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 1ud5_1_A DATA FIRST_RESID 1 DATA SEQUENCE DGLNGTMMQY YEWHLENDGQ HWNRLHDDAA ALSDAGITAI WIPPAYKGNS DATA SEQUENCE QADVGYGAYD LYDLGEFNQK GTVRTKYGTK AQLERAIGSL KSNDINVYGD DATA SEQUENCE VVMNHKMGAD FTEAVQAVQV NPTNRWQDIS GAYTIDAWTG FDFSGRNNAY DATA SEQUENCE SDFKWRWFHF NGVDWDQRYQ ENHIFRFANT NWNWRVDEEN GNYDYLLGSN DATA SEQUENCE IDFSHPEVQD ELKDWGSWFT DELDLDGYRL DAIKHIPFWY TSDWVRHQRN DATA SEQUENCE EADQDLFVVG EYWKDDVGAL EFYLDEMNWE MSLFDVPLNY NFYRASQQGG DATA SEQUENCE SYDMRNILRG SLVEAHPMHA VTFVDNHDTQ PGESLESWVA DWFKPLAYAT DATA SEQUENCE ILTREGGYPN VFYGDYYGIP NDNISAKKDM IDELLDARQN YAYGTQHDYF DATA SEQUENCE DHWDVVGWTR EGSSSRPNSG LATIMSNGPG GSKWMYVGRQ NAGQTWTDLT DATA SEQUENCE GNNGASVTIN GDGWGEFFTN GGSVSVYVNQ 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.280 176.300 -0.034 0.000 2.045 1 D CA 0.000 53.980 54.000 -0.033 0.000 0.868 1 D CB 0.000 40.782 40.800 -0.031 0.000 0.688 2 G N -1.022 107.766 108.800 -0.020 0.000 2.460 2 G HA2 0.424 4.384 3.960 -0.000 0.000 0.207 2 G HA3 0.424 4.384 3.960 -0.000 0.000 0.207 2 G C -0.903 174.020 174.900 0.038 0.000 1.170 2 G CA 0.681 45.782 45.100 0.001 0.000 1.151 2 G HN 1.348 nan 8.290 nan 0.000 0.575 3 L N -3.288 118.000 121.223 0.108 0.000 3.209 3 L HA 0.796 5.136 4.340 -0.000 0.000 0.226 3 L C -0.024 176.894 176.870 0.080 0.000 1.215 3 L CA 0.248 55.129 54.840 0.067 0.000 1.507 3 L CB -1.101 40.975 42.059 0.029 0.000 1.630 3 L HN 1.539 nan 8.230 nan 0.000 0.490 4 N N 0.946 119.636 118.700 -0.018 0.000 2.471 4 N HA 0.048 4.787 4.740 -0.000 0.000 0.286 4 N C -0.141 175.346 175.510 -0.039 0.000 1.327 4 N CA 1.181 54.180 53.050 -0.084 0.000 0.657 4 N CB -1.138 37.264 38.487 -0.141 0.000 0.901 4 N HN 1.207 nan 8.380 nan 0.000 0.531 5 G N 0.415 109.163 108.800 -0.088 0.000 2.412 5 G HA2 0.686 4.646 3.960 -0.000 0.000 0.318 5 G HA3 0.686 4.646 3.960 -0.000 0.000 0.318 5 G C -0.460 174.556 174.900 0.193 0.000 1.146 5 G CA -0.221 44.873 45.100 -0.011 0.000 0.882 5 G HN 0.234 nan 8.290 nan 0.000 0.501 6 T N 2.113 116.816 114.554 0.249 0.000 3.031 6 T HA 0.354 4.703 4.350 -0.000 0.000 0.305 6 T C -0.176 174.621 174.700 0.161 0.000 0.985 6 T CA -0.417 61.824 62.100 0.235 0.000 1.008 6 T CB 1.361 70.304 68.868 0.124 0.000 1.005 6 T HN 0.535 nan 8.240 nan 0.000 0.444 7 M N 4.354 124.006 119.600 0.087 0.000 2.342 7 M HA 0.675 5.154 4.480 -0.000 0.000 0.332 7 M C -0.942 175.427 176.300 0.114 0.000 1.166 7 M CA -0.625 54.677 55.300 0.004 0.000 1.086 7 M CB 1.221 33.710 32.600 -0.186 0.000 1.541 7 M HN 0.712 nan 8.290 nan 0.000 0.462 8 M N 4.235 123.920 119.600 0.141 0.000 2.213 8 M HA 0.266 4.746 4.480 -0.000 0.000 0.286 8 M C -1.392 175.060 176.300 0.254 0.000 1.008 8 M CA -0.500 54.905 55.300 0.175 0.000 0.937 8 M CB 2.032 34.667 32.600 0.059 0.000 1.600 8 M HN 0.763 nan 8.290 nan 0.000 0.450 9 Q N 3.495 123.428 119.800 0.221 0.000 2.324 9 Q HA 0.045 4.384 4.340 -0.000 0.000 0.257 9 Q C -1.487 174.481 176.000 -0.053 0.000 1.080 9 Q CA -0.030 55.675 55.803 -0.164 0.000 0.907 9 Q CB 0.466 28.861 28.738 -0.572 0.000 1.274 9 Q HN 0.773 nan 8.270 nan 0.000 0.434 10 Y N 7.109 127.380 120.300 -0.048 0.000 2.930 10 Y HA 0.127 4.677 4.550 -0.000 0.000 0.386 10 Y C -1.565 174.380 175.900 0.074 0.000 1.185 10 Y CA -0.230 57.987 58.100 0.196 0.000 1.922 10 Y CB -0.450 38.142 38.460 0.219 0.000 2.006 10 Y HN 0.538 nan 8.280 nan 0.000 0.431 11 Y N -0.818 119.196 120.300 -0.476 0.000 2.786 11 Y HA 0.476 5.025 4.550 -0.000 0.000 0.365 11 Y C -1.768 173.869 175.900 -0.439 0.000 1.171 11 Y CA -1.976 55.624 58.100 -0.833 0.000 1.214 11 Y CB 0.366 38.432 38.460 -0.656 0.000 1.411 11 Y HN 0.179 nan 8.280 nan 0.000 0.485 12 E N 2.287 122.339 120.200 -0.247 0.000 2.392 12 E HA 0.267 4.617 4.350 -0.000 0.000 0.269 12 E C -0.229 176.491 176.600 0.201 0.000 0.924 12 E CA -1.056 55.406 56.400 0.104 0.000 0.784 12 E CB 1.457 31.201 29.700 0.073 0.000 1.292 12 E HN 0.830 nan 8.360 nan 0.000 0.447 13 W N 1.355 122.736 121.300 0.135 0.000 2.342 13 W HA -0.149 4.511 4.660 -0.000 0.000 0.297 13 W C 0.190 176.565 176.519 -0.240 0.000 1.213 13 W CA 1.443 58.764 57.345 -0.040 0.000 1.251 13 W CB 0.142 29.517 29.460 -0.142 0.000 1.136 13 W HN 0.674 nan 8.180 nan 0.000 0.526 14 H N 0.351 119.507 119.070 0.144 0.000 2.524 14 H HA 0.209 4.765 4.556 -0.000 0.000 0.299 14 H C 0.862 176.138 175.328 -0.086 0.000 1.074 14 H CA -0.019 56.039 56.048 0.015 0.000 1.115 14 H CB -0.493 29.319 29.762 0.084 0.000 1.522 14 H HN -0.020 nan 8.280 nan 0.000 0.543 15 L N 1.160 122.323 121.223 -0.099 0.000 2.483 15 L HA -0.061 4.279 4.340 -0.000 0.000 0.277 15 L C 1.068 177.830 176.870 -0.179 0.000 1.248 15 L CA 0.474 55.200 54.840 -0.191 0.000 0.825 15 L CB 0.570 42.392 42.059 -0.395 0.000 1.096 15 L HN 0.139 nan 8.230 nan 0.000 0.512 16 E N 1.463 121.565 120.200 -0.163 0.000 2.338 16 E HA -0.024 4.326 4.350 -0.000 0.000 0.272 16 E C -0.280 176.194 176.600 -0.211 0.000 1.029 16 E CA -0.144 56.170 56.400 -0.144 0.000 0.872 16 E CB 0.711 30.354 29.700 -0.095 0.000 1.015 16 E HN 0.304 nan 8.360 nan 0.000 0.417 17 N N 2.525 121.101 118.700 -0.207 0.000 3.243 17 N HA -0.063 4.676 4.740 -0.000 0.000 0.310 17 N C -0.216 175.181 175.510 -0.188 0.000 1.313 17 N CA -0.057 52.841 53.050 -0.254 0.000 1.204 17 N CB -0.095 38.250 38.487 -0.237 0.000 1.483 17 N HN 0.264 nan 8.380 nan 0.000 0.553 18 D N -1.067 119.236 120.400 -0.162 0.000 2.363 18 D HA 0.161 4.801 4.640 -0.000 0.000 0.214 18 D C 1.272 177.512 176.300 -0.101 0.000 1.093 18 D CA 0.051 53.986 54.000 -0.107 0.000 0.837 18 D CB -0.525 40.234 40.800 -0.069 0.000 0.948 18 D HN 0.194 nan 8.370 nan 0.000 0.507 19 G N 0.606 109.312 108.800 -0.157 0.000 2.244 19 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.274 19 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.274 19 G C 0.976 175.840 174.900 -0.061 0.000 1.002 19 G CA 0.516 45.532 45.100 -0.140 0.000 0.740 19 G HN 0.370 nan 8.290 nan 0.000 0.516 20 Q N -1.222 118.560 119.800 -0.030 0.000 2.282 20 Q HA 0.149 4.489 4.340 -0.000 0.000 0.206 20 Q C 1.691 177.749 176.000 0.096 0.000 0.878 20 Q CA 0.431 56.255 55.803 0.035 0.000 0.944 20 Q CB 0.083 28.838 28.738 0.029 0.000 1.100 20 Q HN 0.769 nan 8.270 nan 0.000 0.509 21 H N -0.388 118.637 119.070 -0.075 0.000 2.321 21 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 21 H C 1.377 176.783 175.328 0.131 0.000 1.087 21 H CA 1.977 58.002 56.048 -0.038 0.000 1.319 21 H CB -0.126 29.548 29.762 -0.147 0.000 1.379 21 H HN 0.270 nan 8.280 nan 0.000 0.501 22 W N 0.595 121.977 121.300 0.137 0.000 2.321 22 W HA -0.231 4.428 4.660 -0.000 0.000 0.306 22 W C 2.250 178.787 176.519 0.030 0.000 1.217 22 W CA 0.443 57.813 57.345 0.042 0.000 1.257 22 W CB -0.146 29.349 29.460 0.059 0.000 1.145 22 W HN 0.238 nan 8.180 nan 0.000 0.509 23 N N 0.285 119.149 118.700 0.273 0.000 2.120 23 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 23 N C 1.586 177.207 175.510 0.185 0.000 1.024 23 N CA 1.326 54.483 53.050 0.179 0.000 0.852 23 N CB -0.685 37.869 38.487 0.111 0.000 1.003 23 N HN 0.243 nan 8.380 nan 0.000 0.424 24 R N 0.394 120.991 120.500 0.162 0.000 2.083 24 R HA -0.111 4.229 4.340 -0.000 0.000 0.237 24 R C 2.090 178.497 176.300 0.178 0.000 1.137 24 R CA 0.853 57.053 56.100 0.167 0.000 0.951 24 R CB -0.608 29.804 30.300 0.187 0.000 0.851 24 R HN 0.124 nan 8.270 nan 0.000 0.434 25 L N 0.796 122.112 121.223 0.156 0.000 2.013 25 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 25 L C 2.439 179.278 176.870 -0.051 0.000 1.073 25 L CA 1.997 56.778 54.840 -0.098 0.000 0.753 25 L CB -0.921 41.103 42.059 -0.058 0.000 0.890 25 L HN 0.312 nan 8.230 nan 0.000 0.432 26 H N -0.699 118.360 119.070 -0.019 0.000 2.353 26 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 26 H C 1.278 176.595 175.328 -0.020 0.000 1.090 26 H CA 1.956 57.988 56.048 -0.027 0.000 1.327 26 H CB 0.050 29.814 29.762 0.004 0.000 1.383 26 H HN 0.420 nan 8.280 nan 0.000 0.508 27 D N -0.006 120.439 120.400 0.073 0.000 2.347 27 D HA -0.068 4.572 4.640 -0.000 0.000 0.215 27 D C 1.391 177.674 176.300 -0.027 0.000 0.976 27 D CA 0.552 54.558 54.000 0.010 0.000 0.884 27 D CB -0.204 40.661 40.800 0.109 0.000 0.915 27 D HN 0.399 nan 8.370 nan 0.000 0.526 28 D N -0.047 120.344 120.400 -0.016 0.000 2.346 28 D HA 0.149 4.789 4.640 -0.000 0.000 0.206 28 D C 1.914 178.183 176.300 -0.051 0.000 1.001 28 D CA 0.346 54.357 54.000 0.019 0.000 0.871 28 D CB 0.272 41.141 40.800 0.115 0.000 0.943 28 D HN -0.011 nan 8.370 nan 0.000 0.518 29 A N 1.316 124.054 122.820 -0.136 0.000 1.859 29 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 29 A C 2.388 179.912 177.584 -0.100 0.000 1.242 29 A CA 3.019 54.965 52.037 -0.152 0.000 0.661 29 A CB -1.396 17.487 19.000 -0.196 0.000 0.842 29 A HN 0.274 nan 8.150 nan 0.000 0.455 30 A N -0.667 122.096 122.820 -0.095 0.000 1.896 30 A HA -0.040 4.279 4.320 -0.000 0.000 0.220 30 A C 2.612 180.179 177.584 -0.028 0.000 1.206 30 A CA 3.424 55.425 52.037 -0.061 0.000 0.647 30 A CB -1.424 17.542 19.000 -0.057 0.000 0.828 30 A HN 1.553 nan 8.150 nan 0.000 0.455 31 A N -0.724 122.094 122.820 -0.003 0.000 1.917 31 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 31 A C 2.235 179.843 177.584 0.041 0.000 1.182 31 A CA 1.780 53.840 52.037 0.038 0.000 0.633 31 A CB -0.649 18.402 19.000 0.084 0.000 0.819 31 A HN 0.521 nan 8.150 nan 0.000 0.448 32 L N -0.980 120.253 121.223 0.017 0.000 2.056 32 L HA -0.136 4.203 4.340 -0.000 0.000 0.207 32 L C 2.952 179.799 176.870 -0.038 0.000 1.078 32 L CA 1.407 56.235 54.840 -0.020 0.000 0.749 32 L CB -0.460 41.561 42.059 -0.063 0.000 0.901 32 L HN 0.531 nan 8.230 nan 0.000 0.433 33 S N -0.200 115.474 115.700 -0.043 0.000 2.353 33 S HA -0.291 4.179 4.470 -0.000 0.000 0.222 33 S C 1.944 176.531 174.600 -0.022 0.000 1.035 33 S CA 1.924 60.099 58.200 -0.041 0.000 1.025 33 S CB -0.391 62.780 63.200 -0.049 0.000 0.902 33 S HN 0.526 nan 8.310 nan 0.000 0.440 34 D N 0.893 121.285 120.400 -0.014 0.000 2.158 34 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 34 D C 1.830 178.136 176.300 0.009 0.000 0.995 34 D CA 1.435 55.433 54.000 -0.003 0.000 0.846 34 D CB -0.406 40.394 40.800 0.001 0.000 0.941 34 D HN 0.502 nan 8.370 nan 0.000 0.456 35 A N -0.627 122.204 122.820 0.018 0.000 2.209 35 A HA 0.301 4.621 4.320 -0.000 0.000 0.212 35 A C 1.767 179.364 177.584 0.022 0.000 1.158 35 A CA 1.454 53.511 52.037 0.033 0.000 0.742 35 A CB -0.277 18.762 19.000 0.065 0.000 0.790 35 A HN 0.526 nan 8.150 nan 0.000 0.472 36 G N -1.727 107.078 108.800 0.008 0.000 2.168 36 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.197 36 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.197 36 G C -0.140 174.763 174.900 0.004 0.000 0.997 36 G CA -0.070 45.039 45.100 0.015 0.000 0.658 36 G HN 0.227 nan 8.290 nan 0.000 0.513 37 I N 2.653 123.208 120.570 -0.024 0.000 2.371 37 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 37 I C 1.739 177.838 176.117 -0.030 0.000 1.028 37 I CA 0.790 62.069 61.300 -0.035 0.000 1.345 37 I CB 0.932 38.882 38.000 -0.085 0.000 1.407 37 I HN 0.267 nan 8.210 nan 0.000 0.501 38 T N 1.997 116.546 114.554 -0.009 0.000 3.001 38 T HA 0.544 4.894 4.350 -0.000 0.000 0.251 38 T C 0.470 175.132 174.700 -0.064 0.000 1.040 38 T CA -0.091 61.996 62.100 -0.021 0.000 0.985 38 T CB 0.551 69.424 68.868 0.009 0.000 1.011 38 T HN 0.607 nan 8.240 nan 0.000 0.509 39 A N 1.098 123.865 122.820 -0.088 0.000 2.520 39 A HA 0.707 5.027 4.320 -0.000 0.000 0.298 39 A C -1.489 175.968 177.584 -0.210 0.000 1.051 39 A CA -0.812 51.073 52.037 -0.254 0.000 0.690 39 A CB 1.278 20.035 19.000 -0.405 0.000 1.281 39 A HN 0.239 nan 8.150 nan 0.000 0.402 40 I N 1.533 121.956 120.570 -0.245 0.000 2.433 40 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 40 I C -1.079 175.099 176.117 0.102 0.000 1.001 40 I CA -0.455 60.819 61.300 -0.043 0.000 1.119 40 I CB 1.624 39.586 38.000 -0.063 0.000 1.289 40 I HN 0.877 nan 8.210 nan 0.000 0.438 41 W N 9.762 131.130 121.300 0.113 0.000 2.283 41 W HA 0.582 5.241 4.660 -0.000 0.000 0.317 41 W C -0.563 176.169 176.519 0.355 0.000 1.042 41 W CA -1.636 55.875 57.345 0.278 0.000 1.348 41 W CB 0.215 29.899 29.460 0.373 0.000 1.216 41 W HN 0.400 nan 8.180 nan 0.000 0.404 42 I N 5.946 126.864 120.570 0.581 0.000 2.713 42 I HA 0.631 4.801 4.170 -0.000 0.000 0.300 42 I C -1.895 174.429 176.117 0.346 0.000 1.009 42 I CA -2.480 59.062 61.300 0.402 0.000 1.305 42 I CB 1.175 39.363 38.000 0.314 0.000 1.430 42 I HN 0.206 nan 8.210 nan 0.000 0.546 43 P HA 0.331 nan 4.420 nan 0.000 0.277 43 P C -2.691 174.442 177.300 -0.278 0.000 1.271 43 P CA -1.904 60.794 63.100 -0.671 0.000 0.795 43 P CB -0.443 30.106 31.700 -1.919 0.000 1.101 44 P HA -0.021 nan 4.420 nan 0.000 0.260 44 P C 0.259 177.229 177.300 -0.550 0.000 1.185 44 P CA 0.809 63.529 63.100 -0.632 0.000 0.763 44 P CB -0.306 30.979 31.700 -0.693 0.000 0.776 45 A N 3.643 126.185 122.820 -0.463 0.000 2.345 45 A HA 0.146 4.465 4.320 -0.000 0.000 0.225 45 A C 0.002 177.634 177.584 0.079 0.000 1.243 45 A CA 0.158 52.255 52.037 0.100 0.000 0.875 45 A CB -0.774 18.411 19.000 0.309 0.000 0.929 45 A HN 0.548 nan 8.150 nan 0.000 0.502 46 Y N -2.457 117.986 120.300 0.238 0.000 2.453 46 Y HA 0.687 5.237 4.550 -0.000 0.000 0.326 46 Y C 0.298 176.280 175.900 0.137 0.000 1.186 46 Y CA -2.686 55.524 58.100 0.184 0.000 1.200 46 Y CB 0.423 38.919 38.460 0.059 0.000 1.247 46 Y HN -0.095 nan 8.280 nan 0.000 0.482 47 K N 1.369 121.981 120.400 0.354 0.000 2.466 47 K HA 0.302 4.622 4.320 -0.000 0.000 0.278 47 K C 0.143 176.917 176.600 0.290 0.000 1.048 47 K CA 0.657 57.119 56.287 0.291 0.000 1.088 47 K CB -0.241 32.487 32.500 0.379 0.000 0.884 47 K HN 0.970 nan 8.250 nan 0.000 0.478 48 G N 2.735 111.631 108.800 0.161 0.000 2.642 48 G HA2 0.071 4.030 3.960 -0.000 0.000 0.291 48 G HA3 0.071 4.030 3.960 -0.000 0.000 0.291 48 G C 0.620 175.578 174.900 0.097 0.000 1.345 48 G CA -0.527 44.655 45.100 0.137 0.000 1.043 48 G HN 0.827 nan 8.290 nan 0.000 0.528 49 N N -1.189 117.545 118.700 0.057 0.000 2.069 49 N HA -0.183 4.556 4.740 -0.000 0.000 0.196 49 N C 1.016 176.471 175.510 -0.092 0.000 1.024 49 N CA 1.691 54.726 53.050 -0.024 0.000 0.869 49 N CB -0.022 38.441 38.487 -0.041 0.000 1.035 49 N HN 0.525 nan 8.380 nan 0.000 0.434 50 S N -2.226 113.421 115.700 -0.087 0.000 2.685 50 S HA 0.116 4.586 4.470 -0.000 0.000 0.282 50 S C 0.385 174.917 174.600 -0.114 0.000 1.159 50 S CA -0.897 57.239 58.200 -0.106 0.000 0.833 50 S CB 1.779 64.909 63.200 -0.116 0.000 1.151 50 S HN 0.231 nan 8.310 nan 0.000 0.485 51 Q N 0.236 119.966 119.800 -0.116 0.000 2.135 51 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 51 Q C 1.735 177.599 176.000 -0.227 0.000 0.981 51 Q CA 1.817 57.534 55.803 -0.144 0.000 0.856 51 Q CB -0.571 28.095 28.738 -0.119 0.000 0.902 51 Q HN 0.918 nan 8.270 nan 0.000 0.425 52 A N 0.689 123.378 122.820 -0.218 0.000 2.259 52 A HA -0.006 4.314 4.320 -0.000 0.000 0.208 52 A C 0.279 177.667 177.584 -0.327 0.000 1.201 52 A CA -0.050 51.819 52.037 -0.280 0.000 0.824 52 A CB -0.162 18.710 19.000 -0.214 0.000 0.838 52 A HN 0.414 nan 8.150 nan 0.000 0.485 53 D N -0.049 120.182 120.400 -0.281 0.000 2.424 53 D HA 0.122 4.762 4.640 -0.000 0.000 0.244 53 D C 1.003 177.061 176.300 -0.403 0.000 1.134 53 D CA -0.030 53.807 54.000 -0.272 0.000 0.881 53 D CB 1.342 42.050 40.800 -0.153 0.000 1.191 53 D HN 0.029 nan 8.370 nan 0.000 0.445 54 V N 3.327 122.955 119.914 -0.476 0.000 2.759 54 V HA -0.003 4.117 4.120 -0.000 0.000 0.256 54 V C 1.807 177.650 176.094 -0.418 0.000 1.080 54 V CA 1.762 63.733 62.300 -0.549 0.000 1.101 54 V CB -0.227 31.108 31.823 -0.814 0.000 0.698 54 V HN 0.951 nan 8.190 nan 0.000 0.477 55 G N -1.900 106.686 108.800 -0.357 0.000 2.705 55 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.193 55 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.193 55 G C 0.523 175.207 174.900 -0.360 0.000 1.015 55 G CA 0.109 44.964 45.100 -0.409 0.000 0.743 55 G HN 0.382 nan 8.290 nan 0.000 0.476 56 Y N 1.577 121.927 120.300 0.082 0.000 2.583 56 Y HA 0.358 4.908 4.550 -0.000 0.000 0.293 56 Y C 2.341 178.360 175.900 0.199 0.000 1.157 56 Y CA 0.732 58.935 58.100 0.172 0.000 1.315 56 Y CB 0.224 38.825 38.460 0.235 0.000 1.021 56 Y HN 0.321 nan 8.280 nan 0.000 0.536 57 G N 0.422 109.342 108.800 0.200 0.000 3.709 57 G HA2 0.400 4.360 3.960 -0.000 0.000 0.272 57 G HA3 0.400 4.360 3.960 -0.000 0.000 0.272 57 G C 0.115 175.110 174.900 0.159 0.000 1.259 57 G CA -0.177 45.026 45.100 0.171 0.000 1.512 57 G HN 0.327 nan 8.290 nan 0.000 0.625 58 A N 0.360 123.274 122.820 0.155 0.000 2.561 58 A HA 0.237 4.557 4.320 -0.000 0.000 0.251 58 A C 0.604 178.263 177.584 0.125 0.000 1.062 58 A CA 0.102 52.206 52.037 0.111 0.000 0.761 58 A CB 0.220 19.195 19.000 -0.042 0.000 0.986 58 A HN 0.675 nan 8.150 nan 0.000 0.510 59 Y N 2.016 122.364 120.300 0.079 0.000 2.284 59 Y HA 0.240 4.789 4.550 -0.000 0.000 0.293 59 Y C 0.315 176.319 175.900 0.174 0.000 1.140 59 Y CA 1.100 59.318 58.100 0.197 0.000 1.153 59 Y CB 0.540 39.146 38.460 0.244 0.000 1.114 59 Y HN 0.571 nan 8.280 nan 0.000 0.521 60 D N 0.293 120.638 120.400 -0.092 0.000 2.389 60 D HA 0.210 4.850 4.640 -0.000 0.000 0.256 60 D C 0.281 176.404 176.300 -0.294 0.000 1.239 60 D CA -0.126 53.646 54.000 -0.381 0.000 0.925 60 D CB 0.445 41.039 40.800 -0.344 0.000 1.145 60 D HN 0.333 nan 8.370 nan 0.000 0.542 61 L N 2.412 123.224 121.223 -0.684 0.000 2.556 61 L HA -0.155 4.185 4.340 -0.000 0.000 0.230 61 L C 0.875 177.508 176.870 -0.394 0.000 1.163 61 L CA 0.951 55.186 54.840 -1.008 0.000 0.819 61 L CB -0.375 40.436 42.059 -2.081 0.000 0.939 61 L HN 0.510 nan 8.230 nan 0.000 0.452 62 Y N -1.653 118.560 120.300 -0.145 0.000 2.462 62 Y HA 0.079 4.629 4.550 -0.000 0.000 0.261 62 Y C 0.845 176.983 175.900 0.397 0.000 1.146 62 Y CA -0.466 57.663 58.100 0.049 0.000 1.283 62 Y CB 0.262 38.575 38.460 -0.244 0.000 1.090 62 Y HN 0.019 nan 8.280 nan 0.000 0.526 63 D N 0.727 121.431 120.400 0.507 0.000 2.467 63 D HA 0.197 4.837 4.640 -0.000 0.000 0.220 63 D C -0.358 176.235 176.300 0.488 0.000 1.103 63 D CA -0.017 54.355 54.000 0.621 0.000 0.886 63 D CB 0.264 41.426 40.800 0.603 0.000 1.025 63 D HN 0.183 nan 8.370 nan 0.000 0.514 64 L N 3.406 124.908 121.223 0.466 0.000 2.998 64 L HA 0.361 4.701 4.340 -0.000 0.000 0.234 64 L C 1.280 178.318 176.870 0.279 0.000 1.350 64 L CA -0.394 54.683 54.840 0.396 0.000 1.202 64 L CB -0.215 42.083 42.059 0.398 0.000 1.583 64 L HN 0.683 nan 8.230 nan 0.000 0.456 65 G N 0.963 109.908 108.800 0.240 0.000 2.248 65 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 65 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 65 G C 0.444 175.385 174.900 0.068 0.000 1.082 65 G CA 0.605 45.810 45.100 0.175 0.000 0.863 65 G HN 0.660 nan 8.290 nan 0.000 0.495 66 E N -1.440 118.725 120.200 -0.058 0.000 2.441 66 E HA 0.387 4.737 4.350 -0.000 0.000 0.212 66 E C 0.062 176.359 176.600 -0.505 0.000 0.840 66 E CA -0.297 55.891 56.400 -0.353 0.000 1.143 66 E CB 0.456 29.794 29.700 -0.603 0.000 1.153 66 E HN 0.336 nan 8.360 nan 0.000 0.539 67 F N 1.331 121.404 119.950 0.204 0.000 2.492 67 F HA 0.359 4.886 4.527 -0.000 0.000 0.327 67 F C 0.277 176.171 175.800 0.156 0.000 1.079 67 F CA -1.393 56.712 58.000 0.175 0.000 0.967 67 F CB 0.985 40.103 39.000 0.196 0.000 1.169 67 F HN -0.167 nan 8.300 nan 0.000 0.472 68 N N 3.254 122.137 118.700 0.305 0.000 2.466 68 N HA 0.109 4.849 4.740 -0.000 0.000 0.263 68 N C -1.182 174.452 175.510 0.207 0.000 1.178 68 N CA 0.225 53.393 53.050 0.198 0.000 0.983 68 N CB -0.130 38.443 38.487 0.144 0.000 1.331 68 N HN 0.700 nan 8.380 nan 0.000 0.500 69 Q N 1.753 121.674 119.800 0.201 0.000 2.416 69 Q HA 0.321 4.661 4.340 -0.000 0.000 0.281 69 Q C -0.310 175.716 176.000 0.043 0.000 1.067 69 Q CA -0.958 54.947 55.803 0.170 0.000 0.809 69 Q CB 1.661 30.608 28.738 0.350 0.000 1.418 69 Q HN 0.192 nan 8.270 nan 0.000 0.411 70 K N -0.108 120.235 120.400 -0.096 0.000 3.069 70 K HA -0.238 4.082 4.320 -0.000 0.000 0.267 70 K C 0.460 177.009 176.600 -0.086 0.000 1.082 70 K CA 1.115 57.299 56.287 -0.171 0.000 0.782 70 K CB -1.922 30.436 32.500 -0.235 0.000 1.230 70 K HN 1.242 nan 8.250 nan 0.000 0.488 71 G N -1.240 107.534 108.800 -0.043 0.000 2.143 71 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.249 71 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.249 71 G C 0.094 174.984 174.900 -0.016 0.000 0.981 71 G CA 1.179 46.260 45.100 -0.031 0.000 0.665 71 G HN 0.904 nan 8.290 nan 0.000 0.528 72 T N -2.752 111.807 114.554 0.009 0.000 2.827 72 T HA 0.518 4.868 4.350 -0.000 0.000 0.328 72 T C 0.850 175.588 174.700 0.062 0.000 1.598 72 T CA 0.477 62.588 62.100 0.018 0.000 1.043 72 T CB 1.486 70.347 68.868 -0.011 0.000 1.447 72 T HN 0.540 nan 8.240 nan 0.000 0.491 73 V N 2.387 122.336 119.914 0.058 0.000 2.502 73 V HA 0.271 4.391 4.120 -0.000 0.000 0.234 73 V C 1.533 177.673 176.094 0.076 0.000 1.072 73 V CA 1.050 63.399 62.300 0.082 0.000 1.094 73 V CB -0.506 31.354 31.823 0.062 0.000 0.761 73 V HN 0.914 nan 8.190 nan 0.000 0.489 74 R N 1.752 122.281 120.500 0.049 0.000 2.801 74 R HA 0.218 4.557 4.340 -0.000 0.000 0.273 74 R C 0.265 176.579 176.300 0.023 0.000 1.080 74 R CA 0.461 56.592 56.100 0.052 0.000 1.197 74 R CB 0.020 30.335 30.300 0.025 0.000 1.109 74 R HN 0.472 nan 8.270 nan 0.000 0.535 75 T N -2.208 112.358 114.554 0.020 0.000 2.880 75 T HA 0.162 4.511 4.350 -0.000 0.000 0.279 75 T C 1.000 175.542 174.700 -0.264 0.000 0.990 75 T CA -0.740 61.316 62.100 -0.072 0.000 0.938 75 T CB 0.994 69.871 68.868 0.015 0.000 1.206 75 T HN 0.759 nan 8.240 nan 0.000 0.573 76 K N -0.754 119.330 120.400 -0.527 0.000 2.152 76 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 76 K C 1.465 177.564 176.600 -0.836 0.000 1.048 76 K CA 1.436 57.266 56.287 -0.762 0.000 0.933 76 K CB -0.333 31.488 32.500 -1.132 0.000 0.721 76 K HN 0.687 nan 8.250 nan 0.000 0.447 77 Y N -0.680 119.318 120.300 -0.505 0.000 2.490 77 Y HA 0.252 4.802 4.550 -0.000 0.000 0.285 77 Y C 1.290 176.749 175.900 -0.735 0.000 1.117 77 Y CA 0.444 58.046 58.100 -0.830 0.000 1.262 77 Y CB 0.605 38.101 38.460 -1.607 0.000 1.043 77 Y HN 0.255 nan 8.280 nan 0.000 0.553 78 G N -0.645 108.005 108.800 -0.250 0.000 2.320 78 G HA2 0.187 4.147 3.960 -0.000 0.000 0.274 78 G HA3 0.187 4.147 3.960 -0.000 0.000 0.274 78 G C -0.813 174.251 174.900 0.273 0.000 1.324 78 G CA -0.609 44.525 45.100 0.056 0.000 0.957 78 G HN 0.184 nan 8.290 nan 0.000 0.481 79 T N -1.474 113.257 114.554 0.294 0.000 2.918 79 T HA 0.539 4.889 4.350 -0.000 0.000 0.283 79 T C 1.401 176.242 174.700 0.235 0.000 1.001 79 T CA 0.606 62.836 62.100 0.218 0.000 1.041 79 T CB 1.916 70.854 68.868 0.118 0.000 1.028 79 T HN 0.906 nan 8.240 nan 0.000 0.511 80 K N 1.071 121.555 120.400 0.140 0.000 2.044 80 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 80 K C 2.390 178.992 176.600 0.003 0.000 1.049 80 K CA 1.594 57.922 56.287 0.069 0.000 0.927 80 K CB -0.904 31.636 32.500 0.066 0.000 0.713 80 K HN 0.762 nan 8.250 nan 0.000 0.443 81 A N 0.947 123.781 122.820 0.023 0.000 1.940 81 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 81 A C 1.978 179.551 177.584 -0.018 0.000 1.176 81 A CA 1.697 53.733 52.037 -0.001 0.000 0.631 81 A CB -0.497 18.510 19.000 0.012 0.000 0.814 81 A HN 0.546 nan 8.150 nan 0.000 0.446 82 Q N -1.219 118.602 119.800 0.034 0.000 2.172 82 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 82 Q C 2.010 177.995 176.000 -0.024 0.000 0.964 82 Q CA 1.185 57.023 55.803 0.057 0.000 0.855 82 Q CB -0.265 28.587 28.738 0.189 0.000 0.918 82 Q HN 0.596 nan 8.270 nan 0.000 0.444 83 L N 1.133 122.215 121.223 -0.236 0.000 2.072 83 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 83 L C 1.712 178.328 176.870 -0.423 0.000 1.079 83 L CA 1.781 56.175 54.840 -0.743 0.000 0.752 83 L CB -0.163 41.162 42.059 -1.223 0.000 0.906 83 L HN 0.081 nan 8.230 nan 0.000 0.436 84 E N -0.545 119.500 120.200 -0.258 0.000 2.106 84 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 84 E C 2.236 178.760 176.600 -0.127 0.000 0.984 84 E CA 1.078 57.367 56.400 -0.185 0.000 0.806 84 E CB -0.191 29.434 29.700 -0.125 0.000 0.750 84 E HN 0.460 nan 8.360 nan 0.000 0.458 85 R N 0.957 121.399 120.500 -0.096 0.000 2.092 85 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 85 R C 2.221 178.542 176.300 0.035 0.000 1.119 85 R CA 1.255 57.326 56.100 -0.049 0.000 0.970 85 R CB -0.158 30.081 30.300 -0.103 0.000 0.864 85 R HN 0.137 nan 8.270 nan 0.000 0.440 86 A N 1.223 124.042 122.820 -0.002 0.000 1.858 86 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 86 A C 2.175 179.731 177.584 -0.045 0.000 1.190 86 A CA 1.500 53.566 52.037 0.048 0.000 0.617 86 A CB -0.581 18.416 19.000 -0.004 0.000 0.827 86 A HN 0.372 nan 8.150 nan 0.000 0.443 87 I N -0.121 120.368 120.570 -0.135 0.000 2.264 87 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 87 I C 2.636 178.693 176.117 -0.100 0.000 1.111 87 I CA 1.127 62.339 61.300 -0.147 0.000 1.382 87 I CB -0.539 37.344 38.000 -0.196 0.000 1.060 87 I HN 0.426 nan 8.210 nan 0.000 0.418 88 G N -0.603 108.157 108.800 -0.066 0.000 2.418 88 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 88 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 88 G C 1.759 176.637 174.900 -0.037 0.000 1.158 88 G CA 1.005 46.079 45.100 -0.043 0.000 0.771 88 G HN 0.365 nan 8.290 nan 0.000 0.545 89 S N -0.034 115.659 115.700 -0.012 0.000 2.359 89 S HA -0.035 4.434 4.470 -0.000 0.000 0.224 89 S C 2.461 176.990 174.600 -0.117 0.000 1.035 89 S CA 1.150 59.298 58.200 -0.087 0.000 1.018 89 S CB -0.316 62.764 63.200 -0.200 0.000 0.876 89 S HN 0.336 nan 8.310 nan 0.000 0.448 90 L N 1.053 122.206 121.223 -0.116 0.000 2.042 90 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 90 L C 2.763 179.571 176.870 -0.103 0.000 1.076 90 L CA 1.243 56.008 54.840 -0.125 0.000 0.749 90 L CB -0.517 41.459 42.059 -0.138 0.000 0.893 90 L HN 0.227 nan 8.230 nan 0.000 0.432 91 K N 0.317 120.662 120.400 -0.092 0.000 1.991 91 K HA -0.153 4.167 4.320 -0.000 0.000 0.212 91 K C 2.234 178.793 176.600 -0.067 0.000 1.049 91 K CA 1.930 58.170 56.287 -0.078 0.000 0.932 91 K CB -0.880 31.576 32.500 -0.073 0.000 0.717 91 K HN 0.415 nan 8.250 nan 0.000 0.441 92 S N 1.207 116.869 115.700 -0.063 0.000 2.493 92 S HA -0.076 4.394 4.470 -0.000 0.000 0.243 92 S C 1.261 175.825 174.600 -0.060 0.000 0.991 92 S CA 0.957 59.124 58.200 -0.055 0.000 0.957 92 S CB -0.177 62.994 63.200 -0.049 0.000 0.756 92 S HN 0.196 nan 8.310 nan 0.000 0.521 93 N N 1.301 119.958 118.700 -0.072 0.000 2.214 93 N HA 0.081 4.820 4.740 -0.000 0.000 0.214 93 N C -0.903 174.568 175.510 -0.065 0.000 1.132 93 N CA 0.255 53.262 53.050 -0.072 0.000 0.856 93 N CB 0.146 38.579 38.487 -0.090 0.000 1.020 93 N HN 0.327 nan 8.380 nan 0.000 0.509 94 D N 0.880 121.242 120.400 -0.062 0.000 2.716 94 D HA -0.178 4.462 4.640 -0.000 0.000 0.239 94 D C -0.361 175.901 176.300 -0.064 0.000 1.125 94 D CA 0.751 54.717 54.000 -0.056 0.000 0.681 94 D CB -1.282 39.491 40.800 -0.045 0.000 1.070 94 D HN 0.406 nan 8.370 nan 0.000 0.432 95 I N 0.667 121.188 120.570 -0.081 0.000 2.436 95 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 95 I C 0.586 176.631 176.117 -0.120 0.000 1.010 95 I CA -0.772 60.467 61.300 -0.102 0.000 1.098 95 I CB 1.558 39.487 38.000 -0.119 0.000 1.266 95 I HN -0.191 nan 8.210 nan 0.000 0.434 96 N N 4.760 123.375 118.700 -0.142 0.000 2.508 96 N HA 0.295 5.035 4.740 -0.000 0.000 0.264 96 N C -0.675 174.668 175.510 -0.279 0.000 1.216 96 N CA -0.140 52.818 53.050 -0.154 0.000 0.943 96 N CB 2.008 40.442 38.487 -0.088 0.000 1.113 96 N HN 0.210 nan 8.380 nan 0.000 0.447 97 V N 2.967 122.786 119.914 -0.159 0.000 2.409 97 V HA 0.309 4.429 4.120 -0.000 0.000 0.291 97 V C -1.010 175.147 176.094 0.106 0.000 1.020 97 V CA -0.732 61.498 62.300 -0.118 0.000 0.848 97 V CB 0.487 32.257 31.823 -0.089 0.000 0.990 97 V HN 0.409 nan 8.190 nan 0.000 0.430 98 Y N 2.240 122.615 120.300 0.125 0.000 2.352 98 Y HA 0.744 5.294 4.550 -0.000 0.000 0.339 98 Y C 0.773 176.834 175.900 0.269 0.000 0.992 98 Y CA -1.516 56.680 58.100 0.159 0.000 1.100 98 Y CB 1.808 40.398 38.460 0.216 0.000 1.192 98 Y HN 0.701 nan 8.280 nan 0.000 0.458 99 G N 1.784 110.856 108.800 0.453 0.000 2.377 99 G HA2 0.237 4.197 3.960 -0.000 0.000 0.299 99 G HA3 0.237 4.197 3.960 -0.000 0.000 0.299 99 G C -0.866 174.409 174.900 0.624 0.000 1.150 99 G CA -0.503 44.916 45.100 0.531 0.000 0.847 99 G HN 0.514 nan 8.290 nan 0.000 0.501 100 D N 0.799 121.575 120.400 0.626 0.000 2.308 100 D HA 0.302 4.942 4.640 -0.000 0.000 0.251 100 D C -0.435 176.194 176.300 0.550 0.000 1.127 100 D CA 0.033 54.378 54.000 0.576 0.000 0.876 100 D CB 1.655 42.834 40.800 0.631 0.000 1.176 100 D HN -0.003 nan 8.370 nan 0.000 0.446 101 V N 4.491 124.664 119.914 0.432 0.000 2.407 101 V HA 0.241 4.360 4.120 -0.000 0.000 0.291 101 V C -0.103 176.078 176.094 0.145 0.000 1.018 101 V CA -0.835 61.666 62.300 0.334 0.000 0.842 101 V CB 1.912 33.837 31.823 0.170 0.000 0.996 101 V HN 0.345 nan 8.190 nan 0.000 0.426 102 V N 6.728 126.680 119.914 0.064 0.000 2.313 102 V HA 0.408 4.528 4.120 -0.000 0.000 0.278 102 V C 0.392 176.265 176.094 -0.368 0.000 1.017 102 V CA -0.100 62.141 62.300 -0.098 0.000 0.823 102 V CB 1.154 32.969 31.823 -0.014 0.000 1.010 102 V HN 0.920 nan 8.190 nan 0.000 0.443 103 M N 2.147 121.560 119.600 -0.312 0.000 2.289 103 M HA 0.184 4.664 4.480 -0.000 0.000 0.335 103 M C 1.523 177.748 176.300 -0.125 0.000 0.961 103 M CA 0.026 55.153 55.300 -0.288 0.000 1.018 103 M CB 0.253 32.734 32.600 -0.198 0.000 1.678 103 M HN 0.665 nan 8.290 nan 0.000 0.589 104 N N 1.401 119.983 118.700 -0.198 0.000 2.244 104 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 104 N C 0.394 175.900 175.510 -0.008 0.000 1.016 104 N CA 1.153 54.186 53.050 -0.027 0.000 0.866 104 N CB 0.348 38.846 38.487 0.019 0.000 0.980 104 N HN 0.471 nan 8.380 nan 0.000 0.430 105 H N -3.536 115.494 119.070 -0.068 0.000 2.905 105 H HA 0.510 5.066 4.556 -0.000 0.000 0.280 105 H C -1.102 174.123 175.328 -0.171 0.000 1.445 105 H CA -0.960 55.048 56.048 -0.068 0.000 1.165 105 H CB 0.716 30.438 29.762 -0.068 0.000 1.857 105 H HN -0.181 nan 8.280 nan 0.000 0.567 106 K N 0.292 120.705 120.400 0.022 0.000 2.512 106 K HA 0.626 4.946 4.320 -0.000 0.000 0.263 106 K C -1.057 175.637 176.600 0.156 0.000 0.966 106 K CA -0.744 55.476 56.287 -0.111 0.000 0.851 106 K CB 3.380 35.547 32.500 -0.554 0.000 1.395 106 K HN 0.478 nan 8.250 nan 0.000 0.440 107 M N -0.483 119.279 119.600 0.271 0.000 2.622 107 M HA 0.352 4.832 4.480 -0.000 0.000 0.276 107 M C -0.163 176.350 176.300 0.356 0.000 1.265 107 M CA -0.189 55.272 55.300 0.268 0.000 0.850 107 M CB 2.406 35.096 32.600 0.150 0.000 1.720 107 M HN 0.876 nan 8.290 nan 0.000 0.465 108 G N 1.141 110.011 108.800 0.117 0.000 2.182 108 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.248 108 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.248 108 G C -0.002 174.855 174.900 -0.072 0.000 1.042 108 G CA 0.094 45.182 45.100 -0.020 0.000 0.775 108 G HN 1.146 nan 8.290 nan 0.000 0.501 109 A N -0.224 122.430 122.820 -0.277 0.000 2.561 109 A HA 0.426 4.746 4.320 -0.000 0.000 0.234 109 A C 1.396 178.814 177.584 -0.277 0.000 1.055 109 A CA 0.925 52.414 52.037 -0.913 0.000 0.756 109 A CB 0.312 18.915 19.000 -0.662 0.000 0.986 109 A HN 0.349 nan 8.150 nan 0.000 0.505 110 D N 0.262 120.453 120.400 -0.348 0.000 2.178 110 D HA 0.049 4.689 4.640 -0.000 0.000 0.202 110 D C 0.183 176.626 176.300 0.238 0.000 0.974 110 D CA 1.839 55.842 54.000 0.005 0.000 0.841 110 D CB -0.074 40.769 40.800 0.070 0.000 0.953 110 D HN 0.606 nan 8.370 nan 0.000 0.478 111 F N -1.253 118.717 119.950 0.034 0.000 2.686 111 F HA 0.407 4.934 4.527 -0.000 0.000 0.311 111 F C -0.325 175.229 175.800 -0.411 0.000 1.128 111 F CA -1.364 56.531 58.000 -0.176 0.000 0.946 111 F CB 0.675 39.592 39.000 -0.139 0.000 1.336 111 F HN -0.349 nan 8.300 nan 0.000 0.457 112 T N -1.277 112.972 114.554 -0.508 0.000 2.847 112 T HA 0.709 5.059 4.350 -0.000 0.000 0.279 112 T C -0.897 173.728 174.700 -0.124 0.000 0.984 112 T CA -0.680 61.076 62.100 -0.574 0.000 0.988 112 T CB 1.785 70.123 68.868 -0.884 0.000 1.040 112 T HN 0.756 nan 8.240 nan 0.000 0.528 113 E N -0.505 119.583 120.200 -0.188 0.000 2.343 113 E HA 0.524 4.874 4.350 -0.000 0.000 0.278 113 E C -1.123 175.267 176.600 -0.349 0.000 0.910 113 E CA -1.207 55.105 56.400 -0.147 0.000 0.757 113 E CB 2.249 31.950 29.700 0.002 0.000 1.218 113 E HN 0.882 nan 8.360 nan 0.000 0.435 114 A N 2.078 124.676 122.820 -0.369 0.000 2.451 114 A HA 0.423 4.743 4.320 -0.000 0.000 0.266 114 A C -0.326 176.825 177.584 -0.722 0.000 1.119 114 A CA -0.042 51.729 52.037 -0.443 0.000 0.786 114 A CB 0.057 18.865 19.000 -0.321 0.000 1.061 114 A HN 0.266 nan 8.150 nan 0.000 0.503 115 V N 4.132 123.595 119.914 -0.751 0.000 2.686 115 V HA 0.222 4.341 4.120 -0.000 0.000 0.306 115 V C -0.392 175.280 176.094 -0.704 0.000 1.065 115 V CA -0.911 60.770 62.300 -1.031 0.000 0.894 115 V CB 1.915 32.946 31.823 -1.320 0.000 1.004 115 V HN 0.922 nan 8.190 nan 0.000 0.424 116 Q N 2.830 122.281 119.800 -0.582 0.000 2.289 116 Q HA 0.608 4.948 4.340 -0.000 0.000 0.273 116 Q C -0.006 175.816 176.000 -0.296 0.000 1.029 116 Q CA 0.242 55.844 55.803 -0.334 0.000 0.896 116 Q CB 1.613 30.238 28.738 -0.188 0.000 1.182 116 Q HN 0.942 nan 8.270 nan 0.000 0.385 117 A N 2.098 124.743 122.820 -0.292 0.000 2.569 117 A HA 0.797 5.117 4.320 -0.000 0.000 0.290 117 A C -0.954 176.584 177.584 -0.076 0.000 1.136 117 A CA -0.627 51.326 52.037 -0.140 0.000 0.710 117 A CB 1.616 20.508 19.000 -0.179 0.000 1.303 117 A HN 0.473 nan 8.150 nan 0.000 0.413 118 V N -1.600 118.380 119.914 0.110 0.000 2.789 118 V HA 0.678 4.797 4.120 -0.000 0.000 0.311 118 V C -0.746 175.442 176.094 0.157 0.000 1.073 118 V CA -0.792 61.589 62.300 0.135 0.000 0.921 118 V CB 1.351 33.233 31.823 0.098 0.000 1.009 118 V HN 0.914 nan 8.190 nan 0.000 0.426 119 Q N 1.973 121.810 119.800 0.060 0.000 2.288 119 Q HA 0.677 5.017 4.340 -0.000 0.000 0.254 119 Q C -0.244 175.755 176.000 -0.002 0.000 0.932 119 Q CA -0.555 55.163 55.803 -0.141 0.000 0.902 119 Q CB 2.055 30.626 28.738 -0.279 0.000 1.203 119 Q HN 0.998 nan 8.270 nan 0.000 0.415 120 V N -0.595 119.337 119.914 0.029 0.000 2.919 120 V HA 0.467 4.586 4.120 -0.000 0.000 0.316 120 V C -0.235 175.898 176.094 0.065 0.000 1.077 120 V CA -1.318 61.053 62.300 0.119 0.000 0.977 120 V CB 1.872 33.865 31.823 0.284 0.000 1.039 120 V HN 0.693 nan 8.190 nan 0.000 0.441 121 N N 2.842 121.587 118.700 0.075 0.000 2.452 121 N HA 0.236 4.976 4.740 -0.000 0.000 0.266 121 N C -1.785 173.726 175.510 0.002 0.000 1.209 121 N CA -1.498 51.575 53.050 0.039 0.000 0.929 121 N CB 1.399 39.916 38.487 0.050 0.000 1.063 121 N HN 0.461 nan 8.380 nan 0.000 0.472 122 P HA -0.118 nan 4.420 nan 0.000 0.216 122 P C 1.010 178.250 177.300 -0.099 0.000 1.150 122 P CA 1.684 64.753 63.100 -0.052 0.000 0.837 122 P CB 0.098 31.777 31.700 -0.033 0.000 0.786 123 T N -5.919 108.592 114.554 -0.072 0.000 3.129 123 T HA 0.073 4.422 4.350 -0.000 0.000 0.251 123 T C 0.614 175.263 174.700 -0.085 0.000 1.117 123 T CA 0.166 62.212 62.100 -0.090 0.000 1.034 123 T CB -0.676 68.163 68.868 -0.048 0.000 0.968 123 T HN -0.099 nan 8.240 nan 0.000 0.526 124 N N 0.066 118.729 118.700 -0.061 0.000 2.827 124 N HA 0.325 5.064 4.740 -0.000 0.000 0.240 124 N C 0.289 175.797 175.510 -0.004 0.000 1.352 124 N CA -0.468 52.566 53.050 -0.026 0.000 0.760 124 N CB 0.987 39.515 38.487 0.069 0.000 1.426 124 N HN -0.125 nan 8.380 nan 0.000 0.561 125 R N 0.680 121.085 120.500 -0.157 0.000 2.159 125 R HA 0.016 4.356 4.340 -0.000 0.000 0.237 125 R C 1.058 177.519 176.300 0.269 0.000 1.131 125 R CA 1.497 57.544 56.100 -0.089 0.000 0.982 125 R CB -0.325 29.595 30.300 -0.633 0.000 0.868 125 R HN 0.670 nan 8.270 nan 0.000 0.453 126 W N 0.736 122.147 121.300 0.185 0.000 2.364 126 W HA -0.127 4.533 4.660 -0.000 0.000 0.281 126 W C 0.892 177.512 176.519 0.168 0.000 1.219 126 W CA -0.105 57.365 57.345 0.209 0.000 1.220 126 W CB 0.091 29.615 29.460 0.108 0.000 1.127 126 W HN 0.156 nan 8.180 nan 0.000 0.556 127 Q N 1.744 121.761 119.800 0.362 0.000 2.314 127 Q HA 0.088 4.428 4.340 -0.000 0.000 0.259 127 Q C -0.683 175.428 176.000 0.184 0.000 0.951 127 Q CA -0.655 55.285 55.803 0.228 0.000 0.909 127 Q CB 0.917 29.753 28.738 0.163 0.000 1.236 127 Q HN -0.112 nan 8.270 nan 0.000 0.444 128 D N 4.111 124.604 120.400 0.154 0.000 2.329 128 D HA 0.201 4.840 4.640 -0.000 0.000 0.246 128 D C 0.706 177.054 176.300 0.079 0.000 1.111 128 D CA 0.010 54.081 54.000 0.118 0.000 0.941 128 D CB 1.039 41.900 40.800 0.101 0.000 1.169 128 D HN 0.702 nan 8.370 nan 0.000 0.441 129 I N -2.424 118.179 120.570 0.055 0.000 4.026 129 I HA 0.228 4.398 4.170 -0.000 0.000 0.324 129 I C -0.215 175.909 176.117 0.011 0.000 1.474 129 I CA -0.467 60.852 61.300 0.031 0.000 1.107 129 I CB 0.354 38.368 38.000 0.023 0.000 1.345 129 I HN 0.196 nan 8.210 nan 0.000 0.531 130 S N -0.355 115.363 115.700 0.030 0.000 2.567 130 S HA 0.763 5.233 4.470 -0.000 0.000 0.270 130 S C -0.182 174.467 174.600 0.081 0.000 1.152 130 S CA -0.262 57.959 58.200 0.035 0.000 0.835 130 S CB 1.024 64.251 63.200 0.045 0.000 1.115 130 S HN 0.318 nan 8.310 nan 0.000 0.459 131 G N 0.419 109.268 108.800 0.082 0.000 2.562 131 G HA2 0.625 4.585 3.960 -0.000 0.000 0.275 131 G HA3 0.625 4.585 3.960 -0.000 0.000 0.275 131 G C 0.326 175.341 174.900 0.190 0.000 1.196 131 G CA -0.447 44.712 45.100 0.098 0.000 0.908 131 G HN 1.454 nan 8.290 nan 0.000 0.524 132 A N -0.157 122.743 122.820 0.134 0.000 2.477 132 A HA 0.622 4.942 4.320 -0.000 0.000 0.246 132 A C -0.525 177.177 177.584 0.197 0.000 1.078 132 A CA 0.086 52.193 52.037 0.116 0.000 0.770 132 A CB -0.288 18.740 19.000 0.047 0.000 1.011 132 A HN 1.497 nan 8.150 nan 0.000 0.494 133 Y N -1.417 118.874 120.300 -0.015 0.000 2.624 133 Y HA 0.614 5.164 4.550 -0.000 0.000 0.334 133 Y C -0.287 175.577 175.900 -0.061 0.000 1.155 133 Y CA -1.026 57.056 58.100 -0.031 0.000 1.046 133 Y CB 0.485 38.929 38.460 -0.026 0.000 1.316 133 Y HN 0.422 nan 8.280 nan 0.000 0.457 134 T N 4.742 119.300 114.554 0.006 0.000 2.814 134 T HA 0.515 4.865 4.350 -0.000 0.000 0.297 134 T C -0.005 174.589 174.700 -0.177 0.000 0.956 134 T CA -0.103 61.897 62.100 -0.166 0.000 1.123 134 T CB -0.158 68.636 68.868 -0.124 0.000 0.902 134 T HN 0.689 nan 8.240 nan 0.000 0.528 135 I N -0.581 119.749 120.570 -0.399 0.000 2.846 135 I HA 0.649 4.818 4.170 -0.000 0.000 0.307 135 I C -0.993 174.880 176.117 -0.406 0.000 1.053 135 I CA -1.128 59.925 61.300 -0.411 0.000 1.050 135 I CB 2.320 39.888 38.000 -0.721 0.000 1.239 135 I HN 0.234 nan 8.210 nan 0.000 0.439 136 D N 4.112 124.296 120.400 -0.359 0.000 2.454 136 D HA 0.536 5.176 4.640 -0.000 0.000 0.225 136 D C -0.314 175.802 176.300 -0.307 0.000 1.081 136 D CA 0.085 53.879 54.000 -0.344 0.000 0.864 136 D CB 1.872 42.481 40.800 -0.319 0.000 1.040 136 D HN 0.756 nan 8.370 nan 0.000 0.517 137 A N 2.250 124.909 122.820 -0.268 0.000 2.282 137 A HA 0.490 4.810 4.320 -0.000 0.000 0.319 137 A C -0.783 176.742 177.584 -0.099 0.000 1.121 137 A CA -0.704 51.294 52.037 -0.065 0.000 0.836 137 A CB 0.709 19.760 19.000 0.085 0.000 1.146 137 A HN 0.508 nan 8.150 nan 0.000 0.494 138 W N 1.429 122.752 121.300 0.039 0.000 2.318 138 W HA 0.413 5.073 4.660 -0.000 0.000 0.362 138 W C 0.889 177.346 176.519 -0.102 0.000 0.978 138 W CA 0.450 57.763 57.345 -0.053 0.000 1.509 138 W CB 0.884 30.319 29.460 -0.042 0.000 1.437 138 W HN 0.789 nan 8.180 nan 0.000 0.361 139 T N -1.183 113.385 114.554 0.023 0.000 3.058 139 T HA 0.247 4.597 4.350 -0.000 0.000 0.278 139 T C 0.747 175.537 174.700 0.151 0.000 0.974 139 T CA -0.188 62.028 62.100 0.194 0.000 0.893 139 T CB 0.083 69.207 68.868 0.427 0.000 1.138 139 T HN 0.252 nan 8.240 nan 0.000 0.529 140 G N 1.321 109.787 108.800 -0.556 0.000 2.351 140 G HA2 0.532 4.491 3.960 -0.000 0.000 0.287 140 G HA3 0.532 4.491 3.960 -0.000 0.000 0.287 140 G C -1.148 173.201 174.900 -0.919 0.000 1.159 140 G CA -0.400 44.015 45.100 -1.141 0.000 0.929 140 G HN 0.327 nan 8.290 nan 0.000 0.435 141 F N 1.464 121.213 119.950 -0.335 0.000 2.460 141 F HA 0.362 4.889 4.527 -0.000 0.000 0.341 141 F C 0.307 175.763 175.800 -0.573 0.000 1.130 141 F CA -1.100 56.644 58.000 -0.426 0.000 0.962 141 F CB 2.554 41.274 39.000 -0.468 0.000 1.171 141 F HN 0.381 nan 8.300 nan 0.000 0.436 142 D N 2.751 122.962 120.400 -0.315 0.000 2.474 142 D HA 0.091 4.731 4.640 -0.000 0.000 0.213 142 D C 0.229 176.493 176.300 -0.059 0.000 1.120 142 D CA 0.272 54.189 54.000 -0.137 0.000 0.836 142 D CB 0.218 41.082 40.800 0.106 0.000 1.019 142 D HN 0.391 nan 8.370 nan 0.000 0.507 143 F N 1.232 121.356 119.950 0.289 0.000 3.004 143 F HA -0.240 4.287 4.527 -0.000 0.000 0.264 143 F C 0.266 176.166 175.800 0.166 0.000 0.979 143 F CA -0.123 58.026 58.000 0.248 0.000 0.896 143 F CB -2.861 36.198 39.000 0.098 0.000 0.813 143 F HN -0.274 nan 8.300 nan 0.000 0.804 144 S N 0.241 116.105 115.700 0.274 0.000 2.525 144 S HA 0.448 4.918 4.470 -0.000 0.000 0.285 144 S C 1.300 176.008 174.600 0.180 0.000 1.283 144 S CA 0.301 58.606 58.200 0.175 0.000 1.072 144 S CB 1.226 64.510 63.200 0.139 0.000 0.867 144 S HN 1.284 nan 8.310 nan 0.000 0.492 145 G N 3.296 112.165 108.800 0.116 0.000 2.481 145 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.200 145 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.200 145 G C 0.857 175.762 174.900 0.008 0.000 1.012 145 G CA 0.115 45.292 45.100 0.128 0.000 0.676 145 G HN 0.609 nan 8.290 nan 0.000 0.488 146 R N 1.353 121.739 120.500 -0.190 0.000 2.161 146 R HA 0.169 4.509 4.340 -0.000 0.000 0.213 146 R C 1.309 177.289 176.300 -0.535 0.000 1.055 146 R CA 1.153 56.741 56.100 -0.853 0.000 0.996 146 R CB -0.450 29.403 30.300 -0.744 0.000 0.901 146 R HN 0.486 nan 8.270 nan 0.000 0.456 147 N N 0.953 119.527 118.700 -0.211 0.000 2.738 147 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 147 N C -1.066 174.346 175.510 -0.163 0.000 1.047 147 N CA 0.433 53.407 53.050 -0.126 0.000 0.707 147 N CB -0.907 37.527 38.487 -0.089 0.000 0.937 147 N HN 0.551 nan 8.380 nan 0.000 0.545 148 N N -2.796 115.808 118.700 -0.160 0.000 2.693 148 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 148 N C 0.023 175.372 175.510 -0.269 0.000 1.119 148 N CA 1.233 54.182 53.050 -0.168 0.000 0.717 148 N CB -1.386 37.047 38.487 -0.089 0.000 1.071 148 N HN 0.624 nan 8.380 nan 0.000 0.555 149 A N -0.448 122.125 122.820 -0.411 0.000 2.440 149 A HA 0.420 4.739 4.320 -0.000 0.000 0.251 149 A C 0.853 178.086 177.584 -0.586 0.000 1.089 149 A CA 0.301 52.008 52.037 -0.549 0.000 0.779 149 A CB 0.140 18.717 19.000 -0.706 0.000 1.022 149 A HN 0.362 nan 8.150 nan 0.000 0.492 150 Y N -0.168 120.004 120.300 -0.212 0.000 3.694 150 Y HA -0.243 4.307 4.550 -0.000 0.000 0.400 150 Y C 0.748 176.271 175.900 -0.629 0.000 1.200 150 Y CA 1.427 59.277 58.100 -0.417 0.000 2.245 150 Y CB -1.962 36.060 38.460 -0.730 0.000 0.883 150 Y HN 1.594 nan 8.280 nan 0.000 0.478 151 S N -0.132 115.254 115.700 -0.522 0.000 2.606 151 S HA 0.501 4.971 4.470 -0.000 0.000 0.290 151 S C -0.919 173.507 174.600 -0.291 0.000 1.103 151 S CA -0.164 57.745 58.200 -0.485 0.000 0.870 151 S CB 1.002 63.621 63.200 -0.969 0.000 1.077 151 S HN 0.326 nan 8.310 nan 0.000 0.448 152 D N 1.949 122.291 120.400 -0.097 0.000 2.501 152 D HA 0.220 4.860 4.640 -0.000 0.000 0.224 152 D C -0.029 176.320 176.300 0.081 0.000 1.202 152 D CA -0.328 53.669 54.000 -0.005 0.000 0.829 152 D CB -0.197 40.594 40.800 -0.016 0.000 1.023 152 D HN 0.316 nan 8.370 nan 0.000 0.499 153 F N 2.220 122.141 119.950 -0.049 0.000 2.538 153 F HA 0.266 4.793 4.527 -0.000 0.000 0.371 153 F C 0.165 176.008 175.800 0.071 0.000 1.087 153 F CA -0.072 57.887 58.000 -0.070 0.000 1.250 153 F CB 0.590 39.490 39.000 -0.167 0.000 1.110 153 F HN -0.304 nan 8.300 nan 0.000 0.570 154 K N 5.851 126.051 120.400 -0.333 0.000 2.259 154 K HA 0.222 4.542 4.320 -0.000 0.000 0.252 154 K C -1.441 175.024 176.600 -0.224 0.000 0.936 154 K CA -0.505 55.755 56.287 -0.046 0.000 0.810 154 K CB 1.397 33.871 32.500 -0.042 0.000 1.143 154 K HN 0.616 nan 8.250 nan 0.000 0.427 155 W N 1.350 122.708 121.300 0.096 0.000 2.449 155 W HA 0.445 5.105 4.660 -0.000 0.000 0.331 155 W C 0.471 177.071 176.519 0.136 0.000 1.119 155 W CA -0.276 57.202 57.345 0.223 0.000 1.240 155 W CB 0.954 30.509 29.460 0.159 0.000 1.251 155 W HN 0.304 nan 8.180 nan 0.000 0.576 156 R N 2.054 122.587 120.500 0.056 0.000 2.774 156 R HA 0.239 4.578 4.340 -0.000 0.000 0.272 156 R C 0.949 177.087 176.300 -0.271 0.000 1.000 156 R CA -0.964 54.926 56.100 -0.349 0.000 0.906 156 R CB 0.469 30.071 30.300 -1.164 0.000 1.227 156 R HN 0.692 nan 8.270 nan 0.000 0.468 157 W N 2.379 123.671 121.300 -0.013 0.000 2.292 157 W HA -0.286 4.374 4.660 -0.000 0.000 0.304 157 W C 0.800 177.503 176.519 0.307 0.000 1.228 157 W CA 1.601 59.139 57.345 0.321 0.000 1.241 157 W CB -0.858 28.664 29.460 0.102 0.000 1.142 157 W HN 0.620 nan 8.180 nan 0.000 0.520 158 F N 0.325 119.686 119.950 -0.983 0.000 2.722 158 F HA 0.119 4.646 4.527 -0.000 0.000 0.298 158 F C 1.739 177.249 175.800 -0.483 0.000 1.175 158 F CA 1.214 58.592 58.000 -1.038 0.000 1.462 158 F CB -1.789 36.340 39.000 -1.452 0.000 1.111 158 F HN -0.023 nan 8.300 nan 0.000 0.592 159 H N -1.556 117.290 119.070 -0.373 0.000 2.563 159 H HA 0.223 4.779 4.556 -0.000 0.000 0.264 159 H C 0.038 175.222 175.328 -0.240 0.000 0.957 159 H CA -0.237 55.629 56.048 -0.303 0.000 1.173 159 H CB 0.209 29.654 29.762 -0.530 0.000 1.420 159 H HN 0.209 nan 8.280 nan 0.000 0.551 160 F N 0.413 120.597 119.950 0.389 0.000 2.544 160 F HA 0.198 4.724 4.527 -0.000 0.000 0.378 160 F C 1.184 177.121 175.800 0.228 0.000 1.112 160 F CA -0.926 57.248 58.000 0.291 0.000 1.115 160 F CB 0.626 39.803 39.000 0.294 0.000 1.436 160 F HN 0.038 nan 8.300 nan 0.000 0.496 161 N N -1.243 117.499 118.700 0.070 0.000 1.938 161 N HA 0.294 5.034 4.740 -0.000 0.000 0.225 161 N C -0.431 174.605 175.510 -0.791 0.000 1.400 161 N CA 0.371 53.302 53.050 -0.199 0.000 0.772 161 N CB 1.027 39.565 38.487 0.084 0.000 1.124 161 N HN 0.767 nan 8.380 nan 0.000 0.513 162 G N 0.022 108.308 108.800 -0.856 0.000 2.579 162 G HA2 0.575 4.535 3.960 -0.000 0.000 0.292 162 G HA3 0.575 4.535 3.960 -0.000 0.000 0.292 162 G C -1.664 173.149 174.900 -0.144 0.000 1.484 162 G CA -0.155 44.652 45.100 -0.489 0.000 0.813 162 G HN 0.685 nan 8.290 nan 0.000 0.515 163 V N -2.015 117.868 119.914 -0.051 0.000 3.216 163 V HA 0.818 4.938 4.120 -0.000 0.000 0.302 163 V C -0.446 175.686 176.094 0.063 0.000 1.286 163 V CA -0.319 62.062 62.300 0.136 0.000 1.048 163 V CB 2.208 34.208 31.823 0.295 0.000 1.081 163 V HN 0.873 nan 8.190 nan 0.000 0.442 164 D N -0.803 119.746 120.400 0.249 0.000 2.440 164 D HA 0.182 4.821 4.640 -0.000 0.000 0.216 164 D C -0.049 176.581 176.300 0.551 0.000 1.150 164 D CA 0.045 54.225 54.000 0.300 0.000 0.832 164 D CB 0.591 41.581 40.800 0.316 0.000 0.992 164 D HN 0.745 nan 8.370 nan 0.000 0.502 165 W N 1.448 122.960 121.300 0.354 0.000 3.274 165 W HA 0.413 5.073 4.660 -0.000 0.000 0.327 165 W C -2.138 174.525 176.519 0.240 0.000 1.172 165 W CA -0.801 56.739 57.345 0.325 0.000 1.217 165 W CB 2.070 31.660 29.460 0.217 0.000 1.376 165 W HN -0.172 nan 8.180 nan 0.000 0.507 166 D N 3.597 123.629 120.400 -0.613 0.000 2.440 166 D HA 0.122 4.762 4.640 -0.000 0.000 0.239 166 D C 0.607 176.435 176.300 -0.787 0.000 1.084 166 D CA -0.136 53.501 54.000 -0.606 0.000 0.843 166 D CB 2.032 42.562 40.800 -0.450 0.000 1.097 166 D HN 0.307 nan 8.370 nan 0.000 0.531 167 Q N 3.376 122.970 119.800 -0.344 0.000 2.297 167 Q HA -0.044 4.295 4.340 -0.000 0.000 0.204 167 Q C 1.736 177.654 176.000 -0.137 0.000 0.962 167 Q CA 1.321 57.110 55.803 -0.024 0.000 0.879 167 Q CB 0.045 28.895 28.738 0.188 0.000 0.947 167 Q HN 0.606 nan 8.270 nan 0.000 0.462 168 R N -1.222 119.120 120.500 -0.264 0.000 2.064 168 R HA -0.140 4.199 4.340 -0.000 0.000 0.228 168 R C 1.119 177.160 176.300 -0.431 0.000 1.144 168 R CA 1.822 57.690 56.100 -0.386 0.000 0.932 168 R CB -0.283 29.701 30.300 -0.526 0.000 0.833 168 R HN 0.367 nan 8.270 nan 0.000 0.429 169 Y N 0.795 121.034 120.300 -0.102 0.000 2.466 169 Y HA 0.219 4.769 4.550 -0.000 0.000 0.272 169 Y C -0.146 175.685 175.900 -0.114 0.000 1.169 169 Y CA -0.163 57.900 58.100 -0.062 0.000 1.285 169 Y CB 0.288 38.745 38.460 -0.005 0.000 1.078 169 Y HN 0.191 nan 8.280 nan 0.000 0.523 170 Q N 1.644 121.334 119.800 -0.184 0.000 2.409 170 Q HA -0.213 4.127 4.340 -0.000 0.000 0.363 170 Q C -0.962 174.767 176.000 -0.451 0.000 1.356 170 Q CA 0.811 56.353 55.803 -0.435 0.000 1.044 170 Q CB -1.336 27.453 28.738 0.084 0.000 1.173 170 Q HN 0.597 nan 8.270 nan 0.000 0.309 171 E N 0.733 120.470 120.200 -0.773 0.000 2.430 171 E HA 0.478 4.828 4.350 -0.000 0.000 0.279 171 E C -1.045 175.489 176.600 -0.109 0.000 1.003 171 E CA -1.071 55.201 56.400 -0.213 0.000 0.801 171 E CB 1.330 31.097 29.700 0.111 0.000 1.313 171 E HN 0.286 nan 8.360 nan 0.000 0.459 172 N N 0.662 119.382 118.700 0.033 0.000 2.372 172 N HA 0.424 5.163 4.740 -0.000 0.000 0.291 172 N C -1.316 173.984 175.510 -0.351 0.000 1.024 172 N CA -0.356 52.776 53.050 0.137 0.000 0.873 172 N CB 0.901 39.512 38.487 0.208 0.000 1.206 172 N HN 0.314 nan 8.380 nan 0.000 0.486 173 H N 0.639 119.717 119.070 0.012 0.000 3.014 173 H HA 0.289 4.845 4.556 -0.000 0.000 0.337 173 H C -0.971 174.129 175.328 -0.380 0.000 1.320 173 H CA -0.594 55.220 56.048 -0.391 0.000 1.128 173 H CB 1.247 30.335 29.762 -1.123 0.000 1.862 173 H HN 0.269 nan 8.280 nan 0.000 0.536 174 I N 2.785 123.228 120.570 -0.213 0.000 2.287 174 I HA 0.137 4.306 4.170 -0.000 0.000 0.290 174 I C -0.211 175.813 176.117 -0.155 0.000 1.069 174 I CA -0.017 61.189 61.300 -0.157 0.000 1.237 174 I CB -1.245 36.718 38.000 -0.061 0.000 1.418 174 I HN 0.261 nan 8.210 nan 0.000 0.481 175 F N 5.465 125.426 119.950 0.018 0.000 2.405 175 F HA 0.420 4.947 4.527 -0.000 0.000 0.355 175 F C 1.050 176.898 175.800 0.080 0.000 1.121 175 F CA -0.516 57.528 58.000 0.073 0.000 1.112 175 F CB 0.945 39.996 39.000 0.086 0.000 1.126 175 F HN 0.352 nan 8.300 nan 0.000 0.481 176 R N 4.069 124.703 120.500 0.223 0.000 2.265 176 R HA 0.342 4.681 4.340 -0.000 0.000 0.319 176 R C -0.967 175.392 176.300 0.099 0.000 1.006 176 R CA -0.725 55.272 56.100 -0.172 0.000 0.880 176 R CB 0.478 30.508 30.300 -0.449 0.000 1.077 176 R HN 0.354 nan 8.270 nan 0.000 0.454 177 F N 2.463 122.370 119.950 -0.072 0.000 2.578 177 F HA 0.088 4.614 4.527 -0.000 0.000 0.376 177 F C 1.074 176.875 175.800 0.001 0.000 1.085 177 F CA -0.800 57.221 58.000 0.036 0.000 1.260 177 F CB 0.108 39.233 39.000 0.208 0.000 1.095 177 F HN 0.588 nan 8.300 nan 0.000 0.573 178 A N 3.906 126.832 122.820 0.177 0.000 2.540 178 A HA 0.157 4.477 4.320 -0.000 0.000 0.239 178 A C 0.880 178.543 177.584 0.132 0.000 1.061 178 A CA 0.452 52.547 52.037 0.097 0.000 0.758 178 A CB -0.634 18.389 19.000 0.038 0.000 0.991 178 A HN 0.991 nan 8.150 nan 0.000 0.502 179 N N -1.204 117.550 118.700 0.090 0.000 2.909 179 N HA -0.195 4.545 4.740 -0.000 0.000 0.242 179 N C 0.094 175.677 175.510 0.121 0.000 0.975 179 N CA 1.303 54.411 53.050 0.097 0.000 0.921 179 N CB -1.552 36.999 38.487 0.107 0.000 1.112 179 N HN 1.047 nan 8.380 nan 0.000 0.581 180 T N -2.092 112.536 114.554 0.123 0.000 2.945 180 T HA 0.648 4.997 4.350 -0.000 0.000 0.286 180 T C -0.249 174.460 174.700 0.014 0.000 1.025 180 T CA -0.839 61.338 62.100 0.128 0.000 1.039 180 T CB 2.059 71.057 68.868 0.217 0.000 1.068 180 T HN 0.127 nan 8.240 nan 0.000 0.497 181 N N -0.511 118.221 118.700 0.053 0.000 2.384 181 N HA 0.452 5.192 4.740 -0.000 0.000 0.301 181 N C -1.093 174.512 175.510 0.158 0.000 1.133 181 N CA -0.868 52.226 53.050 0.073 0.000 0.853 181 N CB 1.146 39.736 38.487 0.173 0.000 1.241 181 N HN 0.689 nan 8.380 nan 0.000 0.502 182 W N 0.840 122.309 121.300 0.282 0.000 2.158 182 W HA 0.126 4.785 4.660 -0.000 0.000 0.339 182 W C 0.914 177.628 176.519 0.325 0.000 1.294 182 W CA -0.575 56.922 57.345 0.253 0.000 1.231 182 W CB 0.360 29.914 29.460 0.157 0.000 1.143 182 W HN 0.306 nan 8.180 nan 0.000 0.571 183 N N 1.541 120.605 118.700 0.607 0.000 2.307 183 N HA -0.006 4.734 4.740 -0.000 0.000 0.230 183 N C -0.715 175.154 175.510 0.598 0.000 1.297 183 N CA 0.563 53.920 53.050 0.512 0.000 0.884 183 N CB 0.540 39.261 38.487 0.389 0.000 1.115 183 N HN 0.456 nan 8.380 nan 0.000 0.436 184 W N 0.707 122.194 121.300 0.311 0.000 3.645 184 W HA 0.166 4.825 4.660 -0.000 0.000 0.285 184 W C -0.940 175.787 176.519 0.347 0.000 1.266 184 W CA -0.488 56.998 57.345 0.235 0.000 1.212 184 W CB 1.177 30.815 29.460 0.297 0.000 1.306 184 W HN 0.461 nan 8.180 nan 0.000 0.552 185 R N 3.007 123.321 120.500 -0.309 0.000 2.531 185 R HA 0.578 4.917 4.340 -0.000 0.000 0.273 185 R C -0.424 174.933 176.300 -1.572 0.000 1.070 185 R CA 0.030 55.190 56.100 -1.566 0.000 1.112 185 R CB 1.342 30.804 30.300 -1.397 0.000 1.049 185 R HN 0.338 nan 8.270 nan 0.000 0.508 186 V N -0.812 118.167 119.914 -1.557 0.000 3.226 186 V HA 0.340 4.459 4.120 -0.000 0.000 0.304 186 V C -0.892 174.882 176.094 -0.534 0.000 1.336 186 V CA -1.225 60.535 62.300 -0.901 0.000 1.066 186 V CB 1.547 33.177 31.823 -0.322 0.000 1.087 186 V HN 0.858 nan 8.190 nan 0.000 0.451 187 D N 0.405 120.724 120.400 -0.135 0.000 2.525 187 D HA 0.107 4.746 4.640 -0.000 0.000 0.235 187 D C 0.776 177.071 176.300 -0.009 0.000 1.137 187 D CA 0.713 54.706 54.000 -0.012 0.000 0.868 187 D CB 0.876 41.623 40.800 -0.087 0.000 1.180 187 D HN 0.753 nan 8.370 nan 0.000 0.465 188 E N 1.572 121.792 120.200 0.034 0.000 2.437 188 E HA 0.004 4.354 4.350 -0.000 0.000 0.189 188 E C -0.174 176.456 176.600 0.049 0.000 1.054 188 E CA -0.094 56.364 56.400 0.098 0.000 0.874 188 E CB 0.228 30.041 29.700 0.188 0.000 1.011 188 E HN 0.505 nan 8.360 nan 0.000 0.474 189 E N 1.534 121.760 120.200 0.043 0.000 2.344 189 E HA -0.042 4.308 4.350 -0.000 0.000 0.270 189 E C -0.023 176.445 176.600 -0.221 0.000 1.021 189 E CA 0.056 56.440 56.400 -0.027 0.000 0.887 189 E CB 0.242 29.985 29.700 0.071 0.000 0.997 189 E HN 0.040 nan 8.360 nan 0.000 0.429 190 N N 2.935 121.510 118.700 -0.209 0.000 2.850 190 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 190 N C 0.649 176.018 175.510 -0.235 0.000 1.060 190 N CA 0.957 53.846 53.050 -0.268 0.000 0.825 190 N CB -1.493 36.697 38.487 -0.494 0.000 1.132 190 N HN 0.884 nan 8.380 nan 0.000 0.564 191 G N 0.817 109.538 108.800 -0.131 0.000 3.909 191 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 191 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 191 G C -0.180 174.497 174.900 -0.371 0.000 1.404 191 G CA 0.579 45.606 45.100 -0.120 0.000 0.905 191 G HN 0.673 nan 8.290 nan 0.000 0.589 192 N N -0.574 117.730 118.700 -0.660 0.000 2.594 192 N HA 0.323 5.063 4.740 -0.000 0.000 0.280 192 N C -0.879 174.356 175.510 -0.459 0.000 1.156 192 N CA -0.485 52.173 53.050 -0.652 0.000 0.831 192 N CB 0.840 38.478 38.487 -1.415 0.000 1.379 192 N HN 0.166 nan 8.380 nan 0.000 0.536 193 Y N 2.323 122.445 120.300 -0.298 0.000 2.627 193 Y HA 0.086 4.636 4.550 -0.000 0.000 0.339 193 Y C 1.503 177.345 175.900 -0.098 0.000 1.137 193 Y CA -0.446 57.545 58.100 -0.181 0.000 1.361 193 Y CB -0.345 38.054 38.460 -0.101 0.000 1.180 193 Y HN 0.617 nan 8.280 nan 0.000 0.512 194 D N -0.353 120.011 120.400 -0.059 0.000 2.097 194 D HA -0.237 4.402 4.640 -0.000 0.000 0.195 194 D C 0.156 176.476 176.300 0.032 0.000 0.989 194 D CA 1.085 55.097 54.000 0.019 0.000 0.827 194 D CB -0.235 40.615 40.800 0.083 0.000 0.966 194 D HN 0.256 nan 8.370 nan 0.000 0.456 195 Y N 0.255 120.412 120.300 -0.238 0.000 2.336 195 Y HA 0.327 4.876 4.550 -0.000 0.000 0.335 195 Y C 0.530 176.388 175.900 -0.069 0.000 1.046 195 Y CA -0.456 57.564 58.100 -0.133 0.000 1.198 195 Y CB 1.055 39.376 38.460 -0.233 0.000 1.182 195 Y HN -0.004 nan 8.280 nan 0.000 0.502 196 L N 6.516 127.121 121.223 -1.031 0.000 2.675 196 L HA 0.495 4.834 4.340 -0.000 0.000 0.178 196 L C -0.892 175.447 176.870 -0.886 0.000 1.135 196 L CA 0.832 55.190 54.840 -0.802 0.000 0.855 196 L CB 0.307 41.797 42.059 -0.948 0.000 1.235 196 L HN 0.655 nan 8.230 nan 0.000 0.499 197 L N -4.005 116.564 121.223 -1.091 0.000 2.892 197 L HA 0.767 5.107 4.340 -0.000 0.000 0.269 197 L C 0.057 176.621 176.870 -0.509 0.000 1.058 197 L CA -0.535 53.943 54.840 -0.604 0.000 0.923 197 L CB 0.877 42.693 42.059 -0.405 0.000 1.518 197 L HN 0.448 nan 8.230 nan 0.000 0.402 198 G N 0.956 109.685 108.800 -0.117 0.000 2.601 198 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.261 198 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.261 198 G C -0.282 174.709 174.900 0.153 0.000 1.289 198 G CA -0.001 45.092 45.100 -0.012 0.000 0.920 198 G HN 1.016 nan 8.290 nan 0.000 0.571 199 S N 0.847 116.586 115.700 0.064 0.000 2.399 199 S HA 0.418 4.887 4.470 -0.000 0.000 0.301 199 S C 0.339 175.018 174.600 0.132 0.000 1.093 199 S CA -0.275 57.867 58.200 -0.097 0.000 1.077 199 S CB 0.969 63.698 63.200 -0.785 0.000 0.980 199 S HN 0.754 nan 8.310 nan 0.000 0.494 200 N N 3.297 122.202 118.700 0.342 0.000 2.452 200 N HA 0.143 4.883 4.740 -0.000 0.000 0.266 200 N C -0.398 175.419 175.510 0.512 0.000 1.175 200 N CA 0.006 53.300 53.050 0.406 0.000 0.945 200 N CB 0.222 39.020 38.487 0.517 0.000 1.063 200 N HN 0.515 nan 8.380 nan 0.000 0.472 201 I N 1.726 122.506 120.570 0.348 0.000 2.529 201 I HA 0.026 4.196 4.170 -0.000 0.000 0.284 201 I C 0.333 176.426 176.117 -0.039 0.000 1.082 201 I CA -0.045 61.282 61.300 0.045 0.000 1.406 201 I CB 0.604 38.376 38.000 -0.380 0.000 1.405 201 I HN 0.492 nan 8.210 nan 0.000 0.548 202 D N 6.431 126.791 120.400 -0.067 0.000 2.412 202 D HA 0.169 4.808 4.640 -0.000 0.000 0.224 202 D C 0.345 176.521 176.300 -0.205 0.000 1.093 202 D CA -0.371 53.632 54.000 0.005 0.000 0.850 202 D CB 0.720 41.555 40.800 0.058 0.000 1.046 202 D HN 0.257 nan 8.370 nan 0.000 0.507 203 F N 1.488 121.410 119.950 -0.047 0.000 2.748 203 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 203 F C 2.618 178.471 175.800 0.088 0.000 1.154 203 F CA 0.292 58.224 58.000 -0.114 0.000 1.446 203 F CB -0.239 38.539 39.000 -0.370 0.000 1.112 203 F HN 0.358 nan 8.300 nan 0.000 0.584 204 S N -1.266 114.526 115.700 0.154 0.000 2.419 204 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 204 S C 0.690 175.309 174.600 0.032 0.000 1.016 204 S CA 0.687 58.953 58.200 0.110 0.000 0.974 204 S CB -0.839 62.349 63.200 -0.021 0.000 0.786 204 S HN 0.308 nan 8.310 nan 0.000 0.492 205 H N 2.707 121.872 119.070 0.158 0.000 2.878 205 H HA 0.265 4.821 4.556 -0.000 0.000 0.290 205 H C -1.856 173.533 175.328 0.102 0.000 1.065 205 H CA -2.123 53.991 56.048 0.110 0.000 1.477 205 H CB 0.387 30.209 29.762 0.100 0.000 1.484 205 H HN 0.204 nan 8.280 nan 0.000 0.504 206 P HA -0.194 nan 4.420 nan 0.000 0.217 206 P C 1.492 178.870 177.300 0.130 0.000 1.148 206 P CA 1.376 64.577 63.100 0.169 0.000 0.828 206 P CB 0.450 32.230 31.700 0.135 0.000 0.783 207 E N -0.670 119.604 120.200 0.123 0.000 2.204 207 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 207 E C 1.884 178.460 176.600 -0.040 0.000 0.989 207 E CA 1.035 57.491 56.400 0.094 0.000 0.824 207 E CB -1.349 28.443 29.700 0.155 0.000 0.756 207 E HN 0.140 nan 8.360 nan 0.000 0.477 208 V N 1.823 121.691 119.914 -0.078 0.000 2.283 208 V HA -0.245 3.875 4.120 -0.000 0.000 0.243 208 V C 2.605 178.588 176.094 -0.185 0.000 1.039 208 V CA 1.904 64.022 62.300 -0.303 0.000 1.016 208 V CB -0.721 30.946 31.823 -0.260 0.000 0.650 208 V HN 0.178 nan 8.190 nan 0.000 0.449 209 Q N -0.058 119.732 119.800 -0.017 0.000 2.133 209 Q HA -0.271 4.069 4.340 -0.000 0.000 0.208 209 Q C 1.956 178.114 176.000 0.263 0.000 0.991 209 Q CA 2.023 57.939 55.803 0.189 0.000 0.867 209 Q CB -0.265 28.693 28.738 0.367 0.000 0.911 209 Q HN 0.663 nan 8.270 nan 0.000 0.417 210 D N -0.142 120.323 120.400 0.109 0.000 2.194 210 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 210 D C 1.745 178.065 176.300 0.033 0.000 0.964 210 D CA 0.791 54.829 54.000 0.062 0.000 0.846 210 D CB -0.050 40.778 40.800 0.046 0.000 0.962 210 D HN 0.181 nan 8.370 nan 0.000 0.490 211 E N 1.132 121.257 120.200 -0.124 0.000 2.106 211 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 211 E C 2.071 178.699 176.600 0.047 0.000 0.984 211 E CA 0.699 56.944 56.400 -0.260 0.000 0.806 211 E CB -0.330 28.705 29.700 -1.108 0.000 0.750 211 E HN 0.238 nan 8.360 nan 0.000 0.458 212 L N -0.179 121.137 121.223 0.156 0.000 2.240 212 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 212 L C 2.354 179.670 176.870 0.742 0.000 1.106 212 L CA 0.817 55.928 54.840 0.451 0.000 0.793 212 L CB -0.185 42.118 42.059 0.406 0.000 0.927 212 L HN 0.065 nan 8.230 nan 0.000 0.446 213 K N -0.049 120.661 120.400 0.516 0.000 2.031 213 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 213 K C 1.661 178.426 176.600 0.275 0.000 1.049 213 K CA 1.267 57.721 56.287 0.278 0.000 0.939 213 K CB -0.080 32.269 32.500 -0.251 0.000 0.717 213 K HN 0.167 nan 8.250 nan 0.000 0.438 214 D N 0.285 120.833 120.400 0.247 0.000 2.104 214 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 214 D C 1.530 178.047 176.300 0.360 0.000 0.994 214 D CA 0.943 55.110 54.000 0.278 0.000 0.830 214 D CB -0.342 40.596 40.800 0.229 0.000 0.959 214 D HN 0.302 nan 8.370 nan 0.000 0.452 215 W N 2.091 123.549 121.300 0.265 0.000 2.354 215 W HA -0.101 4.559 4.660 -0.000 0.000 0.315 215 W C 2.379 179.099 176.519 0.335 0.000 1.206 215 W CA 2.444 59.921 57.345 0.220 0.000 1.290 215 W CB -0.848 28.554 29.460 -0.098 0.000 1.152 215 W HN -0.010 nan 8.180 nan 0.000 0.489 216 G N -0.055 108.722 108.800 -0.038 0.000 2.513 216 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.219 216 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.219 216 G C 1.660 176.416 174.900 -0.240 0.000 1.160 216 G CA 1.836 46.788 45.100 -0.247 0.000 0.767 216 G HN 0.408 nan 8.290 nan 0.000 0.571 217 S N -0.634 115.016 115.700 -0.083 0.000 2.356 217 S HA -0.162 4.308 4.470 -0.000 0.000 0.223 217 S C 1.978 176.553 174.600 -0.042 0.000 1.032 217 S CA 1.655 59.816 58.200 -0.065 0.000 1.005 217 S CB -0.484 62.722 63.200 0.010 0.000 0.867 217 S HN 0.615 nan 8.310 nan 0.000 0.449 218 W N 1.264 122.510 121.300 -0.091 0.000 2.318 218 W HA -0.176 4.484 4.660 -0.000 0.000 0.313 218 W C 1.792 178.256 176.519 -0.093 0.000 1.221 218 W CA 1.759 59.085 57.345 -0.033 0.000 1.266 218 W CB -0.936 28.601 29.460 0.128 0.000 1.150 218 W HN 0.380 nan 8.180 nan 0.000 0.496 219 F N 1.488 121.113 119.950 -0.542 0.000 2.026 219 F HA -0.234 4.293 4.527 -0.000 0.000 0.296 219 F C 2.537 178.039 175.800 -0.498 0.000 1.133 219 F CA 2.774 60.361 58.000 -0.689 0.000 1.188 219 F CB -1.181 37.291 39.000 -0.880 0.000 0.968 219 F HN -0.223 nan 8.300 nan 0.000 0.476 220 T N 0.327 114.686 114.554 -0.325 0.000 2.685 220 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 220 T C 1.432 175.936 174.700 -0.327 0.000 1.034 220 T CA 1.912 63.854 62.100 -0.263 0.000 1.149 220 T CB -0.470 68.366 68.868 -0.053 0.000 0.860 220 T HN 0.253 nan 8.240 nan 0.000 0.449 221 D N 0.336 120.540 120.400 -0.326 0.000 2.149 221 D HA -0.024 4.616 4.640 -0.000 0.000 0.201 221 D C 2.169 178.239 176.300 -0.383 0.000 0.972 221 D CA 0.774 54.598 54.000 -0.294 0.000 0.835 221 D CB -0.354 40.317 40.800 -0.214 0.000 0.966 221 D HN 0.381 nan 8.370 nan 0.000 0.476 222 E N 0.085 119.913 120.200 -0.620 0.000 2.150 222 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 222 E C 1.656 177.970 176.600 -0.476 0.000 0.985 222 E CA 0.707 56.718 56.400 -0.648 0.000 0.814 222 E CB -0.001 28.991 29.700 -1.180 0.000 0.752 222 E HN 0.234 nan 8.360 nan 0.000 0.466 223 L N -0.446 120.468 121.223 -0.514 0.000 2.664 223 L HA 0.151 4.491 4.340 -0.000 0.000 0.233 223 L C 0.196 176.874 176.870 -0.320 0.000 1.113 223 L CA 0.226 54.812 54.840 -0.424 0.000 0.896 223 L CB 0.295 42.023 42.059 -0.551 0.000 1.163 223 L HN 0.089 nan 8.230 nan 0.000 0.497 224 D N 1.392 121.616 120.400 -0.294 0.000 2.716 224 D HA -0.175 4.465 4.640 -0.000 0.000 0.239 224 D C 0.091 176.278 176.300 -0.189 0.000 1.125 224 D CA 0.457 54.331 54.000 -0.210 0.000 0.681 224 D CB -1.037 39.663 40.800 -0.167 0.000 1.070 224 D HN 0.128 nan 8.370 nan 0.000 0.432 225 L N -0.284 120.809 121.223 -0.217 0.000 2.456 225 L HA 0.220 4.560 4.340 -0.000 0.000 0.246 225 L C 1.608 178.404 176.870 -0.123 0.000 1.238 225 L CA 0.050 54.791 54.840 -0.167 0.000 0.826 225 L CB 0.183 42.127 42.059 -0.191 0.000 1.150 225 L HN 0.018 nan 8.230 nan 0.000 0.514 226 D N -0.798 119.576 120.400 -0.044 0.000 2.525 226 D HA 0.304 4.943 4.640 -0.000 0.000 0.231 226 D C 0.321 176.605 176.300 -0.028 0.000 1.216 226 D CA 0.314 54.326 54.000 0.021 0.000 0.813 226 D CB 1.823 42.721 40.800 0.163 0.000 1.108 226 D HN 0.709 nan 8.370 nan 0.000 0.524 227 G N 0.067 108.721 108.800 -0.243 0.000 2.315 227 G HA2 0.394 4.354 3.960 -0.000 0.000 0.294 227 G HA3 0.394 4.354 3.960 -0.000 0.000 0.294 227 G C -2.168 172.371 174.900 -0.602 0.000 1.300 227 G CA -0.883 43.860 45.100 -0.595 0.000 0.843 227 G HN 0.015 nan 8.290 nan 0.000 0.527 228 Y N -0.938 119.340 120.300 -0.037 0.000 2.588 228 Y HA 0.800 5.349 4.550 -0.000 0.000 0.343 228 Y C 0.149 176.030 175.900 -0.031 0.000 1.065 228 Y CA -1.229 56.928 58.100 0.096 0.000 1.038 228 Y CB 2.144 40.729 38.460 0.210 0.000 1.297 228 Y HN 0.499 nan 8.280 nan 0.000 0.467 229 R N 2.960 123.581 120.500 0.202 0.000 2.275 229 R HA 0.424 4.763 4.340 -0.000 0.000 0.326 229 R C -1.841 174.518 176.300 0.098 0.000 0.973 229 R CA -0.383 55.692 56.100 -0.041 0.000 0.854 229 R CB 0.284 30.351 30.300 -0.387 0.000 1.156 229 R HN 0.842 nan 8.270 nan 0.000 0.487 230 L N 4.010 125.256 121.223 0.039 0.000 2.315 230 L HA 0.179 4.519 4.340 -0.000 0.000 0.283 230 L C 0.410 177.312 176.870 0.054 0.000 1.089 230 L CA -0.392 54.462 54.840 0.025 0.000 0.833 230 L CB 0.726 42.765 42.059 -0.033 0.000 1.170 230 L HN 0.501 nan 8.230 nan 0.000 0.442 231 D N 3.146 123.602 120.400 0.092 0.000 2.302 231 D HA 0.356 4.996 4.640 -0.000 0.000 0.248 231 D C 0.822 177.137 176.300 0.025 0.000 1.094 231 D CA 0.307 54.381 54.000 0.123 0.000 0.897 231 D CB 1.255 42.213 40.800 0.263 0.000 1.200 231 D HN 0.702 nan 8.370 nan 0.000 0.429 232 A N 3.428 126.256 122.820 0.012 0.000 2.681 232 A HA -0.243 4.077 4.320 -0.000 0.000 0.304 232 A C 1.653 179.192 177.584 -0.075 0.000 1.516 232 A CA 1.260 53.305 52.037 0.014 0.000 0.837 232 A CB -2.271 16.775 19.000 0.077 0.000 0.998 232 A HN 0.761 nan 8.150 nan 0.000 0.466 233 I N -2.284 118.179 120.570 -0.178 0.000 2.657 233 I HA -0.246 3.924 4.170 -0.000 0.000 0.261 233 I C 1.828 177.707 176.117 -0.397 0.000 1.212 233 I CA 2.063 63.223 61.300 -0.234 0.000 1.453 233 I CB -0.465 37.396 38.000 -0.232 0.000 1.092 233 I HN 0.637 nan 8.210 nan 0.000 0.452 234 K N 0.451 120.393 120.400 -0.765 0.000 2.486 234 K HA -0.050 4.270 4.320 -0.000 0.000 0.194 234 K C 1.173 177.343 176.600 -0.717 0.000 1.033 234 K CA 0.890 56.507 56.287 -1.117 0.000 1.004 234 K CB -0.265 31.106 32.500 -1.882 0.000 0.798 234 K HN 0.506 nan 8.250 nan 0.000 0.495 235 H N 0.109 118.995 119.070 -0.307 0.000 2.755 235 H HA 0.301 4.857 4.556 -0.000 0.000 0.273 235 H C -0.050 175.215 175.328 -0.105 0.000 1.055 235 H CA -0.197 55.719 56.048 -0.220 0.000 1.191 235 H CB 0.666 30.266 29.762 -0.270 0.000 1.536 235 H HN 0.114 nan 8.280 nan 0.000 0.529 236 I N 4.644 125.201 120.570 -0.022 0.000 2.339 236 I HA 0.183 4.353 4.170 -0.000 0.000 0.290 236 I C -2.178 173.857 176.117 -0.136 0.000 0.994 236 I CA -2.174 59.056 61.300 -0.117 0.000 1.191 236 I CB 2.025 39.901 38.000 -0.207 0.000 1.343 236 I HN -0.239 nan 8.210 nan 0.000 0.458 237 P HA -0.147 nan 4.420 nan 0.000 0.259 237 P C 0.475 177.601 177.300 -0.292 0.000 1.155 237 P CA 0.376 63.258 63.100 -0.363 0.000 0.759 237 P CB 0.255 31.668 31.700 -0.479 0.000 0.753 238 F N 3.723 123.543 119.950 -0.217 0.000 2.043 238 F HA -0.185 4.341 4.527 -0.000 0.000 0.297 238 F C 2.611 178.288 175.800 -0.205 0.000 1.121 238 F CA 0.786 58.699 58.000 -0.145 0.000 1.199 238 F CB -2.342 36.606 39.000 -0.086 0.000 0.968 238 F HN 0.527 nan 8.300 nan 0.000 0.478 239 W N -0.013 121.380 121.300 0.155 0.000 2.290 239 W HA -0.354 4.306 4.660 -0.000 0.000 0.311 239 W C 2.311 178.880 176.519 0.083 0.000 1.238 239 W CA 1.620 59.020 57.345 0.091 0.000 1.255 239 W CB -2.042 27.481 29.460 0.105 0.000 1.145 239 W HN 0.221 nan 8.180 nan 0.000 0.506 240 Y N 2.834 122.571 120.300 -0.938 0.000 2.220 240 Y HA -0.157 4.393 4.550 -0.000 0.000 0.291 240 Y C 2.914 178.633 175.900 -0.301 0.000 1.129 240 Y CA 3.228 60.852 58.100 -0.795 0.000 1.161 240 Y CB -0.807 36.778 38.460 -1.459 0.000 0.997 240 Y HN -0.129 nan 8.280 nan 0.000 0.522 241 T N -0.773 113.570 114.554 -0.352 0.000 2.635 241 T HA -0.299 4.051 4.350 -0.000 0.000 0.267 241 T C 2.155 176.780 174.700 -0.125 0.000 1.040 241 T CA 1.873 63.854 62.100 -0.199 0.000 1.156 241 T CB -0.830 68.009 68.868 -0.047 0.000 0.863 241 T HN 0.421 nan 8.240 nan 0.000 0.430 242 S N 0.806 116.433 115.700 -0.121 0.000 2.353 242 S HA -0.203 4.267 4.470 -0.000 0.000 0.222 242 S C 1.821 176.388 174.600 -0.055 0.000 1.035 242 S CA 1.715 59.867 58.200 -0.080 0.000 1.025 242 S CB -0.678 62.484 63.200 -0.063 0.000 0.902 242 S HN 0.398 nan 8.310 nan 0.000 0.440 243 D N -0.102 120.258 120.400 -0.067 0.000 2.092 243 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 243 D C 1.416 177.648 176.300 -0.112 0.000 0.994 243 D CA 1.245 55.215 54.000 -0.050 0.000 0.828 243 D CB -0.651 40.159 40.800 0.018 0.000 0.963 243 D HN 0.655 nan 8.370 nan 0.000 0.450 244 W N 1.629 122.623 121.300 -0.510 0.000 2.317 244 W HA -0.270 4.390 4.660 -0.000 0.000 0.318 244 W C 2.298 178.737 176.519 -0.133 0.000 1.227 244 W CA 1.669 58.784 57.345 -0.383 0.000 1.269 244 W CB -0.535 28.607 29.460 -0.530 0.000 1.155 244 W HN -0.221 nan 8.180 nan 0.000 0.484 245 V N 1.382 121.360 119.914 0.105 0.000 2.231 245 V HA -0.383 3.737 4.120 -0.000 0.000 0.248 245 V C 2.509 178.535 176.094 -0.114 0.000 1.054 245 V CA 2.574 64.887 62.300 0.021 0.000 1.015 245 V CB -1.029 30.843 31.823 0.081 0.000 0.638 245 V HN 0.200 nan 8.190 nan 0.000 0.444 246 R N -0.824 119.635 120.500 -0.069 0.000 2.117 246 R HA -0.254 4.086 4.340 -0.000 0.000 0.243 246 R C 2.282 178.524 176.300 -0.097 0.000 1.143 246 R CA 2.070 58.131 56.100 -0.065 0.000 0.968 246 R CB -0.674 29.612 30.300 -0.025 0.000 0.863 246 R HN 0.676 nan 8.270 nan 0.000 0.444 247 H N 0.890 119.831 119.070 -0.215 0.000 2.353 247 H HA -0.080 4.476 4.556 -0.000 0.000 0.300 247 H C 2.070 177.219 175.328 -0.297 0.000 1.090 247 H CA 1.568 57.474 56.048 -0.236 0.000 1.327 247 H CB 0.158 29.759 29.762 -0.267 0.000 1.383 247 H HN 0.059 nan 8.280 nan 0.000 0.508 248 Q N 0.525 120.030 119.800 -0.493 0.000 2.050 248 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 248 Q C 2.486 178.314 176.000 -0.285 0.000 0.980 248 Q CA 1.331 56.849 55.803 -0.475 0.000 0.840 248 Q CB -0.320 28.086 28.738 -0.552 0.000 0.898 248 Q HN 0.490 nan 8.270 nan 0.000 0.424 249 R N 0.622 120.998 120.500 -0.205 0.000 2.193 249 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 249 R C 1.986 178.195 176.300 -0.153 0.000 1.110 249 R CA 0.773 56.788 56.100 -0.142 0.000 0.988 249 R CB -0.053 30.188 30.300 -0.098 0.000 0.871 249 R HN 0.247 nan 8.270 nan 0.000 0.458 250 N N 0.508 119.085 118.700 -0.204 0.000 2.250 250 N HA -0.125 4.615 4.740 -0.000 0.000 0.181 250 N C 1.110 176.495 175.510 -0.207 0.000 1.017 250 N CA 1.067 54.004 53.050 -0.189 0.000 0.866 250 N CB 0.322 38.688 38.487 -0.202 0.000 0.985 250 N HN 0.179 nan 8.380 nan 0.000 0.429 251 E N 0.368 120.393 120.200 -0.292 0.000 2.250 251 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 251 E C 0.304 176.810 176.600 -0.156 0.000 0.986 251 E CA 0.025 56.286 56.400 -0.232 0.000 0.849 251 E CB -0.022 29.500 29.700 -0.295 0.000 0.797 251 E HN 0.266 nan 8.360 nan 0.000 0.482 252 A N 1.755 124.482 122.820 -0.155 0.000 2.309 252 A HA 0.192 4.512 4.320 -0.000 0.000 0.298 252 A C 0.414 177.940 177.584 -0.097 0.000 1.165 252 A CA -0.529 51.437 52.037 -0.119 0.000 0.821 252 A CB 0.592 19.520 19.000 -0.120 0.000 1.102 252 A HN -0.173 nan 8.150 nan 0.000 0.500 253 D N 0.637 120.988 120.400 -0.081 0.000 2.103 253 D HA -0.088 4.552 4.640 -0.000 0.000 0.199 253 D C 1.188 177.451 176.300 -0.063 0.000 0.978 253 D CA 1.142 55.103 54.000 -0.065 0.000 0.829 253 D CB -0.132 40.635 40.800 -0.056 0.000 0.981 253 D HN 0.793 nan 8.370 nan 0.000 0.464 254 Q N 2.111 121.870 119.800 -0.068 0.000 2.454 254 Q HA -0.005 4.335 4.340 -0.000 0.000 0.247 254 Q C -0.144 175.818 176.000 -0.064 0.000 1.028 254 Q CA 0.203 55.969 55.803 -0.062 0.000 0.910 254 Q CB 0.801 29.499 28.738 -0.067 0.000 1.276 254 Q HN 0.097 nan 8.270 nan 0.000 0.489 255 D N 1.234 121.607 120.400 -0.045 0.000 2.368 255 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 255 D C -0.283 175.981 176.300 -0.060 0.000 1.169 255 D CA 0.210 54.188 54.000 -0.037 0.000 0.906 255 D CB 0.638 41.435 40.800 -0.006 0.000 1.187 255 D HN 0.398 nan 8.370 nan 0.000 0.435 256 L N 1.949 123.127 121.223 -0.075 0.000 2.504 256 L HA 0.248 4.587 4.340 -0.000 0.000 0.265 256 L C -0.419 176.365 176.870 -0.143 0.000 0.975 256 L CA -0.864 53.879 54.840 -0.162 0.000 0.864 256 L CB 1.262 43.184 42.059 -0.227 0.000 1.212 256 L HN 0.241 nan 8.230 nan 0.000 0.416 257 F N 4.490 124.262 119.950 -0.298 0.000 2.418 257 F HA 0.565 5.092 4.527 -0.000 0.000 0.341 257 F C -0.294 175.279 175.800 -0.378 0.000 1.120 257 F CA -0.131 57.673 58.000 -0.327 0.000 1.232 257 F CB 1.095 39.807 39.000 -0.479 0.000 1.175 257 F HN 0.066 nan 8.300 nan 0.000 0.569 258 V N 7.129 126.254 119.914 -1.315 0.000 2.524 258 V HA 0.374 4.494 4.120 -0.000 0.000 0.297 258 V C -1.104 174.385 176.094 -1.007 0.000 1.035 258 V CA -0.885 60.921 62.300 -0.823 0.000 0.867 258 V CB 1.355 33.005 31.823 -0.288 0.000 1.004 258 V HN 0.722 nan 8.190 nan 0.000 0.426 259 V N 4.646 124.115 119.914 -0.740 0.000 2.448 259 V HA 0.957 5.077 4.120 -0.000 0.000 0.295 259 V C 0.345 176.197 176.094 -0.404 0.000 1.025 259 V CA 0.245 62.184 62.300 -0.602 0.000 0.859 259 V CB 1.644 33.078 31.823 -0.649 0.000 0.988 259 V HN 0.953 nan 8.190 nan 0.000 0.431 260 G N 3.875 112.499 108.800 -0.293 0.000 2.416 260 G HA2 0.454 4.414 3.960 -0.000 0.000 0.329 260 G HA3 0.454 4.414 3.960 -0.000 0.000 0.329 260 G C -0.565 174.315 174.900 -0.033 0.000 1.173 260 G CA -0.436 44.585 45.100 -0.131 0.000 0.929 260 G HN 0.787 nan 8.290 nan 0.000 0.475 261 E N 1.931 122.191 120.200 0.099 0.000 1.964 261 E HA 0.067 4.416 4.350 -0.000 0.000 0.264 261 E C -1.183 175.471 176.600 0.091 0.000 1.120 261 E CA -0.631 55.928 56.400 0.266 0.000 1.061 261 E CB 0.291 30.154 29.700 0.272 0.000 1.190 261 E HN 0.424 nan 8.360 nan 0.000 0.459 262 Y N 4.599 124.834 120.300 -0.108 0.000 2.650 262 Y HA 0.075 4.624 4.550 -0.000 0.000 0.343 262 Y C -0.595 175.245 175.900 -0.100 0.000 1.078 262 Y CA -0.956 56.979 58.100 -0.275 0.000 1.356 262 Y CB 0.131 38.256 38.460 -0.558 0.000 1.204 262 Y HN 0.471 nan 8.280 nan 0.000 0.508 263 W N 8.761 129.987 121.300 -0.123 0.000 2.581 263 W HA 0.325 4.985 4.660 -0.000 0.000 0.359 263 W C -0.963 175.574 176.519 0.031 0.000 1.167 263 W CA -0.229 57.110 57.345 -0.009 0.000 1.517 263 W CB 0.159 29.579 29.460 -0.068 0.000 1.519 263 W HN 0.513 nan 8.180 nan 0.000 0.431 264 K N 4.412 124.694 120.400 -0.197 0.000 2.587 264 K HA -0.009 4.311 4.320 -0.000 0.000 0.256 264 K C -1.012 175.462 176.600 -0.210 0.000 0.974 264 K CA -0.542 55.676 56.287 -0.115 0.000 0.855 264 K CB 0.887 33.446 32.500 0.098 0.000 1.292 264 K HN 0.101 nan 8.250 nan 0.000 0.444 265 D N 3.472 123.703 120.400 -0.282 0.000 2.597 265 D HA 0.047 4.687 4.640 -0.000 0.000 0.228 265 D C -1.189 175.014 176.300 -0.162 0.000 1.120 265 D CA 0.734 54.570 54.000 -0.273 0.000 1.083 265 D CB 0.204 40.669 40.800 -0.559 0.000 1.116 265 D HN 0.461 nan 8.370 nan 0.000 0.487 266 D N 3.064 123.394 120.400 -0.116 0.000 2.349 266 D HA -0.102 4.537 4.640 -0.000 0.000 0.224 266 D C 0.831 177.085 176.300 -0.077 0.000 1.323 266 D CA -0.454 53.499 54.000 -0.078 0.000 0.917 266 D CB 0.408 41.172 40.800 -0.061 0.000 1.524 266 D HN 0.113 nan 8.370 nan 0.000 0.505 267 V N 3.883 123.763 119.914 -0.056 0.000 2.380 267 V HA -0.150 3.970 4.120 -0.000 0.000 0.251 267 V C 2.116 178.194 176.094 -0.025 0.000 1.063 267 V CA 3.112 65.390 62.300 -0.036 0.000 1.055 267 V CB -0.361 31.461 31.823 -0.001 0.000 0.657 267 V HN 0.604 nan 8.190 nan 0.000 0.455 268 G N -0.763 108.034 108.800 -0.006 0.000 2.459 268 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 268 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 268 G C 1.822 176.717 174.900 -0.009 0.000 1.183 268 G CA 1.169 46.285 45.100 0.027 0.000 0.776 268 G HN 0.831 nan 8.290 nan 0.000 0.552 269 A N 0.248 123.021 122.820 -0.078 0.000 1.948 269 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 269 A C 2.336 179.666 177.584 -0.424 0.000 1.177 269 A CA 1.774 53.690 52.037 -0.201 0.000 0.636 269 A CB -0.347 18.550 19.000 -0.172 0.000 0.815 269 A HN 0.332 nan 8.150 nan 0.000 0.449 270 L N -0.481 120.511 121.223 -0.385 0.000 2.240 270 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 270 L C 2.293 178.966 176.870 -0.329 0.000 1.106 270 L CA 1.586 56.140 54.840 -0.478 0.000 0.793 270 L CB -0.598 41.280 42.059 -0.301 0.000 0.927 270 L HN 0.435 nan 8.230 nan 0.000 0.446 271 E N -0.719 119.378 120.200 -0.173 0.000 2.072 271 E HA -0.222 4.128 4.350 -0.000 0.000 0.190 271 E C 2.117 178.607 176.600 -0.183 0.000 0.982 271 E CA 1.120 57.428 56.400 -0.153 0.000 0.803 271 E CB -0.290 29.460 29.700 0.083 0.000 0.755 271 E HN 0.434 nan 8.360 nan 0.000 0.453 272 F N 0.819 120.634 119.950 -0.224 0.000 2.065 272 F HA -0.350 4.176 4.527 -0.000 0.000 0.298 272 F C 2.422 178.038 175.800 -0.306 0.000 1.112 272 F CA 1.598 59.491 58.000 -0.180 0.000 1.212 272 F CB -0.218 38.728 39.000 -0.090 0.000 0.975 272 F HN 0.012 nan 8.300 nan 0.000 0.476 273 Y N 0.922 121.129 120.300 -0.156 0.000 2.165 273 Y HA -0.243 4.306 4.550 -0.000 0.000 0.286 273 Y C 2.019 177.572 175.900 -0.579 0.000 1.155 273 Y CA 1.883 59.684 58.100 -0.499 0.000 1.164 273 Y CB -0.499 37.420 38.460 -0.901 0.000 0.978 273 Y HN 0.109 nan 8.280 nan 0.000 0.513 274 L N -0.298 120.525 121.223 -0.665 0.000 2.141 274 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 274 L C 2.098 178.116 176.870 -1.421 0.000 1.094 274 L CA 1.224 55.324 54.840 -1.232 0.000 0.763 274 L CB -0.500 40.420 42.059 -1.898 0.000 0.908 274 L HN 0.238 nan 8.230 nan 0.000 0.437 275 D N -0.072 119.805 120.400 -0.872 0.000 2.078 275 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 275 D C 2.045 178.106 176.300 -0.398 0.000 0.990 275 D CA 1.121 54.856 54.000 -0.443 0.000 0.827 275 D CB -0.108 40.532 40.800 -0.268 0.000 0.975 275 D HN 0.253 nan 8.370 nan 0.000 0.451 276 E N 0.178 120.146 120.200 -0.387 0.000 2.219 276 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 276 E C 1.907 178.295 176.600 -0.354 0.000 0.998 276 E CA 0.657 56.889 56.400 -0.279 0.000 0.818 276 E CB -0.139 29.468 29.700 -0.154 0.000 0.741 276 E HN 0.340 nan 8.360 nan 0.000 0.477 277 M N -0.198 119.070 119.600 -0.552 0.000 2.541 277 M HA 0.011 4.491 4.480 -0.000 0.000 0.252 277 M C 0.393 176.501 176.300 -0.320 0.000 1.125 277 M CA 0.234 55.244 55.300 -0.484 0.000 1.091 277 M CB -0.962 31.273 32.600 -0.609 0.000 1.420 277 M HN 0.007 nan 8.290 nan 0.000 0.486 278 N N 0.341 118.859 118.700 -0.303 0.000 2.758 278 N HA -0.210 4.530 4.740 -0.000 0.000 0.248 278 N C -1.262 174.252 175.510 0.006 0.000 1.076 278 N CA 0.643 53.656 53.050 -0.063 0.000 0.696 278 N CB -1.547 36.924 38.487 -0.026 0.000 0.979 278 N HN 0.435 nan 8.380 nan 0.000 0.550 279 W N -1.276 119.845 121.300 -0.298 0.000 7.062 279 W HA -0.253 4.407 4.660 -0.000 0.000 0.409 279 W C 0.715 177.050 176.519 -0.307 0.000 1.561 279 W CA 0.813 57.887 57.345 -0.452 0.000 1.149 279 W CB -2.108 26.956 29.460 -0.660 0.000 2.750 279 W HN 0.469 nan 8.180 nan 0.000 1.626 280 E N -0.429 119.709 120.200 -0.103 0.000 2.444 280 E HA 0.153 4.502 4.350 -0.000 0.000 0.191 280 E C 1.026 177.584 176.600 -0.070 0.000 1.041 280 E CA 0.483 56.855 56.400 -0.046 0.000 0.883 280 E CB -0.069 29.597 29.700 -0.057 0.000 1.024 280 E HN 0.517 nan 8.360 nan 0.000 0.470 281 M N -3.160 116.381 119.600 -0.097 0.000 2.880 281 M HA 0.512 4.992 4.480 -0.000 0.000 0.269 281 M C -1.183 175.074 176.300 -0.071 0.000 1.248 281 M CA -0.927 54.283 55.300 -0.151 0.000 0.821 281 M CB 1.899 34.392 32.600 -0.178 0.000 1.650 281 M HN -0.316 nan 8.290 nan 0.000 0.479 282 S N 0.537 116.147 115.700 -0.150 0.000 2.704 282 S HA 0.895 5.365 4.470 -0.000 0.000 0.305 282 S C -0.991 173.542 174.600 -0.111 0.000 1.107 282 S CA -0.886 57.319 58.200 0.008 0.000 0.993 282 S CB 1.578 64.867 63.200 0.148 0.000 1.110 282 S HN 0.586 nan 8.310 nan 0.000 0.534 283 L N 1.351 122.548 121.223 -0.044 0.000 2.408 283 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 283 L C -1.175 175.697 176.870 0.003 0.000 0.986 283 L CA -0.763 54.027 54.840 -0.083 0.000 0.820 283 L CB 1.242 43.271 42.059 -0.050 0.000 1.303 283 L HN 0.545 nan 8.230 nan 0.000 0.411 284 F N 1.129 121.137 119.950 0.096 0.000 2.629 284 F HA -0.074 4.453 4.527 -0.000 0.000 0.377 284 F C 1.214 177.172 175.800 0.263 0.000 1.101 284 F CA 0.202 58.338 58.000 0.227 0.000 1.301 284 F CB 0.109 39.176 39.000 0.113 0.000 1.062 284 F HN 0.410 nan 8.300 nan 0.000 0.583 285 D N 3.895 124.596 120.400 0.502 0.000 2.508 285 D HA 0.079 4.718 4.640 -0.000 0.000 0.224 285 D C 1.054 177.356 176.300 0.004 0.000 1.171 285 D CA 0.146 54.242 54.000 0.161 0.000 1.006 285 D CB 0.385 41.208 40.800 0.037 0.000 1.073 285 D HN 0.301 nan 8.370 nan 0.000 0.513 286 V N 4.416 124.331 119.914 0.002 0.000 2.407 286 V HA -0.133 3.986 4.120 -0.000 0.000 0.248 286 V C -0.782 175.208 176.094 -0.173 0.000 1.055 286 V CA 1.258 63.422 62.300 -0.227 0.000 1.049 286 V CB -1.014 30.511 31.823 -0.496 0.000 0.662 286 V HN 0.432 nan 8.190 nan 0.000 0.455 287 P HA -0.110 nan 4.420 nan 0.000 0.216 287 P C 1.944 179.143 177.300 -0.167 0.000 1.153 287 P CA 0.921 63.970 63.100 -0.085 0.000 0.844 287 P CB -0.038 31.607 31.700 -0.092 0.000 0.787 288 L N 0.495 121.543 121.223 -0.291 0.000 2.012 288 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 288 L C 2.081 178.528 176.870 -0.704 0.000 1.073 288 L CA 2.046 56.561 54.840 -0.543 0.000 0.748 288 L CB -1.870 39.873 42.059 -0.527 0.000 0.891 288 L HN -0.079 nan 8.230 nan 0.000 0.431 289 N N -1.633 116.718 118.700 -0.581 0.000 2.060 289 N HA -0.316 4.423 4.740 -0.000 0.000 0.195 289 N C 1.814 177.125 175.510 -0.332 0.000 1.028 289 N CA 2.136 54.869 53.050 -0.529 0.000 0.861 289 N CB -0.422 37.708 38.487 -0.595 0.000 1.029 289 N HN 0.474 nan 8.380 nan 0.000 0.428 290 Y N -0.002 120.195 120.300 -0.172 0.000 2.516 290 Y HA 0.094 4.643 4.550 -0.000 0.000 0.291 290 Y C 2.078 177.961 175.900 -0.028 0.000 1.131 290 Y CA 0.382 58.472 58.100 -0.017 0.000 1.281 290 Y CB -0.128 38.312 38.460 -0.033 0.000 1.013 290 Y HN 0.209 nan 8.280 nan 0.000 0.554 291 N N -0.381 118.274 118.700 -0.075 0.000 2.109 291 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 291 N C 1.604 176.998 175.510 -0.194 0.000 1.034 291 N CA 1.289 54.267 53.050 -0.120 0.000 0.846 291 N CB -0.620 37.709 38.487 -0.264 0.000 1.010 291 N HN 0.152 nan 8.380 nan 0.000 0.425 292 F N 0.777 120.603 119.950 -0.206 0.000 2.091 292 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 292 F C 2.358 177.868 175.800 -0.484 0.000 1.103 292 F CA 0.672 58.455 58.000 -0.361 0.000 1.228 292 F CB -1.352 37.517 39.000 -0.218 0.000 0.984 292 F HN 0.128 nan 8.300 nan 0.000 0.477 293 Y N 1.080 121.283 120.300 -0.160 0.000 2.070 293 Y HA -0.247 4.303 4.550 -0.000 0.000 0.280 293 Y C 2.661 178.460 175.900 -0.169 0.000 1.148 293 Y CA 1.787 59.794 58.100 -0.156 0.000 1.125 293 Y CB -0.692 37.727 38.460 -0.068 0.000 0.975 293 Y HN -0.091 nan 8.280 nan 0.000 0.492 294 R N -0.145 120.240 120.500 -0.192 0.000 2.103 294 R HA -0.239 4.101 4.340 -0.000 0.000 0.242 294 R C 2.469 178.528 176.300 -0.402 0.000 1.142 294 R CA 1.434 57.405 56.100 -0.216 0.000 0.960 294 R CB -0.698 29.643 30.300 0.069 0.000 0.858 294 R HN 0.497 nan 8.270 nan 0.000 0.439 295 A N -0.072 122.260 122.820 -0.812 0.000 1.873 295 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 295 A C 2.142 179.250 177.584 -0.794 0.000 1.186 295 A CA 1.773 53.062 52.037 -1.246 0.000 0.616 295 A CB -0.688 17.170 19.000 -1.903 0.000 0.823 295 A HN 0.335 nan 8.150 nan 0.000 0.442 296 S N -1.088 114.061 115.700 -0.919 0.000 2.400 296 S HA -0.194 4.275 4.470 -0.000 0.000 0.232 296 S C 2.127 176.726 174.600 -0.002 0.000 1.025 296 S CA 1.648 59.565 58.200 -0.472 0.000 0.993 296 S CB -0.339 62.598 63.200 -0.439 0.000 0.808 296 S HN 0.577 nan 8.310 nan 0.000 0.478 297 Q N 0.476 120.128 119.800 -0.247 0.000 2.096 297 Q HA -0.014 4.326 4.340 -0.000 0.000 0.197 297 Q C 2.229 178.222 176.000 -0.013 0.000 0.964 297 Q CA 1.135 56.840 55.803 -0.163 0.000 0.838 297 Q CB -0.530 27.965 28.738 -0.404 0.000 0.906 297 Q HN 0.734 nan 8.270 nan 0.000 0.444 298 Q N -0.298 119.504 119.800 0.003 0.000 2.137 298 Q HA 0.061 4.400 4.340 -0.000 0.000 0.198 298 Q C 0.342 176.432 176.000 0.151 0.000 0.960 298 Q CA 0.984 56.844 55.803 0.096 0.000 0.847 298 Q CB 0.314 29.156 28.738 0.172 0.000 0.915 298 Q HN 0.344 nan 8.270 nan 0.000 0.448 299 G N -1.761 107.193 108.800 0.256 0.000 2.582 299 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.222 299 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.222 299 G C 0.515 175.629 174.900 0.358 0.000 1.311 299 G CA -0.250 44.999 45.100 0.248 0.000 0.915 299 G HN 0.390 nan 8.290 nan 0.000 0.528 300 G N -0.055 108.896 108.800 0.253 0.000 2.475 300 G HA2 0.054 4.014 3.960 -0.000 0.000 0.220 300 G HA3 0.054 4.014 3.960 -0.000 0.000 0.220 300 G C 2.357 177.457 174.900 0.333 0.000 1.125 300 G CA 2.831 48.123 45.100 0.321 0.000 0.755 300 G HN 2.177 nan 8.290 nan 0.000 0.565 301 S N -0.668 115.181 115.700 0.249 0.000 2.420 301 S HA -0.144 4.326 4.470 -0.000 0.000 0.237 301 S C 1.206 175.953 174.600 0.245 0.000 1.023 301 S CA 0.364 58.688 58.200 0.206 0.000 0.991 301 S CB -0.589 62.688 63.200 0.129 0.000 0.792 301 S HN 0.428 nan 8.310 nan 0.000 0.488 302 Y N 3.577 123.981 120.300 0.174 0.000 2.805 302 Y HA 0.106 4.656 4.550 -0.000 0.000 0.331 302 Y C 0.295 176.328 175.900 0.222 0.000 1.241 302 Y CA -0.192 58.006 58.100 0.163 0.000 1.546 302 Y CB 0.208 38.762 38.460 0.157 0.000 1.248 302 Y HN 0.127 nan 8.280 nan 0.000 0.559 303 D N 7.516 127.808 120.400 -0.181 0.000 2.383 303 D HA -0.017 4.623 4.640 -0.000 0.000 0.245 303 D C 0.892 177.241 176.300 0.082 0.000 1.263 303 D CA -0.081 53.930 54.000 0.018 0.000 0.936 303 D CB 0.576 41.338 40.800 -0.063 0.000 1.053 303 D HN 0.697 nan 8.370 nan 0.000 0.507 304 M N 3.056 122.890 119.600 0.389 0.000 2.521 304 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 304 M C 1.635 178.204 176.300 0.447 0.000 1.068 304 M CA 0.962 56.564 55.300 0.503 0.000 1.060 304 M CB -0.500 32.386 32.600 0.477 0.000 1.398 304 M HN 0.382 nan 8.290 nan 0.000 0.473 305 R N -0.176 120.522 120.500 0.331 0.000 2.189 305 R HA -0.067 4.273 4.340 -0.000 0.000 0.218 305 R C 0.747 177.146 176.300 0.164 0.000 1.074 305 R CA 0.905 57.196 56.100 0.317 0.000 0.991 305 R CB -0.257 30.194 30.300 0.252 0.000 0.883 305 R HN 0.564 nan 8.270 nan 0.000 0.457 306 N N 0.040 118.793 118.700 0.089 0.000 2.273 306 N HA 0.042 4.781 4.740 -0.000 0.000 0.231 306 N C 0.754 176.307 175.510 0.071 0.000 1.134 306 N CA -0.282 52.769 53.050 0.001 0.000 0.856 306 N CB 0.453 38.891 38.487 -0.082 0.000 1.068 306 N HN 0.029 nan 8.380 nan 0.000 0.510 307 I N 0.652 121.349 120.570 0.213 0.000 2.361 307 I HA -0.138 4.032 4.170 -0.000 0.000 0.251 307 I C 1.257 177.397 176.117 0.038 0.000 1.133 307 I CA 1.477 62.955 61.300 0.296 0.000 1.413 307 I CB 0.197 38.488 38.000 0.485 0.000 1.073 307 I HN 0.244 nan 8.210 nan 0.000 0.424 308 L N -0.216 120.938 121.223 -0.114 0.000 2.585 308 L HA 0.140 4.480 4.340 -0.000 0.000 0.226 308 L C 1.139 177.903 176.870 -0.177 0.000 1.113 308 L CA -0.180 54.534 54.840 -0.209 0.000 0.876 308 L CB -0.360 41.482 42.059 -0.361 0.000 1.072 308 L HN 0.072 nan 8.230 nan 0.000 0.468 309 R N 0.714 121.133 120.500 -0.135 0.000 2.484 309 R HA 0.197 4.537 4.340 -0.000 0.000 0.293 309 R C 1.139 177.391 176.300 -0.080 0.000 1.023 309 R CA 1.165 57.203 56.100 -0.102 0.000 1.037 309 R CB 0.270 30.525 30.300 -0.074 0.000 0.951 309 R HN 0.281 nan 8.270 nan 0.000 0.418 310 G N 2.378 111.133 108.800 -0.074 0.000 2.299 310 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.237 310 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.237 310 G C 0.142 175.000 174.900 -0.069 0.000 1.027 310 G CA 0.244 45.308 45.100 -0.059 0.000 0.619 310 G HN 0.900 nan 8.290 nan 0.000 0.513 311 S N 0.190 115.829 115.700 -0.102 0.000 2.580 311 S HA 0.442 4.911 4.470 -0.000 0.000 0.261 311 S C 1.459 176.026 174.600 -0.054 0.000 1.366 311 S CA 0.604 58.735 58.200 -0.115 0.000 0.996 311 S CB 1.233 64.334 63.200 -0.165 0.000 0.902 311 S HN 1.342 nan 8.310 nan 0.000 0.566 312 L N 1.549 122.756 121.223 -0.025 0.000 2.145 312 L HA 0.167 4.507 4.340 -0.000 0.000 0.201 312 L C 2.473 179.385 176.870 0.070 0.000 1.075 312 L CA 1.431 56.307 54.840 0.059 0.000 0.773 312 L CB -0.889 41.219 42.059 0.082 0.000 0.936 312 L HN 0.693 nan 8.230 nan 0.000 0.451 313 V N 0.266 120.196 119.914 0.027 0.000 2.453 313 V HA -0.339 3.780 4.120 -0.000 0.000 0.252 313 V C 2.523 178.592 176.094 -0.043 0.000 1.068 313 V CA 2.377 64.684 62.300 0.012 0.000 1.070 313 V CB -0.468 31.348 31.823 -0.013 0.000 0.664 313 V HN 0.780 nan 8.190 nan 0.000 0.461 314 E N -0.304 119.850 120.200 -0.077 0.000 2.077 314 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 314 E C 1.962 178.484 176.600 -0.129 0.000 0.989 314 E CA 1.611 57.939 56.400 -0.119 0.000 0.800 314 E CB -0.260 29.361 29.700 -0.132 0.000 0.746 314 E HN 0.695 nan 8.360 nan 0.000 0.452 315 A N -0.584 122.165 122.820 -0.119 0.000 2.085 315 A HA 0.065 4.384 4.320 -0.000 0.000 0.208 315 A C 0.623 177.866 177.584 -0.568 0.000 1.191 315 A CA 0.208 52.074 52.037 -0.285 0.000 0.799 315 A CB 0.290 19.168 19.000 -0.203 0.000 0.877 315 A HN 0.309 nan 8.150 nan 0.000 0.473 316 H N -0.671 118.424 119.070 0.042 0.000 2.712 316 H HA 0.156 4.712 4.556 -0.000 0.000 0.226 316 H C -2.172 173.187 175.328 0.052 0.000 1.422 316 H CA -0.998 55.094 56.048 0.074 0.000 1.270 316 H CB 0.462 30.386 29.762 0.270 0.000 1.891 316 H HN 0.322 nan 8.280 nan 0.000 0.518 317 P HA -0.192 nan 4.420 nan 0.000 0.221 317 P C 1.387 178.680 177.300 -0.012 0.000 1.141 317 P CA 0.966 64.070 63.100 0.006 0.000 0.794 317 P CB 0.421 32.091 31.700 -0.050 0.000 0.764 318 M N -1.295 118.257 119.600 -0.081 0.000 2.506 318 M HA 0.011 4.491 4.480 -0.000 0.000 0.260 318 M C 1.098 177.171 176.300 -0.380 0.000 1.104 318 M CA 1.183 56.323 55.300 -0.266 0.000 1.112 318 M CB -0.444 31.902 32.600 -0.424 0.000 1.401 318 M HN -0.050 nan 8.290 nan 0.000 0.473 319 H N -1.459 117.738 119.070 0.212 0.000 2.575 319 H HA 0.600 5.156 4.556 -0.000 0.000 0.256 319 H C -0.676 174.767 175.328 0.191 0.000 1.162 319 H CA -0.077 56.108 56.048 0.229 0.000 0.969 319 H CB -0.062 29.896 29.762 0.327 0.000 1.796 319 H HN 0.164 nan 8.280 nan 0.000 0.607 320 A N 1.174 124.137 122.820 0.238 0.000 2.331 320 A HA 0.559 4.879 4.320 -0.000 0.000 0.320 320 A C -0.377 177.343 177.584 0.227 0.000 1.138 320 A CA -0.544 51.616 52.037 0.205 0.000 0.790 320 A CB 1.567 20.665 19.000 0.164 0.000 1.206 320 A HN 0.085 nan 8.150 nan 0.000 0.470 321 V N 3.276 123.326 119.914 0.225 0.000 2.334 321 V HA 0.417 4.537 4.120 -0.000 0.000 0.281 321 V C 0.510 176.866 176.094 0.438 0.000 1.016 321 V CA -0.177 62.283 62.300 0.266 0.000 0.832 321 V CB 1.378 33.235 31.823 0.057 0.000 0.999 321 V HN 1.048 nan 8.190 nan 0.000 0.439 322 T N 3.228 117.997 114.554 0.358 0.000 2.909 322 T HA 0.808 5.157 4.350 -0.000 0.000 0.289 322 T C -0.614 174.348 174.700 0.436 0.000 1.005 322 T CA -0.375 61.911 62.100 0.311 0.000 1.084 322 T CB 1.205 70.177 68.868 0.174 0.000 0.975 322 T HN 0.657 nan 8.240 nan 0.000 0.509 323 F N -0.870 119.197 119.950 0.196 0.000 2.773 323 F HA 0.636 5.163 4.527 -0.000 0.000 0.314 323 F C -0.321 175.507 175.800 0.048 0.000 1.160 323 F CA -1.473 56.599 58.000 0.121 0.000 0.920 323 F CB 0.480 39.580 39.000 0.167 0.000 1.323 323 F HN 0.247 nan 8.300 nan 0.000 0.457 324 V N -0.848 118.997 119.914 -0.115 0.000 3.212 324 V HA 0.328 4.448 4.120 -0.000 0.000 0.244 324 V C -0.305 175.750 176.094 -0.064 0.000 1.151 324 V CA 0.850 62.977 62.300 -0.288 0.000 1.119 324 V CB -0.104 31.270 31.823 -0.748 0.000 0.838 324 V HN 0.812 nan 8.190 nan 0.000 0.470 325 D N -0.729 119.754 120.400 0.139 0.000 2.713 325 D HA 0.407 5.047 4.640 -0.000 0.000 0.306 325 D C -1.510 174.505 176.300 -0.475 0.000 1.299 325 D CA -0.176 53.826 54.000 0.003 0.000 0.823 325 D CB 2.368 43.147 40.800 -0.036 0.000 1.353 325 D HN 0.402 nan 8.370 nan 0.000 0.447 326 N N -1.984 116.249 118.700 -0.779 0.000 3.378 326 N HA 0.062 4.802 4.740 -0.000 0.000 0.294 326 N C 0.695 175.864 175.510 -0.569 0.000 1.544 326 N CA -0.471 51.868 53.050 -1.185 0.000 0.872 326 N CB 0.086 38.255 38.487 -0.530 0.000 1.670 326 N HN 0.380 nan 8.380 nan 0.000 0.551 327 H N -1.479 117.460 119.070 -0.220 0.000 2.489 327 H HA 0.049 4.604 4.556 -0.000 0.000 0.293 327 H C -0.296 174.970 175.328 -0.103 0.000 1.066 327 H CA 1.440 57.568 56.048 0.133 0.000 1.305 327 H CB -0.206 29.826 29.762 0.450 0.000 1.386 327 H HN 0.559 nan 8.280 nan 0.000 0.551 328 D N 0.873 120.802 120.400 -0.785 0.000 2.271 328 D HA -0.052 4.588 4.640 -0.000 0.000 0.206 328 D C 1.773 177.760 176.300 -0.520 0.000 0.967 328 D CA 1.785 55.319 54.000 -0.776 0.000 0.867 328 D CB 0.193 40.360 40.800 -1.056 0.000 0.960 328 D HN 0.632 nan 8.370 nan 0.000 0.509 329 T N -1.220 113.124 114.554 -0.349 0.000 3.060 329 T HA -0.001 4.349 4.350 -0.000 0.000 0.249 329 T C 1.074 175.814 174.700 0.067 0.000 1.079 329 T CA -0.377 61.646 62.100 -0.129 0.000 1.013 329 T CB 0.019 68.877 68.868 -0.016 0.000 0.975 329 T HN 0.147 nan 8.240 nan 0.000 0.518 330 Q N 1.656 121.479 119.800 0.037 0.000 2.421 330 Q HA 0.289 4.629 4.340 -0.000 0.000 0.255 330 Q C -2.720 173.181 176.000 -0.165 0.000 1.013 330 Q CA -2.086 53.703 55.803 -0.023 0.000 0.895 330 Q CB -0.439 28.319 28.738 0.034 0.000 1.271 330 Q HN 0.066 nan 8.270 nan 0.000 0.460 331 P HA -0.133 nan 4.420 nan 0.000 0.261 331 P C 0.609 177.834 177.300 -0.125 0.000 1.158 331 P CA 2.009 64.981 63.100 -0.213 0.000 0.758 331 P CB 0.142 31.651 31.700 -0.318 0.000 0.763 332 G N 1.369 110.111 108.800 -0.097 0.000 2.267 332 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 332 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 332 G C 0.349 175.142 174.900 -0.180 0.000 0.998 332 G CA -0.095 44.950 45.100 -0.092 0.000 0.620 332 G HN 0.504 nan 8.290 nan 0.000 0.529 333 E N 0.682 120.717 120.200 -0.275 0.000 2.351 333 E HA 0.473 4.823 4.350 -0.000 0.000 0.255 333 E C 1.970 178.347 176.600 -0.372 0.000 1.188 333 E CA 0.304 56.424 56.400 -0.467 0.000 0.940 333 E CB 0.742 30.061 29.700 -0.635 0.000 1.094 333 E HN 0.439 nan 8.360 nan 0.000 0.474 334 S N 0.585 116.017 115.700 -0.447 0.000 2.359 334 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 334 S C 1.438 175.865 174.600 -0.289 0.000 1.039 334 S CA 1.224 59.222 58.200 -0.336 0.000 1.042 334 S CB -0.303 62.677 63.200 -0.367 0.000 0.915 334 S HN 0.467 nan 8.310 nan 0.000 0.439 335 L N 1.834 122.824 121.223 -0.387 0.000 2.978 335 L HA 0.385 4.725 4.340 -0.000 0.000 0.239 335 L C 0.535 177.282 176.870 -0.205 0.000 1.293 335 L CA -0.287 54.366 54.840 -0.311 0.000 1.085 335 L CB -0.429 41.240 42.059 -0.651 0.000 1.432 335 L HN 0.392 nan 8.230 nan 0.000 0.512 336 E N 2.076 122.173 120.200 -0.172 0.000 2.558 336 E HA -0.038 4.312 4.350 -0.000 0.000 0.255 336 E C -0.015 176.481 176.600 -0.173 0.000 0.968 336 E CA 0.356 56.685 56.400 -0.118 0.000 0.939 336 E CB 0.472 30.131 29.700 -0.068 0.000 0.921 336 E HN 0.399 nan 8.360 nan 0.000 0.477 337 S N 4.787 120.341 115.700 -0.243 0.000 2.584 337 S HA 0.034 4.504 4.470 -0.000 0.000 0.189 337 S C -0.713 173.756 174.600 -0.219 0.000 0.869 337 S CA -0.873 56.814 58.200 -0.854 0.000 1.097 337 S CB -0.467 62.170 63.200 -0.939 0.000 1.677 337 S HN 0.603 nan 8.310 nan 0.000 0.460 338 W N 2.788 124.081 121.300 -0.012 0.000 2.381 338 W HA 0.398 5.058 4.660 -0.000 0.000 0.321 338 W C -0.894 175.788 176.519 0.272 0.000 1.407 338 W CA -0.190 57.243 57.345 0.148 0.000 1.274 338 W CB 0.899 30.442 29.460 0.139 0.000 1.310 338 W HN 0.215 nan 8.180 nan 0.000 0.551 339 V N 7.986 127.638 119.914 -0.437 0.000 2.427 339 V HA 0.130 4.250 4.120 -0.000 0.000 0.268 339 V C 1.071 176.829 176.094 -0.560 0.000 1.046 339 V CA -0.484 61.577 62.300 -0.399 0.000 0.970 339 V CB -0.121 31.471 31.823 -0.385 0.000 1.001 339 V HN 0.624 nan 8.190 nan 0.000 0.476 340 A N 3.897 126.619 122.820 -0.163 0.000 2.507 340 A HA 0.072 4.391 4.320 -0.000 0.000 0.235 340 A C 1.295 178.886 177.584 0.011 0.000 1.070 340 A CA -0.090 51.995 52.037 0.080 0.000 0.768 340 A CB -0.034 19.178 19.000 0.355 0.000 1.011 340 A HN 0.873 nan 8.150 nan 0.000 0.502 341 D N 0.497 121.008 120.400 0.185 0.000 2.158 341 D HA -0.191 4.448 4.640 -0.000 0.000 0.197 341 D C 1.846 178.229 176.300 0.138 0.000 0.995 341 D CA 2.045 56.136 54.000 0.152 0.000 0.846 341 D CB -0.234 40.688 40.800 0.204 0.000 0.941 341 D HN 0.860 nan 8.370 nan 0.000 0.456 342 W N 0.126 121.470 121.300 0.073 0.000 2.358 342 W HA -0.127 4.533 4.660 -0.000 0.000 0.303 342 W C 1.794 178.344 176.519 0.052 0.000 1.208 342 W CA 0.260 57.640 57.345 0.060 0.000 1.274 342 W CB -1.446 28.062 29.460 0.079 0.000 1.138 342 W HN -0.026 nan 8.180 nan 0.000 0.515 343 F N 2.417 121.667 119.950 -1.165 0.000 2.473 343 F HA 0.089 4.615 4.527 -0.000 0.000 0.294 343 F C 2.713 178.151 175.800 -0.602 0.000 1.103 343 F CA 1.658 58.963 58.000 -1.159 0.000 1.442 343 F CB -0.357 37.703 39.000 -1.567 0.000 1.097 343 F HN -0.222 nan 8.300 nan 0.000 0.547 344 K N 0.754 120.985 120.400 -0.282 0.000 2.173 344 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 344 K C -1.076 175.435 176.600 -0.148 0.000 1.046 344 K CA 1.899 58.066 56.287 -0.200 0.000 0.929 344 K CB -1.044 31.393 32.500 -0.106 0.000 0.720 344 K HN 0.176 nan 8.250 nan 0.000 0.453 345 P HA -0.113 nan 4.420 nan 0.000 0.217 345 P C 0.890 178.056 177.300 -0.223 0.000 1.151 345 P CA 0.911 63.930 63.100 -0.135 0.000 0.828 345 P CB 0.111 31.733 31.700 -0.131 0.000 0.788 346 L N -0.360 120.584 121.223 -0.466 0.000 2.017 346 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 346 L C 2.533 179.148 176.870 -0.425 0.000 1.073 346 L CA 2.093 56.617 54.840 -0.526 0.000 0.745 346 L CB -1.957 39.512 42.059 -0.983 0.000 0.894 346 L HN -0.101 nan 8.230 nan 0.000 0.432 347 A N -1.381 121.047 122.820 -0.654 0.000 1.883 347 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 347 A C 2.268 179.473 177.584 -0.631 0.000 1.186 347 A CA 1.823 53.258 52.037 -1.004 0.000 0.624 347 A CB -1.087 16.975 19.000 -1.564 0.000 0.822 347 A HN 0.405 nan 8.150 nan 0.000 0.444 348 Y N -0.136 119.959 120.300 -0.341 0.000 2.224 348 Y HA -0.119 4.431 4.550 -0.000 0.000 0.289 348 Y C 2.913 178.796 175.900 -0.029 0.000 1.146 348 Y CA 0.993 59.009 58.100 -0.141 0.000 1.182 348 Y CB -0.520 37.878 38.460 -0.103 0.000 0.983 348 Y HN 0.344 nan 8.280 nan 0.000 0.524 349 A N -0.840 122.047 122.820 0.113 0.000 1.933 349 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 349 A C 2.280 180.101 177.584 0.396 0.000 1.175 349 A CA 2.171 54.318 52.037 0.182 0.000 0.628 349 A CB -1.161 17.875 19.000 0.060 0.000 0.814 349 A HN 0.414 nan 8.150 nan 0.000 0.444 350 T N 0.802 115.579 114.554 0.373 0.000 2.746 350 T HA -0.135 4.214 4.350 -0.000 0.000 0.267 350 T C 1.730 176.519 174.700 0.149 0.000 1.039 350 T CA 1.681 64.020 62.100 0.399 0.000 1.142 350 T CB -0.521 68.606 68.868 0.432 0.000 0.866 350 T HN 0.748 nan 8.240 nan 0.000 0.444 351 I N -1.928 118.735 120.570 0.154 0.000 3.728 351 I HA 0.295 4.464 4.170 -0.000 0.000 0.307 351 I C 1.579 177.773 176.117 0.129 0.000 1.276 351 I CA 0.714 62.089 61.300 0.124 0.000 1.285 351 I CB -0.195 37.886 38.000 0.136 0.000 1.038 351 I HN 0.125 nan 8.210 nan 0.000 0.445 352 L N 0.930 122.251 121.223 0.163 0.000 2.515 352 L HA 0.121 4.461 4.340 -0.000 0.000 0.223 352 L C 2.213 179.166 176.870 0.138 0.000 1.079 352 L CA 1.005 55.940 54.840 0.158 0.000 0.857 352 L CB 0.159 42.329 42.059 0.186 0.000 1.050 352 L HN 0.385 nan 8.230 nan 0.000 0.476 353 T N -3.575 111.107 114.554 0.212 0.000 3.054 353 T HA 0.220 4.570 4.350 -0.000 0.000 0.255 353 T C 0.926 175.740 174.700 0.190 0.000 1.035 353 T CA -0.363 61.895 62.100 0.264 0.000 0.941 353 T CB 0.213 69.353 68.868 0.454 0.000 1.026 353 T HN 0.020 nan 8.240 nan 0.000 0.533 354 R N 1.454 121.930 120.500 -0.040 0.000 2.532 354 R HA 0.384 4.724 4.340 -0.000 0.000 0.272 354 R C 1.535 177.749 176.300 -0.143 0.000 1.032 354 R CA -0.259 55.682 56.100 -0.266 0.000 1.089 354 R CB 0.949 30.939 30.300 -0.517 0.000 1.098 354 R HN 0.505 nan 8.270 nan 0.000 0.526 355 E N 0.603 120.716 120.200 -0.145 0.000 2.158 355 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 355 E C 0.581 177.121 176.600 -0.099 0.000 0.982 355 E CA 0.453 56.784 56.400 -0.114 0.000 0.823 355 E CB 0.051 29.691 29.700 -0.099 0.000 0.766 355 E HN 0.595 nan 8.360 nan 0.000 0.468 356 G N 0.526 109.264 108.800 -0.103 0.000 2.390 356 G HA2 0.473 4.432 3.960 -0.000 0.000 0.270 356 G HA3 0.473 4.432 3.960 -0.000 0.000 0.270 356 G C 0.149 175.029 174.900 -0.033 0.000 1.211 356 G CA 0.073 45.129 45.100 -0.074 0.000 0.842 356 G HN 0.524 nan 8.290 nan 0.000 0.519 357 G N 0.161 108.965 108.800 0.007 0.000 2.650 357 G HA2 0.114 4.074 3.960 -0.000 0.000 0.686 357 G HA3 0.114 4.074 3.960 -0.000 0.000 0.686 357 G C -1.108 173.884 174.900 0.153 0.000 1.205 357 G CA -0.730 44.421 45.100 0.085 0.000 0.781 357 G HN 1.158 nan 8.290 nan 0.000 0.648 358 Y N 3.683 124.017 120.300 0.057 0.000 2.491 358 Y HA 0.581 5.131 4.550 -0.000 0.000 0.334 358 Y C -1.920 174.055 175.900 0.126 0.000 0.969 358 Y CA -2.986 55.142 58.100 0.048 0.000 1.241 358 Y CB 1.413 39.879 38.460 0.010 0.000 1.105 358 Y HN 0.537 nan 8.280 nan 0.000 0.503 359 P HA 0.132 nan 4.420 nan 0.000 0.275 359 P C -1.010 176.420 177.300 0.217 0.000 1.228 359 P CA -0.229 63.027 63.100 0.260 0.000 0.786 359 P CB 1.506 33.344 31.700 0.229 0.000 0.927 360 N N 1.930 120.810 118.700 0.299 0.000 2.399 360 N HA 0.262 5.002 4.740 -0.000 0.000 0.284 360 N C -1.312 174.442 175.510 0.407 0.000 1.025 360 N CA -0.705 52.543 53.050 0.331 0.000 0.885 360 N CB 1.132 39.893 38.487 0.457 0.000 1.339 360 N HN -0.030 nan 8.380 nan 0.000 0.487 361 V N 3.859 123.974 119.914 0.335 0.000 2.530 361 V HA 0.276 4.396 4.120 -0.000 0.000 0.282 361 V C -0.057 176.272 176.094 0.392 0.000 1.048 361 V CA -0.450 62.068 62.300 0.363 0.000 0.997 361 V CB 0.151 32.026 31.823 0.087 0.000 0.987 361 V HN 0.578 nan 8.190 nan 0.000 0.477 362 F N 5.264 125.391 119.950 0.295 0.000 2.411 362 F HA 0.294 4.821 4.527 -0.000 0.000 0.350 362 F C 0.687 176.598 175.800 0.185 0.000 1.114 362 F CA -1.438 56.695 58.000 0.222 0.000 1.135 362 F CB 0.619 39.802 39.000 0.305 0.000 1.120 362 F HN 0.601 nan 8.300 nan 0.000 0.495 363 Y N 5.180 125.321 120.300 -0.266 0.000 2.151 363 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 363 Y C 2.137 177.688 175.900 -0.582 0.000 1.166 363 Y CA 2.211 60.097 58.100 -0.356 0.000 1.163 363 Y CB -0.566 37.709 38.460 -0.308 0.000 0.974 363 Y HN 0.701 nan 8.280 nan 0.000 0.511 364 G N -0.240 107.803 108.800 -1.262 0.000 2.440 364 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.218 364 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.218 364 G C 1.373 176.117 174.900 -0.260 0.000 1.154 364 G CA 1.283 45.884 45.100 -0.833 0.000 0.767 364 G HN 0.415 nan 8.290 nan 0.000 0.552 365 D N -0.745 119.560 120.400 -0.158 0.000 2.103 365 D HA -0.065 4.575 4.640 -0.000 0.000 0.199 365 D C 1.997 178.248 176.300 -0.082 0.000 0.978 365 D CA 0.578 54.631 54.000 0.089 0.000 0.829 365 D CB -0.361 40.575 40.800 0.226 0.000 0.981 365 D HN 0.299 nan 8.370 nan 0.000 0.464 366 Y N 0.514 120.607 120.300 -0.344 0.000 2.053 366 Y HA -0.293 4.256 4.550 -0.000 0.000 0.277 366 Y C 1.678 177.238 175.900 -0.567 0.000 1.159 366 Y CA 1.719 59.498 58.100 -0.536 0.000 1.125 366 Y CB -0.369 37.642 38.460 -0.748 0.000 0.969 366 Y HN -0.008 nan 8.280 nan 0.000 0.492 367 Y N -0.126 119.994 120.300 -0.300 0.000 2.457 367 Y HA 0.391 4.941 4.550 -0.000 0.000 0.263 367 Y C 1.118 176.897 175.900 -0.202 0.000 1.164 367 Y CA 0.028 57.925 58.100 -0.339 0.000 1.274 367 Y CB 0.039 38.187 38.460 -0.521 0.000 1.097 367 Y HN 0.206 nan 8.280 nan 0.000 0.523 368 G N 0.963 109.744 108.800 -0.031 0.000 2.733 368 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 368 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 368 G C -0.787 174.146 174.900 0.055 0.000 1.373 368 G CA -0.706 44.411 45.100 0.028 0.000 0.838 368 G HN 0.158 nan 8.290 nan 0.000 0.588 369 I N 2.837 123.445 120.570 0.063 0.000 2.503 369 I HA 0.203 4.373 4.170 -0.000 0.000 0.277 369 I C -1.389 174.740 176.117 0.019 0.000 1.078 369 I CA -2.094 59.239 61.300 0.054 0.000 1.184 369 I CB 1.888 39.905 38.000 0.028 0.000 1.353 369 I HN 0.281 nan 8.210 nan 0.000 0.490 370 P HA -0.218 nan 4.420 nan 0.000 0.216 370 P C 1.409 178.683 177.300 -0.044 0.000 1.157 370 P CA 1.478 64.574 63.100 -0.006 0.000 0.880 370 P CB 0.176 31.876 31.700 -0.000 0.000 0.791 371 N N -0.448 118.208 118.700 -0.074 0.000 2.096 371 N HA -0.199 4.541 4.740 -0.000 0.000 0.195 371 N C 0.449 175.859 175.510 -0.167 0.000 1.017 371 N CA 1.983 54.924 53.050 -0.181 0.000 0.870 371 N CB -0.596 37.636 38.487 -0.426 0.000 1.024 371 N HN 0.124 nan 8.380 nan 0.000 0.434 372 D N -1.097 119.224 120.400 -0.133 0.000 2.424 372 D HA 0.235 4.875 4.640 -0.000 0.000 0.220 372 D C -0.625 175.638 176.300 -0.061 0.000 1.150 372 D CA -0.094 53.837 54.000 -0.115 0.000 0.831 372 D CB -0.267 40.436 40.800 -0.162 0.000 0.981 372 D HN 0.296 nan 8.370 nan 0.000 0.500 373 N N 0.400 119.077 118.700 -0.038 0.000 2.735 373 N HA -0.179 4.560 4.740 -0.000 0.000 0.248 373 N C -0.895 174.630 175.510 0.025 0.000 1.083 373 N CA 0.030 53.077 53.050 -0.005 0.000 0.703 373 N CB -0.733 37.752 38.487 -0.003 0.000 1.005 373 N HN 0.347 nan 8.380 nan 0.000 0.550 374 I N 1.225 121.814 120.570 0.032 0.000 2.312 374 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 374 I C 0.872 177.042 176.117 0.089 0.000 1.008 374 I CA -0.554 60.804 61.300 0.097 0.000 1.226 374 I CB 1.206 39.276 38.000 0.117 0.000 1.371 374 I HN 0.130 nan 8.210 nan 0.000 0.468 375 S N 5.284 121.037 115.700 0.088 0.000 2.579 375 S HA 0.490 4.959 4.470 -0.000 0.000 0.275 375 S C 0.277 174.897 174.600 0.033 0.000 1.345 375 S CA -0.964 57.265 58.200 0.049 0.000 1.031 375 S CB 1.238 64.461 63.200 0.038 0.000 0.892 375 S HN 0.681 nan 8.310 nan 0.000 0.529 376 A N 1.988 124.799 122.820 -0.015 0.000 2.440 376 A HA 0.424 4.744 4.320 -0.000 0.000 0.251 376 A C 0.755 178.266 177.584 -0.122 0.000 1.089 376 A CA -0.644 51.346 52.037 -0.078 0.000 0.779 376 A CB 0.133 19.075 19.000 -0.097 0.000 1.022 376 A HN 0.753 nan 8.150 nan 0.000 0.492 377 K N 2.367 122.659 120.400 -0.180 0.000 2.498 377 K HA 0.095 4.415 4.320 -0.000 0.000 0.207 377 K C 1.138 177.547 176.600 -0.318 0.000 1.033 377 K CA -0.103 56.069 56.287 -0.191 0.000 1.138 377 K CB 0.315 32.729 32.500 -0.144 0.000 0.860 377 K HN 0.851 nan 8.250 nan 0.000 0.490 378 K N 1.590 121.693 120.400 -0.495 0.000 2.107 378 K HA -0.232 4.088 4.320 -0.000 0.000 0.211 378 K C 0.799 177.166 176.600 -0.389 0.000 1.049 378 K CA 2.041 57.870 56.287 -0.763 0.000 0.927 378 K CB 0.211 32.219 32.500 -0.821 0.000 0.714 378 K HN 0.038 nan 8.250 nan 0.000 0.452 379 D N 0.349 120.597 120.400 -0.253 0.000 2.084 379 D HA -0.209 4.431 4.640 -0.000 0.000 0.194 379 D C 1.846 178.065 176.300 -0.135 0.000 0.990 379 D CA 1.170 55.075 54.000 -0.158 0.000 0.826 379 D CB -0.262 40.466 40.800 -0.120 0.000 0.971 379 D HN 0.270 nan 8.370 nan 0.000 0.453 380 M N 0.648 120.163 119.600 -0.142 0.000 2.159 380 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 380 M C 1.938 178.156 176.300 -0.136 0.000 1.063 380 M CA 1.206 56.430 55.300 -0.126 0.000 1.110 380 M CB -0.351 32.177 32.600 -0.120 0.000 1.374 380 M HN -0.015 nan 8.290 nan 0.000 0.411 381 I N -0.192 120.272 120.570 -0.177 0.000 2.406 381 I HA -0.230 3.940 4.170 -0.000 0.000 0.249 381 I C 1.842 177.931 176.117 -0.047 0.000 1.122 381 I CA 0.699 61.899 61.300 -0.167 0.000 1.431 381 I CB -0.635 37.223 38.000 -0.236 0.000 1.087 381 I HN 0.181 nan 8.210 nan 0.000 0.424 382 D N 1.277 121.661 120.400 -0.026 0.000 2.123 382 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 382 D C 2.038 178.337 176.300 -0.000 0.000 0.992 382 D CA 1.346 55.359 54.000 0.022 0.000 0.833 382 D CB -0.150 40.650 40.800 -0.000 0.000 0.954 382 D HN 0.431 nan 8.370 nan 0.000 0.455 383 E N 0.301 120.480 120.200 -0.035 0.000 2.085 383 E HA -0.127 4.222 4.350 -0.000 0.000 0.194 383 E C 2.389 178.974 176.600 -0.025 0.000 0.994 383 E CA 0.525 56.900 56.400 -0.041 0.000 0.801 383 E CB -0.097 29.558 29.700 -0.075 0.000 0.743 383 E HN 0.297 nan 8.360 nan 0.000 0.453 384 L N 0.639 121.849 121.223 -0.022 0.000 2.093 384 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 384 L C 2.460 179.358 176.870 0.046 0.000 1.085 384 L CA 0.674 55.520 54.840 0.010 0.000 0.755 384 L CB -0.366 41.708 42.059 0.025 0.000 0.904 384 L HN 0.181 nan 8.230 nan 0.000 0.435 385 L N -0.123 121.126 121.223 0.043 0.000 2.046 385 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 385 L C 2.348 179.263 176.870 0.075 0.000 1.077 385 L CA 1.512 56.387 54.840 0.058 0.000 0.747 385 L CB -0.590 41.498 42.059 0.047 0.000 0.896 385 L HN 0.326 nan 8.230 nan 0.000 0.432 386 D N 0.109 120.553 120.400 0.074 0.000 2.123 386 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 386 D C 2.089 178.512 176.300 0.205 0.000 0.992 386 D CA 1.538 55.607 54.000 0.115 0.000 0.833 386 D CB 0.159 41.016 40.800 0.095 0.000 0.954 386 D HN 0.263 nan 8.370 nan 0.000 0.455 387 A N 0.561 123.472 122.820 0.152 0.000 1.851 387 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 387 A C 2.367 180.077 177.584 0.210 0.000 1.195 387 A CA 2.021 54.170 52.037 0.186 0.000 0.622 387 A CB -0.826 18.201 19.000 0.044 0.000 0.831 387 A HN 0.294 nan 8.150 nan 0.000 0.444 388 R N -0.655 119.917 120.500 0.121 0.000 2.073 388 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 388 R C 2.496 178.839 176.300 0.071 0.000 1.134 388 R CA 1.942 58.079 56.100 0.061 0.000 0.952 388 R CB -0.384 29.947 30.300 0.052 0.000 0.850 388 R HN 0.728 nan 8.270 nan 0.000 0.433 389 Q N -0.367 119.501 119.800 0.114 0.000 2.135 389 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 389 Q C 0.688 176.816 176.000 0.214 0.000 0.981 389 Q CA 1.866 57.751 55.803 0.137 0.000 0.856 389 Q CB 0.182 28.970 28.738 0.083 0.000 0.902 389 Q HN 0.463 nan 8.270 nan 0.000 0.425 390 N N -2.025 116.769 118.700 0.156 0.000 2.193 390 N HA 0.045 4.785 4.740 -0.000 0.000 0.210 390 N C 0.074 175.436 175.510 -0.247 0.000 1.215 390 N CA 0.248 53.239 53.050 -0.099 0.000 0.901 390 N CB 0.634 38.883 38.487 -0.396 0.000 1.060 390 N HN 0.270 nan 8.380 nan 0.000 0.508 391 Y N 0.346 120.766 120.300 0.199 0.000 2.425 391 Y HA 0.430 4.980 4.550 -0.000 0.000 0.261 391 Y C 1.048 177.053 175.900 0.175 0.000 1.084 391 Y CA -0.458 57.719 58.100 0.129 0.000 1.248 391 Y CB 0.557 38.988 38.460 -0.049 0.000 1.270 391 Y HN -0.091 nan 8.280 nan 0.000 0.524 392 A N 0.809 123.754 122.820 0.208 0.000 3.063 392 A HA 0.452 4.772 4.320 -0.000 0.000 0.263 392 A C -1.175 176.200 177.584 -0.347 0.000 1.736 392 A CA 0.213 52.232 52.037 -0.029 0.000 1.408 392 A CB -1.544 17.405 19.000 -0.084 0.000 1.108 392 A HN 0.390 nan 8.150 nan 0.000 0.621 393 Y N -0.334 119.998 120.300 0.053 0.000 2.638 393 Y HA 0.642 5.192 4.550 -0.000 0.000 0.339 393 Y C 0.867 176.794 175.900 0.045 0.000 1.084 393 Y CA -0.200 57.917 58.100 0.029 0.000 1.068 393 Y CB 1.501 39.962 38.460 0.002 0.000 1.294 393 Y HN 0.977 nan 8.280 nan 0.000 0.480 394 G N 0.255 109.172 108.800 0.195 0.000 2.829 394 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.628 394 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.628 394 G C -0.602 174.343 174.900 0.074 0.000 1.412 394 G CA -0.684 44.494 45.100 0.129 0.000 0.864 394 G HN 0.678 nan 8.290 nan 0.000 0.544 395 T N 0.966 115.553 114.554 0.055 0.000 2.923 395 T HA 0.286 4.635 4.350 -0.000 0.000 0.309 395 T C 0.684 175.320 174.700 -0.108 0.000 1.059 395 T CA 1.311 63.391 62.100 -0.032 0.000 1.133 395 T CB 0.806 69.673 68.868 -0.002 0.000 1.053 395 T HN 0.740 nan 8.240 nan 0.000 0.530 396 Q N 1.553 121.223 119.800 -0.217 0.000 2.306 396 Q HA 0.300 4.640 4.340 -0.000 0.000 0.265 396 Q C -1.146 174.622 176.000 -0.388 0.000 1.022 396 Q CA -0.827 54.878 55.803 -0.164 0.000 0.853 396 Q CB 0.895 29.596 28.738 -0.062 0.000 1.327 396 Q HN 0.727 nan 8.270 nan 0.000 0.449 397 H N 2.376 121.545 119.070 0.166 0.000 2.689 397 H HA 0.312 4.867 4.556 -0.000 0.000 0.346 397 H C -1.326 174.087 175.328 0.141 0.000 1.037 397 H CA -0.742 55.377 56.048 0.119 0.000 1.234 397 H CB 1.748 31.633 29.762 0.204 0.000 1.572 397 H HN 0.634 nan 8.280 nan 0.000 0.524 398 D N 1.760 122.198 120.400 0.064 0.000 2.217 398 D HA 0.244 4.884 4.640 -0.000 0.000 0.248 398 D C -0.355 175.817 176.300 -0.213 0.000 1.008 398 D CA -0.184 53.897 54.000 0.136 0.000 0.914 398 D CB 1.407 42.407 40.800 0.334 0.000 1.182 398 D HN 0.461 nan 8.370 nan 0.000 0.451 399 Y N 0.658 120.998 120.300 0.066 0.000 2.497 399 Y HA 0.254 4.803 4.550 -0.000 0.000 0.333 399 Y C -0.381 175.479 175.900 -0.066 0.000 1.046 399 Y CA -0.581 57.547 58.100 0.047 0.000 1.160 399 Y CB 0.029 38.505 38.460 0.027 0.000 1.123 399 Y HN 0.236 nan 8.280 nan 0.000 0.638 400 F N 0.909 121.012 119.950 0.255 0.000 2.871 400 F HA 0.177 4.703 4.527 -0.000 0.000 0.317 400 F C 0.555 176.476 175.800 0.203 0.000 1.193 400 F CA -0.699 57.441 58.000 0.233 0.000 1.311 400 F CB -0.241 38.874 39.000 0.191 0.000 1.380 400 F HN 0.340 nan 8.300 nan 0.000 0.557 401 D N -2.312 118.270 120.400 0.302 0.000 2.342 401 D HA -0.004 4.635 4.640 -0.000 0.000 0.221 401 D C 0.441 176.888 176.300 0.245 0.000 1.101 401 D CA 0.296 54.453 54.000 0.263 0.000 0.837 401 D CB -0.010 40.942 40.800 0.254 0.000 0.938 401 D HN 0.257 nan 8.370 nan 0.000 0.508 402 H N -0.343 118.786 119.070 0.098 0.000 2.996 402 H HA 0.173 4.729 4.556 -0.000 0.000 0.368 402 H C -0.372 174.968 175.328 0.020 0.000 1.185 402 H CA -1.004 54.987 56.048 -0.096 0.000 1.160 402 H CB 0.952 30.511 29.762 -0.338 0.000 1.820 402 H HN 0.111 nan 8.280 nan 0.000 0.547 403 W N 3.259 124.407 121.300 -0.253 0.000 2.425 403 W HA 0.043 4.703 4.660 -0.000 0.000 0.277 403 W C 0.262 176.927 176.519 0.243 0.000 1.231 403 W CA 1.040 58.384 57.345 -0.001 0.000 1.248 403 W CB 0.077 29.473 29.460 -0.106 0.000 1.117 403 W HN 0.368 nan 8.180 nan 0.000 0.568 404 D N 0.580 121.086 120.400 0.177 0.000 2.652 404 D HA 0.031 4.671 4.640 -0.000 0.000 0.261 404 D C 0.389 176.793 176.300 0.174 0.000 1.024 404 D CA 0.573 54.728 54.000 0.259 0.000 0.958 404 D CB -0.410 40.505 40.800 0.190 0.000 1.113 404 D HN -0.073 nan 8.370 nan 0.000 0.471 405 V N 2.700 122.629 119.914 0.025 0.000 2.432 405 V HA 0.471 4.590 4.120 -0.000 0.000 0.275 405 V C 0.356 176.430 176.094 -0.033 0.000 1.043 405 V CA -0.527 61.708 62.300 -0.109 0.000 0.925 405 V CB 1.378 33.005 31.823 -0.327 0.000 0.985 405 V HN 0.105 nan 8.190 nan 0.000 0.466 406 V N 1.948 121.837 119.914 -0.042 0.000 3.216 406 V HA 1.132 5.252 4.120 -0.000 0.000 0.302 406 V C -0.218 175.749 176.094 -0.211 0.000 1.286 406 V CA 0.063 62.320 62.300 -0.071 0.000 1.048 406 V CB 1.717 33.538 31.823 -0.004 0.000 1.081 406 V HN 1.153 nan 8.190 nan 0.000 0.442 407 G N 0.411 109.054 108.800 -0.261 0.000 2.619 407 G HA2 0.818 4.778 3.960 -0.000 0.000 0.305 407 G HA3 0.818 4.778 3.960 -0.000 0.000 0.305 407 G C -1.899 172.943 174.900 -0.097 0.000 1.330 407 G CA 0.003 44.864 45.100 -0.397 0.000 0.789 407 G HN 2.216 nan 8.290 nan 0.000 0.487 408 W N -1.348 119.903 121.300 -0.082 0.000 2.989 408 W HA 0.771 5.431 4.660 -0.000 0.000 0.344 408 W C -0.518 176.022 176.519 0.034 0.000 1.233 408 W CA -0.614 56.769 57.345 0.064 0.000 1.187 408 W CB 0.741 30.218 29.460 0.029 0.000 1.443 408 W HN 1.074 nan 8.180 nan 0.000 0.573 409 T N -0.777 114.033 114.554 0.427 0.000 2.864 409 T HA 0.807 5.157 4.350 -0.000 0.000 0.299 409 T C -1.181 173.712 174.700 0.322 0.000 1.166 409 T CA -1.242 61.022 62.100 0.275 0.000 1.007 409 T CB 2.259 71.232 68.868 0.176 0.000 1.219 409 T HN 0.693 nan 8.240 nan 0.000 0.506 410 R N 1.083 121.746 120.500 0.272 0.000 2.514 410 R HA 0.347 4.686 4.340 -0.000 0.000 0.296 410 R C 0.294 176.745 176.300 0.252 0.000 1.012 410 R CA -0.540 55.695 56.100 0.226 0.000 0.897 410 R CB 1.634 32.046 30.300 0.187 0.000 1.184 410 R HN 0.906 nan 8.270 nan 0.000 0.440 411 E N 1.247 121.584 120.200 0.229 0.000 2.409 411 E HA 0.009 4.358 4.350 -0.000 0.000 0.198 411 E C 0.668 177.392 176.600 0.205 0.000 1.024 411 E CA 0.798 57.326 56.400 0.213 0.000 0.861 411 E CB 0.137 29.950 29.700 0.190 0.000 0.788 411 E HN 0.911 nan 8.360 nan 0.000 0.521 412 G N 0.988 109.905 108.800 0.196 0.000 2.756 412 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.678 412 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.678 412 G C -0.406 174.572 174.900 0.131 0.000 1.349 412 G CA -0.363 44.839 45.100 0.171 0.000 0.847 412 G HN 0.334 nan 8.290 nan 0.000 0.548 413 S N -1.274 114.471 115.700 0.076 0.000 2.538 413 S HA 0.770 5.240 4.470 -0.000 0.000 0.288 413 S C 1.431 176.024 174.600 -0.012 0.000 1.108 413 S CA 0.702 58.927 58.200 0.041 0.000 0.971 413 S CB 1.780 65.008 63.200 0.047 0.000 1.041 413 S HN 2.403 nan 8.310 nan 0.000 0.483 414 S N 2.836 118.539 115.700 0.004 0.000 2.381 414 S HA -0.265 4.205 4.470 -0.000 0.000 0.230 414 S C 1.962 176.537 174.600 -0.042 0.000 1.052 414 S CA 1.956 60.151 58.200 -0.009 0.000 1.068 414 S CB -1.677 61.525 63.200 0.003 0.000 0.918 414 S HN 1.347 nan 8.310 nan 0.000 0.448 415 S N 1.263 116.929 115.700 -0.057 0.000 2.442 415 S HA -0.035 4.435 4.470 -0.000 0.000 0.236 415 S C 1.143 175.655 174.600 -0.148 0.000 1.007 415 S CA 0.701 58.848 58.200 -0.087 0.000 0.965 415 S CB -0.397 62.755 63.200 -0.080 0.000 0.773 415 S HN 0.580 nan 8.310 nan 0.000 0.504 416 R N 1.911 122.295 120.500 -0.193 0.000 2.443 416 R HA 0.361 4.701 4.340 -0.000 0.000 0.287 416 R C -3.204 172.972 176.300 -0.205 0.000 1.425 416 R CA -2.410 53.522 56.100 -0.281 0.000 1.300 416 R CB 0.909 30.874 30.300 -0.558 0.000 1.129 416 R HN 0.129 nan 8.270 nan 0.000 0.577 417 P HA -0.019 nan 4.420 nan 0.000 0.258 417 P C -0.574 176.659 177.300 -0.113 0.000 1.172 417 P CA 0.746 63.788 63.100 -0.096 0.000 0.762 417 P CB 0.439 32.092 31.700 -0.078 0.000 0.764 418 N N -0.985 117.684 118.700 -0.053 0.000 2.984 418 N HA -0.161 4.579 4.740 -0.000 0.000 0.227 418 N C -0.094 175.387 175.510 -0.049 0.000 0.903 418 N CA 1.462 54.495 53.050 -0.029 0.000 0.995 418 N CB -1.788 36.671 38.487 -0.047 0.000 1.065 418 N HN 0.550 nan 8.380 nan 0.000 0.585 419 S N -0.205 115.432 115.700 -0.105 0.000 2.580 419 S HA 0.535 5.005 4.470 -0.000 0.000 0.261 419 S C 0.831 175.488 174.600 0.096 0.000 1.366 419 S CA 0.368 58.538 58.200 -0.051 0.000 0.996 419 S CB 1.405 64.570 63.200 -0.058 0.000 0.902 419 S HN 1.272 nan 8.310 nan 0.000 0.566 420 G N -0.245 108.650 108.800 0.159 0.000 2.535 420 G HA2 0.475 4.435 3.960 -0.000 0.000 0.662 420 G HA3 0.475 4.435 3.960 -0.000 0.000 0.662 420 G C -1.438 173.383 174.900 -0.132 0.000 1.417 420 G CA -0.510 44.660 45.100 0.116 0.000 0.866 420 G HN 1.931 nan 8.290 nan 0.000 0.647 421 L N -1.416 119.800 121.223 -0.010 0.000 2.775 421 L HA 1.060 5.400 4.340 -0.000 0.000 0.263 421 L C -0.341 176.616 176.870 0.146 0.000 1.017 421 L CA -0.785 53.984 54.840 -0.119 0.000 0.891 421 L CB 1.365 43.388 42.059 -0.061 0.000 1.482 421 L HN 2.392 nan 8.230 nan 0.000 0.410 422 A N 0.289 123.118 122.820 0.015 0.000 2.385 422 A HA 0.825 5.145 4.320 -0.000 0.000 0.290 422 A C -0.614 176.740 177.584 -0.383 0.000 1.094 422 A CA -0.354 51.501 52.037 -0.303 0.000 0.729 422 A CB 1.272 19.662 19.000 -1.018 0.000 1.194 422 A HN 0.739 nan 8.150 nan 0.000 0.442 423 T N 2.871 117.089 114.554 -0.559 0.000 2.794 423 T HA 0.646 4.996 4.350 -0.000 0.000 0.280 423 T C -0.452 173.788 174.700 -0.766 0.000 0.987 423 T CA -0.031 61.622 62.100 -0.746 0.000 0.993 423 T CB 0.685 68.760 68.868 -1.321 0.000 0.939 423 T HN 0.662 nan 8.240 nan 0.000 0.449 424 I N 4.509 124.783 120.570 -0.493 0.000 2.802 424 I HA 0.751 4.921 4.170 -0.000 0.000 0.298 424 I C -1.493 174.459 176.117 -0.275 0.000 1.176 424 I CA -1.290 59.790 61.300 -0.366 0.000 1.025 424 I CB 1.664 39.553 38.000 -0.184 0.000 1.243 424 I HN 0.844 nan 8.210 nan 0.000 0.424 425 M N 4.343 123.805 119.600 -0.231 0.000 2.833 425 M HA 0.626 5.105 4.480 -0.000 0.000 0.270 425 M C -1.649 174.603 176.300 -0.079 0.000 1.209 425 M CA -0.644 54.562 55.300 -0.155 0.000 0.826 425 M CB 1.945 34.426 32.600 -0.199 0.000 1.657 425 M HN 0.403 nan 8.290 nan 0.000 0.492 426 S N 0.207 115.894 115.700 -0.022 0.000 2.536 426 S HA 0.509 4.978 4.470 -0.000 0.000 0.271 426 S C -0.879 173.804 174.600 0.138 0.000 1.134 426 S CA -0.486 57.745 58.200 0.052 0.000 0.897 426 S CB 1.427 64.640 63.200 0.023 0.000 1.094 426 S HN 0.966 nan 8.310 nan 0.000 0.473 427 N N 2.580 121.434 118.700 0.256 0.000 2.230 427 N HA 0.258 4.997 4.740 -0.000 0.000 0.202 427 N C 0.533 176.284 175.510 0.401 0.000 1.119 427 N CA 0.130 53.450 53.050 0.450 0.000 0.851 427 N CB 0.590 39.433 38.487 0.593 0.000 0.990 427 N HN 0.600 nan 8.380 nan 0.000 0.497 428 G N -0.010 108.947 108.800 0.262 0.000 3.166 428 G HA2 0.546 4.506 3.960 -0.000 0.000 0.267 428 G HA3 0.546 4.506 3.960 -0.000 0.000 0.267 428 G C -3.036 171.943 174.900 0.131 0.000 1.256 428 G CA -1.415 43.807 45.100 0.203 0.000 0.859 428 G HN -0.065 nan 8.290 nan 0.000 0.590 429 P HA 0.191 nan 4.420 nan 0.000 0.267 429 P C 0.673 177.997 177.300 0.040 0.000 1.195 429 P CA 0.397 63.539 63.100 0.071 0.000 0.773 429 P CB 0.417 32.163 31.700 0.077 0.000 0.837 430 G N 0.721 109.540 108.800 0.031 0.000 2.684 430 G HA2 0.501 4.461 3.960 -0.000 0.000 0.255 430 G HA3 0.501 4.461 3.960 -0.000 0.000 0.255 430 G C 0.068 174.955 174.900 -0.023 0.000 1.219 430 G CA 0.216 45.325 45.100 0.016 0.000 0.901 430 G HN 0.728 nan 8.290 nan 0.000 0.548 431 G N -1.554 107.221 108.800 -0.041 0.000 2.489 431 G HA2 0.682 4.641 3.960 -0.000 0.000 0.305 431 G HA3 0.682 4.641 3.960 -0.000 0.000 0.305 431 G C -0.780 174.007 174.900 -0.188 0.000 1.311 431 G CA 0.380 45.410 45.100 -0.115 0.000 0.813 431 G HN 1.593 nan 8.290 nan 0.000 0.480 432 S N -1.011 114.470 115.700 -0.365 0.000 2.627 432 S HA 0.860 5.330 4.470 -0.000 0.000 0.283 432 S C -1.085 173.212 174.600 -0.504 0.000 1.127 432 S CA -0.766 57.020 58.200 -0.690 0.000 0.863 432 S CB 2.718 65.038 63.200 -1.466 0.000 1.121 432 S HN 0.930 nan 8.310 nan 0.000 0.479 433 K N 0.544 120.631 120.400 -0.523 0.000 2.543 433 K HA 0.300 4.620 4.320 -0.000 0.000 0.255 433 K C -2.131 174.284 176.600 -0.309 0.000 0.934 433 K CA -0.506 55.594 56.287 -0.311 0.000 0.810 433 K CB 1.381 33.740 32.500 -0.235 0.000 1.315 433 K HN 0.779 nan 8.250 nan 0.000 0.433 434 W N 5.332 126.554 121.300 -0.131 0.000 2.345 434 W HA 0.367 5.027 4.660 -0.000 0.000 0.308 434 W C 0.096 176.619 176.519 0.006 0.000 1.273 434 W CA -0.264 57.087 57.345 0.010 0.000 1.243 434 W CB 0.827 30.354 29.460 0.111 0.000 1.260 434 W HN 0.246 nan 8.180 nan 0.000 0.509 435 M N 3.752 123.412 119.600 0.101 0.000 2.457 435 M HA 0.245 4.725 4.480 -0.000 0.000 0.300 435 M C -0.946 175.067 176.300 -0.479 0.000 1.141 435 M CA -1.285 53.754 55.300 -0.436 0.000 0.901 435 M CB 2.217 34.398 32.600 -0.698 0.000 1.687 435 M HN 0.272 nan 8.290 nan 0.000 0.449 436 Y N 1.779 121.435 120.300 -1.073 0.000 2.336 436 Y HA 0.392 4.942 4.550 -0.000 0.000 0.331 436 Y C 0.441 175.982 175.900 -0.599 0.000 1.211 436 Y CA 0.072 57.331 58.100 -1.401 0.000 1.346 436 Y CB 0.959 38.516 38.460 -1.504 0.000 1.271 436 Y HN 0.411 nan 8.280 nan 0.000 0.538 437 V N 1.062 120.267 119.914 -1.182 0.000 3.415 437 V HA 0.590 4.709 4.120 -0.000 0.000 0.315 437 V C 0.008 175.708 176.094 -0.657 0.000 1.516 437 V CA 0.101 62.030 62.300 -0.618 0.000 1.122 437 V CB -0.049 31.528 31.823 -0.410 0.000 0.988 437 V HN 1.533 nan 8.190 nan 0.000 0.474 438 G N 1.560 109.505 108.800 -1.426 0.000 3.439 438 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 438 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 438 G C 0.169 174.874 174.900 -0.326 0.000 1.075 438 G CA 0.115 44.852 45.100 -0.605 0.000 0.926 438 G HN 0.645 nan 8.290 nan 0.000 0.485 439 R N 1.433 121.910 120.500 -0.038 0.000 2.211 439 R HA -0.201 4.138 4.340 -0.000 0.000 0.240 439 R C 2.656 178.983 176.300 0.046 0.000 1.144 439 R CA 2.146 58.297 56.100 0.085 0.000 0.992 439 R CB -0.035 30.391 30.300 0.210 0.000 0.869 439 R HN 0.754 nan 8.270 nan 0.000 0.462 440 Q N -0.449 119.378 119.800 0.046 0.000 2.488 440 Q HA -0.091 4.249 4.340 -0.000 0.000 0.211 440 Q C 0.012 176.045 176.000 0.055 0.000 0.967 440 Q CA 0.963 56.800 55.803 0.057 0.000 0.926 440 Q CB 0.044 28.825 28.738 0.071 0.000 0.992 440 Q HN 0.326 nan 8.270 nan 0.000 0.506 441 N N 0.864 119.579 118.700 0.025 0.000 2.238 441 N HA 0.245 4.984 4.740 -0.000 0.000 0.222 441 N C -0.264 175.235 175.510 -0.017 0.000 1.133 441 N CA 0.353 53.438 53.050 0.057 0.000 0.854 441 N CB 0.846 39.395 38.487 0.103 0.000 1.041 441 N HN 0.290 nan 8.380 nan 0.000 0.510 442 A N -0.239 122.573 122.820 -0.014 0.000 2.483 442 A HA 0.446 4.766 4.320 -0.000 0.000 0.238 442 A C 1.499 179.080 177.584 -0.005 0.000 1.070 442 A CA 0.836 52.861 52.037 -0.020 0.000 0.770 442 A CB -0.201 18.810 19.000 0.018 0.000 1.008 442 A HN 0.425 nan 8.150 nan 0.000 0.497 443 G N 0.399 109.186 108.800 -0.021 0.000 2.220 443 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.269 443 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.269 443 G C 0.368 175.276 174.900 0.013 0.000 0.977 443 G CA 0.899 45.997 45.100 -0.003 0.000 0.634 443 G HN 0.983 nan 8.290 nan 0.000 0.539 444 Q N 0.387 120.198 119.800 0.019 0.000 2.417 444 Q HA 0.518 4.858 4.340 -0.000 0.000 0.241 444 Q C -0.226 175.822 176.000 0.080 0.000 1.008 444 Q CA 0.632 56.505 55.803 0.116 0.000 0.901 444 Q CB 0.692 29.602 28.738 0.286 0.000 1.259 444 Q HN 0.231 nan 8.270 nan 0.000 0.489 445 T N 1.625 116.307 114.554 0.214 0.000 2.791 445 T HA 0.336 4.686 4.350 -0.000 0.000 0.288 445 T C -1.261 173.700 174.700 0.436 0.000 0.999 445 T CA -0.626 61.589 62.100 0.191 0.000 0.952 445 T CB 0.304 69.240 68.868 0.113 0.000 0.938 445 T HN 0.322 nan 8.240 nan 0.000 0.444 446 W N 2.796 124.127 121.300 0.052 0.000 2.512 446 W HA 0.633 5.292 4.660 -0.000 0.000 0.335 446 W C 0.496 177.124 176.519 0.182 0.000 1.088 446 W CA -0.920 56.498 57.345 0.121 0.000 1.236 446 W CB 1.021 30.606 29.460 0.208 0.000 1.307 446 W HN 0.625 nan 8.180 nan 0.000 0.567 447 T N -1.376 113.388 114.554 0.349 0.000 2.903 447 T HA 0.223 4.573 4.350 -0.000 0.000 0.299 447 T C -0.957 173.766 174.700 0.037 0.000 1.093 447 T CA -0.883 61.367 62.100 0.251 0.000 1.002 447 T CB 2.255 71.180 68.868 0.095 0.000 1.127 447 T HN 0.211 nan 8.240 nan 0.000 0.488 448 D N 1.257 121.544 120.400 -0.188 0.000 2.363 448 D HA 0.085 4.725 4.640 -0.000 0.000 0.263 448 D C 1.124 177.241 176.300 -0.306 0.000 1.258 448 D CA -0.385 53.311 54.000 -0.506 0.000 0.907 448 D CB 0.304 40.717 40.800 -0.646 0.000 1.107 448 D HN 0.556 nan 8.370 nan 0.000 0.495 449 L N 3.035 124.071 121.223 -0.311 0.000 2.261 449 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 449 L C 2.186 178.942 176.870 -0.190 0.000 1.114 449 L CA 1.521 56.215 54.840 -0.243 0.000 0.777 449 L CB -0.265 41.631 42.059 -0.272 0.000 0.910 449 L HN 0.537 nan 8.230 nan 0.000 0.440 450 T N -4.669 109.757 114.554 -0.212 0.000 3.065 450 T HA 0.126 4.476 4.350 -0.000 0.000 0.252 450 T C 1.467 176.081 174.700 -0.143 0.000 1.099 450 T CA 0.505 62.506 62.100 -0.166 0.000 1.063 450 T CB 0.423 69.188 68.868 -0.172 0.000 0.948 450 T HN 0.415 nan 8.240 nan 0.000 0.506 451 G N 2.032 110.737 108.800 -0.159 0.000 2.168 451 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 451 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 451 G C 0.760 175.597 174.900 -0.105 0.000 0.997 451 G CA 0.371 45.399 45.100 -0.119 0.000 0.708 451 G HN 0.550 nan 8.290 nan 0.000 0.520 452 N N 0.296 118.920 118.700 -0.128 0.000 2.412 452 N HA 0.029 4.769 4.740 -0.000 0.000 0.184 452 N C 0.334 175.801 175.510 -0.072 0.000 1.101 452 N CA 0.504 53.499 53.050 -0.092 0.000 0.881 452 N CB 0.161 38.592 38.487 -0.095 0.000 0.969 452 N HN 0.582 nan 8.380 nan 0.000 0.459 453 N N -0.667 117.979 118.700 -0.090 0.000 2.478 453 N HA 0.138 4.877 4.740 -0.000 0.000 0.291 453 N C 0.521 176.020 175.510 -0.018 0.000 1.090 453 N CA -0.212 52.821 53.050 -0.029 0.000 0.911 453 N CB 1.589 40.105 38.487 0.048 0.000 1.546 453 N HN -0.026 nan 8.380 nan 0.000 0.500 454 G N 1.565 110.354 108.800 -0.020 0.000 2.509 454 G HA2 0.012 3.972 3.960 -0.000 0.000 0.218 454 G HA3 0.012 3.972 3.960 -0.000 0.000 0.218 454 G C 0.707 175.609 174.900 0.002 0.000 1.124 454 G CA 0.693 45.781 45.100 -0.020 0.000 0.776 454 G HN 0.763 nan 8.290 nan 0.000 0.547 455 A N 0.127 122.952 122.820 0.009 0.000 2.609 455 A HA 0.394 4.714 4.320 -0.000 0.000 0.232 455 A C 0.701 178.347 177.584 0.104 0.000 1.041 455 A CA 0.853 52.878 52.037 -0.019 0.000 0.753 455 A CB 0.140 19.105 19.000 -0.059 0.000 0.966 455 A HN 0.484 nan 8.150 nan 0.000 0.510 456 S N 1.717 117.420 115.700 0.005 0.000 2.530 456 S HA 0.523 4.993 4.470 -0.000 0.000 0.322 456 S C -0.678 173.893 174.600 -0.048 0.000 1.085 456 S CA -0.607 57.617 58.200 0.041 0.000 1.096 456 S CB 0.486 63.693 63.200 0.011 0.000 0.988 456 S HN 0.757 nan 8.310 nan 0.000 0.466 457 V N 5.205 125.081 119.914 -0.064 0.000 2.427 457 V HA 0.478 4.597 4.120 -0.000 0.000 0.286 457 V C 0.337 176.292 176.094 -0.232 0.000 1.034 457 V CA -0.519 61.608 62.300 -0.289 0.000 0.893 457 V CB 1.736 33.144 31.823 -0.691 0.000 0.982 457 V HN 0.890 nan 8.190 nan 0.000 0.452 458 T N 5.979 120.381 114.554 -0.254 0.000 2.794 458 T HA 0.524 4.874 4.350 -0.000 0.000 0.280 458 T C -0.131 174.412 174.700 -0.261 0.000 0.987 458 T CA -0.356 61.630 62.100 -0.191 0.000 0.993 458 T CB 0.921 69.731 68.868 -0.098 0.000 0.939 458 T HN 0.297 nan 8.240 nan 0.000 0.449 459 I N 4.656 125.057 120.570 -0.282 0.000 2.416 459 I HA 0.201 4.370 4.170 -0.000 0.000 0.288 459 I C 0.868 176.926 176.117 -0.097 0.000 1.051 459 I CA -0.860 60.277 61.300 -0.271 0.000 1.375 459 I CB -0.188 37.589 38.000 -0.372 0.000 1.407 459 I HN 0.697 nan 8.210 nan 0.000 0.516 460 N N 4.517 123.216 118.700 -0.002 0.000 2.366 460 N HA 0.192 4.932 4.740 -0.000 0.000 0.277 460 N C 1.239 176.787 175.510 0.064 0.000 1.275 460 N CA -0.008 53.075 53.050 0.054 0.000 0.964 460 N CB -0.032 38.523 38.487 0.114 0.000 1.167 460 N HN 0.581 nan 8.380 nan 0.000 0.568 461 G N -0.968 107.871 108.800 0.065 0.000 2.442 461 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 461 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 461 G C 0.692 175.663 174.900 0.118 0.000 1.141 461 G CA 0.824 45.965 45.100 0.068 0.000 0.763 461 G HN 0.687 nan 8.290 nan 0.000 0.554 462 D N 0.239 120.746 120.400 0.178 0.000 2.347 462 D HA 0.139 4.779 4.640 -0.000 0.000 0.215 462 D C 1.967 178.552 176.300 0.474 0.000 0.976 462 D CA 1.073 55.260 54.000 0.312 0.000 0.884 462 D CB -0.036 40.944 40.800 0.301 0.000 0.915 462 D HN 0.456 nan 8.370 nan 0.000 0.526 463 G N 0.204 109.170 108.800 0.277 0.000 2.131 463 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.201 463 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.201 463 G C -0.483 174.328 174.900 -0.149 0.000 1.000 463 G CA -0.446 44.650 45.100 -0.008 0.000 0.680 463 G HN 0.083 nan 8.290 nan 0.000 0.514 464 W N -0.226 121.091 121.300 0.029 0.000 2.578 464 W HA 0.725 5.385 4.660 -0.000 0.000 0.346 464 W C 0.538 177.081 176.519 0.041 0.000 1.075 464 W CA 0.178 57.591 57.345 0.112 0.000 1.233 464 W CB 2.168 31.771 29.460 0.239 0.000 1.358 464 W HN 0.666 nan 8.180 nan 0.000 0.574 465 G N 0.700 109.571 108.800 0.119 0.000 2.718 465 G HA2 0.464 4.424 3.960 -0.000 0.000 0.295 465 G HA3 0.464 4.424 3.960 -0.000 0.000 0.295 465 G C -2.028 172.254 174.900 -1.030 0.000 1.421 465 G CA -0.870 43.927 45.100 -0.505 0.000 0.902 465 G HN 0.370 nan 8.290 nan 0.000 0.501 466 E N 0.710 119.967 120.200 -1.572 0.000 2.134 466 E HA 0.558 4.908 4.350 -0.000 0.000 0.278 466 E C -1.148 174.650 176.600 -1.337 0.000 0.959 466 E CA -0.597 54.780 56.400 -1.704 0.000 0.783 466 E CB 0.746 29.206 29.700 -2.068 0.000 1.095 466 E HN 0.221 nan 8.360 nan 0.000 0.399 467 F N 3.916 123.374 119.950 -0.821 0.000 2.450 467 F HA 0.479 5.006 4.527 -0.000 0.000 0.332 467 F C -0.337 175.097 175.800 -0.611 0.000 1.093 467 F CA -0.665 56.919 58.000 -0.694 0.000 1.003 467 F CB 0.878 39.507 39.000 -0.619 0.000 1.151 467 F HN 0.375 nan 8.300 nan 0.000 0.474 468 F N 0.124 120.015 119.950 -0.098 0.000 2.575 468 F HA 0.751 5.278 4.527 -0.000 0.000 0.330 468 F C 0.228 176.098 175.800 0.117 0.000 1.056 468 F CA -0.910 57.087 58.000 -0.004 0.000 0.964 468 F CB 2.191 41.170 39.000 -0.034 0.000 1.258 468 F HN 0.334 nan 8.300 nan 0.000 0.484 469 T N 1.154 115.845 114.554 0.229 0.000 3.047 469 T HA 0.327 4.676 4.350 -0.000 0.000 0.340 469 T C -1.114 173.634 174.700 0.081 0.000 1.421 469 T CA -0.892 61.279 62.100 0.118 0.000 1.090 469 T CB 0.753 69.640 68.868 0.032 0.000 1.292 469 T HN 0.549 nan 8.240 nan 0.000 0.480 470 N N 1.167 119.900 118.700 0.055 0.000 2.418 470 N HA 0.412 5.151 4.740 -0.000 0.000 0.283 470 N C 0.762 176.296 175.510 0.040 0.000 1.267 470 N CA -0.353 52.724 53.050 0.044 0.000 0.975 470 N CB 0.117 38.622 38.487 0.031 0.000 1.167 470 N HN 0.825 nan 8.380 nan 0.000 0.581 471 G N -1.656 107.171 108.800 0.045 0.000 2.554 471 G HA2 0.328 4.288 3.960 -0.000 0.000 0.238 471 G HA3 0.328 4.288 3.960 -0.000 0.000 0.238 471 G C 0.757 175.711 174.900 0.090 0.000 1.259 471 G CA 0.105 45.243 45.100 0.063 0.000 0.843 471 G HN 0.730 nan 8.290 nan 0.000 0.582 472 G N -0.791 108.098 108.800 0.149 0.000 2.385 472 G HA2 0.066 4.026 3.960 -0.000 0.000 0.284 472 G HA3 0.066 4.026 3.960 -0.000 0.000 0.284 472 G C 0.415 175.412 174.900 0.161 0.000 0.899 472 G CA 1.220 46.474 45.100 0.257 0.000 1.204 472 G HN 1.527 nan 8.290 nan 0.000 0.486 473 S N -1.787 113.947 115.700 0.056 0.000 2.625 473 S HA 0.773 5.243 4.470 -0.000 0.000 0.271 473 S C -0.823 173.728 174.600 -0.081 0.000 1.161 473 S CA 0.051 58.243 58.200 -0.013 0.000 0.820 473 S CB 2.454 65.652 63.200 -0.004 0.000 1.137 473 S HN 1.564 nan 8.310 nan 0.000 0.470 474 V N 1.615 121.456 119.914 -0.122 0.000 2.876 474 V HA 0.908 5.027 4.120 -0.000 0.000 0.312 474 V C -1.006 174.977 176.094 -0.184 0.000 1.085 474 V CA -0.082 62.115 62.300 -0.172 0.000 0.945 474 V CB 2.116 33.813 31.823 -0.209 0.000 1.017 474 V HN 0.989 nan 8.190 nan 0.000 0.428 475 S N 3.448 119.014 115.700 -0.224 0.000 2.549 475 S HA 0.775 5.245 4.470 -0.000 0.000 0.280 475 S C -1.196 173.191 174.600 -0.355 0.000 1.109 475 S CA -0.524 57.484 58.200 -0.320 0.000 0.905 475 S CB 2.045 65.018 63.200 -0.377 0.000 1.081 475 S HN 0.731 nan 8.310 nan 0.000 0.477 476 V N 3.343 123.007 119.914 -0.416 0.000 2.443 476 V HA 0.306 4.426 4.120 -0.000 0.000 0.272 476 V C -1.574 174.323 176.094 -0.328 0.000 1.002 476 V CA -0.626 61.485 62.300 -0.315 0.000 0.840 476 V CB 0.000 31.679 31.823 -0.240 0.000 1.042 476 V HN 0.848 nan 8.190 nan 0.000 0.446 477 Y N 3.521 123.736 120.300 -0.141 0.000 2.377 477 Y HA 0.538 5.088 4.550 -0.000 0.000 0.330 477 Y C 0.568 176.345 175.900 -0.204 0.000 1.108 477 Y CA -0.222 57.874 58.100 -0.007 0.000 1.308 477 Y CB 1.235 39.911 38.460 0.359 0.000 1.216 477 Y HN 0.512 nan 8.280 nan 0.000 0.518 478 V N -0.205 119.518 119.914 -0.318 0.000 3.181 478 V HA 0.542 4.661 4.120 -0.000 0.000 0.308 478 V C -0.881 174.661 176.094 -0.920 0.000 1.214 478 V CA -1.330 60.386 62.300 -0.974 0.000 1.053 478 V CB 2.258 33.353 31.823 -1.213 0.000 1.069 478 V HN 0.646 nan 8.190 nan 0.000 0.441 479 N N 2.234 120.304 118.700 -1.050 0.000 3.034 479 N HA 0.280 5.019 4.740 -0.000 0.000 0.265 479 N C 0.110 175.569 175.510 -0.086 0.000 1.166 479 N CA -0.324 52.475 53.050 -0.419 0.000 1.081 479 N CB -0.051 38.340 38.487 -0.159 0.000 1.378 479 N HN 0.920 nan 8.380 nan 0.000 0.520 480 Q N 0.000 119.745 119.800 -0.091 0.000 2.315 480 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 480 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 480 Q CB 0.000 28.707 28.738 -0.052 0.000 1.108 480 Q HN 0.000 nan 8.270 nan 0.000 0.481