 G HN -0.071 8.072 8.290 -0.071 0.105 0.539 123 M N 2.478 121.917 119.600 -0.270 0.000 2.117 123 M HA -0.332 nan 4.480 nan 0.000 0.262 123 M C 1.943 178.039 176.300 -0.341 0.000 1.065 123 M CA 3.701 58.728 55.300 -0.454 0.000 1.114 123 M CB 0.116 32.366 32.600 -0.582 0.000 1.361 123 M HN -0.392 7.671 8.290 -0.255 0.074 0.408 124 L N -1.976 119.014 121.223 -0.388 0.000 2.093 124 L HA -0.368 nan 4.340 nan 0.000 0.208 124 L C 1.607 178.293 176.870 -0.307 0.000 1.085 124 L CA 2.651 57.137 54.840 -0.590 0.000 0.755 124 L CB -0.491 40.847 42.059 -1.202 0.000 0.904 124 L HN -0.087 7.908 8.230 -0.392 0.000 0.435 125 W N -0.111 121.056 121.300 -0.222 0.000 2.342 125 W HA -0.446 nan 4.660 nan 0.000 0.297 125 W C 0.932 177.473 176.519 0.036 0.000 1.213 125 W CA 1.763 59.147 57.345 0.064 0.000 1.251 125 W CB -0.615 28.866 29.460 0.035 0.000 1.136 125 W HN 0.102 8.219 8.180 0.084 0.113 0.526 126 D N -1.875 118.516 120.400 -0.016 0.000 2.123 126 D HA -0.302 nan 4.640 nan 0.000 0.200 126 D C 2.603 178.920 176.300 0.030 0.000 0.976 126 D CA 3.490 57.442 54.000 -0.079 0.000 0.831 126 D CB -0.177 40.588 40.800 -0.059 0.000 0.974 126 D HN -0.378 7.860 8.370 -0.070 0.091 0.469 127 S N 1.043 116.759 115.700 0.027 0.000 2.370 127 S HA -0.315 nan 4.470 nan 0.000 0.226 127 S C -0.122 174.527 174.600 0.081 0.000 1.033 127 S CA 2.804 61.029 58.200 0.043 0.000 1.011 127 S CB 0.027 63.219 63.200 -0.014 0.000 0.852 127 S HN -0.289 7.914 8.310 -0.031 0.088 0.457 128 A N -1.137 121.779 122.820 0.159 0.000 2.477 128 A HA -0.020 nan 4.320 nan 0.000 0.246 128 A C -0.150 177.500 177.584 0.110 0.000 1.078 128 A CA 0.436 52.584 52.037 0.186 0.000 0.770 128 A CB 0.614 19.803 19.000 0.316 0.000 1.011 128 A HN -0.619 7.625 8.150 0.192 0.021 0.494 129 Q N 0.209 120.044 119.800 0.059 0.000 2.396 129 Q HA -0.029 nan 4.340 nan 0.000 0.220 129 Q C 0.125 176.137 176.000 0.020 0.000 0.900 129 Q CA 0.305 56.117 55.803 0.016 0.000 0.925 129 Q CB 0.520 29.247 28.738 -0.018 0.000 1.065 129 Q HN 0.691 8.995 8.270 0.057 0.000 0.535 130 A N -0.466 122.369 122.820 0.024 0.000 2.477 130 A HA -0.040 nan 4.320 nan 0.000 0.246 130 A C 0.240 177.839 177.584 0.024 0.000 1.078 130 A CA 0.277 52.321 52.037 0.012 0.000 0.770 130 A CB 0.758 19.751 19.000 -0.011 0.000 1.011 130 A HN -0.243 7.924 8.150 0.028 0.000 0.494 131 A N 4.241 127.077 122.820 0.026 0.000 1.930 131 A HA -0.300 nan 4.320 nan 0.000 0.217 131 A C 2.236 179.803 177.584 -0.029 0.000 1.175 131 A CA 3.149 55.205 52.037 0.032 0.000 0.627 131 A CB -0.546 18.485 19.000 0.051 0.000 0.815 131 A HN 0.755 8.923 8.150 0.030 0.000 0.443 132 E N -1.329 118.833 120.200 -0.064 0.000 2.072 132 E HA -0.457 nan 4.350 nan 0.000 0.191 132 E C 2.182 178.734 176.600 -0.081 0.000 0.985 132 E CA 3.455 59.815 56.400 -0.065 0.000 0.801 132 E CB -0.565 29.101 29.700 -0.057 0.000 0.750 132 E HN 0.226 8.548 8.360 -0.063 0.000 0.452 133 Q N -0.274 119.464 119.800 -0.104 0.000 2.119 133 Q HA -0.283 nan 4.340 nan 0.000 0.201 133 Q C 2.238 178.093 176.000 -0.241 0.000 0.972 133 Q CA 3.162 58.831 55.803 -0.223 0.000 0.847 133 Q CB -0.236 28.409 28.738 -0.155 0.000 0.903 133 Q HN -0.103 8.125 8.270 -0.069 0.000 0.433 134 K N -1.073 119.317 120.400 -0.018 0.000 2.063 134 K HA -0.418 nan 4.320 nan 0.000 0.208 134 K C 2.553 179.100 176.600 -0.087 0.000 1.048 134 K CA 3.541 59.889 56.287 0.101 0.000 0.928 134 K CB -0.360 32.249 32.500 0.182 0.000 0.713 134 K HN -0.240 8.017 8.250 0.011 0.000 0.442 135 N N -0.710 117.921 118.700 -0.114 0.000 2.188 135 N HA -0.220 nan 4.740 nan 0.000 0.184 135 N C 2.219 177.639 175.510 -0.149 0.000 1.018 135 N CA 2.924 55.890 53.050 -0.140 0.000 0.858 135 N CB -0.272 38.181 38.487 -0.057 0.000 0.989 135 N HN -0.191 8.061 8.380 -0.073 0.084 0.426 136 G N -0.487 108.213 108.800 -0.167 0.000 2.446 136 G HA2 -0.296 nan 3.960 nan 0.000 0.217 136 G HA3 -0.296 nan 3.960 nan 0.000 0.217 136 G C 1.546 176.350 174.900 -0.161 0.000 1.168 136 G CA 2.372 47.366 45.100 -0.177 0.000 0.771 136 G HN 0.133 8.226 8.290 -0.183 0.087 0.551 137 Y N 0.773 121.010 120.300 -0.105 0.000 2.373 137 Y HA -0.088 nan 4.550 nan 0.000 0.293 137 Y C 2.115 177.874 175.900 -0.236 0.000 1.129 137 Y CA 1.190 59.209 58.100 -0.135 0.000 1.226 137 Y CB -0.525 37.907 38.460 -0.047 0.000 1.000 137 Y HN -0.607 7.479 8.280 -0.324 0.000 0.549 138 L N -0.198 120.891 121.223 -0.222 0.000 2.017 138 L HA -0.500 nan 4.340 nan 0.000 0.208 138 L C 1.675 178.308 176.870 -0.395 0.000 1.073 138 L CA 3.150 57.707 54.840 -0.471 0.000 0.745 138 L CB -0.593 41.093 42.059 -0.622 0.000 0.894 138 L HN 0.114 8.220 8.230 -0.207 0.000 0.432 139 A N -2.258 120.360 122.820 -0.337 0.000 1.917 139 A HA -0.481 nan 4.320 nan 0.000 0.219 139 A C 1.915 179.318 177.584 -0.302 0.000 1.182 139 A CA 3.151 54.951 52.037 -0.396 0.000 0.633 139 A CB -0.989 17.902 19.000 -0.181 0.000 0.819 139 A HN -0.282 7.710 8.150 -0.264 0.000 0.448 140 Q N -1.570 118.088 119.800 -0.236 0.000 2.119 140 Q HA -0.274 nan 4.340 nan 0.000 0.201 140 Q C 2.216 178.032 176.000 -0.307 0.000 0.972 140 Q CA 2.973 58.566 55.803 -0.350 0.000 0.847 140 Q CB 0.171 28.633 28.738 -0.461 0.000 0.903 140 Q HN -0.615 7.541 8.270 -0.190 0.000 0.433 141 V N 1.797 121.569 119.914 -0.238 0.000 2.250 141 V HA -0.462 nan 4.120 nan 0.000 0.250 141 V C 2.258 178.241 176.094 -0.185 0.000 1.060 141 V CA 4.722 66.912 62.300 -0.183 0.000 1.030 141 V CB -0.928 30.814 31.823 -0.134 0.000 0.643 141 V HN 0.032 8.017 8.190 -0.221 0.072 0.445 142 L N -2.630 118.448 121.223 -0.241 0.000 2.093 142 L HA -0.366 nan 4.340 nan 0.000 0.208 142 L C 2.407 179.232 176.870 -0.075 0.000 1.085 142 L CA 3.209 57.937 54.840 -0.187 0.000 0.755 142 L CB -1.666 40.140 42.059 -0.421 0.000 0.904 142 L HN -0.341 7.698 8.230 -0.319 0.000 0.435 143 D N -0.390 119.943 120.400 -0.112 0.000 2.144 143 D HA -0.250 nan 4.640 nan 0.000 0.200 143 D C 2.635 178.670 176.300 -0.441 0.000 0.978 143 D CA 3.691 57.602 54.000 -0.149 0.000 0.833 143 D CB -0.484 40.309 40.800 -0.011 0.000 0.961 143 D HN 0.057 8.234 8.370 -0.180 0.085 0.470 144 E N -0.501 119.517 120.200 -0.304 0.000 2.216 144 E HA -0.141 nan 4.350 nan 0.000 0.192 144 E C 2.686 179.227 176.600 -0.099 0.000 0.988 144 E CA 2.122 58.394 56.400 -0.213 0.000 0.834 144 E CB -0.288 29.309 29.700 -0.173 0.000 0.772 144 E HN -0.243 7.949 8.360 -0.252 0.017 0.479 145 I N 0.480 120.996 120.570 -0.091 0.000 2.226 145 I HA -0.519 nan 4.170 nan 0.000 0.245 145 I C 1.579 177.707 176.117 0.019 0.000 1.100 145 I CA 4.025 65.295 61.300 -0.049 0.000 1.374 145 I CB -0.506 37.504 38.000 0.017 0.000 1.057 145 I HN -0.169 7.973 8.210 -0.112 0.000 0.413 146 R N -0.400 120.145 120.500 0.074 0.000 2.080 146 R HA -0.481 nan 4.340 nan 0.000 0.236 146 R C 2.185 178.644 176.300 0.266 0.000 1.137 146 R CA 3.987 60.202 56.100 0.192 0.000 0.943 146 R CB -0.245 30.160 30.300 0.175 0.000 0.846 146 R HN -0.430 7.760 8.270 0.009 0.086 0.431 147 H N -1.891 117.234 119.070 0.092 0.000 2.387 147 H HA -0.274 nan 4.556 nan 0.000 0.299 147 H C 2.539 177.929 175.328 0.103 0.000 1.099 147 H CA 2.771 58.865 56.048 0.077 0.000 1.315 147 H CB -0.043 29.756 29.762 0.062 0.000 1.380 147 H HN 0.039 8.344 8.280 0.042 0.000 0.513 148 T N 1.939 116.610 114.554 0.194 0.000 2.684 148 T HA -0.319 nan 4.350 nan 0.000 0.267 148 T C 2.056 176.846 174.700 0.150 0.000 1.036 148 T CA 5.424 67.604 62.100 0.133 0.000 1.148 148 T CB -0.585 68.299 68.868 0.027 0.000 0.863 148 T HN 0.224 8.552 8.240 0.147 0.000 0.436 149 H N 1.553 120.766 119.070 0.238 0.000 2.470 149 H HA -0.116 nan 4.556 nan 0.000 0.289 149 H C 2.381 177.880 175.328 0.285 0.000 1.033 149 H CA 2.752 58.943 56.048 0.237 0.000 1.331 149 H CB -0.027 29.857 29.762 0.204 0.000 1.414 149 H HN -0.378 7.883 8.280 0.126 0.094 0.545 150 Q N 0.524 120.537 119.800 0.355 0.000 2.020 150 Q HA -0.349 nan 4.340 nan 0.000 0.202 150 Q C 2.373 178.581 176.000 0.347 0.000 0.982 150 Q CA 3.841 59.816 55.803 0.288 0.000 0.838 150 Q CB 0.097 28.933 28.738 0.164 0.000 0.899 150 Q HN 0.122 8.588 8.270 0.326 0.000 0.423 151 C N -1.059 118.427 119.300 0.309 0.000 2.425 151 C HA -0.271 nan 4.460 nan 0.000 0.277 151 C C 2.449 177.663 174.990 0.373 0.000 1.280 151 C CA 3.658 62.889 59.018 0.354 0.000 1.744 151 C CB -1.758 26.162 27.740 0.299 0.000 1.989 151 C HN 0.149 8.533 8.230 0.257 0.000 0.491 152 A N 0.533 123.563 122.820 0.350 0.000 1.933 152 A HA -0.293 nan 4.320 nan 0.000 0.218 152 A C 1.229 179.052 177.584 0.399 0.000 1.175 152 A CA 3.091 55.333 52.037 0.341 0.000 0.628 152 A CB -1.069 18.122 19.000 0.318 0.000 0.814 152 A HN 0.134 8.481 8.150 0.328 0.000 0.444 153 Y N -1.031 119.454 120.300 0.308 0.000 2.352 153 Y HA -0.391 nan 4.550 nan 0.000 0.292 153 Y C 1.942 178.066 175.900 0.373 0.000 1.136 153 Y CA 4.073 62.376 58.100 0.338 0.000 1.227 153 Y CB 0.321 38.976 38.460 0.325 0.000 0.991 153 Y HN -0.179 8.334 8.280 0.538 0.090 0.545 154 V N 0.090 120.298 119.914 0.490 0.000 2.358 154 V HA -0.555 nan 4.120 nan 0.000 0.246 154 V C 1.827 178.168 176.094 0.411 0.000 1.047 154 V CA 4.646 67.190 62.300 0.406 0.000 1.035 154 V CB -1.096 30.991 31.823 0.441 0.000 0.658 154 V HN -0.037 8.361 8.190 0.496 0.090 0.452 155 N N -0.189 118.761 118.700 0.416 0.000 2.216 155 N HA -0.262 nan 4.740 nan 0.000 0.183 155 N C 1.817 177.483 175.510 0.259 0.000 1.017 155 N CA 3.223 56.515 53.050 0.404 0.000 0.861 155 N CB -0.040 38.683 38.487 0.393 0.000 0.986 155 N HN -0.627 8.000 8.380 0.412 0.000 0.428 156 Y N 2.463 122.821 120.300 0.096 0.000 2.081 156 Y HA -0.512 nan 4.550 nan 0.000 0.280 156 Y C 1.756 177.591 175.900 -0.108 0.000 1.163 156 Y CA 4.608 62.680 58.100 -0.046 0.000 1.135 156 Y CB 0.013 38.358 38.460 -0.192 0.000 0.970 156 Y HN 0.193 8.698 8.280 0.375 0.000 0.498 157 Y N -0.700 119.485 120.300 -0.191 0.000 2.220 157 Y HA -0.480 nan 4.550 nan 0.000 0.291 157 Y C 1.620 177.333 175.900 -0.311 0.000 1.129 157 Y CA 4.055 61.982 58.100 -0.288 0.000 1.161 157 Y CB 0.305 38.634 38.460 -0.218 0.000 0.997 157 Y HN -0.093 8.299 8.280 0.186 0.000 0.522 158 F N -2.099 117.822 119.950 -0.048 0.000 2.293 158 F HA -0.398 nan 4.527 nan 0.000 0.300 158 F C 2.156 177.747 175.800 -0.348 0.000 1.086 158 F CA 3.494 61.321 58.000 -0.288 0.000 1.375 158 F CB -0.642 37.898 39.000 -0.767 0.000 1.045 158 F HN -0.262 8.056 8.300 0.030 0.000 0.516 159 A N -1.017 121.740 122.820 -0.105 0.000 1.873 159 A HA -0.261 nan 4.320 nan 0.000 0.215 159 A C 1.647 179.140 177.584 -0.151 0.000 1.186 159 A CA 2.741 54.748 52.037 -0.050 0.000 0.616 159 A CB -0.859 18.124 19.000 -0.029 0.000 0.823 159 A HN 0.071 8.168 8.150 -0.088 0.000 0.442 160 K N -1.460 118.753 120.400 -0.312 0.000 2.057 160 K HA -0.236 nan 4.320 nan 0.000 0.207 160 K C 1.472 177.892 176.600 -0.301 0.000 1.049 160 K CA 2.538 58.603 56.287 -0.370 0.000 0.931 160 K CB 0.396 32.551 32.500 -0.576 0.000 0.714 160 K HN -0.164 7.861 8.250 -0.377 0.000 0.440 161 N N -5.513 112.982 118.700 -0.342 0.000 2.159 161 N HA 0.126 nan 4.740 nan 0.000 0.217 161 N C -1.010 174.449 175.510 -0.085 0.000 1.223 161 N CA -0.185 52.698 53.050 -0.278 0.000 0.896 161 N CB 2.311 40.490 38.487 -0.514 0.000 1.064 161 N HN 0.073 8.233 8.380 -0.366 0.000 0.518 162 G N -0.470 108.337 108.800 0.011 0.000 2.705 162 G HA2 0.311 nan 3.960 nan 0.000 0.299 162 G HA3 0.311 nan 3.960 nan 0.000 0.299 162 G C -0.942 174.018 174.900 0.100 0.000 1.315 162 G CA -0.861 44.329 45.100 0.151 0.000 1.045 162 G HN -0.644 7.629 8.290 -0.027 0.000 0.517 163 Q N -2.446 117.426 119.800 0.119 0.000 2.432 163 Q HA -0.150 nan 4.340 nan 0.000 0.205 163 Q C -0.192 175.853 176.000 0.074 0.000 0.945 163 Q CA 1.319 57.170 55.803 0.079 0.000 0.924 163 Q CB 0.450 29.229 28.738 0.069 0.000 1.016 163 Q HN 0.370 8.735 8.270 0.157 0.000 0.503 164 D N -0.974 119.489 120.400 0.105 0.000 2.337 164 D HA 0.392 nan 4.640 nan 0.000 0.238 164 D C -1.864 174.542 176.300 0.176 0.000 1.331 164 D CA -2.411 51.652 54.000 0.104 0.000 0.967 164 D CB 1.022 41.866 40.800 0.073 0.000 1.382 164 D HN -0.444 7.975 8.370 0.137 0.033 0.549 165 P HA -0.030 nan 4.420 nan 0.000 0.225 165 P C -0.749 176.652 177.300 0.168 0.000 1.156 165 P CA 0.466 63.668 63.100 0.171 0.000 0.787 165 P CB 0.515 32.257 31.700 0.071 0.000 0.802 166 A N -2.475 120.409 122.820 0.107 0.000 2.548 166 A HA -0.291 nan 4.320 nan 0.000 0.247 166 A C 0.413 178.055 177.584 0.098 0.000 1.067 166 A CA 1.336 53.424 52.037 0.084 0.000 0.757 166 A CB -0.375 18.658 19.000 0.055 0.000 0.996 166 A HN -0.686 7.621 8.150 0.089 -0.103 0.504 167 G N 4.640 113.521 108.800 0.135 0.000 2.454 167 G HA2 -0.513 nan 3.960 nan 0.000 0.225 167 G HA3 -0.513 nan 3.960 nan 0.000 0.225 167 G C 0.876 175.907 174.900 0.218 0.000 1.138 167 G CA 1.558 46.811 45.100 0.255 0.000 0.667 167 G HN 0.166 8.690 8.290 0.111 -0.167 0.512 168 H N 3.454 122.626 119.070 0.171 0.000 2.428 168 H HA -0.098 nan 4.556 nan 0.000 0.296 168 H C 1.440 176.841 175.328 0.122 0.000 1.062 168 H CA 3.147 59.290 56.048 0.159 0.000 1.350 168 H CB 0.020 29.870 29.762 0.146 0.000 1.403 168 H HN -0.214 8.079 8.280 0.151 0.078 0.533 169 N N -2.096 116.726 118.700 0.204 0.000 2.467 169 N HA -0.096 nan 4.740 nan 0.000 0.184 169 N C -0.358 175.190 175.510 0.063 0.000 1.106 169 N CA 1.096 54.212 53.050 0.110 0.000 0.892 169 N CB 0.677 39.205 38.487 0.068 0.000 0.969 169 N HN 0.029 8.524 8.380 0.212 0.012 0.454 170 D N -5.067 115.357 120.400 0.039 0.000 2.640 170 D HA 0.101 nan 4.640 nan 0.000 0.282 170 D C 0.060 176.281 176.300 -0.132 0.000 1.558 170 D CA -0.182 53.799 54.000 -0.033 0.000 0.820 170 D CB -1.022 39.759 40.800 -0.030 0.000 1.243 170 D HN -0.706 7.649 8.370 0.069 0.057 0.456 171 A N 1.078 123.799 122.820 -0.165 0.000 1.986 171 A HA -0.396 nan 4.320 nan 0.000 0.220 171 A C 1.649 178.933 177.584 -0.500 0.000 1.171 171 A CA 3.136 54.876 52.037 -0.496 0.000 0.640 171 A CB -0.595 18.218 19.000 -0.312 0.000 0.811 171 A HN -0.263 7.864 8.150 -0.040 0.000 0.451 172 R N -3.030 117.301 120.500 -0.282 0.000 2.241 172 R HA -0.269 nan 4.340 nan 0.000 0.224 172 R C 1.787 177.929 176.300 -0.265 0.000 1.101 172 R CA 2.712 58.653 56.100 -0.264 0.000 0.995 172 R CB -0.189 30.029 30.300 -0.137 0.000 0.870 172 R HN 0.365 8.513 8.270 -0.172 0.018 0.463 173 R N -3.826 116.530 120.500 -0.239 0.000 2.310 173 R HA 0.153 nan 4.340 nan 0.000 0.199 173 R C 1.629 177.805 176.300 -0.207 0.000 0.891 173 R CA 1.949 57.942 56.100 -0.178 0.000 1.060 173 R CB 0.736 30.974 30.300 -0.105 0.000 1.188 173 R HN -0.171 7.819 8.270 -0.229 0.143 0.607 174 T N -1.840 112.551 114.554 -0.273 0.000 3.055 174 T HA 0.161 nan 4.350 nan 0.000 0.265 174 T C 2.192 176.662 174.700 -0.383 0.000 1.111 174 T CA 2.694 64.651 62.100 -0.239 0.000 1.118 174 T CB -0.756 68.034 68.868 -0.130 0.000 0.909 174 T HN 0.499 8.568 8.240 -0.285 0.000 0.501 175 R N 0.407 120.452 120.500 -0.759 0.000 2.159 175 R HA -0.298 nan 4.340 nan 0.000 0.237 175 R C 1.788 177.843 176.300 -0.408 0.000 1.131 175 R CA 2.944 58.606 56.100 -0.730 0.000 0.982 175 R CB -1.041 28.488 30.300 -1.285 0.000 0.868 175 R HN 0.265 7.921 8.270 -0.842 0.109 0.453 176 T N -3.646 110.729 114.554 -0.297 0.000 3.098 176 T HA -0.069 nan 4.350 nan 0.000 0.266 176 T C 0.962 175.727 174.700 0.107 0.000 1.145 176 T CA 2.147 64.243 62.100 -0.006 0.000 1.092 176 T CB -0.806 68.073 68.868 0.018 0.000 0.908 176 T HN -0.575 7.435 8.240 -0.322 0.036 0.526 177 I N -0.642 119.970 120.570 0.070 0.000 2.500 177 I HA -0.022 nan 4.170 nan 0.000 0.252 177 I C 0.286 176.498 176.117 0.159 0.000 1.142 177 I CA 1.988 63.348 61.300 0.100 0.000 1.451 177 I CB 0.241 38.249 38.000 0.014 0.000 1.093 177 I HN -0.773 7.381 8.210 0.012 0.063 0.430 178 G N -2.941 105.973 108.800 0.191 0.000 2.489 178 G HA2 0.489 nan 3.960 nan 0.000 0.327 178 G HA3 0.489 nan 3.960 nan 0.000 0.327 178 G C -1.891 173.130 174.900 0.200 0.000 1.189 178 G CA -2.148 43.060 45.100 0.180 0.000 0.962 178 G HN -0.680 7.745 8.290 0.225 0.000 0.486 179 P HA -0.152 nan 4.420 nan 0.000 0.218 179 P C 0.881 178.282 177.300 0.168 0.000 1.149 179 P CA 1.906 65.043 63.100 0.061 0.000 0.817 179 P CB 0.284 31.969 31.700 -0.025 0.000 0.785 180 L N -3.401 117.997 121.223 0.292 0.000 2.275 180 L HA -0.098 nan 4.340 nan 0.000 0.215 180 L C 2.237 179.392 176.870 0.475 0.000 1.119 180 L CA 0.911 55.995 54.840 0.406 0.000 0.790 180 L CB -1.254 41.079 42.059 0.456 0.000 0.919 180 L HN -0.098 8.319 8.230 0.312 0.000 0.443 181 W N -0.065 121.363 121.300 0.213 0.000 2.381 181 W HA -0.430 nan 4.660 nan 0.000 0.301 181 W C 0.601 176.989 176.519 -0.218 0.000 1.205 181 W CA 2.817 60.105 57.345 -0.094 0.000 1.285 181 W CB 0.182 29.629 29.460 -0.021 0.000 1.133 181 W HN -0.643 7.863 8.180 0.584 0.024 0.521 182 K N -2.237 118.012 120.400 -0.252 0.000 2.044 182 K HA -0.372 nan 4.320 nan 0.000 0.210 182 K C 2.531 178.857 176.600 -0.456 0.000 1.049 182 K CA 3.007 59.050 56.287 -0.407 0.000 0.927 182 K CB -0.949 31.435 32.500 -0.193 0.000 0.713 182 K HN -0.660 7.597 8.250 0.012 0.000 0.443 183 G N -3.599 104.998 108.800 -0.339 0.000 2.443 183 G HA2 -0.199 nan 3.960 nan 0.000 0.219 183 G HA3 -0.199 nan 3.960 nan 0.000 0.219 183 G C 0.751 174.897 174.900 -1.256 0.000 1.131 183 G CA 1.891 46.663 45.100 -0.547 0.000 0.775 183 G HN -0.315 7.893 8.290 -0.136 0.000 0.547 184 M N 1.593 120.471 119.600 -1.203 0.000 2.132 184 M HA -0.224 nan 4.480 nan 0.000 0.263 184 M C 1.373 177.152 176.300 -0.869 0.000 1.065 184 M CA 1.716 56.332 55.300 -1.140 0.000 1.122 184 M CB -0.488 31.682 32.600 -0.716 0.000 1.365 184 M HN -0.435 7.291 8.290 -0.753 0.112 0.411 185 K N -1.227 118.585 120.400 -0.981 0.000 2.147 185 K HA -0.409 nan 4.320 nan 0.000 0.205 185 K C 2.252 178.545 176.600 -0.511 0.000 1.049 185 K CA 3.677 59.485 56.287 -0.798 0.000 0.936 185 K CB -0.515 31.443 32.500 -0.905 0.000 0.722 185 K HN -0.068 7.493 8.250 -1.148 0.000 0.446 186 R N -0.676 119.538 120.500 -0.477 0.000 2.062 186 R HA -0.155 nan 4.340 nan 0.000 0.231 186 R C 2.513 178.637 176.300 -0.293 0.000 1.136 186 R CA 2.969 58.890 56.100 -0.298 0.000 0.948 186 R CB -0.156 30.009 30.300 -0.225 0.000 0.845 186 R HN -0.534 7.290 8.270 -0.568 0.105 0.430 187 V N -4.693 114.980 119.914 -0.401 0.000 2.407 187 V HA -0.115 nan 4.120 nan 0.000 0.245 187 V C 1.785 177.702 176.094 -0.294 0.000 1.041 187 V CA 3.556 65.710 62.300 -0.244 0.000 1.040 187 V CB -0.483 31.150 31.823 -0.317 0.000 0.671 187 V HN -0.470 7.364 8.190 -0.593 0.000 0.455 188 F N -3.551 115.947 119.950 -0.753 0.000 2.678 188 F HA 0.394 nan 4.527 nan 0.000 0.305 188 F C -0.355 174.957 175.800 -0.813 0.000 1.090 188 F CA -0.887 56.463 58.000 -1.083 0.000 1.272 188 F CB 0.874 39.620 39.000 -0.424 0.000 1.060 188 F HN 0.242 8.352 8.300 -0.317 0.000 0.576 189 S N -0.330 115.111 115.700 -0.431 0.000 3.226 189 S HA 0.140 nan 4.470 nan 0.000 0.195 189 S C 1.882 176.389 174.600 -0.155 0.000 0.793 189 S CA 1.598 59.669 58.200 -0.214 0.000 0.816 189 S CB 1.244 64.332 63.200 -0.188 0.000 0.847 189 S HN -0.564 7.405 8.310 -0.419 0.089 0.630 190 D N 3.019 123.321 120.400 -0.164 0.000 2.144 190 D HA -0.147 nan 4.640 nan 0.000 0.199 190 D C 2.247 178.518 176.300 -0.048 0.000 0.984 190 D CA 3.491 57.435 54.000 -0.092 0.000 0.834 190 D CB -0.137 40.602 40.800 -0.102 0.000 0.955 190 D HN 0.276 8.513 8.370 -0.222 0.000 0.465 191 G N -0.919 107.831 108.800 -0.084 0.000 2.462 191 G HA2 -0.241 nan 3.960 nan 0.000 0.220 191 G HA3 -0.241 nan 3.960 nan 0.000 0.220 191 G C 0.527 175.536 174.900 0.181 0.000 1.121 191 G CA 1.742 46.853 45.100 0.019 0.000 0.758 191 G HN 0.017 8.205 8.290 -0.170 0.000 0.559 192 F N -2.479 117.432 119.950 -0.065 0.000 2.512 192 F HA -0.028 nan 4.527 nan 0.000 0.296 192 F C 0.421 176.152 175.800 -0.115 0.000 1.110 192 F CA -0.365 57.572 58.000 -0.106 0.000 1.446 192 F CB 0.861 39.768 39.000 -0.155 0.000 1.092 192 F HN -0.672 7.515 8.300 0.045 0.140 0.554 193 I N -9.656 110.963 120.570 0.082 0.000 4.624 193 I HA 0.150 nan 4.170 nan 0.000 0.327 193 I C -0.003 176.089 176.117 -0.043 0.000 1.295 193 I CA -0.259 61.028 61.300 -0.022 0.000 1.267 193 I CB 2.575 40.559 38.000 -0.027 0.000 1.249 193 I HN -0.717 7.426 8.210 0.080 0.115 0.440 194 S N 3.054 118.743 115.700 -0.019 0.000 2.434 194 S HA 0.260 nan 4.470 nan 0.000 0.318 194 S C -0.738 173.850 174.600 -0.020 0.000 1.062 194 S CA -0.305 57.878 58.200 -0.029 0.000 1.116 194 S CB -0.518 62.656 63.200 -0.043 0.000 0.977 194 S HN -0.039 8.270 8.310 -0.001 0.000 0.480 195 G N 4.706 113.495 108.800 -0.018 0.000 2.352 195 G HA2 -0.196 nan 3.960 nan 0.000 0.283 195 G HA3 -0.196 nan 3.960 nan 0.000 0.283 195 G C -2.362 172.540 174.900 0.003 0.000 1.308 195 G CA 0.040 45.137 45.100 -0.004 0.000 0.892 195 G HN -0.715 7.559 8.290 -0.026 0.000 0.504 196 D N 0.893 121.305 120.400 0.021 0.000 2.525 196 D HA -0.112 nan 4.640 nan 0.000 0.235 196 D C 1.010 177.323 176.300 0.023 0.000 1.137 196 D CA 0.352 54.377 54.000 0.042 0.000 0.868 196 D CB 0.446 41.294 40.800 0.080 0.000 1.180 196 D HN -0.023 8.360 8.370 0.023 0.000 0.465 197 A N 6.215 129.033 122.820 -0.004 0.000 1.986 197 A HA -0.296 nan 4.320 nan 0.000 0.220 197 A C 1.916 179.460 177.584 -0.067 0.000 1.171 197 A CA 3.088 55.076 52.037 -0.081 0.000 0.640 197 A CB -0.084 18.852 19.000 -0.108 0.000 0.811 197 A HN 0.616 8.781 8.150 0.024 0.000 0.451 198 V N -1.773 118.133 119.914 -0.014 0.000 2.453 198 V HA -0.413 nan 4.120 nan 0.000 0.247 198 V C 1.601 177.690 176.094 -0.008 0.000 1.048 198 V CA 4.311 66.564 62.300 -0.078 0.000 1.049 198 V CB -0.763 30.890 31.823 -0.283 0.000 0.672 198 V HN -0.234 8.228 8.190 0.059 -0.237 0.457 199 E N 0.276 120.517 120.200 0.068 0.000 2.051 199 E HA -0.402 nan 4.350 nan 0.000 0.192 199 E C 1.798 178.444 176.600 0.076 0.000 0.991 199 E CA 3.506 59.966 56.400 0.100 0.000 0.799 199 E CB -0.100 29.667 29.700 0.112 0.000 0.748 199 E HN -0.500 7.830 8.360 0.093 0.086 0.449 200 C N -0.690 118.628 119.300 0.031 0.000 2.401 200 C HA -0.301 nan 4.460 nan 0.000 0.276 200 C C 2.443 177.415 174.990 -0.031 0.000 1.233 200 C CA 4.100 63.124 59.018 0.011 0.000 1.753 200 C CB -2.022 25.683 27.740 -0.059 0.000 2.029 200 C HN -0.028 8.211 8.230 0.015 0.000 0.478 201 S N -0.262 115.400 115.700 -0.064 0.000 2.382 201 S HA -0.240 nan 4.470 nan 0.000 0.228 201 S C 1.796 176.404 174.600 0.013 0.000 1.027 201 S CA 3.566 61.724 58.200 -0.071 0.000 0.991 201 S CB -0.442 62.714 63.200 -0.074 0.000 0.823 201 S HN -0.151 8.043 8.310 -0.067 0.076 0.469 202 L N 1.112 122.378 121.223 0.072 0.000 2.131 202 L HA -0.357 nan 4.340 nan 0.000 0.206 202 L C 1.772 178.758 176.870 0.195 0.000 1.087 202 L CA 2.904 57.838 54.840 0.157 0.000 0.767 202 L CB -0.630 41.533 42.059 0.173 0.000 0.917 202 L HN 0.049 8.220 8.230 0.056 0.093 0.441 203 N N -0.159 118.651 118.700 0.184 0.000 2.084 203 N HA -0.276 nan 4.740 nan 0.000 0.190 203 N C 2.656 178.319 175.510 0.254 0.000 1.030 203 N CA 3.480 56.691 53.050 0.267 0.000 0.849 203 N CB 0.037 38.716 38.487 0.320 0.000 1.012 203 N HN -0.157 8.313 8.380 0.149 0.000 0.423 204 L N -0.210 120.991 121.223 -0.037 0.000 2.022 204 L HA -0.246 nan 4.340 nan 0.000 0.204 204 L C 1.485 178.219 176.870 -0.226 0.000 1.076 204 L CA 3.838 58.363 54.840 -0.525 0.000 0.749 204 L CB 0.074 41.618 42.059 -0.859 0.000 0.903 204 L HN 0.388 8.596 8.230 -0.037 0.000 0.439 205 Q N -2.196 117.539 119.800 -0.108 0.000 2.178 205 Q HA -0.163 nan 4.340 nan 0.000 0.195 205 Q C 2.922 178.975 176.000 0.089 0.000 0.960 205 Q CA 3.039 58.832 55.803 -0.017 0.000 0.843 205 Q CB 0.362 29.115 28.738 0.025 0.000 0.927 205 Q HN 0.024 8.127 8.270 -0.089 0.113 0.487 206 L N -0.935 120.403 121.223 0.191 0.000 2.017 206 L HA -0.246 nan 4.340 nan 0.000 0.208 206 L C 2.220 179.353 176.870 0.439 0.000 1.073 206 L CA 3.430 58.492 54.840 0.369 0.000 0.745 206 L CB -0.416 41.880 42.059 0.394 0.000 0.894 206 L HN -0.310 8.013 8.230 0.155 0.000 0.432 207 V N -3.343 116.761 119.914 0.317 0.000 2.599 207 V HA 0.002 nan 4.120 nan 0.000 0.237 207 V C 2.092 178.226 176.094 0.067 0.000 1.081 207 V CA 3.795 66.187 62.300 0.154 0.000 1.107 207 V CB -0.156 31.810 31.823 0.239 0.000 0.808 207 V HN 0.528 8.882 8.190 0.273 0.000 0.486 208 G N 0.110 109.055 108.800 0.241 0.000 2.586 208 G HA2 -0.399 nan 3.960 nan 0.000 0.218 208 G HA3 -0.399 nan 3.960 nan 0.000 0.218 208 G C 1.202 176.227 174.900 0.209 0.000 1.216 208 G CA 2.703 48.031 45.100 0.380 0.000 0.786 208 G HN 0.127 8.470 8.290 0.261 0.103 0.583 209 E N 2.105 122.333 120.200 0.046 0.000 2.072 209 E HA -0.273 nan 4.350 nan 0.000 0.190 209 E C 2.424 178.925 176.600 -0.164 0.000 0.982 209 E CA 2.862 59.245 56.400 -0.027 0.000 0.803 209 E CB 0.058 29.736 29.700 -0.036 0.000 0.755 209 E HN 0.218 8.485 8.360 0.011 0.100 0.453 210 A N -1.434 121.227 122.820 -0.266 0.000 1.970 210 A HA -0.110 nan 4.320 nan 0.000 0.216 210 A C 1.560 178.888 177.584 -0.426 0.000 1.170 210 A CA 2.653 54.397 52.037 -0.487 0.000 0.645 210 A CB -0.344 18.072 19.000 -0.972 0.000 0.816 210 A HN -0.394 7.646 8.150 -0.184 0.000 0.447 211 C N -3.098 115.857 119.300 -0.576 0.000 2.507 211 C HA 0.109 nan 4.460 nan 0.000 0.280 211 C C 0.663 175.079 174.990 -0.957 0.000 1.345 211 C CA 1.420 59.846 59.018 -0.987 0.000 1.736 211 C CB 0.382 27.054 27.740 -1.779 0.000 2.060 211 C HN 0.009 7.853 8.230 -0.468 0.106 0.498 212 F N -3.691 116.082 119.950 -0.295 0.000 2.577 212 F HA 0.170 nan 4.527 nan 0.000 0.276 212 F C 1.444 177.056 175.800 -0.313 0.000 1.032 212 F CA 1.580 59.396 58.000 -0.306 0.000 1.297 212 F CB 1.350 40.119 39.000 -0.385 0.000 1.061 212 F HN -0.522 7.638 8.300 -0.234 0.000 0.680 213 T N 3.130 117.686 114.554 0.005 0.000 2.770 213 T HA -0.307 nan 4.350 nan 0.000 0.263 213 T C 1.815 176.455 174.700 -0.099 0.000 1.039 213 T CA 5.137 67.243 62.100 0.010 0.000 1.142 213 T CB -0.378 68.583 68.868 0.154 0.000 0.868 213 T HN 0.444 8.739 8.240 0.090 0.000 0.435 214 N N 1.290 119.893 118.700 -0.161 0.000 2.069 214 N HA -0.090 nan 4.740 nan 0.000 0.191 214 N C -0.430 174.927 175.510 -0.256 0.000 1.031 214 N CA 4.689 57.622 53.050 -0.194 0.000 0.852 214 N CB -1.384 36.970 38.487 -0.222 0.000 1.018 214 N HN -0.055 8.227 8.380 -0.163 0.000 0.423 215 P HA -0.190 nan 4.420 nan 0.000 0.216 215 P C 1.387 178.417 177.300 -0.449 0.000 1.153 215 P CA 2.430 65.094 63.100 -0.726 0.000 0.848 215 P CB -0.127 30.572 31.700 -1.668 0.000 0.787 216 L N -1.737 119.290 121.223 -0.327 0.000 2.046 216 L HA -0.296 nan 4.340 nan 0.000 0.208 216 L C 1.660 178.694 176.870 0.274 0.000 1.077 216 L CA 3.395 58.328 54.840 0.155 0.000 0.747 216 L CB -0.162 41.971 42.059 0.123 0.000 0.896 216 L HN -0.185 7.802 8.230 -0.405 0.000 0.432 217 I N -1.759 118.901 120.570 0.149 0.000 2.286 217 I HA -0.563 nan 4.170 nan 0.000 0.248 217 I C 1.379 177.688 176.117 0.320 0.000 1.115 217 I CA 4.339 65.789 61.300 0.250 0.000 1.392 217 I CB -0.338 37.660 38.000 -0.003 0.000 1.065 217 I HN -0.246 7.977 8.210 0.022 0.000 0.418 218 V N -1.103 118.928 119.914 0.195 0.000 2.407 218 V HA -0.361 nan 4.120 nan 0.000 0.245 218 V C 1.784 178.048 176.094 0.283 0.000 1.041 218 V CA 3.690 66.105 62.300 0.193 0.000 1.040 218 V CB -0.897 30.988 31.823 0.103 0.000 0.671 218 V HN -0.692 7.553 8.190 0.106 0.009 0.455 219 A N -0.570 122.490 122.820 0.399 0.000 1.877 219 A HA -0.304 nan 4.320 nan 0.000 0.216 219 A C 1.812 179.744 177.584 0.580 0.000 1.186 219 A CA 3.515 55.868 52.037 0.527 0.000 0.620 219 A CB -0.806 18.675 19.000 0.801 0.000 0.822 219 A HN -0.140 8.233 8.150 0.372 0.000 0.443 220 V N -2.220 118.097 119.914 0.670 0.000 2.370 220 V HA -0.524 nan 4.120 nan 0.000 0.252 220 V C 2.150 178.506 176.094 0.436 0.000 1.068 220 V CA 5.061 67.760 62.300 0.666 0.000 1.061 220 V CB -1.097 31.078 31.823 0.588 0.000 0.656 220 V HN 0.589 9.191 8.190 0.687 0.000 0.455 221 T N 0.105 114.852 114.554 0.322 0.000 2.821 221 T HA -0.277 nan 4.350 nan 0.000 0.267 221 T C 2.088 176.844 174.700 0.093 0.000 1.046 221 T CA 4.852 67.058 62.100 0.177 0.000 1.139 221 T CB -0.552 68.427 68.868 0.183 0.000 0.871 221 T HN -0.230 8.123 8.240 0.370 0.109 0.454 222 E N 2.232 122.500 120.200 0.113 0.000 2.046 222 E HA -0.262 nan 4.350 nan 0.000 0.190 222 E C 2.083 178.590 176.600 -0.155 0.000 0.982 222 E CA 3.348 59.726 56.400 -0.036 0.000 0.800 222 E CB -0.185 29.482 29.700 -0.054 0.000 0.756 222 E HN -0.471 7.909 8.360 0.215 0.109 0.449 223 W N -1.174 119.973 121.300 -0.256 0.000 2.374 223 W HA -0.291 nan 4.660 nan 0.000 0.288 223 W C 2.064 178.067 176.519 -0.859 0.000 1.218 223 W CA 3.807 60.871 57.345 -0.469 0.000 1.245 223 W CB -0.391 28.855 29.460 -0.356 0.000 1.126 223 W HN -0.073 8.320 8.180 0.354 0.000 0.545 224 A N -1.380 121.151 122.820 -0.482 0.000 1.858 224 A HA -0.351 nan 4.320 nan 0.000 0.216 224 A C 1.952 179.316 177.584 -0.367 0.000 1.190 224 A CA 2.835 54.525 52.037 -0.578 0.000 0.617 224 A CB -1.247 17.784 19.000 0.052 0.000 0.827 224 A HN 0.175 8.083 8.150 -0.096 0.185 0.443 225 A N -1.767 120.933 122.820 -0.200 0.000 1.917 225 A HA -0.312 nan 4.320 nan 0.000 0.219 225 A C 2.383 179.838 177.584 -0.215 0.000 1.182 225 A CA 2.763 54.706 52.037 -0.157 0.000 0.633 225 A CB -0.699 18.226 19.000 -0.124 0.000 0.819 225 A HN -0.047 8.018 8.150 -0.141 0.000 0.448 226 A N -2.334 120.312 122.820 -0.289 0.000 1.969 226 A HA -0.172 nan 4.320 nan 0.000 0.218 226 A C 0.932 178.378 177.584 -0.231 0.000 1.169 226 A CA 2.517 54.363 52.037 -0.317 0.000 0.635 226 A CB -0.216 18.572 19.000 -0.352 0.000 0.810 226 A HN 0.124 8.078 8.150 -0.314 0.008 0.445 227 N N -2.712 115.845 118.700 -0.237 0.000 2.314 227 N HA 0.103 nan 4.740 nan 0.000 0.200 227 N C -0.811 174.727 175.510 0.047 0.000 1.135 227 N CA -0.088 52.932 53.050 -0.050 0.000 0.835 227 N CB 0.303 38.666 38.487 -0.207 0.000 0.989 227 N HN -0.502 7.530 8.380 -0.420 0.096 0.478 228 G N -2.485 106.304 108.800 -0.018 0.000 2.176 228 G HA2 -0.479 nan 3.960 nan 0.000 0.232 228 G HA3 -0.479 nan 3.960 nan 0.000 0.232 228 G C -1.432 173.527 174.900 0.098 0.000 0.986 228 G CA -0.114 45.018 45.100 0.054 0.000 0.643 228 G HN -0.566 7.585 8.290 -0.108 0.075 0.522 229 D N 1.868 122.327 120.400 0.099 0.000 2.316 229 D HA 0.058 nan 4.640 nan 0.000 0.245 229 D C -0.346 176.029 176.300 0.125 0.000 1.171 229 D CA -0.230 53.906 54.000 0.227 0.000 0.856 229 D CB 0.418 41.470 40.800 0.421 0.000 1.090 229 D HN -0.329 7.979 8.370 -0.025 0.047 0.476 230 E N 3.621 123.883 120.200 0.104 0.000 2.526 230 E HA 0.169 nan 4.350 nan 0.000 0.208 230 E C 0.305 176.901 176.600 -0.006 0.000 0.997 230 E CA -0.525 55.895 56.400 0.034 0.000 0.961 230 E CB 0.752 30.461 29.700 0.014 0.000 1.030 230 E HN 0.283 8.719 8.360 0.128 0.000 0.483 231 I N 0.958 121.520 120.570 -0.012 0.000 2.235 231 I HA -0.406 nan 4.170 nan 0.000 0.241 231 I C 1.372 177.458 176.117 -0.052 0.000 1.085 231 I CA 5.036 66.239 61.300 -0.161 0.000 1.378 231 I CB -0.092 37.657 38.000 -0.418 0.000 1.076 231 I HN -0.113 8.302 8.210 0.080 -0.156 0.415 232 T N 1.718 116.306 114.554 0.056 0.000 2.746 232 T HA -0.068 nan 4.350 nan 0.000 0.267 232 T C -0.937 173.728 174.700 -0.059 0.000 1.039 232 T CA 6.310 68.372 62.100 -0.064 0.000 1.142 232 T CB -2.611 66.236 68.868 -0.035 0.000 0.866 232 T HN -0.302 8.349 8.240 0.193 -0.295 0.444 233 P HA -0.165 nan 4.420 nan 0.000 0.216 233 P C 1.662 178.985 177.300 0.039 0.000 1.150 233 P CA 3.448 66.573 63.100 0.042 0.000 0.837 233 P CB -0.484 31.230 31.700 0.023 0.000 0.786 234 T N 0.738 115.291 114.554 -0.001 0.000 2.777 234 T HA -0.206 nan 4.350 nan 0.000 0.266 234 T C 2.259 176.947 174.700 -0.020 0.000 1.040 234 T CA 4.334 66.414 62.100 -0.033 0.000 1.141 234 T CB -0.256 68.563 68.868 -0.082 0.000 0.868 234 T HN -0.482 7.663 8.240 -0.018 0.085 0.444 235 V N 1.936 121.875 119.914 0.042 0.000 2.273 235 V HA -0.237 nan 4.120 nan 0.000 0.242 235 V C 1.756 177.994 176.094 0.239 0.000 1.035 235 V CA 4.242 66.608 62.300 0.109 0.000 1.013 235 V CB -0.606 31.352 31.823 0.226 0.000 0.652 235 V HN -0.539 7.677 8.190 0.043 0.000 0.452 236 F N -1.741 118.210 119.950 0.002 0.000 2.234 236 F HA -0.198 nan 4.527 nan 0.000 0.299 236 F C 2.021 177.803 175.800 -0.030 0.000 1.087 236 F CA 1.545 59.545 58.000 -0.000 0.000 1.340 236 F CB -1.005 38.036 39.000 0.069 0.000 1.031 236 F HN 0.188 8.799 8.300 0.517 0.000 0.500 237 L N -2.298 119.023 121.223 0.163 0.000 2.275 237 L HA -0.218 nan 4.340 nan 0.000 0.215 237 L C 2.171 179.036 176.870 -0.008 0.000 1.119 237 L CA 1.744 56.619 54.840 0.059 0.000 0.790 237 L CB -1.277 40.807 42.059 0.042 0.000 0.919 237 L HN -0.527 7.814 8.230 0.185 0.000 0.443 238 S N -0.333 115.351 115.700 -0.026 0.000 2.414 238 S HA -0.167 nan 4.470 nan 0.000 0.227 238 S C 2.506 177.047 174.600 -0.098 0.000 1.022 238 S CA 2.587 60.745 58.200 -0.070 0.000 0.958 238 S CB -0.426 62.713 63.200 -0.101 0.000 0.797 238 S HN -0.487 7.708 8.310 0.002 0.116 0.493 239 I N 2.482 122.953 120.570 -0.165 0.000 2.163 239 I HA -0.543 nan 4.170 nan 0.000 0.243 239 I C 1.628 177.580 176.117 -0.274 0.000 1.085 239 I CA 3.984 65.058 61.300 -0.376 0.000 1.347 239 I CB -0.134 37.491 38.000 -0.625 0.000 1.044 239 I HN -0.417 7.642 8.210 -0.125 0.076 0.408 240 E N -0.844 119.246 120.200 -0.184 0.000 2.209 240 E HA -0.279 nan 4.350 nan 0.000 0.196 240 E C 2.078 178.602 176.600 -0.126 0.000 0.993 240 E CA 3.079 59.395 56.400 -0.140 0.000 0.819 240 E CB -0.734 28.923 29.700 -0.072 0.000 0.745 240 E HN -0.023 8.249 8.360 -0.146 0.000 0.477 241 T N -5.209 109.283 114.554 -0.104 0.000 3.007 241 T HA -0.136 nan 4.350 nan 0.000 0.270 241 T C 1.616 176.235 174.700 -0.135 0.000 1.107 241 T CA 2.448 64.488 62.100 -0.100 0.000 1.118 241 T CB -0.685 68.135 68.868 -0.080 0.000 0.889 241 T HN -0.454 7.606 8.240 -0.095 0.123 0.506 242 D N 1.206 121.520 120.400 -0.143 0.000 2.240 242 D HA 0.076 nan 4.640 nan 0.000 0.206 242 D C 1.572 177.598 176.300 -0.455 0.000 0.963 242 D CA 2.452 56.330 54.000 -0.202 0.000 0.863 242 D CB -0.400 40.388 40.800 -0.020 0.000 0.973 242 D HN -0.123 8.021 8.370 -0.116 0.157 0.501 243 E N 0.929 120.875 120.200 -0.425 0.000 2.267 243 E HA -0.261 nan 4.350 nan 0.000 0.197 243 E C 1.610 178.039 176.600 -0.285 0.000 0.998 243 E CA 2.267 58.383 56.400 -0.473 0.000 0.830 243 E CB -0.490 29.059 29.700 -0.252 0.000 0.751 243 E HN -0.708 7.377 8.360 -0.277 0.108 0.491 244 L N -1.317 119.780 121.223 -0.210 0.000 2.093 244 L HA -0.249 nan 4.340 nan 0.000 0.208 244 L C 1.678 178.514 176.870 -0.058 0.000 1.085 244 L CA 2.781 57.567 54.840 -0.090 0.000 0.755 244 L CB -0.258 41.766 42.059 -0.058 0.000 0.904 244 L HN -0.124 7.932 8.230 -0.226 0.038 0.435 245 R N -2.374 117.984 120.500 -0.236 0.000 2.148 245 R HA -0.333 nan 4.340 nan 0.000 0.227 245 R C 2.292 178.686 176.300 0.155 0.000 1.103 245 R CA 3.608 59.592 56.100 -0.194 0.000 0.983 245 R CB -0.479 29.611 30.300 -0.350 0.000 0.874 245 R HN -0.466 7.603 8.270 -0.334 0.000 0.451 246 H N -0.449 118.597 119.070 -0.040 0.000 2.395 246 H HA -0.171 nan 4.556 nan 0.000 0.299 246 H C 2.333 177.683 175.328 0.036 0.000 1.070 246 H CA 1.999 58.042 56.048 -0.008 0.000 1.356 246 H CB 0.113 29.852 29.762 -0.038 0.000 1.401 246 H HN -0.802 7.343 8.280 0.043 0.160 0.524 247 M N -1.164 118.528 119.600 0.154 0.000 2.447 247 M HA -0.232 nan 4.480 nan 0.000 0.264 247 M C 1.527 178.031 176.300 0.339 0.000 1.095 247 M CA 2.851 58.236 55.300 0.142 0.000 1.125 247 M CB 0.193 32.750 32.600 -0.072 0.000 1.389 247 M HN -0.358 7.909 8.290 0.102 0.085 0.459 248 A N -0.028 122.972 122.820 0.301 0.000 1.930 248 A HA -0.347 nan 4.320 nan 0.000 0.217 248 A C 1.477 179.220 177.584 0.266 0.000 1.175 248 A CA 3.286 55.511 52.037 0.314 0.000 0.627 248 A CB -1.036 18.211 19.000 0.411 0.000 0.815 248 A HN 0.358 8.662 8.150 0.257 0.000 0.443 249 N N -1.758 117.066 118.700 0.206 0.000 2.244 249 N HA -0.312 nan 4.740 nan 0.000 0.183 249 N C 2.297 177.927 175.510 0.199 0.000 1.016 249 N CA 2.877 56.004 53.050 0.128 0.000 0.866 249 N CB 0.001 38.569 38.487 0.135 0.000 0.980 249 N HN -0.230 8.182 8.380 0.210 0.094 0.430 250 G N -0.648 108.304 108.800 0.253 0.000 2.394 250 G HA2 -0.238 nan 3.960 nan 0.000 0.215 250 G HA3 -0.238 nan 3.960 nan 0.000 0.215 250 G C 0.555 175.605 174.900 0.249 0.000 1.165 250 G CA 1.600 46.854 45.100 0.256 0.000 0.784 250 G HN -0.518 7.837 8.290 0.263 0.092 0.535 251 Y N 3.213 123.631 120.300 0.198 0.000 2.128 251 Y HA -0.449 nan 4.550 nan 0.000 0.284 251 Y C 1.634 177.488 175.900 -0.076 0.000 1.154 251 Y CA 3.790 61.922 58.100 0.053 0.000 1.149 251 Y CB 0.225 38.720 38.460 0.058 0.000 0.976 251 Y HN -0.573 8.021 8.280 0.523 0.000 0.505 252 Q N -2.046 117.790 119.800 0.061 0.000 2.167 252 Q HA -0.298 nan 4.340 nan 0.000 0.202 252 Q C 2.700 178.632 176.000 -0.113 0.000 0.970 252 Q CA 3.143 58.902 55.803 -0.074 0.000 0.855 252 Q CB -0.449 28.265 28.738 -0.040 0.000 0.911 252 Q HN -0.080 8.317 8.270 0.212 0.000 0.438 253 T N 3.648 118.194 114.554 -0.013 0.000 2.684 253 T HA -0.337 nan 4.350 nan 0.000 0.267 253 T C 2.247 176.863 174.700 -0.140 0.000 1.036 253 T CA 4.987 67.088 62.100 0.003 0.000 1.148 253 T CB -0.540 68.364 68.868 0.060 0.000 0.863 253 T HN -0.148 8.056 8.240 0.064 0.075 0.436 254 V N 1.914 121.694 119.914 -0.224 0.000 2.307 254 V HA -0.313 nan 4.120 nan 0.000 0.245 254 V C 1.479 177.295 176.094 -0.463 0.000 1.045 254 V CA 4.525 66.633 62.300 -0.321 0.000 1.024 254 V CB -0.785 30.825 31.823 -0.355 0.000 0.651 254 V HN -0.426 7.653 8.190 -0.186 0.000 0.449 255 V N -1.081 118.429 119.914 -0.674 0.000 2.392 255 V HA -0.428 nan 4.120 nan 0.000 0.249 255 V C 1.811 177.712 176.094 -0.321 0.000 1.059 255 V CA 4.105 65.985 62.300 -0.700 0.000 1.051 255 V CB -1.127 30.305 31.823 -0.653 0.000 0.658 255 V HN 0.070 7.842 8.190 -0.696 0.000 0.455 256 S N -1.666 113.904 115.700 -0.216 0.000 2.453 256 S HA -0.189 nan 4.470 nan 0.000 0.231 256 S C 1.688 176.245 174.600 -0.072 0.000 1.005 256 S CA 3.377 61.511 58.200 -0.111 0.000 0.949 256 S CB -0.091 63.072 63.200 -0.062 0.000 0.774 256 S HN 0.102 8.189 8.310 -0.226 0.087 0.510 257 I N -4.762 115.750 120.570 -0.096 0.000 4.057 257 I HA 0.378 nan 4.170 nan 0.000 0.334 257 I C 0.947 177.060 176.117 -0.006 0.000 1.308 257 I CA 0.267 61.545 61.300 -0.036 0.000 1.125 257 I CB -0.303 37.638 38.000 -0.099 0.000 1.034 257 I HN -0.706 7.279 8.210 -0.154 0.133 0.401 258 A N 2.587 125.377 122.820 -0.050 0.000 1.978 258 A HA -0.312 nan 4.320 nan 0.000 0.220 258 A C 0.937 178.548 177.584 0.045 0.000 1.170 258 A CA 2.970 55.014 52.037 0.010 0.000 0.636 258 A CB -0.894 18.128 19.000 0.035 0.000 0.810 258 A HN -0.058 8.018 8.150 -0.124 0.000 0.448 259 N N -3.281 115.438 118.700 0.031 0.000 2.370 259 N HA 0.058 nan 4.740 nan 0.000 0.198 259 N C -1.149 174.386 175.510 0.041 0.000 1.156 259 N CA 0.028 53.099 53.050 0.035 0.000 0.839 259 N CB 0.341 38.842 38.487 0.024 0.000 0.989 259 N HN -0.017 8.347 8.380 0.011 0.023 0.468 260 D N 0.155 120.592 120.400 0.062 0.000 2.198 260 D HA 0.430 nan 4.640 nan 0.000 0.245 260 D C -0.799 175.546 176.300 0.076 0.000 1.079 260 D CA -3.027 51.019 54.000 0.077 0.000 0.854 260 D CB 1.758 42.630 40.800 0.120 0.000 1.148 260 D HN -0.457 7.780 8.370 0.070 0.175 0.456 261 P HA -0.218 nan 4.420 nan 0.000 0.217 261 P C -0.183 177.119 177.300 0.003 0.000 1.148 261 P CA 2.129 65.239 63.100 0.016 0.000 0.834 261 P CB 0.169 31.870 31.700 0.002 0.000 0.783 262 A N -3.656 119.195 122.820 0.051 0.000 1.972 262 A HA -0.243 nan 4.320 nan 0.000 0.219 262 A C 1.950 179.618 177.584 0.140 0.000 1.169 262 A CA 2.687 54.762 52.037 0.063 0.000 0.635 262 A CB -0.707 18.357 19.000 0.106 0.000 0.810 262 A HN -0.580 7.816 8.150 0.075 -0.201 0.446 263 S N -0.178 115.678 115.700 0.260 0.000 2.359 263 S HA -0.412 nan 4.470 nan 0.000 0.224 263 S C 1.902 176.591 174.600 0.149 0.000 1.035 263 S CA 3.684 62.073 58.200 0.315 0.000 1.018 263 S CB -0.362 62.960 63.200 0.203 0.000 0.876 263 S HN -0.081 8.371 8.310 0.235 0.000 0.448 264 A N -0.769 122.080 122.820 0.048 0.000 2.121 264 A HA -0.097 nan 4.320 nan 0.000 0.218 264 A C 0.838 178.376 177.584 -0.076 0.000 1.154 264 A CA 2.267 54.302 52.037 -0.004 0.000 0.679 264 A CB -0.748 18.240 19.000 -0.021 0.000 0.795 264 A HN 0.153 8.332 8.150 0.047 0.000 0.458 265 K N -3.869 116.409 120.400 -0.203 0.000 2.202 265 K HA -0.081 nan 4.320 nan 0.000 0.201 265 K C 0.809 177.177 176.600 -0.387 0.000 1.051 265 K CA 2.039 58.050 56.287 -0.460 0.000 0.977 265 K CB 1.175 33.064 32.500 -1.018 0.000 0.792 265 K HN -0.433 7.537 8.250 -0.178 0.173 0.469 266 Y N -6.161 114.183 120.300 0.072 0.000 2.425 266 Y HA 0.133 nan 4.550 nan 0.000 0.261 266 Y C 0.639 176.677 175.900 0.230 0.000 1.084 266 Y CA -0.063 58.099 58.100 0.103 0.000 1.248 266 Y CB 1.339 39.779 38.460 -0.035 0.000 1.270 266 Y HN -0.446 7.739 8.280 0.020 0.107 0.524 267 L N 1.470 122.932 121.223 0.397 0.000 2.027 267 L HA -0.395 nan 4.340 nan 0.000 0.206 267 L C 0.892 177.887 176.870 0.208 0.000 1.074 267 L CA 3.794 58.819 54.840 0.308 0.000 0.745 267 L CB -0.036 42.138 42.059 0.191 0.000 0.898 267 L HN 0.249 8.665 8.230 0.309 0.000 0.433 268 N N -3.038 115.759 118.700 0.161 0.000 2.520 268 N HA -0.264 nan 4.740 nan 0.000 0.185 268 N C 1.776 177.383 175.510 0.162 0.000 1.068 268 N CA 3.041 56.171 53.050 0.133 0.000 0.911 268 N CB 0.024 38.565 38.487 0.091 0.000 0.961 268 N HN 0.543 9.012 8.380 0.147 0.000 0.446 269 T N -1.886 112.784 114.554 0.194 0.000 2.976 269 T HA -0.015 nan 4.350 nan 0.000 0.257 269 T C 1.623 176.454 174.700 0.218 0.000 1.051 269 T CA 3.447 65.668 62.100 0.202 0.000 1.141 269 T CB -0.180 68.812 68.868 0.207 0.000 0.881 269 T HN -0.584 7.757 8.240 0.217 0.029 0.461 270 D N 3.815 124.356 120.400 0.236 0.000 2.117 270 D HA -0.162 nan 4.640 nan 0.000 0.198 270 D C 1.932 178.370 176.300 0.229 0.000 0.982 270 D CA 3.314 57.451 54.000 0.228 0.000 0.828 270 D CB -0.565 40.384 40.800 0.248 0.000 0.967 270 D HN -0.403 8.125 8.370 0.264 0.000 0.464 271 L N -0.551 120.805 121.223 0.223 0.000 1.994 271 L HA -0.433 nan 4.340 nan 0.000 0.208 271 L C 1.368 178.421 176.870 0.304 0.000 1.071 271 L CA 3.381 58.373 54.840 0.254 0.000 0.745 271 L CB -0.107 42.078 42.059 0.209 0.000 0.892 271 L HN 0.266 8.621 8.230 0.208 0.000 0.431 272 N N -1.392 117.459 118.700 0.252 0.000 2.069 272 N HA -0.411 nan 4.740 nan 0.000 0.191 272 N C 2.019 177.711 175.510 0.304 0.000 1.031 272 N CA 3.484 56.687 53.050 0.255 0.000 0.852 272 N CB -0.182 38.392 38.487 0.145 0.000 1.018 272 N HN -0.334 8.172 8.380 0.210 0.000 0.423 273 N N 0.494 119.358 118.700 0.272 0.000 2.120 273 N HA -0.339 nan 4.740 nan 0.000 0.188 273 N C 2.183 177.883 175.510 0.317 0.000 1.024 273 N CA 3.159 56.384 53.050 0.293 0.000 0.852 273 N CB 0.075 38.715 38.487 0.255 0.000 1.003 273 N HN 0.037 8.566 8.380 0.247 0.000 0.424 274 A N 0.848 123.850 122.820 0.304 0.000 1.902 274 A HA -0.279 nan 4.320 nan 0.000 0.217 274 A C 1.505 179.283 177.584 0.323 0.000 1.181 274 A CA 3.025 55.240 52.037 0.297 0.000 0.623 274 A CB -0.772 18.403 19.000 0.292 0.000 0.818 274 A HN 0.046 8.368 8.150 0.288 0.000 0.443 275 F N -0.301 119.802 119.950 0.255 0.000 2.102 275 F HA -0.360 nan 4.527 nan 0.000 0.298 275 F C 0.711 176.641 175.800 0.217 0.000 1.105 275 F CA 3.274 61.407 58.000 0.221 0.000 1.239 275 F CB 0.306 39.468 39.000 0.268 0.000 0.991 275 F HN -0.081 8.534 8.300 0.525 0.000 0.474 276 W N -1.041 120.227 121.300 -0.053 0.000 2.354 276 W HA -0.504 nan 4.660 nan 0.000 0.315 276 W C 1.607 178.061 176.519 -0.107 0.000 1.206 276 W CA 3.865 61.105 57.345 -0.175 0.000 1.290 276 W CB 0.402 29.818 29.460 -0.074 0.000 1.152 276 W HN 0.279 8.760 8.180 0.503 0.000 0.489 277 T N 1.666 116.277 114.554 0.095 0.000 2.592 277 T HA -0.588 nan 4.350 nan 0.000 0.267 277 T C 2.507 177.144 174.700 -0.106 0.000 1.060 277 T CA 5.282 67.397 62.100 0.025 0.000 1.167 277 T CB -0.664 68.286 68.868 0.137 0.000 0.863 277 T HN -0.098 8.308 8.240 0.276 0.000 0.431 278 Q N -0.037 119.747 119.800 -0.027 0.000 2.046 278 Q HA -0.262 nan 4.340 nan 0.000 0.200 278 Q C 2.291 178.189 176.000 -0.170 0.000 0.975 278 Q CA 2.786 58.615 55.803 0.043 0.000 0.836 278 Q CB -0.544 28.405 28.738 0.352 0.000 0.896 278 Q HN -0.194 8.106 8.270 0.050 0.000 0.428 279 Q N -0.222 119.395 119.800 -0.305 0.000 2.167 279 Q HA -0.288 nan 4.340 nan 0.000 0.202 279 Q C 2.360 178.158 176.000 -0.336 0.000 0.970 279 Q CA 2.663 58.300 55.803 -0.277 0.000 0.855 279 Q CB -0.944 27.506 28.738 -0.479 0.000 0.911 279 Q HN 0.117 8.123 8.270 -0.440 0.000 0.438 280 K N 0.329 120.411 120.400 -0.531 0.000 2.063 280 K HA -0.284 nan 4.320 nan 0.000 0.208 280 K C 1.350 177.796 176.600 -0.256 0.000 1.048 280 K CA 2.573 58.580 56.287 -0.467 0.000 0.928 280 K CB -0.366 31.849 32.500 -0.474 0.000 0.713 280 K HN -0.196 7.658 8.250 -0.628 0.019 0.442 281 Y N -1.561 118.474 120.300 -0.442 0.000 2.262 281 Y HA -0.201 nan 4.550 nan 0.000 0.295 281 Y C 1.336 176.944 175.900 -0.488 0.000 1.121 281 Y CA 3.161 60.959 58.100 -0.502 0.000 1.144 281 Y CB 1.251 39.265 38.460 -0.744 0.000 1.043 281 Y HN -0.766 7.339 8.280 -0.283 0.005 0.528 282 F N -2.137 117.622 119.950 -0.318 0.000 2.186 282 F HA -0.297 nan 4.527 nan 0.000 0.299 282 F C 2.341 178.057 175.800 -0.140 0.000 1.090 282 F CA 3.536 61.284 58.000 -0.420 0.000 1.307 282 F CB -0.869 37.582 39.000 -0.915 0.000 1.019 282 F HN 0.017 7.980 8.300 -0.562 0.000 0.489 283 T N 0.861 115.557 114.554 0.236 0.000 2.652 283 T HA -0.130 nan 4.350 nan 0.000 0.267 283 T C -0.523 174.314 174.700 0.229 0.000 1.039 283 T CA 6.511 68.905 62.100 0.490 0.000 1.153 283 T CB -2.293 66.773 68.868 0.330 0.000 0.863 283 T HN 0.213 8.400 8.240 0.092 0.108 0.428 284 P HA 0.039 nan 4.420 nan 0.000 0.219 284 P C 1.156 178.332 177.300 -0.206 0.000 1.154 284 P CA 2.482 65.554 63.100 -0.046 0.000 0.826 284 P CB -0.271 31.409 31.700 -0.032 0.000 0.795 285 V N -0.450 119.240 119.914 -0.374 0.000 2.379 285 V HA -0.279 nan 4.120 nan 0.000 0.245 285 V C 2.178 178.003 176.094 -0.447 0.000 1.044 285 V CA 4.696 66.728 62.300 -0.446 0.000 1.036 285 V CB -0.555 30.812 31.823 -0.761 0.000 0.664 285 V HN -0.291 7.639 8.190 -0.434 0.000 0.453 286 L N -2.385 118.536 121.223 -0.503 0.000 2.156 286 L HA -0.254 nan 4.340 nan 0.000 0.208 286 L C 2.229 178.290 176.870 -1.348 0.000 1.095 286 L CA 3.066 57.406 54.840 -0.834 0.000 0.770 286 L CB -0.742 40.935 42.059 -0.638 0.000 0.914 286 L HN 0.171 8.194 8.230 -0.345 0.000 0.439 287 G N -1.522 106.311 108.800 -1.612 0.000 2.408 287 G HA2 -0.373 nan 3.960 nan 0.000 0.217 287 G HA3 -0.373 nan 3.960 nan 0.000 0.217 287 G C 0.686 175.334 174.900 -0.420 0.000 1.150 287 G CA 1.885 46.069 45.100 -1.527 0.000 0.776 287 G HN -0.574 6.911 8.290 -1.341 0.000 0.542 288 M N 2.174 121.617 119.600 -0.261 0.000 2.099 288 M HA -0.245 nan 4.480 nan 0.000 0.262 288 M C 1.663 177.930 176.300 -0.054 0.000 1.067 288 M CA 3.565 58.867 55.300 0.003 0.000 1.124 288 M CB 0.151 32.729 32.600 -0.035 0.000 1.353 288 M HN -0.630 7.325 8.290 -0.381 0.107 0.410 289 L N -0.946 120.112 121.223 -0.276 0.000 2.093 289 L HA -0.291 nan 4.340 nan 0.000 0.208 289 L C 2.523 179.235 176.870 -0.263 0.000 1.085 289 L CA 3.191 57.848 54.840 -0.306 0.000 0.755 289 L CB -0.980 40.803 42.059 -0.461 0.000 0.904 289 L HN -0.124 7.874 8.230 -0.386 0.000 0.435 290 F N -1.055 118.621 119.950 -0.457 0.000 2.051 290 F HA -0.418 nan 4.527 nan 0.000 0.296 290 F C 2.223 177.714 175.800 -0.516 0.000 1.122 290 F CA 2.773 60.301 58.000 -0.787 0.000 1.201 290 F CB -0.790 37.493 39.000 -1.194 0.000 0.978 290 F HN -0.086 7.800 8.300 -0.690 0.000 0.472 291 E N -2.067 118.116 120.200 -0.028 0.000 2.158 291 E HA -0.280 nan 4.350 nan 0.000 0.191 291 E C 2.581 179.105 176.600 -0.128 0.000 0.982 291 E CA 2.786 59.193 56.400 0.011 0.000 0.823 291 E CB 0.267 30.125 29.700 0.263 0.000 0.766 291 E HN -0.238 8.122 8.360 -0.000 0.000 0.468 292 Y N -3.439 116.825 120.300 -0.060 0.000 2.478 292 Y HA 0.005 nan 4.550 nan 0.000 0.261 292 Y C 0.954 176.758 175.900 -0.160 0.000 1.127 292 Y CA 0.946 58.903 58.100 -0.238 0.000 1.288 292 Y CB 0.714 38.640 38.460 -0.891 0.000 1.084 292 Y HN -0.155 8.210 8.280 0.142 0.000 0.530 293 G N -3.769 105.064 108.800 0.054 0.000 3.159 293 G HA2 0.082 nan 3.960 nan 0.000 0.232 293 G HA3 0.082 nan 3.960 nan 0.000 0.232 293 G C -1.333 173.703 174.900 0.228 0.000 1.116 293 G CA -0.550 44.597 45.100 0.079 0.000 0.767 293 G HN -0.525 7.792 8.290 0.045 0.000 0.547 294 S N -1.219 114.616 115.700 0.224 0.000 2.766 294 S HA 0.285 nan 4.470 nan 0.000 0.307 294 S C -1.145 173.422 174.600 -0.055 0.000 1.121 294 S CA -1.484 56.871 58.200 0.259 0.000 0.980 294 S CB 2.749 66.177 63.200 0.380 0.000 1.159 294 S HN -0.956 7.379 8.310 0.116 0.045 0.546 295 K N 0.936 121.178 120.400 -0.264 0.000 2.354 295 K HA 0.071 nan 4.320 nan 0.000 0.210 295 K C -0.891 175.319 176.600 -0.649 0.000 1.184 295 K CA 0.198 56.119 56.287 -0.610 0.000 0.880 295 K CB 0.772 32.546 32.500 -1.209 0.000 1.328 295 K HN 0.280 8.431 8.250 -0.165 0.000 0.466 296 F N 0.089 119.830 119.950 -0.348 0.000 2.467 296 F HA -0.024 nan 4.527 nan 0.000 0.362 296 F C -0.185 175.351 175.800 -0.440 0.000 1.090 296 F CA 0.464 58.242 58.000 -0.371 0.000 1.202 296 F CB 0.277 39.082 39.000 -0.325 0.000 1.113 296 F HN -0.416 7.639 8.300 -0.408 0.000 0.541 297 K N 3.638 123.777 120.400 -0.434 0.000 2.159 297 K HA 0.173 nan 4.320 nan 0.000 0.266 297 K C -0.985 175.120 176.600 -0.825 0.000 0.975 297 K CA -1.172 54.705 56.287 -0.684 0.000 0.865 297 K CB 1.118 32.976 32.500 -1.069 0.000 1.087 297 K HN 0.045 8.056 8.250 -0.399 0.000 0.446 298 V N 3.845 122.836 119.914 -1.539 0.000 2.436 298 V HA 0.015 nan 4.120 nan 0.000 0.240 298 V C 0.384 176.162 176.094 -0.527 0.000 1.040 298 V CA 1.950 63.560 62.300 -1.150 0.000 1.052 298 V CB 0.709 31.469 31.823 -1.772 0.000 0.707 298 V HN 0.235 6.691 8.190 -2.889 0.000 0.469 299 E N -1.067 118.992 120.200 -0.236 0.000 2.372 299 E HA 0.383 nan 4.350 nan 0.000 0.279 299 E C -2.848 174.019 176.600 0.444 0.000 0.946 299 E CA -2.829 53.647 56.400 0.126 0.000 0.769 299 E CB 2.391 32.133 29.700 0.070 0.000 1.230 299 E HN -0.463 7.729 8.360 -0.279 0.000 0.442 300 P HA 0.092 nan 4.420 nan 0.000 0.276 300 P C -0.273 177.271 177.300 0.407 0.000 1.230 300 P CA -0.671 62.715 63.100 0.476 0.000 0.776 300 P CB 0.705 32.419 31.700 0.023 0.000 0.888 301 W N 4.942 126.416 121.300 0.290 0.000 2.342 301 W HA -0.383 nan 4.660 nan 0.000 0.297 301 W C 1.111 177.643 176.519 0.021 0.000 1.213 301 W CA 3.006 60.396 57.345 0.075 0.000 1.251 301 W CB 0.554 29.936 29.460 -0.130 0.000 1.136 301 W HN 0.286 9.238 8.180 0.795 -0.294 0.526 302 V N -5.314 114.624 119.914 0.041 0.000 2.380 302 V HA -0.559 nan 4.120 nan 0.000 0.251 302 V C 1.809 177.831 176.094 -0.120 0.000 1.063 302 V CA 3.428 65.658 62.300 -0.116 0.000 1.055 302 V CB -1.284 30.477 31.823 -0.103 0.000 0.657 302 V HN -0.298 8.090 8.190 0.329 0.000 0.455 303 K N -0.412 119.934 120.400 -0.090 0.000 2.007 303 K HA -0.270 nan 4.320 nan 0.000 0.206 303 K C 1.923 178.434 176.600 -0.148 0.000 1.047 303 K CA 3.236 59.476 56.287 -0.078 0.000 0.937 303 K CB 0.106 32.578 32.500 -0.046 0.000 0.718 303 K HN -0.476 7.615 8.250 -0.043 0.133 0.438 304 T N 2.097 116.507 114.554 -0.242 0.000 2.665 304 T HA -0.324 nan 4.350 nan 0.000 0.268 304 T C 1.487 175.694 174.700 -0.822 0.000 1.035 304 T CA 4.824 66.598 62.100 -0.543 0.000 1.151 304 T CB -0.759 67.797 68.868 -0.520 0.000 0.862 304 T HN -0.441 7.722 8.240 -0.128 0.000 0.438 305 W N 0.904 121.540 121.300 -1.106 0.000 2.358 305 W HA -0.445 nan 4.660 nan 0.000 0.303 305 W C 1.148 177.501 176.519 -0.277 0.000 1.208 305 W CA 4.287 61.099 57.345 -0.887 0.000 1.274 305 W CB 0.134 28.985 29.460 -1.015 0.000 1.138 305 W HN 0.532 8.215 8.180 -0.829 0.000 0.515 306 D N -2.004 118.477 120.400 0.134 0.000 2.144 306 D HA -0.354 nan 4.640 nan 0.000 0.200 306 D C 1.984 178.351 176.300 0.112 0.000 0.978 306 D CA 3.860 57.983 54.000 0.206 0.000 0.833 306 D CB -0.163 40.722 40.800 0.143 0.000 0.961 306 D HN -0.558 7.824 8.370 0.038 0.011 0.470 307 R N -0.287 120.235 120.500 0.037 0.000 2.062 307 R HA -0.254 nan 4.340 nan 0.000 0.229 307 R C 2.205 178.638 176.300 0.222 0.000 1.128 307 R CA 3.494 59.666 56.100 0.119 0.000 0.960 307 R CB 0.053 30.417 30.300 0.107 0.000 0.855 307 R HN -0.704 7.445 8.270 -0.057 0.087 0.432 308 W N -2.295 118.956 121.300 -0.081 0.000 2.352 308 W HA -0.205 nan 4.660 nan 0.000 0.322 308 W C 2.535 178.928 176.519 -0.211 0.000 1.208 308 W CA 2.720 59.981 57.345 -0.141 0.000 1.286 308 W CB -0.739 28.608 29.460 -0.189 0.000 1.167 308 W HN 0.176 8.409 8.180 0.089 0.000 0.469 309 V N -1.966 117.849 119.914 -0.166 0.000 2.255 309 V HA -0.409 nan 4.120 nan 0.000 0.243 309 V C 1.717 177.799 176.094 -0.021 0.000 1.038 309 V CA 5.122 67.238 62.300 -0.306 0.000 1.008 309 V CB -0.720 30.506 31.823 -0.995 0.000 0.645 309 V HN 0.397 8.415 8.190 -0.287 0.000 0.449 310 Y N -0.892 119.357 120.300 -0.086 0.000 2.243 310 Y HA -0.392 nan 4.550 nan 0.000 0.293 310 Y C 1.861 177.809 175.900 0.079 0.000 1.124 310 Y CA 4.173 62.307 58.100 0.056 0.000 1.159 310 Y CB 0.479 39.010 38.460 0.118 0.000 1.008 310 Y HN -0.656 7.681 8.280 0.095 0.000 0.527 311 E N -2.208 118.128 120.200 0.226 0.000 2.065 311 E HA -0.204 nan 4.350 nan 0.000 0.191 311 E C 2.250 178.925 176.600 0.124 0.000 0.960 311 E CA 2.657 59.156 56.400 0.164 0.000 0.824 311 E CB 0.412 30.207 29.700 0.159 0.000 0.793 311 E HN -0.698 7.801 8.360 0.231 0.000 0.459 312 D N 0.021 120.511 120.400 0.149 0.000 2.097 312 D HA -0.161 nan 4.640 nan 0.000 0.197 312 D C 2.006 178.425 176.300 0.198 0.000 0.984 312 D CA 3.247 57.337 54.000 0.151 0.000 0.826 312 D CB -0.091 40.796 40.800 0.144 0.000 0.973 312 D HN -0.006 8.464 8.370 0.167 0.000 0.460 313 W N 0.518 121.817 121.300 -0.001 0.000 2.519 313 W HA -0.091 nan 4.660 nan 0.000 0.313 313 W C 1.783 178.315 176.519 0.022 0.000 1.156 313 W CA 3.809 61.172 57.345 0.030 0.000 1.394 313 W CB 0.706 30.102 29.460 -0.107 0.000 1.154 313 W HN 0.178 8.531 8.180 0.287 0.000 0.498 314 G N -2.845 106.032 108.800 0.128 0.000 2.469 314 G HA2 -0.476 nan 3.960 nan 0.000 0.220 314 G HA3 -0.476 nan 3.960 nan 0.000 0.220 314 G C 0.631 175.384 174.900 -0.245 0.000 1.136 314 G CA 2.464 47.447 45.100 -0.195 0.000 0.759 314 G HN 0.475 8.991 8.290 0.376 0.000 0.562 315 G N 0.601 109.332 108.800 -0.114 0.000 2.695 315 G HA2 0.068 nan 3.960 nan 0.000 0.219 315 G HA3 0.068 nan 3.960 nan 0.000 0.219 315 G C 1.043 175.891 174.900 -0.088 0.000 1.295 315 G CA 0.475 45.527 45.100 -0.080 0.000 0.882 315 G HN -0.890 7.360 8.290 -0.035 0.020 0.570 316 I N 1.555 122.110 120.570 -0.026 0.000 2.113 316 I HA -0.421 nan 4.170 nan 0.000 0.238 316 I C 1.301 177.381 176.117 -0.062 0.000 1.070 316 I CA 4.329 65.616 61.300 -0.023 0.000 1.332 316 I CB 0.242 38.267 38.000 0.042 0.000 1.044 316 I HN -0.433 7.787 8.210 0.017 0.000 0.402 317 W N -0.298 120.903 121.300 -0.165 0.000 2.355 317 W HA -0.383 nan 4.660 nan 0.000 0.309 317 W C 2.375 178.732 176.519 -0.269 0.000 1.206 317 W CA 3.274 60.508 57.345 -0.185 0.000 1.284 317 W CB 0.485 29.845 29.460 -0.167 0.000 1.145 317 W HN -0.171 8.091 8.180 0.136 0.000 0.502 318 I N -2.836 117.429 120.570 -0.508 0.000 2.394 318 I HA -0.342 nan 4.170 nan 0.000 0.251 318 I C 2.817 178.721 176.117 -0.356 0.000 1.136 318 I CA 2.246 63.229 61.300 -0.528 0.000 1.425 318 I CB -1.209 36.388 38.000 -0.672 0.000 1.079 318 I HN 0.043 7.978 8.210 -0.458 0.000 0.425 319 G N -0.264 108.369 108.800 -0.278 0.000 2.432 319 G HA2 -0.339 nan 3.960 nan 0.000 0.219 319 G HA3 -0.339 nan 3.960 nan 0.000 0.219 319 G C 1.597 176.380 174.900 -0.196 0.000 1.135 319 G CA 1.711 46.692 45.100 -0.198 0.000 0.767 319 G HN -0.089 8.041 8.290 -0.267 0.000 0.550 320 R N 1.369 121.726 120.500 -0.239 0.000 2.241 320 R HA -0.237 nan 4.340 nan 0.000 0.224 320 R C 1.216 177.451 176.300 -0.109 0.000 1.101 320 R CA 2.272 58.256 56.100 -0.193 0.000 0.995 320 R CB 0.050 30.176 30.300 -0.290 0.000 0.870 320 R HN -0.475 7.612 8.270 -0.291 0.008 0.463 321 L N -3.552 117.576 121.223 -0.158 0.000 2.693 321 L HA 0.198 nan 4.340 nan 0.000 0.235 321 L C 1.439 178.257 176.870 -0.087 0.000 1.127 321 L CA -0.358 54.460 54.840 -0.037 0.000 0.914 321 L CB 0.026 42.024 42.059 -0.102 0.000 1.193 321 L HN -0.132 7.766 8.230 -0.248 0.184 0.502 322 G N 0.188 108.897 108.800 -0.152 0.000 2.462 322 G HA2 -0.297 nan 3.960 nan 0.000 0.220 322 G HA3 -0.297 nan 3.960 nan 0.000 0.220 322 G C 0.465 175.259 174.900 -0.177 0.000 1.121 322 G CA 2.357 47.371 45.100 -0.142 0.000 0.758 322 G HN -0.354 7.726 8.290 -0.168 0.110 0.559 323 K N -1.129 119.086 120.400 -0.308 0.000 2.486 323 K HA -0.121 nan 4.320 nan 0.000 0.194 323 K C 0.181 176.483 176.600 -0.496 0.000 1.033 323 K CA 1.663 57.704 56.287 -0.410 0.000 1.004 323 K CB -0.913 31.276 32.500 -0.518 0.000 0.798 323 K HN -0.092 7.926 8.250 -0.328 0.035 0.495 324 Y N -1.874 118.359 120.300 -0.111 0.000 2.607 324 Y HA 0.122 nan 4.550 nan 0.000 0.266 324 Y C 0.032 175.880 175.900 -0.087 0.000 1.178 324 Y CA -0.865 57.166 58.100 -0.115 0.000 1.226 324 Y CB -0.594 37.761 38.460 -0.176 0.000 1.144 324 Y HN -0.096 7.841 8.280 -0.262 0.185 0.528 325 G N -1.862 106.936 108.800 -0.002 0.000 2.159 325 G HA2 -0.480 nan 3.960 nan 0.000 0.256 325 G HA3 -0.480 nan 3.960 nan 0.000 0.256 325 G C -0.701 174.200 174.900 0.002 0.000 0.977 325 G CA 0.281 45.381 45.100 0.000 0.000 0.652 325 G HN -0.408 7.671 8.290 -0.068 0.170 0.531 326 V N -0.632 119.277 119.914 -0.008 0.000 2.686 326 V HA -0.059 nan 4.120 nan 0.000 0.295 326 V C -0.312 175.747 176.094 -0.058 0.000 1.055 326 V CA 1.110 63.395 62.300 -0.025 0.000 1.050 326 V CB 0.706 32.503 31.823 -0.043 0.000 0.984 326 V HN -0.622 7.523 8.190 -0.003 0.043 0.482 327 E N 5.581 125.749 120.200 -0.052 0.000 2.320 327 E HA 0.252 nan 4.350 nan 0.000 0.264 327 E C -1.663 174.871 176.600 -0.109 0.000 0.923 327 E CA -1.936 54.421 56.400 -0.071 0.000 0.796 327 E CB 2.935 32.615 29.700 -0.033 0.000 1.262 327 E HN 0.100 8.443 8.360 -0.027 0.000 0.428 328 S N 2.422 118.037 115.700 -0.141 0.000 2.549 328 S HA 0.049 nan 4.470 nan 0.000 0.283 328 S C -1.890 172.634 174.600 -0.128 0.000 1.320 328 S CA -0.821 57.260 58.200 -0.198 0.000 1.058 328 S CB -0.092 62.981 63.200 -0.212 0.000 0.882 328 S HN 0.104 8.338 8.310 -0.127 0.000 0.498 329 P HA -0.059 nan 4.420 nan 0.000 0.263 329 P C -0.156 177.119 177.300 -0.043 0.000 1.175 329 P CA 0.338 63.401 63.100 -0.062 0.000 0.761 329 P CB 0.354 31.989 31.700 -0.109 0.000 0.794 330 R N 2.551 123.055 120.500 0.006 0.000 2.237 330 R HA -0.238 nan 4.340 nan 0.000 0.219 330 R C 1.092 177.408 176.300 0.027 0.000 1.080 330 R CA 2.653 58.785 56.100 0.053 0.000 0.995 330 R CB -0.608 29.771 30.300 0.132 0.000 0.875 330 R HN 0.626 8.950 8.270 0.025 -0.039 0.462 331 S N -0.995 114.617 115.700 -0.147 0.000 2.631 331 S HA 0.032 nan 4.470 nan 0.000 0.217 331 S C 0.625 175.429 174.600 0.340 0.000 0.958 331 S CA 1.268 59.370 58.200 -0.164 0.000 0.920 331 S CB 0.512 63.217 63.200 -0.825 0.000 0.776 331 S HN -0.145 8.333 8.310 -0.144 -0.254 0.517 332 L N 2.473 123.846 121.223 0.250 0.000 2.042 332 L HA -0.391 nan 4.340 nan 0.000 0.210 332 L C 1.478 178.666 176.870 0.530 0.000 1.076 332 L CA 3.758 58.795 54.840 0.328 0.000 0.749 332 L CB -0.370 41.678 42.059 -0.018 0.000 0.893 332 L HN -0.427 7.795 8.230 0.086 0.060 0.432 333 K N -1.568 119.089 120.400 0.428 0.000 2.057 333 K HA -0.333 nan 4.320 nan 0.000 0.207 333 K C 2.059 178.922 176.600 0.439 0.000 1.049 333 K CA 3.201 59.747 56.287 0.432 0.000 0.931 333 K CB -0.995 31.698 32.500 0.321 0.000 0.714 333 K HN 0.132 8.575 8.250 0.321 0.000 0.440 334 D N -0.583 120.105 120.400 0.481 0.000 2.117 334 D HA -0.228 nan 4.640 nan 0.000 0.198 334 D C 2.019 178.677 176.300 0.596 0.000 0.982 334 D CA 3.517 57.834 54.000 0.529 0.000 0.828 334 D CB -0.491 40.681 40.800 0.621 0.000 0.967 334 D HN -0.697 7.954 8.370 0.469 0.000 0.464 335 A N -1.001 122.252 122.820 0.722 0.000 1.972 335 A HA -0.239 nan 4.320 nan 0.000 0.219 335 A C 1.670 179.497 177.584 0.405 0.000 1.169 335 A CA 2.863 55.246 52.037 0.577 0.000 0.635 335 A CB -0.500 18.943 19.000 0.739 0.000 0.810 335 A HN -0.175 8.454 8.150 0.798 0.000 0.446 336 K N -1.923 118.776 120.400 0.500 0.000 2.076 336 K HA -0.244 nan 4.320 nan 0.000 0.204 336 K C 2.967 179.612 176.600 0.075 0.000 1.051 336 K CA 2.647 59.070 56.287 0.226 0.000 0.949 336 K CB 0.154 32.885 32.500 0.384 0.000 0.726 336 K HN -0.350 8.197 8.250 0.636 0.084 0.443 337 Q N -2.401 117.507 119.800 0.179 0.000 2.226 337 Q HA -0.295 nan 4.340 nan 0.000 0.204 337 Q C 1.768 177.857 176.000 0.148 0.000 0.975 337 Q CA 2.481 58.372 55.803 0.147 0.000 0.866 337 Q CB -0.263 28.586 28.738 0.185 0.000 0.915 337 Q HN -0.274 8.156 8.270 0.267 0.000 0.440 338 D N -1.985 118.510 120.400 0.158 0.000 2.339 338 D HA 0.104 nan 4.640 nan 0.000 0.217 338 D C 0.071 176.399 176.300 0.047 0.000 1.050 338 D CA -0.371 53.723 54.000 0.157 0.000 0.856 338 D CB 0.857 41.774 40.800 0.195 0.000 0.922 338 D HN -0.554 7.938 8.370 0.203 0.000 0.518 339 A N -0.099 122.619 122.820 -0.170 0.000 1.877 339 A HA -0.273 nan 4.320 nan 0.000 0.216 339 A C 1.258 178.769 177.584 -0.121 0.000 1.186 339 A CA 2.856 54.633 52.037 -0.433 0.000 0.620 339 A CB -0.782 17.491 19.000 -1.211 0.000 0.822 339 A HN -0.579 7.290 8.150 -0.189 0.167 0.443 340 Y N -1.822 118.381 120.300 -0.161 0.000 2.114 340 Y HA -0.449 nan 4.550 nan 0.000 0.282 340 Y C 1.174 177.068 175.900 -0.009 0.000 1.165 340 Y CA 3.946 61.969 58.100 -0.128 0.000 1.148 340 Y CB 0.216 38.474 38.460 -0.337 0.000 0.972 340 Y HN -0.130 8.187 8.280 0.062 0.000 0.504 341 W N -5.585 115.973 121.300 0.430 0.000 2.907 341 W HA -0.057 nan 4.660 nan 0.000 0.271 341 W C 1.085 177.724 176.519 0.200 0.000 1.253 341 W CA 0.069 57.620 57.345 0.344 0.000 1.501 341 W CB 0.139 29.823 29.460 0.375 0.000 1.047 341 W HN -0.458 7.978 8.180 0.426 0.000 0.610 342 A N 0.579 123.642 122.820 0.404 0.000 1.948 342 A HA -0.504 nan 4.320 nan 0.000 0.220 342 A C 1.139 178.852 177.584 0.215 0.000 1.177 342 A CA 3.369 55.573 52.037 0.278 0.000 0.636 342 A CB -1.158 17.952 19.000 0.184 0.000 0.815 342 A HN -0.303 8.065 8.150 0.364 0.000 0.449 343 H N -4.154 114.910 119.070 -0.009 0.000 2.428 343 H HA -0.287 nan 4.556 nan 0.000 0.296 343 H C 2.352 177.628 175.328 -0.086 0.000 1.062 343 H CA 2.598 58.583 56.048 -0.106 0.000 1.350 343 H CB -0.496 29.138 29.762 -0.212 0.000 1.403 343 H HN -0.007 8.589 8.280 0.547 0.012 0.533 344 H N 1.055 119.952 119.070 -0.288 0.000 2.363 344 H HA -0.292 nan 4.556 nan 0.000 0.301 344 H C 2.337 177.519 175.328 -0.243 0.000 1.074 344 H CA 3.155 58.934 56.048 -0.447 0.000 1.354 344 H CB 0.186 29.471 29.762 -0.795 0.000 1.397 344 H HN 0.022 7.912 8.280 -0.407 0.147 0.516 345 D N -0.007 120.506 120.400 0.189 0.000 2.104 345 D HA -0.308 nan 4.640 nan 0.000 0.194 345 D C 2.387 178.828 176.300 0.235 0.000 0.994 345 D CA 3.298 57.496 54.000 0.330 0.000 0.830 345 D CB -0.179 40.813 40.800 0.320 0.000 0.959 345 D HN -0.227 8.284 8.370 0.235 0.000 0.452 346 L N -0.903 120.413 121.223 0.155 0.000 2.056 346 L HA -0.341 nan 4.340 nan 0.000 0.207 346 L C 1.390 178.317 176.870 0.095 0.000 1.078 346 L CA 2.964 57.872 54.840 0.113 0.000 0.749 346 L CB 0.021 42.112 42.059 0.055 0.000 0.901 346 L HN -0.253 8.061 8.230 0.140 0.000 0.433 347 Y N -0.672 119.568 120.300 -0.099 0.000 2.333 347 Y HA -0.417 nan 4.550 nan 0.000 0.290 347 Y C 1.883 177.853 175.900 0.116 0.000 1.144 347 Y CA 3.842 61.850 58.100 -0.154 0.000 1.228 347 Y CB -0.078 37.923 38.460 -0.765 0.000 0.985 347 Y HN -0.589 7.724 8.280 0.054 0.000 0.542 348 L N -2.106 119.267 121.223 0.250 0.000 2.043 348 L HA -0.455 nan 4.340 nan 0.000 0.212 348 L C 1.968 179.092 176.870 0.424 0.000 1.075 348 L CA 3.282 58.356 54.840 0.390 0.000 0.752 348 L CB -0.531 41.732 42.059 0.339 0.000 0.891 348 L HN -0.538 7.819 8.230 0.226 0.009 0.432 349 L N -1.700 119.649 121.223 0.210 0.000 2.068 349 L HA -0.245 nan 4.340 nan 0.000 0.204 349 L C 2.031 178.889 176.870 -0.019 0.000 1.076 349 L CA 2.029 56.887 54.840 0.031 0.000 0.753 349 L CB -1.589 40.474 42.059 0.006 0.000 0.910 349 L HN -0.588 7.646 8.230 0.186 0.108 0.439 350 A N -0.208 122.591 122.820 -0.036 0.000 1.917 350 A HA -0.350 nan 4.320 nan 0.000 0.219 350 A C 1.388 178.899 177.584 -0.121 0.000 1.182 350 A CA 3.075 55.066 52.037 -0.078 0.000 0.633 350 A CB -0.657 18.282 19.000 -0.101 0.000 0.819 350 A HN -0.034 8.107 8.150 -0.016 0.000 0.448 351 Y N -2.214 117.917 120.300 -0.283 0.000 2.220 351 Y HA -0.322 nan 4.550 nan 0.000 0.291 351 Y C 1.936 177.866 175.900 0.050 0.000 1.129 351 Y CA 2.703 60.735 58.100 -0.114 0.000 1.161 351 Y CB 0.822 39.250 38.460 -0.053 0.000 0.997 351 Y HN -0.247 7.945 8.280 -0.147 0.000 0.522 352 A N -0.244 122.648 122.820 0.119 0.000 1.986 352 A HA -0.301 nan 4.320 nan 0.000 0.220 352 A C 1.295 178.684 177.584 -0.326 0.000 1.171 352 A CA 2.875 54.818 52.037 -0.156 0.000 0.640 352 A CB -0.510 18.472 19.000 -0.031 0.000 0.811 352 A HN -0.155 8.189 8.150 0.324 0.000 0.451 353 L N -4.454 116.602 121.223 -0.279 0.000 2.728 353 L HA 0.191 nan 4.340 nan 0.000 0.235 353 L C 0.605 177.222 176.870 -0.422 0.000 1.197 353 L CA -1.287 53.349 54.840 -0.340 0.000 0.992 353 L CB -1.598 40.348 42.059 -0.188 0.000 1.263 353 L HN -0.120 7.988 8.230 -0.179 0.014 0.484 354 W N -0.258 120.771 121.300 -0.453 0.000 2.331 354 W HA -0.195 nan 4.660 nan 0.000 0.291 354 W C -1.751 174.473 176.519 -0.491 0.000 1.214 354 W CA 3.611 60.637 57.345 -0.530 0.000 1.228 354 W CB -3.382 25.632 29.460 -0.744 0.000 1.135 354 W HN 0.169 7.928 8.180 -0.420 0.170 0.537 355 P HA -0.164 nan 4.420 nan 0.000 0.225 355 P C -0.208 176.795 177.300 -0.495 0.000 1.148 355 P CA 1.740 64.192 63.100 -1.080 0.000 0.779 355 P CB -0.556 30.392 31.700 -1.252 0.000 0.780 356 T N -5.945 108.381 114.554 -0.380 0.000 3.105 356 T HA 0.232 nan 4.350 nan 0.000 0.253 356 T C 0.585 175.192 174.700 -0.156 0.000 1.047 356 T CA -0.654 61.325 62.100 -0.201 0.000 0.944 356 T CB -0.039 68.772 68.868 -0.096 0.000 1.016 356 T HN -0.426 7.528 8.240 -0.422 0.033 0.544 357 G N 1.681 110.284 108.800 -0.330 0.000 2.510 357 G HA2 0.227 nan 3.960 nan 0.000 0.280 357 G HA3 0.227 nan 3.960 nan 0.000 0.280 357 G C -1.761 172.914 174.900 -0.374 0.000 1.386 357 G CA -1.161 43.600 45.100 -0.565 0.000 1.047 357 G HN -0.583 7.413 8.290 -0.390 0.060 0.527 358 F N -5.570 114.017 119.950 -0.606 0.000 2.777 358 F HA 0.423 nan 4.527 nan 0.000 0.361 358 F C -2.252 173.453 175.800 -0.159 0.000 1.254 358 F CA -2.193 55.661 58.000 -0.243 0.000 1.181 358 F CB -0.300 38.668 39.000 -0.054 0.000 1.082 358 F HN -0.149 7.459 8.300 -1.153 0.000 0.510 359 F N -4.293 115.430 119.950 -0.380 0.000 2.654 359 F HA 0.550 nan 4.527 nan 0.000 0.308 359 F C -1.903 173.757 175.800 -0.233 0.000 1.108 359 F CA -1.939 55.815 58.000 -0.410 0.000 0.957 359 F CB 2.699 41.306 39.000 -0.654 0.000 1.309 359 F HN -0.799 6.830 8.300 -1.120 0.000 0.446 360 R N 0.469 120.948 120.500 -0.036 0.000 2.457 360 R HA 0.644 nan 4.340 nan 0.000 0.284 360 R C -0.686 175.653 176.300 0.066 0.000 1.024 360 R CA -0.421 55.642 56.100 -0.061 0.000 1.025 360 R CB 1.437 31.693 30.300 -0.074 0.000 1.063 360 R HN 0.073 8.606 8.270 -0.007 -0.267 0.493 361 L N 1.957 123.209 121.223 0.048 0.000 2.370 361 L HA 0.463 nan 4.340 nan 0.000 0.266 361 L C -1.815 175.233 176.870 0.296 0.000 1.002 361 L CA -1.482 53.499 54.840 0.236 0.000 0.818 361 L CB 4.508 46.708 42.059 0.235 0.000 1.325 361 L HN 0.000 8.174 8.230 -0.093 0.000 0.418 362 A N 1.697 124.748 122.820 0.385 0.000 2.414 362 A HA 0.513 nan 4.320 nan 0.000 0.306 362 A C -1.551 176.159 177.584 0.210 0.000 1.054 362 A CA -1.668 50.547 52.037 0.296 0.000 0.724 362 A CB 2.745 21.861 19.000 0.192 0.000 1.267 362 A HN -0.213 8.201 8.150 0.440 0.000 0.418 363 L N 1.065 122.318 121.223 0.049 0.000 2.483 363 L HA -0.039 nan 4.340 nan 0.000 0.276 363 L C -1.668 175.166 176.870 -0.060 0.000 1.213 363 L CA -1.419 53.311 54.840 -0.182 0.000 0.843 363 L CB -0.243 41.744 42.059 -0.119 0.000 1.107 363 L HN 0.453 8.763 8.230 0.132 0.000 0.487 364 P HA -0.093 nan 4.420 nan 0.000 0.261 364 P C -1.293 176.053 177.300 0.077 0.000 1.183 364 P CA 0.058 63.194 63.100 0.061 0.000 0.761 364 P CB 0.281 32.107 31.700 0.210 0.000 0.785 365 D N 5.163 125.590 120.400 0.044 0.000 2.433 365 D HA -0.040 nan 4.640 nan 0.000 0.255 365 D C 1.037 177.377 176.300 0.067 0.000 1.226 365 D CA -0.938 53.089 54.000 0.046 0.000 1.015 365 D CB 0.524 41.325 40.800 0.002 0.000 1.091 365 D HN -0.080 8.575 8.370 0.007 -0.281 0.527 366 Q N -1.290 118.548 119.800 0.063 0.000 2.170 366 Q HA -0.303 nan 4.340 nan 0.000 0.203 366 Q C 2.201 178.225 176.000 0.041 0.000 0.976 366 Q CA 3.365 59.212 55.803 0.074 0.000 0.858 366 Q CB -0.189 28.582 28.738 0.056 0.000 0.907 366 Q HN 0.421 8.723 8.270 0.053 0.000 0.433 367 E N -0.204 119.991 120.200 -0.008 0.000 2.072 367 E HA -0.346 nan 4.350 nan 0.000 0.191 367 E C 2.445 179.014 176.600 -0.052 0.000 0.985 367 E CA 3.099 59.479 56.400 -0.034 0.000 0.801 367 E CB -0.410 29.241 29.700 -0.082 0.000 0.750 367 E HN -0.452 7.989 8.360 -0.021 -0.094 0.452 368 E N 0.085 120.218 120.200 -0.111 0.000 2.077 368 E HA -0.328 nan 4.350 nan 0.000 0.193 368 E C 2.542 179.070 176.600 -0.121 0.000 0.989 368 E CA 2.924 59.180 56.400 -0.240 0.000 0.800 368 E CB -0.150 29.398 29.700 -0.253 0.000 0.746 368 E HN -0.295 8.300 8.360 -0.087 -0.287 0.452 369 M N -0.715 118.943 119.600 0.096 0.000 2.159 369 M HA -0.422 nan 4.480 nan 0.000 0.263 369 M C 2.298 178.696 176.300 0.163 0.000 1.063 369 M CA 4.400 59.831 55.300 0.218 0.000 1.110 369 M CB -0.076 32.790 32.600 0.443 0.000 1.374 369 M HN 0.141 8.496 8.290 0.108 0.000 0.411 370 E N -0.534 119.727 120.200 0.102 0.000 2.106 370 E HA -0.368 nan 4.350 nan 0.000 0.192 370 E C 2.163 178.793 176.600 0.050 0.000 0.984 370 E CA 2.862 59.305 56.400 0.071 0.000 0.806 370 E CB -0.358 29.367 29.700 0.042 0.000 0.750 370 E HN -0.334 8.008 8.360 0.085 0.069 0.458 371 W N 1.576 122.760 121.300 -0.193 0.000 2.379 371 W HA -0.370 nan 4.660 nan 0.000 0.307 371 W C 1.904 178.283 176.519 -0.234 0.000 1.200 371 W CA 4.160 61.348 57.345 -0.261 0.000 1.297 371 W CB 0.134 29.345 29.460 -0.415 0.000 1.140 371 W HN 0.116 8.267 8.180 0.097 0.087 0.507 372 F N -2.528 117.381 119.950 -0.068 0.000 2.095 372 F HA -0.554 nan 4.527 nan 0.000 0.298 372 F C 2.147 177.857 175.800 -0.150 0.000 1.104 372 F CA 3.638 61.426 58.000 -0.353 0.000 1.232 372 F CB -0.548 37.662 39.000 -1.316 0.000 0.987 372 F HN 0.466 8.660 8.300 -0.176 0.000 0.475 373 E N -0.819 119.494 120.200 0.188 0.000 2.150 373 E HA -0.307 nan 4.350 nan 0.000 0.193 373 E C 1.696 178.362 176.600 0.109 0.000 0.985 373 E CA 2.298 58.873 56.400 0.292 0.000 0.814 373 E CB -0.419 29.472 29.700 0.318 0.000 0.752 373 E HN 0.077 8.529 8.360 0.155 0.000 0.466 374 A N -1.716 121.075 122.820 -0.048 0.000 1.969 374 A HA -0.115 nan 4.320 nan 0.000 0.218 374 A C 1.808 179.248 177.584 -0.240 0.000 1.169 374 A CA 2.318 54.277 52.037 -0.130 0.000 0.635 374 A CB -0.146 18.741 19.000 -0.190 0.000 0.810 374 A HN -0.130 7.980 8.150 -0.067 0.000 0.445 375 N N -4.444 114.005 118.700 -0.419 0.000 2.356 375 N HA 0.047 nan 4.740 nan 0.000 0.178 375 N C -0.668 174.381 175.510 -0.769 0.000 1.075 375 N CA 1.572 54.216 53.050 -0.678 0.000 0.889 375 N CB 2.181 40.002 38.487 -1.111 0.000 0.999 375 N HN -0.550 7.463 8.380 -0.412 0.120 0.464 376 Y N -1.031 119.247 120.300 -0.037 0.000 2.592 376 Y HA 0.283 nan 4.550 nan 0.000 0.354 376 Y C -2.928 173.186 175.900 0.356 0.000 1.063 376 Y CA -2.829 55.341 58.100 0.116 0.000 1.205 376 Y CB 0.532 39.065 38.460 0.122 0.000 1.106 376 Y HN -0.061 8.254 8.280 0.058 0.000 0.649 377 P HA -0.194 nan 4.420 nan 0.000 0.255 377 P C -0.363 177.234 177.300 0.495 0.000 1.173 377 P CA 1.318 64.630 63.100 0.353 0.000 0.780 377 P CB -0.377 31.464 31.700 0.234 0.000 0.758 378 G N 1.868 110.950 108.800 0.470 0.000 2.192 378 G HA2 -0.260 nan 3.960 nan 0.000 0.193 378 G HA3 -0.260 nan 3.960 nan 0.000 0.193 378 G C 0.404 175.547 174.900 0.405 0.000 0.999 378 G CA -0.512 44.823 45.100 0.391 0.000 0.659 378 G HN -0.396 8.562 8.290 0.452 -0.397 0.503 379 W N 2.556 124.118 121.300 0.437 0.000 2.318 379 W HA -0.447 nan 4.660 nan 0.000 0.313 379 W C -0.326 176.368 176.519 0.292 0.000 1.221 379 W CA 4.796 62.386 57.345 0.408 0.000 1.266 379 W CB 0.236 29.895 29.460 0.332 0.000 1.150 379 W HN 0.084 8.699 8.180 0.824 0.060 0.496 380 Y N -0.936 119.589 120.300 0.375 0.000 2.181 380 Y HA -0.604 nan 4.550 nan 0.000 0.288 380 Y C 1.419 177.261 175.900 -0.097 0.000 1.146 380 Y CA 4.304 62.497 58.100 0.155 0.000 1.164 380 Y CB -0.096 38.536 38.460 0.285 0.000 0.982 380 Y HN 0.160 9.247 8.280 0.758 -0.352 0.515 381 D N -3.453 116.911 120.400 -0.059 0.000 2.219 381 D HA -0.279 nan 4.640 nan 0.000 0.205 381 D C 0.860 176.937 176.300 -0.371 0.000 0.970 381 D CA 2.984 56.869 54.000 -0.191 0.000 0.851 381 D CB -0.582 40.202 40.800 -0.027 0.000 0.943 381 D HN 0.332 8.795 8.370 0.156 0.000 0.488 382 H N -0.429 118.304 119.070 -0.563 0.000 2.276 382 H HA -0.024 nan 4.556 nan 0.000 0.324 382 H C 1.646 176.376 175.328 -0.996 0.000 1.093 382 H CA 2.666 58.232 56.048 -0.804 0.000 1.539 382 H CB 1.213 30.326 29.762 -1.081 0.000 1.479 382 H HN -0.829 7.241 8.280 -0.309 0.025 0.582 383 Y N -2.592 117.163 120.300 -0.908 0.000 2.243 383 Y HA -0.218 nan 4.550 nan 0.000 0.293 383 Y C 2.480 177.578 175.900 -1.337 0.000 1.124 383 Y CA 3.046 60.407 58.100 -1.231 0.000 1.159 383 Y CB 0.012 37.665 38.460 -1.345 0.000 1.008 383 Y HN 0.221 7.964 8.280 -0.895 0.000 0.527 384 G N -0.627 107.448 108.800 -1.209 0.000 2.459 384 G HA2 -0.438 nan 3.960 nan 0.000 0.217 384 G HA3 -0.438 nan 3.960 nan 0.000 0.217 384 G C 1.355 175.808 174.900 -0.746 0.000 1.183 384 G CA 2.158 46.795 45.100 -0.772 0.000 0.776 384 G HN -0.077 7.430 8.290 -1.305 0.000 0.552 385 K N 1.264 121.096 120.400 -0.948 0.000 2.147 385 K HA -0.207 nan 4.320 nan 0.000 0.205 385 K C 2.489 178.712 176.600 -0.627 0.000 1.049 385 K CA 1.933 57.809 56.287 -0.685 0.000 0.936 385 K CB -0.496 31.660 32.500 -0.573 0.000 0.722 385 K HN 0.030 7.656 8.250 -1.039 0.000 0.446 386 I N -0.214 119.825 120.570 -0.886 0.000 2.286 386 I HA -0.393 nan 4.170 nan 0.000 0.245 386 I C 1.802 177.155 176.117 -1.272 0.000 1.104 386 I CA 3.807 64.386 61.300 -1.202 0.000 1.397 386 I CB -0.205 36.862 38.000 -1.555 0.000 1.072 386 I HN -0.910 6.612 8.210 -0.971 0.105 0.417 387 Y N -1.169 118.601 120.300 -0.882 0.000 2.224 387 Y HA -0.489 nan 4.550 nan 0.000 0.289 387 Y C 2.579 178.319 175.900 -0.265 0.000 1.146 387 Y CA 2.541 60.303 58.100 -0.563 0.000 1.182 387 Y CB -1.245 37.041 38.460 -0.290 0.000 0.983 387 Y HN -0.090 7.564 8.280 -1.043 0.000 0.524 388 E N -1.419 118.725 120.200 -0.093 0.000 2.072 388 E HA -0.379 nan 4.350 nan 0.000 0.191 388 E C 2.575 179.144 176.600 -0.051 0.000 0.985 388 E CA 3.395 59.781 56.400 -0.022 0.000 0.801 388 E CB -0.316 29.373 29.700 -0.019 0.000 0.750 388 E HN -0.314 7.936 8.360 -0.183 0.000 0.452 389 E N -0.487 119.612 120.200 -0.168 0.000 2.106 389 E HA -0.223 nan 4.350 nan 0.000 0.192 389 E C 2.529 179.143 176.600 0.024 0.000 0.984 389 E CA 2.147 58.489 56.400 -0.097 0.000 0.806 389 E CB -0.893 28.726 29.700 -0.135 0.000 0.750 389 E HN -0.250 7.852 8.360 -0.305 0.075 0.458 390 W N -0.694 120.526 121.300 -0.134 0.000 2.363 390 W HA -0.182 nan 4.660 nan 0.000 0.296 390 W C 2.310 178.871 176.519 0.070 0.000 1.212 390 W CA 1.373 58.722 57.345 0.007 0.000 1.260 390 W CB -0.953 28.633 29.460 0.209 0.000 1.131 390 W HN 0.327 8.411 8.180 -0.160 0.000 0.530 391 R N -0.224 120.443 120.500 0.279 0.000 2.066 391 R HA -0.377 nan 4.340 nan 0.000 0.232 391 R C 2.778 179.155 176.300 0.129 0.000 1.131 391 R CA 3.373 59.599 56.100 0.209 0.000 0.955 391 R CB -0.203 30.191 30.300 0.156 0.000 0.851 391 R HN -0.148 8.263 8.270 0.235 0.000 0.432 392 A N -0.110 122.754 122.820 0.073 0.000 1.930 392 A HA -0.150 nan 4.320 nan 0.000 0.217 392 A C 1.782 179.363 177.584 -0.005 0.000 1.175 392 A CA 2.467 54.523 52.037 0.032 0.000 0.627 392 A CB -0.544 18.464 19.000 0.012 0.000 0.815 392 A HN -0.112 8.080 8.150 0.069 0.000 0.443 393 R N -3.854 116.597 120.500 -0.082 0.000 2.237 393 R HA -0.060 nan 4.340 nan 0.000 0.219 393 R C 0.330 176.581 176.300 -0.082 0.000 1.080 393 R CA -0.123 55.836 56.100 -0.235 0.000 0.995 393 R CB -0.066 29.741 30.300 -0.821 0.000 0.875 393 R HN -0.081 8.148 8.270 -0.070 0.000 0.462 394 G N -2.819 106.025 108.800 0.074 0.000 2.141 394 G HA2 -0.307 nan 3.960 nan 0.000 0.195 394 G HA3 -0.307 nan 3.960 nan 0.000 0.195 394 G C 0.772 175.899 174.900 0.378 0.000 1.012 394 G CA -0.274 44.941 45.100 0.192 0.000 0.696 394 G HN -0.309 7.852 8.290 0.080 0.178 0.508 395 C N -2.887 116.716 119.300 0.505 0.000 2.409 395 C HA -0.244 nan 4.460 nan 0.000 0.284 395 C C 0.643 175.934 174.990 0.502 0.000 1.354 395 C CA 1.181 60.575 59.018 0.626 0.000 1.787 395 C CB -1.273 26.861 27.740 0.658 0.000 1.900 395 C HN -0.056 8.432 8.230 0.431 0.000 0.520 396 E N -0.979 119.483 120.200 0.437 0.000 2.385 396 E HA -0.089 nan 4.350 nan 0.000 0.194 396 E C -0.480 176.471 176.600 0.584 0.000 1.013 396 E CA 0.700 57.373 56.400 0.455 0.000 0.866 396 E CB 0.292 30.197 29.700 0.342 0.000 0.832 396 E HN -0.106 8.445 8.360 0.377 0.035 0.500 397 D N -0.167 120.480 120.400 0.410 0.000 2.233 397 D HA 0.331 nan 4.640 nan 0.000 0.240 397 D C -1.063 175.088 176.300 -0.248 0.000 1.074 397 D CA -3.632 50.440 54.000 0.121 0.000 0.838 397 D CB 1.343 42.178 40.800 0.057 0.000 1.124 397 D HN -0.429 8.038 8.370 0.421 0.156 0.475 398 P HA -0.178 nan 4.420 nan 0.000 0.217 398 P C 0.284 177.163 177.300 -0.702 0.000 1.148 398 P CA 1.997 64.186 63.100 -1.518 0.000 0.828 398 P CB 0.156 31.182 31.700 -1.124 0.000 0.783 399 S N -3.116 112.383 115.700 -0.335 0.000 2.593 399 S HA -0.040 nan 4.470 nan 0.000 0.217 399 S C 1.394 175.952 174.600 -0.069 0.000 0.966 399 S CA 0.956 59.055 58.200 -0.169 0.000 0.914 399 S CB -0.069 63.065 63.200 -0.110 0.000 0.776 399 S HN -0.563 7.922 8.310 -0.276 -0.340 0.523 400 S N 2.450 118.138 115.700 -0.020 0.000 2.383 400 S HA -0.101 nan 4.470 nan 0.000 0.227 400 S C 1.176 175.862 174.600 0.143 0.000 1.026 400 S CA 1.612 59.872 58.200 0.101 0.000 0.981 400 S CB 0.456 63.788 63.200 0.220 0.000 0.818 400 S HN -0.313 7.892 8.310 -0.074 0.060 0.472 401 G N 1.920 110.816 108.800 0.160 0.000 2.136 401 G HA2 -0.248 nan 3.960 nan 0.000 0.242 401 G HA3 -0.248 nan 3.960 nan 0.000 0.242 401 G C -1.349 173.737 174.900 0.310 0.000 0.989 401 G CA 0.086 45.300 45.100 0.191 0.000 0.682 401 G HN -0.316 8.036 8.290 0.104 0.000 0.522 402 F N 0.264 120.366 119.950 0.254 0.000 2.482 402 F HA 0.194 nan 4.527 nan 0.000 0.331 402 F C -2.483 173.463 175.800 0.243 0.000 1.115 402 F CA -1.043 57.079 58.000 0.204 0.000 0.955 402 F CB 2.196 41.298 39.000 0.171 0.000 1.136 402 F HN -0.616 7.983 8.300 0.546 0.029 0.452 403 I N 5.994 126.183 120.570 -0.635 0.000 2.545 403 I HA 0.411 nan 4.170 nan 0.000 0.292 403 I C -1.523 173.814 176.117 -1.300 0.000 1.040 403 I CA -4.331 56.562 61.300 -0.679 0.000 1.068 403 I CB 3.428 41.129 38.000 -0.497 0.000 1.251 403 I HN -0.361 7.433 8.210 -0.694 0.000 0.424 404 P HA -0.128 nan 4.420 nan 0.000 0.223 404 P C 0.670 177.723 177.300 -0.412 0.000 1.144 404 P CA 2.081 64.480 63.100 -1.169 0.000 0.783 404 P CB -0.089 30.697 31.700 -1.522 0.000 0.771 405 L N -2.693 118.332 121.223 -0.330 0.000 2.079 405 L HA -0.419 nan 4.340 nan 0.000 0.210 405 L C 1.583 178.474 176.870 0.035 0.000 1.081 405 L CA 2.952 57.744 54.840 -0.080 0.000 0.752 405 L CB -0.282 41.628 42.059 -0.248 0.000 0.896 405 L HN -0.682 7.224 8.230 -0.491 0.029 0.433 406 M N -2.611 116.909 119.600 -0.134 0.000 2.149 406 M HA -0.436 nan 4.480 nan 0.000 0.261 406 M C 1.597 178.008 176.300 0.185 0.000 1.064 406 M CA 4.110 59.401 55.300 -0.014 0.000 1.102 406 M CB -0.343 32.225 32.600 -0.053 0.000 1.369 406 M HN -0.225 7.832 8.290 -0.357 0.020 0.408 407 W N -0.176 121.179 121.300 0.092 0.000 2.388 407 W HA -0.359 nan 4.660 nan 0.000 0.294 407 W C 1.293 177.847 176.519 0.057 0.000 1.212 407 W CA 4.579 62.025 57.345 0.170 0.000 1.271 407 W CB -0.164 29.484 29.460 0.314 0.000 1.126 407 W HN -0.371 7.841 8.180 0.274 0.133 0.535 408 F N -1.974 118.185 119.950 0.349 0.000 2.171 408 F HA -0.480 nan 4.527 nan 0.000 0.300 408 F C 1.931 177.690 175.800 -0.069 0.000 1.090 408 F CA 4.312 62.416 58.000 0.174 0.000 1.293 408 F CB -0.308 38.794 39.000 0.170 0.000 1.013 408 F HN -0.966 7.662 8.300 0.692 0.087 0.486 409 I N -1.484 119.139 120.570 0.088 0.000 2.193 409 I HA -0.402 nan 4.170 nan 0.000 0.240 409 I C 2.503 178.547 176.117 -0.122 0.000 1.084 409 I CA 1.985 63.259 61.300 -0.044 0.000 1.365 409 I CB -1.361 36.610 38.000 -0.048 0.000 1.064 409 I HN -0.223 7.989 8.210 0.162 0.095 0.410 410 E N 0.190 120.321 120.200 -0.115 0.000 2.409 410 E HA -0.291 nan 4.350 nan 0.000 0.198 410 E C 1.039 177.464 176.600 -0.292 0.000 1.024 410 E CA 2.574 58.880 56.400 -0.156 0.000 0.861 410 E CB -0.439 29.214 29.700 -0.078 0.000 0.788 410 E HN 0.349 8.679 8.360 -0.050 0.000 0.521 411 N N -1.126 117.300 118.700 -0.456 0.000 2.275 411 N HA 0.088 nan 4.740 nan 0.000 0.236 411 N C -1.400 173.656 175.510 -0.757 0.000 1.154 411 N CA -0.824 51.831 53.050 -0.659 0.000 0.866 411 N CB 0.202 38.062 38.487 -1.045 0.000 1.093 411 N HN -0.442 7.651 8.380 -0.427 0.031 0.515 412 N N -0.736 117.681 118.700 -0.472 0.000 2.666 412 N HA -0.516 nan 4.740 nan 0.000 0.274 412 N C -1.329 173.940 175.510 -0.403 0.000 1.043 412 N CA 1.565 54.395 53.050 -0.366 0.000 0.782 412 N CB -0.729 37.579 38.487 -0.299 0.000 0.912 412 N HN -0.414 7.580 8.380 -0.352 0.174 0.556 413 H N 1.235 120.242 119.070 -0.105 0.000 2.530 413 H HA 0.291 nan 4.556 nan 0.000 0.246 413 H C -2.329 173.016 175.328 0.029 0.000 1.346 413 H CA -2.473 53.578 56.048 0.005 0.000 1.424 413 H CB 0.962 30.759 29.762 0.058 0.000 1.445 413 H HN -0.068 8.065 8.280 -0.083 0.097 0.511 414 P HA 0.010 nan 4.420 nan 0.000 0.268 414 P C -1.375 175.607 177.300 -0.531 0.000 1.205 414 P CA -0.172 62.675 63.100 -0.422 0.000 0.771 414 P CB 0.778 32.088 31.700 -0.649 0.000 0.858 415 I N 1.524 121.721 120.570 -0.622 0.000 2.339 415 I HA 0.040 nan 4.170 nan 0.000 0.290 415 I C -1.009 174.749 176.117 -0.599 0.000 0.994 415 I CA -0.586 60.443 61.300 -0.452 0.000 1.191 415 I CB 0.969 38.832 38.000 -0.229 0.000 1.343 415 I HN -0.236 7.579 8.210 -0.658 0.000 0.458 416 Y N 6.237 126.345 120.300 -0.320 0.000 2.487 416 Y HA 0.184 nan 4.550 nan 0.000 0.337 416 Y C -1.294 174.598 175.900 -0.012 0.000 1.076 416 Y CA -1.581 56.346 58.100 -0.288 0.000 1.115 416 Y CB 3.437 41.497 38.460 -0.667 0.000 1.235 416 Y HN 0.511 8.538 8.280 -0.421 0.000 0.468 417 I N 0.476 121.248 120.570 0.337 0.000 2.378 417 I HA 0.029 nan 4.170 nan 0.000 0.291 417 I C 0.107 176.408 176.117 0.306 0.000 0.992 417 I CA -2.199 59.284 61.300 0.305 0.000 1.154 417 I CB 0.749 38.852 38.000 0.173 0.000 1.315 417 I HN 0.075 8.483 8.210 0.330 0.000 0.448 418 D N 7.877 128.458 120.400 0.301 0.000 2.393 418 D HA -0.280 nan 4.640 nan 0.000 0.220 418 D C 1.102 177.339 176.300 -0.105 0.000 0.974 418 D CA 2.029 56.090 54.000 0.101 0.000 0.931 418 D CB 0.437 41.253 40.800 0.027 0.000 0.889 418 D HN 0.111 8.680 8.370 0.332 0.000 0.512 419 R N -3.866 116.579 120.500 -0.092 0.000 2.403 419 R HA -0.502 nan 4.340 nan 0.000 0.152 419 R C 0.137 176.479 176.300 0.070 0.000 0.891 419 R CA 2.813 58.867 56.100 -0.077 0.000 1.875 419 R CB -1.500 28.583 30.300 -0.363 0.000 0.955 419 R HN -0.524 7.672 8.270 -0.018 0.063 0.659 420 V N -3.198 116.758 119.914 0.071 0.000 2.339 420 V HA -0.097 nan 4.120 nan 0.000 0.234 420 V C 1.411 177.513 176.094 0.013 0.000 1.053 420 V CA 2.223 64.495 62.300 -0.047 0.000 1.042 420 V CB 0.135 31.854 31.823 -0.173 0.000 0.678 420 V HN -0.269 8.071 8.190 0.088 -0.097 0.475 421 S N -0.120 115.596 115.700 0.026 0.000 2.481 421 S HA -0.273 nan 4.470 nan 0.000 0.231 421 S C 0.304 174.899 174.600 -0.009 0.000 0.996 421 S CA 1.918 60.123 58.200 0.008 0.000 0.942 421 S CB 0.851 64.062 63.200 0.019 0.000 0.768 421 S HN -0.396 8.218 8.310 0.050 -0.274 0.520 422 Q N -4.796 115.017 119.800 0.021 0.000 2.424 422 Q HA -0.260 nan 4.340 nan 0.000 0.234 422 Q C -0.989 175.058 176.000 0.080 0.000 0.748 422 Q CA 0.439 56.256 55.803 0.024 0.000 1.286 422 Q CB -2.282 26.424 28.738 -0.053 0.000 1.494 422 Q HN -0.053 8.196 8.270 0.036 0.043 0.683 423 V N 2.537 122.517 119.914 0.110 0.000 2.508 423 V HA 0.089 nan 4.120 nan 0.000 0.281 423 V C -1.793 174.447 176.094 0.244 0.000 1.041 423 V CA -1.440 60.950 62.300 0.149 0.000 1.016 423 V CB -0.487 31.392 31.823 0.094 0.000 0.984 423 V HN -0.671 7.516 8.190 0.080 0.051 0.478 424 P HA 0.362 nan 4.420 nan 0.000 0.269 424 P C -1.977 175.578 177.300 0.424 0.000 1.209 424 P CA 0.477 63.754 63.100 0.296 0.000 0.776 424 P CB 0.232 32.027 31.700 0.158 0.000 0.876 425 F N -1.300 118.739 119.950 0.149 0.000 2.654 425 F HA 0.299 nan 4.527 nan 0.000 0.308 425 F C -3.137 172.780 175.800 0.195 0.000 1.108 425 F CA -1.918 56.183 58.000 0.168 0.000 0.957 425 F CB 2.218 41.324 39.000 0.177 0.000 1.309 425 F HN 0.245 8.699 8.300 0.255 0.000 0.446 426 C N 3.670 123.093 119.300 0.204 0.000 2.653 426 C HA 0.486 nan 4.460 nan 0.000 0.291 426 C C -1.130 173.981 174.990 0.203 0.000 1.064 426 C CA -4.056 55.032 59.018 0.118 0.000 1.469 426 C CB 0.086 27.950 27.740 0.207 0.000 1.861 426 C HN 0.431 8.854 8.230 0.322 0.000 0.434 427 P HA -0.104 nan 4.420 nan 0.000 0.218 427 P C 0.383 177.803 177.300 0.201 0.000 1.149 427 P CA 2.108 65.371 63.100 0.270 0.000 0.817 427 P CB 0.021 31.901 31.700 0.301 0.000 0.785 428 S N -2.358 113.458 115.700 0.194 0.000 2.481 428 S HA -0.156 nan 4.470 nan 0.000 0.231 428 S C 0.995 175.664 174.600 0.115 0.000 0.996 428 S CA 2.379 60.688 58.200 0.182 0.000 0.942 428 S CB -0.657 62.703 63.200 0.267 0.000 0.768 428 S HN 0.203 8.622 8.310 0.207 0.015 0.520 429 L N 0.533 121.791 121.223 0.058 0.000 2.500 429 L HA 0.087 nan 4.340 nan 0.000 0.219 429 L C -0.763 176.151 176.870 0.073 0.000 1.057 429 L CA -0.054 54.772 54.840 -0.024 0.000 0.854 429 L CB 1.187 43.182 42.059 -0.107 0.000 1.078 429 L HN -0.660 7.598 8.230 0.117 0.042 0.480 430 A N -2.033 120.855 122.820 0.113 0.000 2.565 430 A HA -0.198 nan 4.320 nan 0.000 0.237 430 A C 0.041 177.604 177.584 -0.035 0.000 1.053 430 A CA 1.076 53.176 52.037 0.105 0.000 0.755 430 A CB 0.144 19.265 19.000 0.201 0.000 0.980 430 A HN -0.442 7.796 8.150 0.147 0.000 0.506 431 K N 3.980 124.273 120.400 -0.179 0.000 2.400 431 K HA -0.086 nan 4.320 nan 0.000 0.194 431 K C 0.209 176.817 176.600 0.012 0.000 1.033 431 K CA 0.368 56.448 56.287 -0.345 0.000 1.021 431 K CB 0.345 32.260 32.500 -0.976 0.000 0.808 431 K HN -0.013 8.523 8.250 -0.123 -0.359 0.505 432 G N -2.755 106.161 108.800 0.193 0.000 2.543 432 G HA2 0.106 nan 3.960 nan 0.000 0.290 432 G HA3 0.106 nan 3.960 nan 0.000 0.290 432 G C -1.407 173.633 174.900 0.233 0.000 1.310 432 G CA -1.113 44.171 45.100 0.308 0.000 1.025 432 G HN -0.767 7.690 8.290 0.167 -0.067 0.502 433 A N -0.775 122.186 122.820 0.236 0.000 2.457 433 A HA 0.094 nan 4.320 nan 0.000 0.298 433 A C -0.858 176.846 177.584 0.199 0.000 1.288 433 A CA 0.033 52.195 52.037 0.208 0.000 0.956 433 A CB -0.567 18.569 19.000 0.227 0.000 1.135 433 A HN -0.366 8.187 8.150 0.253 -0.251 0.535 434 S N 3.695 119.511 115.700 0.193 0.000 2.622 434 S HA 0.250 nan 4.470 nan 0.000 0.283 434 S C -0.651 174.076 174.600 0.211 0.000 1.197 434 S CA -1.167 57.169 58.200 0.226 0.000 1.146 434 S CB 0.497 63.865 63.200 0.281 0.000 1.007 434 S HN -0.361 8.056 8.310 0.179 0.000 0.478 435 T N 0.622 115.276 114.554 0.167 0.000 2.809 435 T HA 0.305 nan 4.350 nan 0.000 0.296 435 T C -0.837 173.965 174.700 0.170 0.000 1.015 435 T CA -1.304 60.886 62.100 0.150 0.000 0.954 435 T CB 1.166 70.090 68.868 0.093 0.000 0.950 435 T HN -0.098 8.216 8.240 0.124 0.000 0.450 436 L N 4.724 126.079 121.223 0.219 0.000 2.410 436 L HA 0.042 nan 4.340 nan 0.000 0.273 436 L C -0.591 176.291 176.870 0.019 0.000 1.144 436 L CA 0.359 55.306 54.840 0.179 0.000 0.863 436 L CB 0.573 42.670 42.059 0.063 0.000 1.140 436 L HN 0.565 8.914 8.230 0.198 0.000 0.463 437 R N 6.284 126.772 120.500 -0.020 0.000 2.480 437 R HA 0.317 nan 4.340 nan 0.000 0.306 437 R C -1.966 174.159 176.300 -0.292 0.000 0.958 437 R CA -0.965 55.058 56.100 -0.128 0.000 0.861 437 R CB 2.456 32.727 30.300 -0.049 0.000 1.171 437 R HN 0.387 8.686 8.270 0.048 0.000 0.445 438 V N 3.908 123.548 119.914 -0.455 0.000 2.588 438 V HA 0.592 nan 4.120 nan 0.000 0.304 438 V C -0.766 175.057 176.094 -0.452 0.000 1.042 438 V CA -1.192 60.790 62.300 -0.530 0.000 0.877 438 V CB 1.778 33.132 31.823 -0.782 0.000 0.996 438 V HN 0.333 8.284 8.190 -0.399 0.000 0.425 439 H N 6.003 125.019 119.070 -0.090 0.000 2.768 439 H HA 0.328 nan 4.556 nan 0.000 0.371 439 H C -2.125 173.217 175.328 0.023 0.000 1.151 439 H CA -1.788 54.262 56.048 0.004 0.000 1.165 439 H CB 4.249 34.072 29.762 0.100 0.000 1.722 439 H HN 0.693 8.840 8.280 -0.221 0.000 0.543 440 E N 2.171 122.499 120.200 0.213 0.000 2.166 440 E HA 0.410 nan 4.350 nan 0.000 0.275 440 E C -1.683 175.116 176.600 0.331 0.000 0.941 440 E CA -1.347 55.155 56.400 0.170 0.000 0.784 440 E CB 2.108 31.860 29.700 0.087 0.000 1.115 440 E HN 0.236 8.728 8.360 0.220 0.000 0.399 441 Y N 7.914 128.369 120.300 0.259 0.000 2.354 441 Y HA 0.185 nan 4.550 nan 0.000 0.330 441 Y C -1.134 174.914 175.900 0.247 0.000 1.011 441 Y CA -0.004 58.283 58.100 0.311 0.000 1.099 441 Y CB 2.595 41.390 38.460 0.558 0.000 1.179 441 Y HN 0.992 9.517 8.280 0.410 0.000 0.442 442 N N 8.360 126.918 118.700 -0.237 0.000 2.714 442 N HA -0.356 nan 4.740 nan 0.000 0.252 442 N C -0.065 175.441 175.510 -0.005 0.000 1.014 442 N CA 0.441 53.379 53.050 -0.187 0.000 0.735 442 N CB -0.660 37.658 38.487 -0.281 0.000 0.924 442 N HN 0.761 8.941 8.380 -0.333 0.000 0.540 443 G N -5.936 102.872 108.800 0.012 0.000 2.143 443 G HA2 -0.414 nan 3.960 nan 0.000 0.249 443 G HA3 -0.414 nan 3.960 nan 0.000 0.249 443 G C -1.364 173.552 174.900 0.027 0.000 0.981 443 G CA -0.117 44.996 45.100 0.021 0.000 0.665 443 G HN 0.085 8.377 8.290 0.003 0.000 0.528 444 E N -0.293 119.929 120.200 0.037 0.000 2.314 444 E HA 0.310 nan 4.350 nan 0.000 0.272 444 E C -1.713 174.740 176.600 -0.245 0.000 0.884 444 E CA -1.710 54.641 56.400 -0.081 0.000 0.753 444 E CB 2.686 32.356 29.700 -0.050 0.000 1.213 444 E HN -0.503 7.770 8.360 0.099 0.147 0.432 445 M N 2.826 122.224 119.600 -0.336 0.000 2.363 445 M HA 0.577 nan 4.480 nan 0.000 0.343 445 M C -1.122 174.834 176.300 -0.574 0.000 1.165 445 M CA -0.601 54.506 55.300 -0.322 0.000 1.046 445 M CB 2.349 34.856 32.600 -0.154 0.000 1.648 445 M HN 0.321 8.454 8.290 -0.262 0.000 0.452 446 H N -0.568 118.353 119.070 -0.248 0.000 2.851 446 H HA 0.439 nan 4.556 nan 0.000 0.372 446 H C -1.439 173.480 175.328 -0.683 0.000 1.158 446 H CA -0.991 54.756 56.048 -0.503 0.000 1.159 446 H CB 4.247 33.570 29.762 -0.732 0.000 1.757 446 H HN 0.741 8.885 8.280 -0.226 0.000 0.546 447 T N 3.283 117.394 114.554 -0.740 0.000 2.807 447 T HA 0.623 nan 4.350 nan 0.000 0.279 447 T C -1.681 172.478 174.700 -0.902 0.000 0.993 447 T CA -0.627 61.097 62.100 -0.626 0.000 0.970 447 T CB 1.127 69.829 68.868 -0.277 0.000 0.950 447 T HN 0.439 8.255 8.240 -0.706 0.000 0.441 448 F N 3.560 123.466 119.950 -0.074 0.000 2.593 448 F HA 0.540 nan 4.527 nan 0.000 0.320 448 F C 0.037 175.763 175.800 -0.123 0.000 1.060 448 F CA -2.351 55.594 58.000 -0.093 0.000 0.940 448 F CB 4.099 43.015 39.000 -0.140 0.000 1.268 448 F HN 0.629 8.741 8.300 -0.146 0.100 0.475 449 S N -0.849 114.758 115.700 -0.154 0.000 2.526 449 S HA 0.128 nan 4.470 nan 0.000 0.220 449 S C -1.028 173.518 174.600 -0.091 0.000 1.017 449 S CA 0.095 58.013 58.200 -0.470 0.000 0.930 449 S CB 1.626 64.140 63.200 -1.143 0.000 0.856 449 S HN 0.225 8.673 8.310 -0.030 -0.156 0.497 450 D N -3.462 116.969 120.400 0.052 0.000 2.623 450 D HA 0.098 nan 4.640 nan 0.000 0.241 450 D C -0.635 175.651 176.300 -0.024 0.000 1.241 450 D CA -0.065 53.994 54.000 0.098 0.000 0.788 450 D CB 2.563 43.560 40.800 0.329 0.000 1.413 450 D HN -0.833 7.590 8.370 0.090 0.000 0.429 451 Q N 0.201 119.880 119.800 -0.201 0.000 2.291 451 Q HA -0.262 nan 4.340 nan 0.000 0.206 451 Q C 1.673 177.352 176.000 -0.535 0.000 0.976 451 Q CA 2.975 58.526 55.803 -0.422 0.000 0.875 451 Q CB -0.288 28.080 28.738 -0.616 0.000 0.927 451 Q HN 0.527 8.698 8.270 -0.166 0.000 0.450 452 W N -0.324 120.762 121.300 -0.357 0.000 2.453 452 W HA -0.106 nan 4.660 nan 0.000 0.289 452 W C 2.340 178.719 176.519 -0.232 0.000 1.215 452 W CA 2.196 59.266 57.345 -0.459 0.000 1.297 452 W CB -0.058 28.683 29.460 -1.197 0.000 1.113 452 W HN -0.370 7.712 8.180 -0.356 -0.115 0.551 453 G N -1.376 107.484 108.800 0.099 0.000 2.408 453 G HA2 -0.334 nan 3.960 nan 0.000 0.215 453 G HA3 -0.334 nan 3.960 nan 0.000 0.215 453 G C 0.456 175.293 174.900 -0.106 0.000 1.156 453 G CA 1.465 46.624 45.100 0.098 0.000 0.793 453 G HN -0.112 8.533 8.290 0.132 -0.275 0.535 454 E N 2.219 122.272 120.200 -0.245 0.000 2.058 454 E HA -0.428 nan 4.350 nan 0.000 0.194 454 E C 1.685 178.084 176.600 -0.336 0.000 0.997 454 E CA 3.388 59.425 56.400 -0.606 0.000 0.801 454 E CB -0.061 29.394 29.700 -0.409 0.000 0.746 454 E HN -0.332 7.956 8.360 -0.120 0.000 0.450 455 R N -1.506 118.875 120.500 -0.199 0.000 2.091 455 R HA -0.312 nan 4.340 nan 0.000 0.238 455 R C 2.508 178.777 176.300 -0.052 0.000 1.136 455 R CA 3.247 59.276 56.100 -0.118 0.000 0.959 455 R CB -0.226 30.013 30.300 -0.101 0.000 0.856 455 R HN -0.538 7.603 8.270 -0.214 0.000 0.437 456 M N -1.190 118.400 119.600 -0.017 0.000 2.080 456 M HA -0.448 nan 4.480 nan 0.000 0.260 456 M C 2.215 178.564 176.300 0.082 0.000 1.068 456 M CA 3.933 59.265 55.300 0.054 0.000 1.109 456 M CB -0.210 32.403 32.600 0.022 0.000 1.342 456 M HN -0.583 7.616 8.290 -0.030 0.073 0.405 457 W N -0.807 120.388 121.300 -0.174 0.000 2.379 457 W HA -0.356 nan 4.660 nan 0.000 0.307 457 W C 1.267 177.711 176.519 -0.125 0.000 1.200 457 W CA 3.423 60.724 57.345 -0.073 0.000 1.297 457 W CB -0.016 29.350 29.460 -0.156 0.000 1.140 457 W HN -0.291 7.883 8.180 -0.010 0.000 0.507 458 L N -2.358 118.848 121.223 -0.029 0.000 2.012 458 L HA -0.322 nan 4.340 nan 0.000 0.210 458 L C 1.889 178.594 176.870 -0.276 0.000 1.073 458 L CA 2.150 56.892 54.840 -0.164 0.000 0.748 458 L CB -0.231 41.792 42.059 -0.060 0.000 0.891 458 L HN -0.299 7.951 8.230 0.032 0.000 0.431 459 A N -2.400 120.321 122.820 -0.164 0.000 1.969 459 A HA -0.160 nan 4.320 nan 0.000 0.218 459 A C 0.365 177.851 177.584 -0.162 0.000 1.169 459 A CA 1.967 53.926 52.037 -0.130 0.000 0.635 459 A CB 0.698 19.668 19.000 -0.049 0.000 0.810 459 A HN 0.038 8.122 8.150 -0.109 0.000 0.445 460 E N -4.393 115.700 120.200 -0.178 0.000 4.052 460 E HA 0.334 nan 4.350 nan 0.000 0.219 460 E C -2.096 174.326 176.600 -0.298 0.000 1.166 460 E CA -3.439 52.861 56.400 -0.167 0.000 1.338 460 E CB -0.110 29.584 29.700 -0.010 0.000 1.212 460 E HN -0.261 7.906 8.360 -0.160 0.097 0.432 461 P HA -0.170 nan 4.420 nan 0.000 0.220 461 P C 0.568 177.642 177.300 -0.376 0.000 1.148 461 P CA 2.236 64.758 63.100 -0.963 0.000 0.803 461 P CB -0.021 30.889 31.700 -1.317 0.000 0.782 462 E N -2.350 117.695 120.200 -0.259 0.000 2.502 462 E HA -0.113 nan 4.350 nan 0.000 0.194 462 E C 0.750 177.246 176.600 -0.173 0.000 1.062 462 E CA 1.280 57.594 56.400 -0.144 0.000 0.867 462 E CB -1.822 27.811 29.700 -0.111 0.000 0.888 462 E HN 0.427 8.575 8.360 -0.285 0.041 0.510 463 R N -1.531 118.790 120.500 -0.298 0.000 2.210 463 R HA -0.060 nan 4.340 nan 0.000 0.203 463 R C 0.754 176.659 176.300 -0.658 0.000 1.010 463 R CA 1.257 57.035 56.100 -0.536 0.000 1.008 463 R CB 0.995 30.792 30.300 -0.838 0.000 0.923 463 R HN -0.396 7.646 8.270 -0.293 0.052 0.469 464 Y N -0.963 119.378 120.300 0.069 0.000 2.747 464 Y HA 0.161 nan 4.550 nan 0.000 0.362 464 Y C -1.817 174.230 175.900 0.245 0.000 1.026 464 Y CA -1.619 56.593 58.100 0.186 0.000 1.135 464 Y CB -0.880 37.797 38.460 0.360 0.000 1.175 464 Y HN -0.594 7.478 8.280 -0.084 0.157 0.643 465 E N -0.483 119.856 120.200 0.231 0.000 2.624 465 E HA 0.089 nan 4.350 nan 0.000 0.210 465 E C -0.834 175.858 176.600 0.153 0.000 0.997 465 E CA -0.772 55.757 56.400 0.215 0.000 0.999 465 E CB 0.440 30.224 29.700 0.141 0.000 1.040 465 E HN 0.082 8.521 8.360 0.133 0.000 0.469 466 C N 2.102 121.482 119.300 0.133 0.000 2.651 466 C HA 0.036 nan 4.460 nan 0.000 0.410 466 C C 0.283 175.297 174.990 0.040 0.000 1.372 466 C CA -0.059 58.995 59.018 0.060 0.000 1.707 466 C CB -0.047 27.716 27.740 0.039 0.000 2.501 466 C HN 0.082 8.421 8.230 0.181 0.000 0.598 467 Q N 7.732 127.533 119.800 0.002 0.000 2.364 467 Q HA 0.057 nan 4.340 nan 0.000 0.267 467 Q C -1.107 174.840 176.000 -0.089 0.000 0.999 467 Q CA 0.941 56.724 55.803 -0.032 0.000 0.886 467 Q CB 0.805 29.510 28.738 -0.055 0.000 1.243 467 Q HN 0.366 8.633 8.270 -0.006 0.000 0.415 468 N N 2.386 121.023 118.700 -0.105 0.000 2.502 468 N HA 0.098 nan 4.740 nan 0.000 0.280 468 N C 0.125 175.427 175.510 -0.345 0.000 1.223 468 N CA -1.834 51.118 53.050 -0.163 0.000 0.966 468 N CB 1.156 39.608 38.487 -0.059 0.000 1.203 468 N HN 0.126 8.731 8.380 -0.078 -0.271 0.565 469 I N -0.218 120.038 120.570 -0.523 0.000 2.208 469 I HA -0.365 nan 4.170 nan 0.000 0.245 469 I C 1.424 176.966 176.117 -0.958 0.000 1.097 469 I CA 3.862 64.601 61.300 -0.936 0.000 1.363 469 I CB 0.297 37.789 38.000 -0.846 0.000 1.051 469 I HN 0.300 8.259 8.210 -0.418 0.000 0.413 470 F N -2.067 117.690 119.950 -0.323 0.000 2.325 470 F HA -0.325 nan 4.527 nan 0.000 0.299 470 F C 2.320 178.019 175.800 -0.168 0.000 1.090 470 F CA 2.698 60.578 58.000 -0.199 0.000 1.392 470 F CB -0.805 38.153 39.000 -0.070 0.000 1.053 470 F HN -0.667 7.437 8.300 -0.519 -0.116 0.521 471 E N -0.520 119.662 120.200 -0.029 0.000 2.046 471 E HA -0.318 nan 4.350 nan 0.000 0.190 471 E C 2.266 178.814 176.600 -0.087 0.000 0.982 471 E CA 2.688 59.068 56.400 -0.034 0.000 0.800 471 E CB -0.370 29.307 29.700 -0.037 0.000 0.756 471 E HN 0.042 8.684 8.360 -0.072 -0.326 0.449 472 Q N -0.931 118.735 119.800 -0.225 0.000 2.123 472 Q HA -0.171 nan 4.340 nan 0.000 0.199 472 Q C 1.648 177.595 176.000 -0.088 0.000 0.966 472 Q CA 2.199 57.877 55.803 -0.209 0.000 0.845 472 Q CB 0.326 28.846 28.738 -0.364 0.000 0.907 472 Q HN -0.408 7.671 8.270 -0.318 0.000 0.439 473 Y N -5.131 115.014 120.300 -0.259 0.000 2.457 473 Y HA 0.120 nan 4.550 nan 0.000 0.263 473 Y C -0.446 175.406 175.900 -0.081 0.000 1.164 473 Y CA -2.377 55.529 58.100 -0.323 0.000 1.274 473 Y CB -0.154 37.717 38.460 -0.982 0.000 1.097 473 Y HN -0.442 7.549 8.280 -0.482 0.000 0.523 474 E N 0.616 120.890 120.200 0.123 0.000 2.608 474 E HA -0.478 nan 4.350 nan 0.000 0.259 474 E C 0.918 177.604 176.600 0.143 0.000 0.951 474 E CA 1.758 58.256 56.400 0.164 0.000 0.945 474 E CB -0.093 29.667 29.700 0.100 0.000 0.916 474 E HN -0.643 7.690 8.360 0.048 0.055 0.477 475 G N 6.820 115.715 108.800 0.159 0.000 2.148 475 G HA2 -0.523 nan 3.960 nan 0.000 0.254 475 G HA3 -0.523 nan 3.960 nan 0.000 0.254 475 G C -1.130 173.836 174.900 0.111 0.000 0.981 475 G CA 0.212 45.374 45.100 0.105 0.000 0.670 475 G HN 0.756 9.058 8.290 0.201 0.109 0.528 476 R N -0.660 119.953 120.500 0.188 0.000 2.532 476 R HA 0.244 nan 4.340 nan 0.000 0.295 476 R C -1.513 174.889 176.300 0.170 0.000 0.968 476 R CA -1.679 54.513 56.100 0.154 0.000 0.916 476 R CB 1.724 32.103 30.300 0.132 0.000 1.124 476 R HN -0.107 8.276 8.270 0.280 0.055 0.463 477 E N 2.825 123.051 120.200 0.044 0.000 2.338 477 E HA 0.112 nan 4.350 nan 0.000 0.272 477 E C 0.788 177.357 176.600 -0.050 0.000 1.029 477 E CA -0.546 55.830 56.400 -0.040 0.000 0.872 477 E CB 1.374 31.044 29.700 -0.049 0.000 1.015 477 E HN -0.242 8.431 8.360 0.028 -0.296 0.417 478 L N 8.199 129.325 121.223 -0.161 0.000 2.051 478 L HA -0.386 nan 4.340 nan 0.000 0.214 478 L C 0.899 177.693 176.870 -0.127 0.000 1.076 478 L CA 3.593 58.338 54.840 -0.159 0.000 0.758 478 L CB 0.074 41.927 42.059 -0.343 0.000 0.890 478 L HN 0.663 8.738 8.230 -0.258 0.000 0.433 479 S N -3.199 112.430 115.700 -0.119 0.000 2.428 479 S HA -0.314 nan 4.470 nan 0.000 0.230 479 S C 1.750 176.292 174.600 -0.097 0.000 1.014 479 S CA 3.082 61.221 58.200 -0.102 0.000 0.957 479 S CB -0.048 63.109 63.200 -0.071 0.000 0.784 479 S HN -0.355 8.315 8.310 -0.114 -0.428 0.499 480 E N 0.088 120.236 120.200 -0.088 0.000 2.216 480 E HA -0.131 nan 4.350 nan 0.000 0.192 480 E C 1.731 178.253 176.600 -0.129 0.000 0.988 480 E CA 2.138 58.484 56.400 -0.089 0.000 0.834 480 E CB -0.479 29.184 29.700 -0.062 0.000 0.772 480 E HN -0.278 8.110 8.360 -0.077 -0.074 0.479 481 V N 1.818 121.632 119.914 -0.168 0.000 2.244 481 V HA -0.334 nan 4.120 nan 0.000 0.244 481 V C 2.046 177.995 176.094 -0.242 0.000 1.042 481 V CA 4.112 66.238 62.300 -0.289 0.000 1.006 481 V CB -0.743 30.770 31.823 -0.517 0.000 0.641 481 V HN -0.755 7.248 8.190 -0.133 0.108 0.446 482 I N -1.271 119.180 120.570 -0.199 0.000 2.151 482 I HA -0.521 nan 4.170 nan 0.000 0.243 482 I C 2.028 178.060 176.117 -0.142 0.000 1.080 482 I CA 2.303 63.509 61.300 -0.156 0.000 1.339 482 I CB -2.365 35.555 38.000 -0.132 0.000 1.039 482 I HN -0.434 7.663 8.210 -0.188 0.000 0.409 483 A N -1.495 121.244 122.820 -0.135 0.000 1.902 483 A HA -0.318 nan 4.320 nan 0.000 0.217 483 A C 2.643 180.085 177.584 -0.238 0.000 1.181 483 A CA 3.194 55.148 52.037 -0.139 0.000 0.623 483 A CB -0.926 18.012 19.000 -0.104 0.000 0.818 483 A HN 0.298 8.372 8.150 -0.127 0.000 0.443 484 E N 0.194 120.254 120.200 -0.233 0.000 2.077 484 E HA -0.238 nan 4.350 nan 0.000 0.193 484 E C 1.644 177.992 176.600 -0.420 0.000 0.989 484 E CA 2.394 58.620 56.400 -0.291 0.000 0.800 484 E CB 0.238 29.832 29.700 -0.176 0.000 0.746 484 E HN -0.498 7.751 8.360 -0.186 0.000 0.452 485 L N -4.109 116.954 121.223 -0.266 0.000 2.627 485 L HA 0.042 nan 4.340 nan 0.000 0.232 485 L C -1.113 175.725 176.870 -0.054 0.000 1.150 485 L CA -0.339 54.416 54.840 -0.142 0.000 0.917 485 L CB -0.332 41.684 42.059 -0.072 0.000 1.104 485 L HN -0.389 7.709 8.230 -0.219 0.000 0.445 486 H N -5.120 113.921 119.070 -0.047 0.000 2.839 486 H HA -0.273 nan 4.556 nan 0.000 0.298 486 H C 0.702 176.008 175.328 -0.037 0.000 1.224 486 H CA 0.597 56.622 56.048 -0.038 0.000 1.144 486 H CB -2.755 26.985 29.762 -0.035 0.000 1.372 486 H HN -0.478 7.352 8.280 -0.414 0.201 0.408 487 G N -1.438 107.370 108.800 0.012 0.000 3.455 487 G HA2 0.052 nan 3.960 nan 0.000 0.250 487 G HA3 0.052 nan 3.960 nan 0.000 0.250 487 G C -2.122 172.785 174.900 0.011 0.000 1.071 487 G CA -0.068 45.035 45.100 0.005 0.000 1.812 487 G HN 0.220 8.486 8.290 -0.041 0.000 0.643 488 L N -1.111 120.133 121.223 0.035 0.000 2.370 488 L HA 0.520 nan 4.340 nan 0.000 0.266 488 L C -1.037 175.857 176.870 0.039 0.000 1.002 488 L CA -1.203 53.657 54.840 0.033 0.000 0.818 488 L CB 3.431 45.509 42.059 0.031 0.000 1.325 488 L HN -0.617 7.581 8.230 0.057 0.066 0.418 489 R N 0.171 120.692 120.500 0.035 0.000 2.801 489 R HA 0.060 nan 4.340 nan 0.000 0.273 489 R C 1.621 177.939 176.300 0.030 0.000 1.080 489 R CA 0.302 56.422 56.100 0.033 0.000 1.197 489 R CB 1.098 31.418 30.300 0.033 0.000 1.109 489 R HN 0.497 8.788 8.270 0.035 0.000 0.535 490 S N -0.348 115.367 115.700 0.025 0.000 2.595 490 S HA -0.221 nan 4.470 nan 0.000 0.235 490 S C 0.170 174.782 174.600 0.019 0.000 0.974 490 S CA 2.478 60.691 58.200 0.020 0.000 0.942 490 S CB -0.665 62.544 63.200 0.014 0.000 0.766 490 S HN 0.567 8.892 8.310 0.025 0.000 0.536 491 D N -0.966 119.447 120.400 0.021 0.000 2.340 491 D HA -0.054 nan 4.640 nan 0.000 0.220 491 D C 1.040 177.352 176.300 0.021 0.000 1.039 491 D CA -0.757 53.254 54.000 0.019 0.000 0.866 491 D CB -1.268 39.544 40.800 0.020 0.000 0.913 491 D HN -0.661 7.664 8.370 0.024 0.060 0.523 492 G N -0.729 108.086 108.800 0.025 0.000 2.198 492 G HA2 -0.444 nan 3.960 nan 0.000 0.260 492 G HA3 -0.444 nan 3.960 nan 0.000 0.260 492 G C -0.658 174.254 174.900 0.021 0.000 1.025 492 G CA 0.678 45.793 45.100 0.025 0.000 0.769 492 G HN 0.174 8.308 8.290 0.027 0.172 0.507 493 K N -3.275 117.140 120.400 0.025 0.000 2.868 493 K HA 0.202 nan 4.320 nan 0.000 0.197 493 K C -0.980 175.644 176.600 0.041 0.000 1.543 493 K CA 1.252 57.556 56.287 0.027 0.000 1.212 493 K CB 2.234 34.748 32.500 0.024 0.000 1.840 493 K HN -0.180 8.283 8.250 0.028 -0.196 0.571 494 T N 4.497 119.079 114.554 0.045 0.000 2.884 494 T HA 0.224 nan 4.350 nan 0.000 0.298 494 T C -0.403 174.334 174.700 0.061 0.000 0.998 494 T CA 1.120 63.259 62.100 0.064 0.000 1.124 494 T CB 0.117 69.019 68.868 0.057 0.000 0.931 494 T HN -0.307 8.412 8.240 0.038 -0.456 0.531 495 L N 4.584 125.858 121.223 0.085 0.000 2.426 495 L HA 0.145 nan 4.340 nan 0.000 0.271 495 L C -0.272 176.620 176.870 0.037 0.000 1.169 495 L CA 0.113 54.990 54.840 0.062 0.000 0.836 495 L CB 0.145 42.263 42.059 0.099 0.000 1.112 495 L HN -0.135 8.169 8.230 0.125 0.000 0.465 496 I N 1.564 122.144 120.570 0.017 0.000 2.634 496 I HA -0.298 nan 4.170 nan 0.000 0.284 496 I C -0.937 175.157 176.117 -0.039 0.000 1.124 496 I CA 1.676 62.977 61.300 0.001 0.000 1.417 496 I CB 0.309 38.323 38.000 0.024 0.000 1.396 496 I HN -0.391 7.828 8.210 0.016 0.000 0.571 497 A N 5.830 128.594 122.820 -0.094 0.000 2.435 497 A HA -0.273 nan 4.320 nan 0.000 0.686 497 A C -2.015 175.522 177.584 -0.078 0.000 0.138 497 A CA 0.440 52.389 52.037 -0.147 0.000 0.024 497 A CB -0.324 18.578 19.000 -0.165 0.000 3.974 497 A HN 0.391 8.488 8.150 -0.088 0.000 0.548 498 Q N 0.834 120.469 119.800 -0.275 0.000 2.482 498 Q HA 0.395 nan 4.340 nan 0.000 0.286 498 Q C -2.416 172.959 176.000 -1.041 0.000 1.007 498 Q CA -2.563 52.827 55.803 -0.688 0.000 0.801 498 Q CB 2.924 31.351 28.738 -0.518 0.000 1.455 498 Q HN -0.192 7.920 8.270 -0.263 0.000 0.398 499 P HA 0.214 nan 4.420 nan 0.000 0.258 499 P C -1.998 175.122 177.300 -0.301 0.000 1.416 499 P CA 0.279 62.635 63.100 -1.239 0.000 0.927 499 P CB 0.265 30.846 31.700 -1.864 0.000 1.444 500 H N -4.868 114.088 119.070 -0.191 0.000 3.014 500 H HA 0.055 nan 4.556 nan 0.000 0.337 500 H C -1.911 173.407 175.328 -0.016 0.000 1.320 500 H CA -1.553 54.487 56.048 -0.014 0.000 1.128 500 H CB 1.246 31.023 29.762 0.025 0.000 1.862 500 H HN -0.620 7.238 8.280 -0.551 0.091 0.536 501 V N 0.110 120.165 119.914 0.234 0.000 3.271 501 V HA 0.149 nan 4.120 nan 0.000 0.327 501 V C -0.945 175.239 176.094 0.150 0.000 1.389 501 V CA -0.909 61.478 62.300 0.144 0.000 1.156 501 V CB 0.027 31.916 31.823 0.111 0.000 1.103 501 V HN 0.494 8.827 8.190 0.238 0.000 0.453 502 R N 0.706 121.359 120.500 0.256 0.000 2.532 502 R HA 0.209 nan 4.340 nan 0.000 0.272 502 R C 1.164 177.548 176.300 0.140 0.000 1.032 502 R CA -0.574 55.586 56.100 0.101 0.000 1.089 502 R CB 1.104 31.357 30.300 -0.078 0.000 1.098 502 R HN -0.774 7.754 8.270 0.547 0.070 0.526 503 G N 0.505 109.345 108.800 0.066 0.000 3.327 503 G HA2 -0.063 nan 3.960 nan 0.000 0.240 503 G HA3 -0.063 nan 3.960 nan 0.000 0.240 503 G C -1.339 173.604 174.900 0.072 0.000 1.222 503 G CA -0.314 44.828 45.100 0.071 0.000 0.871 503 G HN 0.338 8.646 8.290 0.031 0.000 0.525 504 D N -0.043 120.403 120.400 0.077 0.000 2.732 504 D HA 0.069 nan 4.640 nan 0.000 0.229 504 D C -1.096 175.260 176.300 0.093 0.000 1.152 504 D CA -0.834 53.195 54.000 0.048 0.000 0.854 504 D CB 2.242 43.037 40.800 -0.009 0.000 1.590 504 D HN -0.848 7.495 8.370 0.098 0.086 0.468 505 K N -0.851 119.599 120.400 0.083 0.000 3.619 505 K HA -0.323 nan 4.320 nan 0.000 0.275 505 K C -1.681 175.069 176.600 0.250 0.000 0.993 505 K CA 0.638 56.980 56.287 0.092 0.000 0.787 505 K CB -2.156 30.365 32.500 0.035 0.000 1.431 505 K HN 0.443 8.724 8.250 0.052 0.000 0.451 506 L N -1.753 119.578 121.223 0.179 0.000 2.350 506 L HA 0.190 nan 4.340 nan 0.000 0.275 506 L C 0.032 177.011 176.870 0.181 0.000 1.099 506 L CA -1.624 53.328 54.840 0.186 0.000 0.808 506 L CB 0.752 42.881 42.059 0.118 0.000 1.149 506 L HN -0.336 7.961 8.230 0.112 0.000 0.442 507 W N 2.661 123.943 121.300 -0.030 0.000 2.150 507 W HA 0.009 nan 4.660 nan 0.000 0.341 507 W C -0.312 176.230 176.519 0.038 0.000 1.276 507 W CA 0.602 57.967 57.345 0.033 0.000 1.238 507 W CB 0.729 30.247 29.460 0.096 0.000 1.128 507 W HN 0.512 9.398 8.180 0.507 -0.402 0.581 508 T N -3.059 111.646 114.554 0.252 0.000 2.888 508 T HA 0.586 nan 4.350 nan 0.000 0.288 508 T C 0.116 174.899 174.700 0.140 0.000 1.063 508 T CA -1.998 60.187 62.100 0.142 0.000 1.010 508 T CB 3.150 72.059 68.868 0.068 0.000 1.214 508 T HN -0.157 8.398 8.240 0.264 -0.156 0.533 509 L N 1.134 122.403 121.223 0.077 0.000 2.042 509 L HA -0.290 nan 4.340 nan 0.000 0.210 509 L C 0.829 177.726 176.870 0.045 0.000 1.076 509 L CA 3.516 58.384 54.840 0.047 0.000 0.749 509 L CB -0.038 42.029 42.059 0.014 0.000 0.893 509 L HN 0.639 8.905 8.230 0.060 0.000 0.432 510 D N -2.270 118.152 120.400 0.037 0.000 2.178 510 D HA -0.348 nan 4.640 nan 0.000 0.201 510 D C 2.115 178.435 176.300 0.034 0.000 0.980 510 D CA 4.457 58.471 54.000 0.022 0.000 0.842 510 D CB -0.767 40.037 40.800 0.008 0.000 0.948 510 D HN 0.304 8.695 8.370 0.035 0.000 0.472 511 D N -1.400 119.039 120.400 0.066 0.000 2.183 511 D HA -0.140 nan 4.640 nan 0.000 0.203 511 D C 1.841 178.252 176.300 0.185 0.000 0.969 511 D CA 2.985 57.032 54.000 0.078 0.000 0.842 511 D CB -0.073 40.748 40.800 0.034 0.000 0.957 511 D HN -0.655 7.641 8.370 0.083 0.124 0.484 512 I N -0.292 120.391 120.570 0.188 0.000 2.333 512 I HA -0.289 nan 4.170 nan 0.000 0.246 512 I C 2.120 178.248 176.117 0.018 0.000 1.106 512 I CA 1.086 62.446 61.300 0.101 0.000 1.411 512 I CB -0.652 37.350 38.000 0.004 0.000 1.082 512 I HN -0.532 7.678 8.210 0.175 0.105 0.420 513 K N 0.470 120.875 120.400 0.008 0.000 2.152 513 K HA -0.343 nan 4.320 nan 0.000 0.206 513 K C 2.803 179.396 176.600 -0.011 0.000 1.048 513 K CA 3.353 59.631 56.287 -0.015 0.000 0.933 513 K CB -0.258 32.234 32.500 -0.012 0.000 0.721 513 K HN 0.159 8.358 8.250 0.023 0.064 0.447 514 R N -1.294 119.211 120.500 0.008 0.000 2.105 514 R HA -0.255 nan 4.340 nan 0.000 0.239 514 R C 1.918 178.223 176.300 0.008 0.000 1.135 514 R CA 2.652 58.757 56.100 0.008 0.000 0.967 514 R CB -0.242 30.068 30.300 0.016 0.000 0.861 514 R HN -0.429 7.838 8.270 0.021 0.015 0.442 515 L N -4.521 116.710 121.223 0.013 0.000 2.191 515 L HA -0.194 nan 4.340 nan 0.000 0.212 515 L C 0.507 177.352 176.870 -0.042 0.000 1.103 515 L CA 0.638 55.475 54.840 -0.005 0.000 0.769 515 L CB -0.082 41.959 42.059 -0.029 0.000 0.908 515 L HN -0.523 7.601 8.230 0.028 0.123 0.438 516 N N -2.982 115.685 118.700 -0.055 0.000 2.740 516 N HA -0.335 nan 4.740 nan 0.000 0.248 516 N C -1.169 174.280 175.510 -0.101 0.000 1.062 516 N CA 0.762 53.773 53.050 -0.066 0.000 0.704 516 N CB -0.411 38.050 38.487 -0.044 0.000 0.968 516 N HN -0.467 7.739 8.380 -0.045 0.147 0.547 517 C N 0.320 119.528 119.300 -0.152 0.000 2.349 517 C HA 0.114 nan 4.460 nan 0.000 0.348 517 C C -1.345 173.476 174.990 -0.283 0.000 1.223 517 C CA -0.094 58.785 59.018 -0.231 0.000 1.746 517 C CB -0.381 27.178 27.740 -0.301 0.000 2.360 517 C HN 0.149 8.289 8.230 -0.150 0.000 0.533 518 V N 8.950 128.730 119.914 -0.223 0.000 2.384 518 V HA 0.509 nan 4.120 nan 0.000 0.287 518 V C -0.834 175.183 176.094 -0.128 0.000 1.020 518 V CA -1.361 60.850 62.300 -0.149 0.000 0.850 518 V CB 1.392 33.182 31.823 -0.055 0.000 0.987 518 V HN 0.372 8.451 8.190 -0.185 0.000 0.436 519 F N 7.325 127.289 119.950 0.022 0.000 2.563 519 F HA -0.113 nan 4.527 nan 0.000 0.363 519 F C -0.899 174.937 175.800 0.061 0.000 1.123 519 F CA 1.523 59.578 58.000 0.092 0.000 1.307 519 F CB 0.655 39.774 39.000 0.199 0.000 1.115 519 F HN 0.446 8.825 8.300 0.131 0.000 0.592 520 K N 2.435 122.972 120.400 0.229 0.000 2.426 520 K HA 0.205 nan 4.320 nan 0.000 0.251 520 K C -1.315 175.301 176.600 0.026 0.000 0.941 520 K CA -2.303 54.030 56.287 0.078 0.000 0.808 520 K CB 2.530 35.009 32.500 -0.035 0.000 1.265 520 K HN -0.164 8.240 8.250 0.256 0.000 0.432 521 N N 3.105 121.813 118.700 0.013 0.000 2.430 521 N HA 0.259 nan 4.740 nan 0.000 0.265 521 N C -0.033 175.396 175.510 -0.136 0.000 1.100 521 N CA -2.897 50.141 53.050 -0.021 0.000 0.961 521 N CB 0.369 38.877 38.487 0.036 0.000 1.075 521 N HN -0.123 8.519 8.380 0.025 -0.246 0.478 522 P HA -0.147 nan 4.420 nan 0.000 0.225 522 P C 0.761 178.064 177.300 0.005 0.000 1.148 522 P CA 1.638 64.578 63.100 -0.268 0.000 0.779 522 P CB 0.152 31.505 31.700 -0.579 0.000 0.780 523 V N -0.495 119.489 119.914 0.117 0.000 3.306 523 V HA -0.129 nan 4.120 nan 0.000 0.264 523 V C 1.178 177.378 176.094 0.176 0.000 1.149 523 V CA 1.754 64.218 62.300 0.272 0.000 1.143 523 V CB -0.426 31.498 31.823 0.168 0.000 0.767 523 V HN -0.324 8.117 8.190 0.053 -0.219 0.476 524 K N 0.463 120.892 120.400 0.049 0.000 2.504 524 K HA -0.175 nan 4.320 nan 0.000 0.195 524 K C 0.566 177.157 176.600 -0.016 0.000 1.036 524 K CA 2.026 58.326 56.287 0.022 0.000 0.984 524 K CB -0.635 31.863 32.500 -0.004 0.000 0.788 524 K HN -0.303 7.911 8.250 0.011 0.042 0.488 525 A N -2.023 120.743 122.820 -0.091 0.000 2.218 525 A HA 0.028 nan 4.320 nan 0.000 0.209 525 A C -0.478 176.977 177.584 -0.214 0.000 1.168 525 A CA 0.691 52.613 52.037 -0.191 0.000 0.804 525 A CB 0.436 19.248 19.000 -0.314 0.000 0.834 525 A HN -0.529 7.493 8.150 -0.092 0.073 0.482 526 F N 0.000 119.945 119.950 -0.008 0.000 2.286 526 F HA 0.000 nan 4.527 nan 0.000 0.279 526 F CA 0.000 57.995 58.000 -0.009 0.000 1.383 526 F CB 0.000 38.990 39.000 -0.016 0.000 1.145 526 F HN 0.000 8.316 8.300 0.145 0.071 0.574