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 1ud6_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 0.000 176.282 176.300 -0.031 0.000 2.045 1 D CA 0.000 53.978 54.000 -0.036 0.000 0.868 1 D CB 0.000 40.769 40.800 -0.052 0.000 0.688 2 G N 0.514 109.311 108.800 -0.006 0.000 2.176 2 G HA2 -0.268 3.692 3.960 0.000 0.000 0.232 2 G HA3 -0.268 3.692 3.960 0.000 0.000 0.232 2 G C 0.237 175.203 174.900 0.110 0.000 0.986 2 G CA -0.081 45.038 45.100 0.032 0.000 0.643 2 G HN 0.405 nan 8.290 nan 0.000 0.522 3 L N 2.084 123.354 121.223 0.078 0.000 2.578 3 L HA 0.331 4.672 4.340 0.000 0.000 0.279 3 L C 0.432 177.370 176.870 0.114 0.000 1.227 3 L CA -0.551 54.374 54.840 0.141 0.000 0.900 3 L CB 0.053 42.146 42.059 0.058 0.000 1.144 3 L HN 0.269 nan 8.230 nan 0.000 0.496 4 N N 3.399 122.178 118.700 0.131 0.000 2.441 4 N HA 0.171 4.911 4.740 0.000 0.000 0.251 4 N C -0.023 175.477 175.510 -0.017 0.000 1.242 4 N CA 0.666 53.696 53.050 -0.033 0.000 0.898 4 N CB 0.728 39.121 38.487 -0.157 0.000 1.100 4 N HN 0.862 nan 8.380 nan 0.000 0.443 5 G N 0.042 108.799 108.800 -0.072 0.000 2.356 5 G HA2 0.451 4.412 3.960 0.000 0.000 0.298 5 G HA3 0.451 4.412 3.960 0.000 0.000 0.298 5 G C -0.661 174.361 174.900 0.204 0.000 1.145 5 G CA -0.258 44.834 45.100 -0.014 0.000 0.850 5 G HN 0.380 nan 8.290 nan 0.000 0.487 6 T N 2.884 117.589 114.554 0.252 0.000 2.937 6 T HA 0.383 4.733 4.350 0.000 0.000 0.297 6 T C -0.130 174.679 174.700 0.182 0.000 0.991 6 T CA -0.425 61.819 62.100 0.239 0.000 0.990 6 T CB 1.432 70.375 68.868 0.125 0.000 0.991 6 T HN 0.555 nan 8.240 nan 0.000 0.440 7 M N 4.248 123.919 119.600 0.118 0.000 2.342 7 M HA 0.704 5.184 4.480 0.000 0.000 0.332 7 M C -1.042 175.337 176.300 0.131 0.000 1.166 7 M CA -0.744 54.582 55.300 0.043 0.000 1.086 7 M CB 1.376 33.904 32.600 -0.119 0.000 1.541 7 M HN 0.707 nan 8.290 nan 0.000 0.462 8 M N 3.869 123.565 119.600 0.160 0.000 2.267 8 M HA 0.270 4.750 4.480 0.000 0.000 0.289 8 M C -1.410 175.040 176.300 0.252 0.000 1.043 8 M CA -0.486 54.922 55.300 0.180 0.000 0.928 8 M CB 2.054 34.703 32.600 0.081 0.000 1.613 8 M HN 0.761 nan 8.290 nan 0.000 0.450 9 Q N 3.510 123.422 119.800 0.188 0.000 2.344 9 Q HA 0.064 4.404 4.340 0.000 0.000 0.253 9 Q C -1.511 174.449 176.000 -0.066 0.000 1.050 9 Q CA -0.090 55.584 55.803 -0.214 0.000 0.912 9 Q CB 0.477 28.827 28.738 -0.647 0.000 1.258 9 Q HN 0.779 nan 8.270 nan 0.000 0.443 10 Y N 7.030 127.309 120.300 -0.034 0.000 2.971 10 Y HA 0.115 4.665 4.550 0.000 0.000 0.384 10 Y C -1.478 174.464 175.900 0.070 0.000 1.166 10 Y CA -0.063 58.140 58.100 0.172 0.000 1.973 10 Y CB -0.486 38.094 38.460 0.200 0.000 2.082 10 Y HN 0.544 nan 8.280 nan 0.000 0.420 11 Y N -0.876 119.110 120.300 -0.523 0.000 2.841 11 Y HA 0.461 5.011 4.550 0.000 0.000 0.373 11 Y C -1.759 173.920 175.900 -0.369 0.000 1.170 11 Y CA -1.953 55.660 58.100 -0.813 0.000 1.196 11 Y CB 0.406 38.493 38.460 -0.621 0.000 1.433 11 Y HN 0.170 nan 8.280 nan 0.000 0.479 12 E N 1.609 121.698 120.200 -0.184 0.000 2.416 12 E HA 0.263 4.613 4.350 0.000 0.000 0.273 12 E C -0.330 176.416 176.600 0.244 0.000 0.935 12 E CA -1.071 55.419 56.400 0.149 0.000 0.784 12 E CB 1.506 31.287 29.700 0.135 0.000 1.301 12 E HN 0.816 nan 8.360 nan 0.000 0.454 13 W N 1.268 122.655 121.300 0.146 0.000 2.342 13 W HA -0.133 4.527 4.660 0.000 0.000 0.297 13 W C 0.259 176.652 176.519 -0.209 0.000 1.213 13 W CA 1.424 58.759 57.345 -0.018 0.000 1.251 13 W CB 0.109 29.488 29.460 -0.136 0.000 1.136 13 W HN 0.674 nan 8.180 nan 0.000 0.526 14 H N 0.479 119.679 119.070 0.218 0.000 2.610 14 H HA 0.193 4.749 4.556 0.000 0.000 0.302 14 H C 0.762 176.073 175.328 -0.028 0.000 1.063 14 H CA 0.064 56.158 56.048 0.077 0.000 1.159 14 H CB -0.624 29.203 29.762 0.109 0.000 1.427 14 H HN -0.021 nan 8.280 nan 0.000 0.553 15 L N 1.338 122.540 121.223 -0.035 0.000 2.499 15 L HA -0.053 4.287 4.340 0.000 0.000 0.281 15 L C 0.992 177.781 176.870 -0.134 0.000 1.234 15 L CA 0.325 55.089 54.840 -0.126 0.000 0.839 15 L CB 0.623 42.500 42.059 -0.303 0.000 1.104 15 L HN 0.144 nan 8.230 nan 0.000 0.500 16 E N 1.925 122.055 120.200 -0.117 0.000 2.373 16 E HA -0.045 4.305 4.350 0.000 0.000 0.267 16 E C -0.313 176.180 176.600 -0.178 0.000 1.032 16 E CA -0.088 56.246 56.400 -0.110 0.000 0.889 16 E CB 0.619 30.277 29.700 -0.069 0.000 0.984 16 E HN 0.301 nan 8.360 nan 0.000 0.425 17 N N 2.539 121.134 118.700 -0.175 0.000 3.298 17 N HA -0.033 4.708 4.740 0.000 0.000 0.292 17 N C -0.495 174.919 175.510 -0.159 0.000 1.271 17 N CA -0.161 52.757 53.050 -0.221 0.000 1.184 17 N CB -0.069 38.292 38.487 -0.210 0.000 1.452 17 N HN 0.259 nan 8.380 nan 0.000 0.534 18 D N -0.309 120.008 120.400 -0.138 0.000 2.431 18 D HA 0.184 4.824 4.640 0.000 0.000 0.213 18 D C 1.165 177.417 176.300 -0.080 0.000 1.130 18 D CA -0.089 53.858 54.000 -0.088 0.000 0.834 18 D CB -0.445 40.322 40.800 -0.055 0.000 0.985 18 D HN 0.235 nan 8.370 nan 0.000 0.504 19 G N 0.774 109.497 108.800 -0.129 0.000 2.233 19 G HA2 -0.342 3.619 3.960 0.000 0.000 0.270 19 G HA3 -0.342 3.619 3.960 0.000 0.000 0.270 19 G C 0.808 175.684 174.900 -0.040 0.000 1.011 19 G CA 0.432 45.467 45.100 -0.108 0.000 0.762 19 G HN 0.364 nan 8.290 nan 0.000 0.511 20 Q N -1.309 118.481 119.800 -0.017 0.000 2.194 20 Q HA 0.169 4.509 4.340 0.000 0.000 0.214 20 Q C 1.542 177.601 176.000 0.097 0.000 0.838 20 Q CA 0.158 55.987 55.803 0.043 0.000 0.972 20 Q CB 0.233 28.994 28.738 0.039 0.000 1.131 20 Q HN 0.747 nan 8.270 nan 0.000 0.498 21 H N -0.522 118.502 119.070 -0.077 0.000 2.387 21 H HA -0.111 4.445 4.556 0.000 0.000 0.299 21 H C 1.317 176.702 175.328 0.096 0.000 1.090 21 H CA 1.761 57.781 56.048 -0.047 0.000 1.332 21 H CB 0.009 29.681 29.762 -0.150 0.000 1.386 21 H HN 0.269 nan 8.280 nan 0.000 0.516 22 W N 0.380 121.759 121.300 0.131 0.000 2.363 22 W HA -0.155 4.505 4.660 0.000 0.000 0.296 22 W C 2.052 178.583 176.519 0.019 0.000 1.212 22 W CA 0.287 57.651 57.345 0.032 0.000 1.260 22 W CB -0.018 29.473 29.460 0.052 0.000 1.131 22 W HN 0.197 nan 8.180 nan 0.000 0.530 23 N N 0.351 119.206 118.700 0.258 0.000 2.188 23 N HA -0.092 4.648 4.740 0.000 0.000 0.184 23 N C 1.599 177.214 175.510 0.176 0.000 1.018 23 N CA 1.127 54.280 53.050 0.170 0.000 0.858 23 N CB -0.578 37.973 38.487 0.106 0.000 0.989 23 N HN 0.230 nan 8.380 nan 0.000 0.426 24 R N 0.375 120.963 120.500 0.148 0.000 2.073 24 R HA -0.086 4.254 4.340 0.000 0.000 0.234 24 R C 2.052 178.441 176.300 0.148 0.000 1.134 24 R CA 0.801 56.992 56.100 0.151 0.000 0.952 24 R CB -0.537 29.868 30.300 0.175 0.000 0.850 24 R HN 0.117 nan 8.270 nan 0.000 0.433 25 L N 0.793 122.066 121.223 0.083 0.000 2.012 25 L HA -0.257 4.083 4.340 0.000 0.000 0.210 25 L C 2.429 179.255 176.870 -0.073 0.000 1.073 25 L CA 2.002 56.734 54.840 -0.181 0.000 0.748 25 L CB -0.963 40.986 42.059 -0.183 0.000 0.891 25 L HN 0.302 nan 8.230 nan 0.000 0.431 26 H N -0.670 118.379 119.070 -0.035 0.000 2.352 26 H HA -0.164 4.392 4.556 0.000 0.000 0.299 26 H C 1.367 176.683 175.328 -0.020 0.000 1.097 26 H CA 2.085 58.115 56.048 -0.031 0.000 1.311 26 H CB 0.002 29.765 29.762 0.001 0.000 1.377 26 H HN 0.410 nan 8.280 nan 0.000 0.504 27 D N -0.042 120.397 120.400 0.065 0.000 2.317 27 D HA -0.072 4.568 4.640 0.000 0.000 0.211 27 D C 1.521 177.807 176.300 -0.023 0.000 0.966 27 D CA 0.744 54.751 54.000 0.010 0.000 0.876 27 D CB -0.282 40.588 40.800 0.116 0.000 0.927 27 D HN 0.419 nan 8.370 nan 0.000 0.519 28 D N -0.301 120.096 120.400 -0.005 0.000 2.354 28 D HA 0.157 4.797 4.640 0.000 0.000 0.209 28 D C 1.924 178.209 176.300 -0.025 0.000 1.015 28 D CA 0.422 54.447 54.000 0.042 0.000 0.867 28 D CB 0.202 41.101 40.800 0.165 0.000 0.933 28 D HN -0.004 nan 8.370 nan 0.000 0.520 29 A N 1.148 123.899 122.820 -0.116 0.000 1.870 29 A HA -0.239 4.081 4.320 0.000 0.000 0.219 29 A C 2.377 179.911 177.584 -0.084 0.000 1.224 29 A CA 2.859 54.816 52.037 -0.133 0.000 0.650 29 A CB -1.308 17.582 19.000 -0.183 0.000 0.836 29 A HN 0.288 nan 8.150 nan 0.000 0.454 30 A N -0.586 122.185 122.820 -0.083 0.000 1.873 30 A HA 0.037 4.358 4.320 0.000 0.000 0.218 30 A C 2.606 180.180 177.584 -0.017 0.000 1.193 30 A CA 3.062 55.068 52.037 -0.051 0.000 0.629 30 A CB -1.349 17.620 19.000 -0.051 0.000 0.826 30 A HN 1.427 nan 8.150 nan 0.000 0.447 31 A N -0.593 122.232 122.820 0.009 0.000 1.908 31 A HA -0.101 4.220 4.320 0.000 0.000 0.218 31 A C 2.207 179.825 177.584 0.057 0.000 1.181 31 A CA 1.689 53.755 52.037 0.048 0.000 0.627 31 A CB -0.647 18.408 19.000 0.091 0.000 0.818 31 A HN 0.505 nan 8.150 nan 0.000 0.445 32 L N -0.943 120.306 121.223 0.044 0.000 2.093 32 L HA -0.133 4.207 4.340 0.000 0.000 0.208 32 L C 2.923 179.783 176.870 -0.015 0.000 1.085 32 L CA 1.388 56.237 54.840 0.015 0.000 0.755 32 L CB -0.398 41.654 42.059 -0.012 0.000 0.904 32 L HN 0.514 nan 8.230 nan 0.000 0.435 33 S N -0.392 115.294 115.700 -0.024 0.000 2.355 33 S HA -0.256 4.214 4.470 0.000 0.000 0.222 33 S C 1.899 176.492 174.600 -0.012 0.000 1.031 33 S CA 1.648 59.832 58.200 -0.028 0.000 0.993 33 S CB -0.290 62.887 63.200 -0.038 0.000 0.859 33 S HN 0.482 nan 8.310 nan 0.000 0.453 34 D N 0.768 121.166 120.400 -0.004 0.000 2.149 34 D HA -0.095 4.545 4.640 0.000 0.000 0.198 34 D C 1.881 178.190 176.300 0.015 0.000 0.990 34 D CA 1.323 55.325 54.000 0.004 0.000 0.839 34 D CB -0.270 40.535 40.800 0.008 0.000 0.948 34 D HN 0.496 nan 8.370 nan 0.000 0.460 35 A N -0.476 122.359 122.820 0.026 0.000 2.119 35 A HA 0.257 4.577 4.320 0.000 0.000 0.217 35 A C 1.845 179.443 177.584 0.024 0.000 1.153 35 A CA 1.684 53.744 52.037 0.038 0.000 0.692 35 A CB -0.104 18.941 19.000 0.074 0.000 0.799 35 A HN 0.483 nan 8.150 nan 0.000 0.458 36 G N -1.939 106.867 108.800 0.011 0.000 2.227 36 G HA2 -0.086 3.874 3.960 0.000 0.000 0.168 36 G HA3 -0.086 3.874 3.960 0.000 0.000 0.168 36 G C -0.135 174.769 174.900 0.007 0.000 1.006 36 G CA -0.115 44.995 45.100 0.016 0.000 0.684 36 G HN 0.195 nan 8.290 nan 0.000 0.489 37 I N 2.896 123.455 120.570 -0.018 0.000 2.416 37 I HA 0.338 4.508 4.170 0.000 0.000 0.288 37 I C 1.768 177.875 176.117 -0.018 0.000 1.051 37 I CA 1.022 62.307 61.300 -0.025 0.000 1.375 37 I CB 0.838 38.799 38.000 -0.065 0.000 1.407 37 I HN 0.277 nan 8.210 nan 0.000 0.516 38 T N 1.893 116.449 114.554 0.003 0.000 2.971 38 T HA 0.519 4.869 4.350 0.000 0.000 0.252 38 T C 0.485 175.152 174.700 -0.055 0.000 1.022 38 T CA -0.046 62.047 62.100 -0.012 0.000 0.980 38 T CB 0.565 69.442 68.868 0.016 0.000 1.044 38 T HN 0.617 nan 8.240 nan 0.000 0.501 39 A N 1.109 123.884 122.820 -0.076 0.000 2.486 39 A HA 0.719 5.039 4.320 0.000 0.000 0.300 39 A C -1.387 176.076 177.584 -0.202 0.000 1.048 39 A CA -0.811 51.074 52.037 -0.254 0.000 0.696 39 A CB 1.279 20.035 19.000 -0.408 0.000 1.278 39 A HN 0.270 nan 8.150 nan 0.000 0.405 40 I N 1.835 122.262 120.570 -0.239 0.000 2.406 40 I HA 0.283 4.454 4.170 0.000 0.000 0.290 40 I C -1.105 175.080 176.117 0.114 0.000 0.999 40 I CA -0.326 60.955 61.300 -0.032 0.000 1.124 40 I CB 1.558 39.523 38.000 -0.058 0.000 1.289 40 I HN 0.884 nan 8.210 nan 0.000 0.441 41 W N 10.153 131.529 121.300 0.126 0.000 2.311 41 W HA 0.538 5.198 4.660 0.000 0.000 0.317 41 W C -0.497 176.235 176.519 0.355 0.000 1.065 41 W CA -1.634 55.886 57.345 0.291 0.000 1.364 41 W CB 0.174 29.867 29.460 0.388 0.000 1.233 41 W HN 0.390 nan 8.180 nan 0.000 0.409 42 I N 6.332 127.256 120.570 0.591 0.000 2.612 42 I HA 0.593 4.763 4.170 0.000 0.000 0.295 42 I C -1.841 174.464 176.117 0.313 0.000 1.011 42 I CA -2.462 59.069 61.300 0.386 0.000 1.326 42 I CB 1.179 39.370 38.000 0.319 0.000 1.427 42 I HN 0.209 nan 8.210 nan 0.000 0.537 43 P HA 0.281 nan 4.420 nan 0.000 0.275 43 P C -2.659 174.451 177.300 -0.316 0.000 1.266 43 P CA -1.643 61.002 63.100 -0.759 0.000 0.793 43 P CB -0.606 29.881 31.700 -2.023 0.000 1.074 44 P HA -0.024 nan 4.420 nan 0.000 0.260 44 P C 0.288 177.253 177.300 -0.559 0.000 1.185 44 P CA 0.826 63.556 63.100 -0.618 0.000 0.763 44 P CB -0.290 31.018 31.700 -0.655 0.000 0.776 45 A N 3.624 126.136 122.820 -0.513 0.000 2.307 45 A HA 0.133 4.453 4.320 0.000 0.000 0.218 45 A C 0.087 177.704 177.584 0.056 0.000 1.228 45 A CA 0.258 52.327 52.037 0.052 0.000 0.857 45 A CB -0.766 18.389 19.000 0.258 0.000 0.897 45 A HN 0.546 nan 8.150 nan 0.000 0.495 46 Y N -2.409 118.033 120.300 0.237 0.000 2.519 46 Y HA 0.693 5.244 4.550 0.000 0.000 0.324 46 Y C 0.323 176.311 175.900 0.146 0.000 1.214 46 Y CA -2.744 55.469 58.100 0.188 0.000 1.260 46 Y CB 0.320 38.817 38.460 0.062 0.000 1.311 46 Y HN -0.116 nan 8.280 nan 0.000 0.505 47 K N 1.194 121.822 120.400 0.379 0.000 2.430 47 K HA 0.320 4.640 4.320 0.000 0.000 0.280 47 K C 0.093 176.879 176.600 0.310 0.000 1.063 47 K CA 0.534 57.010 56.287 0.316 0.000 1.071 47 K CB -0.243 32.499 32.500 0.403 0.000 0.899 47 K HN 0.950 nan 8.250 nan 0.000 0.473 48 G N 2.616 111.525 108.800 0.182 0.000 2.568 48 G HA2 0.037 3.997 3.960 0.000 0.000 0.293 48 G HA3 0.037 3.997 3.960 0.000 0.000 0.293 48 G C 0.623 175.593 174.900 0.116 0.000 1.347 48 G CA -0.574 44.617 45.100 0.151 0.000 1.039 48 G HN 0.826 nan 8.290 nan 0.000 0.523 49 N N -1.195 117.551 118.700 0.076 0.000 2.184 49 N HA -0.155 4.585 4.740 0.000 0.000 0.190 49 N C 0.788 176.250 175.510 -0.081 0.000 1.011 49 N CA 1.518 54.565 53.050 -0.006 0.000 0.867 49 N CB 0.004 38.478 38.487 -0.022 0.000 0.993 49 N HN 0.527 nan 8.380 nan 0.000 0.433 50 S N -2.382 113.275 115.700 -0.072 0.000 2.656 50 S HA 0.094 4.564 4.470 0.000 0.000 0.273 50 S C 0.373 174.914 174.600 -0.098 0.000 1.168 50 S CA -0.873 57.271 58.200 -0.094 0.000 0.817 50 S CB 1.704 64.840 63.200 -0.106 0.000 1.146 50 S HN 0.167 nan 8.310 nan 0.000 0.475 51 Q N 0.229 119.967 119.800 -0.104 0.000 2.084 51 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 51 Q C 1.909 177.784 176.000 -0.208 0.000 0.978 51 Q CA 1.785 57.510 55.803 -0.130 0.000 0.844 51 Q CB -0.587 28.085 28.738 -0.109 0.000 0.898 51 Q HN 0.922 nan 8.270 nan 0.000 0.426 52 A N 0.448 123.149 122.820 -0.198 0.000 2.235 52 A HA -0.037 4.283 4.320 0.000 0.000 0.208 52 A C 0.160 177.564 177.584 -0.300 0.000 1.172 52 A CA 0.238 52.125 52.037 -0.250 0.000 0.786 52 A CB -0.346 18.544 19.000 -0.184 0.000 0.804 52 A HN 0.481 nan 8.150 nan 0.000 0.479 53 D N -1.120 119.127 120.400 -0.256 0.000 2.424 53 D HA 0.223 4.863 4.640 0.000 0.000 0.244 53 D C 1.125 177.202 176.300 -0.372 0.000 1.134 53 D CA 0.093 53.943 54.000 -0.250 0.000 0.881 53 D CB 0.998 41.717 40.800 -0.135 0.000 1.191 53 D HN -0.072 nan 8.370 nan 0.000 0.445 54 V N 2.902 122.551 119.914 -0.442 0.000 2.759 54 V HA 0.102 4.222 4.120 0.000 0.000 0.256 54 V C 1.815 177.705 176.094 -0.341 0.000 1.080 54 V CA 1.694 63.704 62.300 -0.483 0.000 1.101 54 V CB -0.581 30.793 31.823 -0.749 0.000 0.698 54 V HN 0.998 nan 8.190 nan 0.000 0.477 55 G N -1.987 106.633 108.800 -0.300 0.000 2.551 55 G HA2 -0.228 3.733 3.960 0.000 0.000 0.186 55 G HA3 -0.228 3.733 3.960 0.000 0.000 0.186 55 G C 0.524 175.218 174.900 -0.344 0.000 1.002 55 G CA 0.143 45.030 45.100 -0.354 0.000 0.723 55 G HN 0.386 nan 8.290 nan 0.000 0.481 56 Y N 1.254 121.618 120.300 0.107 0.000 2.475 56 Y HA 0.329 4.879 4.550 0.000 0.000 0.289 56 Y C 2.445 178.483 175.900 0.231 0.000 1.121 56 Y CA 0.913 59.132 58.100 0.199 0.000 1.257 56 Y CB 0.143 38.762 38.460 0.265 0.000 1.026 56 Y HN 0.305 nan 8.280 nan 0.000 0.555 57 G N 0.658 109.604 108.800 0.242 0.000 3.541 57 G HA2 0.377 4.337 3.960 0.000 0.000 0.253 57 G HA3 0.377 4.337 3.960 0.000 0.000 0.253 57 G C 0.023 175.028 174.900 0.177 0.000 1.017 57 G CA -0.135 45.088 45.100 0.205 0.000 1.832 57 G HN 0.328 nan 8.290 nan 0.000 0.649 58 A N 0.664 123.577 122.820 0.156 0.000 2.537 58 A HA 0.282 4.602 4.320 0.000 0.000 0.260 58 A C 0.639 178.287 177.584 0.106 0.000 1.082 58 A CA -0.120 51.977 52.037 0.100 0.000 0.765 58 A CB 0.229 19.191 19.000 -0.062 0.000 1.019 58 A HN 0.685 nan 8.150 nan 0.000 0.507 59 Y N 2.322 122.676 120.300 0.090 0.000 2.222 59 Y HA 0.187 4.737 4.550 0.000 0.000 0.290 59 Y C 0.389 176.410 175.900 0.201 0.000 1.123 59 Y CA 1.370 59.599 58.100 0.215 0.000 1.120 59 Y CB 0.438 39.045 38.460 0.246 0.000 1.060 59 Y HN 0.569 nan 8.280 nan 0.000 0.508 60 D N 0.168 120.527 120.400 -0.069 0.000 2.440 60 D HA 0.207 4.847 4.640 0.000 0.000 0.252 60 D C 0.368 176.502 176.300 -0.276 0.000 1.180 60 D CA -0.131 53.678 54.000 -0.318 0.000 0.894 60 D CB 0.541 41.220 40.800 -0.203 0.000 1.111 60 D HN 0.341 nan 8.370 nan 0.000 0.544 61 L N 2.560 123.377 121.223 -0.677 0.000 2.351 61 L HA -0.160 4.180 4.340 0.000 0.000 0.220 61 L C 0.915 177.564 176.870 -0.368 0.000 1.127 61 L CA 0.972 55.212 54.840 -1.000 0.000 0.786 61 L CB -0.340 40.479 42.059 -2.067 0.000 0.914 61 L HN 0.524 nan 8.230 nan 0.000 0.443 62 Y N -1.734 118.483 120.300 -0.138 0.000 2.457 62 Y HA 0.089 4.639 4.550 0.000 0.000 0.263 62 Y C 0.751 176.873 175.900 0.370 0.000 1.164 62 Y CA -0.460 57.658 58.100 0.029 0.000 1.274 62 Y CB 0.213 38.535 38.460 -0.231 0.000 1.097 62 Y HN 0.005 nan 8.280 nan 0.000 0.523 63 D N 0.706 121.403 120.400 0.496 0.000 2.443 63 D HA 0.227 4.867 4.640 0.000 0.000 0.221 63 D C -0.385 176.212 176.300 0.494 0.000 1.097 63 D CA -0.092 54.274 54.000 0.610 0.000 0.865 63 D CB 0.424 41.575 40.800 0.586 0.000 1.034 63 D HN 0.186 nan 8.370 nan 0.000 0.511 64 L N 3.225 124.728 121.223 0.467 0.000 3.035 64 L HA 0.401 4.741 4.340 0.000 0.000 0.232 64 L C 1.235 178.274 176.870 0.282 0.000 1.341 64 L CA -0.485 54.593 54.840 0.396 0.000 1.177 64 L CB -0.058 42.238 42.059 0.395 0.000 1.555 64 L HN 0.653 nan 8.230 nan 0.000 0.473 65 G N 0.973 109.921 108.800 0.246 0.000 2.248 65 G HA2 -0.270 3.690 3.960 0.000 0.000 0.252 65 G HA3 -0.270 3.690 3.960 0.000 0.000 0.252 65 G C 0.386 175.326 174.900 0.067 0.000 1.085 65 G CA 0.550 45.757 45.100 0.178 0.000 0.845 65 G HN 0.647 nan 8.290 nan 0.000 0.494 66 E N -1.459 118.704 120.200 -0.063 0.000 2.500 66 E HA 0.396 4.746 4.350 0.000 0.000 0.217 66 E C 0.007 176.278 176.600 -0.548 0.000 0.848 66 E CA -0.265 55.915 56.400 -0.366 0.000 1.217 66 E CB 0.481 29.830 29.700 -0.585 0.000 1.217 66 E HN 0.338 nan 8.360 nan 0.000 0.573 67 F N 0.910 120.976 119.950 0.194 0.000 2.538 67 F HA 0.375 4.902 4.527 0.000 0.000 0.325 67 F C 0.236 176.125 175.800 0.148 0.000 1.066 67 F CA -1.384 56.715 58.000 0.165 0.000 0.946 67 F CB 0.978 40.090 39.000 0.186 0.000 1.199 67 F HN -0.205 nan 8.300 nan 0.000 0.473 68 N N 2.783 121.667 118.700 0.307 0.000 2.508 68 N HA 0.142 4.882 4.740 0.000 0.000 0.253 68 N C -1.264 174.362 175.510 0.194 0.000 1.145 68 N CA 0.141 53.308 53.050 0.194 0.000 0.973 68 N CB -0.156 38.415 38.487 0.141 0.000 1.305 68 N HN 0.656 nan 8.380 nan 0.000 0.506 69 Q N 1.684 121.596 119.800 0.187 0.000 2.389 69 Q HA 0.336 4.676 4.340 0.000 0.000 0.277 69 Q C -0.264 175.744 176.000 0.014 0.000 1.082 69 Q CA -0.944 54.943 55.803 0.140 0.000 0.810 69 Q CB 1.767 30.689 28.738 0.307 0.000 1.374 69 Q HN 0.186 nan 8.270 nan 0.000 0.422 70 K N -0.107 120.217 120.400 -0.126 0.000 3.160 70 K HA -0.233 4.087 4.320 0.000 0.000 0.280 70 K C 0.431 176.976 176.600 -0.091 0.000 1.154 70 K CA 1.090 57.267 56.287 -0.183 0.000 0.822 70 K CB -1.958 30.402 32.500 -0.232 0.000 1.239 70 K HN 1.256 nan 8.250 nan 0.000 0.489 71 G N -0.980 107.792 108.800 -0.047 0.000 2.132 71 G HA2 -0.281 3.679 3.960 0.000 0.000 0.234 71 G HA3 -0.281 3.679 3.960 0.000 0.000 0.234 71 G C 0.036 174.927 174.900 -0.014 0.000 0.989 71 G CA 1.125 46.206 45.100 -0.031 0.000 0.676 71 G HN 0.936 nan 8.290 nan 0.000 0.522 72 T N -2.793 111.768 114.554 0.011 0.000 2.907 72 T HA 0.450 4.800 4.350 0.000 0.000 0.344 72 T C 0.962 175.699 174.700 0.063 0.000 1.675 72 T CA 0.464 62.577 62.100 0.022 0.000 1.076 72 T CB 1.212 70.077 68.868 -0.005 0.000 1.483 72 T HN 0.616 nan 8.240 nan 0.000 0.487 73 V N 2.860 122.811 119.914 0.062 0.000 2.326 73 V HA 0.212 4.332 4.120 0.000 0.000 0.238 73 V C 1.587 177.732 176.094 0.085 0.000 1.038 73 V CA 1.354 63.704 62.300 0.085 0.000 1.032 73 V CB -0.620 31.241 31.823 0.063 0.000 0.675 73 V HN 0.898 nan 8.190 nan 0.000 0.467 74 R N 1.735 122.272 120.500 0.061 0.000 2.707 74 R HA 0.275 4.615 4.340 0.000 0.000 0.270 74 R C 0.285 176.613 176.300 0.047 0.000 1.083 74 R CA 0.304 56.447 56.100 0.072 0.000 1.182 74 R CB 0.171 30.503 30.300 0.052 0.000 1.084 74 R HN 0.443 nan 8.270 nan 0.000 0.528 75 T N -2.008 112.582 114.554 0.060 0.000 2.852 75 T HA 0.139 4.489 4.350 0.000 0.000 0.281 75 T C 1.049 175.621 174.700 -0.213 0.000 0.993 75 T CA -0.691 61.392 62.100 -0.029 0.000 0.933 75 T CB 0.968 69.872 68.868 0.061 0.000 1.187 75 T HN 0.778 nan 8.240 nan 0.000 0.559 76 K N -0.694 119.430 120.400 -0.461 0.000 2.152 76 K HA -0.168 4.152 4.320 0.000 0.000 0.206 76 K C 1.518 177.645 176.600 -0.788 0.000 1.048 76 K CA 1.551 57.416 56.287 -0.703 0.000 0.933 76 K CB -0.364 31.503 32.500 -1.056 0.000 0.721 76 K HN 0.703 nan 8.250 nan 0.000 0.447 77 Y N -0.671 119.361 120.300 -0.447 0.000 2.490 77 Y HA 0.242 4.792 4.550 0.000 0.000 0.285 77 Y C 1.322 176.799 175.900 -0.705 0.000 1.117 77 Y CA 0.496 58.122 58.100 -0.790 0.000 1.262 77 Y CB 0.550 38.083 38.460 -1.546 0.000 1.043 77 Y HN 0.272 nan 8.280 nan 0.000 0.553 78 G N -0.711 107.989 108.800 -0.167 0.000 2.340 78 G HA2 0.196 4.156 3.960 0.000 0.000 0.282 78 G HA3 0.196 4.156 3.960 0.000 0.000 0.282 78 G C -0.725 174.384 174.900 0.347 0.000 1.312 78 G CA -0.607 44.577 45.100 0.141 0.000 0.942 78 G HN 0.184 nan 8.290 nan 0.000 0.495 79 T N -1.591 113.157 114.554 0.323 0.000 2.874 79 T HA 0.529 4.879 4.350 0.000 0.000 0.281 79 T C 1.418 176.242 174.700 0.207 0.000 0.994 79 T CA 0.602 62.833 62.100 0.219 0.000 1.015 79 T CB 1.854 70.793 68.868 0.117 0.000 1.028 79 T HN 0.877 nan 8.240 nan 0.000 0.523 80 K N 0.464 120.931 120.400 0.112 0.000 2.097 80 K HA -0.066 4.254 4.320 0.000 0.000 0.206 80 K C 2.359 178.946 176.600 -0.022 0.000 1.049 80 K CA 1.312 57.625 56.287 0.044 0.000 0.933 80 K CB -0.828 31.706 32.500 0.057 0.000 0.717 80 K HN 0.730 nan 8.250 nan 0.000 0.442 81 A N 0.797 123.620 122.820 0.005 0.000 1.969 81 A HA -0.169 4.151 4.320 0.000 0.000 0.218 81 A C 1.897 179.460 177.584 -0.035 0.000 1.169 81 A CA 1.338 53.365 52.037 -0.016 0.000 0.635 81 A CB -0.348 18.653 19.000 0.001 0.000 0.810 81 A HN 0.488 nan 8.150 nan 0.000 0.445 82 Q N -1.137 118.669 119.800 0.011 0.000 2.187 82 Q HA -0.014 4.326 4.340 0.000 0.000 0.199 82 Q C 1.980 177.947 176.000 -0.055 0.000 0.957 82 Q CA 1.078 56.903 55.803 0.036 0.000 0.857 82 Q CB -0.235 28.610 28.738 0.178 0.000 0.929 82 Q HN 0.591 nan 8.270 nan 0.000 0.453 83 L N 1.173 122.218 121.223 -0.297 0.000 2.093 83 L HA -0.116 4.224 4.340 0.000 0.000 0.208 83 L C 1.634 178.233 176.870 -0.453 0.000 1.085 83 L CA 1.817 56.170 54.840 -0.811 0.000 0.755 83 L CB -0.136 41.167 42.059 -1.260 0.000 0.904 83 L HN 0.082 nan 8.230 nan 0.000 0.435 84 E N -0.611 119.423 120.200 -0.276 0.000 2.152 84 E HA -0.210 4.140 4.350 0.000 0.000 0.192 84 E C 2.207 178.729 176.600 -0.129 0.000 0.983 84 E CA 0.856 57.139 56.400 -0.194 0.000 0.818 84 E CB -0.138 29.479 29.700 -0.138 0.000 0.758 84 E HN 0.473 nan 8.360 nan 0.000 0.467 85 R N 1.031 121.470 120.500 -0.102 0.000 2.075 85 R HA -0.078 4.262 4.340 0.000 0.000 0.232 85 R C 2.228 178.551 176.300 0.040 0.000 1.126 85 R CA 1.239 57.308 56.100 -0.052 0.000 0.963 85 R CB -0.151 30.081 30.300 -0.114 0.000 0.858 85 R HN 0.131 nan 8.270 nan 0.000 0.435 86 A N 1.264 124.084 122.820 0.000 0.000 1.858 86 A HA -0.137 4.183 4.320 0.000 0.000 0.216 86 A C 2.180 179.736 177.584 -0.046 0.000 1.190 86 A CA 1.538 53.605 52.037 0.050 0.000 0.617 86 A CB -0.610 18.395 19.000 0.009 0.000 0.827 86 A HN 0.369 nan 8.150 nan 0.000 0.443 87 I N -0.178 120.310 120.570 -0.136 0.000 2.208 87 I HA -0.249 3.921 4.170 0.000 0.000 0.245 87 I C 2.659 178.715 176.117 -0.102 0.000 1.097 87 I CA 1.175 62.386 61.300 -0.148 0.000 1.363 87 I CB -0.623 37.258 38.000 -0.199 0.000 1.051 87 I HN 0.427 nan 8.210 nan 0.000 0.413 88 G N -0.536 108.221 108.800 -0.071 0.000 2.422 88 G HA2 -0.286 3.674 3.960 0.000 0.000 0.218 88 G HA3 -0.286 3.674 3.960 0.000 0.000 0.218 88 G C 1.770 176.647 174.900 -0.037 0.000 1.146 88 G CA 1.036 46.107 45.100 -0.048 0.000 0.769 88 G HN 0.380 nan 8.290 nan 0.000 0.547 89 S N -0.120 115.573 115.700 -0.012 0.000 2.368 89 S HA 0.008 4.478 4.470 0.000 0.000 0.225 89 S C 2.445 176.979 174.600 -0.111 0.000 1.030 89 S CA 0.962 59.116 58.200 -0.077 0.000 0.999 89 S CB -0.260 62.832 63.200 -0.179 0.000 0.844 89 S HN 0.338 nan 8.310 nan 0.000 0.459 90 L N 1.020 122.178 121.223 -0.109 0.000 2.046 90 L HA -0.114 4.226 4.340 0.000 0.000 0.208 90 L C 2.767 179.578 176.870 -0.098 0.000 1.077 90 L CA 1.163 55.932 54.840 -0.118 0.000 0.747 90 L CB -0.454 41.527 42.059 -0.130 0.000 0.896 90 L HN 0.207 nan 8.230 nan 0.000 0.432 91 K N 0.213 120.560 120.400 -0.088 0.000 2.002 91 K HA -0.139 4.181 4.320 0.000 0.000 0.209 91 K C 2.268 178.829 176.600 -0.065 0.000 1.048 91 K CA 1.848 58.089 56.287 -0.076 0.000 0.930 91 K CB -0.741 31.715 32.500 -0.073 0.000 0.714 91 K HN 0.419 nan 8.250 nan 0.000 0.438 92 S N 1.093 116.755 115.700 -0.062 0.000 2.500 92 S HA -0.056 4.414 4.470 0.000 0.000 0.239 92 S C 1.203 175.769 174.600 -0.058 0.000 0.989 92 S CA 0.847 59.015 58.200 -0.054 0.000 0.951 92 S CB -0.146 63.025 63.200 -0.049 0.000 0.759 92 S HN 0.187 nan 8.310 nan 0.000 0.523 93 N N 1.372 120.031 118.700 -0.068 0.000 2.238 93 N HA 0.096 4.836 4.740 0.000 0.000 0.222 93 N C -0.932 174.542 175.510 -0.060 0.000 1.133 93 N CA 0.250 53.261 53.050 -0.066 0.000 0.854 93 N CB 0.230 38.669 38.487 -0.080 0.000 1.041 93 N HN 0.318 nan 8.380 nan 0.000 0.510 94 D N 0.853 121.218 120.400 -0.058 0.000 2.723 94 D HA -0.181 4.459 4.640 0.000 0.000 0.236 94 D C -0.263 176.002 176.300 -0.059 0.000 1.138 94 D CA 0.776 54.745 54.000 -0.052 0.000 0.676 94 D CB -1.292 39.482 40.800 -0.043 0.000 1.069 94 D HN 0.427 nan 8.370 nan 0.000 0.430 95 I N 0.739 121.264 120.570 -0.076 0.000 2.389 95 I HA 0.152 4.322 4.170 0.000 0.000 0.288 95 I C 0.699 176.748 176.117 -0.114 0.000 0.999 95 I CA -0.728 60.516 61.300 -0.094 0.000 1.129 95 I CB 1.391 39.327 38.000 -0.106 0.000 1.288 95 I HN -0.201 nan 8.210 nan 0.000 0.444 96 N N 4.957 123.575 118.700 -0.137 0.000 2.508 96 N HA 0.246 4.986 4.740 0.000 0.000 0.264 96 N C -0.640 174.702 175.510 -0.280 0.000 1.216 96 N CA -0.110 52.844 53.050 -0.160 0.000 0.943 96 N CB 1.990 40.406 38.487 -0.117 0.000 1.113 96 N HN 0.215 nan 8.380 nan 0.000 0.447 97 V N 3.108 122.924 119.914 -0.164 0.000 2.384 97 V HA 0.293 4.414 4.120 0.000 0.000 0.287 97 V C -0.993 175.170 176.094 0.114 0.000 1.020 97 V CA -0.700 61.533 62.300 -0.112 0.000 0.850 97 V CB 0.475 32.249 31.823 -0.083 0.000 0.987 97 V HN 0.413 nan 8.190 nan 0.000 0.436 98 Y N 2.377 122.759 120.300 0.137 0.000 2.335 98 Y HA 0.722 5.272 4.550 0.000 0.000 0.338 98 Y C 0.766 176.829 175.900 0.273 0.000 0.977 98 Y CA -1.494 56.711 58.100 0.175 0.000 1.114 98 Y CB 1.819 40.422 38.460 0.237 0.000 1.182 98 Y HN 0.701 nan 8.280 nan 0.000 0.463 99 G N 2.094 111.162 108.800 0.446 0.000 2.377 99 G HA2 0.205 4.165 3.960 0.000 0.000 0.299 99 G HA3 0.205 4.165 3.960 0.000 0.000 0.299 99 G C -0.716 174.549 174.900 0.609 0.000 1.150 99 G CA -0.487 44.923 45.100 0.516 0.000 0.847 99 G HN 0.519 nan 8.290 nan 0.000 0.501 100 D N 0.725 121.478 120.400 0.588 0.000 2.350 100 D HA 0.273 4.913 4.640 0.000 0.000 0.249 100 D C -0.472 176.136 176.300 0.512 0.000 1.119 100 D CA 0.068 54.377 54.000 0.515 0.000 0.886 100 D CB 1.690 42.809 40.800 0.532 0.000 1.195 100 D HN -0.009 nan 8.370 nan 0.000 0.437 101 V N 4.452 124.600 119.914 0.389 0.000 2.407 101 V HA 0.210 4.330 4.120 0.000 0.000 0.291 101 V C -0.090 176.068 176.094 0.107 0.000 1.018 101 V CA -0.797 61.678 62.300 0.292 0.000 0.842 101 V CB 1.894 33.788 31.823 0.118 0.000 0.996 101 V HN 0.346 nan 8.190 nan 0.000 0.426 102 V N 6.985 126.917 119.914 0.030 0.000 2.293 102 V HA 0.379 4.499 4.120 0.000 0.000 0.275 102 V C 0.445 176.308 176.094 -0.384 0.000 1.021 102 V CA -0.068 62.163 62.300 -0.114 0.000 0.815 102 V CB 1.124 32.936 31.823 -0.020 0.000 1.025 102 V HN 0.910 nan 8.190 nan 0.000 0.448 103 M N 2.041 121.449 119.600 -0.321 0.000 2.347 103 M HA 0.197 4.677 4.480 0.000 0.000 0.302 103 M C 1.511 177.735 176.300 -0.127 0.000 1.051 103 M CA 0.001 55.123 55.300 -0.297 0.000 0.988 103 M CB 0.168 32.646 32.600 -0.204 0.000 1.475 103 M HN 0.640 nan 8.290 nan 0.000 0.530 104 N N 1.342 119.924 118.700 -0.197 0.000 2.171 104 N HA -0.076 4.664 4.740 0.000 0.000 0.184 104 N C 0.481 175.987 175.510 -0.008 0.000 1.021 104 N CA 1.182 54.218 53.050 -0.024 0.000 0.854 104 N CB 0.366 38.883 38.487 0.051 0.000 0.994 104 N HN 0.459 nan 8.380 nan 0.000 0.426 105 H N -3.155 115.875 119.070 -0.066 0.000 2.947 105 H HA 0.556 5.112 4.556 0.000 0.000 0.290 105 H C -1.017 174.217 175.328 -0.156 0.000 1.430 105 H CA -0.936 55.074 56.048 -0.064 0.000 1.189 105 H CB 0.845 30.561 29.762 -0.076 0.000 1.875 105 H HN -0.169 nan 8.280 nan 0.000 0.568 106 K N 0.288 120.701 120.400 0.022 0.000 2.508 106 K HA 0.603 4.923 4.320 0.000 0.000 0.260 106 K C -1.031 175.683 176.600 0.189 0.000 0.949 106 K CA -0.713 55.516 56.287 -0.097 0.000 0.834 106 K CB 3.319 35.506 32.500 -0.521 0.000 1.365 106 K HN 0.474 nan 8.250 nan 0.000 0.437 107 M N -0.345 119.435 119.600 0.301 0.000 2.618 107 M HA 0.354 4.834 4.480 0.000 0.000 0.281 107 M C -0.037 176.485 176.300 0.370 0.000 1.267 107 M CA -0.271 55.201 55.300 0.288 0.000 0.845 107 M CB 2.341 35.045 32.600 0.173 0.000 1.732 107 M HN 0.888 nan 8.290 nan 0.000 0.461 108 G N 1.079 109.953 108.800 0.124 0.000 2.149 108 G HA2 -0.081 3.879 3.960 0.000 0.000 0.235 108 G HA3 -0.081 3.879 3.960 0.000 0.000 0.235 108 G C 0.056 174.887 174.900 -0.115 0.000 1.018 108 G CA 0.083 45.177 45.100 -0.009 0.000 0.728 108 G HN 1.154 nan 8.290 nan 0.000 0.508 109 A N -0.203 122.396 122.820 -0.368 0.000 2.561 109 A HA 0.403 4.723 4.320 0.000 0.000 0.234 109 A C 1.392 178.809 177.584 -0.278 0.000 1.055 109 A CA 1.028 52.485 52.037 -0.967 0.000 0.756 109 A CB 0.303 18.930 19.000 -0.621 0.000 0.986 109 A HN 0.342 nan 8.150 nan 0.000 0.505 110 D N 0.173 120.379 120.400 -0.322 0.000 2.183 110 D HA 0.088 4.728 4.640 0.000 0.000 0.203 110 D C 0.216 176.692 176.300 0.293 0.000 0.969 110 D CA 1.809 55.832 54.000 0.038 0.000 0.842 110 D CB -0.061 40.806 40.800 0.110 0.000 0.957 110 D HN 0.608 nan 8.370 nan 0.000 0.484 111 F N -1.173 118.809 119.950 0.053 0.000 2.686 111 F HA 0.419 4.946 4.527 0.000 0.000 0.311 111 F C -0.428 175.142 175.800 -0.385 0.000 1.128 111 F CA -1.336 56.572 58.000 -0.154 0.000 0.946 111 F CB 0.802 39.729 39.000 -0.121 0.000 1.336 111 F HN -0.334 nan 8.300 nan 0.000 0.457 112 T N -1.551 112.730 114.554 -0.454 0.000 2.927 112 T HA 0.731 5.081 4.350 0.000 0.000 0.281 112 T C -0.919 173.717 174.700 -0.107 0.000 0.998 112 T CA -0.675 61.107 62.100 -0.531 0.000 1.019 112 T CB 1.968 70.321 68.868 -0.858 0.000 1.061 112 T HN 0.765 nan 8.240 nan 0.000 0.518 113 E N -0.302 119.801 120.200 -0.162 0.000 2.314 113 E HA 0.555 4.905 4.350 0.000 0.000 0.272 113 E C -0.980 175.430 176.600 -0.317 0.000 0.884 113 E CA -1.280 55.054 56.400 -0.110 0.000 0.753 113 E CB 2.270 32.002 29.700 0.053 0.000 1.213 113 E HN 0.907 nan 8.360 nan 0.000 0.432 114 A N 1.921 124.537 122.820 -0.341 0.000 2.454 114 A HA 0.451 4.771 4.320 0.000 0.000 0.260 114 A C -0.394 176.769 177.584 -0.701 0.000 1.106 114 A CA -0.116 51.665 52.037 -0.426 0.000 0.780 114 A CB 0.157 18.969 19.000 -0.314 0.000 1.044 114 A HN 0.280 nan 8.150 nan 0.000 0.498 115 V N 3.914 123.379 119.914 -0.748 0.000 2.668 115 V HA 0.205 4.325 4.120 0.000 0.000 0.304 115 V C -0.510 175.136 176.094 -0.747 0.000 1.071 115 V CA -0.897 60.766 62.300 -1.061 0.000 0.894 115 V CB 1.864 32.872 31.823 -1.358 0.000 1.008 115 V HN 0.923 nan 8.190 nan 0.000 0.425 116 Q N 2.972 122.394 119.800 -0.630 0.000 2.262 116 Q HA 0.594 4.934 4.340 0.000 0.000 0.272 116 Q C 0.056 175.868 176.000 -0.312 0.000 1.076 116 Q CA 0.256 55.835 55.803 -0.374 0.000 0.905 116 Q CB 1.622 30.224 28.738 -0.226 0.000 1.182 116 Q HN 0.943 nan 8.270 nan 0.000 0.390 117 A N 2.286 124.920 122.820 -0.309 0.000 2.486 117 A HA 0.828 5.148 4.320 0.000 0.000 0.289 117 A C -0.866 176.687 177.584 -0.051 0.000 1.176 117 A CA -0.635 51.329 52.037 -0.122 0.000 0.757 117 A CB 1.671 20.593 19.000 -0.128 0.000 1.337 117 A HN 0.481 nan 8.150 nan 0.000 0.423 118 V N -1.665 118.332 119.914 0.137 0.000 2.760 118 V HA 0.617 4.737 4.120 0.000 0.000 0.309 118 V C -0.758 175.450 176.094 0.189 0.000 1.077 118 V CA -0.764 61.635 62.300 0.166 0.000 0.910 118 V CB 1.215 33.108 31.823 0.116 0.000 1.008 118 V HN 0.918 nan 8.190 nan 0.000 0.424 119 Q N 2.212 122.078 119.800 0.111 0.000 2.327 119 Q HA 0.633 4.973 4.340 0.000 0.000 0.254 119 Q C -0.145 175.863 176.000 0.014 0.000 0.952 119 Q CA -0.370 55.377 55.803 -0.093 0.000 0.884 119 Q CB 1.958 30.563 28.738 -0.222 0.000 1.224 119 Q HN 1.055 nan 8.270 nan 0.000 0.422 120 V N -0.630 119.300 119.914 0.027 0.000 2.960 120 V HA 0.459 4.579 4.120 0.000 0.000 0.315 120 V C -0.319 175.806 176.094 0.052 0.000 1.087 120 V CA -1.335 61.031 62.300 0.110 0.000 0.982 120 V CB 1.945 33.928 31.823 0.266 0.000 1.039 120 V HN 0.692 nan 8.190 nan 0.000 0.437 121 N N 3.121 121.858 118.700 0.061 0.000 2.452 121 N HA 0.240 4.980 4.740 0.000 0.000 0.266 121 N C -1.751 173.751 175.510 -0.013 0.000 1.209 121 N CA -1.472 51.594 53.050 0.026 0.000 0.929 121 N CB 1.368 39.878 38.487 0.039 0.000 1.063 121 N HN 0.475 nan 8.380 nan 0.000 0.472 122 P HA -0.125 nan 4.420 nan 0.000 0.216 122 P C 0.847 178.084 177.300 -0.106 0.000 1.150 122 P CA 1.747 64.811 63.100 -0.061 0.000 0.843 122 P CB 0.080 31.756 31.700 -0.039 0.000 0.787 123 T N -5.978 108.529 114.554 -0.079 0.000 3.144 123 T HA 0.142 4.492 4.350 0.000 0.000 0.249 123 T C 0.484 175.131 174.700 -0.089 0.000 1.089 123 T CA -0.078 61.964 62.100 -0.096 0.000 0.989 123 T CB -0.797 68.038 68.868 -0.056 0.000 0.992 123 T HN -0.086 nan 8.240 nan 0.000 0.540 124 N N 0.167 118.819 118.700 -0.078 0.000 3.153 124 N HA 0.249 4.989 4.740 0.000 0.000 0.208 124 N C 0.221 175.717 175.510 -0.024 0.000 1.462 124 N CA -0.396 52.629 53.050 -0.042 0.000 0.754 124 N CB 0.682 39.199 38.487 0.050 0.000 1.558 124 N HN -0.110 nan 8.380 nan 0.000 0.605 125 R N 0.285 120.678 120.500 -0.180 0.000 2.249 125 R HA 0.053 4.393 4.340 0.000 0.000 0.230 125 R C 0.986 177.408 176.300 0.203 0.000 1.121 125 R CA 1.308 57.331 56.100 -0.128 0.000 0.997 125 R CB -0.265 29.646 30.300 -0.649 0.000 0.867 125 R HN 0.648 nan 8.270 nan 0.000 0.465 126 W N 0.555 121.951 121.300 0.160 0.000 2.465 126 W HA -0.052 4.608 4.660 0.000 0.000 0.268 126 W C 0.830 177.443 176.519 0.156 0.000 1.242 126 W CA -0.270 57.190 57.345 0.191 0.000 1.248 126 W CB 0.222 29.737 29.460 0.091 0.000 1.118 126 W HN 0.115 nan 8.180 nan 0.000 0.587 127 Q N 1.813 121.822 119.800 0.348 0.000 2.347 127 Q HA 0.099 4.440 4.340 0.000 0.000 0.262 127 Q C -0.624 175.482 176.000 0.178 0.000 0.980 127 Q CA -0.649 55.287 55.803 0.220 0.000 0.867 127 Q CB 0.939 29.771 28.738 0.157 0.000 1.242 127 Q HN -0.085 nan 8.270 nan 0.000 0.453 128 D N 4.493 124.985 120.400 0.153 0.000 2.339 128 D HA 0.160 4.800 4.640 0.000 0.000 0.245 128 D C 0.826 177.174 176.300 0.080 0.000 1.115 128 D CA 0.051 54.123 54.000 0.120 0.000 0.917 128 D CB 1.100 41.963 40.800 0.105 0.000 1.192 128 D HN 0.732 nan 8.370 nan 0.000 0.428 129 I N -2.419 118.185 120.570 0.056 0.000 3.994 129 I HA 0.227 4.397 4.170 0.000 0.000 0.323 129 I C -0.255 175.869 176.117 0.011 0.000 1.501 129 I CA -0.440 60.878 61.300 0.030 0.000 1.112 129 I CB 0.400 38.412 38.000 0.019 0.000 1.254 129 I HN 0.193 nan 8.210 nan 0.000 0.495 130 S N -0.251 115.469 115.700 0.033 0.000 2.587 130 S HA 0.740 5.210 4.470 0.000 0.000 0.269 130 S C -0.204 174.445 174.600 0.081 0.000 1.154 130 S CA -0.201 58.020 58.200 0.036 0.000 0.824 130 S CB 1.153 64.380 63.200 0.046 0.000 1.118 130 S HN 0.317 nan 8.310 nan 0.000 0.462 131 G N 0.352 109.198 108.800 0.077 0.000 2.562 131 G HA2 0.632 4.592 3.960 0.000 0.000 0.275 131 G HA3 0.632 4.592 3.960 0.000 0.000 0.275 131 G C 0.282 175.302 174.900 0.200 0.000 1.196 131 G CA -0.433 44.726 45.100 0.097 0.000 0.908 131 G HN 1.426 nan 8.290 nan 0.000 0.524 132 A N 0.046 122.955 122.820 0.149 0.000 2.440 132 A HA 0.634 4.954 4.320 0.000 0.000 0.251 132 A C -0.494 177.220 177.584 0.217 0.000 1.089 132 A CA -0.004 52.117 52.037 0.139 0.000 0.779 132 A CB -0.291 18.742 19.000 0.055 0.000 1.022 132 A HN 1.377 nan 8.150 nan 0.000 0.492 133 Y N -1.306 118.988 120.300 -0.011 0.000 2.638 133 Y HA 0.666 5.216 4.550 0.000 0.000 0.335 133 Y C -0.247 175.618 175.900 -0.058 0.000 1.155 133 Y CA -1.095 56.991 58.100 -0.024 0.000 1.046 133 Y CB 0.644 39.100 38.460 -0.007 0.000 1.303 133 Y HN 0.397 nan 8.280 nan 0.000 0.460 134 T N 4.293 118.837 114.554 -0.017 0.000 2.794 134 T HA 0.550 4.900 4.350 0.000 0.000 0.296 134 T C -0.048 174.518 174.700 -0.223 0.000 0.949 134 T CA -0.293 61.687 62.100 -0.199 0.000 1.101 134 T CB 0.027 68.804 68.868 -0.151 0.000 0.905 134 T HN 0.682 nan 8.240 nan 0.000 0.516 135 I N -0.693 119.616 120.570 -0.435 0.000 3.067 135 I HA 0.685 4.855 4.170 0.000 0.000 0.312 135 I C -1.033 174.824 176.117 -0.433 0.000 1.073 135 I CA -1.147 59.884 61.300 -0.448 0.000 1.016 135 I CB 2.259 39.815 38.000 -0.741 0.000 1.227 135 I HN 0.231 nan 8.210 nan 0.000 0.456 136 D N 3.464 123.629 120.400 -0.392 0.000 2.460 136 D HA 0.545 5.185 4.640 0.000 0.000 0.232 136 D C -0.501 175.609 176.300 -0.316 0.000 1.079 136 D CA 0.037 53.821 54.000 -0.361 0.000 0.864 136 D CB 1.906 42.504 40.800 -0.337 0.000 1.048 136 D HN 0.763 nan 8.370 nan 0.000 0.523 137 A N 2.178 124.837 122.820 -0.268 0.000 2.312 137 A HA 0.444 4.764 4.320 0.000 0.000 0.328 137 A C -0.667 176.858 177.584 -0.097 0.000 1.158 137 A CA -0.711 51.286 52.037 -0.067 0.000 0.821 137 A CB 0.655 19.705 19.000 0.083 0.000 1.170 137 A HN 0.519 nan 8.150 nan 0.000 0.490 138 W N 1.950 123.273 121.300 0.039 0.000 2.247 138 W HA 0.358 5.018 4.660 0.000 0.000 0.394 138 W C 1.000 177.456 176.519 -0.105 0.000 0.939 138 W CA 0.524 57.838 57.345 -0.052 0.000 1.548 138 W CB 0.580 30.018 29.460 -0.036 0.000 1.610 138 W HN 0.804 nan 8.180 nan 0.000 0.336 139 T N -1.495 113.072 114.554 0.021 0.000 3.004 139 T HA 0.246 4.596 4.350 0.000 0.000 0.266 139 T C 0.823 175.630 174.700 0.179 0.000 0.986 139 T CA -0.157 62.051 62.100 0.180 0.000 0.902 139 T CB 0.227 69.323 68.868 0.380 0.000 1.118 139 T HN 0.213 nan 8.240 nan 0.000 0.522 140 G N 1.325 109.825 108.800 -0.500 0.000 2.338 140 G HA2 0.533 4.493 3.960 0.000 0.000 0.295 140 G HA3 0.533 4.493 3.960 0.000 0.000 0.295 140 G C -1.163 173.226 174.900 -0.852 0.000 1.132 140 G CA -0.445 44.010 45.100 -1.074 0.000 0.922 140 G HN 0.312 nan 8.290 nan 0.000 0.427 141 F N 1.545 121.288 119.950 -0.345 0.000 2.460 141 F HA 0.370 4.897 4.527 0.000 0.000 0.341 141 F C 0.345 175.819 175.800 -0.542 0.000 1.130 141 F CA -1.179 56.564 58.000 -0.428 0.000 0.962 141 F CB 2.523 41.211 39.000 -0.519 0.000 1.171 141 F HN 0.365 nan 8.300 nan 0.000 0.436 142 D N 2.400 122.637 120.400 -0.272 0.000 2.449 142 D HA 0.101 4.741 4.640 0.000 0.000 0.210 142 D C 0.229 176.501 176.300 -0.047 0.000 1.094 142 D CA 0.390 54.330 54.000 -0.101 0.000 0.846 142 D CB 0.169 41.051 40.800 0.136 0.000 1.003 142 D HN 0.383 nan 8.370 nan 0.000 0.504 143 F N 0.953 121.090 119.950 0.312 0.000 3.027 143 F HA -0.234 4.293 4.527 0.000 0.000 0.276 143 F C 0.225 176.128 175.800 0.170 0.000 0.967 143 F CA -0.158 58.006 58.000 0.273 0.000 0.929 143 F CB -2.865 36.214 39.000 0.132 0.000 0.873 143 F HN -0.286 nan 8.300 nan 0.000 0.787 144 S N 0.360 116.222 115.700 0.271 0.000 2.525 144 S HA 0.428 4.898 4.470 0.000 0.000 0.285 144 S C 1.296 175.998 174.600 0.169 0.000 1.283 144 S CA 0.473 58.775 58.200 0.170 0.000 1.072 144 S CB 1.153 64.433 63.200 0.133 0.000 0.867 144 S HN 1.320 nan 8.310 nan 0.000 0.492 145 G N 3.319 112.181 108.800 0.103 0.000 2.481 145 G HA2 -0.221 3.739 3.960 0.000 0.000 0.200 145 G HA3 -0.221 3.739 3.960 0.000 0.000 0.200 145 G C 0.860 175.736 174.900 -0.040 0.000 1.012 145 G CA 0.152 45.320 45.100 0.113 0.000 0.676 145 G HN 0.603 nan 8.290 nan 0.000 0.488 146 R N 1.318 121.667 120.500 -0.251 0.000 2.161 146 R HA 0.163 4.503 4.340 0.000 0.000 0.213 146 R C 1.349 177.293 176.300 -0.593 0.000 1.055 146 R CA 1.189 56.719 56.100 -0.949 0.000 0.996 146 R CB -0.462 29.411 30.300 -0.711 0.000 0.901 146 R HN 0.499 nan 8.270 nan 0.000 0.456 147 N N 0.730 119.287 118.700 -0.239 0.000 2.740 147 N HA -0.241 4.499 4.740 0.000 0.000 0.248 147 N C -1.036 174.368 175.510 -0.176 0.000 1.062 147 N CA 0.411 53.375 53.050 -0.143 0.000 0.704 147 N CB -0.872 37.552 38.487 -0.104 0.000 0.968 147 N HN 0.523 nan 8.380 nan 0.000 0.547 148 N N -2.701 115.894 118.700 -0.176 0.000 2.693 148 N HA -0.221 4.519 4.740 0.000 0.000 0.249 148 N C 0.094 175.433 175.510 -0.285 0.000 1.119 148 N CA 1.256 54.197 53.050 -0.182 0.000 0.717 148 N CB -1.426 37.004 38.487 -0.096 0.000 1.071 148 N HN 0.642 nan 8.380 nan 0.000 0.555 149 A N -0.589 121.968 122.820 -0.437 0.000 2.462 149 A HA 0.379 4.699 4.320 0.000 0.000 0.243 149 A C 0.966 178.154 177.584 -0.660 0.000 1.076 149 A CA 0.483 52.162 52.037 -0.597 0.000 0.773 149 A CB 0.111 18.638 19.000 -0.787 0.000 1.010 149 A HN 0.357 nan 8.150 nan 0.000 0.493 150 Y N -0.141 120.029 120.300 -0.216 0.000 3.300 150 Y HA -0.261 4.289 4.550 0.000 0.000 0.453 150 Y C 0.885 176.414 175.900 -0.618 0.000 1.180 150 Y CA 1.467 59.309 58.100 -0.428 0.000 2.522 150 Y CB -1.877 36.102 38.460 -0.801 0.000 0.854 150 Y HN 1.435 nan 8.280 nan 0.000 0.511 151 S N -0.283 115.085 115.700 -0.554 0.000 2.552 151 S HA 0.540 5.010 4.470 0.000 0.000 0.272 151 S C -0.692 173.737 174.600 -0.285 0.000 1.150 151 S CA -0.130 57.770 58.200 -0.499 0.000 0.849 151 S CB 1.676 64.276 63.200 -1.000 0.000 1.113 151 S HN 0.361 nan 8.310 nan 0.000 0.458 152 D N 1.763 122.104 120.400 -0.098 0.000 2.513 152 D HA 0.159 4.799 4.640 0.000 0.000 0.222 152 D C 0.009 176.350 176.300 0.069 0.000 1.210 152 D CA -0.297 53.694 54.000 -0.014 0.000 0.825 152 D CB -0.331 40.455 40.800 -0.022 0.000 1.037 152 D HN 0.311 nan 8.370 nan 0.000 0.506 153 F N 2.375 122.292 119.950 -0.056 0.000 2.529 153 F HA 0.303 4.830 4.527 0.000 0.000 0.365 153 F C 0.095 175.938 175.800 0.072 0.000 1.102 153 F CA 0.010 57.969 58.000 -0.069 0.000 1.271 153 F CB 0.617 39.523 39.000 -0.157 0.000 1.120 153 F HN -0.327 nan 8.300 nan 0.000 0.579 154 K N 5.801 125.949 120.400 -0.420 0.000 2.324 154 K HA 0.220 4.540 4.320 0.000 0.000 0.253 154 K C -1.554 174.851 176.600 -0.325 0.000 0.932 154 K CA -0.499 55.738 56.287 -0.083 0.000 0.799 154 K CB 1.489 33.960 32.500 -0.049 0.000 1.154 154 K HN 0.619 nan 8.250 nan 0.000 0.425 155 W N 1.440 122.760 121.300 0.032 0.000 2.438 155 W HA 0.454 5.114 4.660 0.000 0.000 0.324 155 W C 0.531 177.121 176.519 0.119 0.000 1.119 155 W CA -0.289 57.134 57.345 0.129 0.000 1.221 155 W CB 0.917 30.416 29.460 0.065 0.000 1.253 155 W HN 0.309 nan 8.180 nan 0.000 0.555 156 R N 1.877 122.445 120.500 0.114 0.000 2.855 156 R HA 0.271 4.611 4.340 0.000 0.000 0.266 156 R C 0.984 177.161 176.300 -0.204 0.000 1.034 156 R CA -0.996 54.933 56.100 -0.284 0.000 0.944 156 R CB 0.356 30.044 30.300 -1.021 0.000 1.219 156 R HN 0.702 nan 8.270 nan 0.000 0.474 157 W N 2.023 123.322 121.300 -0.002 0.000 2.331 157 W HA -0.232 4.428 4.660 0.000 0.000 0.291 157 W C 0.794 177.476 176.519 0.271 0.000 1.214 157 W CA 1.369 58.893 57.345 0.298 0.000 1.228 157 W CB -0.686 28.814 29.460 0.067 0.000 1.135 157 W HN 0.592 nan 8.180 nan 0.000 0.537 158 F N 0.421 119.709 119.950 -1.104 0.000 2.641 158 F HA 0.115 4.642 4.527 0.000 0.000 0.298 158 F C 1.697 177.143 175.800 -0.590 0.000 1.146 158 F CA 1.197 58.505 58.000 -1.152 0.000 1.464 158 F CB -1.719 36.407 39.000 -1.457 0.000 1.101 158 F HN -0.047 nan 8.300 nan 0.000 0.585 159 H N -1.402 117.369 119.070 -0.498 0.000 2.551 159 H HA 0.229 4.785 4.556 0.000 0.000 0.266 159 H C -0.175 174.974 175.328 -0.298 0.000 0.964 159 H CA -0.168 55.614 56.048 -0.443 0.000 1.180 159 H CB 0.160 29.548 29.762 -0.623 0.000 1.408 159 H HN 0.204 nan 8.280 nan 0.000 0.563 160 F N 0.408 120.569 119.950 0.352 0.000 2.572 160 F HA 0.206 4.733 4.527 0.000 0.000 0.342 160 F C 0.918 176.838 175.800 0.200 0.000 1.064 160 F CA -1.101 57.065 58.000 0.277 0.000 1.008 160 F CB 0.864 40.035 39.000 0.284 0.000 1.303 160 F HN 0.024 nan 8.300 nan 0.000 0.492 161 N N -1.120 117.618 118.700 0.064 0.000 2.116 161 N HA 0.400 5.140 4.740 0.000 0.000 0.230 161 N C -0.452 174.641 175.510 -0.695 0.000 1.326 161 N CA 0.098 53.021 53.050 -0.211 0.000 0.867 161 N CB 1.141 39.664 38.487 0.059 0.000 1.174 161 N HN 0.787 nan 8.380 nan 0.000 0.506 162 G N -0.393 107.946 108.800 -0.768 0.000 2.519 162 G HA2 0.561 4.521 3.960 0.000 0.000 0.292 162 G HA3 0.561 4.521 3.960 0.000 0.000 0.292 162 G C -1.719 173.149 174.900 -0.053 0.000 1.507 162 G CA -0.177 44.697 45.100 -0.377 0.000 0.806 162 G HN 0.706 nan 8.290 nan 0.000 0.523 163 V N -2.265 117.649 119.914 -0.000 0.000 3.232 163 V HA 0.848 4.968 4.120 0.000 0.000 0.303 163 V C -0.843 175.291 176.094 0.068 0.000 1.311 163 V CA -0.300 62.108 62.300 0.180 0.000 1.061 163 V CB 2.265 34.269 31.823 0.302 0.000 1.085 163 V HN 0.923 nan 8.190 nan 0.000 0.447 164 D N -0.556 120.010 120.400 0.277 0.000 2.538 164 D HA 0.218 4.858 4.640 0.000 0.000 0.231 164 D C -0.231 176.398 176.300 0.549 0.000 1.229 164 D CA 0.005 54.181 54.000 0.293 0.000 0.828 164 D CB 0.589 41.566 40.800 0.295 0.000 1.035 164 D HN 0.820 nan 8.370 nan 0.000 0.495 165 W N 1.675 123.209 121.300 0.390 0.000 3.615 165 W HA 0.328 4.988 4.660 0.000 0.000 0.319 165 W C -2.271 174.412 176.519 0.273 0.000 1.172 165 W CA -0.716 56.840 57.345 0.351 0.000 1.240 165 W CB 1.776 31.375 29.460 0.232 0.000 1.313 165 W HN -0.146 nan 8.180 nan 0.000 0.487 166 D N 3.791 123.908 120.400 -0.473 0.000 2.349 166 D HA 0.136 4.777 4.640 0.000 0.000 0.232 166 D C 0.657 176.474 176.300 -0.805 0.000 1.071 166 D CA -0.022 53.643 54.000 -0.559 0.000 0.832 166 D CB 2.035 42.616 40.800 -0.364 0.000 1.086 166 D HN 0.345 nan 8.370 nan 0.000 0.504 167 Q N 3.369 122.915 119.800 -0.423 0.000 2.378 167 Q HA -0.011 4.329 4.340 0.000 0.000 0.205 167 Q C 1.762 177.647 176.000 -0.192 0.000 0.954 167 Q CA 1.140 56.868 55.803 -0.124 0.000 0.901 167 Q CB 0.061 28.893 28.738 0.156 0.000 0.981 167 Q HN 0.594 nan 8.270 nan 0.000 0.483 168 R N -1.110 119.199 120.500 -0.319 0.000 2.075 168 R HA -0.144 4.196 4.340 0.000 0.000 0.230 168 R C 0.934 176.937 176.300 -0.496 0.000 1.140 168 R CA 1.847 57.672 56.100 -0.459 0.000 0.928 168 R CB -0.218 29.692 30.300 -0.649 0.000 0.834 168 R HN 0.373 nan 8.270 nan 0.000 0.429 169 Y N 0.782 121.021 120.300 -0.102 0.000 2.468 169 Y HA 0.243 4.793 4.550 0.000 0.000 0.268 169 Y C -0.174 175.655 175.900 -0.119 0.000 1.177 169 Y CA -0.312 57.752 58.100 -0.060 0.000 1.265 169 Y CB 0.302 38.764 38.460 0.004 0.000 1.103 169 Y HN 0.161 nan 8.280 nan 0.000 0.522 170 Q N 1.494 121.174 119.800 -0.200 0.000 2.448 170 Q HA -0.223 4.118 4.340 0.000 0.000 0.356 170 Q C -0.909 174.805 176.000 -0.478 0.000 1.430 170 Q CA 0.828 56.365 55.803 -0.443 0.000 1.011 170 Q CB -1.492 27.302 28.738 0.093 0.000 1.203 170 Q HN 0.615 nan 8.270 nan 0.000 0.351 171 E N 0.324 120.101 120.200 -0.705 0.000 2.416 171 E HA 0.485 4.835 4.350 0.000 0.000 0.273 171 E C -0.922 175.629 176.600 -0.082 0.000 0.935 171 E CA -1.042 55.246 56.400 -0.188 0.000 0.784 171 E CB 1.325 31.088 29.700 0.106 0.000 1.301 171 E HN 0.219 nan 8.360 nan 0.000 0.454 172 N N 0.864 119.588 118.700 0.040 0.000 2.421 172 N HA 0.396 5.136 4.740 0.000 0.000 0.285 172 N C -1.218 174.070 175.510 -0.371 0.000 1.027 172 N CA -0.295 52.831 53.050 0.127 0.000 0.918 172 N CB 0.817 39.415 38.487 0.186 0.000 1.152 172 N HN 0.318 nan 8.380 nan 0.000 0.485 173 H N 0.538 119.602 119.070 -0.010 0.000 3.003 173 H HA 0.283 4.839 4.556 0.000 0.000 0.327 173 H C -1.009 174.067 175.328 -0.420 0.000 1.353 173 H CA -0.581 55.237 56.048 -0.383 0.000 1.142 173 H CB 1.159 30.329 29.762 -0.987 0.000 1.864 173 H HN 0.261 nan 8.280 nan 0.000 0.529 174 I N 2.761 123.176 120.570 -0.258 0.000 2.291 174 I HA 0.160 4.330 4.170 0.000 0.000 0.290 174 I C -0.226 175.754 176.117 -0.228 0.000 1.050 174 I CA -0.008 61.153 61.300 -0.231 0.000 1.245 174 I CB -1.000 36.927 38.000 -0.122 0.000 1.405 174 I HN 0.260 nan 8.210 nan 0.000 0.478 175 F N 5.533 125.469 119.950 -0.024 0.000 2.420 175 F HA 0.480 5.008 4.527 0.000 0.000 0.342 175 F C 0.897 176.733 175.800 0.060 0.000 1.113 175 F CA -0.617 57.414 58.000 0.053 0.000 1.059 175 F CB 1.239 40.282 39.000 0.071 0.000 1.128 175 F HN 0.349 nan 8.300 nan 0.000 0.475 176 R N 3.640 124.268 120.500 0.214 0.000 2.338 176 R HA 0.394 4.734 4.340 0.000 0.000 0.317 176 R C -1.131 175.218 176.300 0.082 0.000 0.968 176 R CA -0.750 55.230 56.100 -0.201 0.000 0.849 176 R CB 0.580 30.565 30.300 -0.525 0.000 1.128 176 R HN 0.378 nan 8.270 nan 0.000 0.448 177 F N 2.420 122.331 119.950 -0.065 0.000 2.578 177 F HA 0.111 4.638 4.527 0.000 0.000 0.376 177 F C 1.120 176.917 175.800 -0.005 0.000 1.085 177 F CA -0.742 57.275 58.000 0.028 0.000 1.260 177 F CB 0.135 39.256 39.000 0.202 0.000 1.095 177 F HN 0.586 nan 8.300 nan 0.000 0.573 178 A N 4.045 126.967 122.820 0.171 0.000 2.498 178 A HA 0.158 4.478 4.320 0.000 0.000 0.239 178 A C 0.994 178.658 177.584 0.134 0.000 1.068 178 A CA -0.105 51.989 52.037 0.095 0.000 0.766 178 A CB -0.195 18.828 19.000 0.039 0.000 1.003 178 A HN 0.878 nan 8.150 nan 0.000 0.497 179 N N -0.851 117.906 118.700 0.095 0.000 2.741 179 N HA -0.156 4.584 4.740 0.000 0.000 0.250 179 N C 0.040 175.631 175.510 0.135 0.000 1.115 179 N CA 1.688 54.801 53.050 0.105 0.000 0.724 179 N CB -1.800 36.756 38.487 0.115 0.000 1.090 179 N HN 1.266 nan 8.380 nan 0.000 0.558 180 T N -2.804 111.820 114.554 0.116 0.000 2.900 180 T HA 0.657 5.007 4.350 0.000 0.000 0.295 180 T C -0.233 174.466 174.700 -0.001 0.000 1.044 180 T CA -0.857 61.312 62.100 0.116 0.000 0.995 180 T CB 2.279 71.276 68.868 0.215 0.000 1.072 180 T HN 0.084 nan 8.240 nan 0.000 0.473 181 N N 0.258 118.980 118.700 0.036 0.000 2.472 181 N HA 0.531 5.271 4.740 0.000 0.000 0.289 181 N C -0.882 174.696 175.510 0.113 0.000 1.156 181 N CA -0.875 52.208 53.050 0.055 0.000 0.940 181 N CB 1.072 39.658 38.487 0.165 0.000 1.200 181 N HN 0.665 nan 8.380 nan 0.000 0.511 182 W N 0.545 122.008 121.300 0.271 0.000 2.150 182 W HA 0.184 4.844 4.660 0.000 0.000 0.341 182 W C 0.892 177.603 176.519 0.321 0.000 1.276 182 W CA -0.634 56.854 57.345 0.239 0.000 1.238 182 W CB 0.387 29.920 29.460 0.121 0.000 1.128 182 W HN 0.306 nan 8.180 nan 0.000 0.581 183 N N 1.131 120.199 118.700 0.613 0.000 2.340 183 N HA 0.050 4.790 4.740 0.000 0.000 0.236 183 N C -0.814 175.074 175.510 0.630 0.000 1.296 183 N CA 0.456 53.827 53.050 0.536 0.000 0.896 183 N CB 0.601 39.344 38.487 0.426 0.000 1.127 183 N HN 0.453 nan 8.380 nan 0.000 0.442 184 W N 0.710 122.222 121.300 0.354 0.000 3.645 184 W HA 0.159 4.819 4.660 0.000 0.000 0.285 184 W C -1.050 175.696 176.519 0.380 0.000 1.266 184 W CA -0.475 57.034 57.345 0.273 0.000 1.212 184 W CB 1.143 30.794 29.460 0.318 0.000 1.306 184 W HN 0.441 nan 8.180 nan 0.000 0.552 185 R N 3.280 123.604 120.500 -0.294 0.000 2.490 185 R HA 0.562 4.902 4.340 0.000 0.000 0.278 185 R C -0.409 175.009 176.300 -1.470 0.000 1.069 185 R CA 0.004 55.198 56.100 -1.511 0.000 1.080 185 R CB 1.326 30.783 30.300 -1.404 0.000 1.030 185 R HN 0.326 nan 8.270 nan 0.000 0.491 186 V N -0.464 118.626 119.914 -1.373 0.000 3.182 186 V HA 0.370 4.490 4.120 0.000 0.000 0.308 186 V C -0.702 175.125 176.094 -0.444 0.000 1.240 186 V CA -1.232 60.599 62.300 -0.781 0.000 1.063 186 V CB 1.615 33.325 31.823 -0.188 0.000 1.076 186 V HN 0.848 nan 8.190 nan 0.000 0.446 187 D N 0.282 120.672 120.400 -0.017 0.000 2.478 187 D HA 0.099 4.739 4.640 0.000 0.000 0.234 187 D C 0.742 177.094 176.300 0.088 0.000 1.154 187 D CA 0.660 54.721 54.000 0.102 0.000 0.874 187 D CB 0.882 41.688 40.800 0.009 0.000 1.198 187 D HN 0.761 nan 8.370 nan 0.000 0.455 188 E N 1.203 121.468 120.200 0.108 0.000 2.444 188 E HA 0.014 4.364 4.350 0.000 0.000 0.191 188 E C -0.187 176.458 176.600 0.074 0.000 1.041 188 E CA -0.121 56.367 56.400 0.146 0.000 0.883 188 E CB 0.263 30.094 29.700 0.217 0.000 1.024 188 E HN 0.511 nan 8.360 nan 0.000 0.470 189 E N 1.571 121.811 120.200 0.066 0.000 2.384 189 E HA -0.053 4.297 4.350 0.000 0.000 0.266 189 E C -0.039 176.412 176.600 -0.249 0.000 1.012 189 E CA 0.091 56.468 56.400 -0.038 0.000 0.901 189 E CB 0.254 29.975 29.700 0.035 0.000 0.967 189 E HN 0.039 nan 8.360 nan 0.000 0.435 190 N N 2.788 121.352 118.700 -0.227 0.000 2.829 190 N HA -0.226 4.514 4.740 0.000 0.000 0.250 190 N C 0.629 175.991 175.510 -0.246 0.000 1.090 190 N CA 0.973 53.851 53.050 -0.285 0.000 0.781 190 N CB -1.538 36.636 38.487 -0.521 0.000 1.124 190 N HN 0.883 nan 8.380 nan 0.000 0.559 191 G N 0.602 109.326 108.800 -0.127 0.000 3.909 191 G HA2 -0.360 3.600 3.960 0.000 0.000 0.218 191 G HA3 -0.360 3.600 3.960 0.000 0.000 0.218 191 G C -0.190 174.527 174.900 -0.304 0.000 1.404 191 G CA 0.612 45.660 45.100 -0.086 0.000 0.905 191 G HN 0.693 nan 8.290 nan 0.000 0.589 192 N N -0.671 117.644 118.700 -0.641 0.000 2.454 192 N HA 0.405 5.145 4.740 0.000 0.000 0.291 192 N C -1.154 174.101 175.510 -0.425 0.000 1.079 192 N CA -0.508 52.167 53.050 -0.625 0.000 0.893 192 N CB 1.241 38.854 38.487 -1.457 0.000 1.512 192 N HN 0.148 nan 8.380 nan 0.000 0.497 193 Y N 2.498 122.646 120.300 -0.253 0.000 2.683 193 Y HA 0.154 4.704 4.550 0.000 0.000 0.297 193 Y C 1.391 177.257 175.900 -0.057 0.000 1.147 193 Y CA -0.726 57.288 58.100 -0.144 0.000 1.274 193 Y CB -0.241 38.207 38.460 -0.020 0.000 1.143 193 Y HN 0.656 nan 8.280 nan 0.000 0.527 194 D N -0.248 120.149 120.400 -0.005 0.000 2.104 194 D HA -0.244 4.396 4.640 0.000 0.000 0.194 194 D C 0.196 176.517 176.300 0.036 0.000 0.994 194 D CA 1.179 55.217 54.000 0.064 0.000 0.830 194 D CB -0.202 40.687 40.800 0.148 0.000 0.959 194 D HN 0.243 nan 8.370 nan 0.000 0.452 195 Y N 0.190 120.352 120.300 -0.231 0.000 2.336 195 Y HA 0.323 4.873 4.550 0.000 0.000 0.335 195 Y C 0.478 176.315 175.900 -0.105 0.000 1.046 195 Y CA -0.493 57.525 58.100 -0.138 0.000 1.198 195 Y CB 1.060 39.390 38.460 -0.217 0.000 1.182 195 Y HN 0.012 nan 8.280 nan 0.000 0.502 196 L N 6.503 127.110 121.223 -1.028 0.000 2.675 196 L HA 0.490 4.830 4.340 0.000 0.000 0.178 196 L C -0.800 175.555 176.870 -0.858 0.000 1.135 196 L CA 0.915 55.265 54.840 -0.818 0.000 0.855 196 L CB 0.187 41.671 42.059 -0.958 0.000 1.235 196 L HN 0.649 nan 8.230 nan 0.000 0.499 197 L N -4.294 116.298 121.223 -1.051 0.000 2.933 197 L HA 0.771 5.111 4.340 0.000 0.000 0.271 197 L C 0.187 176.785 176.870 -0.454 0.000 1.071 197 L CA -0.587 53.907 54.840 -0.577 0.000 0.938 197 L CB 0.830 42.659 42.059 -0.383 0.000 1.534 197 L HN 0.461 nan 8.230 nan 0.000 0.396 198 G N 0.877 109.627 108.800 -0.083 0.000 2.578 198 G HA2 -0.223 3.737 3.960 0.000 0.000 0.275 198 G HA3 -0.223 3.737 3.960 0.000 0.000 0.275 198 G C -0.229 174.771 174.900 0.166 0.000 1.271 198 G CA 0.063 45.181 45.100 0.031 0.000 0.941 198 G HN 0.983 nan 8.290 nan 0.000 0.564 199 S N 0.817 116.564 115.700 0.078 0.000 2.399 199 S HA 0.400 4.870 4.470 0.000 0.000 0.301 199 S C 0.349 175.010 174.600 0.102 0.000 1.093 199 S CA -0.244 57.889 58.200 -0.112 0.000 1.077 199 S CB 0.908 63.653 63.200 -0.759 0.000 0.980 199 S HN 0.743 nan 8.310 nan 0.000 0.494 200 N N 3.446 122.329 118.700 0.305 0.000 2.420 200 N HA 0.164 4.904 4.740 0.000 0.000 0.262 200 N C -0.332 175.479 175.510 0.502 0.000 1.144 200 N CA -0.109 53.168 53.050 0.378 0.000 0.952 200 N CB 0.201 38.959 38.487 0.452 0.000 1.081 200 N HN 0.515 nan 8.380 nan 0.000 0.480 201 I N 1.707 122.482 120.570 0.341 0.000 2.618 201 I HA -0.023 4.148 4.170 0.000 0.000 0.284 201 I C 0.437 176.540 176.117 -0.024 0.000 1.146 201 I CA 0.239 61.557 61.300 0.029 0.000 1.425 201 I CB 0.421 38.187 38.000 -0.390 0.000 1.383 201 I HN 0.499 nan 8.210 nan 0.000 0.562 202 D N 6.595 126.972 120.400 -0.038 0.000 2.443 202 D HA 0.159 4.799 4.640 0.000 0.000 0.221 202 D C 0.383 176.623 176.300 -0.100 0.000 1.097 202 D CA -0.354 53.684 54.000 0.063 0.000 0.865 202 D CB 0.634 41.526 40.800 0.154 0.000 1.034 202 D HN 0.274 nan 8.370 nan 0.000 0.511 203 F N 1.431 121.402 119.950 0.035 0.000 2.802 203 F HA -0.086 4.441 4.527 0.000 0.000 0.300 203 F C 2.602 178.504 175.800 0.169 0.000 1.168 203 F CA 0.287 58.263 58.000 -0.041 0.000 1.433 203 F CB -0.092 38.717 39.000 -0.318 0.000 1.115 203 F HN 0.351 nan 8.300 nan 0.000 0.582 204 S N -1.469 114.358 115.700 0.211 0.000 2.442 204 S HA -0.152 4.318 4.470 0.000 0.000 0.236 204 S C 0.679 175.291 174.600 0.020 0.000 1.007 204 S CA 0.574 58.849 58.200 0.125 0.000 0.965 204 S CB -0.757 62.423 63.200 -0.032 0.000 0.773 204 S HN 0.292 nan 8.310 nan 0.000 0.504 205 H N 2.693 121.861 119.070 0.164 0.000 2.878 205 H HA 0.244 4.801 4.556 0.000 0.000 0.290 205 H C -1.852 173.543 175.328 0.112 0.000 1.065 205 H CA -1.992 54.124 56.048 0.115 0.000 1.477 205 H CB 0.620 30.440 29.762 0.096 0.000 1.484 205 H HN 0.202 nan 8.280 nan 0.000 0.504 206 P HA -0.151 nan 4.420 nan 0.000 0.217 206 P C 1.031 178.416 177.300 0.142 0.000 1.148 206 P CA 1.270 64.478 63.100 0.180 0.000 0.828 206 P CB 0.485 32.270 31.700 0.142 0.000 0.783 207 E N -1.108 119.175 120.200 0.138 0.000 2.150 207 E HA -0.097 4.254 4.350 0.000 0.000 0.193 207 E C 1.931 178.511 176.600 -0.033 0.000 0.985 207 E CA 0.788 57.248 56.400 0.100 0.000 0.814 207 E CB -0.931 28.861 29.700 0.154 0.000 0.752 207 E HN 0.061 nan 8.360 nan 0.000 0.466 208 V N 0.883 120.756 119.914 -0.070 0.000 2.283 208 V HA -0.269 3.851 4.120 0.000 0.000 0.243 208 V C 2.181 178.182 176.094 -0.154 0.000 1.039 208 V CA 1.769 63.897 62.300 -0.286 0.000 1.016 208 V CB -0.562 31.101 31.823 -0.267 0.000 0.650 208 V HN 0.247 nan 8.190 nan 0.000 0.449 209 Q N -0.121 119.684 119.800 0.008 0.000 2.096 209 Q HA -0.293 4.047 4.340 0.000 0.000 0.208 209 Q C 2.011 178.162 176.000 0.251 0.000 0.993 209 Q CA 2.160 58.081 55.803 0.196 0.000 0.862 209 Q CB -0.307 28.640 28.738 0.350 0.000 0.915 209 Q HN 0.638 nan 8.270 nan 0.000 0.416 210 D N -0.171 120.298 120.400 0.114 0.000 2.149 210 D HA -0.133 4.507 4.640 0.000 0.000 0.201 210 D C 1.777 178.089 176.300 0.020 0.000 0.972 210 D CA 0.970 55.005 54.000 0.059 0.000 0.835 210 D CB -0.143 40.689 40.800 0.053 0.000 0.966 210 D HN 0.202 nan 8.370 nan 0.000 0.476 211 E N 1.067 121.201 120.200 -0.111 0.000 2.051 211 E HA -0.103 4.247 4.350 0.000 0.000 0.192 211 E C 2.093 178.715 176.600 0.037 0.000 0.991 211 E CA 0.856 57.108 56.400 -0.247 0.000 0.799 211 E CB -0.452 28.645 29.700 -1.005 0.000 0.748 211 E HN 0.229 nan 8.360 nan 0.000 0.449 212 L N -0.026 121.285 121.223 0.146 0.000 2.217 212 L HA -0.077 4.263 4.340 0.000 0.000 0.211 212 L C 2.447 179.732 176.870 0.691 0.000 1.107 212 L CA 1.035 56.146 54.840 0.452 0.000 0.783 212 L CB -0.243 42.086 42.059 0.450 0.000 0.919 212 L HN 0.099 nan 8.230 nan 0.000 0.442 213 K N -0.176 120.479 120.400 0.424 0.000 2.031 213 K HA -0.128 4.192 4.320 0.000 0.000 0.205 213 K C 1.675 178.333 176.600 0.097 0.000 1.049 213 K CA 1.270 57.603 56.287 0.078 0.000 0.939 213 K CB -0.047 32.186 32.500 -0.445 0.000 0.717 213 K HN 0.224 nan 8.250 nan 0.000 0.438 214 D N 0.060 120.551 120.400 0.151 0.000 2.117 214 D HA -0.182 4.459 4.640 0.000 0.000 0.197 214 D C 1.573 178.049 176.300 0.293 0.000 0.987 214 D CA 0.830 54.961 54.000 0.217 0.000 0.829 214 D CB -0.253 40.666 40.800 0.199 0.000 0.961 214 D HN 0.294 nan 8.370 nan 0.000 0.460 215 W N 2.296 123.726 121.300 0.217 0.000 2.354 215 W HA -0.098 4.563 4.660 0.000 0.000 0.315 215 W C 2.344 179.037 176.519 0.290 0.000 1.206 215 W CA 2.344 59.783 57.345 0.157 0.000 1.290 215 W CB -0.819 28.549 29.460 -0.153 0.000 1.152 215 W HN -0.028 nan 8.180 nan 0.000 0.489 216 G N -0.198 108.516 108.800 -0.143 0.000 2.469 216 G HA2 -0.418 3.542 3.960 0.000 0.000 0.219 216 G HA3 -0.418 3.542 3.960 0.000 0.000 0.219 216 G C 1.652 176.381 174.900 -0.284 0.000 1.150 216 G CA 1.676 46.576 45.100 -0.334 0.000 0.763 216 G HN 0.396 nan 8.290 nan 0.000 0.561 217 S N -0.763 114.869 115.700 -0.114 0.000 2.368 217 S HA -0.130 4.340 4.470 0.000 0.000 0.224 217 S C 1.972 176.551 174.600 -0.035 0.000 1.029 217 S CA 1.505 59.668 58.200 -0.061 0.000 0.988 217 S CB -0.413 62.804 63.200 0.029 0.000 0.838 217 S HN 0.622 nan 8.310 nan 0.000 0.462 218 W N 1.081 122.315 121.300 -0.109 0.000 2.358 218 W HA -0.089 4.571 4.660 0.000 0.000 0.303 218 W C 1.747 178.212 176.519 -0.091 0.000 1.208 218 W CA 1.384 58.703 57.345 -0.043 0.000 1.274 218 W CB -0.729 28.803 29.460 0.120 0.000 1.138 218 W HN 0.373 nan 8.180 nan 0.000 0.515 219 F N 1.496 121.176 119.950 -0.450 0.000 2.075 219 F HA -0.185 4.342 4.527 0.000 0.000 0.297 219 F C 2.421 177.955 175.800 -0.443 0.000 1.113 219 F CA 2.615 60.270 58.000 -0.575 0.000 1.218 219 F CB -1.055 37.494 39.000 -0.752 0.000 0.984 219 F HN -0.246 nan 8.300 nan 0.000 0.472 220 T N 0.164 114.540 114.554 -0.296 0.000 2.720 220 T HA -0.198 4.153 4.350 0.000 0.000 0.268 220 T C 1.397 175.903 174.700 -0.323 0.000 1.037 220 T CA 1.804 63.750 62.100 -0.256 0.000 1.144 220 T CB -0.401 68.435 68.868 -0.054 0.000 0.864 220 T HN 0.243 nan 8.240 nan 0.000 0.444 221 D N 0.384 120.583 120.400 -0.335 0.000 2.162 221 D HA -0.009 4.631 4.640 0.000 0.000 0.203 221 D C 2.187 178.244 176.300 -0.405 0.000 0.967 221 D CA 0.679 54.493 54.000 -0.309 0.000 0.840 221 D CB -0.306 40.351 40.800 -0.239 0.000 0.972 221 D HN 0.325 nan 8.370 nan 0.000 0.482 222 E N 0.297 120.110 120.200 -0.645 0.000 2.110 222 E HA -0.039 4.311 4.350 0.000 0.000 0.193 222 E C 1.732 178.045 176.600 -0.478 0.000 0.988 222 E CA 0.827 56.815 56.400 -0.687 0.000 0.804 222 E CB -0.041 28.923 29.700 -1.226 0.000 0.745 222 E HN 0.239 nan 8.360 nan 0.000 0.458 223 L N -0.390 120.527 121.223 -0.509 0.000 2.616 223 L HA 0.149 4.489 4.340 0.000 0.000 0.229 223 L C 0.251 176.929 176.870 -0.319 0.000 1.110 223 L CA 0.253 54.844 54.840 -0.415 0.000 0.884 223 L CB 0.158 41.903 42.059 -0.524 0.000 1.115 223 L HN 0.104 nan 8.230 nan 0.000 0.481 224 D N 1.544 121.763 120.400 -0.302 0.000 2.718 224 D HA -0.177 4.463 4.640 0.000 0.000 0.242 224 D C -0.080 176.103 176.300 -0.195 0.000 1.123 224 D CA 0.443 54.312 54.000 -0.218 0.000 0.690 224 D CB -1.067 39.630 40.800 -0.173 0.000 1.059 224 D HN 0.133 nan 8.370 nan 0.000 0.429 225 L N 0.081 121.169 121.223 -0.225 0.000 2.476 225 L HA 0.218 4.559 4.340 0.000 0.000 0.264 225 L C 1.706 178.496 176.870 -0.132 0.000 1.224 225 L CA -0.102 54.633 54.840 -0.175 0.000 0.821 225 L CB 0.314 42.251 42.059 -0.204 0.000 1.101 225 L HN 0.013 nan 8.230 nan 0.000 0.488 226 D N 0.164 120.546 120.400 -0.030 0.000 2.469 226 D HA 0.286 4.926 4.640 0.000 0.000 0.213 226 D C 0.501 176.808 176.300 0.011 0.000 1.135 226 D CA 0.359 54.382 54.000 0.039 0.000 0.834 226 D CB 1.622 42.522 40.800 0.167 0.000 1.009 226 D HN 0.733 nan 8.370 nan 0.000 0.507 227 G N -0.055 108.634 108.800 -0.185 0.000 2.317 227 G HA2 0.370 4.330 3.960 0.000 0.000 0.293 227 G HA3 0.370 4.330 3.960 0.000 0.000 0.293 227 G C -2.119 172.451 174.900 -0.550 0.000 1.287 227 G CA -0.902 43.876 45.100 -0.538 0.000 0.850 227 G HN 0.051 nan 8.290 nan 0.000 0.515 228 Y N -0.998 119.261 120.300 -0.067 0.000 2.588 228 Y HA 0.807 5.357 4.550 0.000 0.000 0.343 228 Y C 0.090 175.938 175.900 -0.087 0.000 1.065 228 Y CA -1.238 56.897 58.100 0.059 0.000 1.038 228 Y CB 2.166 40.732 38.460 0.177 0.000 1.297 228 Y HN 0.500 nan 8.280 nan 0.000 0.467 229 R N 2.821 123.415 120.500 0.156 0.000 2.310 229 R HA 0.426 4.766 4.340 0.000 0.000 0.316 229 R C -1.948 174.380 176.300 0.046 0.000 1.004 229 R CA -0.419 55.623 56.100 -0.097 0.000 0.900 229 R CB 0.342 30.370 30.300 -0.452 0.000 1.152 229 R HN 0.845 nan 8.270 nan 0.000 0.513 230 L N 4.000 125.217 121.223 -0.010 0.000 2.325 230 L HA 0.183 4.523 4.340 0.000 0.000 0.284 230 L C 0.407 177.291 176.870 0.023 0.000 1.089 230 L CA -0.445 54.383 54.840 -0.020 0.000 0.836 230 L CB 0.696 42.704 42.059 -0.084 0.000 1.184 230 L HN 0.483 nan 8.230 nan 0.000 0.444 231 D N 3.424 123.871 120.400 0.078 0.000 2.350 231 D HA 0.349 4.989 4.640 0.000 0.000 0.249 231 D C 0.797 177.125 176.300 0.046 0.000 1.119 231 D CA 0.346 54.429 54.000 0.138 0.000 0.886 231 D CB 1.196 42.175 40.800 0.297 0.000 1.195 231 D HN 0.707 nan 8.370 nan 0.000 0.437 232 A N 3.512 126.355 122.820 0.038 0.000 2.665 232 A HA -0.234 4.086 4.320 0.000 0.000 0.301 232 A C 1.573 179.100 177.584 -0.095 0.000 1.509 232 A CA 1.212 53.258 52.037 0.016 0.000 0.789 232 A CB -2.353 16.729 19.000 0.136 0.000 1.024 232 A HN 0.784 nan 8.150 nan 0.000 0.460 233 I N -2.247 118.207 120.570 -0.195 0.000 2.916 233 I HA -0.191 3.979 4.170 0.000 0.000 0.267 233 I C 1.815 177.685 176.117 -0.413 0.000 1.263 233 I CA 1.857 63.007 61.300 -0.250 0.000 1.471 233 I CB -0.395 37.462 38.000 -0.237 0.000 1.089 233 I HN 0.612 nan 8.210 nan 0.000 0.468 234 K N 0.319 120.247 120.400 -0.787 0.000 2.486 234 K HA -0.052 4.268 4.320 0.000 0.000 0.194 234 K C 1.225 177.424 176.600 -0.670 0.000 1.033 234 K CA 0.866 56.495 56.287 -1.098 0.000 1.004 234 K CB -0.281 31.087 32.500 -1.887 0.000 0.798 234 K HN 0.478 nan 8.250 nan 0.000 0.495 235 H N 0.122 119.025 119.070 -0.278 0.000 2.648 235 H HA 0.294 4.850 4.556 0.000 0.000 0.265 235 H C 0.290 175.580 175.328 -0.064 0.000 0.961 235 H CA -0.160 55.770 56.048 -0.196 0.000 1.185 235 H CB 0.555 30.160 29.762 -0.261 0.000 1.449 235 H HN 0.113 nan 8.280 nan 0.000 0.523 236 I N 2.979 123.562 120.570 0.021 0.000 2.385 236 I HA 0.189 4.359 4.170 0.000 0.000 0.294 236 I C -2.184 173.907 176.117 -0.042 0.000 0.988 236 I CA -2.167 59.102 61.300 -0.052 0.000 1.265 236 I CB 1.582 39.479 38.000 -0.172 0.000 1.388 236 I HN -0.262 nan 8.210 nan 0.000 0.480 237 P HA -0.075 nan 4.420 nan 0.000 0.261 237 P C 0.311 177.498 177.300 -0.188 0.000 1.173 237 P CA 0.245 63.178 63.100 -0.278 0.000 0.760 237 P CB 0.168 31.536 31.700 -0.553 0.000 0.783 238 F N 3.110 122.962 119.950 -0.163 0.000 2.069 238 F HA -0.158 4.369 4.527 0.000 0.000 0.298 238 F C 2.356 178.053 175.800 -0.171 0.000 1.113 238 F CA 0.733 58.676 58.000 -0.094 0.000 1.214 238 F CB -1.993 36.992 39.000 -0.024 0.000 0.978 238 F HN 0.553 nan 8.300 nan 0.000 0.474 239 W N -0.226 121.174 121.300 0.167 0.000 2.325 239 W HA -0.319 4.341 4.660 0.000 0.000 0.299 239 W C 2.258 178.830 176.519 0.088 0.000 1.215 239 W CA 1.379 58.781 57.345 0.095 0.000 1.244 239 W CB -2.010 27.515 29.460 0.108 0.000 1.140 239 W HN 0.187 nan 8.180 nan 0.000 0.523 240 Y N 2.913 122.650 120.300 -0.938 0.000 2.220 240 Y HA -0.154 4.396 4.550 0.000 0.000 0.291 240 Y C 2.853 178.553 175.900 -0.333 0.000 1.129 240 Y CA 3.144 60.748 58.100 -0.827 0.000 1.161 240 Y CB -0.780 36.810 38.460 -1.449 0.000 0.997 240 Y HN -0.143 nan 8.280 nan 0.000 0.522 241 T N -0.897 113.406 114.554 -0.418 0.000 2.684 241 T HA -0.260 4.090 4.350 0.000 0.000 0.267 241 T C 2.169 176.767 174.700 -0.170 0.000 1.036 241 T CA 1.713 63.645 62.100 -0.279 0.000 1.148 241 T CB -0.757 68.046 68.868 -0.108 0.000 0.863 241 T HN 0.397 nan 8.240 nan 0.000 0.436 242 S N 0.889 116.498 115.700 -0.151 0.000 2.353 242 S HA -0.205 4.265 4.470 0.000 0.000 0.222 242 S C 1.816 176.376 174.600 -0.067 0.000 1.035 242 S CA 1.773 59.913 58.200 -0.100 0.000 1.025 242 S CB -0.683 62.472 63.200 -0.076 0.000 0.902 242 S HN 0.384 nan 8.310 nan 0.000 0.440 243 D N -0.080 120.276 120.400 -0.074 0.000 2.106 243 D HA -0.129 4.511 4.640 0.000 0.000 0.191 243 D C 1.346 177.583 176.300 -0.105 0.000 0.997 243 D CA 1.296 55.270 54.000 -0.043 0.000 0.834 243 D CB -0.575 40.244 40.800 0.032 0.000 0.956 243 D HN 0.655 nan 8.370 nan 0.000 0.448 244 W N 1.101 122.084 121.300 -0.529 0.000 2.335 244 W HA -0.246 4.414 4.660 0.000 0.000 0.311 244 W C 2.252 178.674 176.519 -0.162 0.000 1.213 244 W CA 1.549 58.637 57.345 -0.429 0.000 1.274 244 W CB -0.480 28.598 29.460 -0.637 0.000 1.148 244 W HN -0.196 nan 8.180 nan 0.000 0.498 245 V N 1.212 121.189 119.914 0.106 0.000 2.255 245 V HA -0.359 3.761 4.120 0.000 0.000 0.247 245 V C 2.439 178.484 176.094 -0.081 0.000 1.051 245 V CA 2.470 64.793 62.300 0.039 0.000 1.018 245 V CB -0.974 30.891 31.823 0.070 0.000 0.641 245 V HN 0.190 nan 8.190 nan 0.000 0.445 246 R N -0.870 119.597 120.500 -0.056 0.000 2.105 246 R HA -0.221 4.119 4.340 0.000 0.000 0.239 246 R C 2.310 178.561 176.300 -0.081 0.000 1.135 246 R CA 1.963 58.031 56.100 -0.054 0.000 0.967 246 R CB -0.578 29.710 30.300 -0.021 0.000 0.861 246 R HN 0.684 nan 8.270 nan 0.000 0.442 247 H N 0.800 119.753 119.070 -0.195 0.000 2.321 247 H HA -0.094 4.463 4.556 0.000 0.000 0.300 247 H C 2.066 177.228 175.328 -0.277 0.000 1.087 247 H CA 1.648 57.565 56.048 -0.219 0.000 1.319 247 H CB 0.200 29.810 29.762 -0.252 0.000 1.379 247 H HN 0.046 nan 8.280 nan 0.000 0.501 248 Q N 0.573 120.150 119.800 -0.372 0.000 2.050 248 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 248 Q C 2.485 178.346 176.000 -0.232 0.000 0.980 248 Q CA 1.380 56.961 55.803 -0.369 0.000 0.840 248 Q CB -0.351 28.113 28.738 -0.457 0.000 0.898 248 Q HN 0.505 nan 8.270 nan 0.000 0.424 249 R N 0.640 121.036 120.500 -0.172 0.000 2.193 249 R HA -0.071 4.269 4.340 0.000 0.000 0.229 249 R C 1.990 178.206 176.300 -0.140 0.000 1.110 249 R CA 0.892 56.917 56.100 -0.125 0.000 0.988 249 R CB -0.066 30.181 30.300 -0.088 0.000 0.871 249 R HN 0.236 nan 8.270 nan 0.000 0.458 250 N N 0.611 119.198 118.700 -0.188 0.000 2.207 250 N HA -0.125 4.615 4.740 0.000 0.000 0.182 250 N C 1.248 176.636 175.510 -0.203 0.000 1.020 250 N CA 1.118 54.057 53.050 -0.185 0.000 0.858 250 N CB 0.263 38.620 38.487 -0.216 0.000 0.991 250 N HN 0.144 nan 8.380 nan 0.000 0.427 251 E N 0.531 120.564 120.200 -0.277 0.000 2.158 251 E HA 0.074 4.424 4.350 0.000 0.000 0.191 251 E C 0.363 176.873 176.600 -0.149 0.000 0.982 251 E CA 0.121 56.385 56.400 -0.225 0.000 0.823 251 E CB -0.190 29.346 29.700 -0.273 0.000 0.766 251 E HN 0.318 nan 8.360 nan 0.000 0.468 252 A N 1.632 124.366 122.820 -0.144 0.000 2.331 252 A HA 0.176 4.496 4.320 0.000 0.000 0.283 252 A C 0.440 177.966 177.584 -0.095 0.000 1.142 252 A CA -0.526 51.442 52.037 -0.114 0.000 0.812 252 A CB 0.622 19.552 19.000 -0.116 0.000 1.074 252 A HN -0.169 nan 8.150 nan 0.000 0.497 253 D N 0.504 120.855 120.400 -0.082 0.000 2.091 253 D HA -0.086 4.554 4.640 0.000 0.000 0.199 253 D C 1.241 177.502 176.300 -0.065 0.000 0.980 253 D CA 1.240 55.200 54.000 -0.067 0.000 0.831 253 D CB -0.209 40.555 40.800 -0.059 0.000 0.987 253 D HN 0.792 nan 8.370 nan 0.000 0.460 254 Q N 1.972 121.731 119.800 -0.070 0.000 2.540 254 Q HA -0.021 4.319 4.340 0.000 0.000 0.256 254 Q C -0.206 175.756 176.000 -0.064 0.000 1.084 254 Q CA 0.325 56.090 55.803 -0.063 0.000 0.956 254 Q CB 0.625 29.322 28.738 -0.070 0.000 1.303 254 Q HN 0.108 nan 8.270 nan 0.000 0.509 255 D N 1.060 121.432 120.400 -0.046 0.000 2.357 255 D HA 0.346 4.986 4.640 0.000 0.000 0.242 255 D C -0.306 175.959 176.300 -0.057 0.000 1.153 255 D CA 0.010 53.987 54.000 -0.037 0.000 0.918 255 D CB 0.754 41.550 40.800 -0.007 0.000 1.181 255 D HN 0.379 nan 8.370 nan 0.000 0.435 256 L N 2.030 123.210 121.223 -0.073 0.000 2.404 256 L HA 0.297 4.637 4.340 0.000 0.000 0.272 256 L C -0.472 176.327 176.870 -0.118 0.000 0.980 256 L CA -0.943 53.804 54.840 -0.155 0.000 0.836 256 L CB 1.395 43.316 42.059 -0.230 0.000 1.238 256 L HN 0.239 nan 8.230 nan 0.000 0.408 257 F N 4.668 124.452 119.950 -0.276 0.000 2.384 257 F HA 0.614 5.141 4.527 0.000 0.000 0.338 257 F C -0.425 175.158 175.800 -0.362 0.000 1.103 257 F CA -0.364 57.457 58.000 -0.299 0.000 1.157 257 F CB 1.238 39.995 39.000 -0.405 0.000 1.167 257 F HN 0.059 nan 8.300 nan 0.000 0.529 258 V N 7.231 126.369 119.914 -1.293 0.000 2.569 258 V HA 0.435 4.555 4.120 0.000 0.000 0.301 258 V C -1.076 174.398 176.094 -1.033 0.000 1.044 258 V CA -0.915 60.879 62.300 -0.843 0.000 0.874 258 V CB 1.340 32.990 31.823 -0.288 0.000 1.002 258 V HN 0.712 nan 8.190 nan 0.000 0.424 259 V N 4.462 123.910 119.914 -0.778 0.000 2.487 259 V HA 0.950 5.071 4.120 0.000 0.000 0.298 259 V C 0.320 176.124 176.094 -0.484 0.000 1.028 259 V CA 0.219 62.128 62.300 -0.651 0.000 0.860 259 V CB 1.648 33.057 31.823 -0.690 0.000 0.991 259 V HN 0.977 nan 8.190 nan 0.000 0.427 260 G N 3.988 112.571 108.800 -0.362 0.000 2.388 260 G HA2 0.473 4.433 3.960 0.000 0.000 0.330 260 G HA3 0.473 4.433 3.960 0.000 0.000 0.330 260 G C -0.671 174.168 174.900 -0.101 0.000 1.142 260 G CA -0.457 44.527 45.100 -0.192 0.000 0.908 260 G HN 0.800 nan 8.290 nan 0.000 0.473 261 E N 1.765 122.006 120.200 0.068 0.000 1.936 261 E HA 0.102 4.452 4.350 0.000 0.000 0.267 261 E C -1.326 175.324 176.600 0.084 0.000 1.076 261 E CA -0.616 55.948 56.400 0.272 0.000 0.870 261 E CB 0.483 30.376 29.700 0.323 0.000 1.093 261 E HN 0.415 nan 8.360 nan 0.000 0.411 262 Y N 5.682 125.922 120.300 -0.099 0.000 2.700 262 Y HA 0.119 4.669 4.550 0.000 0.000 0.333 262 Y C -0.739 175.105 175.900 -0.093 0.000 1.036 262 Y CA -1.069 56.871 58.100 -0.267 0.000 1.287 262 Y CB 0.296 38.433 38.460 -0.539 0.000 1.132 262 Y HN 0.534 nan 8.280 nan 0.000 0.510 263 W N 8.812 130.037 121.300 -0.125 0.000 2.510 263 W HA 0.302 4.962 4.660 0.000 0.000 0.388 263 W C -0.946 175.593 176.519 0.033 0.000 1.092 263 W CA -0.151 57.190 57.345 -0.007 0.000 1.562 263 W CB 0.121 29.545 29.460 -0.061 0.000 1.603 263 W HN 0.509 nan 8.180 nan 0.000 0.396 264 K N 3.664 123.970 120.400 -0.156 0.000 2.550 264 K HA 0.017 4.337 4.320 0.000 0.000 0.252 264 K C -0.764 175.713 176.600 -0.206 0.000 0.943 264 K CA -0.543 55.690 56.287 -0.090 0.000 0.806 264 K CB 1.177 33.754 32.500 0.128 0.000 1.289 264 K HN 0.012 nan 8.250 nan 0.000 0.435 265 D N 2.961 123.198 120.400 -0.272 0.000 2.801 265 D HA 0.059 4.699 4.640 0.000 0.000 0.232 265 D C -1.222 174.983 176.300 -0.159 0.000 1.128 265 D CA 0.452 54.282 54.000 -0.284 0.000 1.003 265 D CB 0.129 40.593 40.800 -0.561 0.000 1.110 265 D HN 0.390 nan 8.370 nan 0.000 0.477 266 D N 1.708 122.041 120.400 -0.111 0.000 2.354 266 D HA -0.055 4.585 4.640 0.000 0.000 0.230 266 D C 0.791 177.049 176.300 -0.070 0.000 1.361 266 D CA -0.492 53.465 54.000 -0.073 0.000 0.992 266 D CB 1.171 41.939 40.800 -0.054 0.000 1.409 266 D HN 0.049 nan 8.370 nan 0.000 0.573 267 V N 3.965 123.850 119.914 -0.048 0.000 2.490 267 V HA -0.062 4.058 4.120 0.000 0.000 0.250 267 V C 2.012 178.099 176.094 -0.012 0.000 1.061 267 V CA 2.838 65.123 62.300 -0.025 0.000 1.064 267 V CB -0.207 31.621 31.823 0.009 0.000 0.670 267 V HN 0.626 nan 8.190 nan 0.000 0.461 268 G N -0.632 108.168 108.800 0.000 0.000 2.433 268 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 268 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 268 G C 1.813 176.712 174.900 -0.001 0.000 1.186 268 G CA 1.044 46.163 45.100 0.031 0.000 0.779 268 G HN 0.745 nan 8.290 nan 0.000 0.543 269 A N 0.323 123.102 122.820 -0.069 0.000 1.917 269 A HA -0.013 4.307 4.320 0.000 0.000 0.219 269 A C 2.377 179.743 177.584 -0.363 0.000 1.182 269 A CA 1.710 53.644 52.037 -0.171 0.000 0.633 269 A CB -0.430 18.487 19.000 -0.138 0.000 0.819 269 A HN 0.311 nan 8.150 nan 0.000 0.448 270 L N -0.242 120.764 121.223 -0.361 0.000 2.093 270 L HA -0.131 4.209 4.340 0.000 0.000 0.208 270 L C 2.404 179.083 176.870 -0.319 0.000 1.085 270 L CA 1.953 56.524 54.840 -0.449 0.000 0.755 270 L CB -0.664 41.237 42.059 -0.264 0.000 0.904 270 L HN 0.479 nan 8.230 nan 0.000 0.435 271 E N -1.270 118.833 120.200 -0.162 0.000 2.072 271 E HA -0.236 4.114 4.350 0.000 0.000 0.190 271 E C 2.129 178.633 176.600 -0.161 0.000 0.982 271 E CA 1.091 57.406 56.400 -0.142 0.000 0.803 271 E CB -0.284 29.470 29.700 0.089 0.000 0.755 271 E HN 0.430 nan 8.360 nan 0.000 0.453 272 F N 0.671 120.500 119.950 -0.201 0.000 2.126 272 F HA -0.314 4.214 4.527 0.000 0.000 0.299 272 F C 2.315 177.951 175.800 -0.274 0.000 1.096 272 F CA 1.509 59.416 58.000 -0.155 0.000 1.255 272 F CB -0.164 38.793 39.000 -0.072 0.000 0.997 272 F HN 0.010 nan 8.300 nan 0.000 0.479 273 Y N 0.718 120.900 120.300 -0.197 0.000 2.200 273 Y HA -0.180 4.370 4.550 0.000 0.000 0.290 273 Y C 1.986 177.510 175.900 -0.627 0.000 1.137 273 Y CA 1.782 59.578 58.100 -0.506 0.000 1.163 273 Y CB -0.465 37.484 38.460 -0.851 0.000 0.988 273 Y HN 0.081 nan 8.280 nan 0.000 0.518 274 L N -0.239 120.543 121.223 -0.735 0.000 2.201 274 L HA -0.204 4.136 4.340 0.000 0.000 0.212 274 L C 1.995 178.006 176.870 -1.430 0.000 1.105 274 L CA 1.164 55.229 54.840 -1.291 0.000 0.775 274 L CB -0.473 40.381 42.059 -2.008 0.000 0.913 274 L HN 0.212 nan 8.230 nan 0.000 0.440 275 D N -0.084 119.794 120.400 -0.870 0.000 2.084 275 D HA -0.165 4.476 4.640 0.000 0.000 0.196 275 D C 2.101 178.145 176.300 -0.427 0.000 0.985 275 D CA 1.053 54.800 54.000 -0.422 0.000 0.826 275 D CB -0.034 40.592 40.800 -0.291 0.000 0.978 275 D HN 0.253 nan 8.370 nan 0.000 0.456 276 E N 0.062 119.959 120.200 -0.506 0.000 2.209 276 E HA -0.116 4.234 4.350 0.000 0.000 0.196 276 E C 1.829 178.184 176.600 -0.408 0.000 0.993 276 E CA 0.597 56.764 56.400 -0.387 0.000 0.819 276 E CB -0.099 29.415 29.700 -0.310 0.000 0.745 276 E HN 0.350 nan 8.360 nan 0.000 0.477 277 M N -0.140 119.105 119.600 -0.592 0.000 2.502 277 M HA 0.037 4.517 4.480 0.000 0.000 0.243 277 M C 0.380 176.487 176.300 -0.320 0.000 1.130 277 M CA 0.190 55.194 55.300 -0.493 0.000 1.055 277 M CB -0.911 31.317 32.600 -0.621 0.000 1.457 277 M HN -0.001 nan 8.290 nan 0.000 0.488 278 N N 0.233 118.764 118.700 -0.282 0.000 2.754 278 N HA -0.213 4.527 4.740 0.000 0.000 0.248 278 N C -1.252 174.269 175.510 0.018 0.000 1.093 278 N CA 0.699 53.713 53.050 -0.060 0.000 0.699 278 N CB -1.555 36.909 38.487 -0.039 0.000 1.016 278 N HN 0.461 nan 8.380 nan 0.000 0.552 279 W N -1.263 119.855 121.300 -0.304 0.000 6.719 279 W HA -0.245 4.415 4.660 0.000 0.000 0.406 279 W C 0.703 177.057 176.519 -0.275 0.000 1.551 279 W CA 0.809 57.892 57.345 -0.435 0.000 1.103 279 W CB -2.045 27.058 29.460 -0.596 0.000 2.735 279 W HN 0.453 nan 8.180 nan 0.000 1.586 280 E N -0.496 119.642 120.200 -0.102 0.000 2.444 280 E HA 0.137 4.487 4.350 0.000 0.000 0.191 280 E C 1.068 177.632 176.600 -0.060 0.000 1.041 280 E CA 0.515 56.892 56.400 -0.039 0.000 0.883 280 E CB -0.004 29.662 29.700 -0.058 0.000 1.024 280 E HN 0.499 nan 8.360 nan 0.000 0.470 281 M N -2.871 116.677 119.600 -0.087 0.000 2.813 281 M HA 0.539 5.019 4.480 0.000 0.000 0.270 281 M C -1.146 175.123 176.300 -0.051 0.000 1.267 281 M CA -0.925 54.291 55.300 -0.141 0.000 0.822 281 M CB 2.014 34.501 32.600 -0.187 0.000 1.671 281 M HN -0.330 nan 8.290 nan 0.000 0.468 282 S N 0.661 116.279 115.700 -0.136 0.000 2.664 282 S HA 0.883 5.353 4.470 0.000 0.000 0.304 282 S C -0.902 173.616 174.600 -0.137 0.000 1.099 282 S CA -0.877 57.328 58.200 0.008 0.000 1.003 282 S CB 1.610 64.899 63.200 0.149 0.000 1.092 282 S HN 0.576 nan 8.310 nan 0.000 0.525 283 L N 1.219 122.397 121.223 -0.075 0.000 2.370 283 L HA 0.575 4.915 4.340 0.000 0.000 0.266 283 L C -1.149 175.694 176.870 -0.044 0.000 1.002 283 L CA -0.838 53.926 54.840 -0.127 0.000 0.818 283 L CB 1.108 43.123 42.059 -0.074 0.000 1.325 283 L HN 0.529 nan 8.230 nan 0.000 0.418 284 F N 0.616 120.605 119.950 0.064 0.000 2.572 284 F HA -0.017 4.510 4.527 0.000 0.000 0.370 284 F C 1.165 177.099 175.800 0.222 0.000 1.103 284 F CA -0.026 58.075 58.000 0.168 0.000 1.286 284 F CB 0.130 39.152 39.000 0.037 0.000 1.105 284 F HN 0.401 nan 8.300 nan 0.000 0.583 285 D N 3.794 124.487 120.400 0.489 0.000 2.545 285 D HA 0.050 4.690 4.640 0.000 0.000 0.227 285 D C 1.148 177.492 176.300 0.074 0.000 1.150 285 D CA 0.198 54.314 54.000 0.193 0.000 1.046 285 D CB 0.295 41.142 40.800 0.080 0.000 1.098 285 D HN 0.311 nan 8.370 nan 0.000 0.502 286 V N 4.199 124.132 119.914 0.032 0.000 2.407 286 V HA -0.166 3.954 4.120 0.000 0.000 0.248 286 V C -0.702 175.292 176.094 -0.166 0.000 1.055 286 V CA 1.412 63.580 62.300 -0.219 0.000 1.049 286 V CB -1.060 30.448 31.823 -0.524 0.000 0.662 286 V HN 0.433 nan 8.190 nan 0.000 0.455 287 P HA -0.130 nan 4.420 nan 0.000 0.216 287 P C 1.924 179.127 177.300 -0.162 0.000 1.153 287 P CA 1.010 64.061 63.100 -0.081 0.000 0.848 287 P CB -0.046 31.603 31.700 -0.085 0.000 0.787 288 L N 0.437 121.491 121.223 -0.282 0.000 2.012 288 L HA -0.196 4.144 4.340 0.000 0.000 0.210 288 L C 2.077 178.507 176.870 -0.733 0.000 1.073 288 L CA 2.032 56.548 54.840 -0.539 0.000 0.748 288 L CB -1.783 39.958 42.059 -0.530 0.000 0.891 288 L HN -0.087 nan 8.230 nan 0.000 0.431 289 N N -1.586 116.739 118.700 -0.625 0.000 2.091 289 N HA -0.317 4.423 4.740 0.000 0.000 0.193 289 N C 1.756 177.021 175.510 -0.409 0.000 1.021 289 N CA 2.121 54.798 53.050 -0.620 0.000 0.862 289 N CB -0.406 37.692 38.487 -0.649 0.000 1.018 289 N HN 0.499 nan 8.380 nan 0.000 0.429 290 Y N -0.271 119.907 120.300 -0.204 0.000 2.516 290 Y HA 0.131 4.681 4.550 0.000 0.000 0.291 290 Y C 1.916 177.793 175.900 -0.038 0.000 1.131 290 Y CA 0.319 58.397 58.100 -0.036 0.000 1.281 290 Y CB -0.069 38.367 38.460 -0.039 0.000 1.013 290 Y HN 0.181 nan 8.280 nan 0.000 0.554 291 N N -0.462 118.185 118.700 -0.088 0.000 2.135 291 N HA -0.133 4.607 4.740 0.000 0.000 0.186 291 N C 1.503 176.910 175.510 -0.171 0.000 1.027 291 N CA 1.221 54.205 53.050 -0.110 0.000 0.849 291 N CB -0.584 37.756 38.487 -0.245 0.000 1.002 291 N HN 0.144 nan 8.380 nan 0.000 0.425 292 F N 0.316 120.146 119.950 -0.199 0.000 2.134 292 F HA -0.135 4.392 4.527 0.000 0.000 0.299 292 F C 2.283 177.837 175.800 -0.411 0.000 1.097 292 F CA 0.473 58.277 58.000 -0.327 0.000 1.264 292 F CB -1.300 37.571 39.000 -0.216 0.000 1.001 292 F HN 0.099 nan 8.300 nan 0.000 0.479 293 Y N 1.136 121.355 120.300 -0.135 0.000 2.145 293 Y HA -0.205 4.345 4.550 0.000 0.000 0.286 293 Y C 2.584 178.410 175.900 -0.124 0.000 1.145 293 Y CA 1.621 59.646 58.100 -0.126 0.000 1.148 293 Y CB -0.526 37.897 38.460 -0.061 0.000 0.981 293 Y HN -0.083 nan 8.280 nan 0.000 0.507 294 R N -0.290 120.133 120.500 -0.129 0.000 2.091 294 R HA -0.162 4.178 4.340 0.000 0.000 0.238 294 R C 2.470 178.578 176.300 -0.319 0.000 1.136 294 R CA 1.242 57.255 56.100 -0.146 0.000 0.959 294 R CB -0.605 29.769 30.300 0.123 0.000 0.856 294 R HN 0.443 nan 8.270 nan 0.000 0.437 295 A N -0.086 122.282 122.820 -0.754 0.000 1.930 295 A HA -0.133 4.187 4.320 0.000 0.000 0.217 295 A C 2.137 179.201 177.584 -0.867 0.000 1.175 295 A CA 1.613 52.901 52.037 -1.249 0.000 0.627 295 A CB -0.416 17.399 19.000 -1.974 0.000 0.815 295 A HN 0.291 nan 8.150 nan 0.000 0.443 296 S N -1.169 114.033 115.700 -0.829 0.000 2.383 296 S HA -0.145 4.325 4.470 0.000 0.000 0.227 296 S C 2.155 176.763 174.600 0.015 0.000 1.026 296 S CA 1.371 59.325 58.200 -0.410 0.000 0.981 296 S CB -0.285 62.713 63.200 -0.336 0.000 0.818 296 S HN 0.569 nan 8.310 nan 0.000 0.472 297 Q N 0.634 120.301 119.800 -0.221 0.000 2.137 297 Q HA -0.022 4.318 4.340 0.000 0.000 0.198 297 Q C 2.170 178.160 176.000 -0.016 0.000 0.960 297 Q CA 1.126 56.834 55.803 -0.157 0.000 0.847 297 Q CB -0.499 27.994 28.738 -0.409 0.000 0.915 297 Q HN 0.705 nan 8.270 nan 0.000 0.448 298 Q N -0.384 119.419 119.800 0.006 0.000 2.187 298 Q HA 0.046 4.386 4.340 0.000 0.000 0.199 298 Q C 0.469 176.560 176.000 0.152 0.000 0.957 298 Q CA 0.908 56.768 55.803 0.094 0.000 0.857 298 Q CB 0.266 29.106 28.738 0.171 0.000 0.929 298 Q HN 0.356 nan 8.270 nan 0.000 0.453 299 G N -1.372 107.584 108.800 0.260 0.000 2.527 299 G HA2 -0.295 3.666 3.960 0.000 0.000 0.227 299 G HA3 -0.295 3.666 3.960 0.000 0.000 0.227 299 G C 0.535 175.658 174.900 0.372 0.000 1.291 299 G CA -0.228 45.040 45.100 0.280 0.000 0.904 299 G HN 0.437 nan 8.290 nan 0.000 0.577 300 G N -0.051 108.895 108.800 0.243 0.000 2.498 300 G HA2 0.176 4.136 3.960 0.000 0.000 0.219 300 G HA3 0.176 4.136 3.960 0.000 0.000 0.219 300 G C 2.079 177.156 174.900 0.296 0.000 1.119 300 G CA 2.199 47.477 45.100 0.296 0.000 0.766 300 G HN 1.998 nan 8.290 nan 0.000 0.552 301 S N -1.132 114.708 115.700 0.233 0.000 2.515 301 S HA 0.071 4.541 4.470 0.000 0.000 0.231 301 S C 0.876 175.609 174.600 0.221 0.000 0.987 301 S CA -0.457 57.855 58.200 0.187 0.000 0.936 301 S CB -0.355 62.914 63.200 0.115 0.000 0.766 301 S HN 0.358 nan 8.310 nan 0.000 0.528 302 Y N 3.317 123.715 120.300 0.165 0.000 2.526 302 Y HA 0.223 4.773 4.550 0.000 0.000 0.330 302 Y C 0.188 176.214 175.900 0.211 0.000 1.156 302 Y CA -0.545 57.646 58.100 0.152 0.000 1.419 302 Y CB 0.367 38.906 38.460 0.132 0.000 1.250 302 Y HN 0.078 nan 8.280 nan 0.000 0.540 303 D N 7.174 127.499 120.400 -0.123 0.000 2.359 303 D HA -0.002 4.638 4.640 0.000 0.000 0.250 303 D C 0.887 177.300 176.300 0.189 0.000 1.264 303 D CA -0.062 53.985 54.000 0.078 0.000 0.911 303 D CB 0.703 41.489 40.800 -0.024 0.000 1.056 303 D HN 0.704 nan 8.370 nan 0.000 0.499 304 M N 3.174 123.042 119.600 0.448 0.000 2.435 304 M HA -0.139 4.341 4.480 0.000 0.000 0.262 304 M C 1.673 178.261 176.300 0.481 0.000 1.065 304 M CA 0.996 56.618 55.300 0.537 0.000 1.076 304 M CB -0.498 32.392 32.600 0.483 0.000 1.403 304 M HN 0.393 nan 8.290 nan 0.000 0.454 305 R N -0.174 120.547 120.500 0.368 0.000 2.189 305 R HA -0.081 4.259 4.340 0.000 0.000 0.223 305 R C 0.899 177.307 176.300 0.179 0.000 1.092 305 R CA 0.990 57.295 56.100 0.342 0.000 0.989 305 R CB -0.281 30.182 30.300 0.271 0.000 0.876 305 R HN 0.569 nan 8.270 nan 0.000 0.457 306 N N -0.004 118.768 118.700 0.119 0.000 2.235 306 N HA 0.025 4.765 4.740 0.000 0.000 0.209 306 N C 0.885 176.460 175.510 0.108 0.000 1.122 306 N CA -0.307 52.757 53.050 0.023 0.000 0.845 306 N CB 0.385 38.823 38.487 -0.082 0.000 1.004 306 N HN 0.029 nan 8.380 nan 0.000 0.499 307 I N 0.830 121.561 120.570 0.269 0.000 2.264 307 I HA -0.188 3.982 4.170 0.000 0.000 0.248 307 I C 1.250 177.414 176.117 0.079 0.000 1.111 307 I CA 1.602 63.111 61.300 0.349 0.000 1.382 307 I CB 0.142 38.432 38.000 0.483 0.000 1.060 307 I HN 0.229 nan 8.210 nan 0.000 0.418 308 L N -0.098 121.075 121.223 -0.084 0.000 2.585 308 L HA 0.149 4.489 4.340 0.000 0.000 0.226 308 L C 1.122 177.897 176.870 -0.159 0.000 1.113 308 L CA -0.197 54.534 54.840 -0.182 0.000 0.876 308 L CB -0.364 41.505 42.059 -0.317 0.000 1.072 308 L HN 0.078 nan 8.230 nan 0.000 0.468 309 R N 1.139 121.569 120.500 -0.117 0.000 2.446 309 R HA 0.155 4.495 4.340 0.000 0.000 0.314 309 R C 1.009 177.267 176.300 -0.069 0.000 1.003 309 R CA 1.114 57.160 56.100 -0.091 0.000 1.018 309 R CB 0.108 30.370 30.300 -0.064 0.000 0.945 309 R HN 0.307 nan 8.270 nan 0.000 0.419 310 G N 2.586 111.346 108.800 -0.067 0.000 2.195 310 G HA2 -0.344 3.616 3.960 0.000 0.000 0.246 310 G HA3 -0.344 3.616 3.960 0.000 0.000 0.246 310 G C 0.112 174.977 174.900 -0.059 0.000 0.984 310 G CA 0.269 45.339 45.100 -0.051 0.000 0.633 310 G HN 0.848 nan 8.290 nan 0.000 0.525 311 S N -0.447 115.201 115.700 -0.086 0.000 2.617 311 S HA 0.585 5.055 4.470 0.000 0.000 0.255 311 S C 1.390 175.968 174.600 -0.038 0.000 1.318 311 S CA 0.348 58.489 58.200 -0.097 0.000 0.978 311 S CB 1.385 64.497 63.200 -0.147 0.000 0.961 311 S HN 1.156 nan 8.310 nan 0.000 0.582 312 L N 0.826 122.044 121.223 -0.008 0.000 2.253 312 L HA 0.251 4.591 4.340 0.000 0.000 0.205 312 L C 2.319 179.243 176.870 0.090 0.000 1.078 312 L CA 1.218 56.104 54.840 0.077 0.000 0.805 312 L CB -0.782 41.334 42.059 0.095 0.000 0.963 312 L HN 0.676 nan 8.230 nan 0.000 0.459 313 V N 0.077 120.014 119.914 0.037 0.000 2.490 313 V HA -0.279 3.841 4.120 0.000 0.000 0.250 313 V C 2.503 178.580 176.094 -0.029 0.000 1.061 313 V CA 2.176 64.492 62.300 0.026 0.000 1.064 313 V CB -0.296 31.529 31.823 0.003 0.000 0.670 313 V HN 0.743 nan 8.190 nan 0.000 0.461 314 E N -0.109 120.052 120.200 -0.066 0.000 2.051 314 E HA -0.189 4.161 4.350 0.000 0.000 0.192 314 E C 2.072 178.597 176.600 -0.124 0.000 0.991 314 E CA 1.592 57.927 56.400 -0.109 0.000 0.799 314 E CB -0.289 29.336 29.700 -0.124 0.000 0.748 314 E HN 0.660 nan 8.360 nan 0.000 0.449 315 A N -0.072 122.676 122.820 -0.119 0.000 1.943 315 A HA -0.012 4.308 4.320 0.000 0.000 0.213 315 A C 0.696 177.902 177.584 -0.629 0.000 1.181 315 A CA 0.669 52.522 52.037 -0.306 0.000 0.653 315 A CB 0.087 18.974 19.000 -0.188 0.000 0.833 315 A HN 0.356 nan 8.150 nan 0.000 0.451 316 H N -0.997 118.116 119.070 0.072 0.000 2.514 316 H HA 0.167 4.723 4.556 0.000 0.000 0.226 316 H C -2.238 173.150 175.328 0.100 0.000 1.421 316 H CA -1.146 54.973 56.048 0.118 0.000 1.394 316 H CB 0.517 30.473 29.762 0.322 0.000 1.701 316 H HN 0.334 nan 8.280 nan 0.000 0.515 317 P HA -0.164 nan 4.420 nan 0.000 0.224 317 P C 1.320 178.631 177.300 0.018 0.000 1.142 317 P CA 0.887 64.007 63.100 0.033 0.000 0.778 317 P CB 0.430 32.114 31.700 -0.027 0.000 0.764 318 M N -1.357 118.225 119.600 -0.030 0.000 2.541 318 M HA 0.039 4.519 4.480 0.000 0.000 0.252 318 M C 1.027 177.110 176.300 -0.362 0.000 1.125 318 M CA 1.014 56.185 55.300 -0.215 0.000 1.091 318 M CB -0.303 32.094 32.600 -0.338 0.000 1.420 318 M HN -0.079 nan 8.290 nan 0.000 0.486 319 H N -1.210 117.998 119.070 0.230 0.000 2.510 319 H HA 0.588 5.144 4.556 0.000 0.000 0.266 319 H C -0.709 174.732 175.328 0.189 0.000 1.146 319 H CA -0.066 56.124 56.048 0.236 0.000 0.993 319 H CB 0.047 30.014 29.762 0.342 0.000 1.727 319 H HN 0.176 nan 8.280 nan 0.000 0.590 320 A N 1.178 124.142 122.820 0.239 0.000 2.343 320 A HA 0.542 4.862 4.320 0.000 0.000 0.316 320 A C -0.382 177.346 177.584 0.241 0.000 1.104 320 A CA -0.536 51.628 52.037 0.212 0.000 0.768 320 A CB 1.538 20.645 19.000 0.180 0.000 1.213 320 A HN 0.082 nan 8.150 nan 0.000 0.456 321 V N 3.453 123.510 119.914 0.238 0.000 2.311 321 V HA 0.389 4.509 4.120 0.000 0.000 0.275 321 V C 0.521 176.894 176.094 0.466 0.000 1.022 321 V CA -0.177 62.296 62.300 0.288 0.000 0.830 321 V CB 1.202 33.081 31.823 0.093 0.000 1.012 321 V HN 1.028 nan 8.190 nan 0.000 0.452 322 T N 3.310 118.097 114.554 0.389 0.000 2.889 322 T HA 0.787 5.137 4.350 0.000 0.000 0.291 322 T C -0.586 174.403 174.700 0.483 0.000 0.995 322 T CA -0.372 61.944 62.100 0.361 0.000 1.092 322 T CB 1.180 70.170 68.868 0.204 0.000 0.954 322 T HN 0.607 nan 8.240 nan 0.000 0.506 323 F N -0.766 119.299 119.950 0.191 0.000 2.741 323 F HA 0.674 5.201 4.527 0.000 0.000 0.313 323 F C -0.287 175.560 175.800 0.077 0.000 1.153 323 F CA -1.535 56.542 58.000 0.129 0.000 0.931 323 F CB 0.462 39.552 39.000 0.150 0.000 1.335 323 F HN 0.248 nan 8.300 nan 0.000 0.460 324 V N -0.902 118.926 119.914 -0.143 0.000 3.048 324 V HA 0.328 4.448 4.120 0.000 0.000 0.241 324 V C -0.381 175.630 176.094 -0.139 0.000 1.129 324 V CA 0.806 62.924 62.300 -0.304 0.000 1.128 324 V CB -0.069 31.315 31.823 -0.731 0.000 0.849 324 V HN 0.798 nan 8.190 nan 0.000 0.475 325 D N -0.603 119.839 120.400 0.071 0.000 2.639 325 D HA 0.413 5.053 4.640 0.000 0.000 0.271 325 D C -1.410 174.635 176.300 -0.425 0.000 1.254 325 D CA -0.199 53.792 54.000 -0.015 0.000 0.810 325 D CB 2.595 43.349 40.800 -0.076 0.000 1.351 325 D HN 0.407 nan 8.370 nan 0.000 0.427 326 N N -1.867 116.416 118.700 -0.696 0.000 3.439 326 N HA 0.115 4.855 4.740 0.000 0.000 0.313 326 N C 0.781 175.892 175.510 -0.665 0.000 1.598 326 N CA -0.470 51.925 53.050 -1.092 0.000 0.830 326 N CB 0.120 38.358 38.487 -0.415 0.000 1.849 326 N HN 0.369 nan 8.380 nan 0.000 0.598 327 H N -1.528 117.345 119.070 -0.327 0.000 2.491 327 H HA 0.098 4.654 4.556 0.000 0.000 0.290 327 H C -0.394 174.870 175.328 -0.108 0.000 1.050 327 H CA 1.268 57.355 56.048 0.065 0.000 1.309 327 H CB -0.250 29.723 29.762 0.352 0.000 1.392 327 H HN 0.542 nan 8.280 nan 0.000 0.554 328 D N 0.835 120.749 120.400 -0.810 0.000 2.327 328 D HA -0.042 4.598 4.640 0.000 0.000 0.205 328 D C 1.721 177.703 176.300 -0.529 0.000 0.989 328 D CA 1.558 55.075 54.000 -0.805 0.000 0.873 328 D CB 0.210 40.381 40.800 -1.047 0.000 0.955 328 D HN 0.630 nan 8.370 nan 0.000 0.515 329 T N -1.488 112.860 114.554 -0.344 0.000 3.044 329 T HA 0.001 4.352 4.350 0.000 0.000 0.250 329 T C 1.077 175.820 174.700 0.071 0.000 1.081 329 T CA -0.376 61.645 62.100 -0.131 0.000 1.040 329 T CB 0.056 68.913 68.868 -0.018 0.000 0.962 329 T HN 0.143 nan 8.240 nan 0.000 0.506 330 Q N 1.613 121.441 119.800 0.047 0.000 2.454 330 Q HA 0.290 4.630 4.340 0.000 0.000 0.247 330 Q C -2.701 173.178 176.000 -0.203 0.000 1.028 330 Q CA -2.080 53.688 55.803 -0.059 0.000 0.910 330 Q CB -0.546 28.163 28.738 -0.049 0.000 1.276 330 Q HN 0.068 nan 8.270 nan 0.000 0.489 331 P HA -0.104 nan 4.420 nan 0.000 0.261 331 P C 0.531 177.745 177.300 -0.143 0.000 1.165 331 P CA 1.951 64.910 63.100 -0.234 0.000 0.759 331 P CB 0.136 31.643 31.700 -0.321 0.000 0.772 332 G N 1.262 109.996 108.800 -0.110 0.000 2.205 332 G HA2 -0.213 3.747 3.960 0.000 0.000 0.261 332 G HA3 -0.213 3.747 3.960 0.000 0.000 0.261 332 G C 0.294 175.077 174.900 -0.195 0.000 0.980 332 G CA -0.123 44.915 45.100 -0.104 0.000 0.632 332 G HN 0.498 nan 8.290 nan 0.000 0.533 333 E N 0.434 120.460 120.200 -0.290 0.000 2.322 333 E HA 0.517 4.867 4.350 0.000 0.000 0.257 333 E C 1.892 178.260 176.600 -0.387 0.000 1.155 333 E CA 0.204 56.317 56.400 -0.479 0.000 0.936 333 E CB 0.835 30.140 29.700 -0.657 0.000 1.130 333 E HN 0.389 nan 8.360 nan 0.000 0.465 334 S N 0.249 115.669 115.700 -0.466 0.000 2.387 334 S HA -0.156 4.314 4.470 0.000 0.000 0.230 334 S C 1.437 175.854 174.600 -0.305 0.000 1.035 334 S CA 1.139 59.128 58.200 -0.351 0.000 1.014 334 S CB -0.183 62.791 63.200 -0.377 0.000 0.836 334 S HN 0.460 nan 8.310 nan 0.000 0.466 335 L N 1.302 122.285 121.223 -0.401 0.000 3.017 335 L HA 0.387 4.727 4.340 0.000 0.000 0.255 335 L C 0.507 177.258 176.870 -0.199 0.000 1.247 335 L CA -0.337 54.311 54.840 -0.321 0.000 1.038 335 L CB -0.247 41.381 42.059 -0.719 0.000 1.380 335 L HN 0.322 nan 8.230 nan 0.000 0.548 336 E N 2.119 122.204 120.200 -0.192 0.000 2.900 336 E HA -0.108 4.242 4.350 0.000 0.000 0.259 336 E C -0.039 176.423 176.600 -0.229 0.000 0.918 336 E CA 0.704 57.016 56.400 -0.146 0.000 0.960 336 E CB 0.410 30.054 29.700 -0.094 0.000 0.908 336 E HN 0.387 nan 8.360 nan 0.000 0.511 337 S N 4.510 120.025 115.700 -0.308 0.000 2.539 337 S HA 0.016 4.487 4.470 0.000 0.000 0.176 337 S C -0.708 173.742 174.600 -0.249 0.000 0.829 337 S CA -0.850 56.779 58.200 -0.952 0.000 0.990 337 S CB -0.596 62.009 63.200 -0.992 0.000 1.717 337 S HN 0.599 nan 8.310 nan 0.000 0.519 338 W N 2.720 123.982 121.300 -0.064 0.000 2.308 338 W HA 0.410 5.070 4.660 0.000 0.000 0.324 338 W C -0.901 175.768 176.519 0.250 0.000 1.387 338 W CA -0.132 57.282 57.345 0.115 0.000 1.250 338 W CB 0.911 30.443 29.460 0.120 0.000 1.257 338 W HN 0.217 nan 8.180 nan 0.000 0.554 339 V N 7.962 127.635 119.914 -0.401 0.000 2.405 339 V HA 0.156 4.276 4.120 0.000 0.000 0.264 339 V C 1.045 176.846 176.094 -0.489 0.000 1.048 339 V CA -0.550 61.542 62.300 -0.346 0.000 0.966 339 V CB -0.138 31.470 31.823 -0.358 0.000 1.015 339 V HN 0.620 nan 8.190 nan 0.000 0.477 340 A N 3.843 126.607 122.820 -0.092 0.000 2.492 340 A HA 0.100 4.420 4.320 0.000 0.000 0.236 340 A C 1.311 178.934 177.584 0.065 0.000 1.078 340 A CA -0.122 51.999 52.037 0.140 0.000 0.773 340 A CB -0.014 19.227 19.000 0.402 0.000 1.023 340 A HN 0.862 nan 8.150 nan 0.000 0.504 341 D N 0.541 121.065 120.400 0.207 0.000 2.149 341 D HA -0.208 4.432 4.640 0.000 0.000 0.194 341 D C 1.815 178.205 176.300 0.149 0.000 1.001 341 D CA 2.124 56.222 54.000 0.163 0.000 0.849 341 D CB -0.270 40.653 40.800 0.205 0.000 0.939 341 D HN 0.872 nan 8.370 nan 0.000 0.449 342 W N -0.014 121.330 121.300 0.074 0.000 2.374 342 W HA -0.108 4.552 4.660 0.000 0.000 0.288 342 W C 1.628 178.182 176.519 0.058 0.000 1.218 342 W CA 0.223 57.606 57.345 0.063 0.000 1.245 342 W CB -1.309 28.202 29.460 0.084 0.000 1.126 342 W HN -0.025 nan 8.180 nan 0.000 0.545 343 F N 2.085 121.430 119.950 -1.008 0.000 2.656 343 F HA 0.158 4.686 4.527 0.000 0.000 0.291 343 F C 2.634 178.089 175.800 -0.575 0.000 1.122 343 F CA 1.170 58.546 58.000 -1.041 0.000 1.427 343 F CB -0.317 37.845 39.000 -1.398 0.000 1.125 343 F HN -0.251 nan 8.300 nan 0.000 0.583 344 K N 0.902 121.131 120.400 -0.285 0.000 2.113 344 K HA -0.171 4.149 4.320 0.000 0.000 0.208 344 K C -1.099 175.405 176.600 -0.160 0.000 1.047 344 K CA 1.963 58.119 56.287 -0.218 0.000 0.928 344 K CB -1.025 31.413 32.500 -0.102 0.000 0.716 344 K HN 0.162 nan 8.250 nan 0.000 0.446 345 P HA -0.099 nan 4.420 nan 0.000 0.217 345 P C 0.862 178.018 177.300 -0.239 0.000 1.151 345 P CA 0.891 63.908 63.100 -0.138 0.000 0.828 345 P CB 0.122 31.740 31.700 -0.136 0.000 0.788 346 L N -0.503 120.423 121.223 -0.493 0.000 2.056 346 L HA -0.103 4.237 4.340 0.000 0.000 0.207 346 L C 2.493 179.073 176.870 -0.484 0.000 1.078 346 L CA 1.975 56.471 54.840 -0.574 0.000 0.749 346 L CB -1.866 39.540 42.059 -1.087 0.000 0.901 346 L HN -0.099 nan 8.230 nan 0.000 0.433 347 A N -1.462 120.930 122.820 -0.713 0.000 1.877 347 A HA -0.246 4.074 4.320 0.000 0.000 0.216 347 A C 2.240 179.448 177.584 -0.627 0.000 1.186 347 A CA 1.564 52.964 52.037 -1.062 0.000 0.620 347 A CB -1.003 17.016 19.000 -1.635 0.000 0.822 347 A HN 0.381 nan 8.150 nan 0.000 0.443 348 Y N -0.031 120.058 120.300 -0.352 0.000 2.224 348 Y HA -0.119 4.431 4.550 0.000 0.000 0.289 348 Y C 2.898 178.777 175.900 -0.035 0.000 1.146 348 Y CA 0.941 58.954 58.100 -0.145 0.000 1.182 348 Y CB -0.497 37.897 38.460 -0.110 0.000 0.983 348 Y HN 0.340 nan 8.280 nan 0.000 0.524 349 A N -0.966 121.922 122.820 0.115 0.000 1.930 349 A HA -0.167 4.153 4.320 0.000 0.000 0.217 349 A C 2.275 180.073 177.584 0.357 0.000 1.175 349 A CA 2.090 54.232 52.037 0.176 0.000 0.627 349 A CB -1.130 17.915 19.000 0.075 0.000 0.815 349 A HN 0.398 nan 8.150 nan 0.000 0.443 350 T N 0.656 115.409 114.554 0.332 0.000 2.833 350 T HA -0.120 4.230 4.350 0.000 0.000 0.269 350 T C 1.725 176.509 174.700 0.140 0.000 1.054 350 T CA 1.666 63.971 62.100 0.343 0.000 1.135 350 T CB -0.475 68.612 68.868 0.364 0.000 0.869 350 T HN 0.745 nan 8.240 nan 0.000 0.466 351 I N -2.231 118.432 120.570 0.155 0.000 3.462 351 I HA 0.278 4.448 4.170 0.000 0.000 0.290 351 I C 1.749 177.950 176.117 0.139 0.000 1.236 351 I CA 0.605 61.986 61.300 0.135 0.000 1.418 351 I CB -0.202 37.893 38.000 0.158 0.000 1.102 351 I HN 0.099 nan 8.210 nan 0.000 0.441 352 L N 1.384 122.709 121.223 0.170 0.000 2.354 352 L HA 0.077 4.417 4.340 0.000 0.000 0.212 352 L C 2.248 179.194 176.870 0.127 0.000 1.091 352 L CA 1.316 56.250 54.840 0.157 0.000 0.828 352 L CB -0.094 42.071 42.059 0.177 0.000 0.973 352 L HN 0.432 nan 8.230 nan 0.000 0.461 353 T N -3.845 110.820 114.554 0.185 0.000 3.054 353 T HA 0.221 4.571 4.350 0.000 0.000 0.255 353 T C 0.882 175.695 174.700 0.188 0.000 1.035 353 T CA -0.409 61.826 62.100 0.224 0.000 0.941 353 T CB 0.234 69.314 68.868 0.352 0.000 1.026 353 T HN 0.036 nan 8.240 nan 0.000 0.533 354 R N 1.406 121.902 120.500 -0.008 0.000 2.573 354 R HA 0.384 4.724 4.340 0.000 0.000 0.272 354 R C 1.559 177.789 176.300 -0.117 0.000 1.009 354 R CA -0.286 55.681 56.100 -0.221 0.000 1.059 354 R CB 0.967 30.988 30.300 -0.465 0.000 1.112 354 R HN 0.491 nan 8.270 nan 0.000 0.517 355 E N 0.552 120.679 120.200 -0.123 0.000 2.216 355 E HA -0.015 4.335 4.350 0.000 0.000 0.192 355 E C 0.606 177.157 176.600 -0.082 0.000 0.988 355 E CA 0.397 56.740 56.400 -0.095 0.000 0.834 355 E CB 0.144 29.795 29.700 -0.081 0.000 0.772 355 E HN 0.618 nan 8.360 nan 0.000 0.479 356 G N 0.440 109.189 108.800 -0.085 0.000 2.537 356 G HA2 0.439 4.399 3.960 0.000 0.000 0.273 356 G HA3 0.439 4.399 3.960 0.000 0.000 0.273 356 G C 0.314 175.208 174.900 -0.011 0.000 1.189 356 G CA -0.033 45.034 45.100 -0.055 0.000 0.881 356 G HN 0.519 nan 8.290 nan 0.000 0.535 357 G N -1.226 107.591 108.800 0.029 0.000 2.825 357 G HA2 0.019 3.979 3.960 0.000 0.000 0.684 357 G HA3 0.019 3.979 3.960 0.000 0.000 0.684 357 G C -0.758 174.244 174.900 0.171 0.000 1.528 357 G CA -0.094 45.070 45.100 0.107 0.000 0.963 357 G HN 1.299 nan 8.290 nan 0.000 0.577 358 Y N 3.545 123.891 120.300 0.077 0.000 2.402 358 Y HA 0.571 5.121 4.550 0.000 0.000 0.332 358 Y C -1.862 174.126 175.900 0.147 0.000 0.960 358 Y CA -2.977 55.164 58.100 0.068 0.000 1.228 358 Y CB 1.499 39.983 38.460 0.039 0.000 1.120 358 Y HN 0.535 nan 8.280 nan 0.000 0.491 359 P HA 0.128 nan 4.420 nan 0.000 0.275 359 P C -1.007 176.431 177.300 0.229 0.000 1.227 359 P CA -0.182 63.084 63.100 0.276 0.000 0.781 359 P CB 1.458 33.303 31.700 0.241 0.000 0.906 360 N N 2.250 121.128 118.700 0.297 0.000 2.399 360 N HA 0.276 5.016 4.740 0.000 0.000 0.280 360 N C -1.360 174.384 175.510 0.391 0.000 1.008 360 N CA -0.726 52.517 53.050 0.322 0.000 0.894 360 N CB 1.195 39.943 38.487 0.434 0.000 1.273 360 N HN -0.027 nan 8.380 nan 0.000 0.486 361 V N 3.931 124.036 119.914 0.318 0.000 2.498 361 V HA 0.313 4.433 4.120 0.000 0.000 0.279 361 V C -0.191 176.116 176.094 0.355 0.000 1.048 361 V CA -0.589 61.912 62.300 0.335 0.000 0.967 361 V CB 0.239 32.096 31.823 0.057 0.000 0.988 361 V HN 0.590 nan 8.190 nan 0.000 0.473 362 F N 5.492 125.604 119.950 0.270 0.000 2.424 362 F HA 0.288 4.815 4.527 0.000 0.000 0.356 362 F C 0.771 176.676 175.800 0.175 0.000 1.110 362 F CA -1.377 56.741 58.000 0.197 0.000 1.161 362 F CB 0.470 39.635 39.000 0.274 0.000 1.115 362 F HN 0.613 nan 8.300 nan 0.000 0.507 363 Y N 5.301 125.422 120.300 -0.298 0.000 2.139 363 Y HA -0.205 4.345 4.550 0.000 0.000 0.282 363 Y C 2.174 177.729 175.900 -0.575 0.000 1.179 363 Y CA 2.346 60.219 58.100 -0.378 0.000 1.161 363 Y CB -0.563 37.697 38.460 -0.334 0.000 0.970 363 Y HN 0.701 nan 8.280 nan 0.000 0.511 364 G N -0.449 107.613 108.800 -1.229 0.000 2.442 364 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 364 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 364 G C 1.348 176.094 174.900 -0.257 0.000 1.141 364 G CA 1.280 45.890 45.100 -0.817 0.000 0.763 364 G HN 0.443 nan 8.290 nan 0.000 0.554 365 D N -0.939 119.360 120.400 -0.169 0.000 2.183 365 D HA -0.038 4.602 4.640 0.000 0.000 0.205 365 D C 1.950 178.211 176.300 -0.066 0.000 0.962 365 D CA 0.417 54.477 54.000 0.100 0.000 0.849 365 D CB -0.206 40.755 40.800 0.269 0.000 0.978 365 D HN 0.320 nan 8.370 nan 0.000 0.488 366 Y N 0.311 120.404 120.300 -0.345 0.000 2.145 366 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 366 Y C 1.392 176.933 175.900 -0.598 0.000 1.145 366 Y CA 1.597 59.373 58.100 -0.541 0.000 1.148 366 Y CB -0.173 37.845 38.460 -0.736 0.000 0.981 366 Y HN -0.049 nan 8.280 nan 0.000 0.507 367 Y N -0.284 119.815 120.300 -0.336 0.000 2.467 367 Y HA 0.426 4.976 4.550 0.000 0.000 0.250 367 Y C 1.063 176.828 175.900 -0.225 0.000 1.155 367 Y CA -0.044 57.830 58.100 -0.375 0.000 1.249 367 Y CB 0.287 38.404 38.460 -0.572 0.000 1.146 367 Y HN 0.153 nan 8.280 nan 0.000 0.524 368 G N 1.010 109.788 108.800 -0.037 0.000 2.746 368 G HA2 -0.200 3.760 3.960 0.000 0.000 0.685 368 G HA3 -0.200 3.760 3.960 0.000 0.000 0.685 368 G C -0.865 174.066 174.900 0.052 0.000 1.350 368 G CA -0.672 44.444 45.100 0.027 0.000 0.837 368 G HN 0.126 nan 8.290 nan 0.000 0.564 369 I N 2.158 122.766 120.570 0.064 0.000 2.595 369 I HA 0.216 4.386 4.170 0.000 0.000 0.275 369 I C -1.540 174.591 176.117 0.024 0.000 1.092 369 I CA -2.010 59.325 61.300 0.057 0.000 1.145 369 I CB 2.106 40.126 38.000 0.033 0.000 1.276 369 I HN 0.279 nan 8.210 nan 0.000 0.497 370 P HA -0.218 nan 4.420 nan 0.000 0.216 370 P C 1.394 178.672 177.300 -0.036 0.000 1.157 370 P CA 1.509 64.608 63.100 -0.001 0.000 0.880 370 P CB 0.173 31.875 31.700 0.005 0.000 0.791 371 N N -0.726 117.938 118.700 -0.060 0.000 2.184 371 N HA -0.185 4.555 4.740 0.000 0.000 0.190 371 N C 0.434 175.849 175.510 -0.159 0.000 1.011 371 N CA 1.758 54.709 53.050 -0.165 0.000 0.867 371 N CB -0.468 37.789 38.487 -0.383 0.000 0.993 371 N HN 0.115 nan 8.380 nan 0.000 0.433 372 D N -1.382 118.948 120.400 -0.116 0.000 2.462 372 D HA 0.246 4.886 4.640 0.000 0.000 0.221 372 D C -0.639 175.629 176.300 -0.053 0.000 1.173 372 D CA -0.131 53.806 54.000 -0.106 0.000 0.831 372 D CB -0.092 40.616 40.800 -0.154 0.000 1.001 372 D HN 0.247 nan 8.370 nan 0.000 0.499 373 N N 0.363 119.045 118.700 -0.031 0.000 2.754 373 N HA -0.176 4.564 4.740 0.000 0.000 0.248 373 N C -0.885 174.643 175.510 0.029 0.000 1.093 373 N CA 0.073 53.122 53.050 -0.001 0.000 0.699 373 N CB -0.740 37.747 38.487 0.000 0.000 1.016 373 N HN 0.329 nan 8.380 nan 0.000 0.552 374 I N 1.309 121.901 120.570 0.037 0.000 2.304 374 I HA 0.127 4.297 4.170 0.000 0.000 0.291 374 I C 0.892 177.065 176.117 0.092 0.000 1.018 374 I CA -0.512 60.849 61.300 0.101 0.000 1.260 374 I CB 1.120 39.194 38.000 0.124 0.000 1.390 374 I HN 0.136 nan 8.210 nan 0.000 0.475 375 S N 5.361 121.116 115.700 0.091 0.000 2.584 375 S HA 0.491 4.961 4.470 0.000 0.000 0.270 375 S C 0.272 174.893 174.600 0.034 0.000 1.346 375 S CA -0.975 57.255 58.200 0.050 0.000 1.018 375 S CB 1.285 64.508 63.200 0.038 0.000 0.899 375 S HN 0.678 nan 8.310 nan 0.000 0.542 376 A N 1.956 124.767 122.820 -0.015 0.000 2.450 376 A HA 0.389 4.709 4.320 0.000 0.000 0.255 376 A C 0.868 178.381 177.584 -0.119 0.000 1.096 376 A CA -0.633 51.356 52.037 -0.080 0.000 0.778 376 A CB 0.105 19.046 19.000 -0.098 0.000 1.031 376 A HN 0.755 nan 8.150 nan 0.000 0.494 377 K N 2.372 122.673 120.400 -0.165 0.000 2.397 377 K HA 0.061 4.381 4.320 0.000 0.000 0.202 377 K C 1.379 177.808 176.600 -0.285 0.000 1.022 377 K CA 0.040 56.224 56.287 -0.172 0.000 1.141 377 K CB 0.150 32.574 32.500 -0.125 0.000 0.857 377 K HN 0.861 nan 8.250 nan 0.000 0.514 378 K N 1.766 121.885 120.400 -0.467 0.000 2.071 378 K HA -0.261 4.059 4.320 0.000 0.000 0.217 378 K C 0.943 177.327 176.600 -0.360 0.000 1.054 378 K CA 2.215 58.081 56.287 -0.703 0.000 0.937 378 K CB 0.107 32.121 32.500 -0.810 0.000 0.719 378 K HN 0.026 nan 8.250 nan 0.000 0.454 379 D N 0.196 120.451 120.400 -0.242 0.000 2.104 379 D HA -0.219 4.421 4.640 0.000 0.000 0.194 379 D C 1.834 178.055 176.300 -0.131 0.000 0.994 379 D CA 1.295 55.204 54.000 -0.153 0.000 0.830 379 D CB -0.225 40.506 40.800 -0.116 0.000 0.959 379 D HN 0.315 nan 8.370 nan 0.000 0.452 380 M N 0.509 120.025 119.600 -0.140 0.000 2.175 380 M HA -0.086 4.394 4.480 0.000 0.000 0.264 380 M C 1.961 178.177 176.300 -0.140 0.000 1.063 380 M CA 1.119 56.343 55.300 -0.127 0.000 1.119 380 M CB -0.284 32.244 32.600 -0.119 0.000 1.377 380 M HN -0.019 nan 8.290 nan 0.000 0.415 381 I N -0.155 120.309 120.570 -0.177 0.000 2.406 381 I HA -0.229 3.941 4.170 0.000 0.000 0.249 381 I C 1.823 177.909 176.117 -0.052 0.000 1.122 381 I CA 0.717 61.913 61.300 -0.173 0.000 1.431 381 I CB -0.675 37.192 38.000 -0.221 0.000 1.087 381 I HN 0.169 nan 8.210 nan 0.000 0.424 382 D N 1.292 121.680 120.400 -0.021 0.000 2.123 382 D HA -0.195 4.445 4.640 0.000 0.000 0.196 382 D C 2.062 178.360 176.300 -0.002 0.000 0.992 382 D CA 1.370 55.382 54.000 0.021 0.000 0.833 382 D CB -0.122 40.678 40.800 -0.000 0.000 0.954 382 D HN 0.423 nan 8.370 nan 0.000 0.455 383 E N 0.097 120.275 120.200 -0.036 0.000 2.077 383 E HA -0.108 4.242 4.350 0.000 0.000 0.193 383 E C 2.353 178.937 176.600 -0.026 0.000 0.989 383 E CA 0.502 56.878 56.400 -0.040 0.000 0.800 383 E CB -0.074 29.582 29.700 -0.074 0.000 0.746 383 E HN 0.291 nan 8.360 nan 0.000 0.452 384 L N 0.560 121.767 121.223 -0.028 0.000 2.156 384 L HA -0.126 4.214 4.340 0.000 0.000 0.208 384 L C 2.358 179.251 176.870 0.038 0.000 1.095 384 L CA 0.625 55.465 54.840 0.001 0.000 0.770 384 L CB -0.276 41.787 42.059 0.007 0.000 0.914 384 L HN 0.173 nan 8.230 nan 0.000 0.439 385 L N -0.229 121.013 121.223 0.032 0.000 2.141 385 L HA -0.202 4.138 4.340 0.000 0.000 0.209 385 L C 2.170 179.080 176.870 0.067 0.000 1.094 385 L CA 1.076 55.944 54.840 0.048 0.000 0.763 385 L CB -0.409 41.672 42.059 0.036 0.000 0.908 385 L HN 0.297 nan 8.230 nan 0.000 0.437 386 D N 0.060 120.503 120.400 0.071 0.000 2.149 386 D HA -0.139 4.501 4.640 0.000 0.000 0.201 386 D C 2.148 178.575 176.300 0.212 0.000 0.972 386 D CA 1.252 55.321 54.000 0.115 0.000 0.835 386 D CB 0.234 41.093 40.800 0.099 0.000 0.966 386 D HN 0.209 nan 8.370 nan 0.000 0.476 387 A N 0.650 123.568 122.820 0.163 0.000 1.845 387 A HA -0.183 4.137 4.320 0.000 0.000 0.215 387 A C 2.327 180.034 177.584 0.205 0.000 1.195 387 A CA 1.884 54.043 52.037 0.204 0.000 0.616 387 A CB -0.816 18.214 19.000 0.050 0.000 0.832 387 A HN 0.272 nan 8.150 nan 0.000 0.443 388 R N -0.580 119.987 120.500 0.112 0.000 2.083 388 R HA -0.224 4.116 4.340 0.000 0.000 0.237 388 R C 2.477 178.808 176.300 0.051 0.000 1.137 388 R CA 2.021 58.149 56.100 0.048 0.000 0.951 388 R CB -0.383 29.944 30.300 0.045 0.000 0.851 388 R HN 0.719 nan 8.270 nan 0.000 0.434 389 Q N -0.498 119.365 119.800 0.104 0.000 2.124 389 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 389 Q C 0.655 176.785 176.000 0.216 0.000 0.977 389 Q CA 1.702 57.587 55.803 0.137 0.000 0.850 389 Q CB 0.215 29.000 28.738 0.078 0.000 0.901 389 Q HN 0.466 nan 8.270 nan 0.000 0.429 390 N N -1.850 116.922 118.700 0.120 0.000 2.193 390 N HA 0.047 4.787 4.740 0.000 0.000 0.210 390 N C 0.068 175.373 175.510 -0.341 0.000 1.215 390 N CA 0.243 53.190 53.050 -0.172 0.000 0.901 390 N CB 0.642 38.835 38.487 -0.490 0.000 1.060 390 N HN 0.264 nan 8.380 nan 0.000 0.508 391 Y N 0.343 120.767 120.300 0.207 0.000 2.441 391 Y HA 0.425 4.975 4.550 0.000 0.000 0.266 391 Y C 1.113 177.103 175.900 0.149 0.000 1.093 391 Y CA -0.472 57.703 58.100 0.124 0.000 1.246 391 Y CB 0.410 38.836 38.460 -0.056 0.000 1.262 391 Y HN -0.099 nan 8.280 nan 0.000 0.518 392 A N 0.788 123.701 122.820 0.155 0.000 3.063 392 A HA 0.423 4.743 4.320 0.000 0.000 0.263 392 A C -1.190 176.170 177.584 -0.374 0.000 1.736 392 A CA 0.241 52.241 52.037 -0.062 0.000 1.408 392 A CB -1.641 17.300 19.000 -0.098 0.000 1.108 392 A HN 0.374 nan 8.150 nan 0.000 0.621 393 Y N -0.343 119.988 120.300 0.052 0.000 2.634 393 Y HA 0.637 5.187 4.550 0.000 0.000 0.340 393 Y C 0.874 176.803 175.900 0.049 0.000 1.058 393 Y CA -0.141 57.977 58.100 0.030 0.000 1.081 393 Y CB 1.635 40.096 38.460 0.001 0.000 1.295 393 Y HN 0.970 nan 8.280 nan 0.000 0.487 394 G N 0.258 109.176 108.800 0.197 0.000 2.829 394 G HA2 -0.172 3.788 3.960 0.000 0.000 0.628 394 G HA3 -0.172 3.788 3.960 0.000 0.000 0.628 394 G C -0.607 174.347 174.900 0.089 0.000 1.412 394 G CA -0.702 44.480 45.100 0.136 0.000 0.864 394 G HN 0.677 nan 8.290 nan 0.000 0.544 395 T N 0.873 115.472 114.554 0.075 0.000 2.939 395 T HA 0.299 4.649 4.350 0.000 0.000 0.312 395 T C 0.692 175.365 174.700 -0.045 0.000 1.064 395 T CA 1.355 63.455 62.100 0.001 0.000 1.136 395 T CB 0.833 69.718 68.868 0.028 0.000 1.035 395 T HN 0.761 nan 8.240 nan 0.000 0.538 396 Q N 1.754 121.456 119.800 -0.163 0.000 2.306 396 Q HA 0.296 4.636 4.340 0.000 0.000 0.265 396 Q C -1.186 174.615 176.000 -0.331 0.000 1.022 396 Q CA -0.824 54.914 55.803 -0.108 0.000 0.853 396 Q CB 0.907 29.625 28.738 -0.033 0.000 1.327 396 Q HN 0.736 nan 8.270 nan 0.000 0.449 397 H N 2.680 121.853 119.070 0.171 0.000 2.744 397 H HA 0.310 4.866 4.556 0.000 0.000 0.339 397 H C -1.288 174.137 175.328 0.163 0.000 1.004 397 H CA -0.758 55.367 56.048 0.128 0.000 1.257 397 H CB 1.694 31.577 29.762 0.201 0.000 1.552 397 H HN 0.654 nan 8.280 nan 0.000 0.522 398 D N 1.980 122.439 120.400 0.097 0.000 2.217 398 D HA 0.219 4.859 4.640 0.000 0.000 0.248 398 D C -0.294 175.895 176.300 -0.186 0.000 1.008 398 D CA -0.250 53.841 54.000 0.152 0.000 0.914 398 D CB 1.633 42.635 40.800 0.336 0.000 1.182 398 D HN 0.488 nan 8.370 nan 0.000 0.451 399 Y N 0.507 120.816 120.300 0.014 0.000 2.497 399 Y HA 0.249 4.799 4.550 0.000 0.000 0.333 399 Y C -0.371 175.468 175.900 -0.100 0.000 1.046 399 Y CA -0.625 57.482 58.100 0.013 0.000 1.160 399 Y CB 0.045 38.510 38.460 0.008 0.000 1.123 399 Y HN 0.205 nan 8.280 nan 0.000 0.638 400 F N 1.248 121.358 119.950 0.267 0.000 2.752 400 F HA 0.192 4.719 4.527 0.000 0.000 0.332 400 F C 0.387 176.313 175.800 0.210 0.000 1.188 400 F CA -0.677 57.469 58.000 0.244 0.000 1.296 400 F CB -0.139 38.982 39.000 0.202 0.000 1.526 400 F HN 0.334 nan 8.300 nan 0.000 0.576 401 D N -2.193 118.387 120.400 0.300 0.000 2.424 401 D HA 0.042 4.682 4.640 0.000 0.000 0.220 401 D C 0.262 176.708 176.300 0.243 0.000 1.150 401 D CA 0.129 54.286 54.000 0.263 0.000 0.831 401 D CB -0.002 40.950 40.800 0.253 0.000 0.981 401 D HN 0.256 nan 8.370 nan 0.000 0.500 402 H N -0.196 118.934 119.070 0.101 0.000 3.046 402 H HA 0.158 4.715 4.556 0.000 0.000 0.363 402 H C -0.350 174.995 175.328 0.028 0.000 1.203 402 H CA -0.965 55.028 56.048 -0.093 0.000 1.169 402 H CB 0.909 30.472 29.762 -0.331 0.000 1.851 402 H HN 0.088 nan 8.280 nan 0.000 0.546 403 W N 3.362 124.581 121.300 -0.135 0.000 2.402 403 W HA 0.022 4.682 4.660 0.000 0.000 0.286 403 W C 0.368 177.061 176.519 0.290 0.000 1.221 403 W CA 1.128 58.515 57.345 0.069 0.000 1.257 403 W CB 0.012 29.439 29.460 -0.055 0.000 1.120 403 W HN 0.366 nan 8.180 nan 0.000 0.551 404 D N 0.609 121.160 120.400 0.253 0.000 2.652 404 D HA 0.027 4.667 4.640 0.000 0.000 0.261 404 D C 0.427 176.824 176.300 0.163 0.000 1.024 404 D CA 0.680 54.837 54.000 0.261 0.000 0.958 404 D CB -0.387 40.514 40.800 0.169 0.000 1.113 404 D HN -0.070 nan 8.370 nan 0.000 0.471 405 V N 2.435 122.349 119.914 -0.001 0.000 2.439 405 V HA 0.475 4.595 4.120 0.000 0.000 0.282 405 V C 0.349 176.432 176.094 -0.018 0.000 1.039 405 V CA -0.572 61.667 62.300 -0.101 0.000 0.913 405 V CB 1.538 33.176 31.823 -0.309 0.000 0.983 405 V HN 0.091 nan 8.190 nan 0.000 0.460 406 V N 1.815 121.714 119.914 -0.026 0.000 3.188 406 V HA 1.136 5.256 4.120 0.000 0.000 0.305 406 V C -0.230 175.742 176.094 -0.203 0.000 1.232 406 V CA 0.096 62.368 62.300 -0.046 0.000 1.043 406 V CB 1.772 33.635 31.823 0.066 0.000 1.068 406 V HN 1.190 nan 8.190 nan 0.000 0.439 407 G N 0.587 109.227 108.800 -0.267 0.000 2.554 407 G HA2 0.811 4.771 3.960 0.000 0.000 0.306 407 G HA3 0.811 4.771 3.960 0.000 0.000 0.306 407 G C -1.902 172.918 174.900 -0.133 0.000 1.320 407 G CA -0.001 44.833 45.100 -0.443 0.000 0.800 407 G HN 2.258 nan 8.290 nan 0.000 0.481 408 W N -1.319 119.937 121.300 -0.073 0.000 3.057 408 W HA 0.736 5.396 4.660 0.000 0.000 0.328 408 W C -0.481 176.063 176.519 0.041 0.000 1.232 408 W CA -0.599 56.789 57.345 0.072 0.000 1.187 408 W CB 0.636 30.110 29.460 0.023 0.000 1.417 408 W HN 1.049 nan 8.180 nan 0.000 0.569 409 T N -0.678 114.116 114.554 0.399 0.000 2.865 409 T HA 0.828 5.178 4.350 0.000 0.000 0.294 409 T C -1.071 173.830 174.700 0.335 0.000 1.119 409 T CA -1.221 61.034 62.100 0.257 0.000 1.007 409 T CB 2.248 71.215 68.868 0.163 0.000 1.225 409 T HN 0.675 nan 8.240 nan 0.000 0.515 410 R N 1.024 121.689 120.500 0.275 0.000 2.514 410 R HA 0.350 4.690 4.340 0.000 0.000 0.296 410 R C 0.361 176.815 176.300 0.256 0.000 1.012 410 R CA -0.534 55.707 56.100 0.236 0.000 0.897 410 R CB 1.596 32.006 30.300 0.184 0.000 1.184 410 R HN 0.901 nan 8.270 nan 0.000 0.440 411 E N 1.243 121.592 120.200 0.248 0.000 2.338 411 E HA 0.003 4.353 4.350 0.000 0.000 0.197 411 E C 0.666 177.393 176.600 0.211 0.000 1.007 411 E CA 0.872 57.406 56.400 0.223 0.000 0.849 411 E CB 0.152 29.976 29.700 0.207 0.000 0.774 411 E HN 0.912 nan 8.360 nan 0.000 0.506 412 G N 0.833 109.751 108.800 0.198 0.000 2.712 412 G HA2 -0.173 3.787 3.960 0.000 0.000 0.683 412 G HA3 -0.173 3.787 3.960 0.000 0.000 0.683 412 G C -0.390 174.595 174.900 0.142 0.000 1.320 412 G CA -0.362 44.847 45.100 0.180 0.000 0.847 412 G HN 0.334 nan 8.290 nan 0.000 0.553 413 S N -1.595 114.163 115.700 0.097 0.000 2.548 413 S HA 0.781 5.251 4.470 0.000 0.000 0.286 413 S C 1.376 175.979 174.600 0.006 0.000 1.098 413 S CA 0.694 58.928 58.200 0.056 0.000 0.930 413 S CB 1.792 65.025 63.200 0.055 0.000 1.070 413 S HN 2.360 nan 8.310 nan 0.000 0.480 414 S N 1.953 117.660 115.700 0.011 0.000 2.400 414 S HA -0.132 4.339 4.470 0.000 0.000 0.232 414 S C 1.592 176.171 174.600 -0.034 0.000 1.025 414 S CA 1.372 59.571 58.200 -0.002 0.000 0.993 414 S CB -1.068 62.137 63.200 0.009 0.000 0.808 414 S HN 0.724 nan 8.310 nan 0.000 0.478 415 S N 0.914 116.582 115.700 -0.052 0.000 2.447 415 S HA 0.108 4.578 4.470 0.000 0.000 0.233 415 S C 0.898 175.413 174.600 -0.141 0.000 1.006 415 S CA 0.458 58.607 58.200 -0.084 0.000 0.957 415 S CB -0.166 62.985 63.200 -0.082 0.000 0.773 415 S HN 0.536 nan 8.310 nan 0.000 0.507 416 R N 1.443 121.835 120.500 -0.180 0.000 2.534 416 R HA 0.361 4.701 4.340 0.000 0.000 0.301 416 R C -3.225 172.965 176.300 -0.183 0.000 0.961 416 R CA -2.383 53.562 56.100 -0.258 0.000 0.871 416 R CB 1.232 31.227 30.300 -0.508 0.000 1.170 416 R HN -0.037 nan 8.270 nan 0.000 0.446 417 P HA 0.040 nan 4.420 nan 0.000 0.264 417 P C -0.771 176.453 177.300 -0.126 0.000 1.193 417 P CA 0.301 63.329 63.100 -0.119 0.000 0.763 417 P CB 0.391 32.019 31.700 -0.120 0.000 0.810 418 N N -0.846 117.830 118.700 -0.040 0.000 2.604 418 N HA -0.233 4.507 4.740 0.000 0.000 0.246 418 N C -0.064 175.457 175.510 0.018 0.000 1.190 418 N CA 1.397 54.458 53.050 0.018 0.000 0.738 418 N CB -1.666 36.855 38.487 0.056 0.000 1.125 418 N HN 0.557 nan 8.380 nan 0.000 0.561 419 S N -0.754 114.914 115.700 -0.054 0.000 2.580 419 S HA 0.542 5.012 4.470 0.000 0.000 0.266 419 S C 0.891 175.562 174.600 0.117 0.000 1.354 419 S CA -0.003 58.199 58.200 0.004 0.000 1.008 419 S CB 1.529 64.720 63.200 -0.015 0.000 0.898 419 S HN 1.129 nan 8.310 nan 0.000 0.555 420 G N -0.263 108.629 108.800 0.154 0.000 2.627 420 G HA2 0.470 4.430 3.960 0.000 0.000 0.680 420 G HA3 0.470 4.430 3.960 0.000 0.000 0.680 420 G C -1.418 173.366 174.900 -0.194 0.000 1.341 420 G CA -0.508 44.646 45.100 0.089 0.000 0.835 420 G HN 1.930 nan 8.290 nan 0.000 0.643 421 L N -1.512 119.657 121.223 -0.091 0.000 2.838 421 L HA 1.068 5.408 4.340 0.000 0.000 0.266 421 L C -0.339 176.573 176.870 0.070 0.000 1.040 421 L CA -0.767 53.944 54.840 -0.214 0.000 0.906 421 L CB 1.343 43.334 42.059 -0.112 0.000 1.501 421 L HN 2.436 nan 8.230 nan 0.000 0.407 422 A N 0.226 123.009 122.820 -0.061 0.000 2.385 422 A HA 0.819 5.139 4.320 0.000 0.000 0.290 422 A C -0.616 176.720 177.584 -0.413 0.000 1.094 422 A CA -0.331 51.490 52.037 -0.360 0.000 0.729 422 A CB 1.220 19.544 19.000 -1.127 0.000 1.194 422 A HN 0.744 nan 8.150 nan 0.000 0.442 423 T N 2.814 117.022 114.554 -0.577 0.000 2.829 423 T HA 0.686 5.036 4.350 0.000 0.000 0.282 423 T C -0.438 173.799 174.700 -0.772 0.000 0.990 423 T CA -0.126 61.544 62.100 -0.716 0.000 1.028 423 T CB 0.846 69.026 68.868 -1.146 0.000 0.951 423 T HN 0.685 nan 8.240 nan 0.000 0.460 424 I N 4.250 124.518 120.570 -0.503 0.000 2.752 424 I HA 0.677 4.847 4.170 0.000 0.000 0.295 424 I C -1.612 174.340 176.117 -0.274 0.000 1.219 424 I CA -1.258 59.814 61.300 -0.381 0.000 1.030 424 I CB 1.650 39.526 38.000 -0.207 0.000 1.259 424 I HN 0.840 nan 8.210 nan 0.000 0.423 425 M N 4.449 123.911 119.600 -0.231 0.000 2.721 425 M HA 0.665 5.145 4.480 0.000 0.000 0.271 425 M C -1.577 174.679 176.300 -0.073 0.000 1.259 425 M CA -0.687 54.523 55.300 -0.150 0.000 0.835 425 M CB 2.075 34.566 32.600 -0.182 0.000 1.689 425 M HN 0.392 nan 8.290 nan 0.000 0.470 426 S N 0.224 115.912 115.700 -0.021 0.000 2.536 426 S HA 0.498 4.968 4.470 0.000 0.000 0.271 426 S C -0.969 173.713 174.600 0.137 0.000 1.134 426 S CA -0.573 57.660 58.200 0.056 0.000 0.897 426 S CB 1.383 64.602 63.200 0.032 0.000 1.094 426 S HN 0.957 nan 8.310 nan 0.000 0.473 427 N N 2.518 121.372 118.700 0.256 0.000 2.214 427 N HA 0.278 5.019 4.740 0.000 0.000 0.214 427 N C 0.483 176.251 175.510 0.431 0.000 1.132 427 N CA 0.086 53.401 53.050 0.441 0.000 0.856 427 N CB 0.684 39.516 38.487 0.574 0.000 1.020 427 N HN 0.597 nan 8.380 nan 0.000 0.509 428 G N -0.061 108.909 108.800 0.284 0.000 3.085 428 G HA2 0.534 4.494 3.960 0.000 0.000 0.264 428 G HA3 0.534 4.494 3.960 0.000 0.000 0.264 428 G C -3.054 171.937 174.900 0.152 0.000 1.206 428 G CA -1.237 43.999 45.100 0.227 0.000 0.809 428 G HN -0.032 nan 8.290 nan 0.000 0.592 429 P HA 0.239 nan 4.420 nan 0.000 0.269 429 P C 0.616 177.947 177.300 0.052 0.000 1.211 429 P CA 0.338 63.489 63.100 0.085 0.000 0.781 429 P CB 0.496 32.249 31.700 0.089 0.000 0.877 430 G N 0.213 109.036 108.800 0.038 0.000 2.653 430 G HA2 0.538 4.498 3.960 0.000 0.000 0.265 430 G HA3 0.538 4.498 3.960 0.000 0.000 0.265 430 G C -0.031 174.854 174.900 -0.026 0.000 1.237 430 G CA 0.080 45.191 45.100 0.018 0.000 0.946 430 G HN 0.745 nan 8.290 nan 0.000 0.522 431 G N -1.790 106.982 108.800 -0.046 0.000 2.340 431 G HA2 0.640 4.600 3.960 0.000 0.000 0.299 431 G HA3 0.640 4.600 3.960 0.000 0.000 0.299 431 G C -0.722 174.052 174.900 -0.209 0.000 1.291 431 G CA 0.420 45.446 45.100 -0.123 0.000 0.841 431 G HN 1.594 nan 8.290 nan 0.000 0.500 432 S N -1.043 114.428 115.700 -0.382 0.000 2.667 432 S HA 0.886 5.356 4.470 0.000 0.000 0.292 432 S C -0.970 173.327 174.600 -0.505 0.000 1.126 432 S CA -0.733 57.044 58.200 -0.705 0.000 0.881 432 S CB 2.720 65.055 63.200 -1.442 0.000 1.132 432 S HN 0.983 nan 8.310 nan 0.000 0.492 433 K N 0.296 120.376 120.400 -0.533 0.000 2.570 433 K HA 0.256 4.576 4.320 0.000 0.000 0.256 433 K C -2.199 174.217 176.600 -0.306 0.000 0.939 433 K CA -0.431 55.667 56.287 -0.315 0.000 0.833 433 K CB 1.231 33.583 32.500 -0.248 0.000 1.318 433 K HN 0.769 nan 8.250 nan 0.000 0.433 434 W N 5.466 126.675 121.300 -0.151 0.000 2.311 434 W HA 0.368 5.028 4.660 0.000 0.000 0.310 434 W C 0.184 176.697 176.519 -0.011 0.000 1.274 434 W CA -0.169 57.166 57.345 -0.017 0.000 1.215 434 W CB 0.812 30.328 29.460 0.093 0.000 1.227 434 W HN 0.271 nan 8.180 nan 0.000 0.523 435 M N 3.442 123.112 119.600 0.118 0.000 2.550 435 M HA 0.252 4.733 4.480 0.000 0.000 0.292 435 M C -1.254 174.792 176.300 -0.423 0.000 1.221 435 M CA -1.305 53.764 55.300 -0.386 0.000 0.873 435 M CB 2.381 34.592 32.600 -0.647 0.000 1.727 435 M HN 0.274 nan 8.290 nan 0.000 0.459 436 Y N 1.596 121.308 120.300 -0.980 0.000 2.316 436 Y HA 0.444 4.994 4.550 0.000 0.000 0.331 436 Y C 0.350 175.892 175.900 -0.597 0.000 1.083 436 Y CA -0.285 57.030 58.100 -1.308 0.000 1.206 436 Y CB 1.003 38.522 38.460 -1.568 0.000 1.195 436 Y HN 0.408 nan 8.280 nan 0.000 0.497 437 V N 2.323 121.623 119.914 -1.022 0.000 3.253 437 V HA 0.653 4.773 4.120 0.000 0.000 0.320 437 V C 0.246 175.965 176.094 -0.625 0.000 1.442 437 V CA 0.101 62.060 62.300 -0.568 0.000 1.097 437 V CB -0.164 31.427 31.823 -0.385 0.000 1.008 437 V HN 1.402 nan 8.190 nan 0.000 0.463 438 G N 1.400 109.358 108.800 -1.403 0.000 3.445 438 G HA2 -0.158 3.802 3.960 0.000 0.000 0.686 438 G HA3 -0.158 3.802 3.960 0.000 0.000 0.686 438 G C 0.128 174.799 174.900 -0.381 0.000 1.113 438 G CA 0.033 44.725 45.100 -0.680 0.000 0.974 438 G HN 0.574 nan 8.290 nan 0.000 0.492 439 R N 1.398 121.852 120.500 -0.076 0.000 2.211 439 R HA -0.179 4.161 4.340 0.000 0.000 0.240 439 R C 2.657 178.981 176.300 0.040 0.000 1.144 439 R CA 2.114 58.258 56.100 0.073 0.000 0.992 439 R CB -0.030 30.399 30.300 0.216 0.000 0.869 439 R HN 0.742 nan 8.270 nan 0.000 0.462 440 Q N -0.491 119.332 119.800 0.038 0.000 2.436 440 Q HA -0.091 4.249 4.340 0.000 0.000 0.209 440 Q C 0.140 176.169 176.000 0.049 0.000 0.965 440 Q CA 0.960 56.795 55.803 0.053 0.000 0.910 440 Q CB -0.001 28.779 28.738 0.070 0.000 0.980 440 Q HN 0.358 nan 8.270 nan 0.000 0.491 441 N N 1.006 119.717 118.700 0.018 0.000 2.235 441 N HA 0.221 4.961 4.740 0.000 0.000 0.209 441 N C -0.147 175.348 175.510 -0.025 0.000 1.122 441 N CA 0.406 53.485 53.050 0.048 0.000 0.845 441 N CB 0.699 39.248 38.487 0.103 0.000 1.004 441 N HN 0.278 nan 8.380 nan 0.000 0.499 442 A N 0.042 122.846 122.820 -0.026 0.000 2.531 442 A HA 0.407 4.727 4.320 0.000 0.000 0.236 442 A C 1.478 179.055 177.584 -0.012 0.000 1.062 442 A CA 0.959 52.979 52.037 -0.029 0.000 0.760 442 A CB -0.232 18.775 19.000 0.012 0.000 0.995 442 A HN 0.447 nan 8.150 nan 0.000 0.501 443 G N 0.869 109.652 108.800 -0.029 0.000 2.199 443 G HA2 -0.237 3.723 3.960 0.000 0.000 0.254 443 G HA3 -0.237 3.723 3.960 0.000 0.000 0.254 443 G C 0.245 175.149 174.900 0.006 0.000 0.982 443 G CA 0.650 45.745 45.100 -0.008 0.000 0.632 443 G HN 0.995 nan 8.290 nan 0.000 0.529 444 Q N 0.275 120.076 119.800 0.002 0.000 2.312 444 Q HA 0.569 4.909 4.340 0.000 0.000 0.236 444 Q C -0.431 175.604 176.000 0.057 0.000 0.965 444 Q CA 0.294 56.154 55.803 0.095 0.000 0.894 444 Q CB 0.968 29.863 28.738 0.262 0.000 1.225 444 Q HN 0.184 nan 8.270 nan 0.000 0.478 445 T N 1.357 116.027 114.554 0.194 0.000 2.791 445 T HA 0.319 4.669 4.350 0.000 0.000 0.288 445 T C -1.301 173.651 174.700 0.420 0.000 0.999 445 T CA -0.610 61.597 62.100 0.179 0.000 0.952 445 T CB 0.276 69.208 68.868 0.107 0.000 0.938 445 T HN 0.309 nan 8.240 nan 0.000 0.444 446 W N 3.138 124.476 121.300 0.063 0.000 2.469 446 W HA 0.578 5.238 4.660 0.000 0.000 0.320 446 W C 0.603 177.248 176.519 0.210 0.000 1.086 446 W CA -1.016 56.409 57.345 0.134 0.000 1.211 446 W CB 0.904 30.498 29.460 0.224 0.000 1.298 446 W HN 0.609 nan 8.180 nan 0.000 0.525 447 T N -1.220 113.534 114.554 0.333 0.000 2.907 447 T HA 0.256 4.606 4.350 0.000 0.000 0.292 447 T C -0.775 173.919 174.700 -0.011 0.000 1.043 447 T CA -0.869 61.365 62.100 0.223 0.000 1.003 447 T CB 2.249 71.164 68.868 0.078 0.000 1.084 447 T HN 0.195 nan 8.240 nan 0.000 0.483 448 D N 1.239 121.488 120.400 -0.252 0.000 2.363 448 D HA 0.090 4.730 4.640 0.000 0.000 0.263 448 D C 1.134 177.241 176.300 -0.321 0.000 1.258 448 D CA -0.360 53.311 54.000 -0.547 0.000 0.907 448 D CB 0.286 40.703 40.800 -0.639 0.000 1.107 448 D HN 0.550 nan 8.370 nan 0.000 0.495 449 L N 2.978 124.009 121.223 -0.321 0.000 2.191 449 L HA -0.188 4.152 4.340 0.000 0.000 0.212 449 L C 2.277 179.034 176.870 -0.188 0.000 1.103 449 L CA 1.548 56.243 54.840 -0.242 0.000 0.769 449 L CB -0.317 41.585 42.059 -0.261 0.000 0.908 449 L HN 0.545 nan 8.230 nan 0.000 0.438 450 T N -4.415 110.013 114.554 -0.210 0.000 3.014 450 T HA 0.059 4.409 4.350 0.000 0.000 0.263 450 T C 1.508 176.123 174.700 -0.141 0.000 1.078 450 T CA 0.693 62.695 62.100 -0.163 0.000 1.135 450 T CB 0.215 68.981 68.868 -0.169 0.000 0.895 450 T HN 0.442 nan 8.240 nan 0.000 0.480 451 G N 1.764 110.468 108.800 -0.160 0.000 2.143 451 G HA2 -0.261 3.699 3.960 0.000 0.000 0.249 451 G HA3 -0.261 3.699 3.960 0.000 0.000 0.249 451 G C 0.689 175.527 174.900 -0.103 0.000 0.981 451 G CA 0.227 45.255 45.100 -0.120 0.000 0.665 451 G HN 0.535 nan 8.290 nan 0.000 0.528 452 N N 0.572 119.200 118.700 -0.121 0.000 2.461 452 N HA 0.044 4.784 4.740 0.000 0.000 0.188 452 N C 0.266 175.735 175.510 -0.068 0.000 1.134 452 N CA 0.559 53.557 53.050 -0.086 0.000 0.878 452 N CB 0.143 38.578 38.487 -0.088 0.000 0.972 452 N HN 0.583 nan 8.380 nan 0.000 0.456 453 N N -0.928 117.720 118.700 -0.087 0.000 2.493 453 N HA 0.113 4.853 4.740 0.000 0.000 0.279 453 N C 0.276 175.769 175.510 -0.029 0.000 1.082 453 N CA -0.212 52.817 53.050 -0.034 0.000 0.963 453 N CB 1.471 39.978 38.487 0.034 0.000 1.627 453 N HN -0.011 nan 8.380 nan 0.000 0.499 454 G N 1.093 109.881 108.800 -0.020 0.000 2.712 454 G HA2 0.159 4.120 3.960 0.000 0.000 0.212 454 G HA3 0.159 4.120 3.960 0.000 0.000 0.212 454 G C 0.669 175.572 174.900 0.005 0.000 1.142 454 G CA 0.570 45.659 45.100 -0.019 0.000 0.789 454 G HN 0.755 nan 8.290 nan 0.000 0.535 455 A N 0.272 123.100 122.820 0.014 0.000 2.587 455 A HA 0.406 4.726 4.320 0.000 0.000 0.233 455 A C 0.671 178.317 177.584 0.102 0.000 1.049 455 A CA 0.706 52.729 52.037 -0.023 0.000 0.754 455 A CB 0.176 19.135 19.000 -0.069 0.000 0.977 455 A HN 0.393 nan 8.150 nan 0.000 0.509 456 S N 1.540 117.240 115.700 0.001 0.000 2.474 456 S HA 0.518 4.988 4.470 0.000 0.000 0.321 456 S C -0.692 173.877 174.600 -0.051 0.000 1.080 456 S CA -0.589 57.633 58.200 0.037 0.000 1.106 456 S CB 0.522 63.727 63.200 0.007 0.000 0.984 456 S HN 0.745 nan 8.310 nan 0.000 0.464 457 V N 5.523 125.405 119.914 -0.053 0.000 2.370 457 V HA 0.427 4.547 4.120 0.000 0.000 0.283 457 V C 0.242 176.202 176.094 -0.224 0.000 1.023 457 V CA -0.543 61.590 62.300 -0.278 0.000 0.857 457 V CB 1.521 32.962 31.823 -0.637 0.000 0.985 457 V HN 0.893 nan 8.190 nan 0.000 0.443 458 T N 6.313 120.725 114.554 -0.237 0.000 2.795 458 T HA 0.504 4.854 4.350 0.000 0.000 0.282 458 T C -0.016 174.534 174.700 -0.250 0.000 0.980 458 T CA -0.350 61.641 62.100 -0.181 0.000 1.012 458 T CB 0.829 69.641 68.868 -0.094 0.000 0.936 458 T HN 0.298 nan 8.240 nan 0.000 0.457 459 I N 4.795 125.194 120.570 -0.285 0.000 2.452 459 I HA 0.164 4.334 4.170 0.000 0.000 0.287 459 I C 0.969 177.030 176.117 -0.095 0.000 1.079 459 I CA -0.891 60.246 61.300 -0.270 0.000 1.387 459 I CB -0.432 37.334 38.000 -0.390 0.000 1.404 459 I HN 0.695 nan 8.210 nan 0.000 0.522 460 N N 4.920 123.626 118.700 0.009 0.000 2.285 460 N HA 0.081 4.822 4.740 0.000 0.000 0.262 460 N C 1.284 176.831 175.510 0.062 0.000 1.299 460 N CA 0.176 53.263 53.050 0.060 0.000 0.930 460 N CB -0.045 38.516 38.487 0.123 0.000 1.157 460 N HN 0.608 nan 8.380 nan 0.000 0.532 461 G N -1.370 107.466 108.800 0.061 0.000 2.448 461 G HA2 -0.211 3.749 3.960 0.000 0.000 0.219 461 G HA3 -0.211 3.749 3.960 0.000 0.000 0.219 461 G C 0.488 175.454 174.900 0.110 0.000 1.127 461 G CA 0.637 45.775 45.100 0.063 0.000 0.766 461 G HN 0.682 nan 8.290 nan 0.000 0.552 462 D N 0.184 120.689 120.400 0.175 0.000 2.328 462 D HA 0.200 4.840 4.640 0.000 0.000 0.226 462 D C 1.857 178.451 176.300 0.491 0.000 1.066 462 D CA 0.749 54.933 54.000 0.305 0.000 0.861 462 D CB 0.010 40.976 40.800 0.277 0.000 0.912 462 D HN 0.367 nan 8.370 nan 0.000 0.521 463 G N 0.505 109.456 108.800 0.252 0.000 2.136 463 G HA2 -0.247 3.713 3.960 0.000 0.000 0.242 463 G HA3 -0.247 3.713 3.960 0.000 0.000 0.242 463 G C -0.329 174.477 174.900 -0.157 0.000 0.989 463 G CA -0.286 44.798 45.100 -0.027 0.000 0.682 463 G HN 0.136 nan 8.290 nan 0.000 0.522 464 W N -0.376 120.936 121.300 0.019 0.000 2.578 464 W HA 0.715 5.375 4.660 0.000 0.000 0.353 464 W C 0.545 177.088 176.519 0.040 0.000 1.088 464 W CA 0.169 57.577 57.345 0.105 0.000 1.235 464 W CB 2.097 31.696 29.460 0.230 0.000 1.362 464 W HN 0.676 nan 8.180 nan 0.000 0.592 465 G N 0.632 109.513 108.800 0.134 0.000 2.733 465 G HA2 0.438 4.398 3.960 0.000 0.000 0.297 465 G HA3 0.438 4.398 3.960 0.000 0.000 0.297 465 G C -2.060 172.195 174.900 -1.075 0.000 1.422 465 G CA -0.873 43.919 45.100 -0.514 0.000 0.942 465 G HN 0.369 nan 8.290 nan 0.000 0.510 466 E N 0.877 120.085 120.200 -1.653 0.000 2.134 466 E HA 0.552 4.902 4.350 0.000 0.000 0.278 466 E C -1.079 174.702 176.600 -1.364 0.000 0.959 466 E CA -0.578 54.772 56.400 -1.749 0.000 0.783 466 E CB 0.713 29.145 29.700 -2.113 0.000 1.095 466 E HN 0.219 nan 8.360 nan 0.000 0.399 467 F N 3.834 123.296 119.950 -0.814 0.000 2.450 467 F HA 0.476 5.003 4.527 0.000 0.000 0.332 467 F C -0.319 175.101 175.800 -0.632 0.000 1.093 467 F CA -0.635 56.945 58.000 -0.700 0.000 1.003 467 F CB 0.876 39.490 39.000 -0.644 0.000 1.151 467 F HN 0.372 nan 8.300 nan 0.000 0.474 468 F N 0.143 120.029 119.950 -0.107 0.000 2.556 468 F HA 0.726 5.253 4.527 0.000 0.000 0.327 468 F C 0.214 176.083 175.800 0.114 0.000 1.059 468 F CA -0.875 57.120 58.000 -0.009 0.000 0.953 468 F CB 2.242 41.221 39.000 -0.034 0.000 1.227 468 F HN 0.325 nan 8.300 nan 0.000 0.478 469 T N 1.416 116.095 114.554 0.208 0.000 3.012 469 T HA 0.351 4.701 4.350 0.000 0.000 0.330 469 T C -1.035 173.712 174.700 0.079 0.000 1.321 469 T CA -0.837 61.330 62.100 0.111 0.000 1.067 469 T CB 0.833 69.715 68.868 0.024 0.000 1.235 469 T HN 0.527 nan 8.240 nan 0.000 0.479 470 N N 1.057 119.791 118.700 0.057 0.000 2.418 470 N HA 0.437 5.178 4.740 0.000 0.000 0.283 470 N C 0.740 176.277 175.510 0.045 0.000 1.267 470 N CA -0.258 52.822 53.050 0.049 0.000 0.975 470 N CB 0.283 38.791 38.487 0.037 0.000 1.167 470 N HN 0.835 nan 8.380 nan 0.000 0.581 471 G N -1.588 107.244 108.800 0.053 0.000 2.614 471 G HA2 0.314 4.274 3.960 0.000 0.000 0.239 471 G HA3 0.314 4.274 3.960 0.000 0.000 0.239 471 G C 0.770 175.731 174.900 0.101 0.000 1.240 471 G CA 0.113 45.258 45.100 0.075 0.000 0.842 471 G HN 0.714 nan 8.290 nan 0.000 0.584 472 G N -0.931 107.968 108.800 0.165 0.000 2.424 472 G HA2 0.031 3.991 3.960 0.000 0.000 0.290 472 G HA3 0.031 3.991 3.960 0.000 0.000 0.290 472 G C 0.463 175.458 174.900 0.159 0.000 0.912 472 G CA 1.294 46.553 45.100 0.266 0.000 1.142 472 G HN 1.451 nan 8.290 nan 0.000 0.501 473 S N -2.078 113.656 115.700 0.056 0.000 2.671 473 S HA 0.794 5.264 4.470 0.000 0.000 0.277 473 S C -0.876 173.677 174.600 -0.079 0.000 1.165 473 S CA 0.053 58.245 58.200 -0.013 0.000 0.822 473 S CB 2.449 65.649 63.200 -0.000 0.000 1.150 473 S HN 1.519 nan 8.310 nan 0.000 0.479 474 V N 1.373 121.219 119.914 -0.114 0.000 2.888 474 V HA 0.870 4.990 4.120 0.000 0.000 0.309 474 V C -1.114 174.881 176.094 -0.165 0.000 1.114 474 V CA -0.099 62.108 62.300 -0.156 0.000 0.940 474 V CB 2.074 33.781 31.823 -0.194 0.000 1.021 474 V HN 0.974 nan 8.190 nan 0.000 0.426 475 S N 3.615 119.199 115.700 -0.194 0.000 2.570 475 S HA 0.810 5.280 4.470 0.000 0.000 0.286 475 S C -1.152 173.259 174.600 -0.316 0.000 1.099 475 S CA -0.563 57.467 58.200 -0.284 0.000 0.913 475 S CB 2.040 65.048 63.200 -0.321 0.000 1.085 475 S HN 0.757 nan 8.310 nan 0.000 0.480 476 V N 3.218 122.896 119.914 -0.393 0.000 2.443 476 V HA 0.311 4.431 4.120 0.000 0.000 0.272 476 V C -1.587 174.303 176.094 -0.339 0.000 1.002 476 V CA -0.659 61.459 62.300 -0.302 0.000 0.840 476 V CB 0.025 31.712 31.823 -0.227 0.000 1.042 476 V HN 0.837 nan 8.190 nan 0.000 0.446 477 Y N 3.526 123.721 120.300 -0.175 0.000 2.359 477 Y HA 0.589 5.139 4.550 0.000 0.000 0.330 477 Y C 0.548 176.276 175.900 -0.287 0.000 1.143 477 Y CA -0.336 57.728 58.100 -0.061 0.000 1.318 477 Y CB 1.374 40.011 38.460 0.295 0.000 1.234 477 Y HN 0.521 nan 8.280 nan 0.000 0.522 478 V N -0.349 119.345 119.914 -0.367 0.000 3.206 478 V HA 0.435 4.555 4.120 0.000 0.000 0.305 478 V C -0.731 174.807 176.094 -0.927 0.000 1.257 478 V CA -1.408 60.288 62.300 -1.007 0.000 1.057 478 V CB 2.198 33.267 31.823 -1.258 0.000 1.075 478 V HN 0.821 nan 8.190 nan 0.000 0.443 479 N N 2.069 120.133 118.700 -1.059 0.000 2.968 479 N HA 0.219 4.959 4.740 0.000 0.000 0.271 479 N C 0.118 175.571 175.510 -0.095 0.000 1.174 479 N CA -0.373 52.447 53.050 -0.384 0.000 1.096 479 N CB 0.309 38.745 38.487 -0.086 0.000 1.403 479 N HN 0.886 nan 8.380 nan 0.000 0.522 480 Q N 0.000 119.740 119.800 -0.099 0.000 2.315 480 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 480 Q CA 0.000 55.795 55.803 -0.014 0.000 1.022 480 Q CB 0.000 28.692 28.738 -0.077 0.000 1.108 480 Q HN 0.000 nan 8.270 nan 0.000 0.481