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 1t10_1_A DATA FIRST_RESID 49 DATA SEQUENCE SLLNLPAWKR LQSLYEKYGN DSILSHFEKD HQRFQRYSIE IDLHSDDNFL DATA SEQUENCE FLDYSKSHIN DEIKDALVAL AEERGVRAFA KAMFDGQRVN STENRAVLHV DATA SEQUENCE ALRNRSNRPI IVDGKDVMSD VNNVLAQMKD FTERVRSGEW KGQTGKSIYN DATA SEQUENCE IVNIGIGGSD LGPVMVTEAL KPFSKRDLHC FFVSNVDGTH MAEVLKQVNL DATA SEQUENCE EETIFIIASK TFTTQETLTN AMSARNALMS YLKENGISTD GAVAKHFVAL DATA SEQUENCE STNTEKVREF GIDTVNMFAF WDWVGGRYSV WSAIGLSVML SIGYDNFVEF DATA SEQUENCE LTGAHVMDNH FASTPTEQNL PMMLALVGIW YNNFFGSETQ AVLPYDQYLW DATA SEQUENCE RLPAYLQQLD MESNGKGVTK KSGAVAVQTG PIVFGEAGTN GQHAFYQLIH DATA SEQUENCE QGTKIIPCDF IGCVQTQNRV GDHHRTLMSN FFAQTEALMV GKNAEEVRQE DATA SEQUENCE LVKSGMSGDA IENMIPHKTF TGSRPSNSIL VNALTPRALG AIIAMYEHKV DATA SEQUENCE LVQGAIWGIN SYDQWGVELG KVLAKSILPQ LKSGNIVSDH DGSTNGLINM DATA SEQUENCE FNTRAH 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.553 174.600 -0.078 0.000 1.055 49 S CA 0.000 58.168 58.200 -0.054 0.000 1.107 49 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 50 L N 2.648 123.784 121.223 -0.145 0.000 2.131 50 L HA 0.158 4.498 4.340 0.000 0.000 0.210 50 L C 2.145 178.841 176.870 -0.290 0.000 1.092 50 L CA 1.606 56.303 54.840 -0.239 0.000 0.759 50 L CB -1.009 40.835 42.059 -0.359 0.000 0.903 50 L HN 0.611 nan 8.230 nan 0.000 0.435 51 L N -0.288 120.780 121.223 -0.258 0.000 2.131 51 L HA -0.211 4.129 4.340 0.000 0.000 0.210 51 L C 0.895 177.788 176.870 0.039 0.000 1.092 51 L CA 1.112 55.874 54.840 -0.129 0.000 0.759 51 L CB -0.228 41.771 42.059 -0.101 0.000 0.903 51 L HN 0.342 nan 8.230 nan 0.000 0.435 52 N N -0.436 118.274 118.700 0.016 0.000 2.378 52 N HA 0.214 4.954 4.740 0.000 0.000 0.243 52 N C -0.550 175.002 175.510 0.069 0.000 1.137 52 N CA 0.013 53.095 53.050 0.053 0.000 0.862 52 N CB 0.284 38.789 38.487 0.029 0.000 1.116 52 N HN 0.115 nan 8.380 nan 0.000 0.499 53 L N 0.560 121.844 121.223 0.101 0.000 2.289 53 L HA 0.348 4.688 4.340 0.000 0.000 0.285 53 L C -1.249 175.722 176.870 0.168 0.000 1.049 53 L CA -1.984 52.928 54.840 0.121 0.000 0.804 53 L CB 1.799 43.934 42.059 0.127 0.000 1.195 53 L HN 0.026 nan 8.230 nan 0.000 0.428 54 P HA -0.241 nan 4.420 nan 0.000 0.214 54 P C 1.355 178.746 177.300 0.151 0.000 1.169 54 P CA 1.709 64.881 63.100 0.119 0.000 0.908 54 P CB 0.182 31.930 31.700 0.081 0.000 0.791 55 A N -1.869 121.044 122.820 0.154 0.000 1.971 55 A HA -0.235 4.085 4.320 0.000 0.000 0.222 55 A C 2.238 179.972 177.584 0.251 0.000 1.182 55 A CA 2.004 54.142 52.037 0.168 0.000 0.649 55 A CB -1.911 17.186 19.000 0.162 0.000 0.818 55 A HN 0.258 nan 8.150 nan 0.000 0.458 56 W N 0.111 121.500 121.300 0.149 0.000 2.441 56 W HA -0.001 4.659 4.660 0.000 0.000 0.302 56 W C 2.318 178.975 176.519 0.229 0.000 1.191 56 W CA 1.645 59.140 57.345 0.250 0.000 1.327 56 W CB -0.076 29.532 29.460 0.248 0.000 1.128 56 W HN 0.230 nan 8.180 nan 0.000 0.522 57 K N -0.114 120.510 120.400 0.374 0.000 2.074 57 K HA -0.274 4.046 4.320 0.000 0.000 0.209 57 K C 2.088 178.762 176.600 0.122 0.000 1.048 57 K CA 1.855 58.279 56.287 0.229 0.000 0.926 57 K CB -0.424 32.185 32.500 0.183 0.000 0.713 57 K HN 0.111 nan 8.250 nan 0.000 0.444 58 R N 1.167 121.725 120.500 0.098 0.000 2.091 58 R HA -0.126 4.214 4.340 0.000 0.000 0.238 58 R C 2.283 178.576 176.300 -0.012 0.000 1.136 58 R CA 1.205 57.330 56.100 0.042 0.000 0.959 58 R CB -0.213 30.111 30.300 0.041 0.000 0.856 58 R HN 0.106 nan 8.270 nan 0.000 0.437 59 L N 0.566 121.737 121.223 -0.087 0.000 2.056 59 L HA -0.204 4.136 4.340 0.000 0.000 0.207 59 L C 2.780 179.500 176.870 -0.250 0.000 1.078 59 L CA 1.159 55.827 54.840 -0.286 0.000 0.749 59 L CB -0.496 41.134 42.059 -0.715 0.000 0.901 59 L HN 0.258 nan 8.230 nan 0.000 0.433 60 Q N -0.517 119.204 119.800 -0.131 0.000 2.062 60 Q HA -0.288 4.052 4.340 0.000 0.000 0.209 60 Q C 2.493 178.536 176.000 0.072 0.000 0.996 60 Q CA 2.259 58.093 55.803 0.051 0.000 0.859 60 Q CB -0.699 28.107 28.738 0.115 0.000 0.920 60 Q HN 0.482 nan 8.270 nan 0.000 0.415 61 S N -0.030 115.692 115.700 0.038 0.000 2.382 61 S HA -0.127 4.343 4.470 0.000 0.000 0.228 61 S C 1.913 176.506 174.600 -0.010 0.000 1.027 61 S CA 0.784 58.990 58.200 0.010 0.000 0.991 61 S CB 0.025 63.228 63.200 0.004 0.000 0.823 61 S HN 0.202 nan 8.310 nan 0.000 0.469 62 L N 0.402 121.652 121.223 0.046 0.000 2.217 62 L HA 0.126 4.466 4.340 0.000 0.000 0.211 62 L C 2.134 179.162 176.870 0.263 0.000 1.107 62 L CA 1.294 56.204 54.840 0.117 0.000 0.783 62 L CB -1.052 41.109 42.059 0.171 0.000 0.919 62 L HN 0.497 nan 8.230 nan 0.000 0.442 63 Y N 0.640 121.032 120.300 0.153 0.000 2.200 63 Y HA -0.232 4.318 4.550 0.000 0.000 0.290 63 Y C 2.495 178.335 175.900 -0.101 0.000 1.137 63 Y CA 1.696 59.786 58.100 -0.017 0.000 1.163 63 Y CB -0.072 38.174 38.460 -0.356 0.000 0.988 63 Y HN 0.171 nan 8.280 nan 0.000 0.518 64 E N 0.420 120.479 120.200 -0.235 0.000 2.110 64 E HA -0.183 4.167 4.350 0.000 0.000 0.193 64 E C 2.219 178.656 176.600 -0.271 0.000 0.988 64 E CA 1.630 57.846 56.400 -0.308 0.000 0.804 64 E CB -0.175 29.443 29.700 -0.136 0.000 0.745 64 E HN 0.504 nan 8.360 nan 0.000 0.458 65 K N -1.317 118.939 120.400 -0.239 0.000 2.044 65 K HA -0.081 4.239 4.320 0.000 0.000 0.204 65 K C 1.039 177.458 176.600 -0.301 0.000 1.049 65 K CA 1.085 57.157 56.287 -0.358 0.000 0.945 65 K CB 0.032 32.171 32.500 -0.601 0.000 0.724 65 K HN 0.144 nan 8.250 nan 0.000 0.440 66 Y N -0.619 119.699 120.300 0.029 0.000 2.430 66 Y HA 0.299 4.849 4.550 0.000 0.000 0.248 66 Y C 1.947 177.939 175.900 0.153 0.000 1.108 66 Y CA -0.044 58.125 58.100 0.115 0.000 1.264 66 Y CB -0.134 38.437 38.460 0.185 0.000 1.172 66 Y HN 0.176 nan 8.280 nan 0.000 0.520 67 G N 0.996 109.873 108.800 0.128 0.000 2.596 67 G HA2 -0.377 3.584 3.960 0.000 0.000 0.223 67 G HA3 -0.377 3.584 3.960 0.000 0.000 0.223 67 G C 1.210 176.123 174.900 0.022 0.000 1.120 67 G CA 1.806 46.860 45.100 -0.076 0.000 0.752 67 G HN 0.484 nan 8.290 nan 0.000 0.596 68 N N 0.512 119.225 118.700 0.021 0.000 2.412 68 N HA 0.103 4.843 4.740 0.000 0.000 0.184 68 N C -0.426 175.217 175.510 0.222 0.000 1.101 68 N CA 0.035 53.137 53.050 0.088 0.000 0.881 68 N CB 0.294 38.794 38.487 0.022 0.000 0.969 68 N HN 0.131 nan 8.380 nan 0.000 0.459 69 D N 1.119 121.703 120.400 0.308 0.000 2.401 69 D HA -0.011 4.629 4.640 0.000 0.000 0.254 69 D C 0.294 176.852 176.300 0.429 0.000 1.192 69 D CA 0.171 54.388 54.000 0.362 0.000 0.885 69 D CB 0.689 41.754 40.800 0.442 0.000 1.147 69 D HN 0.185 nan 8.370 nan 0.000 0.478 70 S N 2.166 118.057 115.700 0.319 0.000 2.568 70 S HA 0.060 4.530 4.470 0.000 0.000 0.282 70 S C 1.698 176.406 174.600 0.181 0.000 1.338 70 S CA -0.618 57.737 58.200 0.259 0.000 1.045 70 S CB 0.573 63.884 63.200 0.185 0.000 0.873 70 S HN 0.432 nan 8.310 nan 0.000 0.516 71 I N 1.390 121.952 120.570 -0.013 0.000 2.264 71 I HA -0.146 4.024 4.170 0.000 0.000 0.248 71 I C 2.239 178.437 176.117 0.135 0.000 1.111 71 I CA 0.946 62.172 61.300 -0.124 0.000 1.382 71 I CB -0.443 37.439 38.000 -0.197 0.000 1.060 71 I HN 0.565 nan 8.210 nan 0.000 0.418 72 L N 0.935 122.242 121.223 0.139 0.000 2.275 72 L HA -0.150 4.190 4.340 0.000 0.000 0.215 72 L C 2.749 179.758 176.870 0.230 0.000 1.119 72 L CA 1.926 56.865 54.840 0.166 0.000 0.790 72 L CB -0.842 41.253 42.059 0.060 0.000 0.919 72 L HN 0.332 nan 8.230 nan 0.000 0.443 73 S N -1.942 113.906 115.700 0.246 0.000 2.402 73 S HA -0.208 4.262 4.470 0.000 0.000 0.229 73 S C 1.861 176.567 174.600 0.177 0.000 1.021 73 S CA 1.102 59.423 58.200 0.203 0.000 0.974 73 S CB -0.635 62.677 63.200 0.187 0.000 0.800 73 S HN 0.576 nan 8.310 nan 0.000 0.484 74 H N 0.060 119.136 119.070 0.009 0.000 2.502 74 H HA 0.293 4.849 4.556 0.000 0.000 0.283 74 H C 1.317 176.509 175.328 -0.227 0.000 1.015 74 H CA 0.837 56.797 56.048 -0.148 0.000 1.298 74 H CB -0.541 29.059 29.762 -0.269 0.000 1.411 74 H HN 0.494 nan 8.280 nan 0.000 0.556 75 F N 0.796 120.756 119.950 0.018 0.000 2.234 75 F HA -0.025 4.502 4.527 0.000 0.000 0.296 75 F C 2.220 178.018 175.800 -0.003 0.000 1.089 75 F CA 0.915 58.904 58.000 -0.019 0.000 1.343 75 F CB -0.061 38.922 39.000 -0.027 0.000 1.040 75 F HN 0.132 nan 8.300 nan 0.000 0.498 76 E N 0.229 120.533 120.200 0.175 0.000 2.153 76 E HA -0.193 4.157 4.350 0.000 0.000 0.194 76 E C 2.003 178.635 176.600 0.053 0.000 0.988 76 E CA 1.147 57.606 56.400 0.098 0.000 0.811 76 E CB -0.055 29.690 29.700 0.075 0.000 0.746 76 E HN 0.395 nan 8.360 nan 0.000 0.466 77 K N 0.653 121.059 120.400 0.011 0.000 1.973 77 K HA -0.076 4.244 4.320 0.000 0.000 0.210 77 K C 0.873 177.472 176.600 -0.003 0.000 1.045 77 K CA 1.216 57.489 56.287 -0.024 0.000 0.937 77 K CB -0.023 32.420 32.500 -0.096 0.000 0.721 77 K HN 0.175 nan 8.250 nan 0.000 0.438 78 D N 0.082 120.460 120.400 -0.037 0.000 2.505 78 D HA 0.003 4.643 4.640 0.000 0.000 0.249 78 D C 0.419 176.707 176.300 -0.019 0.000 1.082 78 D CA -0.455 53.533 54.000 -0.020 0.000 0.839 78 D CB 1.142 41.891 40.800 -0.084 0.000 1.317 78 D HN 0.310 nan 8.370 nan 0.000 0.497 79 H N 1.584 120.654 119.070 -0.001 0.000 2.551 79 H HA 0.053 4.609 4.556 0.000 0.000 0.266 79 H C -0.004 175.355 175.328 0.051 0.000 0.977 79 H CA 0.181 56.251 56.048 0.036 0.000 1.163 79 H CB 0.402 30.182 29.762 0.031 0.000 1.381 79 H HN 0.338 nan 8.280 nan 0.000 0.581 80 Q N 1.135 120.646 119.800 -0.480 0.000 2.204 80 Q HA 0.126 4.466 4.340 0.000 0.000 0.209 80 Q C 1.839 177.776 176.000 -0.106 0.000 0.861 80 Q CA -0.200 55.443 55.803 -0.266 0.000 0.971 80 Q CB 0.470 29.005 28.738 -0.339 0.000 1.095 80 Q HN 0.524 nan 8.270 nan 0.000 0.486 81 R N -0.044 120.372 120.500 -0.139 0.000 2.091 81 R HA -0.180 4.160 4.340 0.000 0.000 0.238 81 R C 1.844 178.069 176.300 -0.125 0.000 1.136 81 R CA 1.279 57.203 56.100 -0.293 0.000 0.959 81 R CB -0.189 29.637 30.300 -0.790 0.000 0.856 81 R HN 0.189 nan 8.270 nan 0.000 0.437 82 F N 1.867 121.767 119.950 -0.084 0.000 2.091 82 F HA -0.261 4.266 4.527 0.000 0.000 0.299 82 F C 2.044 177.876 175.800 0.053 0.000 1.103 82 F CA 1.970 60.001 58.000 0.052 0.000 1.228 82 F CB -0.475 38.609 39.000 0.140 0.000 0.984 82 F HN 0.055 nan 8.300 nan 0.000 0.477 83 Q N 0.183 119.907 119.800 -0.127 0.000 2.079 83 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 83 Q C 2.320 178.240 176.000 -0.134 0.000 0.974 83 Q CA 1.915 57.597 55.803 -0.202 0.000 0.840 83 Q CB -0.306 28.386 28.738 -0.076 0.000 0.898 83 Q HN 0.395 nan 8.270 nan 0.000 0.430 84 R N -1.343 119.125 120.500 -0.052 0.000 2.236 84 R HA 0.011 4.351 4.340 0.000 0.000 0.208 84 R C 0.245 176.498 176.300 -0.078 0.000 1.036 84 R CA 0.624 56.717 56.100 -0.012 0.000 1.001 84 R CB 0.309 30.654 30.300 0.076 0.000 0.896 84 R HN 0.280 nan 8.270 nan 0.000 0.464 85 Y N 0.150 120.211 120.300 -0.400 0.000 2.617 85 Y HA 0.212 4.762 4.550 0.000 0.000 0.328 85 Y C -0.345 175.022 175.900 -0.889 0.000 0.946 85 Y CA -0.756 56.836 58.100 -0.847 0.000 1.241 85 Y CB 0.944 38.888 38.460 -0.859 0.000 1.226 85 Y HN -0.082 nan 8.280 nan 0.000 0.582 86 S N -0.379 115.126 115.700 -0.324 0.000 2.537 86 S HA 0.765 5.235 4.470 0.000 0.000 0.271 86 S C -1.225 173.307 174.600 -0.113 0.000 1.148 86 S CA -0.736 57.299 58.200 -0.275 0.000 0.868 86 S CB 1.820 64.757 63.200 -0.438 0.000 1.115 86 S HN 0.204 nan 8.310 nan 0.000 0.461 87 I N 1.196 121.678 120.570 -0.148 0.000 2.582 87 I HA 0.528 4.698 4.170 0.000 0.000 0.292 87 I C -0.642 175.529 176.117 0.088 0.000 1.066 87 I CA -0.414 60.893 61.300 0.012 0.000 1.053 87 I CB 2.273 40.307 38.000 0.057 0.000 1.241 87 I HN 0.873 nan 8.210 nan 0.000 0.421 88 E N 6.774 127.121 120.200 0.245 0.000 2.187 88 E HA 0.615 4.965 4.350 0.000 0.000 0.268 88 E C -1.548 175.180 176.600 0.214 0.000 0.896 88 E CA -0.556 56.050 56.400 0.343 0.000 0.766 88 E CB 1.702 31.572 29.700 0.282 0.000 1.142 88 E HN 0.485 nan 8.360 nan 0.000 0.408 89 I N 3.208 123.905 120.570 0.213 0.000 2.404 89 I HA 0.223 4.393 4.170 0.000 0.000 0.293 89 I C -0.332 175.858 176.117 0.121 0.000 0.992 89 I CA -0.984 60.405 61.300 0.148 0.000 1.149 89 I CB 1.621 39.662 38.000 0.068 0.000 1.315 89 I HN 0.551 nan 8.210 nan 0.000 0.446 90 D N 5.593 125.994 120.400 0.003 0.000 2.277 90 D HA 0.168 4.808 4.640 0.000 0.000 0.249 90 D C 0.229 176.370 176.300 -0.265 0.000 1.134 90 D CA -0.218 53.738 54.000 -0.074 0.000 0.863 90 D CB 1.634 42.375 40.800 -0.099 0.000 1.143 90 D HN 0.235 nan 8.370 nan 0.000 0.458 91 L N 3.332 124.500 121.223 -0.091 0.000 2.592 91 L HA 0.152 4.492 4.340 0.000 0.000 0.227 91 L C 0.551 177.435 176.870 0.023 0.000 1.127 91 L CA 0.308 55.109 54.840 -0.065 0.000 0.884 91 L CB -1.466 40.600 42.059 0.012 0.000 1.065 91 L HN 0.682 nan 8.230 nan 0.000 0.457 92 H N -1.702 117.418 119.070 0.084 0.000 2.936 92 H HA -0.150 4.406 4.556 0.000 0.000 0.276 92 H C 0.261 175.624 175.328 0.059 0.000 1.216 92 H CA 0.570 56.658 56.048 0.067 0.000 1.132 92 H CB -1.121 28.678 29.762 0.061 0.000 1.303 92 H HN 0.280 nan 8.280 nan 0.000 0.370 93 S N 0.047 115.844 115.700 0.161 0.000 2.563 93 S HA 0.374 4.844 4.470 0.000 0.000 0.279 93 S C -0.648 174.007 174.600 0.092 0.000 1.155 93 S CA -0.043 58.224 58.200 0.111 0.000 0.928 93 S CB 1.678 64.931 63.200 0.088 0.000 1.107 93 S HN 0.337 nan 8.310 nan 0.000 0.462 94 D N 2.722 123.173 120.400 0.085 0.000 2.870 94 D HA -0.109 4.531 4.640 0.000 0.000 0.228 94 D C 0.030 176.384 176.300 0.090 0.000 1.147 94 D CA 1.901 55.947 54.000 0.077 0.000 0.757 94 D CB -1.238 39.601 40.800 0.065 0.000 1.091 94 D HN 0.806 nan 8.370 nan 0.000 0.429 95 D N -1.532 118.933 120.400 0.108 0.000 3.070 95 D HA -0.263 4.377 4.640 0.000 0.000 0.220 95 D C 0.214 176.633 176.300 0.199 0.000 1.176 95 D CA 1.289 55.374 54.000 0.142 0.000 0.924 95 D CB -1.845 39.031 40.800 0.126 0.000 1.124 95 D HN 0.718 nan 8.370 nan 0.000 0.411 96 N N -0.358 118.426 118.700 0.141 0.000 2.530 96 N HA 0.443 5.183 4.740 0.000 0.000 0.277 96 N C -0.211 175.407 175.510 0.180 0.000 1.168 96 N CA -0.427 52.674 53.050 0.086 0.000 0.979 96 N CB 0.554 39.045 38.487 0.006 0.000 1.141 96 N HN 0.101 nan 8.380 nan 0.000 0.459 97 F N 0.785 120.763 119.950 0.046 0.000 2.662 97 F HA 0.551 5.078 4.527 0.000 0.000 0.312 97 F C -1.936 173.914 175.800 0.083 0.000 1.113 97 F CA -1.152 56.879 58.000 0.052 0.000 0.951 97 F CB 1.066 40.100 39.000 0.057 0.000 1.344 97 F HN 0.186 nan 8.300 nan 0.000 0.462 98 L N 3.151 124.525 121.223 0.251 0.000 2.356 98 L HA 0.663 5.003 4.340 0.000 0.000 0.277 98 L C -1.982 175.145 176.870 0.428 0.000 0.996 98 L CA -0.803 54.160 54.840 0.206 0.000 0.822 98 L CB 1.679 43.780 42.059 0.070 0.000 1.256 98 L HN 0.805 nan 8.230 nan 0.000 0.413 99 F N 6.171 126.304 119.950 0.306 0.000 2.518 99 F HA 0.568 5.095 4.527 0.000 0.000 0.323 99 F C -1.613 174.322 175.800 0.226 0.000 1.129 99 F CA -0.837 57.341 58.000 0.297 0.000 0.920 99 F CB 1.771 41.041 39.000 0.450 0.000 1.160 99 F HN 0.335 nan 8.300 nan 0.000 0.440 100 L N 6.194 127.189 121.223 -0.380 0.000 2.296 100 L HA 0.499 4.840 4.340 0.000 0.000 0.286 100 L C -1.375 175.112 176.870 -0.637 0.000 1.023 100 L CA -0.121 54.525 54.840 -0.322 0.000 0.812 100 L CB 1.217 43.212 42.059 -0.107 0.000 1.223 100 L HN 0.645 nan 8.230 nan 0.000 0.421 101 D N 3.283 123.470 120.400 -0.354 0.000 2.460 101 D HA 0.184 4.824 4.640 0.000 0.000 0.232 101 D C -0.384 175.982 176.300 0.110 0.000 1.079 101 D CA -0.280 53.628 54.000 -0.154 0.000 0.864 101 D CB 0.507 41.414 40.800 0.178 0.000 1.048 101 D HN 0.515 nan 8.370 nan 0.000 0.523 102 Y N 1.901 122.219 120.300 0.030 0.000 2.625 102 Y HA 0.228 4.778 4.550 0.000 0.000 0.285 102 Y C 1.595 177.607 175.900 0.187 0.000 1.168 102 Y CA -0.098 58.067 58.100 0.108 0.000 1.250 102 Y CB -0.476 38.034 38.460 0.083 0.000 1.130 102 Y HN 0.211 nan 8.280 nan 0.000 0.526 103 S N 0.508 116.206 115.700 -0.003 0.000 2.402 103 S HA -0.104 4.366 4.470 0.000 0.000 0.229 103 S C 0.880 175.537 174.600 0.095 0.000 1.021 103 S CA 0.467 58.642 58.200 -0.043 0.000 0.974 103 S CB -0.398 62.865 63.200 0.105 0.000 0.800 103 S HN 0.502 nan 8.310 nan 0.000 0.484 104 K N 3.018 123.538 120.400 0.200 0.000 2.278 104 K HA 0.256 4.576 4.320 0.000 0.000 0.237 104 K C -0.427 176.231 176.600 0.097 0.000 1.229 104 K CA -0.102 56.281 56.287 0.159 0.000 1.155 104 K CB -0.130 32.410 32.500 0.066 0.000 1.590 104 K HN 0.565 nan 8.250 nan 0.000 0.290 105 S N -0.705 115.040 115.700 0.075 0.000 2.579 105 S HA 0.270 4.740 4.470 0.000 0.000 0.272 105 S C -0.187 174.414 174.600 0.002 0.000 1.141 105 S CA -1.072 57.230 58.200 0.170 0.000 0.843 105 S CB 0.925 64.331 63.200 0.343 0.000 1.122 105 S HN 0.410 nan 8.310 nan 0.000 0.468 106 H N 0.948 120.173 119.070 0.259 0.000 3.001 106 H HA 0.395 4.951 4.556 0.000 0.000 0.248 106 H C -0.718 174.744 175.328 0.223 0.000 1.663 106 H CA 0.274 56.449 56.048 0.212 0.000 1.258 106 H CB -0.647 29.409 29.762 0.489 0.000 1.547 106 H HN 0.382 nan 8.280 nan 0.000 0.557 107 I N 2.400 122.984 120.570 0.023 0.000 2.447 107 I HA 0.058 4.228 4.170 0.000 0.000 0.287 107 I C 0.005 176.172 176.117 0.083 0.000 1.023 107 I CA -0.966 60.324 61.300 -0.016 0.000 1.083 107 I CB 1.578 39.583 38.000 0.009 0.000 1.245 107 I HN 0.281 nan 8.210 nan 0.000 0.434 108 N N 3.494 122.278 118.700 0.139 0.000 2.566 108 N HA 0.268 5.008 4.740 0.000 0.000 0.299 108 N C 0.301 175.862 175.510 0.085 0.000 1.277 108 N CA -0.576 52.551 53.050 0.129 0.000 0.965 108 N CB 0.488 38.871 38.487 -0.173 0.000 1.142 108 N HN 0.326 nan 8.380 nan 0.000 0.596 109 D N -0.551 119.878 120.400 0.048 0.000 2.144 109 D HA -0.140 4.500 4.640 0.000 0.000 0.199 109 D C 1.203 177.476 176.300 -0.046 0.000 0.984 109 D CA 1.116 55.129 54.000 0.021 0.000 0.834 109 D CB -0.068 40.733 40.800 0.001 0.000 0.955 109 D HN 0.713 nan 8.370 nan 0.000 0.465 110 E N 0.014 120.175 120.200 -0.066 0.000 2.077 110 E HA -0.117 4.233 4.350 0.000 0.000 0.193 110 E C 2.256 178.817 176.600 -0.064 0.000 0.989 110 E CA 0.485 56.867 56.400 -0.031 0.000 0.800 110 E CB 0.054 29.782 29.700 0.045 0.000 0.746 110 E HN 0.249 nan 8.360 nan 0.000 0.452 111 I N 0.755 121.252 120.570 -0.122 0.000 2.202 111 I HA -0.253 3.917 4.170 0.000 0.000 0.242 111 I C 2.595 178.529 176.117 -0.304 0.000 1.091 111 I CA 1.014 62.134 61.300 -0.299 0.000 1.368 111 I CB -0.202 37.493 38.000 -0.508 0.000 1.058 111 I HN 0.021 nan 8.210 nan 0.000 0.410 112 K N 0.802 121.082 120.400 -0.201 0.000 2.103 112 K HA -0.252 4.068 4.320 0.000 0.000 0.207 112 K C 1.665 178.175 176.600 -0.150 0.000 1.048 112 K CA 1.893 58.077 56.287 -0.172 0.000 0.930 112 K CB -0.047 32.359 32.500 -0.158 0.000 0.716 112 K HN 0.251 nan 8.250 nan 0.000 0.444 113 D N -0.004 120.325 120.400 -0.118 0.000 2.149 113 D HA -0.076 4.564 4.640 0.000 0.000 0.201 113 D C 1.771 178.025 176.300 -0.077 0.000 0.972 113 D CA 1.220 55.169 54.000 -0.086 0.000 0.835 113 D CB -0.068 40.695 40.800 -0.061 0.000 0.966 113 D HN 0.365 nan 8.370 nan 0.000 0.476 114 A N 0.569 123.331 122.820 -0.096 0.000 1.933 114 A HA -0.104 4.216 4.320 0.000 0.000 0.218 114 A C 2.369 179.908 177.584 -0.076 0.000 1.175 114 A CA 0.819 52.806 52.037 -0.082 0.000 0.628 114 A CB -0.640 18.292 19.000 -0.113 0.000 0.814 114 A HN 0.195 nan 8.150 nan 0.000 0.444 115 L N -0.071 121.079 121.223 -0.122 0.000 2.109 115 L HA -0.134 4.206 4.340 0.000 0.000 0.207 115 L C 2.670 179.521 176.870 -0.033 0.000 1.086 115 L CA 1.347 56.143 54.840 -0.073 0.000 0.760 115 L CB -0.481 41.501 42.059 -0.128 0.000 0.910 115 L HN 0.438 nan 8.230 nan 0.000 0.437 116 V N -2.977 116.903 119.914 -0.058 0.000 2.515 116 V HA -0.126 3.994 4.120 0.000 0.000 0.250 116 V C 2.486 178.567 176.094 -0.020 0.000 1.058 116 V CA 1.488 63.761 62.300 -0.045 0.000 1.064 116 V CB -1.145 30.640 31.823 -0.064 0.000 0.675 116 V HN 0.289 nan 8.190 nan 0.000 0.461 117 A N 0.594 123.406 122.820 -0.013 0.000 1.930 117 A HA -0.034 4.286 4.320 0.000 0.000 0.217 117 A C 2.123 179.730 177.584 0.039 0.000 1.175 117 A CA 1.834 53.875 52.037 0.007 0.000 0.627 117 A CB -0.628 18.376 19.000 0.006 0.000 0.815 117 A HN 0.562 nan 8.150 nan 0.000 0.443 118 L N 0.158 121.419 121.223 0.064 0.000 1.989 118 L HA -0.139 4.201 4.340 0.000 0.000 0.211 118 L C 2.657 179.579 176.870 0.086 0.000 1.071 118 L CA 2.442 57.354 54.840 0.119 0.000 0.749 118 L CB -1.032 41.138 42.059 0.186 0.000 0.890 118 L HN 0.341 nan 8.230 nan 0.000 0.431 119 A N -1.214 121.639 122.820 0.055 0.000 1.978 119 A HA -0.181 4.139 4.320 0.000 0.000 0.220 119 A C 2.129 179.722 177.584 0.016 0.000 1.170 119 A CA 1.709 53.764 52.037 0.031 0.000 0.636 119 A CB -0.526 18.483 19.000 0.015 0.000 0.810 119 A HN 0.545 nan 8.150 nan 0.000 0.448 120 E N 0.036 120.241 120.200 0.009 0.000 2.046 120 E HA -0.109 4.241 4.350 0.000 0.000 0.190 120 E C 1.917 178.523 176.600 0.011 0.000 0.982 120 E CA 1.128 57.527 56.400 -0.002 0.000 0.800 120 E CB -0.518 29.176 29.700 -0.009 0.000 0.756 120 E HN 0.743 nan 8.360 nan 0.000 0.449 121 E N 0.210 120.426 120.200 0.028 0.000 2.160 121 E HA -0.161 4.189 4.350 0.000 0.000 0.195 121 E C 1.774 178.395 176.600 0.035 0.000 0.991 121 E CA 0.694 57.117 56.400 0.037 0.000 0.810 121 E CB 0.132 29.867 29.700 0.059 0.000 0.742 121 E HN -0.008 nan 8.360 nan 0.000 0.466 122 R N -0.775 119.746 120.500 0.036 0.000 2.280 122 R HA 0.065 4.405 4.340 0.000 0.000 0.195 122 R C 1.000 177.309 176.300 0.014 0.000 0.935 122 R CA 0.724 56.837 56.100 0.022 0.000 1.033 122 R CB 0.397 30.710 30.300 0.021 0.000 0.964 122 R HN 0.231 nan 8.270 nan 0.000 0.489 123 G N 1.228 110.039 108.800 0.018 0.000 2.289 123 G HA2 -0.227 3.733 3.960 0.000 0.000 0.280 123 G HA3 -0.227 3.733 3.960 0.000 0.000 0.280 123 G C 0.765 175.696 174.900 0.051 0.000 1.089 123 G CA 0.317 45.430 45.100 0.022 0.000 0.939 123 G HN 0.162 nan 8.290 nan 0.000 0.499 124 V N 0.125 120.064 119.914 0.042 0.000 2.358 124 V HA -0.144 3.976 4.120 0.000 0.000 0.246 124 V C 2.859 178.984 176.094 0.053 0.000 1.047 124 V CA 2.706 65.061 62.300 0.091 0.000 1.035 124 V CB -0.378 31.488 31.823 0.072 0.000 0.658 124 V HN 0.640 nan 8.190 nan 0.000 0.452 125 R N 0.174 120.635 120.500 -0.066 0.000 2.092 125 R HA -0.118 4.222 4.340 0.000 0.000 0.231 125 R C 2.230 178.415 176.300 -0.191 0.000 1.119 125 R CA 1.543 57.517 56.100 -0.211 0.000 0.970 125 R CB -0.346 29.819 30.300 -0.224 0.000 0.864 125 R HN 0.488 nan 8.270 nan 0.000 0.440 126 A N 0.210 122.981 122.820 -0.083 0.000 1.968 126 A HA -0.138 4.182 4.320 0.000 0.000 0.217 126 A C 1.876 179.448 177.584 -0.019 0.000 1.169 126 A CA 0.875 52.873 52.037 -0.065 0.000 0.638 126 A CB -0.627 18.360 19.000 -0.021 0.000 0.812 126 A HN 0.522 nan 8.150 nan 0.000 0.446 127 F N 1.246 121.153 119.950 -0.071 0.000 2.146 127 F HA -0.019 4.508 4.527 0.000 0.000 0.298 127 F C 2.427 178.207 175.800 -0.033 0.000 1.096 127 F CA 1.045 59.033 58.000 -0.021 0.000 1.275 127 F CB -0.564 38.452 39.000 0.027 0.000 1.008 127 F HN 0.239 nan 8.300 nan 0.000 0.480 128 A N 0.850 123.544 122.820 -0.210 0.000 1.883 128 A HA -0.288 4.032 4.320 0.000 0.000 0.217 128 A C 2.376 179.623 177.584 -0.560 0.000 1.186 128 A CA 2.119 53.924 52.037 -0.386 0.000 0.624 128 A CB -1.074 17.676 19.000 -0.418 0.000 0.822 128 A HN 0.517 nan 8.150 nan 0.000 0.444 129 K N -0.291 119.812 120.400 -0.495 0.000 2.074 129 K HA -0.166 4.154 4.320 0.000 0.000 0.209 129 K C 2.101 178.582 176.600 -0.198 0.000 1.048 129 K CA 1.528 57.596 56.287 -0.364 0.000 0.926 129 K CB -0.370 31.969 32.500 -0.267 0.000 0.713 129 K HN 0.375 nan 8.250 nan 0.000 0.444 130 A N 1.532 124.229 122.820 -0.205 0.000 1.873 130 A HA -0.173 4.147 4.320 0.000 0.000 0.215 130 A C 2.190 179.666 177.584 -0.181 0.000 1.186 130 A CA 1.607 53.548 52.037 -0.161 0.000 0.616 130 A CB -0.564 18.355 19.000 -0.135 0.000 0.823 130 A HN 0.547 nan 8.150 nan 0.000 0.442 131 M N -1.246 118.184 119.600 -0.284 0.000 2.082 131 M HA -0.171 4.310 4.480 0.000 0.000 0.258 131 M C 1.891 178.153 176.300 -0.063 0.000 1.069 131 M CA 2.003 57.161 55.300 -0.237 0.000 1.102 131 M CB -0.329 32.083 32.600 -0.313 0.000 1.336 131 M HN 0.462 nan 8.290 nan 0.000 0.404 132 F N 0.223 119.999 119.950 -0.291 0.000 2.333 132 F HA -0.206 4.321 4.527 0.000 0.000 0.300 132 F C 0.963 176.624 175.800 -0.231 0.000 1.083 132 F CA 0.320 58.172 58.000 -0.247 0.000 1.395 132 F CB -0.084 38.794 39.000 -0.203 0.000 1.056 132 F HN 0.233 nan 8.300 nan 0.000 0.529 133 D N -0.466 119.913 120.400 -0.034 0.000 2.388 133 D HA 0.169 4.809 4.640 0.000 0.000 0.221 133 D C 1.542 177.756 176.300 -0.145 0.000 1.133 133 D CA 0.655 54.598 54.000 -0.094 0.000 0.831 133 D CB 0.146 40.900 40.800 -0.076 0.000 0.962 133 D HN 0.238 nan 8.370 nan 0.000 0.502 134 G N 1.068 109.749 108.800 -0.198 0.000 2.143 134 G HA2 -0.311 3.649 3.960 0.000 0.000 0.248 134 G HA3 -0.311 3.649 3.960 0.000 0.000 0.248 134 G C 0.299 175.104 174.900 -0.158 0.000 0.991 134 G CA -0.189 44.768 45.100 -0.238 0.000 0.689 134 G HN 0.343 nan 8.290 nan 0.000 0.522 135 Q N -0.363 119.362 119.800 -0.125 0.000 2.392 135 Q HA 0.240 4.580 4.340 0.000 0.000 0.262 135 Q C 0.654 176.622 176.000 -0.053 0.000 1.003 135 Q CA -0.109 55.649 55.803 -0.075 0.000 0.888 135 Q CB 0.589 29.289 28.738 -0.063 0.000 1.260 135 Q HN 0.371 nan 8.270 nan 0.000 0.435 136 R N 1.905 122.406 120.500 0.001 0.000 4.164 136 R HA 0.018 4.358 4.340 0.000 0.000 0.195 136 R C 1.197 177.551 176.300 0.089 0.000 1.712 136 R CA 0.024 56.151 56.100 0.046 0.000 1.457 136 R CB -0.597 29.743 30.300 0.067 0.000 1.387 136 R HN 0.501 nan 8.270 nan 0.000 0.785 137 V N -2.057 117.904 119.914 0.078 0.000 3.141 137 V HA -0.089 4.031 4.120 0.000 0.000 0.265 137 V C 0.955 177.222 176.094 0.288 0.000 1.126 137 V CA 0.895 63.316 62.300 0.202 0.000 1.141 137 V CB -0.619 31.292 31.823 0.147 0.000 0.743 137 V HN 0.457 nan 8.190 nan 0.000 0.492 138 N N 1.151 119.983 118.700 0.220 0.000 2.739 138 N HA 0.091 4.831 4.740 0.000 0.000 0.266 138 N C 1.159 176.810 175.510 0.234 0.000 1.168 138 N CA 0.296 53.509 53.050 0.271 0.000 1.055 138 N CB 0.298 38.925 38.487 0.234 0.000 1.393 138 N HN 0.484 nan 8.380 nan 0.000 0.514 139 S N 0.653 116.497 115.700 0.240 0.000 2.359 139 S HA -0.187 4.283 4.470 0.000 0.000 0.224 139 S C 2.052 176.774 174.600 0.205 0.000 1.035 139 S CA 1.904 60.223 58.200 0.197 0.000 1.018 139 S CB -0.359 62.947 63.200 0.176 0.000 0.876 139 S HN 0.796 nan 8.310 nan 0.000 0.448 140 T N -0.275 114.437 114.554 0.264 0.000 3.088 140 T HA 0.176 4.526 4.350 0.000 0.000 0.259 140 T C 1.205 176.143 174.700 0.398 0.000 1.122 140 T CA 0.547 62.843 62.100 0.325 0.000 1.095 140 T CB -0.105 69.051 68.868 0.481 0.000 0.930 140 T HN 0.429 nan 8.240 nan 0.000 0.508 141 E N 0.926 121.320 120.200 0.323 0.000 2.511 141 E HA 0.200 4.550 4.350 0.000 0.000 0.209 141 E C 0.042 176.763 176.600 0.201 0.000 0.986 141 E CA -0.364 56.201 56.400 0.275 0.000 0.974 141 E CB 0.135 29.947 29.700 0.187 0.000 1.030 141 E HN 0.593 nan 8.360 nan 0.000 0.490 142 N N 1.671 120.482 118.700 0.184 0.000 2.746 142 N HA -0.195 4.545 4.740 0.000 0.000 0.250 142 N C -0.883 174.712 175.510 0.141 0.000 1.055 142 N CA 0.260 53.398 53.050 0.147 0.000 0.699 142 N CB -0.498 38.065 38.487 0.127 0.000 0.919 142 N HN 0.225 nan 8.380 nan 0.000 0.548 143 R N -1.045 119.546 120.500 0.152 0.000 2.764 143 R HA 0.793 5.133 4.340 0.000 0.000 0.270 143 R C -0.650 175.731 176.300 0.136 0.000 1.014 143 R CA -0.404 55.792 56.100 0.159 0.000 0.904 143 R CB 0.900 31.316 30.300 0.194 0.000 1.236 143 R HN 0.055 nan 8.270 nan 0.000 0.466 144 A N 0.856 123.759 122.820 0.137 0.000 2.366 144 A HA 0.469 4.789 4.320 0.000 0.000 0.250 144 A C -0.278 177.352 177.584 0.076 0.000 1.099 144 A CA -0.467 51.591 52.037 0.036 0.000 0.794 144 A CB 0.606 19.540 19.000 -0.110 0.000 1.056 144 A HN 0.382 nan 8.150 nan 0.000 0.499 145 V N 1.575 121.432 119.914 -0.095 0.000 2.385 145 V HA 0.287 4.407 4.120 0.000 0.000 0.277 145 V C -0.330 175.617 176.094 -0.246 0.000 1.012 145 V CA 0.159 62.364 62.300 -0.157 0.000 0.832 145 V CB 0.526 32.032 31.823 -0.528 0.000 1.028 145 V HN 0.697 nan 8.190 nan 0.000 0.436 146 L N 4.309 125.511 121.223 -0.035 0.000 3.186 146 L HA 0.297 4.637 4.340 0.000 0.000 0.292 146 L C 1.626 178.500 176.870 0.006 0.000 1.303 146 L CA -0.194 54.493 54.840 -0.254 0.000 0.940 146 L CB 0.090 41.699 42.059 -0.750 0.000 1.358 146 L HN 0.882 nan 8.230 nan 0.000 0.581 147 H N -1.975 117.132 119.070 0.061 0.000 2.456 147 H HA -0.137 4.419 4.556 0.000 0.000 0.296 147 H C 1.987 177.226 175.328 -0.148 0.000 1.079 147 H CA 1.384 57.486 56.048 0.091 0.000 1.322 147 H CB -0.483 29.377 29.762 0.163 0.000 1.388 147 H HN 0.275 nan 8.280 nan 0.000 0.538 148 V N -0.738 118.837 119.914 -0.566 0.000 2.407 148 V HA -0.183 3.937 4.120 0.000 0.000 0.248 148 V C 2.649 178.539 176.094 -0.341 0.000 1.055 148 V CA 1.490 63.462 62.300 -0.545 0.000 1.049 148 V CB -1.328 29.923 31.823 -0.953 0.000 0.662 148 V HN 0.614 nan 8.190 nan 0.000 0.455 149 A N 1.002 123.643 122.820 -0.298 0.000 1.908 149 A HA -0.102 4.218 4.320 0.000 0.000 0.218 149 A C 2.241 179.812 177.584 -0.023 0.000 1.181 149 A CA 2.284 54.201 52.037 -0.199 0.000 0.627 149 A CB -0.801 18.001 19.000 -0.330 0.000 0.818 149 A HN 0.623 nan 8.150 nan 0.000 0.445 150 L N -0.488 120.805 121.223 0.118 0.000 2.265 150 L HA -0.142 4.198 4.340 0.000 0.000 0.215 150 L C 2.211 179.154 176.870 0.122 0.000 1.117 150 L CA 1.435 56.425 54.840 0.249 0.000 0.782 150 L CB -0.341 41.958 42.059 0.400 0.000 0.914 150 L HN 0.569 nan 8.230 nan 0.000 0.441 151 R N -0.851 119.620 120.500 -0.049 0.000 2.662 151 R HA 0.108 4.448 4.340 0.000 0.000 0.396 151 R C 0.045 176.247 176.300 -0.163 0.000 1.096 151 R CA -0.230 55.797 56.100 -0.122 0.000 1.081 151 R CB -0.644 29.484 30.300 -0.287 0.000 1.382 151 R HN -0.005 nan 8.270 nan 0.000 0.580 152 N N 2.252 120.862 118.700 -0.150 0.000 2.819 152 N HA 0.031 4.771 4.740 0.000 0.000 0.284 152 N C 0.578 175.871 175.510 -0.362 0.000 1.196 152 N CA -0.188 52.735 53.050 -0.211 0.000 1.114 152 N CB 0.505 38.915 38.487 -0.129 0.000 1.437 152 N HN 0.075 nan 8.380 nan 0.000 0.518 153 R N 0.374 120.430 120.500 -0.739 0.000 2.127 153 R HA -0.092 4.248 4.340 0.000 0.000 0.238 153 R C 1.706 177.824 176.300 -0.302 0.000 1.134 153 R CA 1.249 57.063 56.100 -0.476 0.000 0.975 153 R CB -1.062 28.946 30.300 -0.487 0.000 0.865 153 R HN 0.624 nan 8.270 nan 0.000 0.447 154 S N 0.419 115.922 115.700 -0.329 0.000 2.522 154 S HA -0.027 4.443 4.470 0.000 0.000 0.227 154 S C 0.532 175.096 174.600 -0.060 0.000 0.986 154 S CA 0.177 58.324 58.200 -0.090 0.000 0.929 154 S CB -0.105 63.125 63.200 0.051 0.000 0.769 154 S HN 0.251 nan 8.310 nan 0.000 0.529 155 N N 1.019 119.667 118.700 -0.086 0.000 2.782 155 N HA -0.182 4.558 4.740 0.000 0.000 0.251 155 N C 0.011 175.493 175.510 -0.048 0.000 1.101 155 N CA 0.978 53.992 53.050 -0.060 0.000 0.764 155 N CB -1.659 36.804 38.487 -0.040 0.000 1.122 155 N HN 0.749 nan 8.380 nan 0.000 0.561 156 R N 1.618 122.097 120.500 -0.035 0.000 2.730 156 R HA -0.040 4.300 4.340 0.000 0.000 0.327 156 R C -2.047 174.215 176.300 -0.063 0.000 0.825 156 R CA -0.284 55.797 56.100 -0.033 0.000 1.130 156 R CB 0.337 30.631 30.300 -0.010 0.000 0.883 156 R HN 0.034 nan 8.270 nan 0.000 0.407 157 P HA 0.003 nan 4.420 nan 0.000 0.268 157 P C -0.588 176.646 177.300 -0.109 0.000 1.205 157 P CA 0.518 63.569 63.100 -0.082 0.000 0.771 157 P CB 0.566 32.227 31.700 -0.064 0.000 0.858 158 I N 3.348 123.828 120.570 -0.150 0.000 2.499 158 I HA 0.319 4.489 4.170 0.000 0.000 0.288 158 I C -0.208 175.785 176.117 -0.208 0.000 1.048 158 I CA -0.880 60.302 61.300 -0.197 0.000 1.062 158 I CB 1.767 39.598 38.000 -0.282 0.000 1.238 158 I HN 0.093 nan 8.210 nan 0.000 0.426 159 I N 7.239 127.704 120.570 -0.174 0.000 2.330 159 I HA 0.375 4.545 4.170 0.000 0.000 0.289 159 I C -0.403 175.623 176.117 -0.152 0.000 1.001 159 I CA -0.436 60.779 61.300 -0.141 0.000 1.193 159 I CB 1.535 39.478 38.000 -0.094 0.000 1.345 159 I HN 0.141 nan 8.210 nan 0.000 0.461 160 V N 5.144 124.968 119.914 -0.150 0.000 2.487 160 V HA 0.383 4.503 4.120 0.000 0.000 0.298 160 V C -0.429 175.647 176.094 -0.031 0.000 1.028 160 V CA -0.755 61.483 62.300 -0.103 0.000 0.860 160 V CB 1.591 33.329 31.823 -0.142 0.000 0.991 160 V HN 0.782 nan 8.190 nan 0.000 0.427 161 D N 3.689 124.086 120.400 -0.005 0.000 2.723 161 D HA -0.167 4.473 4.640 0.000 0.000 0.236 161 D C 1.276 177.577 176.300 0.001 0.000 1.138 161 D CA 1.826 55.834 54.000 0.014 0.000 0.676 161 D CB -1.200 39.626 40.800 0.043 0.000 1.069 161 D HN 1.524 nan 8.370 nan 0.000 0.430 162 G N -0.608 108.183 108.800 -0.015 0.000 2.179 162 G HA2 -0.375 3.585 3.960 0.000 0.000 0.257 162 G HA3 -0.375 3.585 3.960 0.000 0.000 0.257 162 G C 0.249 175.136 174.900 -0.022 0.000 1.010 162 G CA 0.881 45.971 45.100 -0.017 0.000 0.736 162 G HN 0.652 nan 8.290 nan 0.000 0.513 163 K N -0.304 120.076 120.400 -0.033 0.000 2.469 163 K HA 0.418 4.739 4.320 0.000 0.000 0.254 163 K C -1.604 174.952 176.600 -0.072 0.000 0.939 163 K CA -0.959 55.304 56.287 -0.040 0.000 0.812 163 K CB 1.443 33.928 32.500 -0.025 0.000 1.301 163 K HN -0.002 nan 8.250 nan 0.000 0.433 164 D N 2.934 123.290 120.400 -0.074 0.000 2.339 164 D HA 0.039 4.679 4.640 0.000 0.000 0.241 164 D C 1.145 177.370 176.300 -0.124 0.000 1.183 164 D CA -0.353 53.587 54.000 -0.100 0.000 0.859 164 D CB 1.452 42.207 40.800 -0.075 0.000 1.067 164 D HN 0.347 nan 8.370 nan 0.000 0.484 165 V N 2.553 122.355 119.914 -0.187 0.000 2.913 165 V HA -0.168 3.952 4.120 0.000 0.000 0.260 165 V C 1.868 177.844 176.094 -0.196 0.000 1.098 165 V CA 0.772 62.937 62.300 -0.225 0.000 1.121 165 V CB -0.646 30.962 31.823 -0.357 0.000 0.714 165 V HN 0.452 nan 8.190 nan 0.000 0.487 166 M N 0.687 120.200 119.600 -0.145 0.000 2.229 166 M HA -0.066 4.414 4.480 0.000 0.000 0.264 166 M C 2.479 178.756 176.300 -0.038 0.000 1.063 166 M CA 1.852 57.102 55.300 -0.083 0.000 1.114 166 M CB -1.610 30.944 32.600 -0.076 0.000 1.387 166 M HN 0.614 nan 8.290 nan 0.000 0.420 167 S N 0.998 116.673 115.700 -0.042 0.000 2.401 167 S HA -0.227 4.243 4.470 0.000 0.000 0.236 167 S C 1.590 176.200 174.600 0.017 0.000 1.058 167 S CA 2.129 60.323 58.200 -0.009 0.000 1.151 167 S CB -0.201 62.989 63.200 -0.018 0.000 1.049 167 S HN 0.430 nan 8.310 nan 0.000 0.432 168 D N 0.113 120.494 120.400 -0.032 0.000 2.117 168 D HA -0.045 4.595 4.640 0.000 0.000 0.198 168 D C 2.152 178.542 176.300 0.150 0.000 0.982 168 D CA 1.099 55.111 54.000 0.019 0.000 0.828 168 D CB -0.671 39.999 40.800 -0.218 0.000 0.967 168 D HN 0.304 nan 8.370 nan 0.000 0.464 169 V N 1.778 121.708 119.914 0.027 0.000 2.287 169 V HA -0.238 3.882 4.120 0.000 0.000 0.248 169 V C 2.090 178.348 176.094 0.274 0.000 1.053 169 V CA 1.562 64.020 62.300 0.263 0.000 1.027 169 V CB -0.423 31.509 31.823 0.182 0.000 0.646 169 V HN 0.160 nan 8.190 nan 0.000 0.447 170 N N 0.319 119.121 118.700 0.170 0.000 2.244 170 N HA -0.099 4.641 4.740 0.000 0.000 0.183 170 N C 1.649 177.267 175.510 0.180 0.000 1.016 170 N CA 1.026 54.174 53.050 0.163 0.000 0.866 170 N CB -0.481 38.066 38.487 0.101 0.000 0.980 170 N HN 0.472 nan 8.380 nan 0.000 0.430 171 N N 0.413 119.218 118.700 0.176 0.000 2.142 171 N HA -0.063 4.677 4.740 0.000 0.000 0.186 171 N C 1.820 177.460 175.510 0.216 0.000 1.023 171 N CA 0.600 53.752 53.050 0.170 0.000 0.852 171 N CB -0.459 38.116 38.487 0.147 0.000 0.998 171 N HN 0.023 nan 8.380 nan 0.000 0.424 172 V N 1.525 121.618 119.914 0.298 0.000 2.427 172 V HA -0.098 4.022 4.120 0.000 0.000 0.248 172 V C 2.373 178.661 176.094 0.322 0.000 1.051 172 V CA 0.928 63.426 62.300 0.330 0.000 1.048 172 V CB -0.458 31.611 31.823 0.410 0.000 0.666 172 V HN 0.230 nan 8.190 nan 0.000 0.456 173 L N 0.270 121.684 121.223 0.317 0.000 2.017 173 L HA -0.163 4.177 4.340 0.000 0.000 0.208 173 L C 2.674 179.725 176.870 0.301 0.000 1.073 173 L CA 1.761 56.794 54.840 0.323 0.000 0.745 173 L CB -0.712 41.553 42.059 0.342 0.000 0.894 173 L HN 0.374 nan 8.230 nan 0.000 0.432 174 A N -1.009 121.950 122.820 0.233 0.000 2.067 174 A HA -0.229 4.091 4.320 0.000 0.000 0.219 174 A C 2.216 179.883 177.584 0.139 0.000 1.158 174 A CA 1.430 53.550 52.037 0.140 0.000 0.661 174 A CB -0.394 18.672 19.000 0.108 0.000 0.801 174 A HN 0.534 nan 8.150 nan 0.000 0.452 175 Q N -0.822 119.102 119.800 0.207 0.000 2.062 175 Q HA -0.058 4.282 4.340 0.000 0.000 0.196 175 Q C 2.029 178.263 176.000 0.391 0.000 0.967 175 Q CA 1.215 57.170 55.803 0.255 0.000 0.832 175 Q CB -0.164 28.710 28.738 0.228 0.000 0.899 175 Q HN 0.669 nan 8.270 nan 0.000 0.442 176 M N 0.548 120.362 119.600 0.356 0.000 2.117 176 M HA -0.195 4.285 4.480 0.000 0.000 0.262 176 M C 2.297 178.701 176.300 0.173 0.000 1.065 176 M CA 1.678 57.091 55.300 0.187 0.000 1.114 176 M CB -0.242 32.361 32.600 0.006 0.000 1.361 176 M HN 0.120 nan 8.290 nan 0.000 0.408 177 K N 0.729 121.208 120.400 0.132 0.000 2.001 177 K HA -0.279 4.041 4.320 0.000 0.000 0.214 177 K C 1.563 178.133 176.600 -0.049 0.000 1.050 177 K CA 2.467 58.700 56.287 -0.089 0.000 0.934 177 K CB -0.249 31.942 32.500 -0.515 0.000 0.718 177 K HN 0.247 nan 8.250 nan 0.000 0.443 178 D N -0.745 119.673 120.400 0.029 0.000 2.117 178 D HA -0.196 4.444 4.640 0.000 0.000 0.197 178 D C 1.827 178.219 176.300 0.154 0.000 0.987 178 D CA 1.170 55.212 54.000 0.070 0.000 0.829 178 D CB -0.151 40.708 40.800 0.098 0.000 0.961 178 D HN 0.332 nan 8.370 nan 0.000 0.460 179 F N 0.741 120.751 119.950 0.101 0.000 2.113 179 F HA -0.127 4.400 4.527 0.000 0.000 0.297 179 F C 2.371 178.162 175.800 -0.014 0.000 1.103 179 F CA 2.295 60.367 58.000 0.120 0.000 1.248 179 F CB -0.891 38.252 39.000 0.239 0.000 0.999 179 F HN 0.072 nan 8.300 nan 0.000 0.475 180 T N -2.542 111.913 114.554 -0.166 0.000 2.896 180 T HA -0.083 4.267 4.350 0.000 0.000 0.263 180 T C 1.756 176.298 174.700 -0.262 0.000 1.050 180 T CA 1.180 63.065 62.100 -0.359 0.000 1.140 180 T CB -0.660 68.112 68.868 -0.160 0.000 0.877 180 T HN 0.411 nan 8.240 nan 0.000 0.457 181 E N 1.005 121.127 120.200 -0.130 0.000 2.130 181 E HA -0.126 4.224 4.350 0.000 0.000 0.196 181 E C 2.566 179.106 176.600 -0.099 0.000 0.998 181 E CA 0.995 57.343 56.400 -0.088 0.000 0.806 181 E CB -0.068 29.599 29.700 -0.056 0.000 0.738 181 E HN 0.491 nan 8.360 nan 0.000 0.459 182 R N -0.255 120.180 120.500 -0.108 0.000 2.127 182 R HA -0.025 4.315 4.340 0.000 0.000 0.217 182 R C 2.340 178.575 176.300 -0.108 0.000 1.074 182 R CA 0.589 56.661 56.100 -0.047 0.000 0.991 182 R CB 0.093 30.439 30.300 0.078 0.000 0.895 182 R HN 0.045 nan 8.270 nan 0.000 0.450 183 V N 0.936 120.643 119.914 -0.344 0.000 2.270 183 V HA -0.220 3.900 4.120 0.000 0.000 0.245 183 V C 2.138 178.057 176.094 -0.292 0.000 1.043 183 V CA 1.712 63.756 62.300 -0.427 0.000 1.014 183 V CB -0.407 30.955 31.823 -0.768 0.000 0.645 183 V HN 0.258 nan 8.190 nan 0.000 0.447 184 R N 1.028 121.373 120.500 -0.259 0.000 2.152 184 R HA -0.118 4.222 4.340 0.000 0.000 0.232 184 R C 2.479 178.708 176.300 -0.118 0.000 1.117 184 R CA 1.503 57.498 56.100 -0.175 0.000 0.981 184 R CB -0.488 29.732 30.300 -0.133 0.000 0.870 184 R HN 0.704 nan 8.270 nan 0.000 0.451 185 S N -1.155 114.486 115.700 -0.097 0.000 2.453 185 S HA 0.046 4.516 4.470 0.000 0.000 0.231 185 S C 1.637 176.202 174.600 -0.057 0.000 1.005 185 S CA 0.805 58.970 58.200 -0.057 0.000 0.949 185 S CB 0.359 63.537 63.200 -0.036 0.000 0.774 185 S HN 0.515 nan 8.310 nan 0.000 0.510 186 G N 1.421 110.169 108.800 -0.087 0.000 2.259 186 G HA2 -0.332 3.628 3.960 0.000 0.000 0.217 186 G HA3 -0.332 3.628 3.960 0.000 0.000 0.217 186 G C 0.747 175.629 174.900 -0.031 0.000 1.001 186 G CA 0.709 45.757 45.100 -0.087 0.000 0.627 186 G HN 0.656 nan 8.290 nan 0.000 0.501 187 E N -0.364 119.833 120.200 -0.006 0.000 2.153 187 E HA -0.092 4.258 4.350 0.000 0.000 0.194 187 E C 1.176 177.808 176.600 0.052 0.000 0.988 187 E CA 0.757 57.167 56.400 0.017 0.000 0.811 187 E CB -0.064 29.645 29.700 0.015 0.000 0.746 187 E HN 0.528 nan 8.360 nan 0.000 0.466 188 W N 2.188 123.416 121.300 -0.120 0.000 2.304 188 W HA 0.313 4.973 4.660 0.000 0.000 0.313 188 W C -0.984 175.461 176.519 -0.125 0.000 1.323 188 W CA -0.286 56.989 57.345 -0.116 0.000 1.223 188 W CB 0.617 29.976 29.460 -0.168 0.000 1.237 188 W HN -0.161 nan 8.180 nan 0.000 0.535 189 K N 3.774 124.095 120.400 -0.133 0.000 2.316 189 K HA 0.566 4.886 4.320 0.000 0.000 0.251 189 K C 0.632 177.164 176.600 -0.113 0.000 0.934 189 K CA -0.491 55.774 56.287 -0.036 0.000 0.802 189 K CB 1.804 34.277 32.500 -0.044 0.000 1.171 189 K HN 0.529 nan 8.250 nan 0.000 0.426 190 G N 0.383 109.186 108.800 0.004 0.000 2.611 190 G HA2 -0.062 3.898 3.960 0.000 0.000 0.273 190 G HA3 -0.062 3.898 3.960 0.000 0.000 0.273 190 G C 0.444 175.484 174.900 0.233 0.000 1.305 190 G CA -0.058 45.008 45.100 -0.057 0.000 1.010 190 G HN 0.620 nan 8.290 nan 0.000 0.509 191 Q N -1.261 118.913 119.800 0.624 0.000 2.364 191 Q HA -0.068 4.272 4.340 0.000 0.000 0.207 191 Q C 2.361 178.468 176.000 0.178 0.000 0.970 191 Q CA 2.198 58.186 55.803 0.308 0.000 0.888 191 Q CB -0.173 28.727 28.738 0.270 0.000 0.951 191 Q HN 0.628 nan 8.270 nan 0.000 0.469 192 T N -5.524 109.140 114.554 0.184 0.000 3.040 192 T HA 0.416 4.766 4.350 0.000 0.000 0.250 192 T C 1.188 175.945 174.700 0.095 0.000 1.058 192 T CA 0.288 62.466 62.100 0.130 0.000 0.988 192 T CB 0.692 69.650 68.868 0.150 0.000 0.993 192 T HN 0.346 nan 8.240 nan 0.000 0.519 193 G N 1.025 109.876 108.800 0.085 0.000 2.168 193 G HA2 -0.158 3.802 3.960 0.000 0.000 0.197 193 G HA3 -0.158 3.802 3.960 0.000 0.000 0.197 193 G C -0.151 174.785 174.900 0.061 0.000 0.997 193 G CA -0.425 44.708 45.100 0.054 0.000 0.658 193 G HN 0.600 nan 8.290 nan 0.000 0.513 194 K N 1.118 121.571 120.400 0.088 0.000 2.118 194 K HA 0.618 4.939 4.320 0.000 0.000 0.267 194 K C 0.539 177.175 176.600 0.061 0.000 0.991 194 K CA -0.308 56.038 56.287 0.098 0.000 0.916 194 K CB 1.099 33.682 32.500 0.139 0.000 1.041 194 K HN 0.159 nan 8.250 nan 0.000 0.455 195 S N 1.442 117.153 115.700 0.019 0.000 2.600 195 S HA 0.184 4.654 4.470 0.000 0.000 0.265 195 S C 0.149 174.588 174.600 -0.269 0.000 1.325 195 S CA -0.579 57.545 58.200 -0.127 0.000 1.002 195 S CB 0.368 63.433 63.200 -0.226 0.000 0.921 195 S HN 0.279 nan 8.310 nan 0.000 0.554 196 I N 1.636 121.988 120.570 -0.363 0.000 2.342 196 I HA 0.232 4.402 4.170 0.000 0.000 0.291 196 I C -0.233 175.543 176.117 -0.569 0.000 1.010 196 I CA 0.110 61.205 61.300 -0.341 0.000 1.308 196 I CB 0.484 38.314 38.000 -0.284 0.000 1.400 196 I HN 0.598 nan 8.210 nan 0.000 0.488 197 Y N 3.574 123.852 120.300 -0.036 0.000 2.527 197 Y HA 0.342 4.892 4.550 0.000 0.000 0.247 197 Y C -0.159 175.753 175.900 0.020 0.000 1.138 197 Y CA -0.664 57.434 58.100 -0.003 0.000 1.228 197 Y CB 0.106 38.586 38.460 0.035 0.000 1.252 197 Y HN 0.495 nan 8.280 nan 0.000 0.531 198 N N 0.203 118.930 118.700 0.046 0.000 2.277 198 N HA 0.591 5.331 4.740 0.000 0.000 0.286 198 N C -1.602 173.821 175.510 -0.145 0.000 1.140 198 N CA -0.490 52.573 53.050 0.022 0.000 0.799 198 N CB 2.331 40.840 38.487 0.036 0.000 1.596 198 N HN -0.105 nan 8.380 nan 0.000 0.473 199 I N 0.951 121.442 120.570 -0.132 0.000 2.478 199 I HA 0.381 4.551 4.170 0.000 0.000 0.287 199 I C -1.042 174.938 176.117 -0.228 0.000 1.042 199 I CA -1.100 60.058 61.300 -0.236 0.000 1.067 199 I CB 2.005 39.874 38.000 -0.218 0.000 1.233 199 I HN 0.291 nan 8.210 nan 0.000 0.431 200 V N 7.246 126.964 119.914 -0.326 0.000 2.350 200 V HA 0.446 4.566 4.120 0.000 0.000 0.285 200 V C -0.662 175.362 176.094 -0.117 0.000 1.014 200 V CA -0.314 61.856 62.300 -0.217 0.000 0.831 200 V CB 1.566 33.270 31.823 -0.199 0.000 1.000 200 V HN 0.794 nan 8.190 nan 0.000 0.433 201 N N 6.415 125.015 118.700 -0.166 0.000 2.444 201 N HA 0.431 5.171 4.740 0.000 0.000 0.271 201 N C -0.917 174.632 175.510 0.065 0.000 1.069 201 N CA -0.271 52.755 53.050 -0.039 0.000 0.965 201 N CB 1.167 39.637 38.487 -0.027 0.000 1.092 201 N HN 0.769 nan 8.380 nan 0.000 0.476 202 I N 2.253 122.879 120.570 0.093 0.000 2.406 202 I HA 0.579 4.749 4.170 0.000 0.000 0.290 202 I C 0.771 176.933 176.117 0.076 0.000 0.999 202 I CA -0.544 60.812 61.300 0.093 0.000 1.124 202 I CB 1.740 39.797 38.000 0.094 0.000 1.289 202 I HN 0.632 nan 8.210 nan 0.000 0.441 203 G N 6.192 115.037 108.800 0.076 0.000 2.356 203 G HA2 0.314 4.274 3.960 0.000 0.000 0.288 203 G HA3 0.314 4.274 3.960 0.000 0.000 0.288 203 G C -1.951 172.985 174.900 0.059 0.000 1.302 203 G CA -0.625 44.507 45.100 0.053 0.000 0.887 203 G HN 0.702 nan 8.290 nan 0.000 0.521 204 I N -0.625 119.965 120.570 0.033 0.000 3.095 204 I HA 0.703 4.873 4.170 0.000 0.000 0.310 204 I C 0.955 177.070 176.117 -0.004 0.000 1.196 204 I CA 0.835 62.148 61.300 0.022 0.000 0.985 204 I CB 1.631 39.642 38.000 0.019 0.000 1.250 204 I HN 2.532 nan 8.210 nan 0.000 0.446 205 G N 3.511 112.299 108.800 -0.020 0.000 2.561 205 G HA2 -0.329 3.631 3.960 0.000 0.000 0.289 205 G HA3 -0.329 3.631 3.960 0.000 0.000 0.289 205 G C 0.848 175.709 174.900 -0.065 0.000 1.169 205 G CA 0.550 45.623 45.100 -0.046 0.000 0.980 205 G HN 1.607 nan 8.290 nan 0.000 0.550 206 G N -0.454 108.301 108.800 -0.075 0.000 2.498 206 G HA2 0.144 4.104 3.960 0.000 0.000 0.219 206 G HA3 0.144 4.104 3.960 0.000 0.000 0.219 206 G C 1.725 176.585 174.900 -0.067 0.000 1.119 206 G CA 1.878 46.927 45.100 -0.084 0.000 0.766 206 G HN 1.173 nan 8.290 nan 0.000 0.552 207 S N -0.604 115.065 115.700 -0.051 0.000 2.631 207 S HA 0.078 4.548 4.470 0.000 0.000 0.217 207 S C 1.325 175.920 174.600 -0.009 0.000 0.958 207 S CA 0.553 58.727 58.200 -0.044 0.000 0.920 207 S CB 0.103 63.290 63.200 -0.022 0.000 0.776 207 S HN 0.642 nan 8.310 nan 0.000 0.517 208 D N -0.328 120.054 120.400 -0.029 0.000 2.618 208 D HA 0.055 4.695 4.640 0.000 0.000 0.278 208 D C 1.622 177.827 176.300 -0.159 0.000 1.203 208 D CA -0.034 53.947 54.000 -0.032 0.000 1.073 208 D CB -0.308 40.502 40.800 0.016 0.000 1.632 208 D HN 0.169 nan 8.370 nan 0.000 0.473 209 L N 2.187 123.342 121.223 -0.114 0.000 1.989 209 L HA 0.065 4.405 4.340 0.000 0.000 0.211 209 L C 2.522 179.343 176.870 -0.082 0.000 1.071 209 L CA 2.594 57.372 54.840 -0.103 0.000 0.749 209 L CB -1.254 40.774 42.059 -0.051 0.000 0.890 209 L HN 0.252 nan 8.230 nan 0.000 0.431 210 G N -0.459 108.349 108.800 0.014 0.000 2.545 210 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 210 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 210 G C -0.583 174.126 174.900 -0.317 0.000 1.218 210 G CA 1.007 46.039 45.100 -0.113 0.000 0.787 210 G HN 0.334 nan 8.290 nan 0.000 0.571 211 P HA -0.098 nan 4.420 nan 0.000 0.216 211 P C 2.163 179.107 177.300 -0.593 0.000 1.154 211 P CA 1.208 64.128 63.100 -0.299 0.000 0.865 211 P CB -0.169 31.466 31.700 -0.108 0.000 0.789 212 V N -0.456 118.955 119.914 -0.838 0.000 2.270 212 V HA -0.242 3.878 4.120 0.000 0.000 0.245 212 V C 2.463 178.225 176.094 -0.553 0.000 1.043 212 V CA 1.923 63.655 62.300 -0.945 0.000 1.014 212 V CB -1.103 30.257 31.823 -0.771 0.000 0.645 212 V HN 0.165 nan 8.190 nan 0.000 0.447 213 M N -0.170 119.144 119.600 -0.477 0.000 2.159 213 M HA -0.129 4.351 4.480 0.000 0.000 0.263 213 M C 2.056 178.125 176.300 -0.386 0.000 1.063 213 M CA 2.032 57.069 55.300 -0.439 0.000 1.110 213 M CB -0.409 31.919 32.600 -0.453 0.000 1.374 213 M HN 0.254 nan 8.290 nan 0.000 0.411 214 V N 0.499 120.154 119.914 -0.431 0.000 2.488 214 V HA -0.185 3.935 4.120 0.000 0.000 0.246 214 V C 2.608 178.509 176.094 -0.323 0.000 1.046 214 V CA 2.025 64.062 62.300 -0.439 0.000 1.053 214 V CB -1.052 30.404 31.823 -0.612 0.000 0.679 214 V HN 0.671 nan 8.190 nan 0.000 0.458 215 T N -2.443 111.961 114.554 -0.249 0.000 2.821 215 T HA -0.161 4.189 4.350 0.000 0.000 0.267 215 T C 1.734 176.395 174.700 -0.065 0.000 1.046 215 T CA 1.154 63.182 62.100 -0.120 0.000 1.139 215 T CB -0.246 68.628 68.868 0.011 0.000 0.871 215 T HN 0.357 nan 8.240 nan 0.000 0.454 216 E N 2.069 122.233 120.200 -0.059 0.000 2.023 216 E HA -0.066 4.284 4.350 0.000 0.000 0.196 216 E C 2.704 179.361 176.600 0.094 0.000 1.003 216 E CA 1.571 58.020 56.400 0.083 0.000 0.809 216 E CB -1.014 28.737 29.700 0.085 0.000 0.755 216 E HN 0.674 nan 8.360 nan 0.000 0.449 217 A N 0.713 123.531 122.820 -0.004 0.000 1.986 217 A HA -0.142 4.178 4.320 0.000 0.000 0.220 217 A C 1.995 179.539 177.584 -0.068 0.000 1.171 217 A CA 1.213 53.259 52.037 0.016 0.000 0.640 217 A CB -0.380 18.580 19.000 -0.067 0.000 0.811 217 A HN 0.215 nan 8.150 nan 0.000 0.451 218 L N -1.304 119.859 121.223 -0.101 0.000 3.110 218 L HA 0.150 4.490 4.340 0.000 0.000 0.266 218 L C 1.299 178.150 176.870 -0.032 0.000 1.257 218 L CA -0.276 54.556 54.840 -0.015 0.000 1.038 218 L CB 0.146 42.161 42.059 -0.074 0.000 1.395 218 L HN 0.214 nan 8.230 nan 0.000 0.566 219 K N 0.938 121.225 120.400 -0.189 0.000 2.127 219 K HA -0.169 4.151 4.320 0.000 0.000 0.208 219 K C -0.651 175.791 176.600 -0.263 0.000 1.047 219 K CA 1.402 57.580 56.287 -0.182 0.000 0.927 219 K CB -0.904 31.531 32.500 -0.109 0.000 0.716 219 K HN 0.325 nan 8.250 nan 0.000 0.450 220 P HA -0.093 nan 4.420 nan 0.000 0.230 220 P C 0.482 177.332 177.300 -0.750 0.000 1.158 220 P CA 1.035 63.763 63.100 -0.620 0.000 0.769 220 P CB -0.015 31.169 31.700 -0.859 0.000 0.807 221 F N -1.047 118.806 119.950 -0.162 0.000 2.653 221 F HA 0.180 4.707 4.527 0.000 0.000 0.304 221 F C 1.078 176.822 175.800 -0.095 0.000 1.092 221 F CA -0.377 57.558 58.000 -0.108 0.000 1.279 221 F CB -0.190 38.749 39.000 -0.102 0.000 1.044 221 F HN -0.188 nan 8.300 nan 0.000 0.564 222 S N 0.159 115.853 115.700 -0.009 0.000 2.489 222 S HA 0.319 4.789 4.470 0.000 0.000 0.291 222 S C -0.300 174.265 174.600 -0.059 0.000 1.151 222 S CA -0.969 57.214 58.200 -0.029 0.000 1.082 222 S CB 1.439 64.605 63.200 -0.056 0.000 1.019 222 S HN 0.227 nan 8.310 nan 0.000 0.492 223 K N 2.149 122.518 120.400 -0.052 0.000 2.405 223 K HA -0.013 4.307 4.320 0.000 0.000 0.273 223 K C 1.055 177.599 176.600 -0.093 0.000 1.116 223 K CA -0.130 56.122 56.287 -0.059 0.000 1.155 223 K CB 0.355 32.822 32.500 -0.055 0.000 0.858 223 K HN 0.577 nan 8.250 nan 0.000 0.477 224 R N 3.012 123.455 120.500 -0.095 0.000 2.119 224 R HA -0.083 4.257 4.340 0.000 0.000 0.222 224 R C 0.946 177.132 176.300 -0.190 0.000 1.088 224 R CA 0.763 56.777 56.100 -0.144 0.000 0.984 224 R CB -0.391 29.845 30.300 -0.107 0.000 0.884 224 R HN 0.724 nan 8.270 nan 0.000 0.447 225 D N 1.655 122.010 120.400 -0.075 0.000 2.192 225 D HA -0.149 4.491 4.640 0.000 0.000 0.189 225 D C 0.747 177.082 176.300 0.058 0.000 1.007 225 D CA 1.240 55.258 54.000 0.030 0.000 0.859 225 D CB -0.165 40.738 40.800 0.171 0.000 0.936 225 D HN 0.097 nan 8.370 nan 0.000 0.447 226 L N 0.469 121.681 121.223 -0.018 0.000 2.262 226 L HA 0.432 4.772 4.340 0.000 0.000 0.288 226 L C -0.575 176.223 176.870 -0.121 0.000 1.035 226 L CA -0.922 53.928 54.840 0.017 0.000 0.820 226 L CB -0.304 41.736 42.059 -0.032 0.000 1.204 226 L HN -0.125 nan 8.230 nan 0.000 0.424 227 H N 1.967 120.999 119.070 -0.063 0.000 2.652 227 H HA 0.459 5.015 4.556 0.000 0.000 0.349 227 H C -0.277 174.861 175.328 -0.317 0.000 1.099 227 H CA 0.240 56.160 56.048 -0.214 0.000 1.417 227 H CB 1.028 30.652 29.762 -0.229 0.000 1.457 227 H HN 0.769 nan 8.280 nan 0.000 0.568 228 C N 4.270 123.340 119.300 -0.385 0.000 2.379 228 C HA 0.497 4.957 4.460 0.000 0.000 0.323 228 C C -0.652 173.915 174.990 -0.705 0.000 1.262 228 C CA -0.761 57.988 59.018 -0.448 0.000 1.581 228 C CB -0.903 26.658 27.740 -0.298 0.000 2.221 228 C HN 0.612 nan 8.230 nan 0.000 0.497 229 F N 1.849 121.478 119.950 -0.535 0.000 2.551 229 F HA 0.671 5.198 4.527 0.000 0.000 0.316 229 F C -0.369 175.030 175.800 -0.668 0.000 1.089 229 F CA -0.717 57.055 58.000 -0.379 0.000 0.915 229 F CB 1.128 39.989 39.000 -0.231 0.000 1.186 229 F HN 0.391 nan 8.300 nan 0.000 0.456 230 F N 2.270 122.360 119.950 0.233 0.000 2.445 230 F HA 0.540 5.067 4.527 0.000 0.000 0.348 230 F C -0.628 175.298 175.800 0.210 0.000 1.125 230 F CA -1.125 56.970 58.000 0.158 0.000 0.983 230 F CB 1.520 40.583 39.000 0.104 0.000 1.198 230 F HN 0.015 nan 8.300 nan 0.000 0.436 231 V N 2.626 122.679 119.914 0.231 0.000 2.350 231 V HA 0.248 4.368 4.120 0.000 0.000 0.276 231 V C 0.510 176.728 176.094 0.207 0.000 1.028 231 V CA -0.153 62.279 62.300 0.220 0.000 0.860 231 V CB 1.068 32.913 31.823 0.038 0.000 0.990 231 V HN 0.899 nan 8.190 nan 0.000 0.453 232 S N 2.367 118.203 115.700 0.226 0.000 2.520 232 S HA 0.062 4.532 4.470 0.000 0.000 0.219 232 S C 0.673 175.331 174.600 0.096 0.000 1.028 232 S CA -0.352 57.926 58.200 0.131 0.000 0.921 232 S CB -0.078 63.183 63.200 0.101 0.000 0.844 232 S HN 0.784 nan 8.310 nan 0.000 0.495 233 N N 2.214 120.985 118.700 0.118 0.000 2.530 233 N HA 0.176 4.916 4.740 0.000 0.000 0.273 233 N C 1.051 176.599 175.510 0.063 0.000 1.173 233 N CA -0.324 52.776 53.050 0.083 0.000 0.967 233 N CB 0.929 39.472 38.487 0.093 0.000 1.109 233 N HN -0.009 nan 8.380 nan 0.000 0.453 234 V N 0.177 120.117 119.914 0.043 0.000 2.283 234 V HA -0.179 3.941 4.120 0.000 0.000 0.243 234 V C 0.423 176.536 176.094 0.032 0.000 1.039 234 V CA 1.631 63.949 62.300 0.030 0.000 1.016 234 V CB -1.262 30.572 31.823 0.019 0.000 0.650 234 V HN 0.848 nan 8.190 nan 0.000 0.449 235 D N 1.375 121.797 120.400 0.036 0.000 2.443 235 D HA 0.111 4.751 4.640 0.000 0.000 0.239 235 D C 1.272 177.600 176.300 0.047 0.000 1.136 235 D CA 0.473 54.495 54.000 0.037 0.000 0.879 235 D CB 0.992 41.814 40.800 0.038 0.000 1.195 235 D HN 0.173 nan 8.370 nan 0.000 0.443 236 G N 0.890 109.713 108.800 0.037 0.000 2.708 236 G HA2 -0.185 3.775 3.960 0.000 0.000 0.210 236 G HA3 -0.185 3.775 3.960 0.000 0.000 0.210 236 G C 1.391 176.322 174.900 0.053 0.000 1.141 236 G CA 0.966 46.088 45.100 0.037 0.000 0.788 236 G HN 0.723 nan 8.290 nan 0.000 0.531 237 T N -1.285 113.311 114.554 0.070 0.000 2.607 237 T HA -0.330 4.020 4.350 0.000 0.000 0.267 237 T C 2.101 176.882 174.700 0.135 0.000 1.049 237 T CA 1.701 63.852 62.100 0.085 0.000 1.162 237 T CB -0.584 68.330 68.868 0.078 0.000 0.863 237 T HN 0.286 nan 8.240 nan 0.000 0.424 238 H N 0.620 119.713 119.070 0.038 0.000 2.423 238 H HA 0.159 4.715 4.556 0.000 0.000 0.297 238 H C 2.190 177.539 175.328 0.035 0.000 1.075 238 H CA 1.714 57.792 56.048 0.050 0.000 1.342 238 H CB -0.609 29.197 29.762 0.073 0.000 1.395 238 H HN 0.383 nan 8.280 nan 0.000 0.530 239 M N 0.075 119.684 119.600 0.014 0.000 2.117 239 M HA -0.056 4.424 4.480 0.000 0.000 0.262 239 M C 2.369 178.639 176.300 -0.051 0.000 1.065 239 M CA 1.843 57.110 55.300 -0.055 0.000 1.114 239 M CB -0.648 31.944 32.600 -0.012 0.000 1.361 239 M HN 0.295 nan 8.290 nan 0.000 0.408 240 A N -0.848 121.968 122.820 -0.007 0.000 1.898 240 A HA -0.155 4.165 4.320 0.000 0.000 0.216 240 A C 1.967 179.541 177.584 -0.018 0.000 1.181 240 A CA 1.902 53.935 52.037 -0.006 0.000 0.620 240 A CB -0.873 18.136 19.000 0.014 0.000 0.819 240 A HN 0.511 nan 8.150 nan 0.000 0.442 241 E N -0.562 119.644 120.200 0.010 0.000 2.095 241 E HA -0.219 4.132 4.350 0.000 0.000 0.212 241 E C 2.070 178.615 176.600 -0.091 0.000 1.044 241 E CA 1.869 58.278 56.400 0.016 0.000 0.857 241 E CB -0.648 29.140 29.700 0.146 0.000 0.764 241 E HN 0.533 nan 8.360 nan 0.000 0.462 242 V N -0.272 119.516 119.914 -0.211 0.000 2.591 242 V HA -0.094 4.026 4.120 0.000 0.000 0.249 242 V C 1.911 177.800 176.094 -0.342 0.000 1.053 242 V CA 1.225 63.247 62.300 -0.463 0.000 1.068 242 V CB -0.239 31.153 31.823 -0.719 0.000 0.689 242 V HN 0.288 nan 8.190 nan 0.000 0.462 243 L N 0.756 121.883 121.223 -0.162 0.000 2.275 243 L HA -0.063 4.277 4.340 0.000 0.000 0.215 243 L C 2.498 179.324 176.870 -0.074 0.000 1.119 243 L CA 1.914 56.707 54.840 -0.079 0.000 0.790 243 L CB -0.470 41.575 42.059 -0.024 0.000 0.919 243 L HN 0.515 nan 8.230 nan 0.000 0.443 244 K N -0.997 119.358 120.400 -0.075 0.000 2.372 244 K HA 0.033 4.353 4.320 0.000 0.000 0.200 244 K C 1.492 178.054 176.600 -0.063 0.000 1.022 244 K CA 0.087 56.347 56.287 -0.045 0.000 1.125 244 K CB 0.386 32.876 32.500 -0.017 0.000 0.855 244 K HN 0.219 nan 8.250 nan 0.000 0.524 245 Q N 1.065 120.789 119.800 -0.126 0.000 2.378 245 Q HA 0.074 4.414 4.340 0.000 0.000 0.229 245 Q C 0.234 176.140 176.000 -0.156 0.000 0.882 245 Q CA -0.023 55.698 55.803 -0.136 0.000 0.936 245 Q CB 1.213 29.835 28.738 -0.193 0.000 1.092 245 Q HN 0.319 nan 8.270 nan 0.000 0.535 246 V N -0.732 119.065 119.914 -0.196 0.000 2.815 246 V HA 0.542 4.662 4.120 0.000 0.000 0.314 246 V C -0.652 175.371 176.094 -0.119 0.000 1.064 246 V CA -1.261 60.941 62.300 -0.164 0.000 0.952 246 V CB 1.804 33.481 31.823 -0.243 0.000 1.020 246 V HN 0.049 nan 8.190 nan 0.000 0.439 247 N N 3.572 122.220 118.700 -0.086 0.000 2.408 247 N HA 0.293 5.033 4.740 0.000 0.000 0.257 247 N C 0.655 176.086 175.510 -0.132 0.000 1.064 247 N CA -0.553 52.440 53.050 -0.095 0.000 0.952 247 N CB 1.067 39.542 38.487 -0.021 0.000 1.093 247 N HN 0.765 nan 8.380 nan 0.000 0.490 248 L N 2.827 123.879 121.223 -0.286 0.000 2.217 248 L HA -0.009 4.331 4.340 0.000 0.000 0.211 248 L C 1.478 178.262 176.870 -0.143 0.000 1.107 248 L CA 1.081 55.763 54.840 -0.263 0.000 0.783 248 L CB -0.613 41.153 42.059 -0.490 0.000 0.919 248 L HN 0.670 nan 8.230 nan 0.000 0.442 249 E N 0.401 120.527 120.200 -0.124 0.000 2.333 249 E HA -0.177 4.173 4.350 0.000 0.000 0.198 249 E C 0.511 177.263 176.600 0.254 0.000 1.007 249 E CA 0.701 57.180 56.400 0.131 0.000 0.845 249 E CB 0.129 29.902 29.700 0.123 0.000 0.766 249 E HN 0.581 nan 8.360 nan 0.000 0.507 250 E N 0.301 120.593 120.200 0.153 0.000 2.789 250 E HA 0.062 4.412 4.350 0.000 0.000 0.208 250 E C -0.311 176.308 176.600 0.032 0.000 0.988 250 E CA -0.104 56.369 56.400 0.122 0.000 1.092 250 E CB 1.037 30.860 29.700 0.204 0.000 1.066 250 E HN 0.008 nan 8.360 nan 0.000 0.465 251 T N -1.930 112.647 114.554 0.039 0.000 2.903 251 T HA 0.663 5.013 4.350 0.000 0.000 0.299 251 T C -0.553 174.025 174.700 -0.203 0.000 1.093 251 T CA -0.694 61.313 62.100 -0.155 0.000 1.002 251 T CB 1.573 70.250 68.868 -0.318 0.000 1.127 251 T HN 0.010 nan 8.240 nan 0.000 0.488 252 I N 1.965 122.295 120.570 -0.399 0.000 2.569 252 I HA 0.555 4.725 4.170 0.000 0.000 0.296 252 I C -1.110 174.645 176.117 -0.603 0.000 1.028 252 I CA -1.196 59.885 61.300 -0.364 0.000 1.082 252 I CB 1.963 39.776 38.000 -0.311 0.000 1.264 252 I HN 0.617 nan 8.210 nan 0.000 0.429 253 F N 5.539 125.266 119.950 -0.371 0.000 2.458 253 F HA 0.528 5.055 4.527 0.000 0.000 0.336 253 F C 0.059 175.771 175.800 -0.147 0.000 1.114 253 F CA -0.546 57.235 58.000 -0.365 0.000 0.987 253 F CB 1.395 39.971 39.000 -0.707 0.000 1.130 253 F HN 0.093 nan 8.300 nan 0.000 0.458 254 I N 4.963 125.582 120.570 0.082 0.000 2.321 254 I HA 0.352 4.522 4.170 0.000 0.000 0.291 254 I C -0.559 175.646 176.117 0.147 0.000 0.998 254 I CA -0.430 60.925 61.300 0.093 0.000 1.227 254 I CB 1.138 39.142 38.000 0.007 0.000 1.368 254 I HN 0.423 nan 8.210 nan 0.000 0.466 255 I N 6.105 126.790 120.570 0.191 0.000 2.330 255 I HA 0.396 4.566 4.170 0.000 0.000 0.289 255 I C 0.355 176.566 176.117 0.157 0.000 1.001 255 I CA -0.332 61.060 61.300 0.152 0.000 1.193 255 I CB 1.559 39.636 38.000 0.128 0.000 1.345 255 I HN 0.609 nan 8.210 nan 0.000 0.461 256 A N 4.966 127.845 122.820 0.098 0.000 2.736 256 A HA 0.628 4.948 4.320 0.000 0.000 0.335 256 A C -0.101 177.554 177.584 0.119 0.000 1.446 256 A CA -0.231 51.870 52.037 0.108 0.000 1.028 256 A CB 0.376 19.402 19.000 0.044 0.000 1.154 256 A HN 0.582 nan 8.150 nan 0.000 0.507 257 S N 1.552 117.368 115.700 0.194 0.000 2.603 257 S HA 0.358 4.828 4.470 0.000 0.000 0.274 257 S C 0.487 175.196 174.600 0.183 0.000 1.168 257 S CA -0.539 57.754 58.200 0.154 0.000 0.963 257 S CB 1.400 64.605 63.200 0.008 0.000 1.078 257 S HN 0.659 nan 8.310 nan 0.000 0.477 258 K N 2.340 122.796 120.400 0.093 0.000 2.076 258 K HA 0.011 4.331 4.320 0.000 0.000 0.204 258 K C 1.385 177.946 176.600 -0.066 0.000 1.051 258 K CA 1.746 57.964 56.287 -0.115 0.000 0.949 258 K CB -0.211 32.138 32.500 -0.252 0.000 0.726 258 K HN 0.679 nan 8.250 nan 0.000 0.443 259 T N -0.047 114.509 114.554 0.004 0.000 3.014 259 T HA -0.016 4.334 4.350 0.000 0.000 0.263 259 T C 0.236 175.021 174.700 0.141 0.000 1.078 259 T CA 0.563 62.684 62.100 0.035 0.000 1.135 259 T CB -0.214 68.668 68.868 0.023 0.000 0.895 259 T HN 0.388 nan 8.240 nan 0.000 0.480 260 F N 1.853 121.764 119.950 -0.064 0.000 3.071 260 F HA -0.300 4.227 4.527 0.000 0.000 0.295 260 F C 0.711 176.481 175.800 -0.049 0.000 0.919 260 F CA 0.896 58.849 58.000 -0.079 0.000 1.050 260 F CB -1.564 37.376 39.000 -0.100 0.000 1.040 260 F HN 0.288 nan 8.300 nan 0.000 0.692 261 T N -4.416 110.109 114.554 -0.049 0.000 3.080 261 T HA 0.130 4.480 4.350 0.000 0.000 0.280 261 T C 0.519 175.175 174.700 -0.072 0.000 0.926 261 T CA 0.475 62.541 62.100 -0.055 0.000 0.883 261 T CB 0.268 69.142 68.868 0.010 0.000 1.194 261 T HN 0.167 nan 8.240 nan 0.000 0.541 262 T N 3.904 118.411 114.554 -0.079 0.000 2.778 262 T HA 0.022 4.372 4.350 0.000 0.000 0.282 262 T C 1.361 176.025 174.700 -0.061 0.000 0.983 262 T CA 0.081 62.150 62.100 -0.052 0.000 1.193 262 T CB 0.725 69.571 68.868 -0.038 0.000 0.938 262 T HN 0.177 nan 8.240 nan 0.000 0.523 263 Q N 2.968 122.747 119.800 -0.034 0.000 2.061 263 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 263 Q C 2.014 177.997 176.000 -0.028 0.000 0.984 263 Q CA 1.848 57.634 55.803 -0.028 0.000 0.846 263 Q CB 0.003 28.734 28.738 -0.012 0.000 0.902 263 Q HN 0.708 nan 8.270 nan 0.000 0.421 264 E N -0.302 119.886 120.200 -0.020 0.000 2.001 264 E HA -0.124 4.226 4.350 0.000 0.000 0.195 264 E C 2.143 178.731 176.600 -0.020 0.000 1.002 264 E CA 1.826 58.218 56.400 -0.012 0.000 0.819 264 E CB -0.674 29.024 29.700 -0.002 0.000 0.769 264 E HN 0.239 nan 8.360 nan 0.000 0.454 265 T N 1.465 116.002 114.554 -0.029 0.000 2.685 265 T HA -0.164 4.186 4.350 0.000 0.000 0.268 265 T C 1.589 176.240 174.700 -0.081 0.000 1.034 265 T CA 0.932 63.007 62.100 -0.042 0.000 1.149 265 T CB -0.210 68.628 68.868 -0.050 0.000 0.860 265 T HN 0.010 nan 8.240 nan 0.000 0.449 266 L N 0.738 121.885 121.223 -0.126 0.000 2.275 266 L HA -0.045 4.295 4.340 0.000 0.000 0.215 266 L C 2.619 179.465 176.870 -0.041 0.000 1.119 266 L CA 1.465 56.208 54.840 -0.162 0.000 0.790 266 L CB -1.453 40.478 42.059 -0.214 0.000 0.919 266 L HN 0.339 nan 8.230 nan 0.000 0.443 267 T N -0.159 114.378 114.554 -0.028 0.000 2.701 267 T HA -0.141 4.209 4.350 0.000 0.000 0.263 267 T C 1.665 176.366 174.700 0.002 0.000 1.040 267 T CA 1.457 63.552 62.100 -0.007 0.000 1.147 267 T CB -0.054 68.810 68.868 -0.007 0.000 0.865 267 T HN 0.446 nan 8.240 nan 0.000 0.426 268 N N 0.754 119.455 118.700 0.001 0.000 2.289 268 N HA -0.040 4.700 4.740 0.000 0.000 0.184 268 N C 2.083 177.599 175.510 0.010 0.000 1.016 268 N CA 0.786 53.840 53.050 0.007 0.000 0.872 268 N CB -0.079 38.419 38.487 0.018 0.000 0.973 268 N HN 0.321 nan 8.380 nan 0.000 0.433 269 A N 1.217 124.058 122.820 0.035 0.000 1.930 269 A HA -0.044 4.276 4.320 0.000 0.000 0.217 269 A C 2.144 179.834 177.584 0.176 0.000 1.175 269 A CA 0.961 53.072 52.037 0.124 0.000 0.627 269 A CB -0.149 18.890 19.000 0.066 0.000 0.815 269 A HN 0.139 nan 8.150 nan 0.000 0.443 270 M N -0.118 119.547 119.600 0.108 0.000 2.394 270 M HA -0.023 4.457 4.480 0.000 0.000 0.264 270 M C 2.167 178.448 176.300 -0.031 0.000 1.073 270 M CA 1.000 56.310 55.300 0.017 0.000 1.111 270 M CB -1.157 31.441 32.600 -0.003 0.000 1.401 270 M HN 0.409 nan 8.290 nan 0.000 0.448 271 S N 1.133 116.819 115.700 -0.023 0.000 2.359 271 S HA -0.104 4.366 4.470 0.000 0.000 0.224 271 S C 2.071 176.625 174.600 -0.077 0.000 1.035 271 S CA 1.517 59.692 58.200 -0.042 0.000 1.018 271 S CB -0.222 62.958 63.200 -0.034 0.000 0.876 271 S HN 0.579 nan 8.310 nan 0.000 0.448 272 A N 1.695 124.428 122.820 -0.144 0.000 1.873 272 A HA -0.060 4.260 4.320 0.000 0.000 0.215 272 A C 2.116 179.665 177.584 -0.058 0.000 1.186 272 A CA 1.178 53.007 52.037 -0.346 0.000 0.616 272 A CB -0.538 17.812 19.000 -1.083 0.000 0.823 272 A HN 0.340 nan 8.150 nan 0.000 0.442 273 R N -0.225 120.313 120.500 0.063 0.000 2.096 273 R HA -0.140 4.200 4.340 0.000 0.000 0.235 273 R C 1.497 177.743 176.300 -0.089 0.000 1.127 273 R CA 1.661 57.696 56.100 -0.108 0.000 0.968 273 R CB -0.352 29.629 30.300 -0.531 0.000 0.861 273 R HN 0.514 nan 8.270 nan 0.000 0.440 274 N N 0.362 119.014 118.700 -0.081 0.000 2.216 274 N HA -0.075 4.665 4.740 0.000 0.000 0.183 274 N C 1.549 177.051 175.510 -0.014 0.000 1.017 274 N CA 1.271 54.287 53.050 -0.057 0.000 0.861 274 N CB -0.234 38.221 38.487 -0.054 0.000 0.986 274 N HN 0.236 nan 8.380 nan 0.000 0.428 275 A N 1.098 123.915 122.820 -0.005 0.000 1.873 275 A HA -0.072 4.248 4.320 0.000 0.000 0.215 275 A C 2.190 179.816 177.584 0.069 0.000 1.186 275 A CA 0.884 52.938 52.037 0.029 0.000 0.616 275 A CB -0.807 18.199 19.000 0.010 0.000 0.823 275 A HN 0.217 nan 8.150 nan 0.000 0.442 276 L N -0.696 120.565 121.223 0.063 0.000 2.013 276 L HA -0.208 4.132 4.340 0.000 0.000 0.212 276 L C 2.376 179.304 176.870 0.096 0.000 1.073 276 L CA 2.202 57.092 54.840 0.084 0.000 0.753 276 L CB -0.505 41.650 42.059 0.159 0.000 0.890 276 L HN 0.326 nan 8.230 nan 0.000 0.432 277 M N -1.356 118.274 119.600 0.050 0.000 2.175 277 M HA -0.132 4.348 4.480 0.000 0.000 0.264 277 M C 2.568 178.893 176.300 0.042 0.000 1.063 277 M CA 1.788 57.104 55.300 0.028 0.000 1.119 277 M CB -1.469 31.116 32.600 -0.025 0.000 1.377 277 M HN 0.562 nan 8.290 nan 0.000 0.415 278 S N -0.253 115.477 115.700 0.051 0.000 2.368 278 S HA -0.189 4.281 4.470 0.000 0.000 0.224 278 S C 2.051 176.687 174.600 0.060 0.000 1.029 278 S CA 0.964 59.190 58.200 0.043 0.000 0.988 278 S CB -0.509 62.715 63.200 0.041 0.000 0.838 278 S HN 0.488 nan 8.310 nan 0.000 0.462 279 Y N 1.402 121.696 120.300 -0.010 0.000 2.128 279 Y HA -0.101 4.449 4.550 0.000 0.000 0.284 279 Y C 1.922 177.818 175.900 -0.008 0.000 1.154 279 Y CA 1.729 59.825 58.100 -0.007 0.000 1.149 279 Y CB -0.419 38.039 38.460 -0.004 0.000 0.976 279 Y HN 0.256 nan 8.280 nan 0.000 0.505 280 L N 0.920 122.236 121.223 0.156 0.000 2.042 280 L HA -0.217 4.123 4.340 0.000 0.000 0.210 280 L C 2.449 179.303 176.870 -0.028 0.000 1.076 280 L CA 1.850 56.730 54.840 0.066 0.000 0.749 280 L CB -1.285 40.828 42.059 0.090 0.000 0.893 280 L HN 0.207 nan 8.230 nan 0.000 0.432 281 K N -0.318 120.070 120.400 -0.021 0.000 2.025 281 K HA -0.164 4.156 4.320 0.000 0.000 0.207 281 K C 1.993 178.558 176.600 -0.059 0.000 1.049 281 K CA 1.356 57.624 56.287 -0.031 0.000 0.933 281 K CB 0.023 32.512 32.500 -0.018 0.000 0.714 281 K HN 0.347 nan 8.250 nan 0.000 0.438 282 E N 0.083 120.230 120.200 -0.088 0.000 2.153 282 E HA -0.133 4.217 4.350 0.000 0.000 0.194 282 E C 1.096 177.618 176.600 -0.131 0.000 0.988 282 E CA 0.786 57.122 56.400 -0.107 0.000 0.811 282 E CB 0.034 29.654 29.700 -0.133 0.000 0.746 282 E HN 0.333 nan 8.360 nan 0.000 0.466 283 N N -0.339 118.251 118.700 -0.183 0.000 2.268 283 N HA 0.029 4.769 4.740 0.000 0.000 0.204 283 N C 0.568 176.023 175.510 -0.093 0.000 1.124 283 N CA 0.674 53.621 53.050 -0.172 0.000 0.838 283 N CB 1.430 39.744 38.487 -0.289 0.000 0.994 283 N HN 0.194 nan 8.380 nan 0.000 0.489 284 G N 1.574 110.334 108.800 -0.066 0.000 2.176 284 G HA2 -0.269 3.691 3.960 0.000 0.000 0.252 284 G HA3 -0.269 3.691 3.960 0.000 0.000 0.252 284 G C -0.038 174.852 174.900 -0.018 0.000 1.024 284 G CA -0.007 45.072 45.100 -0.035 0.000 0.755 284 G HN 0.335 nan 8.290 nan 0.000 0.507 285 I N 1.433 121.995 120.570 -0.013 0.000 2.359 285 I HA 0.439 4.609 4.170 0.000 0.000 0.294 285 I C 1.133 177.263 176.117 0.022 0.000 0.987 285 I CA -0.470 60.839 61.300 0.016 0.000 1.225 285 I CB 1.760 39.786 38.000 0.043 0.000 1.366 285 I HN 0.307 nan 8.210 nan 0.000 0.466 286 S N 2.652 118.367 115.700 0.025 0.000 2.579 286 S HA 0.081 4.551 4.470 0.000 0.000 0.275 286 S C 1.014 175.635 174.600 0.034 0.000 1.345 286 S CA -0.051 58.162 58.200 0.022 0.000 1.031 286 S CB 1.045 64.256 63.200 0.018 0.000 0.892 286 S HN 0.797 nan 8.310 nan 0.000 0.529 287 T N -1.675 112.894 114.554 0.026 0.000 3.107 287 T HA 0.136 4.486 4.350 0.000 0.000 0.249 287 T C 0.119 174.839 174.700 0.033 0.000 1.096 287 T CA 0.130 62.248 62.100 0.031 0.000 1.012 287 T CB -0.651 68.224 68.868 0.011 0.000 0.977 287 T HN 0.737 nan 8.240 nan 0.000 0.527 288 D N 1.384 121.801 120.400 0.028 0.000 2.363 288 D HA 0.398 5.038 4.640 0.000 0.000 0.263 288 D C 1.488 177.809 176.300 0.034 0.000 1.258 288 D CA 1.239 55.252 54.000 0.022 0.000 0.907 288 D CB -0.439 40.370 40.800 0.014 0.000 1.107 288 D HN 0.324 nan 8.370 nan 0.000 0.495 289 G N 2.893 111.715 108.800 0.036 0.000 2.184 289 G HA2 -0.355 3.605 3.960 0.000 0.000 0.264 289 G HA3 -0.355 3.605 3.960 0.000 0.000 0.264 289 G C 1.144 176.103 174.900 0.099 0.000 0.975 289 G CA 0.594 45.723 45.100 0.048 0.000 0.642 289 G HN 0.817 nan 8.290 nan 0.000 0.536 290 A N -0.413 122.479 122.820 0.120 0.000 1.898 290 A HA 0.324 4.644 4.320 0.000 0.000 0.216 290 A C 2.547 180.328 177.584 0.327 0.000 1.181 290 A CA 2.363 54.526 52.037 0.209 0.000 0.620 290 A CB -0.396 18.694 19.000 0.149 0.000 0.819 290 A HN 1.054 nan 8.150 nan 0.000 0.442 291 V N 0.005 120.062 119.914 0.238 0.000 2.407 291 V HA -0.247 3.873 4.120 0.000 0.000 0.248 291 V C 2.993 179.359 176.094 0.454 0.000 1.055 291 V CA 1.751 64.250 62.300 0.332 0.000 1.049 291 V CB -1.070 30.770 31.823 0.029 0.000 0.662 291 V HN 0.604 nan 8.190 nan 0.000 0.455 292 A N -0.522 122.475 122.820 0.294 0.000 2.076 292 A HA -0.229 4.091 4.320 0.000 0.000 0.220 292 A C 2.200 179.976 177.584 0.320 0.000 1.160 292 A CA 1.797 53.996 52.037 0.269 0.000 0.653 292 A CB -0.333 18.744 19.000 0.129 0.000 0.801 292 A HN 0.593 nan 8.150 nan 0.000 0.455 293 K N -1.730 118.862 120.400 0.320 0.000 2.361 293 K HA 0.111 4.431 4.320 0.000 0.000 0.194 293 K C 0.659 177.458 176.600 0.332 0.000 1.032 293 K CA 0.443 56.864 56.287 0.224 0.000 1.048 293 K CB 0.168 32.662 32.500 -0.011 0.000 0.842 293 K HN 0.598 nan 8.250 nan 0.000 0.526 294 H N -1.270 118.133 119.070 0.555 0.000 3.058 294 H HA 0.207 4.763 4.556 0.000 0.000 0.266 294 H C -0.780 174.716 175.328 0.279 0.000 1.135 294 H CA 0.074 56.373 56.048 0.419 0.000 1.174 294 H CB 0.620 30.612 29.762 0.383 0.000 1.581 294 H HN -0.053 nan 8.280 nan 0.000 0.553 295 F N 1.323 121.565 119.950 0.486 0.000 2.574 295 F HA 0.327 4.854 4.527 0.000 0.000 0.313 295 F C -0.097 175.893 175.800 0.316 0.000 1.130 295 F CA -1.168 57.083 58.000 0.418 0.000 0.936 295 F CB 2.030 41.306 39.000 0.459 0.000 1.219 295 F HN -0.221 nan 8.300 nan 0.000 0.445 296 V N 0.176 120.318 119.914 0.381 0.000 3.001 296 V HA 1.020 5.140 4.120 0.000 0.000 0.314 296 V C -0.991 175.236 176.094 0.222 0.000 1.099 296 V CA -1.062 61.375 62.300 0.228 0.000 0.989 296 V CB 1.595 33.458 31.823 0.067 0.000 1.040 296 V HN 0.997 nan 8.190 nan 0.000 0.434 297 A N 3.434 126.331 122.820 0.129 0.000 2.342 297 A HA 0.856 5.176 4.320 0.000 0.000 0.323 297 A C -0.591 177.098 177.584 0.175 0.000 1.125 297 A CA -0.787 51.318 52.037 0.114 0.000 0.785 297 A CB 1.092 19.967 19.000 -0.209 0.000 1.221 297 A HN 1.070 nan 8.150 nan 0.000 0.463 298 L N 2.484 123.837 121.223 0.215 0.000 2.314 298 L HA 0.613 4.953 4.340 0.000 0.000 0.275 298 L C 0.219 177.286 176.870 0.328 0.000 1.068 298 L CA -0.109 54.894 54.840 0.270 0.000 0.894 298 L CB 0.227 42.401 42.059 0.192 0.000 1.275 298 L HN 0.658 nan 8.230 nan 0.000 0.432 299 S N 0.112 115.869 115.700 0.096 0.000 2.595 299 S HA 0.430 4.900 4.470 0.000 0.000 0.270 299 S C 0.458 174.885 174.600 -0.289 0.000 1.145 299 S CA 0.081 58.215 58.200 -0.109 0.000 0.825 299 S CB 1.753 64.927 63.200 -0.043 0.000 1.107 299 S HN 0.631 nan 8.310 nan 0.000 0.461 300 T N -0.402 113.963 114.554 -0.315 0.000 2.990 300 T HA 0.251 4.601 4.350 0.000 0.000 0.250 300 T C 0.564 175.163 174.700 -0.168 0.000 1.041 300 T CA 0.018 61.961 62.100 -0.262 0.000 1.010 300 T CB -0.352 68.347 68.868 -0.282 0.000 1.003 300 T HN 0.395 nan 8.240 nan 0.000 0.499 301 N N 2.623 121.238 118.700 -0.141 0.000 2.819 301 N HA 0.142 4.882 4.740 0.000 0.000 0.284 301 N C 0.911 176.336 175.510 -0.142 0.000 1.196 301 N CA 0.094 53.089 53.050 -0.092 0.000 1.114 301 N CB 0.086 38.565 38.487 -0.012 0.000 1.437 301 N HN 0.234 nan 8.380 nan 0.000 0.518 302 T N 0.972 115.447 114.554 -0.131 0.000 2.624 302 T HA -0.241 4.109 4.350 0.000 0.000 0.268 302 T C 1.415 176.043 174.700 -0.119 0.000 1.041 302 T CA 1.680 63.697 62.100 -0.138 0.000 1.159 302 T CB -0.067 68.746 68.868 -0.092 0.000 0.863 302 T HN 0.491 nan 8.240 nan 0.000 0.434 303 E N 0.623 120.782 120.200 -0.069 0.000 2.152 303 E HA -0.035 4.315 4.350 0.000 0.000 0.192 303 E C 2.037 178.628 176.600 -0.015 0.000 0.983 303 E CA 0.986 57.364 56.400 -0.037 0.000 0.818 303 E CB -0.109 29.582 29.700 -0.015 0.000 0.758 303 E HN 0.198 nan 8.360 nan 0.000 0.467 304 K N -0.622 119.776 120.400 -0.002 0.000 2.228 304 K HA 0.056 4.376 4.320 0.000 0.000 0.202 304 K C 1.692 178.344 176.600 0.086 0.000 1.051 304 K CA 0.734 57.079 56.287 0.096 0.000 0.960 304 K CB -0.182 32.414 32.500 0.160 0.000 0.743 304 K HN 0.066 nan 8.250 nan 0.000 0.458 305 V N 0.542 120.274 119.914 -0.303 0.000 2.548 305 V HA -0.063 4.057 4.120 0.000 0.000 0.249 305 V C 2.460 178.425 176.094 -0.215 0.000 1.055 305 V CA 1.517 63.362 62.300 -0.759 0.000 1.065 305 V CB -0.389 30.865 31.823 -0.948 0.000 0.681 305 V HN 0.322 nan 8.190 nan 0.000 0.462 306 R N -0.044 120.389 120.500 -0.112 0.000 2.115 306 R HA -0.126 4.214 4.340 0.000 0.000 0.226 306 R C 2.178 178.501 176.300 0.038 0.000 1.100 306 R CA 1.404 57.487 56.100 -0.028 0.000 0.980 306 R CB -0.002 30.273 30.300 -0.042 0.000 0.875 306 R HN 0.587 nan 8.270 nan 0.000 0.445 307 E N -0.704 119.539 120.200 0.071 0.000 2.152 307 E HA -0.170 4.180 4.350 0.000 0.000 0.192 307 E C 1.413 178.086 176.600 0.121 0.000 0.983 307 E CA 0.866 57.317 56.400 0.085 0.000 0.818 307 E CB -0.062 29.694 29.700 0.095 0.000 0.758 307 E HN 0.242 nan 8.360 nan 0.000 0.467 308 F N -0.200 119.784 119.950 0.057 0.000 2.604 308 F HA 0.003 4.530 4.527 0.000 0.000 0.298 308 F C 1.443 177.235 175.800 -0.014 0.000 1.131 308 F CA 1.347 59.391 58.000 0.074 0.000 1.457 308 F CB 0.445 39.635 39.000 0.316 0.000 1.095 308 F HN 0.106 nan 8.300 nan 0.000 0.574 309 G N 0.491 109.372 108.800 0.134 0.000 2.184 309 G HA2 -0.232 3.728 3.960 0.000 0.000 0.206 309 G HA3 -0.232 3.728 3.960 0.000 0.000 0.206 309 G C 0.291 175.277 174.900 0.143 0.000 0.995 309 G CA -0.023 45.113 45.100 0.060 0.000 0.651 309 G HN 0.260 nan 8.290 nan 0.000 0.511 310 I N 1.734 122.423 120.570 0.199 0.000 2.474 310 I HA 0.257 4.427 4.170 0.000 0.000 0.287 310 I C 0.181 176.337 176.117 0.064 0.000 1.048 310 I CA -0.605 60.797 61.300 0.170 0.000 1.383 310 I CB 0.900 38.980 38.000 0.133 0.000 1.412 310 I HN -0.018 nan 8.210 nan 0.000 0.531 311 D N 4.478 124.925 120.400 0.078 0.000 2.358 311 D HA -0.010 4.630 4.640 0.000 0.000 0.258 311 D C 1.357 177.626 176.300 -0.052 0.000 1.223 311 D CA 0.015 54.027 54.000 0.020 0.000 0.886 311 D CB 1.165 41.992 40.800 0.045 0.000 1.120 311 D HN 0.688 nan 8.370 nan 0.000 0.482 312 T N 0.213 114.715 114.554 -0.088 0.000 2.977 312 T HA -0.141 4.209 4.350 0.000 0.000 0.271 312 T C 1.958 176.548 174.700 -0.184 0.000 1.105 312 T CA 0.399 62.408 62.100 -0.152 0.000 1.116 312 T CB -0.149 68.644 68.868 -0.125 0.000 0.878 312 T HN 0.236 nan 8.240 nan 0.000 0.509 313 V N 2.325 122.162 119.914 -0.129 0.000 2.828 313 V HA -0.084 4.036 4.120 0.000 0.000 0.260 313 V C 1.244 177.176 176.094 -0.269 0.000 1.101 313 V CA 1.452 63.672 62.300 -0.134 0.000 1.123 313 V CB -0.657 31.143 31.823 -0.038 0.000 0.704 313 V HN 0.578 nan 8.190 nan 0.000 0.493 314 N N -0.098 118.416 118.700 -0.310 0.000 2.273 314 N HA 0.206 4.947 4.740 0.000 0.000 0.231 314 N C 0.049 175.047 175.510 -0.853 0.000 1.134 314 N CA 0.028 52.730 53.050 -0.580 0.000 0.856 314 N CB 0.663 39.091 38.487 -0.099 0.000 1.068 314 N HN 0.440 nan 8.380 nan 0.000 0.510 315 M N 0.972 120.135 119.600 -0.728 0.000 2.061 315 M HA 0.334 4.814 4.480 0.000 0.000 0.346 315 M C -1.415 174.521 176.300 -0.608 0.000 1.112 315 M CA -0.534 54.448 55.300 -0.531 0.000 1.021 315 M CB 0.273 32.665 32.600 -0.346 0.000 1.530 315 M HN -0.165 nan 8.290 nan 0.000 0.437 316 F N 4.029 123.903 119.950 -0.127 0.000 2.385 316 F HA 0.584 5.111 4.527 0.000 0.000 0.360 316 F C 0.595 176.348 175.800 -0.079 0.000 1.122 316 F CA -0.627 57.319 58.000 -0.090 0.000 1.090 316 F CB 0.934 39.874 39.000 -0.100 0.000 1.150 316 F HN 0.603 nan 8.300 nan 0.000 0.472 317 A N 4.237 127.035 122.820 -0.037 0.000 2.286 317 A HA 0.866 5.186 4.320 0.000 0.000 0.286 317 A C -0.813 176.401 177.584 -0.615 0.000 1.097 317 A CA -0.291 51.550 52.037 -0.327 0.000 0.821 317 A CB 0.509 19.308 19.000 -0.336 0.000 1.076 317 A HN 0.723 nan 8.150 nan 0.000 0.490 318 F N -2.197 117.065 119.950 -1.147 0.000 2.754 318 F HA 0.871 5.398 4.527 0.000 0.000 0.320 318 F C -1.356 173.482 175.800 -1.604 0.000 1.156 318 F CA -1.814 55.189 58.000 -1.661 0.000 0.950 318 F CB 0.962 39.568 39.000 -0.657 0.000 1.388 318 F HN 0.560 nan 8.300 nan 0.000 0.485 319 W N 0.561 121.611 121.300 -0.417 0.000 2.902 319 W HA 0.296 4.956 4.660 0.000 0.000 0.346 319 W C 0.031 176.210 176.519 -0.567 0.000 1.139 319 W CA -0.408 56.492 57.345 -0.741 0.000 1.139 319 W CB 1.273 29.899 29.460 -1.389 0.000 1.439 319 W HN 0.540 nan 8.180 nan 0.000 0.558 320 D N 0.503 120.749 120.400 -0.256 0.000 2.263 320 D HA -0.116 4.524 4.640 0.000 0.000 0.208 320 D C 1.837 178.171 176.300 0.057 0.000 0.971 320 D CA 1.331 55.294 54.000 -0.062 0.000 0.867 320 D CB 0.041 40.850 40.800 0.015 0.000 0.929 320 D HN 0.462 nan 8.370 nan 0.000 0.492 321 W N 0.807 122.242 121.300 0.225 0.000 3.292 321 W HA 0.207 4.867 4.660 0.000 0.000 0.263 321 W C -0.306 176.341 176.519 0.213 0.000 1.318 321 W CA -0.201 57.243 57.345 0.166 0.000 1.663 321 W CB -0.480 29.037 29.460 0.095 0.000 1.114 321 W HN -0.298 nan 8.180 nan 0.000 0.706 322 V N 2.704 122.794 119.914 0.295 0.000 2.304 322 V HA 0.427 4.547 4.120 0.000 0.000 0.269 322 V C 1.031 177.308 176.094 0.306 0.000 1.036 322 V CA -0.582 61.939 62.300 0.368 0.000 0.840 322 V CB 0.150 32.158 31.823 0.308 0.000 1.036 322 V HN 0.131 nan 8.190 nan 0.000 0.466 323 G N 3.121 112.127 108.800 0.343 0.000 2.527 323 G HA2 0.402 4.362 3.960 0.000 0.000 0.248 323 G HA3 0.402 4.362 3.960 0.000 0.000 0.248 323 G C 1.124 176.181 174.900 0.262 0.000 1.231 323 G CA 0.163 45.454 45.100 0.318 0.000 0.838 323 G HN 0.817 nan 8.290 nan 0.000 0.570 324 G N 1.072 109.958 108.800 0.144 0.000 2.476 324 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 324 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 324 G C 1.652 176.544 174.900 -0.014 0.000 1.164 324 G CA 0.944 46.069 45.100 0.042 0.000 0.768 324 G HN 0.768 nan 8.290 nan 0.000 0.560 325 R N -0.781 119.679 120.500 -0.067 0.000 2.323 325 R HA 0.127 4.467 4.340 0.000 0.000 0.198 325 R C 0.335 176.343 176.300 -0.487 0.000 0.988 325 R CA 0.536 56.444 56.100 -0.320 0.000 1.041 325 R CB -0.281 29.756 30.300 -0.438 0.000 0.926 325 R HN 0.474 nan 8.270 nan 0.000 0.476 326 Y N 0.481 120.794 120.300 0.021 0.000 2.715 326 Y HA 0.198 4.748 4.550 0.000 0.000 0.255 326 Y C 1.208 177.255 175.900 0.244 0.000 1.139 326 Y CA -0.388 57.764 58.100 0.087 0.000 1.151 326 Y CB 1.205 39.587 38.460 -0.130 0.000 1.201 326 Y HN 0.174 nan 8.280 nan 0.000 0.556 327 S N -2.098 113.719 115.700 0.195 0.000 2.524 327 S HA -0.026 4.444 4.470 0.000 0.000 0.215 327 S C 1.540 176.164 174.600 0.041 0.000 0.986 327 S CA 0.443 58.719 58.200 0.127 0.000 0.911 327 S CB -0.718 62.454 63.200 -0.046 0.000 0.805 327 S HN 0.200 nan 8.310 nan 0.000 0.501 328 V N -2.058 117.783 119.914 -0.121 0.000 2.913 328 V HA 0.027 4.147 4.120 0.000 0.000 0.260 328 V C 1.893 178.003 176.094 0.027 0.000 1.098 328 V CA 0.819 63.022 62.300 -0.162 0.000 1.121 328 V CB -1.662 29.946 31.823 -0.358 0.000 0.714 328 V HN 0.670 nan 8.190 nan 0.000 0.487 329 W N 1.788 123.230 121.300 0.237 0.000 2.584 329 W HA 0.155 4.815 4.660 0.000 0.000 0.264 329 W C 2.035 178.761 176.519 0.345 0.000 1.264 329 W CA 0.731 58.200 57.345 0.207 0.000 1.306 329 W CB -0.440 29.078 29.460 0.096 0.000 1.110 329 W HN 0.418 nan 8.180 nan 0.000 0.606 330 S N 0.471 116.449 115.700 0.463 0.000 2.481 330 S HA 0.588 5.058 4.470 0.000 0.000 0.267 330 S C 1.565 176.301 174.600 0.227 0.000 1.174 330 S CA -0.034 58.379 58.200 0.355 0.000 1.027 330 S CB 0.478 63.815 63.200 0.227 0.000 1.117 330 S HN 0.030 nan 8.310 nan 0.000 0.495 331 A N -0.006 122.871 122.820 0.095 0.000 2.015 331 A HA 0.084 4.404 4.320 0.000 0.000 0.219 331 A C 2.024 179.539 177.584 -0.115 0.000 1.163 331 A CA 1.021 53.059 52.037 0.001 0.000 0.646 331 A CB -1.217 17.842 19.000 0.099 0.000 0.806 331 A HN 0.666 nan 8.150 nan 0.000 0.448 332 I N 0.480 120.908 120.570 -0.236 0.000 2.300 332 I HA -0.250 3.920 4.170 0.000 0.000 0.252 332 I C 2.330 178.389 176.117 -0.097 0.000 1.119 332 I CA 1.519 62.680 61.300 -0.232 0.000 1.384 332 I CB -0.501 37.315 38.000 -0.307 0.000 1.062 332 I HN 0.324 nan 8.210 nan 0.000 0.426 333 G N -0.491 108.303 108.800 -0.010 0.000 2.990 333 G HA2 -0.087 3.873 3.960 0.000 0.000 0.206 333 G HA3 -0.087 3.873 3.960 0.000 0.000 0.206 333 G C 1.475 176.298 174.900 -0.129 0.000 1.169 333 G CA -0.062 45.072 45.100 0.058 0.000 0.819 333 G HN 0.292 nan 8.290 nan 0.000 0.517 334 L N 1.844 122.944 121.223 -0.206 0.000 2.042 334 L HA -0.151 4.189 4.340 0.000 0.000 0.210 334 L C 3.118 179.858 176.870 -0.216 0.000 1.076 334 L CA 2.567 57.220 54.840 -0.312 0.000 0.749 334 L CB -0.554 41.281 42.059 -0.375 0.000 0.893 334 L HN 0.332 nan 8.230 nan 0.000 0.432 335 S N -1.897 113.738 115.700 -0.108 0.000 2.368 335 S HA -0.178 4.292 4.470 0.000 0.000 0.225 335 S C 1.947 176.522 174.600 -0.041 0.000 1.030 335 S CA 1.350 59.516 58.200 -0.056 0.000 0.999 335 S CB -1.295 61.935 63.200 0.051 0.000 0.844 335 S HN 0.263 nan 8.310 nan 0.000 0.459 336 V N 2.445 122.343 119.914 -0.025 0.000 2.231 336 V HA -0.227 3.893 4.120 0.000 0.000 0.248 336 V C 2.668 178.729 176.094 -0.056 0.000 1.054 336 V CA 2.450 64.732 62.300 -0.030 0.000 1.015 336 V CB -0.818 31.011 31.823 0.009 0.000 0.638 336 V HN 0.557 nan 8.190 nan 0.000 0.444 337 M N -1.006 118.472 119.600 -0.204 0.000 2.346 337 M HA -0.167 4.313 4.480 0.000 0.000 0.263 337 M C 2.003 178.206 176.300 -0.163 0.000 1.064 337 M CA 1.707 56.840 55.300 -0.279 0.000 1.083 337 M CB -0.149 32.040 32.600 -0.686 0.000 1.399 337 M HN 0.313 nan 8.290 nan 0.000 0.435 338 L N -1.236 119.887 121.223 -0.167 0.000 2.023 338 L HA -0.186 4.154 4.340 0.000 0.000 0.205 338 L C 2.640 179.436 176.870 -0.124 0.000 1.073 338 L CA 1.439 56.180 54.840 -0.165 0.000 0.745 338 L CB -0.642 41.307 42.059 -0.184 0.000 0.900 338 L HN 0.303 nan 8.230 nan 0.000 0.435 339 S N 0.251 115.893 115.700 -0.097 0.000 2.370 339 S HA -0.158 4.312 4.470 0.000 0.000 0.226 339 S C 1.706 176.278 174.600 -0.047 0.000 1.033 339 S CA 1.772 59.928 58.200 -0.074 0.000 1.011 339 S CB -0.169 62.999 63.200 -0.053 0.000 0.852 339 S HN 0.500 nan 8.310 nan 0.000 0.457 340 I N -2.938 117.617 120.570 -0.025 0.000 4.227 340 I HA 0.524 4.694 4.170 0.000 0.000 0.334 340 I C 0.835 176.973 176.117 0.035 0.000 1.341 340 I CA 0.033 61.343 61.300 0.017 0.000 1.123 340 I CB 0.023 38.036 38.000 0.021 0.000 1.097 340 I HN 0.362 nan 8.210 nan 0.000 0.399 341 G N 1.572 110.382 108.800 0.017 0.000 2.814 341 G HA2 -0.366 3.594 3.960 0.000 0.000 0.677 341 G HA3 -0.366 3.594 3.960 0.000 0.000 0.677 341 G C -0.101 174.869 174.900 0.117 0.000 1.429 341 G CA 0.250 45.380 45.100 0.050 0.000 0.868 341 G HN 0.388 nan 8.290 nan 0.000 0.553 342 Y N 0.553 120.871 120.300 0.031 0.000 2.114 342 Y HA -0.110 4.440 4.550 0.000 0.000 0.284 342 Y C 2.610 178.596 175.900 0.144 0.000 1.143 342 Y CA 2.790 60.938 58.100 0.081 0.000 1.135 342 Y CB -0.117 38.375 38.460 0.053 0.000 0.980 342 Y HN 0.569 nan 8.280 nan 0.000 0.499 343 D N -0.184 120.297 120.400 0.135 0.000 2.144 343 D HA -0.187 4.453 4.640 0.000 0.000 0.199 343 D C 1.748 178.044 176.300 -0.006 0.000 0.984 343 D CA 1.663 55.690 54.000 0.046 0.000 0.834 343 D CB -0.500 40.373 40.800 0.123 0.000 0.955 343 D HN 0.563 nan 8.370 nan 0.000 0.465 344 N N -0.771 117.950 118.700 0.034 0.000 2.188 344 N HA -0.102 4.638 4.740 0.000 0.000 0.184 344 N C 1.574 177.110 175.510 0.042 0.000 1.018 344 N CA 0.213 53.267 53.050 0.007 0.000 0.858 344 N CB -0.083 38.409 38.487 0.008 0.000 0.989 344 N HN 0.015 nan 8.380 nan 0.000 0.426 345 F N 1.341 121.243 119.950 -0.081 0.000 2.134 345 F HA -0.147 4.380 4.527 0.000 0.000 0.299 345 F C 2.031 177.844 175.800 0.022 0.000 1.097 345 F CA 0.920 58.916 58.000 -0.007 0.000 1.264 345 F CB -0.249 38.728 39.000 -0.038 0.000 1.001 345 F HN -0.194 nan 8.300 nan 0.000 0.479 346 V N 0.106 120.000 119.914 -0.033 0.000 2.343 346 V HA -0.259 3.861 4.120 0.000 0.000 0.247 346 V C 2.425 178.486 176.094 -0.055 0.000 1.051 346 V CA 1.993 64.225 62.300 -0.113 0.000 1.036 346 V CB -0.570 31.105 31.823 -0.247 0.000 0.654 346 V HN 0.262 nan 8.190 nan 0.000 0.451 347 E N -0.413 119.769 120.200 -0.031 0.000 2.058 347 E HA -0.246 4.104 4.350 0.000 0.000 0.194 347 E C 2.050 178.663 176.600 0.021 0.000 0.997 347 E CA 1.580 57.973 56.400 -0.013 0.000 0.801 347 E CB -0.456 29.222 29.700 -0.036 0.000 0.746 347 E HN 0.586 nan 8.360 nan 0.000 0.450 348 F N 1.482 121.336 119.950 -0.160 0.000 2.065 348 F HA -0.258 4.269 4.527 0.000 0.000 0.298 348 F C 2.119 177.900 175.800 -0.031 0.000 1.112 348 F CA 1.154 59.068 58.000 -0.144 0.000 1.212 348 F CB -0.377 38.442 39.000 -0.301 0.000 0.975 348 F HN -0.003 nan 8.300 nan 0.000 0.476 349 L N 0.137 121.260 121.223 -0.166 0.000 2.083 349 L HA -0.187 4.153 4.340 0.000 0.000 0.209 349 L C 2.499 179.268 176.870 -0.167 0.000 1.083 349 L CA 2.195 56.907 54.840 -0.214 0.000 0.752 349 L CB -1.865 40.122 42.059 -0.121 0.000 0.899 349 L HN 0.197 nan 8.230 nan 0.000 0.433 350 T N -1.015 113.491 114.554 -0.079 0.000 2.821 350 T HA -0.087 4.263 4.350 0.000 0.000 0.267 350 T C 1.808 176.514 174.700 0.009 0.000 1.046 350 T CA 1.148 63.244 62.100 -0.007 0.000 1.139 350 T CB -0.521 68.356 68.868 0.015 0.000 0.871 350 T HN 0.496 nan 8.240 nan 0.000 0.454 351 G N 1.082 109.861 108.800 -0.034 0.000 2.408 351 G HA2 0.001 3.961 3.960 0.000 0.000 0.217 351 G HA3 0.001 3.961 3.960 0.000 0.000 0.217 351 G C 1.819 176.674 174.900 -0.076 0.000 1.150 351 G CA 0.819 45.903 45.100 -0.028 0.000 0.776 351 G HN 0.563 nan 8.290 nan 0.000 0.542 352 A N 0.604 123.306 122.820 -0.197 0.000 1.877 352 A HA -0.139 4.181 4.320 0.000 0.000 0.216 352 A C 2.116 179.587 177.584 -0.188 0.000 1.186 352 A CA 2.124 53.957 52.037 -0.339 0.000 0.620 352 A CB -0.856 17.578 19.000 -0.943 0.000 0.822 352 A HN 0.526 nan 8.150 nan 0.000 0.443 353 H N -0.436 118.501 119.070 -0.221 0.000 2.387 353 H HA -0.057 4.499 4.556 0.000 0.000 0.299 353 H C 1.749 177.067 175.328 -0.018 0.000 1.090 353 H CA 1.769 57.743 56.048 -0.123 0.000 1.332 353 H CB -0.164 29.533 29.762 -0.108 0.000 1.386 353 H HN 0.134 nan 8.280 nan 0.000 0.516 354 V N 0.262 120.166 119.914 -0.017 0.000 2.343 354 V HA -0.265 3.855 4.120 0.000 0.000 0.247 354 V C 2.511 178.606 176.094 0.002 0.000 1.051 354 V CA 1.906 64.200 62.300 -0.010 0.000 1.036 354 V CB -0.591 31.256 31.823 0.040 0.000 0.654 354 V HN 0.452 nan 8.190 nan 0.000 0.451 355 M N 0.387 119.991 119.600 0.006 0.000 2.175 355 M HA -0.125 4.355 4.480 0.000 0.000 0.264 355 M C 1.625 178.036 176.300 0.185 0.000 1.063 355 M CA 1.662 57.002 55.300 0.066 0.000 1.119 355 M CB -0.702 31.908 32.600 0.017 0.000 1.377 355 M HN 0.312 nan 8.290 nan 0.000 0.415 356 D N -0.207 120.274 120.400 0.136 0.000 2.097 356 D HA -0.141 4.499 4.640 0.000 0.000 0.195 356 D C 1.651 178.069 176.300 0.196 0.000 0.989 356 D CA 1.561 55.712 54.000 0.252 0.000 0.827 356 D CB -0.642 40.196 40.800 0.064 0.000 0.966 356 D HN 0.560 nan 8.370 nan 0.000 0.456 357 N N -0.250 118.438 118.700 -0.019 0.000 2.084 357 N HA -0.189 4.551 4.740 0.000 0.000 0.190 357 N C 1.947 177.474 175.510 0.029 0.000 1.030 357 N CA 0.819 53.841 53.050 -0.046 0.000 0.849 357 N CB -0.133 38.268 38.487 -0.144 0.000 1.012 357 N HN 0.230 nan 8.380 nan 0.000 0.423 358 H N 0.757 119.827 119.070 0.000 0.000 2.319 358 H HA -0.173 4.383 4.556 0.000 0.000 0.299 358 H C 1.873 177.221 175.328 0.033 0.000 1.092 358 H CA 1.517 57.575 56.048 0.018 0.000 1.302 358 H CB -0.493 29.289 29.762 0.034 0.000 1.373 358 H HN 0.266 nan 8.280 nan 0.000 0.497 359 F N 1.115 121.193 119.950 0.214 0.000 2.186 359 F HA 0.033 4.560 4.527 0.000 0.000 0.299 359 F C 2.535 178.246 175.800 -0.149 0.000 1.090 359 F CA 1.549 59.586 58.000 0.061 0.000 1.307 359 F CB -0.693 38.243 39.000 -0.105 0.000 1.019 359 F HN 0.239 nan 8.300 nan 0.000 0.489 360 A N -0.214 122.404 122.820 -0.338 0.000 1.872 360 A HA -0.093 4.227 4.320 0.000 0.000 0.214 360 A C 2.305 179.648 177.584 -0.401 0.000 1.187 360 A CA 1.760 53.463 52.037 -0.557 0.000 0.614 360 A CB -1.257 17.519 19.000 -0.374 0.000 0.826 360 A HN 0.460 nan 8.150 nan 0.000 0.442 361 S N -1.280 114.263 115.700 -0.262 0.000 2.501 361 S HA 0.055 4.525 4.470 0.000 0.000 0.220 361 S C 0.657 175.118 174.600 -0.233 0.000 0.997 361 S CA 0.630 58.698 58.200 -0.220 0.000 0.919 361 S CB -0.510 62.593 63.200 -0.161 0.000 0.778 361 S HN 0.305 nan 8.310 nan 0.000 0.523 362 T N 5.636 120.019 114.554 -0.284 0.000 2.749 362 T HA 0.407 4.757 4.350 0.000 0.000 0.295 362 T C -2.704 171.877 174.700 -0.197 0.000 0.936 362 T CA -1.339 60.589 62.100 -0.286 0.000 1.060 362 T CB 1.152 69.720 68.868 -0.501 0.000 0.904 362 T HN 0.236 nan 8.240 nan 0.000 0.500 363 P HA 0.012 nan 4.420 nan 0.000 0.266 363 P C 1.395 178.639 177.300 -0.093 0.000 1.195 363 P CA -0.047 62.981 63.100 -0.120 0.000 0.768 363 P CB 0.387 32.029 31.700 -0.098 0.000 0.838 364 T N 0.637 115.139 114.554 -0.086 0.000 2.649 364 T HA -0.288 4.062 4.350 0.000 0.000 0.268 364 T C 1.217 175.885 174.700 -0.053 0.000 1.036 364 T CA 1.961 64.024 62.100 -0.060 0.000 1.157 364 T CB -1.062 67.772 68.868 -0.057 0.000 0.861 364 T HN 0.368 nan 8.240 nan 0.000 0.445 365 E N 1.078 121.240 120.200 -0.063 0.000 2.204 365 E HA -0.060 4.290 4.350 0.000 0.000 0.195 365 E C 2.153 178.723 176.600 -0.050 0.000 0.990 365 E CA 0.918 57.276 56.400 -0.071 0.000 0.821 365 E CB -0.241 29.414 29.700 -0.075 0.000 0.750 365 E HN 0.403 nan 8.360 nan 0.000 0.477 366 Q N -0.114 119.668 119.800 -0.030 0.000 2.219 366 Q HA 0.164 4.504 4.340 0.000 0.000 0.209 366 Q C -0.494 175.552 176.000 0.076 0.000 0.854 366 Q CA -0.046 55.761 55.803 0.006 0.000 0.960 366 Q CB 0.353 29.078 28.738 -0.021 0.000 1.116 366 Q HN 0.077 nan 8.270 nan 0.000 0.500 367 N N 0.926 119.672 118.700 0.077 0.000 2.420 367 N HA 0.057 4.797 4.740 0.000 0.000 0.249 367 N C 0.665 176.280 175.510 0.175 0.000 1.033 367 N CA 0.015 53.202 53.050 0.229 0.000 0.944 367 N CB 0.820 39.376 38.487 0.115 0.000 1.113 367 N HN 0.230 nan 8.380 nan 0.000 0.502 368 L N 6.542 127.858 121.223 0.155 0.000 1.976 368 L HA 0.026 4.366 4.340 0.000 0.000 0.209 368 L C -0.850 175.971 176.870 -0.083 0.000 1.071 368 L CA 1.302 56.099 54.840 -0.071 0.000 0.746 368 L CB -0.691 41.227 42.059 -0.234 0.000 0.890 368 L HN 0.457 nan 8.230 nan 0.000 0.432 369 P HA -0.155 nan 4.420 nan 0.000 0.218 369 P C 1.833 179.134 177.300 0.001 0.000 1.149 369 P CA 1.478 64.541 63.100 -0.061 0.000 0.817 369 P CB -0.089 31.550 31.700 -0.102 0.000 0.785 370 M N -1.926 117.732 119.600 0.096 0.000 2.099 370 M HA -0.103 4.377 4.480 0.000 0.000 0.262 370 M C 1.967 178.241 176.300 -0.042 0.000 1.067 370 M CA 1.673 57.020 55.300 0.078 0.000 1.124 370 M CB -0.974 31.681 32.600 0.091 0.000 1.353 370 M HN -0.010 nan 8.290 nan 0.000 0.410 371 M N 0.028 119.550 119.600 -0.131 0.000 2.175 371 M HA -0.116 4.364 4.480 0.000 0.000 0.264 371 M C 2.229 178.349 176.300 -0.300 0.000 1.063 371 M CA 1.276 56.386 55.300 -0.317 0.000 1.119 371 M CB -1.205 31.061 32.600 -0.558 0.000 1.377 371 M HN 0.308 nan 8.290 nan 0.000 0.415 372 L N -0.159 120.944 121.223 -0.201 0.000 2.012 372 L HA -0.227 4.113 4.340 0.000 0.000 0.210 372 L C 2.483 179.340 176.870 -0.023 0.000 1.073 372 L CA 1.780 56.554 54.840 -0.110 0.000 0.748 372 L CB -0.604 41.385 42.059 -0.116 0.000 0.891 372 L HN 0.271 nan 8.230 nan 0.000 0.431 373 A N -0.761 122.047 122.820 -0.021 0.000 1.933 373 A HA -0.201 4.119 4.320 0.000 0.000 0.218 373 A C 2.020 179.629 177.584 0.042 0.000 1.175 373 A CA 1.273 53.316 52.037 0.010 0.000 0.628 373 A CB -0.447 18.545 19.000 -0.012 0.000 0.814 373 A HN 0.352 nan 8.150 nan 0.000 0.444 374 L N 0.007 121.242 121.223 0.019 0.000 2.095 374 L HA -0.086 4.254 4.340 0.000 0.000 0.204 374 L C 2.808 179.764 176.870 0.143 0.000 1.080 374 L CA 1.957 56.833 54.840 0.060 0.000 0.759 374 L CB -0.908 41.140 42.059 -0.018 0.000 0.914 374 L HN 0.425 nan 8.230 nan 0.000 0.439 375 V N -2.917 117.062 119.914 0.108 0.000 2.490 375 V HA -0.044 4.076 4.120 0.000 0.000 0.250 375 V C 2.280 178.630 176.094 0.426 0.000 1.061 375 V CA 1.639 64.106 62.300 0.277 0.000 1.064 375 V CB -1.707 30.277 31.823 0.267 0.000 0.670 375 V HN 0.339 nan 8.190 nan 0.000 0.461 376 G N 0.214 109.200 108.800 0.309 0.000 2.408 376 G HA2 -0.114 3.846 3.960 0.000 0.000 0.217 376 G HA3 -0.114 3.846 3.960 0.000 0.000 0.217 376 G C 1.560 176.691 174.900 0.385 0.000 1.150 376 G CA 1.031 46.331 45.100 0.334 0.000 0.776 376 G HN 0.529 nan 8.290 nan 0.000 0.542 377 I N -0.694 120.090 120.570 0.357 0.000 2.226 377 I HA -0.146 4.024 4.170 0.000 0.000 0.245 377 I C 2.525 178.967 176.117 0.542 0.000 1.100 377 I CA 0.803 62.370 61.300 0.446 0.000 1.374 377 I CB -0.183 38.048 38.000 0.385 0.000 1.057 377 I HN 0.410 nan 8.210 nan 0.000 0.413 378 W N 1.067 122.541 121.300 0.290 0.000 2.317 378 W HA -0.325 4.335 4.660 0.000 0.000 0.318 378 W C 2.438 179.058 176.519 0.168 0.000 1.227 378 W CA 1.692 59.175 57.345 0.230 0.000 1.269 378 W CB -0.415 29.038 29.460 -0.013 0.000 1.155 378 W HN 0.105 nan 8.180 nan 0.000 0.484 379 Y N 0.592 121.058 120.300 0.277 0.000 2.133 379 Y HA -0.249 4.301 4.550 0.000 0.000 0.287 379 Y C 2.654 178.612 175.900 0.097 0.000 1.134 379 Y CA 2.187 60.342 58.100 0.093 0.000 1.133 379 Y CB -1.504 36.988 38.460 0.053 0.000 0.987 379 Y HN 0.088 nan 8.280 nan 0.000 0.502 380 N N -0.065 118.811 118.700 0.293 0.000 2.149 380 N HA -0.205 4.535 4.740 0.000 0.000 0.188 380 N C 1.091 176.627 175.510 0.043 0.000 1.019 380 N CA 1.440 54.605 53.050 0.192 0.000 0.857 380 N CB -0.091 38.576 38.487 0.299 0.000 0.997 380 N HN 0.401 nan 8.380 nan 0.000 0.426 381 N N -1.437 117.242 118.700 -0.035 0.000 2.273 381 N HA 0.074 4.814 4.740 0.000 0.000 0.192 381 N C 0.418 175.381 175.510 -0.912 0.000 1.132 381 N CA 0.187 53.033 53.050 -0.341 0.000 0.887 381 N CB 0.327 38.658 38.487 -0.259 0.000 1.048 381 N HN 0.187 nan 8.380 nan 0.000 0.490 382 F N -0.777 118.894 119.950 -0.466 0.000 2.537 382 F HA 0.285 4.812 4.527 0.000 0.000 0.275 382 F C 1.611 176.579 175.800 -1.388 0.000 0.947 382 F CA -0.211 57.174 58.000 -1.024 0.000 1.238 382 F CB -0.529 37.703 39.000 -1.282 0.000 1.071 382 F HN -0.197 nan 8.300 nan 0.000 0.749 383 F N 0.974 120.388 119.950 -0.893 0.000 2.293 383 F HA 0.136 4.663 4.527 0.000 0.000 0.300 383 F C 2.165 177.822 175.800 -0.240 0.000 1.086 383 F CA 1.474 59.188 58.000 -0.476 0.000 1.375 383 F CB -0.803 38.097 39.000 -0.167 0.000 1.045 383 F HN 0.185 nan 8.300 nan 0.000 0.516 384 G N -0.323 108.434 108.800 -0.072 0.000 2.159 384 G HA2 -0.294 3.666 3.960 0.000 0.000 0.256 384 G HA3 -0.294 3.666 3.960 0.000 0.000 0.256 384 G C 0.435 175.357 174.900 0.035 0.000 0.977 384 G CA 0.241 45.314 45.100 -0.045 0.000 0.652 384 G HN 0.250 nan 8.290 nan 0.000 0.531 385 S N 0.250 116.018 115.700 0.113 0.000 2.544 385 S HA 0.205 4.675 4.470 0.000 0.000 0.290 385 S C 1.311 175.956 174.600 0.076 0.000 1.276 385 S CA 0.503 58.772 58.200 0.114 0.000 1.075 385 S CB 0.919 64.216 63.200 0.162 0.000 0.849 385 S HN 0.498 nan 8.310 nan 0.000 0.494 386 E N 1.051 121.279 120.200 0.047 0.000 2.385 386 E HA -0.001 4.349 4.350 0.000 0.000 0.194 386 E C 0.931 177.557 176.600 0.044 0.000 1.013 386 E CA 0.377 56.791 56.400 0.023 0.000 0.866 386 E CB 0.398 30.094 29.700 -0.007 0.000 0.832 386 E HN 0.758 nan 8.360 nan 0.000 0.500 387 T N -1.719 112.880 114.554 0.074 0.000 2.907 387 T HA 0.468 4.818 4.350 0.000 0.000 0.290 387 T C -0.865 173.917 174.700 0.137 0.000 1.066 387 T CA -0.974 61.200 62.100 0.124 0.000 1.012 387 T CB 2.281 71.247 68.868 0.164 0.000 1.184 387 T HN -0.158 nan 8.240 nan 0.000 0.522 388 Q N 0.839 120.724 119.800 0.142 0.000 2.350 388 Q HA 0.652 4.992 4.340 0.000 0.000 0.255 388 Q C -1.133 174.765 176.000 -0.170 0.000 0.951 388 Q CA -0.409 55.406 55.803 0.021 0.000 0.751 388 Q CB 1.372 30.134 28.738 0.039 0.000 1.296 388 Q HN 1.133 nan 8.270 nan 0.000 0.453 389 A N 3.254 125.845 122.820 -0.383 0.000 2.328 389 A HA 0.691 5.011 4.320 0.000 0.000 0.284 389 A C -0.732 176.571 177.584 -0.469 0.000 1.160 389 A CA -0.421 51.121 52.037 -0.823 0.000 0.818 389 A CB 0.779 19.224 19.000 -0.925 0.000 1.087 389 A HN 0.545 nan 8.150 nan 0.000 0.504 390 V N 3.961 123.616 119.914 -0.432 0.000 2.409 390 V HA 0.400 4.520 4.120 0.000 0.000 0.291 390 V C -0.365 175.612 176.094 -0.195 0.000 1.020 390 V CA -0.159 61.997 62.300 -0.240 0.000 0.848 390 V CB 1.067 32.769 31.823 -0.201 0.000 0.990 390 V HN 0.723 nan 8.190 nan 0.000 0.430 391 L N 7.188 128.322 121.223 -0.149 0.000 2.462 391 L HA 0.421 4.761 4.340 0.000 0.000 0.255 391 L C -2.661 174.322 176.870 0.188 0.000 1.076 391 L CA -1.465 53.343 54.840 -0.053 0.000 0.920 391 L CB 1.960 43.850 42.059 -0.281 0.000 1.214 391 L HN 0.419 nan 8.230 nan 0.000 0.472 392 P HA 0.119 nan 4.420 nan 0.000 0.287 392 P C -0.814 176.641 177.300 0.259 0.000 1.294 392 P CA -0.213 63.051 63.100 0.274 0.000 0.776 392 P CB 0.484 32.290 31.700 0.176 0.000 0.889 393 Y N 2.514 122.952 120.300 0.231 0.000 2.830 393 Y HA 0.278 4.828 4.550 0.000 0.000 0.371 393 Y C 0.543 176.497 175.900 0.091 0.000 1.246 393 Y CA 0.404 58.612 58.100 0.180 0.000 1.890 393 Y CB -0.265 38.364 38.460 0.281 0.000 1.995 393 Y HN 0.306 nan 8.280 nan 0.000 0.430 394 D N 0.387 120.866 120.400 0.131 0.000 2.614 394 D HA 0.006 4.646 4.640 0.000 0.000 0.203 394 D C 0.307 176.645 176.300 0.062 0.000 1.312 394 D CA -0.226 53.840 54.000 0.110 0.000 0.889 394 D CB 1.356 42.259 40.800 0.172 0.000 1.615 394 D HN 0.208 nan 8.370 nan 0.000 0.567 395 Q N 2.557 122.317 119.800 -0.067 0.000 2.364 395 Q HA -0.078 4.262 4.340 0.000 0.000 0.207 395 Q C 0.726 176.733 176.000 0.012 0.000 0.970 395 Q CA 1.544 57.282 55.803 -0.109 0.000 0.888 395 Q CB -0.100 28.475 28.738 -0.271 0.000 0.951 395 Q HN 0.558 nan 8.270 nan 0.000 0.469 396 Y N -0.493 119.888 120.300 0.135 0.000 2.373 396 Y HA -0.009 4.541 4.550 0.000 0.000 0.293 396 Y C 1.192 177.209 175.900 0.194 0.000 1.129 396 Y CA 0.636 58.842 58.100 0.175 0.000 1.226 396 Y CB 0.034 38.558 38.460 0.107 0.000 1.000 396 Y HN 0.076 nan 8.280 nan 0.000 0.549 397 L N 0.980 122.375 121.223 0.286 0.000 2.672 397 L HA -0.062 4.278 4.340 0.000 0.000 0.236 397 L C 1.638 178.596 176.870 0.146 0.000 1.186 397 L CA -0.237 54.702 54.840 0.164 0.000 0.977 397 L CB -0.600 41.541 42.059 0.136 0.000 1.203 397 L HN 0.527 nan 8.230 nan 0.000 0.448 398 W N -0.134 121.174 121.300 0.012 0.000 2.468 398 W HA -0.161 4.499 4.660 0.000 0.000 0.262 398 W C 1.393 177.907 176.519 -0.010 0.000 1.241 398 W CA 0.213 57.554 57.345 -0.007 0.000 1.232 398 W CB -0.544 28.904 29.460 -0.020 0.000 1.124 398 W HN 0.124 nan 8.180 nan 0.000 0.597 399 R N 0.492 120.688 120.500 -0.508 0.000 2.397 399 R HA 0.145 4.485 4.340 0.000 0.000 0.241 399 R C 1.933 178.067 176.300 -0.277 0.000 0.914 399 R CA 0.124 55.867 56.100 -0.596 0.000 1.071 399 R CB -0.884 28.878 30.300 -0.897 0.000 1.116 399 R HN 0.177 nan 8.270 nan 0.000 0.524 400 L N 0.812 121.937 121.223 -0.163 0.000 2.017 400 L HA 0.063 4.403 4.340 0.000 0.000 0.208 400 L C -1.127 175.701 176.870 -0.069 0.000 1.073 400 L CA 1.954 56.738 54.840 -0.094 0.000 0.745 400 L CB -0.750 41.281 42.059 -0.046 0.000 0.894 400 L HN 0.058 nan 8.230 nan 0.000 0.432 401 P HA -0.184 nan 4.420 nan 0.000 0.215 401 P C 1.629 178.873 177.300 -0.094 0.000 1.157 401 P CA 2.154 65.194 63.100 -0.101 0.000 0.868 401 P CB -0.229 31.429 31.700 -0.070 0.000 0.788 402 A N -1.308 121.459 122.820 -0.087 0.000 1.917 402 A HA -0.273 4.047 4.320 0.000 0.000 0.219 402 A C 2.323 179.849 177.584 -0.097 0.000 1.182 402 A CA 1.877 53.857 52.037 -0.094 0.000 0.633 402 A CB -2.017 16.911 19.000 -0.120 0.000 0.819 402 A HN 0.197 nan 8.150 nan 0.000 0.448 403 Y N 0.355 120.532 120.300 -0.205 0.000 2.145 403 Y HA -0.133 4.417 4.550 0.000 0.000 0.286 403 Y C 1.940 177.717 175.900 -0.205 0.000 1.145 403 Y CA 1.920 59.894 58.100 -0.210 0.000 1.148 403 Y CB -0.246 38.081 38.460 -0.222 0.000 0.981 403 Y HN 0.210 nan 8.280 nan 0.000 0.507 404 L N -0.007 121.138 121.223 -0.131 0.000 2.275 404 L HA -0.204 4.136 4.340 0.000 0.000 0.215 404 L C 2.363 179.092 176.870 -0.234 0.000 1.119 404 L CA 1.010 55.703 54.840 -0.244 0.000 0.790 404 L CB -0.503 41.361 42.059 -0.325 0.000 0.919 404 L HN 0.370 nan 8.230 nan 0.000 0.443 405 Q N -0.292 119.397 119.800 -0.186 0.000 2.046 405 Q HA -0.276 4.064 4.340 0.000 0.000 0.200 405 Q C 2.149 178.043 176.000 -0.177 0.000 0.975 405 Q CA 1.721 57.438 55.803 -0.143 0.000 0.836 405 Q CB -0.095 28.582 28.738 -0.102 0.000 0.896 405 Q HN 0.490 nan 8.270 nan 0.000 0.428 406 Q N 0.705 120.359 119.800 -0.243 0.000 1.985 406 Q HA -0.240 4.101 4.340 0.000 0.000 0.207 406 Q C 2.111 177.923 176.000 -0.313 0.000 0.996 406 Q CA 1.653 57.291 55.803 -0.275 0.000 0.851 406 Q CB -0.292 28.241 28.738 -0.341 0.000 0.921 406 Q HN 0.311 nan 8.270 nan 0.000 0.418 407 L N 1.102 122.047 121.223 -0.463 0.000 2.013 407 L HA -0.231 4.109 4.340 0.000 0.000 0.212 407 L C 1.977 178.713 176.870 -0.223 0.000 1.073 407 L CA 2.545 57.116 54.840 -0.448 0.000 0.753 407 L CB -0.913 40.835 42.059 -0.519 0.000 0.890 407 L HN 0.429 nan 8.230 nan 0.000 0.432 408 D N -0.984 119.320 120.400 -0.160 0.000 2.106 408 D HA -0.141 4.499 4.640 0.000 0.000 0.203 408 D C 2.120 178.406 176.300 -0.023 0.000 0.977 408 D CA 1.758 55.728 54.000 -0.051 0.000 0.844 408 D CB 0.008 40.788 40.800 -0.035 0.000 1.002 408 D HN 0.418 nan 8.370 nan 0.000 0.461 409 M N 0.209 119.781 119.600 -0.048 0.000 2.254 409 M HA -0.036 4.444 4.480 0.000 0.000 0.265 409 M C 2.149 178.429 176.300 -0.033 0.000 1.066 409 M CA 0.902 56.186 55.300 -0.027 0.000 1.123 409 M CB -0.103 32.474 32.600 -0.038 0.000 1.388 409 M HN 0.002 nan 8.290 nan 0.000 0.425 410 E N 0.145 120.306 120.200 -0.065 0.000 2.158 410 E HA -0.099 4.251 4.350 0.000 0.000 0.191 410 E C 1.801 178.382 176.600 -0.032 0.000 0.982 410 E CA 1.009 57.376 56.400 -0.056 0.000 0.823 410 E CB 0.291 29.940 29.700 -0.086 0.000 0.766 410 E HN 0.394 nan 8.360 nan 0.000 0.468 411 S N 0.885 116.567 115.700 -0.030 0.000 2.345 411 S HA -0.033 4.437 4.470 0.000 0.000 0.219 411 S C 1.366 175.969 174.600 0.004 0.000 1.031 411 S CA 0.941 59.130 58.200 -0.019 0.000 0.984 411 S CB -0.035 63.163 63.200 -0.003 0.000 0.874 411 S HN 0.235 nan 8.310 nan 0.000 0.451 412 N N 0.571 119.303 118.700 0.054 0.000 2.203 412 N HA 0.200 4.940 4.740 0.000 0.000 0.207 412 N C 0.364 175.930 175.510 0.092 0.000 1.130 412 N CA 0.009 53.144 53.050 0.141 0.000 0.861 412 N CB 0.626 39.286 38.487 0.288 0.000 1.005 412 N HN 0.319 nan 8.380 nan 0.000 0.507 413 G N 0.878 109.699 108.800 0.036 0.000 3.343 413 G HA2 0.138 4.098 3.960 0.000 0.000 0.264 413 G HA3 0.138 4.098 3.960 0.000 0.000 0.264 413 G C 0.137 175.038 174.900 0.001 0.000 0.884 413 G CA -0.147 44.953 45.100 0.000 0.000 1.916 413 G HN -0.138 nan 8.290 nan 0.000 0.618 414 K N 0.094 120.492 120.400 -0.002 0.000 2.340 414 K HA 0.566 4.886 4.320 0.000 0.000 0.244 414 K C 0.708 177.290 176.600 -0.032 0.000 0.973 414 K CA -0.850 55.443 56.287 0.010 0.000 0.828 414 K CB 2.246 34.775 32.500 0.048 0.000 1.226 414 K HN 0.107 nan 8.250 nan 0.000 0.437 415 G N -0.329 108.462 108.800 -0.016 0.000 2.944 415 G HA2 0.213 4.173 3.960 0.000 0.000 0.220 415 G HA3 0.213 4.173 3.960 0.000 0.000 0.220 415 G C -0.046 174.834 174.900 -0.034 0.000 1.100 415 G CA 0.048 45.123 45.100 -0.041 0.000 0.780 415 G HN 0.317 nan 8.290 nan 0.000 0.539 416 V N -0.985 118.926 119.914 -0.004 0.000 2.914 416 V HA 0.821 4.941 4.120 0.000 0.000 0.314 416 V C 0.073 176.177 176.094 0.017 0.000 1.084 416 V CA -0.479 61.821 62.300 -0.000 0.000 0.963 416 V CB 1.059 32.886 31.823 0.008 0.000 1.025 416 V HN 0.183 nan 8.190 nan 0.000 0.432 417 T N -0.043 114.515 114.554 0.008 0.000 2.874 417 T HA 0.427 4.777 4.350 0.000 0.000 0.281 417 T C 0.845 175.564 174.700 0.032 0.000 0.994 417 T CA -0.186 61.925 62.100 0.018 0.000 1.015 417 T CB 1.258 70.125 68.868 -0.003 0.000 1.028 417 T HN 0.791 nan 8.240 nan 0.000 0.523 418 K N 0.739 121.163 120.400 0.040 0.000 1.991 418 K HA -0.161 4.159 4.320 0.000 0.000 0.212 418 K C 2.324 178.949 176.600 0.042 0.000 1.049 418 K CA 1.903 58.224 56.287 0.057 0.000 0.932 418 K CB -0.309 32.228 32.500 0.063 0.000 0.717 418 K HN 0.821 nan 8.250 nan 0.000 0.441 419 K N 1.299 121.714 120.400 0.025 0.000 2.444 419 K HA -0.099 4.221 4.320 0.000 0.000 0.200 419 K C -0.425 176.181 176.600 0.010 0.000 1.045 419 K CA 1.064 57.361 56.287 0.016 0.000 0.934 419 K CB -0.261 32.243 32.500 0.006 0.000 0.756 419 K HN 0.047 nan 8.250 nan 0.000 0.477 420 S N -1.066 114.640 115.700 0.010 0.000 3.461 420 S HA 0.207 4.677 4.470 0.000 0.000 0.820 420 S C -0.035 174.559 174.600 -0.010 0.000 1.142 420 S CA 0.251 58.451 58.200 0.001 0.000 1.078 420 S CB -1.074 62.124 63.200 -0.004 0.000 0.674 420 S HN 1.392 nan 8.310 nan 0.000 0.333 421 G N -0.105 108.685 108.800 -0.016 0.000 2.784 421 G HA2 0.458 4.418 3.960 0.000 0.000 0.686 421 G HA3 0.458 4.418 3.960 0.000 0.000 0.686 421 G C -0.176 174.706 174.900 -0.030 0.000 1.156 421 G CA 0.057 45.143 45.100 -0.023 0.000 0.757 421 G HN 2.109 nan 8.290 nan 0.000 0.642 422 A N 0.976 123.774 122.820 -0.037 0.000 2.555 422 A HA 0.621 4.941 4.320 0.000 0.000 0.233 422 A C 1.435 178.979 177.584 -0.066 0.000 1.060 422 A CA 0.556 52.564 52.037 -0.048 0.000 0.759 422 A CB 0.086 19.055 19.000 -0.050 0.000 0.995 422 A HN 2.391 nan 8.150 nan 0.000 0.506 423 V N -0.103 119.762 119.914 -0.081 0.000 2.811 423 V HA 0.475 4.595 4.120 0.000 0.000 0.302 423 V C 1.073 177.080 176.094 -0.146 0.000 1.063 423 V CA 0.278 62.509 62.300 -0.116 0.000 1.088 423 V CB 0.559 32.297 31.823 -0.141 0.000 0.982 423 V HN 1.317 nan 8.190 nan 0.000 0.485 424 A N 3.503 126.212 122.820 -0.186 0.000 2.308 424 A HA 0.589 4.909 4.320 0.000 0.000 0.217 424 A C 0.773 178.207 177.584 -0.251 0.000 1.216 424 A CA 0.702 52.620 52.037 -0.199 0.000 0.864 424 A CB -0.313 18.557 19.000 -0.215 0.000 0.902 424 A HN 1.848 nan 8.150 nan 0.000 0.499 425 V N -4.381 115.351 119.914 -0.303 0.000 3.130 425 V HA 0.488 4.608 4.120 0.000 0.000 0.310 425 V C -1.005 174.870 176.094 -0.366 0.000 1.158 425 V CA -1.313 60.800 62.300 -0.311 0.000 1.029 425 V CB 1.325 32.905 31.823 -0.404 0.000 1.057 425 V HN 0.113 nan 8.190 nan 0.000 0.436 426 Q N 2.302 121.910 119.800 -0.321 0.000 2.304 426 Q HA 0.256 4.596 4.340 0.000 0.000 0.301 426 Q C 0.720 176.207 176.000 -0.854 0.000 1.063 426 Q CA 1.019 56.578 55.803 -0.408 0.000 0.947 426 Q CB 1.041 29.620 28.738 -0.264 0.000 1.201 426 Q HN 1.179 nan 8.270 nan 0.000 0.389 427 T N -1.388 112.661 114.554 -0.843 0.000 2.886 427 T HA 0.550 4.900 4.350 0.000 0.000 0.259 427 T C 0.661 174.875 174.700 -0.811 0.000 1.125 427 T CA -0.241 61.034 62.100 -1.375 0.000 0.988 427 T CB -0.211 68.243 68.868 -0.691 0.000 2.203 427 T HN 0.564 nan 8.240 nan 0.000 0.552 428 G N 2.638 111.255 108.800 -0.305 0.000 2.484 428 G HA2 0.478 4.438 3.960 0.000 0.000 0.235 428 G HA3 0.478 4.438 3.960 0.000 0.000 0.235 428 G C -2.315 172.593 174.900 0.014 0.000 1.282 428 G CA -0.764 44.377 45.100 0.068 0.000 0.857 428 G HN 0.696 nan 8.290 nan 0.000 0.571 429 P HA 0.445 nan 4.420 nan 0.000 0.284 429 P C -0.664 176.666 177.300 0.050 0.000 1.287 429 P CA -0.907 62.232 63.100 0.065 0.000 0.824 429 P CB 1.510 33.279 31.700 0.116 0.000 1.180 430 I N 0.401 120.998 120.570 0.044 0.000 2.312 430 I HA 0.121 4.291 4.170 0.000 0.000 0.291 430 I C 0.184 176.362 176.117 0.101 0.000 1.031 430 I CA -0.349 60.975 61.300 0.039 0.000 1.293 430 I CB 0.818 38.819 38.000 0.002 0.000 1.403 430 I HN -0.011 nan 8.210 nan 0.000 0.484 431 V N 7.971 127.927 119.914 0.070 0.000 2.509 431 V HA 0.507 4.627 4.120 0.000 0.000 0.284 431 V C -0.162 176.009 176.094 0.128 0.000 1.047 431 V CA -0.343 61.990 62.300 0.055 0.000 0.952 431 V CB 0.847 32.646 31.823 -0.040 0.000 0.988 431 V HN 0.605 nan 8.190 nan 0.000 0.469 432 F N 1.654 121.525 119.950 -0.131 0.000 2.715 432 F HA 1.035 5.562 4.527 0.000 0.000 0.318 432 F C -0.092 175.614 175.800 -0.157 0.000 1.141 432 F CA -0.557 57.346 58.000 -0.160 0.000 0.950 432 F CB 1.695 40.562 39.000 -0.223 0.000 1.374 432 F HN 0.937 nan 8.300 nan 0.000 0.477 433 G N 0.688 109.375 108.800 -0.188 0.000 2.350 433 G HA2 0.467 4.427 3.960 0.000 0.000 0.304 433 G HA3 0.467 4.427 3.960 0.000 0.000 0.304 433 G C -2.356 172.609 174.900 0.108 0.000 1.421 433 G CA -0.928 44.063 45.100 -0.182 0.000 0.934 433 G HN 0.799 nan 8.290 nan 0.000 0.632 434 E N -1.099 119.249 120.200 0.247 0.000 2.433 434 E HA 0.680 5.030 4.350 0.000 0.000 0.278 434 E C 0.012 176.698 176.600 0.143 0.000 0.976 434 E CA -0.465 56.076 56.400 0.235 0.000 0.793 434 E CB 2.161 32.054 29.700 0.322 0.000 1.311 434 E HN 1.219 nan 8.360 nan 0.000 0.460 435 A N 0.724 123.608 122.820 0.107 0.000 2.440 435 A HA 0.536 4.856 4.320 0.000 0.000 0.251 435 A C 0.728 178.230 177.584 -0.138 0.000 1.089 435 A CA 0.493 52.545 52.037 0.026 0.000 0.779 435 A CB 0.012 19.063 19.000 0.085 0.000 1.022 435 A HN 0.521 nan 8.150 nan 0.000 0.492 436 G N 1.152 109.745 108.800 -0.345 0.000 2.630 436 G HA2 0.395 4.355 3.960 0.000 0.000 0.236 436 G HA3 0.395 4.355 3.960 0.000 0.000 0.236 436 G C 0.882 175.437 174.900 -0.576 0.000 1.248 436 G CA 0.732 45.290 45.100 -0.903 0.000 0.844 436 G HN 1.671 nan 8.290 nan 0.000 0.588 437 T N 1.391 115.597 114.554 -0.580 0.000 13.302 437 T HA -0.398 3.952 4.350 0.000 0.000 0.419 437 T C 1.888 176.405 174.700 -0.304 0.000 1.442 437 T CA 2.062 63.979 62.100 -0.305 0.000 2.360 437 T CB -1.459 67.303 68.868 -0.176 0.000 2.805 437 T HN 0.627 nan 8.240 nan 0.000 0.605 438 N N 1.753 120.312 118.700 -0.234 0.000 2.055 438 N HA -0.089 4.651 4.740 0.000 0.000 0.200 438 N C 2.088 177.462 175.510 -0.228 0.000 1.037 438 N CA 2.250 55.197 53.050 -0.172 0.000 0.881 438 N CB -1.063 37.364 38.487 -0.099 0.000 1.075 438 N HN 0.743 nan 8.380 nan 0.000 0.470 439 G N 0.013 108.646 108.800 -0.279 0.000 2.532 439 G HA2 -0.356 3.604 3.960 0.000 0.000 0.222 439 G HA3 -0.356 3.604 3.960 0.000 0.000 0.222 439 G C 1.369 175.859 174.900 -0.683 0.000 1.102 439 G CA 0.994 45.763 45.100 -0.552 0.000 0.742 439 G HN 0.403 nan 8.290 nan 0.000 0.577 440 Q N -0.986 118.326 119.800 -0.814 0.000 2.124 440 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 440 Q C 1.671 177.478 176.000 -0.320 0.000 0.977 440 Q CA 0.780 56.029 55.803 -0.924 0.000 0.850 440 Q CB -0.069 28.240 28.738 -0.715 0.000 0.901 440 Q HN 0.568 nan 8.270 nan 0.000 0.429 441 H N -0.591 118.321 119.070 -0.263 0.000 2.610 441 H HA 0.387 4.943 4.556 0.000 0.000 0.302 441 H C -0.306 174.965 175.328 -0.095 0.000 1.063 441 H CA 0.480 56.449 56.048 -0.132 0.000 1.159 441 H CB -0.082 29.620 29.762 -0.099 0.000 1.427 441 H HN 0.331 nan 8.280 nan 0.000 0.553 442 A N -0.317 122.512 122.820 0.014 0.000 3.395 442 A HA 0.215 4.535 4.320 0.000 0.000 0.182 442 A C 0.670 178.325 177.584 0.117 0.000 0.937 442 A CA 0.035 52.102 52.037 0.049 0.000 1.147 442 A CB -0.881 18.116 19.000 -0.006 0.000 1.734 442 A HN 0.176 nan 8.150 nan 0.000 0.684 443 F N -0.393 119.719 119.950 0.270 0.000 2.664 443 F HA 0.023 4.550 4.527 0.000 0.000 0.297 443 F C 1.296 177.311 175.800 0.357 0.000 1.164 443 F CA 0.558 58.721 58.000 0.272 0.000 1.472 443 F CB -1.087 38.057 39.000 0.241 0.000 1.108 443 F HN 0.335 nan 8.300 nan 0.000 0.596 444 Y N 1.085 121.425 120.300 0.068 0.000 2.274 444 Y HA -0.230 4.320 4.550 0.000 0.000 0.290 444 Y C 2.684 178.798 175.900 0.357 0.000 1.145 444 Y CA 1.564 59.825 58.100 0.267 0.000 1.203 444 Y CB -1.162 37.418 38.460 0.201 0.000 0.984 444 Y HN 0.281 nan 8.280 nan 0.000 0.533 445 Q N 0.734 120.764 119.800 0.384 0.000 2.118 445 Q HA -0.261 4.079 4.340 0.000 0.000 0.211 445 Q C 2.198 178.365 176.000 0.278 0.000 0.998 445 Q CA 2.328 58.299 55.803 0.280 0.000 0.872 445 Q CB -0.895 27.958 28.738 0.192 0.000 0.925 445 Q HN 0.633 nan 8.270 nan 0.000 0.414 446 L N -0.874 120.513 121.223 0.273 0.000 2.072 446 L HA -0.080 4.260 4.340 0.000 0.000 0.205 446 L C 1.880 178.871 176.870 0.203 0.000 1.079 446 L CA 0.702 55.667 54.840 0.207 0.000 0.752 446 L CB -0.235 41.929 42.059 0.175 0.000 0.906 446 L HN 0.302 nan 8.230 nan 0.000 0.436 447 I N -0.398 120.313 120.570 0.235 0.000 2.335 447 I HA -0.301 3.869 4.170 0.000 0.000 0.251 447 I C 2.217 178.389 176.117 0.093 0.000 1.129 447 I CA 1.648 63.020 61.300 0.120 0.000 1.402 447 I CB -1.724 36.274 38.000 -0.002 0.000 1.069 447 I HN 0.403 nan 8.210 nan 0.000 0.424 448 H N -0.218 118.966 119.070 0.190 0.000 2.399 448 H HA 0.104 4.660 4.556 0.000 0.000 0.300 448 H C 1.645 177.086 175.328 0.188 0.000 1.048 448 H CA 0.864 57.065 56.048 0.254 0.000 1.370 448 H CB 0.336 30.338 29.762 0.400 0.000 1.428 448 H HN 0.308 nan 8.280 nan 0.000 0.534 449 Q N -0.275 119.657 119.800 0.221 0.000 2.149 449 Q HA 0.209 4.549 4.340 0.000 0.000 0.221 449 Q C 0.556 176.586 176.000 0.049 0.000 0.807 449 Q CA -0.206 55.625 55.803 0.046 0.000 1.000 449 Q CB 1.881 30.560 28.738 -0.098 0.000 1.157 449 Q HN 0.315 nan 8.270 nan 0.000 0.487 450 G N 0.210 109.062 108.800 0.086 0.000 2.535 450 G HA2 0.163 4.123 3.960 0.000 0.000 0.282 450 G HA3 0.163 4.123 3.960 0.000 0.000 0.282 450 G C 0.629 175.563 174.900 0.058 0.000 1.350 450 G CA 0.013 45.153 45.100 0.067 0.000 1.039 450 G HN 0.185 nan 8.290 nan 0.000 0.509 451 T N -2.725 111.857 114.554 0.048 0.000 3.176 451 T HA 0.369 4.719 4.350 0.000 0.000 0.263 451 T C 0.310 175.043 174.700 0.055 0.000 1.021 451 T CA -0.221 61.909 62.100 0.049 0.000 0.905 451 T CB -0.041 68.849 68.868 0.036 0.000 1.057 451 T HN 0.241 nan 8.240 nan 0.000 0.558 452 K N 2.585 123.018 120.400 0.055 0.000 2.323 452 K HA 0.502 4.822 4.320 0.000 0.000 0.259 452 K C -0.294 176.347 176.600 0.068 0.000 0.947 452 K CA -1.094 55.227 56.287 0.057 0.000 0.819 452 K CB 1.294 33.812 32.500 0.030 0.000 1.109 452 K HN 0.204 nan 8.250 nan 0.000 0.429 453 I N 2.739 123.360 120.570 0.085 0.000 2.505 453 I HA 0.249 4.419 4.170 0.000 0.000 0.287 453 I C -0.141 175.990 176.117 0.023 0.000 1.104 453 I CA -0.783 60.557 61.300 0.067 0.000 1.387 453 I CB -0.934 37.140 38.000 0.122 0.000 1.404 453 I HN 0.581 nan 8.210 nan 0.000 0.528 454 I N 6.156 126.715 120.570 -0.018 0.000 2.468 454 I HA 0.654 4.824 4.170 0.000 0.000 0.285 454 I C -2.797 173.241 176.117 -0.132 0.000 1.039 454 I CA -2.192 59.094 61.300 -0.023 0.000 1.074 454 I CB 2.266 40.318 38.000 0.087 0.000 1.228 454 I HN 0.239 nan 8.210 nan 0.000 0.436 455 P HA 0.122 nan 4.420 nan 0.000 0.266 455 P C -0.957 176.259 177.300 -0.141 0.000 1.215 455 P CA -0.068 62.873 63.100 -0.265 0.000 0.763 455 P CB 0.261 31.835 31.700 -0.209 0.000 0.806 456 C N 3.705 122.941 119.300 -0.106 0.000 2.298 456 C HA 0.289 4.749 4.460 0.000 0.000 0.323 456 C C 0.099 175.086 174.990 -0.004 0.000 1.284 456 C CA -0.469 58.473 59.018 -0.127 0.000 1.577 456 C CB 0.349 28.021 27.740 -0.114 0.000 2.249 456 C HN 0.491 nan 8.230 nan 0.000 0.497 457 D N 2.580 122.954 120.400 -0.043 0.000 2.365 457 D HA 0.333 4.973 4.640 0.000 0.000 0.237 457 D C -0.452 175.874 176.300 0.045 0.000 1.190 457 D CA 0.199 54.256 54.000 0.095 0.000 0.867 457 D CB 0.338 41.239 40.800 0.169 0.000 1.050 457 D HN 0.312 nan 8.370 nan 0.000 0.491 458 F N 2.334 122.327 119.950 0.073 0.000 2.411 458 F HA 0.410 4.937 4.527 0.000 0.000 0.350 458 F C 0.736 176.754 175.800 0.363 0.000 1.114 458 F CA -0.581 57.486 58.000 0.112 0.000 1.135 458 F CB 0.799 39.593 39.000 -0.343 0.000 1.120 458 F HN 0.091 nan 8.300 nan 0.000 0.495 459 I N 2.533 123.486 120.570 0.639 0.000 2.465 459 I HA 0.760 4.930 4.170 0.000 0.000 0.291 459 I C 0.186 176.580 176.117 0.463 0.000 1.014 459 I CA -0.436 61.173 61.300 0.513 0.000 1.093 459 I CB 1.909 40.112 38.000 0.338 0.000 1.267 459 I HN 0.694 nan 8.210 nan 0.000 0.431 460 G N 4.077 112.973 108.800 0.160 0.000 2.649 460 G HA2 0.611 4.571 3.960 0.000 0.000 0.290 460 G HA3 0.611 4.571 3.960 0.000 0.000 0.290 460 G C -1.878 172.941 174.900 -0.134 0.000 1.426 460 G CA -0.450 44.524 45.100 -0.210 0.000 0.794 460 G HN 0.608 nan 8.290 nan 0.000 0.483 461 C N 0.191 119.432 119.300 -0.099 0.000 2.455 461 C HA 0.517 4.977 4.460 0.000 0.000 0.320 461 C C 1.783 176.811 174.990 0.064 0.000 1.226 461 C CA -0.542 58.473 59.018 -0.005 0.000 1.569 461 C CB 0.997 28.770 27.740 0.055 0.000 2.200 461 C HN 0.544 nan 8.230 nan 0.000 0.491 462 V N 1.795 121.750 119.914 0.068 0.000 2.295 462 V HA -0.160 3.960 4.120 0.000 0.000 0.246 462 V C 1.017 177.201 176.094 0.151 0.000 1.049 462 V CA 1.844 64.241 62.300 0.162 0.000 1.024 462 V CB -0.550 31.390 31.823 0.194 0.000 0.648 462 V HN 0.891 nan 8.190 nan 0.000 0.447 463 Q N -0.984 118.822 119.800 0.010 0.000 2.241 463 Q HA 0.523 4.863 4.340 0.000 0.000 0.262 463 Q C -0.085 175.708 176.000 -0.345 0.000 1.014 463 Q CA -0.058 55.663 55.803 -0.137 0.000 0.885 463 Q CB 1.770 30.477 28.738 -0.051 0.000 1.311 463 Q HN 0.380 nan 8.270 nan 0.000 0.461 464 T N -0.468 113.818 114.554 -0.447 0.000 2.885 464 T HA 0.192 4.542 4.350 0.000 0.000 0.285 464 T C 0.450 175.079 174.700 -0.118 0.000 1.019 464 T CA -0.603 61.272 62.100 -0.375 0.000 1.010 464 T CB 1.135 69.706 68.868 -0.494 0.000 1.022 464 T HN 0.413 nan 8.240 nan 0.000 0.466 465 Q N 2.470 122.255 119.800 -0.025 0.000 2.061 465 Q HA -0.065 4.275 4.340 0.000 0.000 0.204 465 Q C 0.848 176.836 176.000 -0.021 0.000 0.984 465 Q CA 1.866 57.659 55.803 -0.018 0.000 0.846 465 Q CB -0.763 27.984 28.738 0.015 0.000 0.902 465 Q HN 0.909 nan 8.270 nan 0.000 0.421 466 N N 0.753 119.458 118.700 0.008 0.000 2.663 466 N HA 0.093 4.833 4.740 0.000 0.000 0.250 466 N C 0.388 175.921 175.510 0.039 0.000 1.129 466 N CA -0.228 52.839 53.050 0.029 0.000 0.995 466 N CB 0.732 39.249 38.487 0.051 0.000 1.324 466 N HN -0.187 nan 8.380 nan 0.000 0.512 467 R N 1.360 121.866 120.500 0.011 0.000 2.140 467 R HA -0.071 4.269 4.340 0.000 0.000 0.250 467 R C 0.015 176.327 176.300 0.020 0.000 1.150 467 R CA 0.778 56.882 56.100 0.007 0.000 0.966 467 R CB -0.854 29.448 30.300 0.003 0.000 0.869 467 R HN 0.469 nan 8.270 nan 0.000 0.445 468 V N -0.059 119.878 119.914 0.037 0.000 2.394 468 V HA 0.698 4.818 4.120 0.000 0.000 0.282 468 V C 0.517 176.654 176.094 0.072 0.000 1.031 468 V CA 0.037 62.357 62.300 0.034 0.000 0.881 468 V CB 1.211 33.053 31.823 0.031 0.000 0.982 468 V HN 0.611 nan 8.190 nan 0.000 0.451 469 G N 3.282 112.042 108.800 -0.066 0.000 2.317 469 G HA2 0.063 4.023 3.960 0.000 0.000 0.445 469 G HA3 0.063 4.023 3.960 0.000 0.000 0.445 469 G C -0.405 174.084 174.900 -0.685 0.000 1.486 469 G CA -0.338 44.514 45.100 -0.413 0.000 0.991 469 G HN 0.489 nan 8.290 nan 0.000 0.660 470 D N -0.584 119.305 120.400 -0.852 0.000 2.366 470 D HA 0.013 4.653 4.640 0.000 0.000 0.205 470 D C 2.030 178.176 176.300 -0.256 0.000 1.022 470 D CA 0.643 54.412 54.000 -0.385 0.000 0.868 470 D CB 0.070 40.760 40.800 -0.185 0.000 0.953 470 D HN 0.579 nan 8.370 nan 0.000 0.514 471 H N 0.739 119.832 119.070 0.038 0.000 2.266 471 H HA -0.281 4.275 4.556 0.000 0.000 0.274 471 H C 1.971 177.334 175.328 0.058 0.000 1.140 471 H CA 1.818 57.889 56.048 0.038 0.000 1.186 471 H CB -1.267 28.515 29.762 0.034 0.000 1.412 471 H HN 0.431 nan 8.280 nan 0.000 0.513 472 H N 1.746 120.868 119.070 0.087 0.000 2.389 472 H HA 0.004 4.561 4.556 0.000 0.000 0.299 472 H C 2.493 177.842 175.328 0.036 0.000 1.081 472 H CA 0.991 57.076 56.048 0.062 0.000 1.345 472 H CB 0.166 29.962 29.762 0.057 0.000 1.393 472 H HN 0.285 nan 8.280 nan 0.000 0.520 473 R N -0.328 120.178 120.500 0.009 0.000 2.073 473 R HA -0.090 4.250 4.340 0.000 0.000 0.234 473 R C 2.380 178.658 176.300 -0.037 0.000 1.134 473 R CA 1.702 57.792 56.100 -0.017 0.000 0.952 473 R CB -0.415 29.899 30.300 0.023 0.000 0.850 473 R HN 0.295 nan 8.270 nan 0.000 0.433 474 T N 1.980 116.523 114.554 -0.019 0.000 2.699 474 T HA -0.169 4.181 4.350 0.000 0.000 0.268 474 T C 1.747 176.442 174.700 -0.009 0.000 1.036 474 T CA 1.318 63.416 62.100 -0.003 0.000 1.147 474 T CB -0.226 68.649 68.868 0.012 0.000 0.862 474 T HN 0.108 nan 8.240 nan 0.000 0.446 475 L N 0.389 121.587 121.223 -0.042 0.000 2.056 475 L HA 0.061 4.401 4.340 0.000 0.000 0.207 475 L C 2.111 178.954 176.870 -0.045 0.000 1.078 475 L CA 1.699 56.531 54.840 -0.013 0.000 0.749 475 L CB -0.494 41.542 42.059 -0.038 0.000 0.901 475 L HN 0.138 nan 8.230 nan 0.000 0.433 476 M N -0.719 118.746 119.600 -0.225 0.000 2.349 476 M HA -0.031 4.449 4.480 0.000 0.000 0.266 476 M C 2.506 178.690 176.300 -0.193 0.000 1.076 476 M CA 1.341 56.435 55.300 -0.344 0.000 1.126 476 M CB -1.278 31.061 32.600 -0.435 0.000 1.392 476 M HN 0.603 nan 8.290 nan 0.000 0.440 477 S N 0.926 116.630 115.700 0.006 0.000 2.383 477 S HA -0.141 4.329 4.470 0.000 0.000 0.229 477 S C 1.678 176.313 174.600 0.059 0.000 1.030 477 S CA 1.312 59.578 58.200 0.110 0.000 1.002 477 S CB -0.570 62.674 63.200 0.074 0.000 0.829 477 S HN 0.464 nan 8.310 nan 0.000 0.467 478 N N 0.772 119.491 118.700 0.033 0.000 2.188 478 N HA -0.017 4.723 4.740 0.000 0.000 0.184 478 N C 1.427 176.898 175.510 -0.065 0.000 1.018 478 N CA 1.324 54.408 53.050 0.057 0.000 0.858 478 N CB -0.508 38.082 38.487 0.171 0.000 0.989 478 N HN 0.600 nan 8.380 nan 0.000 0.426 479 F N 0.939 120.626 119.950 -0.439 0.000 2.134 479 F HA -0.093 4.434 4.527 0.000 0.000 0.299 479 F C 1.843 177.265 175.800 -0.630 0.000 1.097 479 F CA 1.344 58.832 58.000 -0.854 0.000 1.264 479 F CB -0.335 38.116 39.000 -0.916 0.000 1.001 479 F HN -0.111 nan 8.300 nan 0.000 0.479 480 F N 0.046 119.948 119.950 -0.080 0.000 2.234 480 F HA 0.006 4.533 4.527 0.000 0.000 0.296 480 F C 2.556 178.206 175.800 -0.250 0.000 1.089 480 F CA 0.560 58.459 58.000 -0.167 0.000 1.343 480 F CB -0.894 38.090 39.000 -0.028 0.000 1.040 480 F HN 0.051 nan 8.300 nan 0.000 0.498 481 A N -0.266 122.550 122.820 -0.007 0.000 1.930 481 A HA -0.154 4.166 4.320 0.000 0.000 0.217 481 A C 2.183 179.702 177.584 -0.108 0.000 1.175 481 A CA 1.064 53.072 52.037 -0.049 0.000 0.627 481 A CB -0.505 18.486 19.000 -0.015 0.000 0.815 481 A HN 0.248 nan 8.150 nan 0.000 0.443 482 Q N -0.171 119.533 119.800 -0.159 0.000 2.084 482 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 482 Q C 2.395 178.204 176.000 -0.319 0.000 0.978 482 Q CA 2.290 58.026 55.803 -0.111 0.000 0.844 482 Q CB -0.923 27.812 28.738 -0.005 0.000 0.898 482 Q HN 0.878 nan 8.270 nan 0.000 0.426 483 T N -2.039 112.153 114.554 -0.603 0.000 2.896 483 T HA -0.077 4.273 4.350 0.000 0.000 0.263 483 T C 1.722 176.251 174.700 -0.286 0.000 1.050 483 T CA 1.115 62.890 62.100 -0.543 0.000 1.140 483 T CB -0.050 68.436 68.868 -0.636 0.000 0.877 483 T HN 0.305 nan 8.240 nan 0.000 0.457 484 E N 1.602 121.662 120.200 -0.232 0.000 2.038 484 E HA -0.146 4.204 4.350 0.000 0.000 0.195 484 E C 2.506 179.022 176.600 -0.140 0.000 1.000 484 E CA 1.202 57.494 56.400 -0.181 0.000 0.803 484 E CB -0.490 29.120 29.700 -0.149 0.000 0.750 484 E HN 0.617 nan 8.360 nan 0.000 0.448 485 A N 1.125 123.886 122.820 -0.098 0.000 1.892 485 A HA -0.206 4.114 4.320 0.000 0.000 0.218 485 A C 2.255 179.840 177.584 0.001 0.000 1.188 485 A CA 1.563 53.574 52.037 -0.042 0.000 0.631 485 A CB -0.871 18.181 19.000 0.086 0.000 0.822 485 A HN 0.331 nan 8.150 nan 0.000 0.447 486 L N -1.501 119.698 121.223 -0.041 0.000 2.079 486 L HA -0.215 4.125 4.340 0.000 0.000 0.210 486 L C 2.848 179.693 176.870 -0.041 0.000 1.081 486 L CA 1.894 56.685 54.840 -0.082 0.000 0.752 486 L CB -0.371 41.589 42.059 -0.165 0.000 0.896 486 L HN 0.587 nan 8.230 nan 0.000 0.433 487 M N -0.366 119.185 119.600 -0.082 0.000 2.160 487 M HA -0.134 4.346 4.480 0.000 0.000 0.264 487 M C 2.222 178.489 176.300 -0.054 0.000 1.073 487 M CA 1.925 57.174 55.300 -0.084 0.000 1.142 487 M CB 0.126 32.636 32.600 -0.150 0.000 1.358 487 M HN 0.199 nan 8.290 nan 0.000 0.422 488 V N -1.587 118.285 119.914 -0.070 0.000 2.599 488 V HA 0.361 4.481 4.120 0.000 0.000 0.245 488 V C 1.177 177.271 176.094 -0.000 0.000 1.046 488 V CA 0.767 63.035 62.300 -0.053 0.000 1.065 488 V CB -1.369 30.399 31.823 -0.091 0.000 0.703 488 V HN 0.713 nan 8.190 nan 0.000 0.464 489 G N 0.389 109.197 108.800 0.015 0.000 2.693 489 G HA2 -0.238 3.722 3.960 0.000 0.000 0.226 489 G HA3 -0.238 3.722 3.960 0.000 0.000 0.226 489 G C -0.387 174.537 174.900 0.041 0.000 1.354 489 G CA 0.229 45.382 45.100 0.088 0.000 0.873 489 G HN 0.955 nan 8.290 nan 0.000 0.562 490 K N -0.164 120.317 120.400 0.134 0.000 2.581 490 K HA 0.389 4.709 4.320 0.000 0.000 0.249 490 K C -0.217 176.470 176.600 0.146 0.000 0.966 490 K CA -0.556 55.797 56.287 0.110 0.000 0.811 490 K CB 0.956 33.518 32.500 0.103 0.000 1.223 490 K HN 0.714 nan 8.250 nan 0.000 0.438 491 N N 1.540 120.293 118.700 0.089 0.000 2.467 491 N HA 0.132 4.872 4.740 0.000 0.000 0.262 491 N C 1.221 176.772 175.510 0.069 0.000 1.234 491 N CA 0.383 53.477 53.050 0.074 0.000 0.952 491 N CB 1.137 39.654 38.487 0.050 0.000 1.158 491 N HN 0.702 nan 8.380 nan 0.000 0.463 492 A N 1.789 124.643 122.820 0.056 0.000 1.896 492 A HA -0.297 4.023 4.320 0.000 0.000 0.220 492 A C 1.855 179.462 177.584 0.039 0.000 1.206 492 A CA 1.901 53.963 52.037 0.043 0.000 0.647 492 A CB -0.721 18.298 19.000 0.032 0.000 0.828 492 A HN 0.819 nan 8.150 nan 0.000 0.455 493 E N -0.294 119.927 120.200 0.035 0.000 2.077 493 E HA -0.146 4.204 4.350 0.000 0.000 0.193 493 E C 2.002 178.619 176.600 0.029 0.000 0.989 493 E CA 1.545 57.963 56.400 0.029 0.000 0.800 493 E CB -0.272 29.443 29.700 0.025 0.000 0.746 493 E HN 0.788 nan 8.360 nan 0.000 0.452 494 E N -0.281 119.939 120.200 0.033 0.000 2.153 494 E HA -0.141 4.209 4.350 0.000 0.000 0.194 494 E C 1.984 178.606 176.600 0.036 0.000 0.988 494 E CA 1.044 57.462 56.400 0.030 0.000 0.811 494 E CB 0.072 29.790 29.700 0.030 0.000 0.746 494 E HN 0.083 nan 8.360 nan 0.000 0.466 495 V N 0.898 120.842 119.914 0.050 0.000 2.346 495 V HA -0.198 3.922 4.120 0.000 0.000 0.244 495 V C 2.392 178.512 176.094 0.043 0.000 1.037 495 V CA 1.592 63.926 62.300 0.057 0.000 1.029 495 V CB -0.438 31.429 31.823 0.074 0.000 0.663 495 V HN 0.174 nan 8.190 nan 0.000 0.454 496 R N -0.091 120.431 120.500 0.037 0.000 2.112 496 R HA -0.266 4.074 4.340 0.000 0.000 0.242 496 R C 2.455 178.770 176.300 0.024 0.000 1.137 496 R CA 2.137 58.255 56.100 0.029 0.000 0.944 496 R CB -0.248 30.067 30.300 0.026 0.000 0.857 496 R HN 0.472 nan 8.270 nan 0.000 0.435 497 Q N 0.546 120.360 119.800 0.022 0.000 2.030 497 Q HA -0.208 4.133 4.340 0.000 0.000 0.204 497 Q C 1.992 178.002 176.000 0.016 0.000 0.986 497 Q CA 1.987 57.800 55.803 0.017 0.000 0.843 497 Q CB -0.355 28.391 28.738 0.014 0.000 0.904 497 Q HN 0.568 nan 8.270 nan 0.000 0.420 498 E N 0.337 120.549 120.200 0.020 0.000 2.038 498 E HA -0.127 4.223 4.350 0.000 0.000 0.195 498 E C 2.201 178.812 176.600 0.018 0.000 1.000 498 E CA 0.822 57.233 56.400 0.018 0.000 0.803 498 E CB -0.171 29.543 29.700 0.023 0.000 0.750 498 E HN 0.245 nan 8.360 nan 0.000 0.448 499 L N 0.643 121.881 121.223 0.024 0.000 2.191 499 L HA -0.161 4.179 4.340 0.000 0.000 0.212 499 L C 2.386 179.266 176.870 0.017 0.000 1.103 499 L CA 0.459 55.313 54.840 0.022 0.000 0.769 499 L CB -0.269 41.807 42.059 0.028 0.000 0.908 499 L HN 0.068 nan 8.230 nan 0.000 0.438 500 V N -0.234 119.690 119.914 0.016 0.000 2.323 500 V HA -0.238 3.882 4.120 0.000 0.000 0.244 500 V C 2.543 178.643 176.094 0.010 0.000 1.041 500 V CA 1.477 63.784 62.300 0.012 0.000 1.025 500 V CB -0.478 31.352 31.823 0.012 0.000 0.656 500 V HN 0.394 nan 8.190 nan 0.000 0.451 501 K N 0.234 120.640 120.400 0.009 0.000 2.360 501 K HA -0.097 4.223 4.320 0.000 0.000 0.201 501 K C 1.896 178.500 176.600 0.006 0.000 1.046 501 K CA 1.306 57.596 56.287 0.006 0.000 0.945 501 K CB -0.068 32.435 32.500 0.005 0.000 0.750 501 K HN 0.481 nan 8.250 nan 0.000 0.464 502 S N -0.546 115.159 115.700 0.008 0.000 2.575 502 S HA 0.100 4.570 4.470 0.000 0.000 0.215 502 S C 0.821 175.425 174.600 0.007 0.000 0.966 502 S CA 0.524 58.729 58.200 0.007 0.000 0.911 502 S CB 0.459 63.665 63.200 0.010 0.000 0.780 502 S HN 0.541 nan 8.310 nan 0.000 0.514 503 G N 2.306 111.110 108.800 0.007 0.000 2.273 503 G HA2 -0.320 3.640 3.960 0.000 0.000 0.280 503 G HA3 -0.320 3.640 3.960 0.000 0.000 0.280 503 G C 0.010 174.914 174.900 0.007 0.000 1.047 503 G CA 0.429 45.533 45.100 0.007 0.000 0.869 503 G HN 0.499 nan 8.290 nan 0.000 0.502 504 M N 0.745 120.351 119.600 0.010 0.000 2.250 504 M HA 0.399 4.879 4.480 0.000 0.000 0.325 504 M C 1.336 177.642 176.300 0.010 0.000 1.084 504 M CA 0.285 55.592 55.300 0.010 0.000 1.161 504 M CB 0.541 33.149 32.600 0.014 0.000 1.481 504 M HN 0.437 nan 8.290 nan 0.000 0.449 505 S N 2.692 118.397 115.700 0.009 0.000 2.599 505 S HA -0.013 4.457 4.470 0.000 0.000 0.303 505 S C 1.354 175.961 174.600 0.010 0.000 1.267 505 S CA 0.525 58.730 58.200 0.008 0.000 1.055 505 S CB 0.256 63.461 63.200 0.007 0.000 0.790 505 S HN 0.931 nan 8.310 nan 0.000 0.500 506 G N 2.937 111.743 108.800 0.010 0.000 2.501 506 G HA2 -0.195 3.765 3.960 0.000 0.000 0.220 506 G HA3 -0.195 3.765 3.960 0.000 0.000 0.220 506 G C 1.077 175.985 174.900 0.013 0.000 1.114 506 G CA 0.896 46.003 45.100 0.011 0.000 0.757 506 G HN 0.858 nan 8.290 nan 0.000 0.559 507 D N 0.179 120.587 120.400 0.012 0.000 2.566 507 D HA 0.119 4.759 4.640 0.000 0.000 0.253 507 D C 2.103 178.413 176.300 0.017 0.000 0.992 507 D CA 0.466 54.474 54.000 0.014 0.000 0.940 507 D CB 0.129 40.936 40.800 0.011 0.000 1.095 507 D HN 0.139 nan 8.370 nan 0.000 0.480 508 A N 1.208 124.037 122.820 0.016 0.000 2.426 508 A HA 0.210 4.530 4.320 0.000 0.000 0.247 508 A C 1.406 179.004 177.584 0.024 0.000 1.389 508 A CA -0.047 52.001 52.037 0.018 0.000 1.129 508 A CB -0.785 18.221 19.000 0.010 0.000 0.928 508 A HN 0.441 nan 8.150 nan 0.000 0.557 509 I N -2.598 117.988 120.570 0.027 0.000 3.673 509 I HA 0.132 4.302 4.170 0.000 0.000 0.281 509 I C 1.948 178.088 176.117 0.037 0.000 1.182 509 I CA 0.476 61.795 61.300 0.031 0.000 1.391 509 I CB 0.513 38.528 38.000 0.024 0.000 1.383 509 I HN 0.320 nan 8.210 nan 0.000 0.456 510 E N 1.638 121.858 120.200 0.032 0.000 2.106 510 E HA -0.199 4.151 4.350 0.000 0.000 0.192 510 E C 1.699 178.324 176.600 0.041 0.000 0.984 510 E CA 1.857 58.276 56.400 0.031 0.000 0.806 510 E CB -0.303 29.412 29.700 0.024 0.000 0.750 510 E HN 0.681 nan 8.360 nan 0.000 0.458 511 N N -0.741 117.990 118.700 0.052 0.000 2.446 511 N HA -0.128 4.612 4.740 0.000 0.000 0.179 511 N C 1.752 177.352 175.510 0.149 0.000 1.054 511 N CA 0.714 53.812 53.050 0.080 0.000 0.905 511 N CB -0.125 38.404 38.487 0.070 0.000 0.973 511 N HN 0.140 nan 8.380 nan 0.000 0.448 512 M N 1.164 120.838 119.600 0.122 0.000 2.334 512 M HA 0.132 4.612 4.480 0.000 0.000 0.266 512 M C 1.712 178.106 176.300 0.157 0.000 1.082 512 M CA 0.651 56.048 55.300 0.161 0.000 1.141 512 M CB -0.210 32.435 32.600 0.075 0.000 1.380 512 M HN -0.029 nan 8.290 nan 0.000 0.440 513 I N 1.749 122.370 120.570 0.086 0.000 2.091 513 I HA -0.265 3.905 4.170 0.000 0.000 0.240 513 I C -0.547 175.586 176.117 0.028 0.000 1.046 513 I CA 2.073 63.405 61.300 0.055 0.000 1.306 513 I CB -2.936 35.084 38.000 0.034 0.000 1.018 513 I HN 0.209 nan 8.210 nan 0.000 0.404 514 P HA -0.142 nan 4.420 nan 0.000 0.219 514 P C 1.464 178.634 177.300 -0.217 0.000 1.146 514 P CA 1.704 64.723 63.100 -0.135 0.000 0.808 514 P CB -0.331 31.248 31.700 -0.202 0.000 0.779 515 H N -0.088 118.960 119.070 -0.037 0.000 2.389 515 H HA 0.024 4.580 4.556 0.000 0.000 0.299 515 H C 1.546 176.813 175.328 -0.101 0.000 1.081 515 H CA 1.229 57.240 56.048 -0.061 0.000 1.345 515 H CB -0.306 29.435 29.762 -0.034 0.000 1.393 515 H HN 0.139 nan 8.280 nan 0.000 0.520 516 K N 0.998 121.427 120.400 0.048 0.000 2.417 516 K HA 0.054 4.374 4.320 0.000 0.000 0.196 516 K C 0.344 176.974 176.600 0.050 0.000 1.023 516 K CA 0.280 56.592 56.287 0.041 0.000 1.122 516 K CB 0.557 33.122 32.500 0.108 0.000 0.850 516 K HN 0.295 nan 8.250 nan 0.000 0.521 517 T N -1.332 113.203 114.554 -0.031 0.000 2.922 517 T HA 0.448 4.798 4.350 0.000 0.000 0.285 517 T C -0.228 174.439 174.700 -0.055 0.000 1.005 517 T CA -0.578 61.560 62.100 0.064 0.000 1.061 517 T CB 0.575 69.468 68.868 0.040 0.000 1.007 517 T HN -0.146 nan 8.240 nan 0.000 0.502 518 F N 0.849 120.828 119.950 0.049 0.000 2.532 518 F HA 0.447 4.974 4.527 0.000 0.000 0.321 518 F C 1.816 177.657 175.800 0.069 0.000 1.089 518 F CA -1.024 57.020 58.000 0.074 0.000 0.926 518 F CB 2.156 41.214 39.000 0.096 0.000 1.168 518 F HN 0.855 nan 8.300 nan 0.000 0.459 519 T N -0.669 114.025 114.554 0.233 0.000 2.978 519 T HA 0.393 4.743 4.350 0.000 0.000 0.262 519 T C 1.208 176.008 174.700 0.167 0.000 1.063 519 T CA 0.526 62.724 62.100 0.163 0.000 1.140 519 T CB -0.636 68.310 68.868 0.131 0.000 0.886 519 T HN 1.199 nan 8.240 nan 0.000 0.470 520 G N 0.712 109.628 108.800 0.193 0.000 2.641 520 G HA2 -0.156 3.804 3.960 0.000 0.000 0.254 520 G HA3 -0.156 3.804 3.960 0.000 0.000 0.254 520 G C 0.284 175.263 174.900 0.132 0.000 1.315 520 G CA 0.274 45.455 45.100 0.136 0.000 0.907 520 G HN 1.385 nan 8.290 nan 0.000 0.572 521 S N -1.624 114.132 115.700 0.093 0.000 3.635 521 S HA -0.226 4.244 4.470 0.000 0.000 0.328 521 S C 0.634 175.334 174.600 0.167 0.000 1.135 521 S CA 2.249 60.514 58.200 0.108 0.000 0.942 521 S CB -0.951 62.398 63.200 0.248 0.000 0.930 521 S HN 0.928 nan 8.310 nan 0.000 0.512 522 R N 1.566 122.112 120.500 0.077 0.000 2.338 522 R HA 0.481 4.821 4.340 0.000 0.000 0.317 522 R C -2.432 173.850 176.300 -0.030 0.000 0.968 522 R CA -2.032 54.105 56.100 0.060 0.000 0.849 522 R CB 1.162 31.479 30.300 0.027 0.000 1.128 522 R HN 0.221 nan 8.270 nan 0.000 0.448 523 P HA 0.084 nan 4.420 nan 0.000 0.274 523 P C -0.967 176.289 177.300 -0.073 0.000 1.237 523 P CA -0.372 62.665 63.100 -0.105 0.000 0.793 523 P CB 1.325 32.851 31.700 -0.291 0.000 0.977 524 S N 0.135 115.833 115.700 -0.003 0.000 2.548 524 S HA 0.381 4.851 4.470 0.000 0.000 0.278 524 S C -1.004 173.665 174.600 0.116 0.000 1.150 524 S CA -0.985 57.263 58.200 0.080 0.000 0.907 524 S CB 0.570 63.791 63.200 0.035 0.000 1.108 524 S HN 0.292 nan 8.310 nan 0.000 0.459 525 N N 1.650 120.453 118.700 0.172 0.000 2.438 525 N HA 0.495 5.235 4.740 0.000 0.000 0.282 525 N C -0.930 174.709 175.510 0.214 0.000 1.037 525 N CA -0.356 52.809 53.050 0.192 0.000 0.942 525 N CB 1.756 40.356 38.487 0.187 0.000 1.136 525 N HN 0.630 nan 8.380 nan 0.000 0.481 526 S N 1.796 117.616 115.700 0.201 0.000 2.433 526 S HA 0.527 4.997 4.470 0.000 0.000 0.310 526 S C 0.153 174.968 174.600 0.359 0.000 1.097 526 S CA -0.570 57.792 58.200 0.270 0.000 1.103 526 S CB 0.468 63.817 63.200 0.248 0.000 0.992 526 S HN 0.348 nan 8.310 nan 0.000 0.469 527 I N 4.398 125.232 120.570 0.439 0.000 2.389 527 I HA 0.453 4.623 4.170 0.000 0.000 0.288 527 I C -0.803 175.569 176.117 0.425 0.000 0.999 527 I CA -0.394 61.114 61.300 0.346 0.000 1.129 527 I CB 1.206 39.350 38.000 0.241 0.000 1.288 527 I HN 0.347 nan 8.210 nan 0.000 0.444 528 L N 6.462 127.961 121.223 0.459 0.000 2.323 528 L HA 0.746 5.086 4.340 0.000 0.000 0.265 528 L C -0.850 176.109 176.870 0.149 0.000 1.012 528 L CA -1.014 54.033 54.840 0.345 0.000 0.820 528 L CB 2.533 44.889 42.059 0.496 0.000 1.334 528 L HN 0.215 nan 8.230 nan 0.000 0.427 529 V N 0.664 120.499 119.914 -0.132 0.000 2.925 529 V HA 0.238 4.358 4.120 0.000 0.000 0.311 529 V C 0.319 176.016 176.094 -0.662 0.000 1.104 529 V CA -0.458 61.573 62.300 -0.449 0.000 0.954 529 V CB 2.197 33.920 31.823 -0.167 0.000 1.022 529 V HN 0.829 nan 8.190 nan 0.000 0.427 530 N N 2.319 120.410 118.700 -1.014 0.000 2.142 530 N HA 0.093 4.833 4.740 0.000 0.000 0.186 530 N C 0.117 175.526 175.510 -0.168 0.000 1.023 530 N CA 1.591 54.360 53.050 -0.469 0.000 0.852 530 N CB 0.142 38.516 38.487 -0.188 0.000 0.998 530 N HN 0.920 nan 8.380 nan 0.000 0.424 531 A N -0.847 121.886 122.820 -0.145 0.000 2.547 531 A HA 0.483 4.803 4.320 0.000 0.000 0.297 531 A C -1.600 175.977 177.584 -0.011 0.000 1.056 531 A CA -0.680 51.338 52.037 -0.033 0.000 0.688 531 A CB 0.767 19.775 19.000 0.014 0.000 1.282 531 A HN 0.167 nan 8.150 nan 0.000 0.400 532 L N 2.998 124.252 121.223 0.053 0.000 2.423 532 L HA 0.369 4.709 4.340 0.000 0.000 0.249 532 L C 0.873 177.780 176.870 0.062 0.000 1.276 532 L CA 0.511 55.388 54.840 0.062 0.000 1.199 532 L CB -0.593 41.532 42.059 0.111 0.000 1.407 532 L HN 0.817 nan 8.230 nan 0.000 0.410 533 T N 0.081 114.597 114.554 -0.064 0.000 2.862 533 T HA 0.424 4.774 4.350 0.000 0.000 0.276 533 T C -1.644 172.799 174.700 -0.428 0.000 0.974 533 T CA -1.729 60.138 62.100 -0.389 0.000 0.966 533 T CB 0.874 69.594 68.868 -0.247 0.000 1.072 533 T HN 0.136 nan 8.240 nan 0.000 0.538 534 P HA -0.142 nan 4.420 nan 0.000 0.216 534 P C 1.628 178.927 177.300 -0.002 0.000 1.154 534 P CA 1.172 64.095 63.100 -0.296 0.000 0.865 534 P CB 0.054 31.560 31.700 -0.324 0.000 0.789 535 R N -0.607 119.855 120.500 -0.063 0.000 2.093 535 R HA -0.000 4.340 4.340 0.000 0.000 0.224 535 R C 2.064 178.372 176.300 0.012 0.000 1.101 535 R CA 1.312 57.413 56.100 0.002 0.000 0.979 535 R CB -0.689 29.599 30.300 -0.020 0.000 0.877 535 R HN 0.046 nan 8.270 nan 0.000 0.441 536 A N 1.343 124.153 122.820 -0.018 0.000 1.902 536 A HA -0.160 4.160 4.320 0.000 0.000 0.217 536 A C 2.023 179.631 177.584 0.039 0.000 1.181 536 A CA 1.162 53.193 52.037 -0.010 0.000 0.623 536 A CB -0.609 18.366 19.000 -0.043 0.000 0.818 536 A HN 0.377 nan 8.150 nan 0.000 0.443 537 L N 0.187 121.449 121.223 0.066 0.000 2.079 537 L HA -0.068 4.272 4.340 0.000 0.000 0.210 537 L C 2.349 179.363 176.870 0.240 0.000 1.081 537 L CA 2.308 57.230 54.840 0.137 0.000 0.752 537 L CB -0.940 41.176 42.059 0.095 0.000 0.896 537 L HN 0.307 nan 8.230 nan 0.000 0.433 538 G N -1.552 107.396 108.800 0.248 0.000 2.421 538 G HA2 -0.141 3.819 3.960 0.000 0.000 0.217 538 G HA3 -0.141 3.819 3.960 0.000 0.000 0.217 538 G C 1.560 176.503 174.900 0.071 0.000 1.143 538 G CA 0.634 45.775 45.100 0.067 0.000 0.784 538 G HN 0.611 nan 8.290 nan 0.000 0.541 539 A N 0.770 123.613 122.820 0.039 0.000 1.897 539 A HA 0.145 4.465 4.320 0.000 0.000 0.215 539 A C 2.349 179.950 177.584 0.028 0.000 1.181 539 A CA 0.964 53.005 52.037 0.006 0.000 0.620 539 A CB -0.297 18.700 19.000 -0.005 0.000 0.821 539 A HN 0.340 nan 8.150 nan 0.000 0.443 540 I N 0.216 120.828 120.570 0.070 0.000 2.163 540 I HA -0.256 3.914 4.170 0.000 0.000 0.243 540 I C 2.118 178.349 176.117 0.190 0.000 1.085 540 I CA 0.993 62.355 61.300 0.104 0.000 1.347 540 I CB -0.308 37.779 38.000 0.144 0.000 1.044 540 I HN 0.244 nan 8.210 nan 0.000 0.408 541 I N 1.138 121.848 120.570 0.234 0.000 2.179 541 I HA -0.233 3.937 4.170 0.000 0.000 0.242 541 I C 2.861 179.141 176.117 0.272 0.000 1.088 541 I CA 1.684 63.174 61.300 0.317 0.000 1.357 541 I CB -1.954 36.256 38.000 0.351 0.000 1.051 541 I HN 0.161 nan 8.210 nan 0.000 0.409 542 A N 0.768 123.684 122.820 0.159 0.000 1.940 542 A HA -0.249 4.071 4.320 0.000 0.000 0.219 542 A C 2.466 179.947 177.584 -0.170 0.000 1.176 542 A CA 1.989 53.969 52.037 -0.095 0.000 0.631 542 A CB -0.698 18.189 19.000 -0.188 0.000 0.814 542 A HN 0.510 nan 8.150 nan 0.000 0.446 543 M N -1.841 117.713 119.600 -0.076 0.000 2.086 543 M HA -0.191 4.289 4.480 0.000 0.000 0.261 543 M C 1.979 178.174 176.300 -0.174 0.000 1.067 543 M CA 2.011 57.220 55.300 -0.152 0.000 1.116 543 M CB -0.317 32.147 32.600 -0.227 0.000 1.348 543 M HN 0.427 nan 8.290 nan 0.000 0.407 544 Y N 1.125 121.423 120.300 -0.004 0.000 2.242 544 Y HA -0.140 4.410 4.550 0.000 0.000 0.291 544 Y C 2.284 178.187 175.900 0.005 0.000 1.137 544 Y CA 1.764 59.872 58.100 0.013 0.000 1.181 544 Y CB -0.534 37.954 38.460 0.047 0.000 0.989 544 Y HN 0.392 nan 8.280 nan 0.000 0.527 545 E N -0.964 119.313 120.200 0.128 0.000 2.118 545 E HA -0.246 4.104 4.350 0.000 0.000 0.195 545 E C 1.588 178.224 176.600 0.059 0.000 0.992 545 E CA 1.754 58.223 56.400 0.116 0.000 0.804 545 E CB -0.262 29.479 29.700 0.069 0.000 0.741 545 E HN 0.705 nan 8.360 nan 0.000 0.458 546 H N -0.274 118.780 119.070 -0.026 0.000 2.497 546 H HA 0.062 4.618 4.556 0.000 0.000 0.282 546 H C 2.038 177.232 175.328 -0.224 0.000 1.003 546 H CA 0.540 56.399 56.048 -0.316 0.000 1.307 546 H CB 0.269 29.416 29.762 -1.025 0.000 1.437 546 H HN -0.058 nan 8.280 nan 0.000 0.544 547 K N 1.162 121.552 120.400 -0.017 0.000 2.063 547 K HA -0.145 4.175 4.320 0.000 0.000 0.208 547 K C 1.884 178.518 176.600 0.058 0.000 1.048 547 K CA 1.393 57.690 56.287 0.016 0.000 0.928 547 K CB -0.120 32.405 32.500 0.043 0.000 0.713 547 K HN 0.117 nan 8.250 nan 0.000 0.442 548 V N 2.060 122.042 119.914 0.113 0.000 2.307 548 V HA -0.247 3.873 4.120 0.000 0.000 0.245 548 V C 2.391 178.557 176.094 0.120 0.000 1.045 548 V CA 1.657 64.028 62.300 0.117 0.000 1.024 548 V CB -0.388 31.530 31.823 0.158 0.000 0.651 548 V HN 0.421 nan 8.190 nan 0.000 0.449 549 L N -0.242 121.123 121.223 0.236 0.000 2.021 549 L HA -0.230 4.110 4.340 0.000 0.000 0.215 549 L C 2.362 179.376 176.870 0.240 0.000 1.074 549 L CA 1.897 56.953 54.840 0.360 0.000 0.760 549 L CB -0.191 42.170 42.059 0.503 0.000 0.889 549 L HN 0.180 nan 8.230 nan 0.000 0.433 550 V N -0.296 119.706 119.914 0.147 0.000 2.323 550 V HA -0.277 3.843 4.120 0.000 0.000 0.244 550 V C 2.466 178.488 176.094 -0.120 0.000 1.041 550 V CA 1.963 64.314 62.300 0.086 0.000 1.025 550 V CB -0.530 31.352 31.823 0.098 0.000 0.656 550 V HN 0.541 nan 8.190 nan 0.000 0.451 551 Q N 0.092 119.740 119.800 -0.254 0.000 2.084 551 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 551 Q C 2.347 177.792 176.000 -0.926 0.000 0.978 551 Q CA 1.760 57.110 55.803 -0.754 0.000 0.844 551 Q CB -0.536 27.710 28.738 -0.819 0.000 0.898 551 Q HN 0.711 nan 8.270 nan 0.000 0.426 552 G N 0.491 109.084 108.800 -0.346 0.000 2.421 552 G HA2 -0.124 3.836 3.960 0.000 0.000 0.217 552 G HA3 -0.124 3.836 3.960 0.000 0.000 0.217 552 G C 1.475 176.319 174.900 -0.093 0.000 1.143 552 G CA 0.727 45.794 45.100 -0.055 0.000 0.784 552 G HN 0.394 nan 8.290 nan 0.000 0.541 553 A N 1.003 123.724 122.820 -0.165 0.000 1.877 553 A HA 0.051 4.371 4.320 0.000 0.000 0.216 553 A C 2.364 179.842 177.584 -0.177 0.000 1.186 553 A CA 1.209 53.086 52.037 -0.267 0.000 0.620 553 A CB -0.393 18.502 19.000 -0.175 0.000 0.822 553 A HN 0.342 nan 8.150 nan 0.000 0.443 554 I N -1.658 118.804 120.570 -0.180 0.000 2.264 554 I HA -0.276 3.894 4.170 0.000 0.000 0.248 554 I C 2.176 178.282 176.117 -0.019 0.000 1.111 554 I CA 1.009 62.234 61.300 -0.124 0.000 1.382 554 I CB -0.287 37.600 38.000 -0.188 0.000 1.060 554 I HN 0.514 nan 8.210 nan 0.000 0.418 555 W N 0.524 121.812 121.300 -0.021 0.000 2.678 555 W HA 0.187 4.847 4.660 0.000 0.000 0.256 555 W C 1.880 178.342 176.519 -0.096 0.000 1.280 555 W CA 1.055 58.360 57.345 -0.066 0.000 1.345 555 W CB -1.154 28.281 29.460 -0.040 0.000 1.118 555 W HN 0.389 nan 8.180 nan 0.000 0.629 556 G N 0.851 109.699 108.800 0.080 0.000 2.176 556 G HA2 -0.297 3.663 3.960 0.000 0.000 0.253 556 G HA3 -0.297 3.663 3.960 0.000 0.000 0.253 556 G C 0.312 175.224 174.900 0.020 0.000 0.979 556 G CA 0.181 45.285 45.100 0.006 0.000 0.641 556 G HN 0.316 nan 8.290 nan 0.000 0.530 557 I N -1.898 118.716 120.570 0.074 0.000 2.834 557 I HA 0.526 4.696 4.170 0.000 0.000 0.305 557 I C 0.345 176.495 176.117 0.056 0.000 1.008 557 I CA -0.990 60.356 61.300 0.078 0.000 1.273 557 I CB 1.083 39.160 38.000 0.128 0.000 1.432 557 I HN 0.087 nan 8.210 nan 0.000 0.557 558 N N 2.262 121.015 118.700 0.088 0.000 2.437 558 N HA 0.135 4.875 4.740 0.000 0.000 0.243 558 N C 0.250 175.774 175.510 0.024 0.000 1.041 558 N CA -0.309 52.816 53.050 0.124 0.000 0.940 558 N CB 0.821 39.423 38.487 0.192 0.000 1.133 558 N HN 0.666 nan 8.380 nan 0.000 0.506 559 S N 2.758 118.355 115.700 -0.172 0.000 2.555 559 S HA -0.031 4.439 4.470 0.000 0.000 0.230 559 S C 0.099 174.316 174.600 -0.638 0.000 0.978 559 S CA 0.541 58.443 58.200 -0.497 0.000 0.934 559 S CB -0.038 62.720 63.200 -0.736 0.000 0.766 559 S HN 0.641 nan 8.310 nan 0.000 0.533 560 Y N 0.849 121.252 120.300 0.172 0.000 2.527 560 Y HA 0.260 4.810 4.550 0.000 0.000 0.247 560 Y C 0.374 176.323 175.900 0.083 0.000 1.138 560 Y CA -1.433 56.757 58.100 0.149 0.000 1.228 560 Y CB 0.073 38.615 38.460 0.137 0.000 1.252 560 Y HN 0.217 nan 8.280 nan 0.000 0.531 561 D N -0.154 120.305 120.400 0.098 0.000 2.487 561 D HA 0.322 4.962 4.640 0.000 0.000 0.262 561 D C 0.009 176.211 176.300 -0.162 0.000 1.130 561 D CA -0.747 53.197 54.000 -0.095 0.000 1.038 561 D CB 0.763 41.505 40.800 -0.097 0.000 1.142 561 D HN 0.042 nan 8.370 nan 0.000 0.575 562 Q N -0.455 119.113 119.800 -0.388 0.000 3.576 562 Q HA 0.121 4.461 4.340 0.000 0.000 0.249 562 Q C -0.988 174.868 176.000 -0.239 0.000 0.771 562 Q CA -0.537 55.131 55.803 -0.224 0.000 0.897 562 Q CB -1.208 27.448 28.738 -0.137 0.000 1.551 562 Q HN 0.755 nan 8.270 nan 0.000 0.388 563 W N 0.716 122.041 121.300 0.041 0.000 2.800 563 W HA 0.210 4.870 4.660 0.000 0.000 0.249 563 W C 1.912 178.443 176.519 0.020 0.000 1.294 563 W CA 0.622 57.986 57.345 0.033 0.000 1.402 563 W CB 0.356 29.836 29.460 0.032 0.000 1.126 563 W HN 0.622 nan 8.180 nan 0.000 0.652 564 G N 0.694 109.600 108.800 0.178 0.000 2.535 564 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 564 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 564 G C 1.408 176.353 174.900 0.075 0.000 1.122 564 G CA 1.382 46.547 45.100 0.109 0.000 0.769 564 G HN 0.312 nan 8.290 nan 0.000 0.549 565 V N -2.486 117.468 119.914 0.067 0.000 3.354 565 V HA 0.194 4.314 4.120 0.000 0.000 0.258 565 V C 1.975 178.108 176.094 0.065 0.000 1.159 565 V CA 1.353 63.680 62.300 0.045 0.000 1.125 565 V CB -0.060 31.774 31.823 0.018 0.000 0.774 565 V HN 0.365 nan 8.190 nan 0.000 0.464 566 E N 0.666 120.933 120.200 0.112 0.000 2.085 566 E HA -0.161 4.189 4.350 0.000 0.000 0.194 566 E C 2.192 178.841 176.600 0.081 0.000 0.994 566 E CA 1.788 58.261 56.400 0.121 0.000 0.801 566 E CB -0.165 29.647 29.700 0.187 0.000 0.743 566 E HN 0.602 nan 8.360 nan 0.000 0.453 567 L N 0.426 121.691 121.223 0.071 0.000 2.017 567 L HA -0.123 4.217 4.340 0.000 0.000 0.208 567 L C 2.424 179.316 176.870 0.037 0.000 1.073 567 L CA 1.638 56.507 54.840 0.049 0.000 0.745 567 L CB -0.678 41.405 42.059 0.040 0.000 0.894 567 L HN 0.224 nan 8.230 nan 0.000 0.432 568 G N -0.448 108.371 108.800 0.031 0.000 2.422 568 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 568 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 568 G C 1.657 176.568 174.900 0.019 0.000 1.146 568 G CA 0.591 45.702 45.100 0.018 0.000 0.769 568 G HN 0.327 nan 8.290 nan 0.000 0.547 569 K N -0.178 120.239 120.400 0.027 0.000 2.057 569 K HA 0.002 4.322 4.320 0.000 0.000 0.207 569 K C 2.585 179.202 176.600 0.029 0.000 1.049 569 K CA 1.036 57.339 56.287 0.026 0.000 0.931 569 K CB -0.228 32.292 32.500 0.034 0.000 0.714 569 K HN 0.226 nan 8.250 nan 0.000 0.440 570 V N 1.827 121.763 119.914 0.036 0.000 2.379 570 V HA -0.192 3.928 4.120 0.000 0.000 0.245 570 V C 2.156 178.271 176.094 0.035 0.000 1.044 570 V CA 1.447 63.768 62.300 0.035 0.000 1.036 570 V CB -0.353 31.492 31.823 0.037 0.000 0.664 570 V HN 0.272 nan 8.190 nan 0.000 0.453 571 L N 0.048 121.293 121.223 0.037 0.000 2.141 571 L HA -0.085 4.255 4.340 0.000 0.000 0.209 571 L C 2.701 179.594 176.870 0.040 0.000 1.094 571 L CA 1.289 56.159 54.840 0.051 0.000 0.763 571 L CB -0.808 41.282 42.059 0.050 0.000 0.908 571 L HN 0.360 nan 8.230 nan 0.000 0.437 572 A N 0.858 123.688 122.820 0.016 0.000 1.898 572 A HA -0.214 4.106 4.320 0.000 0.000 0.216 572 A C 2.709 180.298 177.584 0.008 0.000 1.181 572 A CA 2.236 54.272 52.037 -0.001 0.000 0.620 572 A CB -0.675 18.318 19.000 -0.011 0.000 0.819 572 A HN 0.327 nan 8.150 nan 0.000 0.442 573 K N -0.203 120.207 120.400 0.017 0.000 2.074 573 K HA -0.178 4.142 4.320 0.000 0.000 0.209 573 K C 2.374 178.990 176.600 0.027 0.000 1.048 573 K CA 2.427 58.726 56.287 0.019 0.000 0.926 573 K CB -1.392 31.121 32.500 0.021 0.000 0.713 573 K HN 0.792 nan 8.250 nan 0.000 0.444 574 S N -0.477 115.247 115.700 0.039 0.000 2.461 574 S HA 0.043 4.513 4.470 0.000 0.000 0.228 574 S C 1.998 176.647 174.600 0.082 0.000 1.005 574 S CA 0.870 59.102 58.200 0.053 0.000 0.942 574 S CB -0.352 62.880 63.200 0.053 0.000 0.776 574 S HN 0.519 nan 8.310 nan 0.000 0.514 575 I N 0.587 121.200 120.570 0.071 0.000 2.585 575 I HA 0.037 4.207 4.170 0.000 0.000 0.254 575 I C 2.352 178.477 176.117 0.013 0.000 1.129 575 I CA 0.322 61.652 61.300 0.051 0.000 1.455 575 I CB -0.273 37.712 38.000 -0.025 0.000 1.111 575 I HN 0.301 nan 8.210 nan 0.000 0.433 576 L N 2.182 123.405 121.223 0.001 0.000 1.978 576 L HA -0.206 4.134 4.340 0.000 0.000 0.218 576 L C -0.214 176.668 176.870 0.021 0.000 1.075 576 L CA 2.305 57.143 54.840 -0.004 0.000 0.767 576 L CB -1.564 40.496 42.059 0.001 0.000 0.890 576 L HN 0.167 nan 8.230 nan 0.000 0.434 577 P HA -0.199 nan 4.420 nan 0.000 0.219 577 P C 1.120 178.452 177.300 0.053 0.000 1.146 577 P CA 1.392 64.516 63.100 0.040 0.000 0.808 577 P CB -0.159 31.561 31.700 0.034 0.000 0.779 578 Q N -0.610 119.225 119.800 0.060 0.000 2.436 578 Q HA 0.035 4.375 4.340 0.000 0.000 0.209 578 Q C 0.756 176.809 176.000 0.089 0.000 0.965 578 Q CA 0.274 56.122 55.803 0.076 0.000 0.910 578 Q CB -0.337 28.461 28.738 0.101 0.000 0.980 578 Q HN 0.351 nan 8.270 nan 0.000 0.491 579 L N 3.362 124.636 121.223 0.085 0.000 2.404 579 L HA 0.167 4.507 4.340 0.000 0.000 0.277 579 L C -0.110 176.884 176.870 0.205 0.000 1.184 579 L CA 0.029 54.965 54.840 0.160 0.000 1.013 579 L CB -0.464 41.653 42.059 0.096 0.000 1.318 579 L HN 0.094 nan 8.230 nan 0.000 0.435 580 K N 0.377 120.890 120.400 0.189 0.000 2.532 580 K HA 0.365 4.685 4.320 0.000 0.000 0.265 580 K C -0.689 175.983 176.600 0.121 0.000 0.948 580 K CA -0.794 55.592 56.287 0.164 0.000 0.842 580 K CB 1.689 34.256 32.500 0.113 0.000 1.392 580 K HN -0.047 nan 8.250 nan 0.000 0.436 581 S N 0.498 116.262 115.700 0.107 0.000 2.629 581 S HA 0.247 4.717 4.470 0.000 0.000 0.302 581 S C 1.266 175.857 174.600 -0.016 0.000 1.244 581 S CA 1.780 59.964 58.200 -0.027 0.000 1.098 581 S CB -0.927 62.246 63.200 -0.045 0.000 0.858 581 S HN 1.032 nan 8.310 nan 0.000 0.502 582 G N 4.290 113.068 108.800 -0.036 0.000 2.225 582 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 582 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 582 G C 0.223 175.129 174.900 0.011 0.000 0.988 582 G CA 0.205 45.295 45.100 -0.018 0.000 0.625 582 G HN 0.761 nan 8.290 nan 0.000 0.527 583 N N 0.689 119.408 118.700 0.033 0.000 2.447 583 N HA 0.267 5.007 4.740 0.000 0.000 0.263 583 N C -0.453 175.088 175.510 0.050 0.000 1.226 583 N CA -0.063 53.015 53.050 0.046 0.000 0.906 583 N CB 0.072 38.598 38.487 0.065 0.000 1.060 583 N HN 0.071 nan 8.380 nan 0.000 0.468 584 I N 4.330 124.926 120.570 0.043 0.000 2.354 584 I HA 0.170 4.340 4.170 0.000 0.000 0.292 584 I C 0.295 176.446 176.117 0.056 0.000 0.989 584 I CA -1.022 60.306 61.300 0.047 0.000 1.188 584 I CB 1.107 39.127 38.000 0.033 0.000 1.342 584 I HN 0.207 nan 8.210 nan 0.000 0.457 585 V N 3.362 123.320 119.914 0.074 0.000 2.532 585 V HA 0.727 4.847 4.120 0.000 0.000 0.295 585 V C 0.408 176.557 176.094 0.092 0.000 1.041 585 V CA -0.307 62.051 62.300 0.097 0.000 0.926 585 V CB 1.498 33.420 31.823 0.166 0.000 0.992 585 V HN 0.775 nan 8.190 nan 0.000 0.457 586 S N 1.017 116.758 115.700 0.068 0.000 2.666 586 S HA 0.141 4.611 4.470 0.000 0.000 0.239 586 S C 0.782 175.399 174.600 0.029 0.000 1.031 586 S CA 0.257 58.488 58.200 0.052 0.000 1.015 586 S CB -0.122 63.095 63.200 0.028 0.000 0.981 586 S HN 0.962 nan 8.310 nan 0.000 0.547 587 D N 0.884 121.272 120.400 -0.020 0.000 2.339 587 D HA -0.014 4.626 4.640 0.000 0.000 0.217 587 D C 0.406 176.553 176.300 -0.255 0.000 1.050 587 D CA 0.152 54.061 54.000 -0.153 0.000 0.856 587 D CB -0.180 40.483 40.800 -0.230 0.000 0.922 587 D HN 0.450 nan 8.370 nan 0.000 0.518 588 H N 0.924 119.995 119.070 0.002 0.000 2.585 588 H HA 0.246 4.802 4.556 0.000 0.000 0.338 588 H C -0.073 175.256 175.328 0.001 0.000 1.295 588 H CA -0.697 55.351 56.048 0.000 0.000 1.356 588 H CB 0.678 30.439 29.762 -0.001 0.000 1.736 588 H HN 0.074 nan 8.280 nan 0.000 0.629 589 D N -0.947 119.542 120.400 0.149 0.000 2.362 589 D HA 0.012 4.652 4.640 0.000 0.000 0.238 589 D C 1.468 177.808 176.300 0.067 0.000 1.212 589 D CA -0.002 54.045 54.000 0.078 0.000 0.902 589 D CB 0.459 41.290 40.800 0.052 0.000 1.180 589 D HN 0.615 nan 8.370 nan 0.000 0.445 590 G N -0.013 108.811 108.800 0.040 0.000 2.440 590 G HA2 -0.340 3.620 3.960 0.000 0.000 0.218 590 G HA3 -0.340 3.620 3.960 0.000 0.000 0.218 590 G C 1.568 176.480 174.900 0.020 0.000 1.154 590 G CA 0.942 46.060 45.100 0.030 0.000 0.767 590 G HN 0.519 nan 8.290 nan 0.000 0.552 591 S N -0.197 115.509 115.700 0.011 0.000 2.345 591 S HA -0.116 4.354 4.470 0.000 0.000 0.220 591 S C 2.557 177.146 174.600 -0.018 0.000 1.031 591 S CA 2.151 60.350 58.200 -0.002 0.000 0.996 591 S CB -0.711 62.486 63.200 -0.005 0.000 0.882 591 S HN 0.367 nan 8.310 nan 0.000 0.445 592 T N 2.290 116.824 114.554 -0.032 0.000 2.699 592 T HA -0.116 4.234 4.350 0.000 0.000 0.268 592 T C 1.596 176.227 174.700 -0.115 0.000 1.036 592 T CA 1.879 63.915 62.100 -0.106 0.000 1.147 592 T CB -0.702 68.076 68.868 -0.150 0.000 0.862 592 T HN 0.567 nan 8.240 nan 0.000 0.446 593 N N 0.258 118.946 118.700 -0.020 0.000 2.080 593 N HA -0.030 4.710 4.740 0.000 0.000 0.189 593 N C 2.298 177.818 175.510 0.017 0.000 1.036 593 N CA 0.840 53.907 53.050 0.028 0.000 0.846 593 N CB -0.325 38.205 38.487 0.071 0.000 1.015 593 N HN 0.390 nan 8.380 nan 0.000 0.423 594 G N 1.682 110.490 108.800 0.014 0.000 2.514 594 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 594 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 594 G C 1.340 176.252 174.900 0.019 0.000 1.198 594 G CA 0.630 45.740 45.100 0.017 0.000 0.780 594 G HN 0.051 nan 8.290 nan 0.000 0.565 595 L N 0.723 121.949 121.223 0.004 0.000 2.042 595 L HA 0.008 4.348 4.340 0.000 0.000 0.210 595 L C 2.900 179.792 176.870 0.036 0.000 1.076 595 L CA 1.035 55.883 54.840 0.012 0.000 0.749 595 L CB -0.926 41.120 42.059 -0.021 0.000 0.893 595 L HN 0.256 nan 8.230 nan 0.000 0.432 596 I N -0.617 119.952 120.570 -0.001 0.000 2.315 596 I HA -0.291 3.879 4.170 0.000 0.000 0.248 596 I C 1.988 178.171 176.117 0.110 0.000 1.117 596 I CA 0.879 62.191 61.300 0.021 0.000 1.404 596 I CB -0.246 37.725 38.000 -0.049 0.000 1.071 596 I HN 0.334 nan 8.210 nan 0.000 0.419 597 N N 0.567 119.311 118.700 0.073 0.000 2.216 597 N HA -0.086 4.654 4.740 0.000 0.000 0.183 597 N C 1.861 177.412 175.510 0.067 0.000 1.017 597 N CA 1.230 54.321 53.050 0.069 0.000 0.861 597 N CB -0.202 38.312 38.487 0.045 0.000 0.986 597 N HN 0.281 nan 8.380 nan 0.000 0.428 598 M N -0.725 118.916 119.600 0.069 0.000 2.117 598 M HA -0.135 4.345 4.480 0.000 0.000 0.262 598 M C 1.790 178.137 176.300 0.078 0.000 1.065 598 M CA 1.270 56.604 55.300 0.057 0.000 1.114 598 M CB -0.275 32.358 32.600 0.056 0.000 1.361 598 M HN 0.081 nan 8.290 nan 0.000 0.408 599 F N 1.364 121.307 119.950 -0.012 0.000 2.102 599 F HA -0.234 4.293 4.527 0.000 0.000 0.298 599 F C 2.059 177.854 175.800 -0.009 0.000 1.105 599 F CA 1.616 59.613 58.000 -0.005 0.000 1.239 599 F CB -0.285 38.714 39.000 -0.001 0.000 0.991 599 F HN 0.153 nan 8.300 nan 0.000 0.474 600 N N -0.266 118.526 118.700 0.154 0.000 2.244 600 N HA -0.137 4.603 4.740 0.000 0.000 0.183 600 N C 1.978 177.436 175.510 -0.087 0.000 1.016 600 N CA 1.896 54.980 53.050 0.058 0.000 0.866 600 N CB -0.823 37.733 38.487 0.117 0.000 0.980 600 N HN 0.502 nan 8.380 nan 0.000 0.430 601 T N -2.112 112.400 114.554 -0.070 0.000 3.088 601 T HA 0.159 4.509 4.350 0.000 0.000 0.259 601 T C 1.598 176.213 174.700 -0.142 0.000 1.122 601 T CA 0.420 62.466 62.100 -0.091 0.000 1.095 601 T CB 0.261 69.102 68.868 -0.046 0.000 0.930 601 T HN 0.118 nan 8.240 nan 0.000 0.508 602 R N 0.248 120.633 120.500 -0.191 0.000 2.394 602 R HA 0.554 4.894 4.340 0.000 0.000 0.220 602 R C 1.136 177.267 176.300 -0.283 0.000 0.887 602 R CA 0.189 56.170 56.100 -0.197 0.000 1.034 602 R CB 0.369 30.589 30.300 -0.134 0.000 1.179 602 R HN 0.387 nan 8.270 nan 0.000 0.561 603 A N 2.501 125.046 122.820 -0.459 0.000 2.386 603 A HA 0.130 4.450 4.320 0.000 0.000 0.246 603 A C 0.120 177.466 177.584 -0.395 0.000 1.089 603 A CA -0.282 51.478 52.037 -0.461 0.000 0.790 603 A CB -0.128 18.428 19.000 -0.739 0.000 1.042 603 A HN 0.498 nan 8.150 nan 0.000 0.497 604 H N 0.000 118.971 119.070 -0.165 0.000 2.539 604 H HA 0.000 4.556 4.556 0.000 0.000 0.296 604 H CA 0.000 55.994 56.048 -0.090 0.000 1.023 604 H CB 0.000 29.727 29.762 -0.059 0.000 1.292 604 H HN 0.000 nan 8.280 nan 0.000 0.496