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 1wpc_1_A DATA FIRST_RESID 5 DATA SEQUENCE TNGTMMQYFE WYLPNDGNHW NRLNSDASNL KSKGITAVWI PPAWKGASQN DATA SEQUENCE DVGYGAYDLY DLGEFNQKGT VRTKYGTRSQ LQAAVTSLKN NGIQVYGDVV DATA SEQUENCE MNHKGGADAT EMVRAVEVNP NNRNQEVTGE YTIEAWTRFD FPGRGNTHSS DATA SEQUENCE FKWRWYHFDG VDWDQSRRLN NRIYKFRGHG KAWDWEVDTE NGNYDYLMYA DATA SEQUENCE DIDMDHPEVV NELRNWGVWY TNTLGLDGFR IDAVKHIKYS FTRDWINHVR DATA SEQUENCE SATGKNMFAV AEFWKNDLGA IENYLQKTNW NHSVFDVPLH YNLYNASKSG DATA SEQUENCE GNYDMRNIFN GTVVQRHPSH AVTFVDNHDS QPEEALESFV EEWFKPLAYA DATA SEQUENCE LTLTREQGYP SVFYGDYYGI PTHGVPAMRS KIDPILEARQ KYAYGKQNDY DATA SEQUENCE LDHHNIIGWT REGNTAHPNS GLATIMSDGA GGSKWMFVGR NKAGQVWSDI DATA SEQUENCE TGNRTGTVTI NADGWGNFSV NGGSVSIWVN K 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.800 174.700 0.167 0.000 1.109 5 T CA 0.000 62.245 62.100 0.242 0.000 1.349 5 T CB 0.000 69.083 68.868 0.359 0.000 0.612 6 N N 2.672 121.474 118.700 0.170 0.000 2.452 6 N HA 0.436 5.176 4.740 0.000 0.000 0.266 6 N C 0.236 175.755 175.510 0.015 0.000 1.175 6 N CA 0.368 53.421 53.050 0.005 0.000 0.945 6 N CB 1.125 39.519 38.487 -0.155 0.000 1.063 6 N HN 0.508 nan 8.380 nan 0.000 0.472 7 G N 0.794 109.583 108.800 -0.018 0.000 2.420 7 G HA2 0.472 4.432 3.960 0.000 0.000 0.284 7 G HA3 0.472 4.432 3.960 0.000 0.000 0.284 7 G C -0.569 174.451 174.900 0.200 0.000 1.177 7 G CA -0.196 44.916 45.100 0.021 0.000 0.841 7 G HN 0.377 nan 8.290 nan 0.000 0.527 8 T N 1.955 116.660 114.554 0.252 0.000 3.011 8 T HA 0.438 4.789 4.350 0.000 0.000 0.303 8 T C 0.170 174.989 174.700 0.198 0.000 0.997 8 T CA -0.453 61.799 62.100 0.253 0.000 1.007 8 T CB 1.329 70.275 68.868 0.130 0.000 1.017 8 T HN 0.773 nan 8.240 nan 0.000 0.443 9 M N 2.408 122.082 119.600 0.124 0.000 2.573 9 M HA 0.835 5.315 4.480 0.000 0.000 0.309 9 M C -0.687 175.708 176.300 0.158 0.000 1.202 9 M CA -0.892 54.461 55.300 0.089 0.000 0.975 9 M CB 1.979 34.587 32.600 0.012 0.000 1.600 9 M HN 0.620 nan 8.290 nan 0.000 0.479 10 M N 2.085 121.809 119.600 0.207 0.000 2.326 10 M HA 0.316 4.797 4.480 0.000 0.000 0.292 10 M C -1.424 175.086 176.300 0.351 0.000 1.081 10 M CA -0.394 55.050 55.300 0.241 0.000 0.919 10 M CB 2.516 35.202 32.600 0.144 0.000 1.634 10 M HN 0.932 nan 8.290 nan 0.000 0.451 11 Q N 3.341 123.333 119.800 0.321 0.000 2.369 11 Q HA 0.057 4.398 4.340 0.000 0.000 0.247 11 Q C -1.465 174.563 176.000 0.047 0.000 1.083 11 Q CA -0.027 55.790 55.803 0.024 0.000 0.905 11 Q CB 0.432 29.005 28.738 -0.275 0.000 1.305 11 Q HN 0.789 nan 8.270 nan 0.000 0.465 12 Y N 7.177 127.522 120.300 0.074 0.000 2.971 12 Y HA 0.168 4.719 4.550 0.000 0.000 0.384 12 Y C -1.305 174.702 175.900 0.179 0.000 1.166 12 Y CA -0.375 57.865 58.100 0.234 0.000 1.973 12 Y CB -0.403 38.199 38.460 0.236 0.000 2.082 12 Y HN 0.532 nan 8.280 nan 0.000 0.420 13 F N -1.139 118.532 119.950 -0.466 0.000 2.829 13 F HA 0.541 5.069 4.527 0.000 0.000 0.319 13 F C -1.837 173.719 175.800 -0.407 0.000 1.153 13 F CA -1.722 55.826 58.000 -0.754 0.000 0.912 13 F CB 0.756 39.346 39.000 -0.683 0.000 1.292 13 F HN -0.005 nan 8.300 nan 0.000 0.447 14 E N 1.056 121.106 120.200 -0.250 0.000 2.429 14 E HA 0.254 4.604 4.350 0.000 0.000 0.276 14 E C -0.463 176.238 176.600 0.168 0.000 0.953 14 E CA -0.970 55.460 56.400 0.050 0.000 0.787 14 E CB 1.565 31.276 29.700 0.019 0.000 1.307 14 E HN 0.817 nan 8.360 nan 0.000 0.458 15 W N 1.322 122.681 121.300 0.099 0.000 2.342 15 W HA -0.141 4.519 4.660 0.000 0.000 0.297 15 W C -0.216 176.112 176.519 -0.319 0.000 1.213 15 W CA 1.201 58.483 57.345 -0.105 0.000 1.251 15 W CB 0.112 29.411 29.460 -0.268 0.000 1.136 15 W HN 0.688 nan 8.180 nan 0.000 0.526 16 Y N 0.705 121.131 120.300 0.209 0.000 2.583 16 Y HA 0.230 4.780 4.550 0.000 0.000 0.294 16 Y C 0.948 176.851 175.900 0.006 0.000 1.170 16 Y CA -0.190 57.985 58.100 0.125 0.000 1.265 16 Y CB -0.952 37.649 38.460 0.234 0.000 1.119 16 Y HN -0.402 nan 8.280 nan 0.000 0.522 17 L N 2.123 123.333 121.223 -0.022 0.000 2.499 17 L HA 0.055 4.396 4.340 0.000 0.000 0.281 17 L C -1.980 174.830 176.870 -0.101 0.000 1.234 17 L CA -1.735 53.044 54.840 -0.103 0.000 0.839 17 L CB 0.155 42.028 42.059 -0.310 0.000 1.104 17 L HN 0.019 nan 8.230 nan 0.000 0.500 18 P HA 0.026 nan 4.420 nan 0.000 0.271 18 P C -0.791 176.421 177.300 -0.146 0.000 1.218 18 P CA -0.304 62.753 63.100 -0.072 0.000 0.780 18 P CB 0.395 32.073 31.700 -0.036 0.000 0.901 19 N N 2.259 120.869 118.700 -0.149 0.000 3.245 19 N HA -0.010 4.730 4.740 0.000 0.000 0.296 19 N C -0.100 175.320 175.510 -0.149 0.000 1.254 19 N CA -0.090 52.838 53.050 -0.204 0.000 1.190 19 N CB -0.651 37.721 38.487 -0.192 0.000 1.460 19 N HN 0.242 nan 8.380 nan 0.000 0.538 20 D N 0.028 120.349 120.400 -0.132 0.000 2.398 20 D HA 0.163 4.803 4.640 0.000 0.000 0.210 20 D C 1.169 177.422 176.300 -0.079 0.000 1.094 20 D CA 0.152 54.102 54.000 -0.083 0.000 0.839 20 D CB -0.461 40.309 40.800 -0.049 0.000 0.963 20 D HN 0.259 nan 8.370 nan 0.000 0.506 21 G N 0.857 109.581 108.800 -0.127 0.000 2.203 21 G HA2 -0.334 3.626 3.960 0.000 0.000 0.263 21 G HA3 -0.334 3.626 3.960 0.000 0.000 0.263 21 G C 0.606 175.483 174.900 -0.039 0.000 1.012 21 G CA 0.343 45.380 45.100 -0.104 0.000 0.749 21 G HN 0.421 nan 8.290 nan 0.000 0.512 22 N N -0.958 117.728 118.700 -0.024 0.000 2.235 22 N HA 0.120 4.860 4.740 0.000 0.000 0.231 22 N C 1.222 176.768 175.510 0.060 0.000 1.177 22 N CA 0.052 53.119 53.050 0.028 0.000 0.874 22 N CB 0.249 38.752 38.487 0.027 0.000 1.097 22 N HN 0.511 nan 8.380 nan 0.000 0.518 23 H N -0.728 118.274 119.070 -0.113 0.000 2.395 23 H HA 0.011 4.567 4.556 0.000 0.000 0.299 23 H C 1.468 176.812 175.328 0.026 0.000 1.070 23 H CA 1.771 57.754 56.048 -0.108 0.000 1.356 23 H CB 0.015 29.629 29.762 -0.246 0.000 1.401 23 H HN 0.260 nan 8.280 nan 0.000 0.524 24 W N 0.582 121.923 121.300 0.067 0.000 2.363 24 W HA -0.176 4.484 4.660 0.000 0.000 0.296 24 W C 2.035 178.520 176.519 -0.057 0.000 1.212 24 W CA 0.354 57.684 57.345 -0.025 0.000 1.260 24 W CB -0.058 29.409 29.460 0.012 0.000 1.131 24 W HN 0.206 nan 8.180 nan 0.000 0.530 25 N N 0.393 119.213 118.700 0.199 0.000 2.188 25 N HA -0.100 4.640 4.740 0.000 0.000 0.184 25 N C 1.588 177.130 175.510 0.053 0.000 1.018 25 N CA 1.195 54.306 53.050 0.101 0.000 0.858 25 N CB -0.642 37.892 38.487 0.079 0.000 0.989 25 N HN 0.248 nan 8.380 nan 0.000 0.426 26 R N 0.358 120.881 120.500 0.037 0.000 2.081 26 R HA -0.080 4.260 4.340 0.000 0.000 0.235 26 R C 2.063 178.386 176.300 0.038 0.000 1.131 26 R CA 0.794 56.916 56.100 0.036 0.000 0.960 26 R CB -0.492 29.835 30.300 0.045 0.000 0.856 26 R HN 0.133 nan 8.270 nan 0.000 0.436 27 L N 1.776 122.985 121.223 -0.023 0.000 2.017 27 L HA -0.185 4.155 4.340 0.000 0.000 0.208 27 L C 1.959 178.739 176.870 -0.150 0.000 1.073 27 L CA 1.777 56.482 54.840 -0.226 0.000 0.745 27 L CB -0.928 40.985 42.059 -0.243 0.000 0.894 27 L HN 0.140 nan 8.230 nan 0.000 0.432 28 N N -0.142 118.526 118.700 -0.053 0.000 2.021 28 N HA -0.243 4.497 4.740 0.000 0.000 0.198 28 N C 1.924 177.410 175.510 -0.041 0.000 1.041 28 N CA 2.260 55.284 53.050 -0.044 0.000 0.862 28 N CB -0.365 38.119 38.487 -0.006 0.000 1.048 28 N HN 0.643 nan 8.380 nan 0.000 0.427 29 S N -1.337 114.353 115.700 -0.016 0.000 2.515 29 S HA -0.049 4.421 4.470 0.000 0.000 0.231 29 S C 1.360 175.961 174.600 0.001 0.000 0.987 29 S CA 0.931 59.127 58.200 -0.006 0.000 0.936 29 S CB 0.053 63.257 63.200 0.006 0.000 0.766 29 S HN 0.258 nan 8.310 nan 0.000 0.528 30 D N 1.109 121.506 120.400 -0.004 0.000 2.350 30 D HA 0.413 5.053 4.640 0.000 0.000 0.213 30 D C 1.862 178.155 176.300 -0.012 0.000 1.031 30 D CA 0.592 54.612 54.000 0.033 0.000 0.861 30 D CB -0.029 40.843 40.800 0.120 0.000 0.926 30 D HN 0.376 nan 8.370 nan 0.000 0.520 31 A N 0.347 123.129 122.820 -0.064 0.000 1.869 31 A HA -0.253 4.067 4.320 0.000 0.000 0.218 31 A C 2.341 179.900 177.584 -0.043 0.000 1.203 31 A CA 2.804 54.794 52.037 -0.079 0.000 0.638 31 A CB -1.102 17.847 19.000 -0.085 0.000 0.831 31 A HN 0.373 nan 8.150 nan 0.000 0.450 32 S N 0.349 116.034 115.700 -0.025 0.000 2.382 32 S HA -0.251 4.219 4.470 0.000 0.000 0.228 32 S C 1.781 176.383 174.600 0.003 0.000 1.027 32 S CA 1.658 59.849 58.200 -0.014 0.000 0.991 32 S CB -0.811 62.383 63.200 -0.009 0.000 0.823 32 S HN 0.684 nan 8.310 nan 0.000 0.469 33 N N 1.969 120.683 118.700 0.024 0.000 2.084 33 N HA -0.023 4.717 4.740 0.000 0.000 0.190 33 N C 1.685 177.225 175.510 0.051 0.000 1.030 33 N CA 1.745 54.828 53.050 0.055 0.000 0.849 33 N CB -0.651 37.897 38.487 0.101 0.000 1.012 33 N HN 0.495 nan 8.380 nan 0.000 0.423 34 L N -0.267 120.977 121.223 0.034 0.000 2.012 34 L HA -0.167 4.173 4.340 0.000 0.000 0.210 34 L C 2.442 179.299 176.870 -0.021 0.000 1.073 34 L CA 1.305 56.142 54.840 -0.006 0.000 0.748 34 L CB -0.555 41.482 42.059 -0.035 0.000 0.891 34 L HN 0.217 nan 8.230 nan 0.000 0.431 35 K N 0.701 121.088 120.400 -0.022 0.000 2.057 35 K HA -0.165 4.155 4.320 0.000 0.000 0.207 35 K C 2.305 178.899 176.600 -0.009 0.000 1.049 35 K CA 1.823 58.097 56.287 -0.022 0.000 0.931 35 K CB -0.385 32.098 32.500 -0.028 0.000 0.714 35 K HN 0.359 nan 8.250 nan 0.000 0.440 36 S N -0.170 115.531 115.700 0.000 0.000 2.419 36 S HA -0.072 4.399 4.470 0.000 0.000 0.233 36 S C 1.469 176.077 174.600 0.013 0.000 1.016 36 S CA 0.732 58.937 58.200 0.007 0.000 0.974 36 S CB -0.207 63.002 63.200 0.014 0.000 0.786 36 S HN 0.139 nan 8.310 nan 0.000 0.492 37 K N 0.793 121.203 120.400 0.017 0.000 2.426 37 K HA 0.265 4.585 4.320 0.000 0.000 0.193 37 K C 1.447 178.050 176.600 0.005 0.000 1.028 37 K CA 0.706 57.007 56.287 0.023 0.000 1.047 37 K CB -0.093 32.435 32.500 0.046 0.000 0.821 37 K HN 0.643 nan 8.250 nan 0.000 0.513 38 G N 0.982 109.781 108.800 -0.002 0.000 2.192 38 G HA2 -0.159 3.801 3.960 0.000 0.000 0.193 38 G HA3 -0.159 3.801 3.960 0.000 0.000 0.193 38 G C -0.017 174.882 174.900 -0.001 0.000 0.999 38 G CA -0.551 44.551 45.100 0.003 0.000 0.659 38 G HN 0.112 nan 8.290 nan 0.000 0.503 39 I N 2.861 123.417 120.570 -0.023 0.000 2.452 39 I HA 0.295 4.465 4.170 0.000 0.000 0.287 39 I C 1.760 177.866 176.117 -0.017 0.000 1.079 39 I CA 1.210 62.496 61.300 -0.024 0.000 1.387 39 I CB 0.755 38.719 38.000 -0.059 0.000 1.404 39 I HN 0.299 nan 8.210 nan 0.000 0.522 40 T N 1.888 116.444 114.554 0.003 0.000 3.010 40 T HA 0.554 4.904 4.350 0.000 0.000 0.257 40 T C 0.429 175.090 174.700 -0.064 0.000 1.020 40 T CA -0.083 62.006 62.100 -0.018 0.000 0.938 40 T CB 0.548 69.420 68.868 0.006 0.000 1.049 40 T HN 0.645 nan 8.240 nan 0.000 0.522 41 A N 0.493 123.268 122.820 -0.076 0.000 2.574 41 A HA 0.721 5.041 4.320 0.000 0.000 0.297 41 A C -1.499 175.987 177.584 -0.165 0.000 1.062 41 A CA -0.694 51.195 52.037 -0.247 0.000 0.686 41 A CB 1.905 20.660 19.000 -0.408 0.000 1.285 41 A HN 0.236 nan 8.150 nan 0.000 0.403 42 V N 1.595 121.387 119.914 -0.204 0.000 2.531 42 V HA 0.491 4.611 4.120 0.000 0.000 0.301 42 V C -1.117 175.100 176.094 0.205 0.000 1.034 42 V CA -0.360 61.958 62.300 0.030 0.000 0.865 42 V CB 1.754 33.568 31.823 -0.016 0.000 0.995 42 V HN 0.968 nan 8.190 nan 0.000 0.424 43 W N 8.449 129.895 121.300 0.244 0.000 2.308 43 W HA 0.661 5.321 4.660 0.000 0.000 0.311 43 W C -0.286 176.496 176.519 0.440 0.000 1.088 43 W CA -1.814 55.776 57.345 0.409 0.000 1.309 43 W CB 0.534 30.304 29.460 0.517 0.000 1.229 43 W HN 0.625 nan 8.180 nan 0.000 0.427 44 I N 6.408 127.329 120.570 0.585 0.000 2.612 44 I HA 0.582 4.752 4.170 0.000 0.000 0.295 44 I C -1.824 174.331 176.117 0.063 0.000 1.011 44 I CA -2.524 58.972 61.300 0.327 0.000 1.326 44 I CB 1.110 39.294 38.000 0.307 0.000 1.427 44 I HN 0.219 nan 8.210 nan 0.000 0.537 45 P HA 0.193 nan 4.420 nan 0.000 0.272 45 P C -2.604 174.252 177.300 -0.739 0.000 1.240 45 P CA -1.290 60.905 63.100 -1.509 0.000 0.791 45 P CB -0.654 29.588 31.700 -2.429 0.000 0.978 46 P HA -0.080 nan 4.420 nan 0.000 0.260 46 P C 0.381 177.173 177.300 -0.847 0.000 1.172 46 P CA 0.799 63.179 63.100 -1.200 0.000 0.760 46 P CB -0.138 30.732 31.700 -1.384 0.000 0.773 47 A N 3.438 125.866 122.820 -0.653 0.000 2.238 47 A HA 0.122 4.442 4.320 0.000 0.000 0.210 47 A C 0.393 178.040 177.584 0.104 0.000 1.179 47 A CA -0.124 51.944 52.037 0.051 0.000 0.827 47 A CB -0.574 18.561 19.000 0.224 0.000 0.856 47 A HN 0.662 nan 8.150 nan 0.000 0.488 48 W N -0.965 120.471 121.300 0.226 0.000 2.367 48 W HA 0.705 5.365 4.660 0.000 0.000 0.369 48 W C -0.024 176.575 176.519 0.134 0.000 1.276 48 W CA -1.942 55.506 57.345 0.170 0.000 1.415 48 W CB 0.249 29.741 29.460 0.052 0.000 1.306 48 W HN -0.148 nan 8.180 nan 0.000 0.669 49 K N 1.192 121.870 120.400 0.463 0.000 2.379 49 K HA 0.420 4.740 4.320 0.000 0.000 0.284 49 K C 0.240 177.078 176.600 0.398 0.000 1.044 49 K CA 0.352 56.855 56.287 0.360 0.000 0.974 49 K CB 0.385 33.146 32.500 0.434 0.000 0.962 49 K HN 0.715 nan 8.250 nan 0.000 0.474 50 G N 1.963 110.883 108.800 0.200 0.000 2.532 50 G HA2 0.442 4.402 3.960 0.000 0.000 0.291 50 G HA3 0.442 4.402 3.960 0.000 0.000 0.291 50 G C 0.444 175.399 174.900 0.091 0.000 1.349 50 G CA -0.197 44.995 45.100 0.154 0.000 1.038 50 G HN 0.701 nan 8.290 nan 0.000 0.518 51 A N -1.146 121.681 122.820 0.013 0.000 2.125 51 A HA 0.355 4.675 4.320 0.000 0.000 0.219 51 A C 1.404 178.919 177.584 -0.116 0.000 1.156 51 A CA 1.801 53.793 52.037 -0.075 0.000 0.671 51 A CB -0.631 18.328 19.000 -0.070 0.000 0.794 51 A HN 1.708 nan 8.150 nan 0.000 0.459 52 S N -3.529 112.120 115.700 -0.086 0.000 2.643 52 S HA 0.359 4.829 4.470 0.000 0.000 0.270 52 S C 0.303 174.840 174.600 -0.104 0.000 1.166 52 S CA 0.075 58.216 58.200 -0.098 0.000 0.815 52 S CB 0.882 64.026 63.200 -0.094 0.000 1.139 52 S HN 0.206 nan 8.310 nan 0.000 0.472 53 Q N 0.922 120.658 119.800 -0.107 0.000 2.084 53 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 53 Q C 1.151 177.024 176.000 -0.212 0.000 0.978 53 Q CA 2.219 57.941 55.803 -0.133 0.000 0.844 53 Q CB -0.356 28.317 28.738 -0.108 0.000 0.898 53 Q HN 0.816 nan 8.270 nan 0.000 0.426 54 N N 0.268 118.851 118.700 -0.195 0.000 2.370 54 N HA -0.059 4.681 4.740 0.000 0.000 0.198 54 N C -0.485 174.849 175.510 -0.293 0.000 1.156 54 N CA 0.162 53.061 53.050 -0.252 0.000 0.839 54 N CB -0.084 38.296 38.487 -0.179 0.000 0.989 54 N HN 0.134 nan 8.380 nan 0.000 0.468 55 D N 0.312 120.555 120.400 -0.260 0.000 2.389 55 D HA 0.008 4.648 4.640 0.000 0.000 0.247 55 D C 1.023 177.076 176.300 -0.411 0.000 1.128 55 D CA -0.199 53.653 54.000 -0.246 0.000 0.884 55 D CB 1.889 42.612 40.800 -0.128 0.000 1.194 55 D HN -0.164 nan 8.370 nan 0.000 0.441 56 V N 3.360 122.968 119.914 -0.510 0.000 2.720 56 V HA -0.037 4.083 4.120 0.000 0.000 0.256 56 V C 1.833 177.627 176.094 -0.500 0.000 1.082 56 V CA 1.851 63.778 62.300 -0.622 0.000 1.101 56 V CB -0.360 30.872 31.823 -0.986 0.000 0.693 56 V HN 0.957 nan 8.190 nan 0.000 0.479 57 G N -2.076 106.490 108.800 -0.390 0.000 2.336 57 G HA2 -0.244 3.716 3.960 0.000 0.000 0.194 57 G HA3 -0.244 3.716 3.960 0.000 0.000 0.194 57 G C 0.500 175.301 174.900 -0.165 0.000 0.999 57 G CA 0.144 45.009 45.100 -0.391 0.000 0.669 57 G HN 0.393 nan 8.290 nan 0.000 0.482 58 Y N 1.393 121.806 120.300 0.187 0.000 2.561 58 Y HA 0.329 4.879 4.550 0.000 0.000 0.291 58 Y C 2.372 178.488 175.900 0.360 0.000 1.141 58 Y CA 0.808 59.112 58.100 0.341 0.000 1.303 58 Y CB 0.148 38.838 38.460 0.383 0.000 1.015 58 Y HN 0.324 nan 8.280 nan 0.000 0.547 59 G N 0.476 109.455 108.800 0.299 0.000 3.717 59 G HA2 0.386 4.346 3.960 0.000 0.000 0.258 59 G HA3 0.386 4.346 3.960 0.000 0.000 0.258 59 G C 0.061 174.964 174.900 0.004 0.000 1.088 59 G CA -0.191 44.949 45.100 0.068 0.000 1.737 59 G HN 0.326 nan 8.290 nan 0.000 0.648 60 A N 0.737 123.617 122.820 0.099 0.000 2.524 60 A HA 0.209 4.529 4.320 0.000 0.000 0.271 60 A C 0.659 178.205 177.584 -0.063 0.000 1.097 60 A CA 0.024 52.079 52.037 0.030 0.000 0.791 60 A CB 0.050 18.871 19.000 -0.298 0.000 1.028 60 A HN 0.725 nan 8.150 nan 0.000 0.518 61 Y N 2.217 122.508 120.300 -0.016 0.000 2.239 61 Y HA 0.221 4.771 4.550 0.000 0.000 0.293 61 Y C 0.277 176.250 175.900 0.123 0.000 1.126 61 Y CA 1.144 59.309 58.100 0.110 0.000 1.128 61 Y CB 0.549 39.112 38.460 0.173 0.000 1.066 61 Y HN 0.548 nan 8.280 nan 0.000 0.516 62 D N 0.147 120.447 120.400 -0.168 0.000 2.421 62 D HA 0.219 4.859 4.640 0.000 0.000 0.254 62 D C 0.210 176.346 176.300 -0.274 0.000 1.238 62 D CA -0.159 53.618 54.000 -0.372 0.000 0.919 62 D CB 0.755 41.357 40.800 -0.330 0.000 1.152 62 D HN 0.326 nan 8.370 nan 0.000 0.552 63 L N 2.590 123.430 121.223 -0.637 0.000 2.456 63 L HA -0.079 4.261 4.340 0.000 0.000 0.224 63 L C 0.878 177.620 176.870 -0.213 0.000 1.148 63 L CA 0.758 55.147 54.840 -0.752 0.000 0.825 63 L CB -0.266 40.698 42.059 -1.825 0.000 0.937 63 L HN 0.485 nan 8.230 nan 0.000 0.450 64 Y N -1.494 118.713 120.300 -0.154 0.000 2.457 64 Y HA 0.091 4.642 4.550 0.000 0.000 0.263 64 Y C 0.706 176.760 175.900 0.257 0.000 1.164 64 Y CA -0.411 57.613 58.100 -0.127 0.000 1.274 64 Y CB 0.254 38.448 38.460 -0.443 0.000 1.097 64 Y HN 0.002 nan 8.280 nan 0.000 0.523 65 D N 0.681 121.341 120.400 0.434 0.000 2.493 65 D HA 0.208 4.848 4.640 0.000 0.000 0.235 65 D C -0.320 176.277 176.300 0.495 0.000 1.117 65 D CA -0.091 54.261 54.000 0.586 0.000 0.930 65 D CB 0.200 41.321 40.800 0.535 0.000 1.010 65 D HN 0.198 nan 8.370 nan 0.000 0.514 66 L N 2.869 124.374 121.223 0.471 0.000 2.939 66 L HA 0.345 4.685 4.340 0.000 0.000 0.239 66 L C 1.331 178.366 176.870 0.275 0.000 1.325 66 L CA -0.275 54.794 54.840 0.381 0.000 1.170 66 L CB -0.281 41.985 42.059 0.345 0.000 1.538 66 L HN 0.632 nan 8.230 nan 0.000 0.452 67 G N 0.810 109.767 108.800 0.263 0.000 2.212 67 G HA2 -0.281 3.679 3.960 0.000 0.000 0.255 67 G HA3 -0.281 3.679 3.960 0.000 0.000 0.255 67 G C 0.485 175.441 174.900 0.093 0.000 1.062 67 G CA 0.554 45.769 45.100 0.192 0.000 0.815 67 G HN 0.636 nan 8.290 nan 0.000 0.497 68 E N -1.426 118.781 120.200 0.012 0.000 2.421 68 E HA 0.395 4.745 4.350 0.000 0.000 0.209 68 E C 0.173 176.465 176.600 -0.514 0.000 0.871 68 E CA -0.246 55.974 56.400 -0.300 0.000 1.064 68 E CB 0.399 29.804 29.700 -0.492 0.000 1.075 68 E HN 0.376 nan 8.360 nan 0.000 0.513 69 F N 0.828 120.891 119.950 0.189 0.000 2.556 69 F HA 0.352 4.879 4.527 0.000 0.000 0.327 69 F C 0.303 176.192 175.800 0.149 0.000 1.059 69 F CA -1.318 56.781 58.000 0.165 0.000 0.953 69 F CB 0.911 40.022 39.000 0.185 0.000 1.227 69 F HN -0.206 nan 8.300 nan 0.000 0.478 70 N N 2.625 121.517 118.700 0.320 0.000 2.508 70 N HA 0.122 4.863 4.740 0.000 0.000 0.253 70 N C -1.329 174.309 175.510 0.212 0.000 1.145 70 N CA 0.153 53.326 53.050 0.205 0.000 0.973 70 N CB -0.196 38.382 38.487 0.152 0.000 1.305 70 N HN 0.637 nan 8.380 nan 0.000 0.506 71 Q N 1.816 121.742 119.800 0.211 0.000 2.359 71 Q HA 0.313 4.653 4.340 0.000 0.000 0.274 71 Q C -0.276 175.757 176.000 0.056 0.000 1.074 71 Q CA -0.896 55.017 55.803 0.183 0.000 0.810 71 Q CB 1.797 30.760 28.738 0.374 0.000 1.342 71 Q HN 0.183 nan 8.270 nan 0.000 0.427 72 K N 0.009 120.367 120.400 -0.070 0.000 3.281 72 K HA -0.203 4.118 4.320 0.000 0.000 0.295 72 K C 0.431 176.990 176.600 -0.069 0.000 1.233 72 K CA 1.066 57.267 56.287 -0.144 0.000 0.866 72 K CB -1.859 30.520 32.500 -0.201 0.000 1.265 72 K HN 1.257 nan 8.250 nan 0.000 0.482 73 G N -0.725 108.061 108.800 -0.024 0.000 2.137 73 G HA2 -0.293 3.667 3.960 0.000 0.000 0.237 73 G HA3 -0.293 3.667 3.960 0.000 0.000 0.237 73 G C 0.030 174.930 174.900 0.000 0.000 1.002 73 G CA 1.188 46.281 45.100 -0.012 0.000 0.702 73 G HN 0.858 nan 8.290 nan 0.000 0.515 74 T N -2.578 111.990 114.554 0.022 0.000 2.886 74 T HA 0.505 4.855 4.350 0.000 0.000 0.330 74 T C 0.938 175.680 174.700 0.070 0.000 1.488 74 T CA 0.430 62.547 62.100 0.029 0.000 1.054 74 T CB 1.616 70.484 68.868 -0.001 0.000 1.348 74 T HN 0.517 nan 8.240 nan 0.000 0.489 75 V N 3.003 122.957 119.914 0.066 0.000 2.403 75 V HA 0.222 4.342 4.120 0.000 0.000 0.239 75 V C 1.516 177.663 176.094 0.089 0.000 1.041 75 V CA 1.093 63.447 62.300 0.090 0.000 1.051 75 V CB -0.498 31.363 31.823 0.065 0.000 0.704 75 V HN 0.875 nan 8.190 nan 0.000 0.472 76 R N 1.727 122.264 120.500 0.061 0.000 2.707 76 R HA 0.271 4.611 4.340 0.000 0.000 0.270 76 R C 0.360 176.682 176.300 0.037 0.000 1.083 76 R CA 0.337 56.477 56.100 0.067 0.000 1.182 76 R CB 0.138 30.463 30.300 0.042 0.000 1.084 76 R HN 0.416 nan 8.270 nan 0.000 0.528 77 T N -1.830 112.749 114.554 0.042 0.000 2.867 77 T HA 0.122 4.472 4.350 0.000 0.000 0.286 77 T C 1.061 175.610 174.700 -0.251 0.000 1.022 77 T CA -0.590 61.473 62.100 -0.061 0.000 0.933 77 T CB 0.824 69.699 68.868 0.011 0.000 1.280 77 T HN 0.783 nan 8.240 nan 0.000 0.566 78 K N -0.724 119.357 120.400 -0.532 0.000 2.147 78 K HA -0.137 4.183 4.320 0.000 0.000 0.205 78 K C 1.497 177.613 176.600 -0.807 0.000 1.049 78 K CA 1.373 57.215 56.287 -0.741 0.000 0.936 78 K CB -0.346 31.501 32.500 -1.088 0.000 0.722 78 K HN 0.699 nan 8.250 nan 0.000 0.446 79 Y N -0.537 119.476 120.300 -0.479 0.000 2.490 79 Y HA 0.269 4.820 4.550 0.000 0.000 0.285 79 Y C 1.259 176.749 175.900 -0.683 0.000 1.117 79 Y CA 0.402 58.024 58.100 -0.796 0.000 1.262 79 Y CB 0.614 38.135 38.460 -1.565 0.000 1.043 79 Y HN 0.259 nan 8.280 nan 0.000 0.553 80 G N -0.656 108.058 108.800 -0.143 0.000 2.340 80 G HA2 0.214 4.174 3.960 0.000 0.000 0.282 80 G HA3 0.214 4.174 3.960 0.000 0.000 0.282 80 G C -0.710 174.390 174.900 0.335 0.000 1.312 80 G CA -0.613 44.585 45.100 0.164 0.000 0.942 80 G HN 0.164 nan 8.290 nan 0.000 0.495 81 T N -1.889 112.847 114.554 0.303 0.000 2.881 81 T HA 0.542 4.892 4.350 0.000 0.000 0.278 81 T C 1.494 176.299 174.700 0.176 0.000 0.982 81 T CA 0.457 62.677 62.100 0.200 0.000 0.989 81 T CB 1.954 70.886 68.868 0.108 0.000 1.058 81 T HN 0.882 nan 8.240 nan 0.000 0.529 82 R N 0.161 120.716 120.500 0.091 0.000 2.105 82 R HA -0.114 4.226 4.340 0.000 0.000 0.239 82 R C 2.500 178.773 176.300 -0.044 0.000 1.135 82 R CA 1.764 57.875 56.100 0.018 0.000 0.967 82 R CB -0.749 29.569 30.300 0.030 0.000 0.861 82 R HN 0.717 nan 8.270 nan 0.000 0.442 83 S N 0.270 115.965 115.700 -0.008 0.000 2.359 83 S HA -0.194 4.276 4.470 0.000 0.000 0.224 83 S C 1.857 176.438 174.600 -0.032 0.000 1.035 83 S CA 1.532 59.720 58.200 -0.020 0.000 1.018 83 S CB -0.075 63.127 63.200 0.003 0.000 0.876 83 S HN 0.504 nan 8.310 nan 0.000 0.448 84 Q N -0.013 119.800 119.800 0.022 0.000 2.119 84 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 84 Q C 2.223 178.185 176.000 -0.062 0.000 0.972 84 Q CA 1.409 57.248 55.803 0.061 0.000 0.847 84 Q CB -0.328 28.538 28.738 0.214 0.000 0.903 84 Q HN 0.511 nan 8.270 nan 0.000 0.433 85 L N 0.919 121.945 121.223 -0.328 0.000 2.017 85 L HA -0.203 4.138 4.340 0.000 0.000 0.208 85 L C 2.063 178.638 176.870 -0.492 0.000 1.073 85 L CA 1.851 56.159 54.840 -0.886 0.000 0.745 85 L CB -0.442 40.906 42.059 -1.186 0.000 0.894 85 L HN 0.144 nan 8.230 nan 0.000 0.432 86 Q N -0.546 119.070 119.800 -0.306 0.000 2.224 86 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 86 Q C 2.173 178.073 176.000 -0.167 0.000 0.970 86 Q CA 1.345 57.015 55.803 -0.221 0.000 0.865 86 Q CB -0.270 28.374 28.738 -0.157 0.000 0.922 86 Q HN 0.720 nan 8.270 nan 0.000 0.445 87 A N 1.034 123.775 122.820 -0.131 0.000 1.929 87 A HA -0.005 4.315 4.320 0.000 0.000 0.216 87 A C 2.283 179.810 177.584 -0.095 0.000 1.176 87 A CA 1.333 53.318 52.037 -0.087 0.000 0.628 87 A CB -0.462 18.510 19.000 -0.045 0.000 0.816 87 A HN 0.362 nan 8.150 nan 0.000 0.444 88 A N -0.476 122.273 122.820 -0.117 0.000 1.898 88 A HA 0.038 4.358 4.320 0.000 0.000 0.216 88 A C 2.200 179.695 177.584 -0.149 0.000 1.181 88 A CA 1.647 53.618 52.037 -0.109 0.000 0.620 88 A CB -0.880 18.074 19.000 -0.076 0.000 0.819 88 A HN 0.340 nan 8.150 nan 0.000 0.442 89 V N -0.179 119.615 119.914 -0.199 0.000 2.295 89 V HA -0.244 3.876 4.120 0.000 0.000 0.246 89 V C 2.753 178.759 176.094 -0.146 0.000 1.049 89 V CA 2.525 64.712 62.300 -0.189 0.000 1.024 89 V CB -1.268 30.422 31.823 -0.223 0.000 0.648 89 V HN 0.601 nan 8.190 nan 0.000 0.447 90 T N -0.750 113.726 114.554 -0.131 0.000 2.720 90 T HA -0.227 4.123 4.350 0.000 0.000 0.268 90 T C 2.143 176.788 174.700 -0.091 0.000 1.037 90 T CA 1.937 63.975 62.100 -0.103 0.000 1.144 90 T CB -0.329 68.486 68.868 -0.088 0.000 0.864 90 T HN 0.515 nan 8.240 nan 0.000 0.444 91 S N 0.523 116.170 115.700 -0.089 0.000 2.368 91 S HA -0.015 4.455 4.470 0.000 0.000 0.225 91 S C 2.008 176.556 174.600 -0.087 0.000 1.030 91 S CA 0.885 59.038 58.200 -0.078 0.000 0.999 91 S CB -0.451 62.705 63.200 -0.073 0.000 0.844 91 S HN 0.430 nan 8.310 nan 0.000 0.459 92 L N 0.916 122.075 121.223 -0.107 0.000 2.027 92 L HA -0.067 4.273 4.340 0.000 0.000 0.206 92 L C 2.792 179.601 176.870 -0.101 0.000 1.074 92 L CA 1.136 55.908 54.840 -0.114 0.000 0.745 92 L CB -0.462 41.515 42.059 -0.136 0.000 0.898 92 L HN 0.194 nan 8.230 nan 0.000 0.433 93 K N 0.071 120.410 120.400 -0.102 0.000 2.057 93 K HA -0.121 4.199 4.320 0.000 0.000 0.207 93 K C 1.769 178.324 176.600 -0.076 0.000 1.049 93 K CA 1.123 57.355 56.287 -0.092 0.000 0.931 93 K CB -0.567 31.876 32.500 -0.095 0.000 0.714 93 K HN 0.315 nan 8.250 nan 0.000 0.440 94 N N 1.172 119.829 118.700 -0.071 0.000 2.453 94 N HA -0.079 4.661 4.740 0.000 0.000 0.183 94 N C 0.872 176.350 175.510 -0.053 0.000 1.041 94 N CA 0.591 53.606 53.050 -0.058 0.000 0.900 94 N CB -0.082 38.373 38.487 -0.053 0.000 0.961 94 N HN 0.234 nan 8.380 nan 0.000 0.443 95 N N -0.016 118.649 118.700 -0.059 0.000 2.235 95 N HA 0.081 4.822 4.740 0.000 0.000 0.209 95 N C 0.422 175.900 175.510 -0.054 0.000 1.122 95 N CA 0.237 53.255 53.050 -0.053 0.000 0.845 95 N CB 0.802 39.257 38.487 -0.054 0.000 1.004 95 N HN 0.163 nan 8.380 nan 0.000 0.499 96 G N 1.586 110.351 108.800 -0.059 0.000 2.221 96 G HA2 -0.263 3.697 3.960 0.000 0.000 0.265 96 G HA3 -0.263 3.697 3.960 0.000 0.000 0.265 96 G C -0.069 174.790 174.900 -0.068 0.000 1.041 96 G CA 0.005 45.070 45.100 -0.059 0.000 0.807 96 G HN 0.322 nan 8.290 nan 0.000 0.502 97 I N 0.169 120.688 120.570 -0.084 0.000 2.377 97 I HA 0.291 4.461 4.170 0.000 0.000 0.293 97 I C 0.731 176.768 176.117 -0.134 0.000 0.987 97 I CA -0.804 60.433 61.300 -0.104 0.000 1.185 97 I CB 1.479 39.413 38.000 -0.110 0.000 1.341 97 I HN 0.131 nan 8.210 nan 0.000 0.455 98 Q N 4.195 123.891 119.800 -0.172 0.000 2.299 98 Q HA 0.437 4.777 4.340 0.000 0.000 0.246 98 Q C -0.997 174.811 176.000 -0.321 0.000 0.935 98 Q CA -0.517 55.155 55.803 -0.219 0.000 0.887 98 Q CB 2.205 30.809 28.738 -0.224 0.000 1.223 98 Q HN 0.391 nan 8.270 nan 0.000 0.439 99 V N 2.941 122.715 119.914 -0.233 0.000 2.409 99 V HA 0.268 4.389 4.120 0.000 0.000 0.291 99 V C -1.259 174.846 176.094 0.019 0.000 1.020 99 V CA -0.802 61.401 62.300 -0.161 0.000 0.848 99 V CB 0.527 32.279 31.823 -0.119 0.000 0.990 99 V HN 0.562 nan 8.190 nan 0.000 0.430 100 Y N 2.551 122.928 120.300 0.130 0.000 2.328 100 Y HA 0.724 5.275 4.550 0.000 0.000 0.337 100 Y C 0.789 176.864 175.900 0.292 0.000 0.966 100 Y CA -1.360 56.847 58.100 0.178 0.000 1.136 100 Y CB 1.797 40.425 38.460 0.279 0.000 1.170 100 Y HN 0.694 nan 8.280 nan 0.000 0.470 101 G N 2.301 111.359 108.800 0.430 0.000 2.377 101 G HA2 0.214 4.175 3.960 0.000 0.000 0.299 101 G HA3 0.214 4.175 3.960 0.000 0.000 0.299 101 G C -0.572 174.775 174.900 0.745 0.000 1.150 101 G CA -0.500 44.922 45.100 0.538 0.000 0.847 101 G HN 0.516 nan 8.290 nan 0.000 0.501 102 D N -0.290 120.558 120.400 0.746 0.000 2.357 102 D HA 0.327 4.967 4.640 0.000 0.000 0.242 102 D C -0.449 176.374 176.300 0.871 0.000 1.153 102 D CA 0.214 54.647 54.000 0.722 0.000 0.918 102 D CB 1.697 42.891 40.800 0.656 0.000 1.181 102 D HN 0.027 nan 8.370 nan 0.000 0.435 103 V N 2.563 122.885 119.914 0.681 0.000 2.532 103 V HA 0.186 4.306 4.120 0.000 0.000 0.294 103 V C -0.274 175.939 176.094 0.198 0.000 1.036 103 V CA -0.820 61.762 62.300 0.470 0.000 0.876 103 V CB 1.964 33.897 31.823 0.183 0.000 1.012 103 V HN 0.317 nan 8.190 nan 0.000 0.432 104 V N 6.675 126.540 119.914 -0.082 0.000 2.293 104 V HA 0.394 4.514 4.120 0.000 0.000 0.275 104 V C 0.438 176.172 176.094 -0.600 0.000 1.021 104 V CA -0.003 62.158 62.300 -0.232 0.000 0.815 104 V CB 1.294 33.082 31.823 -0.058 0.000 1.025 104 V HN 0.926 nan 8.190 nan 0.000 0.448 105 M N 2.238 121.558 119.600 -0.466 0.000 2.306 105 M HA 0.182 4.662 4.480 0.000 0.000 0.292 105 M C 1.556 177.630 176.300 -0.377 0.000 1.018 105 M CA 0.050 55.055 55.300 -0.493 0.000 1.007 105 M CB 0.202 32.557 32.600 -0.409 0.000 1.510 105 M HN 0.658 nan 8.290 nan 0.000 0.537 106 N N 1.340 119.837 118.700 -0.337 0.000 2.216 106 N HA -0.072 4.668 4.740 0.000 0.000 0.183 106 N C 0.423 175.867 175.510 -0.111 0.000 1.017 106 N CA 1.052 54.002 53.050 -0.167 0.000 0.861 106 N CB 0.380 38.863 38.487 -0.006 0.000 0.986 106 N HN 0.447 nan 8.380 nan 0.000 0.428 107 H N -2.986 116.013 119.070 -0.120 0.000 2.942 107 H HA 0.508 5.065 4.556 0.000 0.000 0.316 107 H C -1.213 173.995 175.328 -0.200 0.000 1.323 107 H CA -1.010 54.999 56.048 -0.067 0.000 1.144 107 H CB 0.813 30.578 29.762 0.006 0.000 1.866 107 H HN -0.168 nan 8.280 nan 0.000 0.545 108 K N 0.460 120.858 120.400 -0.003 0.000 2.482 108 K HA 0.512 4.832 4.320 0.000 0.000 0.251 108 K C -0.624 175.980 176.600 0.008 0.000 0.936 108 K CA -0.645 55.504 56.287 -0.230 0.000 0.791 108 K CB 2.952 35.018 32.500 -0.723 0.000 1.213 108 K HN 0.823 nan 8.250 nan 0.000 0.428 109 G N -0.751 107.939 108.800 -0.184 0.000 2.568 109 G HA2 0.550 4.510 3.960 0.000 0.000 0.313 109 G HA3 0.550 4.510 3.960 0.000 0.000 0.313 109 G C 0.325 175.223 174.900 -0.005 0.000 1.227 109 G CA -0.396 44.389 45.100 -0.525 0.000 0.979 109 G HN 0.703 nan 8.290 nan 0.000 0.486 110 G N -1.254 107.505 108.800 -0.069 0.000 2.198 110 G HA2 0.199 4.159 3.960 0.000 0.000 0.257 110 G HA3 0.199 4.159 3.960 0.000 0.000 0.257 110 G C 0.699 175.521 174.900 -0.130 0.000 1.042 110 G CA 0.500 45.538 45.100 -0.104 0.000 0.791 110 G HN 1.971 nan 8.290 nan 0.000 0.502 111 A N -0.312 122.320 122.820 -0.313 0.000 2.555 111 A HA 0.400 4.720 4.320 0.000 0.000 0.233 111 A C 1.451 178.865 177.584 -0.283 0.000 1.060 111 A CA 0.985 52.468 52.037 -0.924 0.000 0.759 111 A CB 0.330 19.003 19.000 -0.546 0.000 0.995 111 A HN 0.341 nan 8.150 nan 0.000 0.506 112 D N 0.485 120.694 120.400 -0.319 0.000 2.178 112 D HA 0.176 4.816 4.640 0.000 0.000 0.202 112 D C 0.825 177.172 176.300 0.078 0.000 0.974 112 D CA 2.033 56.001 54.000 -0.054 0.000 0.841 112 D CB 0.013 40.783 40.800 -0.048 0.000 0.953 112 D HN 0.776 nan 8.370 nan 0.000 0.478 113 A N -0.340 122.502 122.820 0.036 0.000 2.602 113 A HA 0.539 4.859 4.320 0.000 0.000 0.290 113 A C -0.263 177.168 177.584 -0.255 0.000 1.114 113 A CA -0.554 51.453 52.037 -0.051 0.000 0.683 113 A CB 1.188 20.144 19.000 -0.074 0.000 1.281 113 A HN 0.039 nan 8.150 nan 0.000 0.416 114 T N -1.276 112.946 114.554 -0.552 0.000 2.912 114 T HA 0.792 5.142 4.350 0.000 0.000 0.280 114 T C -0.330 174.181 174.700 -0.314 0.000 0.989 114 T CA -0.460 61.266 62.100 -0.624 0.000 0.995 114 T CB 1.332 69.660 68.868 -0.900 0.000 1.077 114 T HN 0.641 nan 8.240 nan 0.000 0.531 115 E N 0.287 120.328 120.200 -0.264 0.000 2.383 115 E HA 0.362 4.712 4.350 0.000 0.000 0.275 115 E C -0.857 175.576 176.600 -0.278 0.000 0.918 115 E CA -1.106 55.180 56.400 -0.189 0.000 0.764 115 E CB 1.819 31.487 29.700 -0.055 0.000 1.252 115 E HN 0.441 nan 8.360 nan 0.000 0.449 116 M N 2.201 121.632 119.600 -0.282 0.000 2.120 116 M HA 0.316 4.796 4.480 0.000 0.000 0.354 116 M C -0.641 175.349 176.300 -0.517 0.000 1.287 116 M CA -0.453 54.647 55.300 -0.334 0.000 1.103 116 M CB 0.275 32.724 32.600 -0.251 0.000 1.623 116 M HN 0.236 nan 8.290 nan 0.000 0.471 117 V N 4.589 124.146 119.914 -0.596 0.000 2.709 117 V HA 0.526 4.646 4.120 0.000 0.000 0.308 117 V C 0.171 175.872 176.094 -0.654 0.000 1.062 117 V CA -1.161 60.608 62.300 -0.885 0.000 0.901 117 V CB 2.448 33.572 31.823 -1.164 0.000 1.003 117 V HN 0.655 nan 8.190 nan 0.000 0.425 118 R N 2.533 122.653 120.500 -0.633 0.000 2.340 118 R HA 0.825 5.165 4.340 0.000 0.000 0.300 118 R C -0.112 176.013 176.300 -0.292 0.000 1.069 118 R CA 0.063 55.934 56.100 -0.382 0.000 0.984 118 R CB 1.191 31.325 30.300 -0.278 0.000 1.003 118 R HN 0.966 nan 8.270 nan 0.000 0.459 119 A N 1.620 124.290 122.820 -0.250 0.000 2.581 119 A HA 0.636 4.956 4.320 0.000 0.000 0.290 119 A C -1.084 176.405 177.584 -0.159 0.000 1.119 119 A CA -0.669 51.306 52.037 -0.103 0.000 0.670 119 A CB 1.520 20.548 19.000 0.047 0.000 1.280 119 A HN 0.439 nan 8.150 nan 0.000 0.425 120 V N -1.730 118.169 119.914 -0.025 0.000 2.789 120 V HA 0.751 4.871 4.120 0.000 0.000 0.311 120 V C -0.537 175.597 176.094 0.066 0.000 1.073 120 V CA -0.740 61.571 62.300 0.018 0.000 0.921 120 V CB 1.464 33.307 31.823 0.033 0.000 1.009 120 V HN 0.923 nan 8.190 nan 0.000 0.426 121 E N 1.734 121.988 120.200 0.090 0.000 2.349 121 E HA 0.595 4.945 4.350 0.000 0.000 0.265 121 E C -0.354 176.260 176.600 0.023 0.000 1.064 121 E CA -0.479 55.919 56.400 -0.003 0.000 0.886 121 E CB 1.978 31.674 29.700 -0.006 0.000 1.036 121 E HN 0.939 nan 8.360 nan 0.000 0.413 122 V N -0.205 119.714 119.914 0.008 0.000 3.001 122 V HA 0.423 4.543 4.120 0.000 0.000 0.314 122 V C -0.265 175.836 176.094 0.012 0.000 1.099 122 V CA -1.311 61.031 62.300 0.070 0.000 0.989 122 V CB 1.920 33.876 31.823 0.221 0.000 1.040 122 V HN 0.548 nan 8.190 nan 0.000 0.434 123 N N 2.911 121.623 118.700 0.020 0.000 2.438 123 N HA 0.270 5.011 4.740 0.000 0.000 0.267 123 N C -1.786 173.703 175.510 -0.036 0.000 1.222 123 N CA -1.608 51.435 53.050 -0.011 0.000 0.930 123 N CB 1.357 39.842 38.487 -0.004 0.000 1.083 123 N HN 0.473 nan 8.380 nan 0.000 0.476 124 P HA -0.075 nan 4.420 nan 0.000 0.218 124 P C 0.331 177.574 177.300 -0.096 0.000 1.146 124 P CA 1.114 64.169 63.100 -0.075 0.000 0.813 124 P CB 0.323 31.987 31.700 -0.060 0.000 0.778 125 N N -1.576 117.080 118.700 -0.075 0.000 2.336 125 N HA 0.016 4.756 4.740 0.000 0.000 0.189 125 N C 0.120 175.582 175.510 -0.080 0.000 1.113 125 N CA 0.517 53.517 53.050 -0.083 0.000 0.858 125 N CB -0.149 38.306 38.487 -0.053 0.000 0.970 125 N HN 0.097 nan 8.380 nan 0.000 0.471 126 N N 0.192 118.853 118.700 -0.065 0.000 2.976 126 N HA 0.138 4.878 4.740 0.000 0.000 0.220 126 N C -0.107 175.395 175.510 -0.013 0.000 1.428 126 N CA -0.190 52.835 53.050 -0.042 0.000 0.748 126 N CB 0.287 38.764 38.487 -0.017 0.000 1.484 126 N HN -0.309 nan 8.380 nan 0.000 0.578 127 R N 0.357 120.829 120.500 -0.048 0.000 2.377 127 R HA 0.156 4.496 4.340 0.000 0.000 0.207 127 R C 0.870 177.304 176.300 0.222 0.000 1.075 127 R CA 0.584 56.694 56.100 0.017 0.000 1.035 127 R CB -0.123 29.987 30.300 -0.317 0.000 0.857 127 R HN 0.443 nan 8.270 nan 0.000 0.475 128 N N 0.174 118.955 118.700 0.136 0.000 2.412 128 N HA -0.065 4.676 4.740 0.000 0.000 0.184 128 N C -0.114 175.462 175.510 0.109 0.000 1.101 128 N CA 0.288 53.433 53.050 0.159 0.000 0.881 128 N CB 0.363 38.894 38.487 0.073 0.000 0.969 128 N HN 0.354 nan 8.380 nan 0.000 0.459 129 Q N 1.504 121.358 119.800 0.089 0.000 2.372 129 Q HA 0.160 4.500 4.340 0.000 0.000 0.259 129 Q C -1.049 174.993 176.000 0.070 0.000 0.993 129 Q CA -0.390 55.448 55.803 0.060 0.000 0.854 129 Q CB 0.840 29.598 28.738 0.033 0.000 1.231 129 Q HN 0.114 nan 8.270 nan 0.000 0.462 130 E N 2.387 122.625 120.200 0.063 0.000 2.338 130 E HA 0.064 4.414 4.350 0.000 0.000 0.272 130 E C 0.519 177.147 176.600 0.046 0.000 1.029 130 E CA -0.145 56.291 56.400 0.060 0.000 0.872 130 E CB 1.368 31.097 29.700 0.048 0.000 1.015 130 E HN 0.625 nan 8.360 nan 0.000 0.417 131 V N -0.539 119.403 119.914 0.046 0.000 3.528 131 V HA 0.169 4.289 4.120 0.000 0.000 0.294 131 V C 0.333 176.458 176.094 0.052 0.000 1.404 131 V CA 0.238 62.561 62.300 0.037 0.000 1.065 131 V CB 0.017 31.853 31.823 0.022 0.000 0.904 131 V HN 0.694 nan 8.190 nan 0.000 0.435 132 T N -3.305 111.296 114.554 0.078 0.000 2.816 132 T HA 0.753 5.103 4.350 0.000 0.000 0.299 132 T C 0.334 175.104 174.700 0.117 0.000 1.230 132 T CA 0.044 62.210 62.100 0.111 0.000 1.007 132 T CB 1.359 70.352 68.868 0.208 0.000 1.289 132 T HN 0.589 nan 8.240 nan 0.000 0.508 133 G N -0.445 108.430 108.800 0.125 0.000 2.508 133 G HA2 0.487 4.447 3.960 0.000 0.000 0.278 133 G HA3 0.487 4.447 3.960 0.000 0.000 0.278 133 G C -0.557 174.442 174.900 0.165 0.000 1.389 133 G CA -0.681 44.484 45.100 0.108 0.000 1.050 133 G HN 1.024 nan 8.290 nan 0.000 0.522 134 E N -1.031 119.238 120.200 0.116 0.000 2.301 134 E HA 0.507 4.858 4.350 0.000 0.000 0.275 134 E C -1.094 175.612 176.600 0.176 0.000 1.030 134 E CA -0.631 55.821 56.400 0.087 0.000 0.852 134 E CB 0.801 30.514 29.700 0.022 0.000 1.060 134 E HN 0.505 nan 8.360 nan 0.000 0.401 135 Y N -0.665 119.620 120.300 -0.025 0.000 2.689 135 Y HA 0.394 4.944 4.550 0.000 0.000 0.333 135 Y C -1.207 174.638 175.900 -0.093 0.000 1.208 135 Y CA -1.201 56.868 58.100 -0.052 0.000 1.055 135 Y CB 0.937 39.376 38.460 -0.035 0.000 1.304 135 Y HN 0.206 nan 8.280 nan 0.000 0.455 136 T N 4.215 118.791 114.554 0.037 0.000 2.806 136 T HA 0.610 4.960 4.350 0.000 0.000 0.290 136 T C -0.102 174.515 174.700 -0.139 0.000 0.966 136 T CA -0.318 61.698 62.100 -0.139 0.000 1.060 136 T CB 0.181 68.976 68.868 -0.122 0.000 0.927 136 T HN 0.716 nan 8.240 nan 0.000 0.485 137 I N -0.224 120.156 120.570 -0.318 0.000 3.067 137 I HA 0.718 4.888 4.170 0.000 0.000 0.312 137 I C -0.415 175.501 176.117 -0.335 0.000 1.073 137 I CA -1.264 59.832 61.300 -0.340 0.000 1.016 137 I CB 2.295 39.953 38.000 -0.571 0.000 1.227 137 I HN 0.472 nan 8.210 nan 0.000 0.456 138 E N 2.781 122.788 120.200 -0.322 0.000 2.073 138 E HA 0.665 5.015 4.350 0.000 0.000 0.269 138 E C -1.172 175.232 176.600 -0.327 0.000 0.917 138 E CA -0.695 55.511 56.400 -0.323 0.000 0.757 138 E CB 1.335 30.855 29.700 -0.299 0.000 1.111 138 E HN 0.848 nan 8.360 nan 0.000 0.410 139 A N 4.191 126.843 122.820 -0.279 0.000 2.340 139 A HA 0.408 4.728 4.320 0.000 0.000 0.331 139 A C -1.336 176.168 177.584 -0.133 0.000 1.140 139 A CA -0.775 51.203 52.037 -0.099 0.000 0.801 139 A CB 0.506 19.569 19.000 0.105 0.000 1.234 139 A HN 0.768 nan 8.150 nan 0.000 0.469 140 W N 1.972 123.334 121.300 0.104 0.000 2.072 140 W HA 0.358 5.018 4.660 0.000 0.000 0.413 140 W C 0.864 177.396 176.519 0.022 0.000 0.865 140 W CA 0.461 57.833 57.345 0.046 0.000 1.579 140 W CB 0.558 30.063 29.460 0.075 0.000 1.720 140 W HN 0.784 nan 8.180 nan 0.000 0.301 141 T N -1.767 112.892 114.554 0.175 0.000 3.043 141 T HA 0.203 4.553 4.350 0.000 0.000 0.272 141 T C 0.530 175.506 174.700 0.461 0.000 0.990 141 T CA -0.550 61.704 62.100 0.258 0.000 0.897 141 T CB 0.144 69.243 68.868 0.385 0.000 1.111 141 T HN 0.206 nan 8.240 nan 0.000 0.529 142 R N 0.811 121.416 120.500 0.174 0.000 2.229 142 R HA 0.583 4.923 4.340 0.000 0.000 0.328 142 R C -1.682 174.581 176.300 -0.062 0.000 1.009 142 R CA -0.698 55.493 56.100 0.152 0.000 0.864 142 R CB 0.240 30.560 30.300 0.034 0.000 1.085 142 R HN 0.157 nan 8.270 nan 0.000 0.453 143 F N 3.207 123.160 119.950 0.005 0.000 2.460 143 F HA 0.304 4.831 4.527 0.000 0.000 0.341 143 F C 0.340 175.817 175.800 -0.539 0.000 1.130 143 F CA -0.804 56.999 58.000 -0.329 0.000 0.962 143 F CB 2.143 40.836 39.000 -0.510 0.000 1.171 143 F HN 0.551 nan 8.300 nan 0.000 0.436 144 D N 2.437 122.607 120.400 -0.384 0.000 2.479 144 D HA 0.103 4.743 4.640 0.000 0.000 0.216 144 D C -0.106 176.124 176.300 -0.116 0.000 1.110 144 D CA 0.367 54.234 54.000 -0.221 0.000 0.841 144 D CB 0.354 41.121 40.800 -0.054 0.000 1.040 144 D HN 0.395 nan 8.370 nan 0.000 0.505 145 F N 0.407 120.468 119.950 0.184 0.000 2.688 145 F HA -0.172 4.356 4.527 0.000 0.000 0.276 145 F C -1.355 174.498 175.800 0.089 0.000 1.034 145 F CA -0.402 57.688 58.000 0.151 0.000 0.991 145 F CB -1.692 37.321 39.000 0.022 0.000 1.119 145 F HN 0.108 nan 8.300 nan 0.000 0.837 146 P HA -0.168 nan 4.420 nan 0.000 0.218 146 P C 1.696 179.070 177.300 0.124 0.000 1.148 146 P CA 2.158 65.338 63.100 0.133 0.000 0.822 146 P CB 0.098 31.863 31.700 0.107 0.000 0.784 147 G N -0.509 108.393 108.800 0.170 0.000 2.623 147 G HA2 -0.125 3.835 3.960 0.000 0.000 0.214 147 G HA3 -0.125 3.835 3.960 0.000 0.000 0.214 147 G C 1.799 176.735 174.900 0.059 0.000 1.138 147 G CA 0.135 45.335 45.100 0.166 0.000 0.794 147 G HN 0.288 nan 8.290 nan 0.000 0.535 148 R N -0.603 119.812 120.500 -0.142 0.000 2.250 148 R HA 0.356 4.697 4.340 0.000 0.000 0.194 148 R C 1.673 177.735 176.300 -0.398 0.000 0.927 148 R CA 1.173 56.835 56.100 -0.731 0.000 1.052 148 R CB -0.005 29.733 30.300 -0.938 0.000 1.055 148 R HN 0.324 nan 8.270 nan 0.000 0.537 149 G N 1.183 109.909 108.800 -0.124 0.000 2.556 149 G HA2 -0.358 3.602 3.960 0.000 0.000 0.283 149 G HA3 -0.358 3.602 3.960 0.000 0.000 0.283 149 G C 0.066 174.908 174.900 -0.096 0.000 1.177 149 G CA 0.302 45.364 45.100 -0.064 0.000 0.978 149 G HN 0.425 nan 8.290 nan 0.000 0.554 150 N N 1.309 119.944 118.700 -0.109 0.000 2.230 150 N HA 0.162 4.902 4.740 0.000 0.000 0.202 150 N C 0.562 175.953 175.510 -0.198 0.000 1.119 150 N CA 0.814 53.786 53.050 -0.129 0.000 0.851 150 N CB 0.287 38.728 38.487 -0.077 0.000 0.990 150 N HN 0.567 nan 8.380 nan 0.000 0.497 151 T N 1.313 115.713 114.554 -0.257 0.000 2.908 151 T HA -0.027 4.323 4.350 0.000 0.000 0.301 151 T C 0.667 175.144 174.700 -0.371 0.000 1.019 151 T CA 0.436 62.346 62.100 -0.316 0.000 1.152 151 T CB 0.512 69.192 68.868 -0.314 0.000 0.966 151 T HN 0.380 nan 8.240 nan 0.000 0.540 152 H N -0.391 118.604 119.070 -0.125 0.000 4.880 152 H HA -0.180 4.376 4.556 0.000 0.000 0.084 152 H C 0.588 175.523 175.328 -0.654 0.000 0.577 152 H CA 1.728 57.591 56.048 -0.307 0.000 1.124 152 H CB -1.388 28.128 29.762 -0.411 0.000 0.507 152 H HN 0.687 nan 8.280 nan 0.000 0.707 153 S N -0.508 114.837 115.700 -0.590 0.000 2.560 153 S HA 0.429 4.899 4.470 0.000 0.000 0.283 153 S C 0.475 174.880 174.600 -0.325 0.000 1.141 153 S CA 0.200 58.035 58.200 -0.608 0.000 0.902 153 S CB 1.370 63.785 63.200 -1.310 0.000 1.104 153 S HN 0.491 nan 8.310 nan 0.000 0.454 154 S N 3.246 118.856 115.700 -0.150 0.000 2.557 154 S HA 0.311 4.781 4.470 0.000 0.000 0.223 154 S C 0.104 174.701 174.600 -0.005 0.000 0.969 154 S CA -0.380 57.782 58.200 -0.063 0.000 0.927 154 S CB -0.426 62.744 63.200 -0.049 0.000 0.806 154 S HN 0.627 nan 8.310 nan 0.000 0.489 155 F N 3.857 123.724 119.950 -0.139 0.000 2.504 155 F HA 0.422 4.949 4.527 0.000 0.000 0.369 155 F C 0.187 175.968 175.800 -0.032 0.000 1.082 155 F CA -0.171 57.732 58.000 -0.161 0.000 1.216 155 F CB 0.515 39.355 39.000 -0.268 0.000 1.108 155 F HN -0.102 nan 8.300 nan 0.000 0.554 156 K N 5.756 125.799 120.400 -0.596 0.000 2.207 156 K HA 0.259 4.579 4.320 0.000 0.000 0.255 156 K C -1.497 174.786 176.600 -0.529 0.000 0.941 156 K CA -0.510 55.625 56.287 -0.252 0.000 0.825 156 K CB 1.442 33.849 32.500 -0.155 0.000 1.119 156 K HN 0.597 nan 8.250 nan 0.000 0.430 157 W N 1.786 123.025 121.300 -0.103 0.000 2.496 157 W HA 0.461 5.122 4.660 0.000 0.000 0.327 157 W C 0.644 177.256 176.519 0.154 0.000 1.086 157 W CA -0.536 56.847 57.345 0.064 0.000 1.222 157 W CB 0.982 30.516 29.460 0.122 0.000 1.304 157 W HN 0.166 nan 8.180 nan 0.000 0.547 158 R N 1.836 122.473 120.500 0.228 0.000 2.869 158 R HA 0.204 4.544 4.340 0.000 0.000 0.263 158 R C 1.301 177.520 176.300 -0.135 0.000 1.066 158 R CA -0.836 55.135 56.100 -0.215 0.000 0.960 158 R CB 0.189 29.889 30.300 -1.001 0.000 1.221 158 R HN 0.862 nan 8.270 nan 0.000 0.474 159 W N 1.783 123.067 121.300 -0.027 0.000 2.325 159 W HA -0.264 4.396 4.660 0.000 0.000 0.299 159 W C 1.183 177.862 176.519 0.267 0.000 1.215 159 W CA 1.516 58.997 57.345 0.226 0.000 1.244 159 W CB -0.986 28.400 29.460 -0.124 0.000 1.140 159 W HN 0.722 nan 8.180 nan 0.000 0.523 160 Y N 0.201 119.840 120.300 -1.102 0.000 2.639 160 Y HA 0.019 4.569 4.550 0.000 0.000 0.297 160 Y C 1.696 177.392 175.900 -0.339 0.000 1.151 160 Y CA 1.530 59.021 58.100 -1.015 0.000 1.335 160 Y CB -1.914 35.710 38.460 -1.392 0.000 0.994 160 Y HN 0.110 nan 8.280 nan 0.000 0.548 161 H N -1.178 117.746 119.070 -0.244 0.000 2.539 161 H HA 0.250 4.806 4.556 0.000 0.000 0.269 161 H C -0.670 174.451 175.328 -0.344 0.000 0.980 161 H CA -0.322 55.517 56.048 -0.348 0.000 1.152 161 H CB 0.116 29.540 29.762 -0.563 0.000 1.407 161 H HN 0.202 nan 8.280 nan 0.000 0.564 162 F N -0.623 119.570 119.950 0.405 0.000 2.556 162 F HA 0.216 4.743 4.527 0.000 0.000 0.327 162 F C 0.762 176.749 175.800 0.311 0.000 1.059 162 F CA -1.072 57.156 58.000 0.380 0.000 0.953 162 F CB 1.447 40.721 39.000 0.457 0.000 1.227 162 F HN -0.115 nan 8.300 nan 0.000 0.478 163 D N 0.065 120.664 120.400 0.331 0.000 2.355 163 D HA 0.329 4.969 4.640 0.000 0.000 0.206 163 D C 0.724 176.764 176.300 -0.433 0.000 1.010 163 D CA 0.779 54.820 54.000 0.069 0.000 0.875 163 D CB 0.925 41.856 40.800 0.219 0.000 0.966 163 D HN 0.685 nan 8.370 nan 0.000 0.512 164 G N -0.482 107.993 108.800 -0.541 0.000 2.315 164 G HA2 0.420 4.380 3.960 0.000 0.000 0.294 164 G HA3 0.420 4.380 3.960 0.000 0.000 0.294 164 G C -1.409 173.389 174.900 -0.170 0.000 1.300 164 G CA -0.134 44.434 45.100 -0.888 0.000 0.843 164 G HN 0.181 nan 8.290 nan 0.000 0.527 165 V N -3.586 116.319 119.914 -0.014 0.000 3.181 165 V HA 0.882 5.003 4.120 0.000 0.000 0.307 165 V C -0.689 175.468 176.094 0.105 0.000 1.310 165 V CA 0.072 62.532 62.300 0.267 0.000 1.067 165 V CB 2.131 34.182 31.823 0.382 0.000 1.081 165 V HN 1.065 nan 8.190 nan 0.000 0.453 166 D N -1.264 119.308 120.400 0.287 0.000 2.571 166 D HA 0.193 4.833 4.640 0.000 0.000 0.239 166 D C -0.262 176.387 176.300 0.581 0.000 1.267 166 D CA 0.077 54.224 54.000 0.246 0.000 0.823 166 D CB 0.490 41.399 40.800 0.181 0.000 1.056 166 D HN 0.766 nan 8.370 nan 0.000 0.494 167 W N 1.637 123.165 121.300 0.380 0.000 3.326 167 W HA 0.288 4.948 4.660 0.000 0.000 0.333 167 W C -1.994 174.617 176.519 0.153 0.000 1.108 167 W CA -0.684 56.846 57.345 0.309 0.000 1.245 167 W CB 1.909 31.513 29.460 0.239 0.000 1.331 167 W HN -0.224 nan 8.180 nan 0.000 0.464 168 D N 4.180 124.308 120.400 -0.453 0.000 2.443 168 D HA 0.063 4.703 4.640 0.000 0.000 0.221 168 D C 0.958 176.857 176.300 -0.668 0.000 1.097 168 D CA 0.015 53.666 54.000 -0.580 0.000 0.865 168 D CB 1.658 42.094 40.800 -0.607 0.000 1.034 168 D HN 0.368 nan 8.370 nan 0.000 0.511 169 Q N 2.192 121.753 119.800 -0.398 0.000 2.297 169 Q HA -0.159 4.181 4.340 0.000 0.000 0.208 169 Q C 1.537 177.421 176.000 -0.194 0.000 0.981 169 Q CA 1.779 57.467 55.803 -0.191 0.000 0.876 169 Q CB -0.060 28.659 28.738 -0.032 0.000 0.921 169 Q HN 0.478 nan 8.270 nan 0.000 0.446 170 S N -1.703 113.856 115.700 -0.235 0.000 2.496 170 S HA 0.074 4.544 4.470 0.000 0.000 0.224 170 S C 1.573 176.082 174.600 -0.151 0.000 0.996 170 S CA 0.267 58.369 58.200 -0.163 0.000 0.927 170 S CB 0.188 63.299 63.200 -0.148 0.000 0.774 170 S HN 0.415 nan 8.310 nan 0.000 0.524 171 R N 0.186 120.556 120.500 -0.216 0.000 2.435 171 R HA 0.347 4.687 4.340 0.000 0.000 0.221 171 R C -0.250 175.902 176.300 -0.246 0.000 0.885 171 R CA -0.155 55.843 56.100 -0.171 0.000 1.018 171 R CB 0.247 30.485 30.300 -0.104 0.000 1.259 171 R HN 0.227 nan 8.270 nan 0.000 0.597 172 R N 1.578 121.756 120.500 -0.536 0.000 3.264 172 R HA -0.162 4.178 4.340 0.000 0.000 0.251 172 R C -0.844 175.183 176.300 -0.456 0.000 0.971 172 R CA 0.373 55.913 56.100 -0.932 0.000 0.658 172 R CB -2.248 27.875 30.300 -0.295 0.000 1.095 172 R HN 0.205 nan 8.270 nan 0.000 0.443 173 L N 0.511 121.552 121.223 -0.302 0.000 2.357 173 L HA 0.304 4.645 4.340 0.000 0.000 0.273 173 L C 0.805 177.775 176.870 0.165 0.000 1.080 173 L CA -0.785 54.054 54.840 -0.002 0.000 0.803 173 L CB 1.008 43.095 42.059 0.047 0.000 1.174 173 L HN 0.109 nan 8.230 nan 0.000 0.443 174 N N 0.885 119.704 118.700 0.197 0.000 2.476 174 N HA 0.178 4.918 4.740 0.000 0.000 0.275 174 N C 0.213 175.798 175.510 0.124 0.000 1.190 174 N CA -0.169 53.019 53.050 0.230 0.000 0.977 174 N CB 0.588 39.184 38.487 0.182 0.000 1.200 174 N HN 0.569 nan 8.380 nan 0.000 0.515 175 N N 0.121 118.885 118.700 0.105 0.000 2.727 175 N HA -0.208 4.532 4.740 0.000 0.000 0.249 175 N C -1.442 174.057 175.510 -0.019 0.000 1.048 175 N CA 0.672 53.745 53.050 0.038 0.000 0.714 175 N CB -0.443 38.058 38.487 0.022 0.000 0.959 175 N HN 0.366 nan 8.380 nan 0.000 0.544 176 R N 0.268 120.741 120.500 -0.045 0.000 2.803 176 R HA 0.632 4.973 4.340 0.000 0.000 0.276 176 R C -0.086 175.997 176.300 -0.362 0.000 0.978 176 R CA -0.705 55.242 56.100 -0.255 0.000 0.939 176 R CB 1.161 31.221 30.300 -0.400 0.000 1.179 176 R HN 0.262 nan 8.270 nan 0.000 0.472 177 I N 2.800 123.078 120.570 -0.487 0.000 2.478 177 I HA 0.301 4.471 4.170 0.000 0.000 0.287 177 I C -1.079 174.788 176.117 -0.417 0.000 1.042 177 I CA -0.819 60.216 61.300 -0.441 0.000 1.067 177 I CB 1.531 39.352 38.000 -0.298 0.000 1.233 177 I HN 0.394 nan 8.210 nan 0.000 0.431 178 Y N 5.241 125.495 120.300 -0.078 0.000 2.335 178 Y HA 0.374 4.924 4.550 0.000 0.000 0.339 178 Y C 0.248 176.122 175.900 -0.043 0.000 0.987 178 Y CA -0.652 57.439 58.100 -0.016 0.000 1.140 178 Y CB 1.259 39.731 38.460 0.020 0.000 1.173 178 Y HN 0.373 nan 8.280 nan 0.000 0.486 179 K N 4.342 124.780 120.400 0.062 0.000 2.240 179 K HA 0.372 4.693 4.320 0.000 0.000 0.271 179 K C -1.138 175.454 176.600 -0.014 0.000 1.018 179 K CA -0.605 55.521 56.287 -0.269 0.000 0.874 179 K CB 0.459 32.680 32.500 -0.464 0.000 1.098 179 K HN 0.398 nan 8.250 nan 0.000 0.458 180 F N 2.731 122.626 119.950 -0.092 0.000 2.553 180 F HA 0.181 4.708 4.527 0.000 0.000 0.356 180 F C 1.373 177.164 175.800 -0.015 0.000 1.142 180 F CA -0.313 57.688 58.000 0.002 0.000 1.322 180 F CB 0.241 39.364 39.000 0.206 0.000 1.126 180 F HN 0.370 nan 8.300 nan 0.000 0.599 181 R N 0.499 121.104 120.500 0.175 0.000 2.643 181 R HA 0.774 5.114 4.340 0.000 0.000 0.272 181 R C 0.203 176.620 176.300 0.195 0.000 0.995 181 R CA -0.383 55.777 56.100 0.101 0.000 1.032 181 R CB 1.474 31.781 30.300 0.012 0.000 1.126 181 R HN 0.879 nan 8.270 nan 0.000 0.505 182 G N 0.306 109.223 108.800 0.195 0.000 2.359 182 G HA2 -0.050 3.910 3.960 0.000 0.000 0.314 182 G HA3 -0.050 3.910 3.960 0.000 0.000 0.314 182 G C -1.689 173.379 174.900 0.280 0.000 1.364 182 G CA -1.043 44.253 45.100 0.326 0.000 0.978 182 G HN 0.592 nan 8.290 nan 0.000 0.615 183 H N 0.230 119.357 119.070 0.095 0.000 3.145 183 H HA 0.384 4.940 4.556 0.000 0.000 0.288 183 H C 1.618 176.961 175.328 0.024 0.000 0.969 183 H CA 1.636 57.705 56.048 0.035 0.000 1.444 183 H CB 0.398 30.159 29.762 -0.002 0.000 1.500 183 H HN 2.117 nan 8.280 nan 0.000 0.552 184 G N 2.892 111.753 108.800 0.101 0.000 2.179 184 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 184 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 184 G C 0.059 175.006 174.900 0.079 0.000 1.010 184 G CA -0.161 44.980 45.100 0.068 0.000 0.736 184 G HN 0.500 nan 8.290 nan 0.000 0.513 185 K N 0.340 120.798 120.400 0.098 0.000 2.276 185 K HA 0.715 5.036 4.320 0.000 0.000 0.285 185 K C 0.214 176.815 176.600 0.001 0.000 1.062 185 K CA 0.540 56.884 56.287 0.095 0.000 0.918 185 K CB 1.720 34.327 32.500 0.180 0.000 1.055 185 K HN 1.093 nan 8.250 nan 0.000 0.477 186 A N 3.235 126.035 122.820 -0.033 0.000 2.597 186 A HA 0.358 4.678 4.320 0.000 0.000 0.292 186 A C -1.752 175.820 177.584 -0.019 0.000 1.057 186 A CA -1.024 50.951 52.037 -0.103 0.000 0.674 186 A CB 0.385 19.387 19.000 0.004 0.000 1.278 186 A HN 0.692 nan 8.150 nan 0.000 0.416 187 W N 1.654 123.033 121.300 0.131 0.000 2.209 187 W HA 0.243 4.903 4.660 0.000 0.000 0.344 187 W C 0.063 176.690 176.519 0.180 0.000 1.285 187 W CA 0.179 57.618 57.345 0.157 0.000 1.267 187 W CB 0.460 30.016 29.460 0.161 0.000 1.167 187 W HN 0.588 nan 8.180 nan 0.000 0.574 188 D N 1.131 121.813 120.400 0.471 0.000 2.360 188 D HA 0.085 4.725 4.640 0.000 0.000 0.242 188 D C -0.549 175.996 176.300 0.409 0.000 1.184 188 D CA 0.249 54.452 54.000 0.339 0.000 0.930 188 D CB 0.741 41.681 40.800 0.234 0.000 1.161 188 D HN 0.394 nan 8.370 nan 0.000 0.447 189 W N 0.881 122.234 121.300 0.088 0.000 3.425 189 W HA 0.177 4.837 4.660 0.000 0.000 0.318 189 W C -1.025 175.499 176.519 0.010 0.000 1.201 189 W CA -0.594 56.767 57.345 0.026 0.000 1.212 189 W CB 1.537 31.027 29.460 0.049 0.000 1.355 189 W HN 0.335 nan 8.180 nan 0.000 0.515 190 E N 3.125 122.885 120.200 -0.733 0.000 2.301 190 E HA 0.471 4.821 4.350 0.000 0.000 0.275 190 E C -0.697 175.126 176.600 -1.295 0.000 1.030 190 E CA -0.267 55.124 56.400 -1.682 0.000 0.852 190 E CB 1.673 30.304 29.700 -1.782 0.000 1.060 190 E HN 0.327 nan 8.360 nan 0.000 0.401 191 V N 0.423 119.665 119.914 -1.120 0.000 3.182 191 V HA 0.407 4.527 4.120 0.000 0.000 0.308 191 V C -0.439 175.456 176.094 -0.331 0.000 1.240 191 V CA -1.222 60.698 62.300 -0.633 0.000 1.063 191 V CB 1.468 33.240 31.823 -0.085 0.000 1.076 191 V HN 0.784 nan 8.190 nan 0.000 0.446 192 D N 0.929 121.337 120.400 0.013 0.000 2.449 192 D HA 0.255 4.895 4.640 0.000 0.000 0.236 192 D C 1.268 177.716 176.300 0.246 0.000 1.149 192 D CA 0.946 55.065 54.000 0.198 0.000 0.878 192 D CB 1.455 42.319 40.800 0.107 0.000 1.198 192 D HN 1.032 nan 8.370 nan 0.000 0.446 193 T N -0.053 114.660 114.554 0.265 0.000 3.122 193 T HA 0.075 4.426 4.350 0.000 0.000 0.250 193 T C 0.691 175.474 174.700 0.139 0.000 1.067 193 T CA -0.485 61.759 62.100 0.239 0.000 0.966 193 T CB -0.236 68.786 68.868 0.257 0.000 1.002 193 T HN 0.492 nan 8.240 nan 0.000 0.542 194 E N 1.876 122.162 120.200 0.143 0.000 2.384 194 E HA 0.073 4.424 4.350 0.000 0.000 0.266 194 E C -0.197 176.278 176.600 -0.209 0.000 1.012 194 E CA 0.044 56.450 56.400 0.010 0.000 0.901 194 E CB -0.085 29.666 29.700 0.085 0.000 0.967 194 E HN 0.513 nan 8.360 nan 0.000 0.435 195 N N 2.729 121.312 118.700 -0.194 0.000 2.818 195 N HA -0.266 4.475 4.740 0.000 0.000 0.250 195 N C 0.617 176.044 175.510 -0.137 0.000 1.108 195 N CA 0.146 53.057 53.050 -0.231 0.000 0.745 195 N CB -1.233 36.978 38.487 -0.460 0.000 1.104 195 N HN 0.887 nan 8.380 nan 0.000 0.557 196 G N 0.460 109.228 108.800 -0.054 0.000 4.039 196 G HA2 -0.407 3.554 3.960 0.000 0.000 0.220 196 G HA3 -0.407 3.554 3.960 0.000 0.000 0.220 196 G C -0.121 174.803 174.900 0.040 0.000 1.391 196 G CA 0.648 45.744 45.100 -0.007 0.000 0.920 196 G HN 0.632 nan 8.290 nan 0.000 0.599 197 N N -0.734 117.965 118.700 -0.002 0.000 2.519 197 N HA 0.374 5.114 4.740 0.000 0.000 0.291 197 N C -1.014 174.488 175.510 -0.014 0.000 1.107 197 N CA -0.519 52.571 53.050 0.066 0.000 0.904 197 N CB 1.101 39.624 38.487 0.060 0.000 1.500 197 N HN 0.134 nan 8.380 nan 0.000 0.510 198 Y N 2.358 122.657 120.300 -0.002 0.000 2.645 198 Y HA 0.142 4.692 4.550 0.000 0.000 0.307 198 Y C 1.454 177.385 175.900 0.051 0.000 1.151 198 Y CA -0.557 57.552 58.100 0.015 0.000 1.291 198 Y CB -0.206 38.296 38.460 0.069 0.000 1.135 198 Y HN 0.631 nan 8.280 nan 0.000 0.523 199 D N -0.337 120.131 120.400 0.114 0.000 2.104 199 D HA -0.238 4.402 4.640 0.000 0.000 0.194 199 D C 0.211 176.524 176.300 0.022 0.000 0.994 199 D CA 1.051 55.112 54.000 0.102 0.000 0.830 199 D CB -0.240 40.671 40.800 0.185 0.000 0.959 199 D HN 0.254 nan 8.370 nan 0.000 0.452 200 Y N 0.106 120.223 120.300 -0.306 0.000 2.377 200 Y HA 0.308 4.858 4.550 0.000 0.000 0.330 200 Y C 0.613 176.453 175.900 -0.100 0.000 1.108 200 Y CA -0.270 57.695 58.100 -0.225 0.000 1.308 200 Y CB 1.005 39.190 38.460 -0.458 0.000 1.216 200 Y HN -0.002 nan 8.280 nan 0.000 0.518 201 L N 5.656 126.270 121.223 -1.015 0.000 2.775 201 L HA 0.474 4.814 4.340 0.000 0.000 0.175 201 L C -0.584 175.843 176.870 -0.739 0.000 1.110 201 L CA 0.761 55.153 54.840 -0.746 0.000 0.862 201 L CB 0.318 41.849 42.059 -0.880 0.000 1.381 201 L HN 0.734 nan 8.230 nan 0.000 0.499 202 M N -4.182 114.879 119.600 -0.898 0.000 2.833 202 M HA 0.410 4.890 4.480 0.000 0.000 0.270 202 M C -0.613 175.491 176.300 -0.327 0.000 1.209 202 M CA -0.802 54.176 55.300 -0.537 0.000 0.826 202 M CB 1.444 33.736 32.600 -0.513 0.000 1.657 202 M HN 0.109 nan 8.290 nan 0.000 0.492 203 Y N -0.536 119.714 120.300 -0.084 0.000 2.896 203 Y HA -0.173 4.377 4.550 0.000 0.000 0.462 203 Y C 0.550 176.550 175.900 0.167 0.000 1.200 203 Y CA 1.196 59.316 58.100 0.034 0.000 2.460 203 Y CB -1.625 36.813 38.460 -0.037 0.000 1.236 203 Y HN 1.111 nan 8.280 nan 0.000 0.637 204 A N 1.227 124.240 122.820 0.321 0.000 2.269 204 A HA 0.445 4.765 4.320 0.000 0.000 0.302 204 A C -0.684 177.057 177.584 0.261 0.000 1.266 204 A CA 0.125 52.217 52.037 0.091 0.000 0.894 204 A CB 0.086 18.751 19.000 -0.558 0.000 1.147 204 A HN 0.454 nan 8.150 nan 0.000 0.537 205 D N 2.870 123.511 120.400 0.402 0.000 2.339 205 D HA 0.289 4.930 4.640 0.000 0.000 0.256 205 D C 0.136 176.769 176.300 0.556 0.000 1.214 205 D CA 0.062 54.308 54.000 0.410 0.000 0.877 205 D CB 0.237 41.310 40.800 0.456 0.000 1.111 205 D HN 0.477 nan 8.370 nan 0.000 0.478 206 I N 2.873 123.674 120.570 0.385 0.000 2.648 206 I HA -0.005 4.165 4.170 0.000 0.000 0.284 206 I C 0.513 176.716 176.117 0.142 0.000 1.153 206 I CA 0.100 61.523 61.300 0.206 0.000 1.426 206 I CB 0.596 38.583 38.000 -0.023 0.000 1.381 206 I HN 0.428 nan 8.210 nan 0.000 0.571 207 D N 7.489 127.960 120.400 0.118 0.000 2.411 207 D HA 0.139 4.779 4.640 0.000 0.000 0.225 207 D C 0.679 177.003 176.300 0.040 0.000 1.156 207 D CA -0.363 53.718 54.000 0.135 0.000 0.874 207 D CB 0.884 41.806 40.800 0.203 0.000 1.034 207 D HN 0.287 nan 8.370 nan 0.000 0.502 208 M N 1.986 121.567 119.600 -0.031 0.000 2.686 208 M HA -0.016 4.464 4.480 0.000 0.000 0.246 208 M C 0.581 176.891 176.300 0.016 0.000 1.096 208 M CA 0.449 55.658 55.300 -0.152 0.000 1.076 208 M CB -0.199 32.242 32.600 -0.265 0.000 1.504 208 M HN 0.340 nan 8.290 nan 0.000 0.524 209 D N -1.194 119.259 120.400 0.088 0.000 2.323 209 D HA -0.032 4.608 4.640 0.000 0.000 0.209 209 D C 0.523 176.890 176.300 0.112 0.000 0.973 209 D CA 0.461 54.524 54.000 0.106 0.000 0.874 209 D CB -0.072 40.793 40.800 0.109 0.000 0.930 209 D HN 0.435 nan 8.370 nan 0.000 0.521 210 H N 0.658 119.754 119.070 0.042 0.000 2.800 210 H HA 0.088 4.644 4.556 0.000 0.000 0.291 210 H C -1.528 173.820 175.328 0.034 0.000 1.076 210 H CA -1.651 54.426 56.048 0.048 0.000 1.452 210 H CB 1.796 31.608 29.762 0.083 0.000 1.461 210 H HN -0.195 nan 8.280 nan 0.000 0.488 211 P HA -0.216 nan 4.420 nan 0.000 0.216 211 P C 0.904 178.322 177.300 0.197 0.000 1.153 211 P CA 1.426 64.636 63.100 0.184 0.000 0.858 211 P CB 0.287 32.052 31.700 0.108 0.000 0.789 212 E N -0.839 119.580 120.200 0.366 0.000 2.110 212 E HA -0.126 4.224 4.350 0.000 0.000 0.193 212 E C 1.914 178.409 176.600 -0.174 0.000 0.988 212 E CA 0.947 57.421 56.400 0.123 0.000 0.804 212 E CB -0.440 29.353 29.700 0.155 0.000 0.745 212 E HN 0.054 nan 8.360 nan 0.000 0.458 213 V N 0.438 120.232 119.914 -0.200 0.000 2.283 213 V HA -0.217 3.903 4.120 0.000 0.000 0.243 213 V C 2.298 178.272 176.094 -0.201 0.000 1.039 213 V CA 1.228 63.304 62.300 -0.374 0.000 1.016 213 V CB -0.280 31.410 31.823 -0.221 0.000 0.650 213 V HN 0.133 nan 8.190 nan 0.000 0.449 214 V N 0.822 120.726 119.914 -0.017 0.000 2.287 214 V HA -0.323 3.797 4.120 0.000 0.000 0.248 214 V C 2.337 178.492 176.094 0.102 0.000 1.053 214 V CA 2.631 65.033 62.300 0.171 0.000 1.027 214 V CB -1.065 30.893 31.823 0.224 0.000 0.646 214 V HN 0.694 nan 8.190 nan 0.000 0.447 215 N N 0.248 118.943 118.700 -0.008 0.000 2.069 215 N HA -0.235 4.505 4.740 0.000 0.000 0.191 215 N C 1.818 177.263 175.510 -0.108 0.000 1.031 215 N CA 1.859 54.874 53.050 -0.059 0.000 0.852 215 N CB -0.225 38.238 38.487 -0.040 0.000 1.018 215 N HN 0.493 nan 8.380 nan 0.000 0.423 216 E N 0.465 120.498 120.200 -0.278 0.000 2.051 216 E HA -0.086 4.264 4.350 0.000 0.000 0.192 216 E C 1.994 178.540 176.600 -0.091 0.000 0.991 216 E CA 1.249 57.395 56.400 -0.424 0.000 0.799 216 E CB -0.556 28.348 29.700 -1.327 0.000 0.748 216 E HN 0.502 nan 8.360 nan 0.000 0.449 217 L N -0.097 121.133 121.223 0.012 0.000 2.083 217 L HA -0.119 4.221 4.340 0.000 0.000 0.209 217 L C 2.769 179.992 176.870 0.589 0.000 1.083 217 L CA 1.363 56.389 54.840 0.310 0.000 0.752 217 L CB -0.368 41.886 42.059 0.325 0.000 0.899 217 L HN 0.108 nan 8.230 nan 0.000 0.433 218 R N -0.145 120.576 120.500 0.367 0.000 2.081 218 R HA -0.118 4.222 4.340 0.000 0.000 0.235 218 R C 2.137 178.512 176.300 0.124 0.000 1.131 218 R CA 1.356 57.527 56.100 0.118 0.000 0.960 218 R CB -0.304 29.749 30.300 -0.412 0.000 0.856 218 R HN 0.407 nan 8.270 nan 0.000 0.436 219 N N -0.029 118.751 118.700 0.133 0.000 2.166 219 N HA -0.202 4.538 4.740 0.000 0.000 0.186 219 N C 1.342 177.037 175.510 0.310 0.000 1.019 219 N CA 1.048 54.218 53.050 0.199 0.000 0.856 219 N CB -0.320 38.258 38.487 0.151 0.000 0.993 219 N HN 0.345 nan 8.380 nan 0.000 0.426 220 W N 2.062 123.477 121.300 0.191 0.000 2.388 220 W HA 0.026 4.686 4.660 0.000 0.000 0.294 220 W C 2.225 178.925 176.519 0.301 0.000 1.212 220 W CA 1.665 59.097 57.345 0.146 0.000 1.271 220 W CB -0.759 28.609 29.460 -0.155 0.000 1.126 220 W HN 0.006 nan 8.180 nan 0.000 0.535 221 G N 0.560 109.423 108.800 0.105 0.000 2.440 221 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 221 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 221 G C 1.398 176.212 174.900 -0.143 0.000 1.154 221 G CA 1.891 46.924 45.100 -0.112 0.000 0.767 221 G HN 0.257 nan 8.290 nan 0.000 0.552 222 V N -0.493 119.405 119.914 -0.027 0.000 2.307 222 V HA -0.126 3.994 4.120 0.000 0.000 0.245 222 V C 2.243 178.357 176.094 0.033 0.000 1.045 222 V CA 1.788 64.087 62.300 -0.000 0.000 1.024 222 V CB -0.661 31.200 31.823 0.063 0.000 0.651 222 V HN 0.640 nan 8.190 nan 0.000 0.449 223 W N 0.043 121.305 121.300 -0.062 0.000 2.335 223 W HA -0.292 4.369 4.660 0.000 0.000 0.311 223 W C 2.549 179.022 176.519 -0.078 0.000 1.213 223 W CA 2.020 59.357 57.345 -0.013 0.000 1.274 223 W CB -0.580 28.966 29.460 0.143 0.000 1.148 223 W HN 0.366 nan 8.180 nan 0.000 0.498 224 Y N 1.460 121.595 120.300 -0.275 0.000 2.128 224 Y HA -0.264 4.286 4.550 0.000 0.000 0.284 224 Y C 2.529 178.225 175.900 -0.341 0.000 1.154 224 Y CA 2.693 60.519 58.100 -0.457 0.000 1.149 224 Y CB -1.026 36.946 38.460 -0.814 0.000 0.976 224 Y HN -0.104 nan 8.280 nan 0.000 0.505 225 T N 0.778 115.188 114.554 -0.240 0.000 2.708 225 T HA -0.164 4.186 4.350 0.000 0.000 0.266 225 T C 1.670 176.191 174.700 -0.298 0.000 1.037 225 T CA 1.592 63.538 62.100 -0.258 0.000 1.146 225 T CB -0.291 68.512 68.868 -0.108 0.000 0.865 225 T HN 0.345 nan 8.240 nan 0.000 0.435 226 N N 0.739 119.276 118.700 -0.270 0.000 2.188 226 N HA -0.038 4.702 4.740 0.000 0.000 0.184 226 N C 2.051 177.355 175.510 -0.342 0.000 1.018 226 N CA 1.104 54.000 53.050 -0.257 0.000 0.858 226 N CB -0.689 37.688 38.487 -0.182 0.000 0.989 226 N HN 0.347 nan 8.380 nan 0.000 0.426 227 T N 1.259 115.485 114.554 -0.547 0.000 2.777 227 T HA 0.051 4.401 4.350 0.000 0.000 0.266 227 T C 1.923 176.367 174.700 -0.426 0.000 1.040 227 T CA 0.731 62.461 62.100 -0.616 0.000 1.141 227 T CB -0.002 68.156 68.868 -1.182 0.000 0.868 227 T HN 0.151 nan 8.240 nan 0.000 0.444 228 L N -0.213 120.756 121.223 -0.425 0.000 2.513 228 L HA 0.315 4.655 4.340 0.000 0.000 0.222 228 L C 1.671 178.370 176.870 -0.286 0.000 1.096 228 L CA 0.269 54.904 54.840 -0.343 0.000 0.857 228 L CB -0.179 41.651 42.059 -0.381 0.000 1.026 228 L HN 0.474 nan 8.230 nan 0.000 0.469 229 G N 1.528 110.159 108.800 -0.281 0.000 2.212 229 G HA2 -0.249 3.711 3.960 0.000 0.000 0.255 229 G HA3 -0.249 3.711 3.960 0.000 0.000 0.255 229 G C 0.081 174.849 174.900 -0.220 0.000 1.062 229 G CA -0.273 44.694 45.100 -0.221 0.000 0.815 229 G HN 0.185 nan 8.290 nan 0.000 0.497 230 L N -0.270 120.788 121.223 -0.274 0.000 2.461 230 L HA 0.255 4.595 4.340 0.000 0.000 0.272 230 L C 1.053 177.789 176.870 -0.223 0.000 1.197 230 L CA -0.192 54.491 54.840 -0.261 0.000 0.836 230 L CB 0.428 42.265 42.059 -0.369 0.000 1.105 230 L HN 0.096 nan 8.230 nan 0.000 0.477 231 D N 1.162 121.495 120.400 -0.113 0.000 2.389 231 D HA 0.215 4.855 4.640 0.000 0.000 0.206 231 D C 0.671 176.974 176.300 0.005 0.000 1.055 231 D CA 0.462 54.445 54.000 -0.028 0.000 0.856 231 D CB 1.358 42.192 40.800 0.057 0.000 0.957 231 D HN 0.729 nan 8.370 nan 0.000 0.509 232 G N -0.267 108.485 108.800 -0.080 0.000 2.489 232 G HA2 0.461 4.422 3.960 0.000 0.000 0.305 232 G HA3 0.461 4.422 3.960 0.000 0.000 0.305 232 G C -1.892 172.695 174.900 -0.520 0.000 1.311 232 G CA -0.803 44.078 45.100 -0.364 0.000 0.813 232 G HN -0.049 nan 8.290 nan 0.000 0.480 233 F N -0.537 119.401 119.950 -0.020 0.000 2.613 233 F HA 0.786 5.313 4.527 0.000 0.000 0.314 233 F C 0.108 175.869 175.800 -0.066 0.000 1.075 233 F CA -1.100 56.953 58.000 0.088 0.000 0.945 233 F CB 2.351 41.470 39.000 0.199 0.000 1.310 233 F HN 0.376 nan 8.300 nan 0.000 0.467 234 R N 2.980 123.604 120.500 0.208 0.000 2.388 234 R HA 0.524 4.864 4.340 0.000 0.000 0.314 234 R C -1.608 174.756 176.300 0.107 0.000 0.959 234 R CA -0.278 55.761 56.100 -0.100 0.000 0.851 234 R CB 0.487 30.368 30.300 -0.698 0.000 1.168 234 R HN 0.801 nan 8.270 nan 0.000 0.472 235 I N 3.509 124.127 120.570 0.080 0.000 2.312 235 I HA 0.122 4.292 4.170 0.000 0.000 0.291 235 I C 0.347 176.537 176.117 0.121 0.000 1.031 235 I CA -0.671 60.682 61.300 0.089 0.000 1.293 235 I CB 1.162 39.170 38.000 0.014 0.000 1.403 235 I HN 0.458 nan 8.210 nan 0.000 0.484 236 D N 5.635 126.133 120.400 0.165 0.000 2.389 236 D HA 0.353 4.993 4.640 0.000 0.000 0.247 236 D C 0.750 177.107 176.300 0.095 0.000 1.128 236 D CA 0.322 54.432 54.000 0.184 0.000 0.884 236 D CB 0.895 41.879 40.800 0.307 0.000 1.194 236 D HN 0.785 nan 8.370 nan 0.000 0.441 237 A N 2.665 125.536 122.820 0.085 0.000 2.640 237 A HA -0.186 4.134 4.320 0.000 0.000 0.300 237 A C 1.512 179.084 177.584 -0.020 0.000 1.499 237 A CA 0.976 53.063 52.037 0.082 0.000 0.759 237 A CB -2.264 16.850 19.000 0.189 0.000 1.048 237 A HN 1.037 nan 8.150 nan 0.000 0.450 238 V N -1.345 118.498 119.914 -0.118 0.000 2.759 238 V HA -0.203 3.917 4.120 0.000 0.000 0.256 238 V C 2.034 177.975 176.094 -0.256 0.000 1.080 238 V CA 2.294 64.517 62.300 -0.129 0.000 1.101 238 V CB -0.779 30.959 31.823 -0.142 0.000 0.698 238 V HN 0.961 nan 8.190 nan 0.000 0.477 239 K N -0.599 119.379 120.400 -0.704 0.000 2.525 239 K HA -0.044 4.276 4.320 0.000 0.000 0.192 239 K C 1.369 177.618 176.600 -0.585 0.000 1.029 239 K CA 1.167 56.947 56.287 -0.844 0.000 1.029 239 K CB -0.377 31.108 32.500 -1.690 0.000 0.814 239 K HN 0.631 nan 8.250 nan 0.000 0.503 240 H N 0.258 119.216 119.070 -0.185 0.000 2.594 240 H HA 0.336 4.892 4.556 0.000 0.000 0.279 240 H C -0.044 175.275 175.328 -0.015 0.000 1.042 240 H CA -0.197 55.772 56.048 -0.132 0.000 1.177 240 H CB 0.463 30.096 29.762 -0.216 0.000 1.524 240 H HN 0.115 nan 8.280 nan 0.000 0.537 241 I N 1.574 122.216 120.570 0.120 0.000 2.433 241 I HA 0.118 4.288 4.170 0.000 0.000 0.292 241 I C 0.477 176.733 176.117 0.231 0.000 1.001 241 I CA -0.977 60.413 61.300 0.151 0.000 1.119 241 I CB 2.568 40.661 38.000 0.156 0.000 1.289 241 I HN -0.173 nan 8.210 nan 0.000 0.438 242 K N 5.085 125.584 120.400 0.165 0.000 2.441 242 K HA -0.126 4.194 4.320 0.000 0.000 0.273 242 K C 0.376 177.166 176.600 0.316 0.000 1.090 242 K CA 0.336 56.712 56.287 0.149 0.000 1.158 242 K CB 0.315 32.908 32.500 0.156 0.000 0.847 242 K HN 0.447 nan 8.250 nan 0.000 0.483 243 Y N 1.945 122.296 120.300 0.084 0.000 2.114 243 Y HA -0.297 4.253 4.550 0.000 0.000 0.282 243 Y C 2.648 178.580 175.900 0.054 0.000 1.165 243 Y CA 1.831 59.986 58.100 0.090 0.000 1.148 243 Y CB -1.160 37.288 38.460 -0.020 0.000 0.972 243 Y HN 0.803 nan 8.280 nan 0.000 0.504 244 S N -0.296 115.529 115.700 0.207 0.000 2.419 244 S HA -0.225 4.245 4.470 0.000 0.000 0.233 244 S C 1.973 176.667 174.600 0.156 0.000 1.016 244 S CA 0.990 59.270 58.200 0.133 0.000 0.974 244 S CB -1.343 61.922 63.200 0.108 0.000 0.786 244 S HN 0.384 nan 8.310 nan 0.000 0.492 245 F N 3.147 123.159 119.950 0.105 0.000 2.102 245 F HA -0.059 4.468 4.527 0.000 0.000 0.298 245 F C 2.382 178.265 175.800 0.138 0.000 1.105 245 F CA 1.963 60.029 58.000 0.109 0.000 1.239 245 F CB -1.101 37.949 39.000 0.084 0.000 0.991 245 F HN 0.168 nan 8.300 nan 0.000 0.474 246 T N 1.193 115.763 114.554 0.027 0.000 2.708 246 T HA -0.223 4.127 4.350 0.000 0.000 0.266 246 T C 2.120 176.770 174.700 -0.082 0.000 1.037 246 T CA 1.644 63.699 62.100 -0.076 0.000 1.146 246 T CB -0.432 68.514 68.868 0.131 0.000 0.865 246 T HN 0.283 nan 8.240 nan 0.000 0.435 247 R N 1.025 121.505 120.500 -0.033 0.000 2.083 247 R HA -0.157 4.183 4.340 0.000 0.000 0.237 247 R C 1.646 177.922 176.300 -0.039 0.000 1.137 247 R CA 2.030 58.109 56.100 -0.035 0.000 0.951 247 R CB -0.303 29.983 30.300 -0.024 0.000 0.851 247 R HN 0.298 nan 8.270 nan 0.000 0.434 248 D N -0.908 119.462 120.400 -0.050 0.000 2.277 248 D HA -0.144 4.496 4.640 0.000 0.000 0.208 248 D C 1.384 177.640 176.300 -0.073 0.000 0.962 248 D CA 0.694 54.668 54.000 -0.043 0.000 0.865 248 D CB -0.340 40.453 40.800 -0.011 0.000 0.939 248 D HN 0.395 nan 8.370 nan 0.000 0.510 249 W N 1.615 122.668 121.300 -0.411 0.000 2.381 249 W HA -0.042 4.618 4.660 0.000 0.000 0.301 249 W C 1.972 178.371 176.519 -0.200 0.000 1.205 249 W CA 0.950 58.037 57.345 -0.430 0.000 1.285 249 W CB -0.290 28.692 29.460 -0.798 0.000 1.133 249 W HN -0.179 nan 8.180 nan 0.000 0.521 250 I N 1.108 121.659 120.570 -0.031 0.000 2.179 250 I HA -0.372 3.798 4.170 0.000 0.000 0.242 250 I C 2.139 178.158 176.117 -0.162 0.000 1.088 250 I CA 1.484 62.708 61.300 -0.126 0.000 1.357 250 I CB -0.804 37.169 38.000 -0.045 0.000 1.051 250 I HN 0.036 nan 8.210 nan 0.000 0.409 251 N N 0.124 118.765 118.700 -0.098 0.000 2.120 251 N HA -0.249 4.491 4.740 0.000 0.000 0.188 251 N C 1.832 177.272 175.510 -0.117 0.000 1.024 251 N CA 1.534 54.537 53.050 -0.079 0.000 0.852 251 N CB -0.650 37.816 38.487 -0.035 0.000 1.003 251 N HN 0.479 nan 8.380 nan 0.000 0.424 252 H N 0.701 119.645 119.070 -0.210 0.000 2.321 252 H HA 0.001 4.557 4.556 0.000 0.000 0.300 252 H C 1.879 177.048 175.328 -0.266 0.000 1.087 252 H CA 1.759 57.677 56.048 -0.217 0.000 1.319 252 H CB -0.165 29.456 29.762 -0.235 0.000 1.379 252 H HN -0.082 nan 8.280 nan 0.000 0.501 253 V N 0.863 120.542 119.914 -0.391 0.000 2.343 253 V HA -0.239 3.881 4.120 0.000 0.000 0.247 253 V C 2.546 178.476 176.094 -0.273 0.000 1.051 253 V CA 2.222 64.285 62.300 -0.394 0.000 1.036 253 V CB -0.500 30.988 31.823 -0.559 0.000 0.654 253 V HN 0.411 nan 8.190 nan 0.000 0.451 254 R N -0.109 120.263 120.500 -0.215 0.000 2.081 254 R HA -0.159 4.181 4.340 0.000 0.000 0.235 254 R C 2.709 178.911 176.300 -0.164 0.000 1.131 254 R CA 1.714 57.724 56.100 -0.152 0.000 0.960 254 R CB -0.573 29.663 30.300 -0.106 0.000 0.856 254 R HN 0.498 nan 8.270 nan 0.000 0.436 255 S N 0.315 115.895 115.700 -0.199 0.000 2.355 255 S HA -0.105 4.366 4.470 0.000 0.000 0.222 255 S C 2.051 176.520 174.600 -0.218 0.000 1.031 255 S CA 1.187 59.274 58.200 -0.188 0.000 0.993 255 S CB -0.123 62.964 63.200 -0.189 0.000 0.859 255 S HN 0.434 nan 8.310 nan 0.000 0.453 256 A N 0.436 123.056 122.820 -0.333 0.000 2.019 256 A HA -0.039 4.281 4.320 0.000 0.000 0.219 256 A C 2.279 179.758 177.584 -0.174 0.000 1.164 256 A CA 2.105 53.971 52.037 -0.285 0.000 0.644 256 A CB -1.027 17.727 19.000 -0.410 0.000 0.805 256 A HN 0.768 nan 8.150 nan 0.000 0.449 257 T N -5.177 109.277 114.554 -0.167 0.000 3.022 257 T HA 0.400 4.750 4.350 0.000 0.000 0.250 257 T C 1.399 176.034 174.700 -0.108 0.000 1.060 257 T CA 1.062 63.086 62.100 -0.127 0.000 1.013 257 T CB 0.070 68.859 68.868 -0.131 0.000 0.982 257 T HN 1.626 nan 8.240 nan 0.000 0.508 258 G N 1.429 110.164 108.800 -0.108 0.000 2.179 258 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 258 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 258 G C -0.139 174.712 174.900 -0.080 0.000 1.010 258 G CA 0.576 45.624 45.100 -0.086 0.000 0.736 258 G HN 0.838 nan 8.290 nan 0.000 0.513 259 K N -0.327 120.018 120.400 -0.092 0.000 2.324 259 K HA 0.458 4.778 4.320 0.000 0.000 0.253 259 K C 0.071 176.623 176.600 -0.080 0.000 0.932 259 K CA -0.967 55.269 56.287 -0.086 0.000 0.799 259 K CB 0.667 33.105 32.500 -0.104 0.000 1.154 259 K HN 0.018 nan 8.250 nan 0.000 0.425 260 N N 5.088 123.754 118.700 -0.056 0.000 3.254 260 N HA 0.033 4.773 4.740 0.000 0.000 0.308 260 N C -0.480 175.011 175.510 -0.031 0.000 1.281 260 N CA -0.175 52.852 53.050 -0.038 0.000 1.212 260 N CB 0.029 38.506 38.487 -0.017 0.000 1.478 260 N HN 0.529 nan 8.380 nan 0.000 0.548 261 M N 1.739 121.292 119.600 -0.078 0.000 2.286 261 M HA -0.062 4.418 4.480 0.000 0.000 0.365 261 M C 0.252 176.506 176.300 -0.077 0.000 1.443 261 M CA 0.207 55.425 55.300 -0.135 0.000 0.951 261 M CB -0.895 31.549 32.600 -0.261 0.000 1.961 261 M HN 0.278 nan 8.290 nan 0.000 0.468 262 F N 3.005 122.844 119.950 -0.185 0.000 2.418 262 F HA 0.512 5.040 4.527 0.000 0.000 0.341 262 F C -0.242 175.412 175.800 -0.244 0.000 1.120 262 F CA -0.589 57.296 58.000 -0.192 0.000 1.232 262 F CB 0.698 39.555 39.000 -0.239 0.000 1.175 262 F HN 0.635 nan 8.300 nan 0.000 0.569 263 A N 5.653 127.699 122.820 -1.289 0.000 2.459 263 A HA 0.619 4.939 4.320 0.000 0.000 0.296 263 A C -1.908 175.125 177.584 -0.918 0.000 1.039 263 A CA -0.641 50.928 52.037 -0.780 0.000 0.698 263 A CB 1.398 20.288 19.000 -0.183 0.000 1.261 263 A HN 0.956 nan 8.150 nan 0.000 0.405 264 V N 2.487 122.038 119.914 -0.604 0.000 2.444 264 V HA 0.786 4.906 4.120 0.000 0.000 0.294 264 V C 0.165 176.102 176.094 -0.261 0.000 1.022 264 V CA 0.090 62.105 62.300 -0.475 0.000 0.850 264 V CB 1.270 32.714 31.823 -0.631 0.000 0.992 264 V HN 1.723 nan 8.190 nan 0.000 0.426 265 A N 5.003 127.790 122.820 -0.054 0.000 2.306 265 A HA 0.654 4.975 4.320 0.000 0.000 0.314 265 A C -0.021 177.626 177.584 0.105 0.000 1.164 265 A CA -0.536 51.555 52.037 0.090 0.000 0.822 265 A CB 0.948 20.144 19.000 0.326 0.000 1.130 265 A HN 0.865 nan 8.150 nan 0.000 0.496 266 E N 2.342 122.657 120.200 0.192 0.000 1.993 266 E HA 0.234 4.584 4.350 0.000 0.000 0.271 266 E C -1.817 174.862 176.600 0.133 0.000 1.008 266 E CA -0.196 56.389 56.400 0.309 0.000 0.814 266 E CB 0.268 30.136 29.700 0.279 0.000 1.098 266 E HN 0.455 nan 8.360 nan 0.000 0.407 267 F N 6.147 126.067 119.950 -0.051 0.000 2.291 267 F HA 0.205 4.733 4.527 0.000 0.000 0.368 267 F C -0.663 175.107 175.800 -0.050 0.000 1.085 267 F CA -0.944 56.930 58.000 -0.210 0.000 1.165 267 F CB 0.396 39.125 39.000 -0.452 0.000 1.429 267 F HN 0.496 nan 8.300 nan 0.000 0.503 268 W N 9.008 130.252 121.300 -0.093 0.000 2.430 268 W HA 0.343 5.003 4.660 0.000 0.000 0.380 268 W C -0.997 175.576 176.519 0.090 0.000 1.045 268 W CA -0.454 56.915 57.345 0.040 0.000 1.547 268 W CB 0.403 29.847 29.460 -0.027 0.000 1.554 268 W HN 0.487 nan 8.180 nan 0.000 0.378 269 K N 4.248 124.590 120.400 -0.095 0.000 2.561 269 K HA 0.034 4.355 4.320 0.000 0.000 0.254 269 K C -0.589 175.967 176.600 -0.075 0.000 0.942 269 K CA -0.561 55.740 56.287 0.023 0.000 0.818 269 K CB 0.913 33.571 32.500 0.263 0.000 1.306 269 K HN 0.107 nan 8.250 nan 0.000 0.435 270 N N 3.301 121.925 118.700 -0.126 0.000 3.178 270 N HA 0.060 4.800 4.740 0.000 0.000 0.300 270 N C -1.660 173.817 175.510 -0.055 0.000 1.242 270 N CA 0.144 53.117 53.050 -0.128 0.000 1.192 270 N CB 0.213 38.469 38.487 -0.385 0.000 1.463 270 N HN 0.542 nan 8.380 nan 0.000 0.539 271 D N 2.027 122.420 120.400 -0.012 0.000 2.354 271 D HA 0.003 4.643 4.640 0.000 0.000 0.230 271 D C 0.683 176.975 176.300 -0.014 0.000 1.361 271 D CA -0.578 53.425 54.000 0.006 0.000 0.992 271 D CB 0.530 41.353 40.800 0.039 0.000 1.409 271 D HN 0.131 nan 8.370 nan 0.000 0.573 272 L N 4.152 125.373 121.223 -0.004 0.000 2.042 272 L HA 0.099 4.439 4.340 0.000 0.000 0.210 272 L C 2.058 178.913 176.870 -0.026 0.000 1.076 272 L CA 2.851 57.688 54.840 -0.005 0.000 0.749 272 L CB -0.679 41.398 42.059 0.030 0.000 0.893 272 L HN 0.556 nan 8.230 nan 0.000 0.432 273 G N -1.064 107.734 108.800 -0.004 0.000 2.446 273 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 273 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 273 G C 1.601 176.474 174.900 -0.045 0.000 1.168 273 G CA 0.994 46.094 45.100 0.000 0.000 0.771 273 G HN 0.676 nan 8.290 nan 0.000 0.551 274 A N 0.568 123.355 122.820 -0.055 0.000 1.902 274 A HA 0.086 4.406 4.320 0.000 0.000 0.217 274 A C 2.410 179.715 177.584 -0.465 0.000 1.181 274 A CA 1.283 53.266 52.037 -0.091 0.000 0.623 274 A CB -0.309 18.745 19.000 0.089 0.000 0.818 274 A HN 0.394 nan 8.150 nan 0.000 0.443 275 I N -0.487 119.752 120.570 -0.552 0.000 2.315 275 I HA -0.223 3.947 4.170 0.000 0.000 0.248 275 I C 2.443 178.271 176.117 -0.481 0.000 1.117 275 I CA 1.319 62.167 61.300 -0.753 0.000 1.404 275 I CB -0.425 37.312 38.000 -0.437 0.000 1.071 275 I HN 0.410 nan 8.210 nan 0.000 0.419 276 E N 0.734 120.764 120.200 -0.283 0.000 2.077 276 E HA -0.270 4.080 4.350 0.000 0.000 0.193 276 E C 1.816 178.213 176.600 -0.338 0.000 0.989 276 E CA 1.533 57.778 56.400 -0.259 0.000 0.800 276 E CB -0.271 29.421 29.700 -0.014 0.000 0.746 276 E HN 0.419 nan 8.360 nan 0.000 0.452 277 N N 0.474 119.039 118.700 -0.224 0.000 2.104 277 N HA -0.240 4.500 4.740 0.000 0.000 0.190 277 N C 1.736 177.083 175.510 -0.272 0.000 1.024 277 N CA 1.258 54.216 53.050 -0.153 0.000 0.853 277 N CB -0.323 38.160 38.487 -0.007 0.000 1.008 277 N HN 0.192 nan 8.380 nan 0.000 0.424 278 Y N 0.712 120.680 120.300 -0.553 0.000 2.181 278 Y HA -0.082 4.468 4.550 0.000 0.000 0.288 278 Y C 1.921 177.385 175.900 -0.728 0.000 1.146 278 Y CA 1.518 59.155 58.100 -0.772 0.000 1.164 278 Y CB -0.347 37.548 38.460 -0.942 0.000 0.982 278 Y HN 0.124 nan 8.280 nan 0.000 0.515 279 L N -0.219 120.464 121.223 -0.900 0.000 2.017 279 L HA -0.253 4.087 4.340 0.000 0.000 0.208 279 L C 2.634 178.575 176.870 -1.548 0.000 1.073 279 L CA 1.368 55.386 54.840 -1.371 0.000 0.745 279 L CB -0.650 40.321 42.059 -1.814 0.000 0.894 279 L HN 0.255 nan 8.230 nan 0.000 0.432 280 Q N 0.076 119.202 119.800 -1.123 0.000 2.079 280 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 280 Q C 2.192 177.964 176.000 -0.380 0.000 0.974 280 Q CA 1.131 56.578 55.803 -0.593 0.000 0.840 280 Q CB -0.185 28.444 28.738 -0.181 0.000 0.898 280 Q HN 0.385 nan 8.270 nan 0.000 0.430 281 K N 0.380 120.560 120.400 -0.367 0.000 2.283 281 K HA -0.044 4.276 4.320 0.000 0.000 0.202 281 K C 1.829 178.271 176.600 -0.263 0.000 1.048 281 K CA 1.315 57.475 56.287 -0.211 0.000 0.948 281 K CB -0.236 32.237 32.500 -0.044 0.000 0.742 281 K HN 0.379 nan 8.250 nan 0.000 0.458 282 T N -1.477 112.785 114.554 -0.487 0.000 3.163 282 T HA 0.116 4.466 4.350 0.000 0.000 0.252 282 T C 0.420 174.979 174.700 -0.234 0.000 1.056 282 T CA -0.390 61.489 62.100 -0.370 0.000 0.947 282 T CB -0.157 68.396 68.868 -0.524 0.000 1.016 282 T HN 0.065 nan 8.240 nan 0.000 0.554 283 N N 0.994 119.559 118.700 -0.225 0.000 2.725 283 N HA -0.184 4.557 4.740 0.000 0.000 0.249 283 N C -0.747 174.825 175.510 0.104 0.000 1.103 283 N CA 0.965 54.003 53.050 -0.021 0.000 0.707 283 N CB -1.799 36.706 38.487 0.031 0.000 1.043 283 N HN 0.821 nan 8.380 nan 0.000 0.553 284 W N -1.385 119.795 121.300 -0.200 0.000 5.271 284 W HA -0.257 4.403 4.660 0.000 0.000 0.364 284 W C 1.254 177.801 176.519 0.047 0.000 1.342 284 W CA 0.822 58.048 57.345 -0.199 0.000 0.899 284 W CB -2.351 26.954 29.460 -0.258 0.000 2.450 284 W HN 0.436 nan 8.180 nan 0.000 1.508 285 N N 0.878 119.671 118.700 0.156 0.000 2.461 285 N HA -0.102 4.638 4.740 0.000 0.000 0.188 285 N C 0.553 176.200 175.510 0.228 0.000 1.134 285 N CA 1.819 54.983 53.050 0.190 0.000 0.878 285 N CB -0.326 38.238 38.487 0.129 0.000 0.972 285 N HN 0.548 nan 8.380 nan 0.000 0.456 286 H N -3.567 115.530 119.070 0.044 0.000 2.981 286 H HA 0.498 5.054 4.556 0.000 0.000 0.327 286 H C -1.321 174.028 175.328 0.036 0.000 1.342 286 H CA -0.743 55.277 56.048 -0.046 0.000 1.123 286 H CB 0.414 30.106 29.762 -0.117 0.000 1.851 286 H HN -0.140 nan 8.280 nan 0.000 0.531 287 S N -0.144 115.489 115.700 -0.112 0.000 2.707 287 S HA 0.617 5.087 4.470 0.000 0.000 0.276 287 S C 0.167 174.691 174.600 -0.127 0.000 1.179 287 S CA -0.087 58.073 58.200 -0.067 0.000 0.992 287 S CB 1.338 64.553 63.200 0.025 0.000 1.030 287 S HN 0.688 nan 8.310 nan 0.000 0.554 288 V N -1.090 118.781 119.914 -0.072 0.000 3.049 288 V HA 0.670 4.790 4.120 0.000 0.000 0.309 288 V C -1.229 174.839 176.094 -0.044 0.000 1.148 288 V CA -1.152 61.100 62.300 -0.080 0.000 0.990 288 V CB 0.924 32.732 31.823 -0.025 0.000 1.039 288 V HN 0.633 nan 8.190 nan 0.000 0.430 289 F N 1.475 121.477 119.950 0.086 0.000 2.529 289 F HA 0.324 4.851 4.527 0.000 0.000 0.365 289 F C 1.115 177.052 175.800 0.230 0.000 1.102 289 F CA 0.222 58.312 58.000 0.151 0.000 1.271 289 F CB 0.420 39.409 39.000 -0.018 0.000 1.120 289 F HN 0.709 nan 8.300 nan 0.000 0.579 290 D N 3.585 124.303 120.400 0.530 0.000 2.551 290 D HA 0.083 4.724 4.640 0.000 0.000 0.223 290 D C 1.103 177.570 176.300 0.278 0.000 1.144 290 D CA 0.181 54.372 54.000 0.317 0.000 1.025 290 D CB 0.331 41.276 40.800 0.243 0.000 1.085 290 D HN 0.294 nan 8.370 nan 0.000 0.506 291 V N 4.273 124.309 119.914 0.203 0.000 2.343 291 V HA -0.161 3.959 4.120 0.000 0.000 0.247 291 V C -0.663 175.448 176.094 0.028 0.000 1.051 291 V CA 1.373 63.658 62.300 -0.026 0.000 1.036 291 V CB -1.130 30.464 31.823 -0.383 0.000 0.654 291 V HN 0.426 nan 8.190 nan 0.000 0.451 292 P HA -0.149 nan 4.420 nan 0.000 0.215 292 P C 1.939 179.280 177.300 0.068 0.000 1.153 292 P CA 1.118 64.279 63.100 0.102 0.000 0.853 292 P CB -0.065 31.675 31.700 0.068 0.000 0.788 293 L N -0.759 120.479 121.223 0.025 0.000 2.046 293 L HA -0.190 4.150 4.340 0.000 0.000 0.208 293 L C 2.404 179.167 176.870 -0.178 0.000 1.077 293 L CA 2.027 56.841 54.840 -0.043 0.000 0.747 293 L CB -1.572 40.489 42.059 0.004 0.000 0.896 293 L HN 0.029 nan 8.230 nan 0.000 0.432 294 H N -1.742 117.098 119.070 -0.385 0.000 2.352 294 H HA -0.247 4.310 4.556 0.000 0.000 0.299 294 H C 1.875 176.984 175.328 -0.365 0.000 1.097 294 H CA 2.472 58.169 56.048 -0.585 0.000 1.311 294 H CB -0.437 28.782 29.762 -0.905 0.000 1.377 294 H HN 0.466 nan 8.280 nan 0.000 0.504 295 Y N 0.151 120.260 120.300 -0.318 0.000 2.314 295 Y HA -0.120 4.430 4.550 0.000 0.000 0.293 295 Y C 2.360 178.155 175.900 -0.176 0.000 1.129 295 Y CA 1.213 59.182 58.100 -0.218 0.000 1.201 295 Y CB -0.298 38.133 38.460 -0.049 0.000 0.999 295 Y HN 0.311 nan 8.280 nan 0.000 0.541 296 N N 0.030 118.699 118.700 -0.052 0.000 2.084 296 N HA -0.149 4.591 4.740 0.000 0.000 0.190 296 N C 1.877 177.134 175.510 -0.421 0.000 1.030 296 N CA 1.281 54.250 53.050 -0.134 0.000 0.849 296 N CB -0.686 37.758 38.487 -0.072 0.000 1.012 296 N HN 0.279 nan 8.380 nan 0.000 0.423 297 L N -0.542 120.458 121.223 -0.372 0.000 2.012 297 L HA -0.214 4.127 4.340 0.000 0.000 0.210 297 L C 2.271 178.818 176.870 -0.538 0.000 1.073 297 L CA 1.345 55.956 54.840 -0.381 0.000 0.748 297 L CB -0.647 41.271 42.059 -0.234 0.000 0.891 297 L HN 0.221 nan 8.230 nan 0.000 0.431 298 Y N 1.201 121.154 120.300 -0.578 0.000 2.097 298 Y HA -0.298 4.252 4.550 0.000 0.000 0.282 298 Y C 2.618 178.281 175.900 -0.396 0.000 1.152 298 Y CA 1.853 59.664 58.100 -0.481 0.000 1.136 298 Y CB -0.174 37.987 38.460 -0.498 0.000 0.975 298 Y HN 0.193 nan 8.280 nan 0.000 0.498 299 N N 0.672 119.099 118.700 -0.455 0.000 2.149 299 N HA -0.200 4.540 4.740 0.000 0.000 0.188 299 N C 1.929 177.094 175.510 -0.574 0.000 1.019 299 N CA 1.387 54.176 53.050 -0.436 0.000 0.857 299 N CB -0.665 37.777 38.487 -0.075 0.000 0.997 299 N HN 0.575 nan 8.380 nan 0.000 0.426 300 A N 0.891 123.099 122.820 -1.019 0.000 1.902 300 A HA -0.137 4.183 4.320 0.000 0.000 0.217 300 A C 2.369 179.359 177.584 -0.989 0.000 1.181 300 A CA 2.025 53.302 52.037 -1.266 0.000 0.623 300 A CB -0.754 17.202 19.000 -1.741 0.000 0.818 300 A HN 0.462 nan 8.150 nan 0.000 0.443 301 S N -1.108 113.875 115.700 -1.194 0.000 2.481 301 S HA -0.020 4.450 4.470 0.000 0.000 0.231 301 S C 1.383 175.893 174.600 -0.150 0.000 0.996 301 S CA 1.101 58.814 58.200 -0.812 0.000 0.942 301 S CB -0.055 62.710 63.200 -0.726 0.000 0.768 301 S HN 0.412 nan 8.310 nan 0.000 0.520 302 K N 0.936 121.153 120.400 -0.305 0.000 2.358 302 K HA 0.356 4.676 4.320 0.000 0.000 0.197 302 K C 0.837 177.400 176.600 -0.063 0.000 1.025 302 K CA 0.156 56.339 56.287 -0.173 0.000 1.104 302 K CB 0.352 32.621 32.500 -0.386 0.000 0.855 302 K HN 0.348 nan 8.250 nan 0.000 0.531 303 S N 0.170 115.855 115.700 -0.024 0.000 2.605 303 S HA 0.097 4.567 4.470 0.000 0.000 0.217 303 S C 1.079 175.723 174.600 0.073 0.000 0.958 303 S CA 0.402 58.629 58.200 0.044 0.000 0.919 303 S CB 0.340 63.607 63.200 0.112 0.000 0.780 303 S HN 0.520 nan 8.310 nan 0.000 0.507 304 G N 1.306 110.156 108.800 0.083 0.000 2.321 304 G HA2 -0.147 3.813 3.960 0.000 0.000 0.287 304 G HA3 -0.147 3.813 3.960 0.000 0.000 0.287 304 G C 0.970 175.871 174.900 0.001 0.000 1.018 304 G CA 0.395 45.480 45.100 -0.025 0.000 0.855 304 G HN 1.260 nan 8.290 nan 0.000 0.507 305 G N -1.255 107.630 108.800 0.142 0.000 2.232 305 G HA2 -0.287 3.674 3.960 0.000 0.000 0.226 305 G HA3 -0.287 3.674 3.960 0.000 0.000 0.226 305 G C 0.812 175.825 174.900 0.188 0.000 0.996 305 G CA 0.723 45.931 45.100 0.180 0.000 0.626 305 G HN 0.782 nan 8.290 nan 0.000 0.509 306 N N -0.210 118.575 118.700 0.141 0.000 2.398 306 N HA 0.167 4.908 4.740 0.000 0.000 0.188 306 N C 0.396 175.978 175.510 0.120 0.000 1.122 306 N CA -0.073 53.041 53.050 0.108 0.000 0.866 306 N CB -0.099 38.418 38.487 0.050 0.000 0.970 306 N HN 0.606 nan 8.380 nan 0.000 0.462 307 Y N 1.441 121.769 120.300 0.047 0.000 2.411 307 Y HA 0.049 4.599 4.550 0.000 0.000 0.333 307 Y C 0.401 176.340 175.900 0.066 0.000 1.186 307 Y CA -0.378 57.733 58.100 0.019 0.000 1.381 307 Y CB 0.582 39.021 38.460 -0.035 0.000 1.273 307 Y HN -0.082 nan 8.280 nan 0.000 0.546 308 D N 6.527 126.712 120.400 -0.359 0.000 2.422 308 D HA 0.040 4.680 4.640 0.000 0.000 0.227 308 D C 0.812 177.114 176.300 0.004 0.000 1.190 308 D CA -0.072 53.856 54.000 -0.121 0.000 0.905 308 D CB 0.519 41.209 40.800 -0.183 0.000 1.034 308 D HN 0.650 nan 8.370 nan 0.000 0.507 309 M N 2.698 122.444 119.600 0.243 0.000 2.426 309 M HA -0.144 4.336 4.480 0.000 0.000 0.261 309 M C 1.647 178.087 176.300 0.234 0.000 1.068 309 M CA 0.997 56.489 55.300 0.320 0.000 1.066 309 M CB -0.501 32.286 32.600 0.312 0.000 1.399 309 M HN 0.371 nan 8.290 nan 0.000 0.449 310 R N 0.232 120.833 120.500 0.169 0.000 2.189 310 R HA -0.083 4.257 4.340 0.000 0.000 0.223 310 R C 0.986 177.367 176.300 0.135 0.000 1.092 310 R CA 0.863 57.059 56.100 0.159 0.000 0.989 310 R CB -0.203 30.170 30.300 0.121 0.000 0.876 310 R HN 0.460 nan 8.270 nan 0.000 0.457 311 N N 0.384 119.135 118.700 0.085 0.000 2.230 311 N HA -0.016 4.724 4.740 0.000 0.000 0.202 311 N C 1.162 176.752 175.510 0.133 0.000 1.119 311 N CA 0.098 53.188 53.050 0.068 0.000 0.851 311 N CB 0.302 38.759 38.487 -0.049 0.000 0.990 311 N HN 0.087 nan 8.380 nan 0.000 0.497 312 I N 0.038 120.707 120.570 0.165 0.000 2.381 312 I HA -0.202 3.968 4.170 0.000 0.000 0.255 312 I C 0.823 176.793 176.117 -0.246 0.000 1.140 312 I CA 1.482 62.789 61.300 0.012 0.000 1.404 312 I CB -0.140 37.751 38.000 -0.181 0.000 1.075 312 I HN -0.001 nan 8.210 nan 0.000 0.433 313 F N -0.455 119.551 119.950 0.092 0.000 2.695 313 F HA 0.235 4.762 4.527 0.000 0.000 0.303 313 F C 0.782 176.603 175.800 0.035 0.000 1.091 313 F CA -0.699 57.324 58.000 0.038 0.000 1.300 313 F CB -0.363 38.633 39.000 -0.006 0.000 1.071 313 F HN -0.088 nan 8.300 nan 0.000 0.578 314 N N 0.745 119.550 118.700 0.175 0.000 2.483 314 N HA 0.237 4.977 4.740 0.000 0.000 0.264 314 N C 1.181 176.748 175.510 0.095 0.000 1.197 314 N CA 1.089 54.208 53.050 0.115 0.000 0.927 314 N CB 0.735 39.268 38.487 0.077 0.000 1.065 314 N HN 0.366 nan 8.380 nan 0.000 0.461 315 G N 0.352 109.195 108.800 0.073 0.000 2.155 315 G HA2 -0.296 3.664 3.960 0.000 0.000 0.257 315 G HA3 -0.296 3.664 3.960 0.000 0.000 0.257 315 G C 0.304 175.246 174.900 0.070 0.000 0.983 315 G CA 0.902 46.038 45.100 0.059 0.000 0.676 315 G HN 0.862 nan 8.290 nan 0.000 0.528 316 T N -2.929 111.684 114.554 0.097 0.000 2.918 316 T HA 0.647 4.997 4.350 0.000 0.000 0.283 316 T C 1.458 176.218 174.700 0.100 0.000 1.001 316 T CA -0.007 62.161 62.100 0.114 0.000 1.041 316 T CB 2.170 71.148 68.868 0.184 0.000 1.028 316 T HN 0.451 nan 8.240 nan 0.000 0.511 317 V N 1.997 121.981 119.914 0.117 0.000 2.453 317 V HA -0.087 4.033 4.120 0.000 0.000 0.247 317 V C 2.717 178.890 176.094 0.132 0.000 1.048 317 V CA 1.417 63.801 62.300 0.140 0.000 1.049 317 V CB -0.665 31.252 31.823 0.156 0.000 0.672 317 V HN 0.809 nan 8.190 nan 0.000 0.457 318 V N -0.278 119.710 119.914 0.124 0.000 2.594 318 V HA -0.296 3.824 4.120 0.000 0.000 0.253 318 V C 2.359 178.437 176.094 -0.026 0.000 1.069 318 V CA 2.588 64.930 62.300 0.071 0.000 1.082 318 V CB -0.014 31.852 31.823 0.073 0.000 0.680 318 V HN 0.695 nan 8.190 nan 0.000 0.469 319 Q N -0.516 119.274 119.800 -0.015 0.000 2.062 319 Q HA -0.214 4.126 4.340 0.000 0.000 0.196 319 Q C 2.417 178.357 176.000 -0.099 0.000 0.967 319 Q CA 1.698 57.453 55.803 -0.079 0.000 0.832 319 Q CB -0.078 28.662 28.738 0.004 0.000 0.899 319 Q HN 0.540 nan 8.270 nan 0.000 0.442 320 R N -0.385 120.047 120.500 -0.114 0.000 2.055 320 R HA -0.022 4.318 4.340 0.000 0.000 0.226 320 R C 0.208 176.212 176.300 -0.493 0.000 1.135 320 R CA 1.412 57.324 56.100 -0.312 0.000 0.959 320 R CB 0.252 30.345 30.300 -0.345 0.000 0.854 320 R HN 0.281 nan 8.270 nan 0.000 0.431 321 H N 0.122 119.244 119.070 0.086 0.000 2.348 321 H HA 0.233 4.790 4.556 0.000 0.000 0.232 321 H C -1.993 173.425 175.328 0.151 0.000 1.419 321 H CA -1.987 54.141 56.048 0.132 0.000 1.416 321 H CB 1.399 31.316 29.762 0.258 0.000 1.510 321 H HN 0.264 nan 8.280 nan 0.000 0.507 322 P HA -0.204 nan 4.420 nan 0.000 0.216 322 P C 1.603 178.983 177.300 0.134 0.000 1.150 322 P CA 1.420 64.577 63.100 0.095 0.000 0.843 322 P CB 0.282 31.985 31.700 0.005 0.000 0.787 323 S N -1.283 114.517 115.700 0.167 0.000 2.447 323 S HA -0.154 4.316 4.470 0.000 0.000 0.233 323 S C 1.276 175.888 174.600 0.021 0.000 1.006 323 S CA 0.931 59.187 58.200 0.093 0.000 0.957 323 S CB -1.344 61.906 63.200 0.083 0.000 0.773 323 S HN 0.286 nan 8.310 nan 0.000 0.507 324 H N 1.035 120.215 119.070 0.182 0.000 2.528 324 H HA 0.687 5.243 4.556 0.000 0.000 0.282 324 H C 0.253 175.669 175.328 0.147 0.000 1.097 324 H CA 0.059 56.210 56.048 0.172 0.000 1.121 324 H CB 0.346 30.228 29.762 0.200 0.000 1.590 324 H HN 0.531 nan 8.280 nan 0.000 0.553 325 A N 0.878 123.845 122.820 0.245 0.000 2.304 325 A HA 0.574 4.894 4.320 0.000 0.000 0.323 325 A C -0.634 177.089 177.584 0.232 0.000 1.195 325 A CA -0.575 51.592 52.037 0.216 0.000 0.826 325 A CB 0.828 19.948 19.000 0.200 0.000 1.184 325 A HN 0.145 nan 8.150 nan 0.000 0.496 326 V N 3.424 123.465 119.914 0.212 0.000 2.328 326 V HA 0.389 4.510 4.120 0.000 0.000 0.278 326 V C 0.481 176.805 176.094 0.384 0.000 1.021 326 V CA -0.177 62.256 62.300 0.222 0.000 0.838 326 V CB 1.335 33.141 31.823 -0.029 0.000 0.999 326 V HN 1.015 nan 8.190 nan 0.000 0.447 327 T N 3.455 118.217 114.554 0.346 0.000 2.771 327 T HA 0.741 5.091 4.350 0.000 0.000 0.291 327 T C -0.668 174.284 174.700 0.419 0.000 0.954 327 T CA -0.418 61.890 62.100 0.347 0.000 1.045 327 T CB 0.785 69.783 68.868 0.216 0.000 0.917 327 T HN 0.510 nan 8.240 nan 0.000 0.484 328 F N 0.918 120.977 119.950 0.182 0.000 2.613 328 F HA 0.762 5.289 4.527 0.000 0.000 0.314 328 F C -0.060 175.746 175.800 0.010 0.000 1.075 328 F CA -1.723 56.351 58.000 0.123 0.000 0.945 328 F CB 0.743 39.827 39.000 0.140 0.000 1.310 328 F HN 0.248 nan 8.300 nan 0.000 0.467 329 V N -0.203 119.615 119.914 -0.160 0.000 2.492 329 V HA 0.182 4.302 4.120 0.000 0.000 0.241 329 V C -0.068 175.962 176.094 -0.107 0.000 1.041 329 V CA 1.189 63.295 62.300 -0.324 0.000 1.057 329 V CB -0.327 31.121 31.823 -0.626 0.000 0.711 329 V HN 0.827 nan 8.190 nan 0.000 0.468 330 D N -1.076 119.362 120.400 0.063 0.000 2.615 330 D HA 0.425 5.065 4.640 0.000 0.000 0.267 330 D C -1.277 174.793 176.300 -0.384 0.000 1.236 330 D CA -0.242 53.742 54.000 -0.026 0.000 0.839 330 D CB 2.555 43.387 40.800 0.053 0.000 1.380 330 D HN 0.407 nan 8.370 nan 0.000 0.433 331 N N -1.911 116.326 118.700 -0.772 0.000 3.316 331 N HA 0.095 4.835 4.740 0.000 0.000 0.300 331 N C 0.787 175.709 175.510 -0.980 0.000 1.567 331 N CA -0.458 51.860 53.050 -1.220 0.000 0.821 331 N CB 0.138 38.225 38.487 -0.667 0.000 1.748 331 N HN 0.367 nan 8.380 nan 0.000 0.603 332 H N -1.729 117.018 119.070 -0.537 0.000 2.521 332 H HA 0.087 4.643 4.556 0.000 0.000 0.286 332 H C -0.451 174.791 175.328 -0.143 0.000 1.034 332 H CA 1.209 57.222 56.048 -0.057 0.000 1.278 332 H CB -0.157 29.718 29.762 0.189 0.000 1.386 332 H HN 0.522 nan 8.280 nan 0.000 0.567 333 D N 0.671 120.570 120.400 -0.834 0.000 2.301 333 D HA -0.056 4.584 4.640 0.000 0.000 0.206 333 D C 2.110 178.061 176.300 -0.582 0.000 0.979 333 D CA 1.272 54.806 54.000 -0.776 0.000 0.874 333 D CB 0.136 40.323 40.800 -1.022 0.000 0.968 333 D HN 0.534 nan 8.370 nan 0.000 0.510 334 S N 0.239 115.642 115.700 -0.494 0.000 2.528 334 S HA -0.053 4.417 4.470 0.000 0.000 0.219 334 S C 1.063 175.630 174.600 -0.056 0.000 0.985 334 S CA -0.348 57.701 58.200 -0.252 0.000 0.914 334 S CB -0.272 62.800 63.200 -0.214 0.000 0.776 334 S HN 0.305 nan 8.310 nan 0.000 0.526 335 Q N 1.277 120.997 119.800 -0.133 0.000 2.492 335 Q HA 0.341 4.681 4.340 0.000 0.000 0.238 335 Q C -2.773 172.994 176.000 -0.388 0.000 1.045 335 Q CA -1.901 53.708 55.803 -0.322 0.000 0.934 335 Q CB -0.866 27.792 28.738 -0.133 0.000 1.276 335 Q HN 0.069 nan 8.270 nan 0.000 0.521 336 P HA -0.160 nan 4.420 nan 0.000 0.261 336 P C -0.452 176.649 177.300 -0.331 0.000 1.173 336 P CA 1.087 63.965 63.100 -0.369 0.000 0.760 336 P CB 0.328 31.811 31.700 -0.362 0.000 0.783 337 E N -0.767 119.343 120.200 -0.150 0.000 4.086 337 E HA -0.233 4.117 4.350 0.000 0.000 0.363 337 E C 0.048 176.572 176.600 -0.127 0.000 0.616 337 E CA 0.836 57.193 56.400 -0.071 0.000 1.293 337 E CB -0.564 29.155 29.700 0.032 0.000 1.747 337 E HN 0.466 nan 8.360 nan 0.000 0.405 338 E N -0.683 119.378 120.200 -0.232 0.000 2.342 338 E HA 0.382 4.732 4.350 0.000 0.000 0.257 338 E C 1.113 177.497 176.600 -0.359 0.000 1.150 338 E CA 0.628 56.785 56.400 -0.404 0.000 0.926 338 E CB 0.461 29.833 29.700 -0.547 0.000 1.074 338 E HN 0.261 nan 8.360 nan 0.000 0.449 339 A N 1.291 123.841 122.820 -0.449 0.000 1.958 339 A HA -0.180 4.140 4.320 0.000 0.000 0.221 339 A C 1.593 178.993 177.584 -0.307 0.000 1.178 339 A CA 1.612 53.436 52.037 -0.355 0.000 0.642 339 A CB -0.340 18.422 19.000 -0.398 0.000 0.816 339 A HN 0.460 nan 8.150 nan 0.000 0.453 340 L N -0.590 120.399 121.223 -0.391 0.000 3.110 340 L HA 0.201 4.541 4.340 0.000 0.000 0.266 340 L C 0.338 177.084 176.870 -0.206 0.000 1.257 340 L CA -0.447 54.199 54.840 -0.322 0.000 1.038 340 L CB -0.049 41.605 42.059 -0.675 0.000 1.395 340 L HN 0.441 nan 8.230 nan 0.000 0.566 341 E N 2.285 122.375 120.200 -0.184 0.000 3.025 341 E HA -0.120 4.231 4.350 0.000 0.000 0.248 341 E C 0.064 176.584 176.600 -0.133 0.000 0.938 341 E CA 0.745 57.070 56.400 -0.125 0.000 0.958 341 E CB 0.328 29.979 29.700 -0.082 0.000 0.898 341 E HN 0.383 nan 8.360 nan 0.000 0.537 342 S N 4.394 119.985 115.700 -0.182 0.000 2.631 342 S HA 0.088 4.558 4.470 0.000 0.000 0.159 342 S C -0.603 173.841 174.600 -0.259 0.000 0.896 342 S CA -0.762 56.974 58.200 -0.773 0.000 1.022 342 S CB -0.880 61.826 63.200 -0.823 0.000 1.722 342 S HN 0.448 nan 8.310 nan 0.000 0.520 343 F N 2.490 122.433 119.950 -0.010 0.000 2.506 343 F HA 0.407 4.934 4.527 0.000 0.000 0.371 343 F C 0.576 176.549 175.800 0.288 0.000 1.078 343 F CA -0.479 57.615 58.000 0.157 0.000 1.195 343 F CB 0.743 39.824 39.000 0.135 0.000 1.099 343 F HN 0.226 nan 8.300 nan 0.000 0.548 344 V N 6.550 126.401 119.914 -0.105 0.000 2.493 344 V HA -0.078 4.042 4.120 0.000 0.000 0.292 344 V C 0.377 176.346 176.094 -0.210 0.000 1.016 344 V CA -0.235 61.977 62.300 -0.147 0.000 1.097 344 V CB 0.165 31.858 31.823 -0.216 0.000 0.947 344 V HN 0.676 nan 8.190 nan 0.000 0.479 345 E N 3.486 123.626 120.200 -0.100 0.000 2.442 345 E HA -0.077 4.273 4.350 0.000 0.000 0.262 345 E C 1.132 177.689 176.600 -0.071 0.000 1.004 345 E CA 0.136 56.538 56.400 0.002 0.000 0.928 345 E CB 0.732 30.524 29.700 0.152 0.000 0.937 345 E HN 0.782 nan 8.360 nan 0.000 0.446 346 E N 4.369 124.623 120.200 0.090 0.000 2.114 346 E HA -0.225 4.126 4.350 0.000 0.000 0.199 346 E C 1.731 178.386 176.600 0.092 0.000 1.008 346 E CA 1.898 58.355 56.400 0.096 0.000 0.810 346 E CB -0.094 29.708 29.700 0.170 0.000 0.739 346 E HN 0.804 nan 8.360 nan 0.000 0.456 347 W N -0.223 121.128 121.300 0.084 0.000 2.374 347 W HA -0.177 4.483 4.660 0.000 0.000 0.288 347 W C 1.608 178.186 176.519 0.099 0.000 1.218 347 W CA 0.302 57.694 57.345 0.079 0.000 1.245 347 W CB -1.092 28.417 29.460 0.082 0.000 1.126 347 W HN 0.086 nan 8.180 nan 0.000 0.545 348 F N 2.363 121.651 119.950 -1.103 0.000 2.569 348 F HA 0.125 4.652 4.527 0.000 0.000 0.295 348 F C 2.612 178.110 175.800 -0.503 0.000 1.115 348 F CA 1.337 58.684 58.000 -1.088 0.000 1.450 348 F CB -0.374 37.729 39.000 -1.496 0.000 1.107 348 F HN -0.245 nan 8.300 nan 0.000 0.563 349 K N 0.829 121.069 120.400 -0.266 0.000 2.089 349 K HA -0.186 4.134 4.320 0.000 0.000 0.210 349 K C -0.932 175.613 176.600 -0.091 0.000 1.048 349 K CA 2.143 58.341 56.287 -0.148 0.000 0.926 349 K CB -1.131 31.354 32.500 -0.025 0.000 0.714 349 K HN 0.157 nan 8.250 nan 0.000 0.448 350 P HA -0.120 nan 4.420 nan 0.000 0.217 350 P C 0.870 178.081 177.300 -0.150 0.000 1.150 350 P CA 0.984 64.056 63.100 -0.048 0.000 0.832 350 P CB 0.110 31.772 31.700 -0.064 0.000 0.787 351 L N -0.601 120.381 121.223 -0.401 0.000 2.056 351 L HA -0.110 4.230 4.340 0.000 0.000 0.207 351 L C 2.504 179.094 176.870 -0.468 0.000 1.078 351 L CA 1.964 56.492 54.840 -0.521 0.000 0.749 351 L CB -1.815 39.652 42.059 -0.987 0.000 0.901 351 L HN -0.100 nan 8.230 nan 0.000 0.433 352 A N -1.416 121.042 122.820 -0.603 0.000 1.902 352 A HA -0.247 4.074 4.320 0.000 0.000 0.217 352 A C 2.200 179.632 177.584 -0.254 0.000 1.181 352 A CA 1.633 53.441 52.037 -0.381 0.000 0.623 352 A CB -0.961 17.829 19.000 -0.350 0.000 0.818 352 A HN 0.405 nan 8.150 nan 0.000 0.443 353 Y N -0.219 120.028 120.300 -0.087 0.000 2.352 353 Y HA 0.004 4.554 4.550 0.000 0.000 0.292 353 Y C 2.807 178.731 175.900 0.041 0.000 1.136 353 Y CA 0.588 58.687 58.100 -0.003 0.000 1.227 353 Y CB -0.395 38.065 38.460 -0.001 0.000 0.991 353 Y HN 0.342 nan 8.280 nan 0.000 0.545 354 A N -0.368 122.545 122.820 0.155 0.000 1.929 354 A HA -0.107 4.213 4.320 0.000 0.000 0.216 354 A C 2.176 179.983 177.584 0.372 0.000 1.176 354 A CA 1.160 53.320 52.037 0.205 0.000 0.628 354 A CB -0.964 18.098 19.000 0.104 0.000 0.816 354 A HN 0.449 nan 8.150 nan 0.000 0.444 355 L N -0.006 121.392 121.223 0.291 0.000 2.131 355 L HA -0.159 4.182 4.340 0.000 0.000 0.210 355 L C 2.869 179.850 176.870 0.186 0.000 1.092 355 L CA 1.805 56.816 54.840 0.285 0.000 0.759 355 L CB -0.383 41.735 42.059 0.098 0.000 0.903 355 L HN 0.697 nan 8.230 nan 0.000 0.435 356 T N -4.091 110.549 114.554 0.143 0.000 3.033 356 T HA 0.064 4.414 4.350 0.000 0.000 0.248 356 T C 1.721 176.510 174.700 0.147 0.000 1.040 356 T CA 0.148 62.328 62.100 0.133 0.000 1.133 356 T CB -0.180 68.750 68.868 0.103 0.000 0.895 356 T HN 0.160 nan 8.240 nan 0.000 0.465 357 L N 1.891 123.225 121.223 0.185 0.000 2.270 357 L HA 0.151 4.491 4.340 0.000 0.000 0.210 357 L C 2.793 179.738 176.870 0.124 0.000 1.104 357 L CA 1.383 56.320 54.840 0.160 0.000 0.804 357 L CB -0.453 41.714 42.059 0.180 0.000 0.937 357 L HN 0.488 nan 8.230 nan 0.000 0.450 358 T N -3.522 111.153 114.554 0.201 0.000 3.069 358 T HA 0.181 4.531 4.350 0.000 0.000 0.252 358 T C 0.872 175.716 174.700 0.240 0.000 1.053 358 T CA -0.355 61.890 62.100 0.242 0.000 0.964 358 T CB 0.140 69.230 68.868 0.369 0.000 1.005 358 T HN 0.076 nan 8.240 nan 0.000 0.532 359 R N 1.423 121.942 120.500 0.031 0.000 2.536 359 R HA 0.354 4.694 4.340 0.000 0.000 0.279 359 R C 1.532 177.751 176.300 -0.136 0.000 1.001 359 R CA -0.334 55.640 56.100 -0.209 0.000 1.027 359 R CB 1.059 31.045 30.300 -0.524 0.000 1.096 359 R HN 0.498 nan 8.270 nan 0.000 0.502 360 E N 1.011 121.126 120.200 -0.143 0.000 2.274 360 E HA -0.120 4.230 4.350 0.000 0.000 0.194 360 E C -0.204 176.340 176.600 -0.094 0.000 0.996 360 E CA 0.824 57.163 56.400 -0.103 0.000 0.840 360 E CB 0.312 29.969 29.700 -0.072 0.000 0.772 360 E HN 0.307 nan 8.360 nan 0.000 0.491 361 Q N 0.764 120.487 119.800 -0.129 0.000 2.227 361 Q HA 0.482 4.822 4.340 0.000 0.000 0.245 361 Q C 0.341 176.319 176.000 -0.037 0.000 0.926 361 Q CA 0.518 56.267 55.803 -0.090 0.000 0.895 361 Q CB 1.572 30.230 28.738 -0.133 0.000 1.230 361 Q HN 0.365 nan 8.270 nan 0.000 0.450 362 G N 0.906 109.725 108.800 0.031 0.000 2.712 362 G HA2 -0.233 3.727 3.960 0.000 0.000 0.686 362 G HA3 -0.233 3.727 3.960 0.000 0.000 0.686 362 G C -1.754 173.261 174.900 0.191 0.000 1.321 362 G CA -0.783 44.387 45.100 0.116 0.000 0.813 362 G HN 0.459 nan 8.290 nan 0.000 0.599 363 Y N 3.805 124.156 120.300 0.085 0.000 2.593 363 Y HA 0.572 5.122 4.550 0.000 0.000 0.331 363 Y C -1.888 174.102 175.900 0.149 0.000 0.986 363 Y CA -3.018 55.129 58.100 0.079 0.000 1.262 363 Y CB 1.226 39.719 38.460 0.056 0.000 1.098 363 Y HN 0.553 nan 8.280 nan 0.000 0.506 364 P HA 0.133 nan 4.420 nan 0.000 0.275 364 P C -0.649 176.761 177.300 0.183 0.000 1.228 364 P CA 0.007 63.250 63.100 0.238 0.000 0.786 364 P CB 1.796 33.633 31.700 0.228 0.000 0.927 365 S N 1.318 117.181 115.700 0.271 0.000 2.536 365 S HA 0.497 4.967 4.470 0.000 0.000 0.287 365 S C -1.036 173.811 174.600 0.412 0.000 1.101 365 S CA -0.679 57.706 58.200 0.308 0.000 0.950 365 S CB 0.949 64.399 63.200 0.416 0.000 1.056 365 S HN 0.172 nan 8.310 nan 0.000 0.481 366 V N 4.864 124.982 119.914 0.340 0.000 2.435 366 V HA 0.509 4.630 4.120 0.000 0.000 0.290 366 V C -0.489 175.827 176.094 0.370 0.000 1.030 366 V CA -0.754 61.747 62.300 0.335 0.000 0.881 366 V CB 1.144 32.975 31.823 0.013 0.000 0.983 366 V HN 0.838 nan 8.190 nan 0.000 0.445 367 F N 4.745 124.866 119.950 0.285 0.000 2.420 367 F HA 0.316 4.843 4.527 0.000 0.000 0.352 367 F C 0.818 176.719 175.800 0.167 0.000 1.108 367 F CA -1.149 56.976 58.000 0.208 0.000 1.162 367 F CB 0.729 39.891 39.000 0.270 0.000 1.118 367 F HN 0.626 nan 8.300 nan 0.000 0.510 368 Y N 5.177 125.238 120.300 -0.397 0.000 2.114 368 Y HA -0.146 4.404 4.550 0.000 0.000 0.282 368 Y C 2.158 177.694 175.900 -0.606 0.000 1.165 368 Y CA 2.295 60.122 58.100 -0.456 0.000 1.148 368 Y CB -0.624 37.567 38.460 -0.449 0.000 0.972 368 Y HN 0.695 nan 8.280 nan 0.000 0.504 369 G N -0.417 107.675 108.800 -1.180 0.000 2.442 369 G HA2 -0.274 3.686 3.960 0.000 0.000 0.219 369 G HA3 -0.274 3.686 3.960 0.000 0.000 0.219 369 G C 1.313 176.112 174.900 -0.167 0.000 1.141 369 G CA 1.258 45.950 45.100 -0.680 0.000 0.763 369 G HN 0.426 nan 8.290 nan 0.000 0.554 370 D N -0.987 119.379 120.400 -0.056 0.000 2.137 370 D HA -0.041 4.599 4.640 0.000 0.000 0.202 370 D C 1.892 178.188 176.300 -0.006 0.000 0.970 370 D CA 0.460 54.568 54.000 0.181 0.000 0.837 370 D CB -0.270 40.760 40.800 0.384 0.000 0.981 370 D HN 0.412 nan 8.370 nan 0.000 0.475 371 Y N -0.153 119.971 120.300 -0.294 0.000 2.133 371 Y HA -0.263 4.287 4.550 0.000 0.000 0.287 371 Y C 1.635 177.206 175.900 -0.548 0.000 1.134 371 Y CA 1.548 59.348 58.100 -0.500 0.000 1.133 371 Y CB -0.012 38.024 38.460 -0.707 0.000 0.987 371 Y HN -0.079 nan 8.280 nan 0.000 0.502 372 Y N -0.065 120.058 120.300 -0.294 0.000 2.462 372 Y HA 0.370 4.920 4.550 0.000 0.000 0.261 372 Y C 1.074 176.859 175.900 -0.191 0.000 1.146 372 Y CA 0.217 58.113 58.100 -0.341 0.000 1.283 372 Y CB 0.244 38.357 38.460 -0.579 0.000 1.090 372 Y HN 0.210 nan 8.280 nan 0.000 0.526 373 G N 0.800 109.597 108.800 -0.004 0.000 2.712 373 G HA2 -0.167 3.793 3.960 0.000 0.000 0.683 373 G HA3 -0.167 3.793 3.960 0.000 0.000 0.683 373 G C -0.898 174.063 174.900 0.103 0.000 1.320 373 G CA -0.588 44.549 45.100 0.063 0.000 0.847 373 G HN 0.091 nan 8.290 nan 0.000 0.553 374 I N 2.069 122.711 120.570 0.121 0.000 2.698 374 I HA 0.235 4.406 4.170 0.000 0.000 0.276 374 I C -1.206 174.985 176.117 0.123 0.000 1.166 374 I CA -1.816 59.567 61.300 0.138 0.000 1.101 374 I CB 2.071 40.143 38.000 0.120 0.000 1.305 374 I HN 0.402 nan 8.210 nan 0.000 0.526 375 P HA -0.219 nan 4.420 nan 0.000 0.217 375 P C 1.499 178.817 177.300 0.031 0.000 1.148 375 P CA 1.799 64.936 63.100 0.061 0.000 0.828 375 P CB -0.121 31.610 31.700 0.052 0.000 0.783 376 T N -4.167 110.416 114.554 0.048 0.000 2.929 376 T HA -0.147 4.204 4.350 0.000 0.000 0.271 376 T C 1.066 175.594 174.700 -0.286 0.000 1.085 376 T CA 1.316 63.370 62.100 -0.077 0.000 1.125 376 T CB -1.065 67.781 68.868 -0.036 0.000 0.874 376 T HN 0.249 nan 8.240 nan 0.000 0.494 377 H N 0.010 119.008 119.070 -0.121 0.000 2.567 377 H HA 0.518 5.074 4.556 0.000 0.000 0.267 377 H C 1.491 176.790 175.328 -0.048 0.000 1.148 377 H CA -0.513 55.461 56.048 -0.123 0.000 1.031 377 H CB 0.296 29.947 29.762 -0.186 0.000 1.691 377 H HN 0.438 nan 8.280 nan 0.000 0.588 378 G N 0.693 109.521 108.800 0.045 0.000 2.168 378 G HA2 -0.293 3.667 3.960 0.000 0.000 0.257 378 G HA3 -0.293 3.667 3.960 0.000 0.000 0.257 378 G C -0.025 174.932 174.900 0.095 0.000 0.997 378 G CA 0.488 45.621 45.100 0.055 0.000 0.708 378 G HN 0.272 nan 8.290 nan 0.000 0.520 379 V N 3.069 123.054 119.914 0.119 0.000 2.368 379 V HA 0.382 4.502 4.120 0.000 0.000 0.266 379 V C -0.840 175.330 176.094 0.127 0.000 1.045 379 V CA -1.248 61.150 62.300 0.164 0.000 0.899 379 V CB 1.248 33.201 31.823 0.216 0.000 1.006 379 V HN 0.301 nan 8.190 nan 0.000 0.470 380 P HA 0.227 nan 4.420 nan 0.000 0.272 380 P C -0.349 176.977 177.300 0.043 0.000 1.223 380 P CA -0.238 62.900 63.100 0.064 0.000 0.784 380 P CB 1.055 32.788 31.700 0.054 0.000 0.923 381 A N 3.145 125.966 122.820 0.001 0.000 2.477 381 A HA 0.217 4.538 4.320 0.000 0.000 0.246 381 A C 1.037 178.556 177.584 -0.108 0.000 1.078 381 A CA 0.079 52.076 52.037 -0.067 0.000 0.770 381 A CB -0.530 18.424 19.000 -0.077 0.000 1.011 381 A HN 0.588 nan 8.150 nan 0.000 0.494 382 M N 1.919 121.418 119.600 -0.169 0.000 2.412 382 M HA 0.070 4.550 4.480 0.000 0.000 0.315 382 M C 1.838 177.961 176.300 -0.295 0.000 1.092 382 M CA -0.009 55.194 55.300 -0.160 0.000 0.974 382 M CB 0.236 32.798 32.600 -0.064 0.000 1.437 382 M HN 0.948 nan 8.290 nan 0.000 0.524 383 R N 0.329 120.497 120.500 -0.553 0.000 2.159 383 R HA -0.119 4.221 4.340 0.000 0.000 0.237 383 R C 1.901 177.958 176.300 -0.405 0.000 1.131 383 R CA 2.002 57.598 56.100 -0.840 0.000 0.982 383 R CB -1.030 28.282 30.300 -1.646 0.000 0.868 383 R HN 0.353 nan 8.270 nan 0.000 0.453 384 S N 0.837 116.373 115.700 -0.274 0.000 2.402 384 S HA -0.084 4.387 4.470 0.000 0.000 0.229 384 S C 1.665 176.190 174.600 -0.125 0.000 1.021 384 S CA 0.993 59.096 58.200 -0.162 0.000 0.974 384 S CB 0.000 63.131 63.200 -0.116 0.000 0.800 384 S HN 0.479 nan 8.310 nan 0.000 0.484 385 K N 0.223 120.546 120.400 -0.129 0.000 2.323 385 K HA 0.375 4.695 4.320 0.000 0.000 0.197 385 K C 1.772 178.312 176.600 -0.100 0.000 1.043 385 K CA 0.474 56.704 56.287 -0.095 0.000 0.997 385 K CB -0.037 32.422 32.500 -0.068 0.000 0.807 385 K HN 0.400 nan 8.250 nan 0.000 0.497 386 I N 1.065 121.549 120.570 -0.144 0.000 2.480 386 I HA -0.169 4.001 4.170 0.000 0.000 0.251 386 I C 1.418 177.496 176.117 -0.066 0.000 1.124 386 I CA 0.788 61.995 61.300 -0.155 0.000 1.444 386 I CB -0.073 37.773 38.000 -0.257 0.000 1.098 386 I HN 0.039 nan 8.210 nan 0.000 0.428 387 D N 1.439 121.814 120.400 -0.041 0.000 2.116 387 D HA -0.155 4.485 4.640 0.000 0.000 0.193 387 D C -0.508 175.788 176.300 -0.008 0.000 0.998 387 D CA 1.638 55.641 54.000 0.006 0.000 0.836 387 D CB -1.561 39.232 40.800 -0.011 0.000 0.951 387 D HN 0.240 nan 8.370 nan 0.000 0.449 388 P HA -0.036 nan 4.420 nan 0.000 0.218 388 P C 1.582 178.871 177.300 -0.017 0.000 1.149 388 P CA 0.787 63.868 63.100 -0.031 0.000 0.817 388 P CB 0.040 31.703 31.700 -0.063 0.000 0.785 389 I N -1.749 118.812 120.570 -0.016 0.000 2.406 389 I HA -0.151 4.019 4.170 0.000 0.000 0.249 389 I C 2.181 178.317 176.117 0.031 0.000 1.122 389 I CA 1.021 62.327 61.300 0.011 0.000 1.431 389 I CB -0.581 37.437 38.000 0.030 0.000 1.087 389 I HN -0.100 nan 8.210 nan 0.000 0.424 390 L N 0.636 121.872 121.223 0.021 0.000 2.083 390 L HA -0.206 4.134 4.340 0.000 0.000 0.209 390 L C 2.612 179.500 176.870 0.029 0.000 1.083 390 L CA 1.428 56.283 54.840 0.025 0.000 0.752 390 L CB -0.475 41.593 42.059 0.015 0.000 0.899 390 L HN 0.321 nan 8.230 nan 0.000 0.433 391 E N 0.303 120.523 120.200 0.034 0.000 2.150 391 E HA -0.204 4.146 4.350 0.000 0.000 0.193 391 E C 2.195 178.848 176.600 0.089 0.000 0.985 391 E CA 0.968 57.397 56.400 0.047 0.000 0.814 391 E CB 0.085 29.816 29.700 0.053 0.000 0.752 391 E HN 0.451 nan 8.360 nan 0.000 0.466 392 A N 1.511 124.395 122.820 0.106 0.000 1.898 392 A HA -0.181 4.139 4.320 0.000 0.000 0.216 392 A C 2.200 179.840 177.584 0.094 0.000 1.181 392 A CA 1.502 53.643 52.037 0.172 0.000 0.620 392 A CB -0.510 18.532 19.000 0.071 0.000 0.819 392 A HN 0.226 nan 8.150 nan 0.000 0.442 393 R N -0.528 119.987 120.500 0.025 0.000 2.075 393 R HA -0.169 4.172 4.340 0.000 0.000 0.232 393 R C 2.422 178.654 176.300 -0.112 0.000 1.126 393 R CA 1.736 57.798 56.100 -0.063 0.000 0.963 393 R CB -0.329 29.960 30.300 -0.019 0.000 0.858 393 R HN 0.707 nan 8.270 nan 0.000 0.435 394 Q N 0.269 120.061 119.800 -0.014 0.000 2.119 394 Q HA -0.161 4.179 4.340 0.000 0.000 0.201 394 Q C 1.152 177.212 176.000 0.101 0.000 0.972 394 Q CA 1.676 57.503 55.803 0.039 0.000 0.847 394 Q CB 0.247 29.001 28.738 0.025 0.000 0.903 394 Q HN 0.321 nan 8.270 nan 0.000 0.433 395 K N -1.760 118.617 120.400 -0.038 0.000 2.365 395 K HA 0.053 4.373 4.320 0.000 0.000 0.195 395 K C 0.981 177.348 176.600 -0.388 0.000 1.079 395 K CA 0.327 56.447 56.287 -0.278 0.000 0.979 395 K CB 0.551 32.638 32.500 -0.689 0.000 0.929 395 K HN 0.170 nan 8.250 nan 0.000 0.523 396 Y N -0.021 120.352 120.300 0.121 0.000 2.526 396 Y HA 0.338 4.888 4.550 0.001 0.000 0.265 396 Y C 0.915 176.822 175.900 0.013 0.000 1.092 396 Y CA -0.679 57.461 58.100 0.067 0.000 1.277 396 Y CB 0.454 38.870 38.460 -0.073 0.000 1.228 396 Y HN -0.155 nan 8.280 nan 0.000 0.507 397 A N 0.896 123.656 122.820 -0.101 0.000 3.030 397 A HA 0.370 4.690 4.320 0.000 0.000 0.273 397 A C -1.269 175.927 177.584 -0.647 0.000 1.841 397 A CA 0.412 52.290 52.037 -0.265 0.000 1.479 397 A CB -1.814 17.043 19.000 -0.238 0.000 1.048 397 A HN 0.354 nan 8.150 nan 0.000 0.612 398 Y N -0.290 120.003 120.300 -0.013 0.000 2.588 398 Y HA 0.622 5.172 4.550 0.000 0.000 0.343 398 Y C 0.750 176.669 175.900 0.032 0.000 1.065 398 Y CA -0.128 57.950 58.100 -0.037 0.000 1.038 398 Y CB 1.668 40.057 38.460 -0.119 0.000 1.297 398 Y HN 1.099 nan 8.280 nan 0.000 0.467 399 G N 1.401 110.322 108.800 0.202 0.000 2.728 399 G HA2 -0.212 3.748 3.960 0.000 0.000 0.294 399 G HA3 -0.212 3.748 3.960 0.000 0.000 0.294 399 G C -0.811 174.155 174.900 0.109 0.000 1.342 399 G CA -0.631 44.557 45.100 0.147 0.000 0.866 399 G HN 0.784 nan 8.290 nan 0.000 0.534 400 K N 0.101 120.564 120.400 0.104 0.000 2.489 400 K HA 0.287 4.608 4.320 0.000 0.000 0.278 400 K C 0.504 177.170 176.600 0.110 0.000 1.000 400 K CA 0.616 56.960 56.287 0.094 0.000 1.012 400 K CB 0.305 32.867 32.500 0.104 0.000 0.903 400 K HN 0.707 nan 8.250 nan 0.000 0.485 401 Q N 3.454 123.306 119.800 0.087 0.000 2.293 401 Q HA 0.205 4.545 4.340 0.000 0.000 0.261 401 Q C -1.312 174.756 176.000 0.112 0.000 0.960 401 Q CA -0.819 55.050 55.803 0.109 0.000 0.882 401 Q CB 1.055 29.820 28.738 0.045 0.000 1.275 401 Q HN 0.568 nan 8.270 nan 0.000 0.445 402 N N 3.716 122.528 118.700 0.186 0.000 2.407 402 N HA 0.272 5.013 4.740 0.000 0.000 0.277 402 N C -1.567 174.037 175.510 0.156 0.000 0.995 402 N CA -0.473 52.660 53.050 0.139 0.000 0.903 402 N CB 1.601 40.236 38.487 0.248 0.000 1.218 402 N HN 0.565 nan 8.380 nan 0.000 0.487 403 D N 0.867 121.250 120.400 -0.029 0.000 2.210 403 D HA 0.240 4.880 4.640 0.000 0.000 0.249 403 D C -0.277 175.895 176.300 -0.214 0.000 1.062 403 D CA 0.225 54.256 54.000 0.052 0.000 0.891 403 D CB 0.944 41.764 40.800 0.035 0.000 1.186 403 D HN 0.427 nan 8.370 nan 0.000 0.432 404 Y N 1.221 121.697 120.300 0.293 0.000 2.555 404 Y HA 0.243 4.794 4.550 0.001 0.000 0.317 404 Y C -0.177 175.887 175.900 0.274 0.000 0.928 404 Y CA -0.469 57.787 58.100 0.261 0.000 1.116 404 Y CB 0.379 38.989 38.460 0.250 0.000 1.169 404 Y HN 0.104 nan 8.280 nan 0.000 0.627 405 L N 2.318 123.745 121.223 0.340 0.000 2.648 405 L HA 0.198 4.538 4.340 0.000 0.000 0.238 405 L C 0.384 177.405 176.870 0.253 0.000 1.316 405 L CA 0.135 55.167 54.840 0.320 0.000 1.241 405 L CB -0.426 41.814 42.059 0.302 0.000 1.499 405 L HN 0.338 nan 8.230 nan 0.000 0.411 406 D N -2.376 118.191 120.400 0.278 0.000 2.501 406 D HA 0.095 4.735 4.640 0.000 0.000 0.224 406 D C 0.319 176.779 176.300 0.266 0.000 1.202 406 D CA -0.084 54.062 54.000 0.243 0.000 0.829 406 D CB 0.069 41.022 40.800 0.255 0.000 1.023 406 D HN 0.234 nan 8.370 nan 0.000 0.499 407 H N -0.093 119.058 119.070 0.135 0.000 2.974 407 H HA 0.131 4.687 4.556 0.000 0.000 0.366 407 H C 0.394 175.745 175.328 0.038 0.000 1.155 407 H CA -0.420 55.661 56.048 0.055 0.000 1.186 407 H CB 1.528 31.282 29.762 -0.013 0.000 1.799 407 H HN 0.069 nan 8.280 nan 0.000 0.541 408 H N 2.311 121.193 119.070 -0.312 0.000 2.518 408 H HA 0.006 4.562 4.556 0.000 0.000 0.289 408 H C 0.243 175.639 175.328 0.114 0.000 1.051 408 H CA 1.526 57.513 56.048 -0.102 0.000 1.280 408 H CB 0.363 30.014 29.762 -0.184 0.000 1.380 408 H HN 0.346 nan 8.280 nan 0.000 0.566 409 N N 0.313 119.038 118.700 0.042 0.000 2.742 409 N HA 0.181 4.921 4.740 0.000 0.000 0.233 409 N C 0.087 175.751 175.510 0.256 0.000 1.033 409 N CA 0.184 53.376 53.050 0.237 0.000 0.993 409 N CB 0.846 39.458 38.487 0.208 0.000 1.544 409 N HN 0.211 nan 8.380 nan 0.000 0.459 410 I N 3.686 124.404 120.570 0.247 0.000 2.301 410 I HA 0.298 4.468 4.170 0.000 0.000 0.292 410 I C -0.019 176.195 176.117 0.163 0.000 1.046 410 I CA -0.408 60.947 61.300 0.092 0.000 1.282 410 I CB 0.296 38.229 38.000 -0.112 0.000 1.409 410 I HN 0.100 nan 8.210 nan 0.000 0.484 411 I N 2.740 123.422 120.570 0.187 0.000 2.957 411 I HA 1.060 5.230 4.170 0.000 0.000 0.310 411 I C -0.000 176.230 176.117 0.189 0.000 1.063 411 I CA -0.627 60.830 61.300 0.261 0.000 1.033 411 I CB 2.337 40.549 38.000 0.352 0.000 1.230 411 I HN 0.540 nan 8.210 nan 0.000 0.447 412 G N 1.889 110.864 108.800 0.291 0.000 2.559 412 G HA2 0.648 4.608 3.960 0.000 0.000 0.291 412 G HA3 0.648 4.608 3.960 0.000 0.000 0.291 412 G C -2.558 172.605 174.900 0.438 0.000 1.424 412 G CA -0.679 44.460 45.100 0.065 0.000 0.786 412 G HN 1.144 nan 8.290 nan 0.000 0.485 413 W N -0.650 120.789 121.300 0.231 0.000 3.275 413 W HA 0.726 5.387 4.660 0.001 0.000 0.306 413 W C -0.402 176.216 176.519 0.166 0.000 1.259 413 W CA -0.747 56.765 57.345 0.278 0.000 1.194 413 W CB 0.751 30.322 29.460 0.185 0.000 1.375 413 W HN 0.911 nan 8.180 nan 0.000 0.564 414 T N -0.117 114.681 114.554 0.408 0.000 2.930 414 T HA 0.812 5.162 4.350 0.000 0.000 0.290 414 T C -0.805 174.057 174.700 0.271 0.000 1.052 414 T CA -1.135 61.103 62.100 0.229 0.000 1.017 414 T CB 2.061 71.017 68.868 0.146 0.000 1.137 414 T HN 0.610 nan 8.240 nan 0.000 0.511 415 R N 1.187 121.815 120.500 0.212 0.000 2.513 415 R HA 0.363 4.703 4.340 0.000 0.000 0.301 415 R C 0.256 176.661 176.300 0.175 0.000 0.968 415 R CA -0.558 55.653 56.100 0.185 0.000 0.872 415 R CB 1.563 31.960 30.300 0.162 0.000 1.177 415 R HN 0.884 nan 8.270 nan 0.000 0.444 416 E N 1.148 121.437 120.200 0.148 0.000 2.481 416 E HA 0.098 4.448 4.350 0.000 0.000 0.195 416 E C 0.579 177.268 176.600 0.148 0.000 1.047 416 E CA 0.474 56.949 56.400 0.125 0.000 0.867 416 E CB 0.233 29.990 29.700 0.095 0.000 0.858 416 E HN 0.922 nan 8.360 nan 0.000 0.513 417 G N 2.126 111.028 108.800 0.170 0.000 2.829 417 G HA2 -0.227 3.733 3.960 0.000 0.000 0.628 417 G HA3 -0.227 3.733 3.960 0.000 0.000 0.628 417 G C -0.638 174.357 174.900 0.159 0.000 1.412 417 G CA -0.236 44.978 45.100 0.189 0.000 0.864 417 G HN 0.350 nan 8.290 nan 0.000 0.544 418 N N -2.712 116.079 118.700 0.152 0.000 2.571 418 N HA 0.680 5.420 4.740 0.000 0.000 0.273 418 N C 0.914 176.461 175.510 0.061 0.000 1.340 418 N CA 0.239 53.354 53.050 0.108 0.000 0.789 418 N CB 0.969 39.532 38.487 0.128 0.000 1.514 418 N HN 1.044 nan 8.380 nan 0.000 0.499 419 T N -4.003 110.566 114.554 0.025 0.000 3.035 419 T HA 0.053 4.404 4.350 0.000 0.000 0.268 419 T C 1.576 176.225 174.700 -0.085 0.000 1.109 419 T CA 0.726 62.816 62.100 -0.015 0.000 1.119 419 T CB -0.555 68.305 68.868 -0.014 0.000 0.900 419 T HN 0.666 nan 8.240 nan 0.000 0.503 420 A N 1.055 123.805 122.820 -0.117 0.000 2.121 420 A HA 0.072 4.392 4.320 0.000 0.000 0.218 420 A C 0.445 177.621 177.584 -0.680 0.000 1.154 420 A CA 0.608 52.449 52.037 -0.328 0.000 0.679 420 A CB -0.504 18.323 19.000 -0.288 0.000 0.795 420 A HN 0.748 nan 8.150 nan 0.000 0.458 421 H N -1.413 117.498 119.070 -0.265 0.000 2.906 421 H HA 0.412 4.968 4.556 0.000 0.000 0.324 421 H C -2.938 172.283 175.328 -0.179 0.000 0.973 421 H CA -2.129 53.728 56.048 -0.318 0.000 1.321 421 H CB 0.797 30.177 29.762 -0.637 0.000 1.535 421 H HN -0.006 nan 8.280 nan 0.000 0.518 422 P HA -0.073 nan 4.420 nan 0.000 0.261 422 P C -0.218 177.080 177.300 -0.004 0.000 1.183 422 P CA 0.530 63.607 63.100 -0.039 0.000 0.761 422 P CB 0.180 31.846 31.700 -0.057 0.000 0.785 423 N N -0.766 117.962 118.700 0.045 0.000 2.713 423 N HA -0.207 4.533 4.740 0.000 0.000 0.251 423 N C -0.163 175.448 175.510 0.169 0.000 1.117 423 N CA 0.716 53.825 53.050 0.100 0.000 0.770 423 N CB -1.433 37.127 38.487 0.122 0.000 1.137 423 N HN 0.555 nan 8.380 nan 0.000 0.566 424 S N -0.162 115.618 115.700 0.133 0.000 2.584 424 S HA 0.605 5.075 4.470 0.000 0.000 0.270 424 S C 0.844 175.572 174.600 0.212 0.000 1.346 424 S CA 0.118 58.446 58.200 0.213 0.000 1.018 424 S CB 1.838 65.152 63.200 0.191 0.000 0.899 424 S HN 0.932 nan 8.310 nan 0.000 0.542 425 G N 0.098 109.034 108.800 0.227 0.000 2.402 425 G HA2 0.462 4.422 3.960 0.000 0.000 0.666 425 G HA3 0.462 4.422 3.960 0.000 0.000 0.666 425 G C -1.454 173.422 174.900 -0.041 0.000 1.402 425 G CA -0.489 44.697 45.100 0.144 0.000 0.920 425 G HN 1.891 nan 8.290 nan 0.000 0.651 426 L N -2.107 119.152 121.223 0.061 0.000 2.892 426 L HA 1.065 5.405 4.340 0.000 0.000 0.269 426 L C -0.243 176.707 176.870 0.133 0.000 1.058 426 L CA -0.808 54.011 54.840 -0.035 0.000 0.923 426 L CB 1.342 43.364 42.059 -0.063 0.000 1.518 426 L HN 2.408 nan 8.230 nan 0.000 0.402 427 A N 0.147 122.961 122.820 -0.009 0.000 2.569 427 A HA 0.750 5.070 4.320 0.000 0.000 0.282 427 A C -0.514 176.859 177.584 -0.352 0.000 1.165 427 A CA -0.307 51.526 52.037 -0.341 0.000 0.747 427 A CB 0.655 18.955 19.000 -1.168 0.000 1.215 427 A HN 0.701 nan 8.150 nan 0.000 0.431 428 T N 2.806 117.052 114.554 -0.514 0.000 2.806 428 T HA 0.579 4.930 4.350 0.000 0.000 0.290 428 T C -0.233 174.079 174.700 -0.648 0.000 0.966 428 T CA 0.181 61.887 62.100 -0.656 0.000 1.060 428 T CB 0.597 68.797 68.868 -1.114 0.000 0.927 428 T HN 0.643 nan 8.240 nan 0.000 0.485 429 I N 5.026 125.380 120.570 -0.360 0.000 2.569 429 I HA 0.652 4.822 4.170 0.000 0.000 0.290 429 I C -1.174 174.860 176.117 -0.139 0.000 1.088 429 I CA -1.222 59.957 61.300 -0.200 0.000 1.047 429 I CB 1.340 39.335 38.000 -0.009 0.000 1.237 429 I HN 0.767 nan 8.210 nan 0.000 0.421 430 M N 4.791 124.336 119.600 -0.091 0.000 2.618 430 M HA 0.661 5.141 4.480 0.000 0.000 0.281 430 M C -1.526 174.804 176.300 0.050 0.000 1.267 430 M CA -0.677 54.603 55.300 -0.034 0.000 0.845 430 M CB 2.157 34.717 32.600 -0.068 0.000 1.732 430 M HN 0.400 nan 8.290 nan 0.000 0.461 431 S N 0.228 115.981 115.700 0.088 0.000 2.614 431 S HA 0.322 4.792 4.470 0.000 0.000 0.275 431 S C -0.683 174.069 174.600 0.252 0.000 1.161 431 S CA -0.511 57.781 58.200 0.152 0.000 0.969 431 S CB 1.390 64.656 63.200 0.110 0.000 1.059 431 S HN 0.901 nan 8.310 nan 0.000 0.482 432 D N 3.066 123.671 120.400 0.342 0.000 2.328 432 D HA 0.237 4.877 4.640 0.000 0.000 0.226 432 D C 0.804 177.349 176.300 0.408 0.000 1.066 432 D CA 0.128 54.456 54.000 0.547 0.000 0.861 432 D CB 0.200 41.342 40.800 0.569 0.000 0.912 432 D HN 0.547 nan 8.370 nan 0.000 0.521 433 G N -0.172 108.784 108.800 0.260 0.000 3.137 433 G HA2 0.535 4.496 3.960 0.000 0.000 0.196 433 G HA3 0.535 4.496 3.960 0.000 0.000 0.196 433 G C -0.836 174.133 174.900 0.115 0.000 1.135 433 G CA -0.201 44.996 45.100 0.162 0.000 0.803 433 G HN 0.290 nan 8.290 nan 0.000 0.619 434 A N -0.465 122.411 122.820 0.094 0.000 2.520 434 A HA 0.549 4.869 4.320 0.000 0.000 0.235 434 A C 1.088 178.703 177.584 0.053 0.000 1.065 434 A CA 0.777 52.853 52.037 0.064 0.000 0.764 434 A CB -0.355 18.681 19.000 0.061 0.000 1.002 434 A HN 1.565 nan 8.150 nan 0.000 0.502 435 G N -0.364 108.459 108.800 0.038 0.000 2.653 435 G HA2 0.611 4.571 3.960 0.000 0.000 0.265 435 G HA3 0.611 4.571 3.960 0.000 0.000 0.265 435 G C 0.384 175.284 174.900 0.000 0.000 1.237 435 G CA 0.221 45.338 45.100 0.028 0.000 0.946 435 G HN 1.852 nan 8.290 nan 0.000 0.522 436 G N -1.527 107.267 108.800 -0.011 0.000 2.356 436 G HA2 0.622 4.583 3.960 0.000 0.000 0.281 436 G HA3 0.622 4.583 3.960 0.000 0.000 0.281 436 G C -0.617 174.252 174.900 -0.053 0.000 1.246 436 G CA 0.530 45.604 45.100 -0.043 0.000 0.889 436 G HN 1.717 nan 8.290 nan 0.000 0.486 437 S N -1.092 114.553 115.700 -0.091 0.000 2.661 437 S HA 0.869 5.339 4.470 0.000 0.000 0.285 437 S C -1.065 173.459 174.600 -0.126 0.000 1.138 437 S CA -0.610 57.511 58.200 -0.132 0.000 0.855 437 S CB 2.712 65.779 63.200 -0.221 0.000 1.136 437 S HN 0.983 nan 8.310 nan 0.000 0.484 438 K N 0.265 120.571 120.400 -0.157 0.000 2.561 438 K HA 0.293 4.613 4.320 0.000 0.000 0.254 438 K C -2.122 174.416 176.600 -0.103 0.000 0.942 438 K CA -0.457 55.789 56.287 -0.068 0.000 0.818 438 K CB 1.271 33.766 32.500 -0.008 0.000 1.306 438 K HN 0.758 nan 8.250 nan 0.000 0.435 439 W N 5.321 126.614 121.300 -0.013 0.000 2.266 439 W HA 0.365 5.025 4.660 0.000 0.000 0.317 439 W C 0.162 176.765 176.519 0.141 0.000 1.310 439 W CA -0.147 57.234 57.345 0.061 0.000 1.207 439 W CB 0.810 30.310 29.460 0.065 0.000 1.199 439 W HN 0.246 nan 8.180 nan 0.000 0.544 440 M N 3.902 123.725 119.600 0.371 0.000 2.433 440 M HA 0.281 4.761 4.480 0.000 0.000 0.290 440 M C -1.222 175.034 176.300 -0.074 0.000 1.173 440 M CA -1.084 54.157 55.300 -0.098 0.000 0.905 440 M CB 2.327 34.669 32.600 -0.430 0.000 1.692 440 M HN 0.172 nan 8.290 nan 0.000 0.462 441 F N 2.779 122.346 119.950 -0.638 0.000 2.445 441 F HA 0.394 4.921 4.527 0.000 0.000 0.359 441 F C 0.598 176.225 175.800 -0.289 0.000 1.101 441 F CA -0.238 57.232 58.000 -0.884 0.000 1.177 441 F CB 0.871 39.234 39.000 -1.060 0.000 1.110 441 F HN 0.350 nan 8.300 nan 0.000 0.522 442 V N 2.895 122.293 119.914 -0.859 0.000 3.528 442 V HA 0.659 4.779 4.120 0.000 0.000 0.294 442 V C 0.481 176.152 176.094 -0.704 0.000 1.404 442 V CA 0.259 62.237 62.300 -0.536 0.000 1.065 442 V CB -0.332 31.274 31.823 -0.361 0.000 0.904 442 V HN 1.367 nan 8.190 nan 0.000 0.435 443 G N 1.006 108.878 108.800 -1.545 0.000 3.014 443 G HA2 -0.064 3.896 3.960 0.000 0.000 0.683 443 G HA3 -0.064 3.896 3.960 0.000 0.000 0.683 443 G C -0.054 174.580 174.900 -0.443 0.000 1.271 443 G CA -0.226 44.327 45.100 -0.912 0.000 0.843 443 G HN 0.214 nan 8.290 nan 0.000 0.612 444 R N 1.098 121.552 120.500 -0.078 0.000 2.152 444 R HA -0.135 4.205 4.340 0.000 0.000 0.232 444 R C 2.379 178.698 176.300 0.032 0.000 1.117 444 R CA 1.671 57.810 56.100 0.065 0.000 0.981 444 R CB -0.212 30.198 30.300 0.184 0.000 0.870 444 R HN 0.807 nan 8.270 nan 0.000 0.451 445 N N 0.641 119.358 118.700 0.029 0.000 2.550 445 N HA -0.088 4.653 4.740 0.000 0.000 0.186 445 N C 0.784 176.326 175.510 0.052 0.000 1.110 445 N CA 0.351 53.429 53.050 0.047 0.000 0.912 445 N CB 0.169 38.690 38.487 0.057 0.000 0.968 445 N HN -0.030 nan 8.380 nan 0.000 0.448 446 K N 0.609 121.023 120.400 0.024 0.000 2.374 446 K HA 0.230 4.550 4.320 0.000 0.000 0.196 446 K C 0.337 176.950 176.600 0.021 0.000 1.023 446 K CA -0.200 56.129 56.287 0.070 0.000 1.103 446 K CB 0.320 32.871 32.500 0.085 0.000 0.848 446 K HN 0.260 nan 8.250 nan 0.000 0.528 447 A N 0.821 123.643 122.820 0.003 0.000 2.584 447 A HA 0.338 4.659 4.320 0.000 0.000 0.239 447 A C 1.392 178.988 177.584 0.020 0.000 1.043 447 A CA 1.276 53.315 52.037 0.003 0.000 0.756 447 A CB -0.495 18.524 19.000 0.031 0.000 0.963 447 A HN 0.571 nan 8.150 nan 0.000 0.511 448 G N 1.232 110.034 108.800 0.002 0.000 2.253 448 G HA2 -0.252 3.708 3.960 0.000 0.000 0.251 448 G HA3 -0.252 3.708 3.960 0.000 0.000 0.251 448 G C 0.325 175.253 174.900 0.046 0.000 0.998 448 G CA 0.528 45.640 45.100 0.020 0.000 0.621 448 G HN 1.008 nan 8.290 nan 0.000 0.524 449 Q N 0.016 119.863 119.800 0.078 0.000 2.392 449 Q HA 0.454 4.795 4.340 0.000 0.000 0.262 449 Q C -0.087 176.029 176.000 0.194 0.000 1.003 449 Q CA 0.151 56.072 55.803 0.196 0.000 0.888 449 Q CB 1.804 30.786 28.738 0.406 0.000 1.260 449 Q HN 0.221 nan 8.270 nan 0.000 0.435 450 V N 3.029 123.103 119.914 0.266 0.000 2.293 450 V HA 0.176 4.297 4.120 0.000 0.000 0.275 450 V C -0.776 175.568 176.094 0.416 0.000 1.021 450 V CA -0.698 61.743 62.300 0.236 0.000 0.815 450 V CB -0.075 31.831 31.823 0.138 0.000 1.025 450 V HN 0.624 nan 8.190 nan 0.000 0.448 451 W N 2.897 124.249 121.300 0.087 0.000 2.303 451 W HA 0.682 5.342 4.660 -0.000 0.000 0.334 451 W C 0.695 177.399 176.519 0.308 0.000 1.197 451 W CA -0.749 56.700 57.345 0.172 0.000 1.262 451 W CB 1.310 30.919 29.460 0.250 0.000 1.153 451 W HN 0.590 nan 8.180 nan 0.000 0.596 452 S N 0.032 116.008 115.700 0.460 0.000 2.595 452 S HA 0.317 4.788 4.470 0.000 0.000 0.281 452 S C -1.285 173.298 174.600 -0.029 0.000 1.117 452 S CA -0.990 57.414 58.200 0.341 0.000 0.873 452 S CB 2.252 65.525 63.200 0.122 0.000 1.108 452 S HN 0.331 nan 8.310 nan 0.000 0.477 453 D N 0.831 120.915 120.400 -0.527 0.000 2.352 453 D HA 0.187 4.827 4.640 0.000 0.000 0.245 453 D C 0.800 176.831 176.300 -0.449 0.000 1.224 453 D CA -0.485 52.989 54.000 -0.877 0.000 0.879 453 D CB 0.252 40.312 40.800 -1.233 0.000 1.057 453 D HN 0.600 nan 8.370 nan 0.000 0.491 454 I N 2.980 123.328 120.570 -0.371 0.000 2.700 454 I HA -0.251 3.919 4.170 0.000 0.000 0.261 454 I C 1.814 177.814 176.117 -0.195 0.000 1.219 454 I CA 1.357 62.515 61.300 -0.237 0.000 1.463 454 I CB 0.168 38.046 38.000 -0.203 0.000 1.092 454 I HN 0.503 nan 8.210 nan 0.000 0.452 455 T N -2.833 111.574 114.554 -0.245 0.000 3.043 455 T HA 0.139 4.489 4.350 0.000 0.000 0.263 455 T C 1.630 176.231 174.700 -0.165 0.000 1.094 455 T CA 0.693 62.682 62.100 -0.184 0.000 1.127 455 T CB 0.178 68.931 68.868 -0.191 0.000 0.905 455 T HN 0.524 nan 8.240 nan 0.000 0.490 456 G N 1.677 110.354 108.800 -0.205 0.000 2.179 456 G HA2 -0.339 3.621 3.960 0.000 0.000 0.260 456 G HA3 -0.339 3.621 3.960 0.000 0.000 0.260 456 G C 0.993 175.810 174.900 -0.139 0.000 0.977 456 G CA 0.399 45.406 45.100 -0.155 0.000 0.641 456 G HN 0.505 nan 8.290 nan 0.000 0.533 457 N N 0.114 118.718 118.700 -0.160 0.000 2.166 457 N HA -0.049 4.691 4.740 0.000 0.000 0.186 457 N C 1.050 176.506 175.510 -0.091 0.000 1.019 457 N CA 1.061 54.045 53.050 -0.110 0.000 0.856 457 N CB -0.081 38.342 38.487 -0.107 0.000 0.993 457 N HN 0.423 nan 8.380 nan 0.000 0.426 458 R N 0.315 120.724 120.500 -0.152 0.000 2.445 458 R HA 0.220 4.560 4.340 0.000 0.000 0.308 458 R C 0.877 177.140 176.300 -0.061 0.000 0.961 458 R CA -0.071 55.998 56.100 -0.053 0.000 0.862 458 R CB 1.096 31.418 30.300 0.036 0.000 1.144 458 R HN 0.184 nan 8.270 nan 0.000 0.447 459 T N -1.843 112.728 114.554 0.028 0.000 3.044 459 T HA 0.128 4.479 4.350 0.000 0.000 0.250 459 T C 1.123 175.881 174.700 0.097 0.000 1.081 459 T CA 0.180 62.299 62.100 0.032 0.000 1.040 459 T CB 0.436 69.316 68.868 0.021 0.000 0.962 459 T HN 0.514 nan 8.240 nan 0.000 0.506 460 G N 1.623 110.533 108.800 0.183 0.000 2.494 460 G HA2 0.527 4.487 3.960 0.000 0.000 0.270 460 G HA3 0.527 4.487 3.960 0.000 0.000 0.270 460 G C -0.196 174.894 174.900 0.317 0.000 1.423 460 G CA 0.022 45.238 45.100 0.193 0.000 1.055 460 G HN 0.621 nan 8.290 nan 0.000 0.536 461 T N -4.114 110.567 114.554 0.211 0.000 2.901 461 T HA 0.630 4.980 4.350 0.000 0.000 0.293 461 T C -1.199 173.474 174.700 -0.045 0.000 1.084 461 T CA -0.733 61.501 62.100 0.223 0.000 1.008 461 T CB 1.940 70.895 68.868 0.145 0.000 1.170 461 T HN 0.576 nan 8.240 nan 0.000 0.509 462 V N 1.569 121.419 119.914 -0.108 0.000 2.525 462 V HA 0.488 4.608 4.120 0.000 0.000 0.299 462 V C -0.122 175.816 176.094 -0.260 0.000 1.034 462 V CA -0.732 61.332 62.300 -0.394 0.000 0.863 462 V CB 1.854 33.194 31.823 -0.805 0.000 0.999 462 V HN 1.147 nan 8.190 nan 0.000 0.423 463 T N 6.339 120.734 114.554 -0.266 0.000 2.743 463 T HA 0.456 4.806 4.350 0.000 0.000 0.293 463 T C 0.167 174.703 174.700 -0.274 0.000 0.945 463 T CA -0.303 61.683 62.100 -0.190 0.000 1.030 463 T CB 0.444 69.250 68.868 -0.104 0.000 0.912 463 T HN 0.309 nan 8.240 nan 0.000 0.483 464 I N 4.883 125.268 120.570 -0.309 0.000 2.598 464 I HA 0.075 4.245 4.170 0.000 0.000 0.284 464 I C 1.014 177.063 176.117 -0.113 0.000 1.140 464 I CA -0.586 60.531 61.300 -0.304 0.000 1.420 464 I CB -0.658 37.119 38.000 -0.371 0.000 1.387 464 I HN 0.696 nan 8.210 nan 0.000 0.553 465 N N 5.441 124.133 118.700 -0.014 0.000 2.317 465 N HA 0.169 4.910 4.740 0.000 0.000 0.245 465 N C 0.949 176.498 175.510 0.065 0.000 1.294 465 N CA 0.036 53.118 53.050 0.053 0.000 0.924 465 N CB 0.314 38.876 38.487 0.125 0.000 1.186 465 N HN 0.575 nan 8.380 nan 0.000 0.495 466 A N -0.577 122.281 122.820 0.064 0.000 2.032 466 A HA -0.187 4.133 4.320 0.000 0.000 0.221 466 A C 0.988 178.640 177.584 0.114 0.000 1.165 466 A CA 1.653 53.731 52.037 0.069 0.000 0.645 466 A CB -0.618 18.412 19.000 0.051 0.000 0.807 466 A HN 0.757 nan 8.150 nan 0.000 0.453 467 D N -1.633 118.877 120.400 0.182 0.000 2.340 467 D HA 0.288 4.929 4.640 0.000 0.000 0.217 467 D C 1.226 177.771 176.300 0.409 0.000 1.081 467 D CA 0.904 55.086 54.000 0.303 0.000 0.842 467 D CB 0.186 41.193 40.800 0.345 0.000 0.934 467 D HN 0.595 nan 8.370 nan 0.000 0.511 468 G N 0.840 109.759 108.800 0.198 0.000 2.141 468 G HA2 -0.244 3.716 3.960 0.000 0.000 0.242 468 G HA3 -0.244 3.716 3.960 0.000 0.000 0.242 468 G C -0.357 174.434 174.900 -0.182 0.000 0.982 468 G CA -0.376 44.681 45.100 -0.072 0.000 0.662 468 G HN 0.155 nan 8.290 nan 0.000 0.527 469 W N 0.070 121.404 121.300 0.057 0.000 2.496 469 W HA 0.667 5.328 4.660 0.000 0.000 0.327 469 W C 0.552 177.049 176.519 -0.038 0.000 1.086 469 W CA 0.103 57.520 57.345 0.119 0.000 1.222 469 W CB 1.996 31.607 29.460 0.251 0.000 1.304 469 W HN 0.527 nan 8.180 nan 0.000 0.547 470 G N 1.743 110.496 108.800 -0.079 0.000 2.524 470 G HA2 0.280 4.240 3.960 0.000 0.000 0.310 470 G HA3 0.280 4.240 3.960 0.000 0.000 0.310 470 G C -1.493 172.617 174.900 -1.316 0.000 1.279 470 G CA -0.869 43.685 45.100 -0.910 0.000 0.974 470 G HN 0.319 nan 8.290 nan 0.000 0.484 471 N N 1.006 118.742 118.700 -1.606 0.000 2.645 471 N HA 0.363 5.103 4.740 0.000 0.000 0.233 471 N C -0.880 173.860 175.510 -1.284 0.000 1.058 471 N CA -0.621 51.403 53.050 -1.710 0.000 0.942 471 N CB -0.113 37.176 38.487 -1.997 0.000 1.210 471 N HN 0.205 nan 8.380 nan 0.000 0.512 472 F N 0.658 120.176 119.950 -0.719 0.000 2.399 472 F HA 0.354 4.881 4.527 0.000 0.000 0.342 472 F C 1.400 176.939 175.800 -0.435 0.000 1.106 472 F CA -0.554 56.998 58.000 -0.747 0.000 1.196 472 F CB 0.925 39.561 39.000 -0.607 0.000 1.163 472 F HN 0.250 nan 8.300 nan 0.000 0.547 473 S N 1.463 117.105 115.700 -0.097 0.000 2.638 473 S HA 0.889 5.360 4.470 0.000 0.000 0.302 473 S C -1.093 173.690 174.600 0.305 0.000 1.096 473 S CA -0.831 57.415 58.200 0.078 0.000 0.953 473 S CB 1.997 65.208 63.200 0.019 0.000 1.107 473 S HN 0.705 nan 8.310 nan 0.000 0.503 474 V N 1.108 121.117 119.914 0.159 0.000 3.048 474 V HA 0.498 4.618 4.120 0.000 0.000 0.303 474 V C -1.474 174.664 176.094 0.075 0.000 1.214 474 V CA -0.864 61.513 62.300 0.129 0.000 0.984 474 V CB 2.247 34.121 31.823 0.085 0.000 1.054 474 V HN 1.044 nan 8.190 nan 0.000 0.430 475 N N 2.376 121.111 118.700 0.059 0.000 2.408 475 N HA 0.394 5.134 4.740 0.000 0.000 0.260 475 N C 0.264 175.807 175.510 0.055 0.000 1.242 475 N CA 0.464 53.542 53.050 0.047 0.000 0.959 475 N CB 1.162 39.671 38.487 0.036 0.000 1.201 475 N HN 0.991 nan 8.380 nan 0.000 0.511 476 G N -1.541 107.291 108.800 0.053 0.000 2.491 476 G HA2 0.357 4.318 3.960 0.000 0.000 0.242 476 G HA3 0.357 4.318 3.960 0.000 0.000 0.242 476 G C 0.722 175.685 174.900 0.105 0.000 1.266 476 G CA 0.081 45.221 45.100 0.068 0.000 0.844 476 G HN 0.745 nan 8.290 nan 0.000 0.571 477 G N -0.500 108.402 108.800 0.170 0.000 2.395 477 G HA2 0.079 4.039 3.960 0.000 0.000 0.292 477 G HA3 0.079 4.039 3.960 0.000 0.000 0.292 477 G C 0.375 175.443 174.900 0.281 0.000 0.953 477 G CA 1.175 46.472 45.100 0.329 0.000 1.207 477 G HN 1.566 nan 8.290 nan 0.000 0.503 478 S N -2.070 113.726 115.700 0.159 0.000 2.672 478 S HA 0.777 5.247 4.470 0.000 0.000 0.271 478 S C -1.017 173.579 174.600 -0.007 0.000 1.171 478 S CA 0.177 58.416 58.200 0.064 0.000 0.817 478 S CB 2.146 65.374 63.200 0.047 0.000 1.150 478 S HN 1.705 nan 8.310 nan 0.000 0.478 479 V N 1.287 121.166 119.914 -0.058 0.000 2.841 479 V HA 0.876 4.997 4.120 0.000 0.000 0.310 479 V C -1.156 174.855 176.094 -0.138 0.000 1.090 479 V CA -0.079 62.159 62.300 -0.103 0.000 0.930 479 V CB 1.976 33.717 31.823 -0.137 0.000 1.014 479 V HN 0.913 nan 8.190 nan 0.000 0.425 480 S N 6.252 121.849 115.700 -0.171 0.000 2.526 480 S HA 0.716 5.186 4.470 0.000 0.000 0.293 480 S C -0.789 173.590 174.600 -0.368 0.000 1.092 480 S CA -0.442 57.566 58.200 -0.321 0.000 0.980 480 S CB 1.568 64.576 63.200 -0.320 0.000 1.048 480 S HN 0.643 nan 8.310 nan 0.000 0.483 481 I N 2.484 122.770 120.570 -0.474 0.000 2.495 481 I HA 0.299 4.469 4.170 0.000 0.000 0.277 481 I C -1.303 174.566 176.117 -0.415 0.000 1.045 481 I CA -0.403 60.685 61.300 -0.353 0.000 1.135 481 I CB 0.772 38.629 38.000 -0.238 0.000 1.241 481 I HN 0.568 nan 8.210 nan 0.000 0.469 482 W N 6.841 128.031 121.300 -0.183 0.000 2.287 482 W HA 0.511 5.171 4.660 -0.000 0.000 0.313 482 W C 0.157 176.543 176.519 -0.221 0.000 1.267 482 W CA -0.402 56.907 57.345 -0.059 0.000 1.201 482 W CB 0.886 30.448 29.460 0.169 0.000 1.196 482 W HN 0.214 nan 8.180 nan 0.000 0.536 483 V N 0.743 120.474 119.914 -0.306 0.000 3.159 483 V HA 0.490 4.610 4.120 0.000 0.000 0.308 483 V C -0.718 174.657 176.094 -1.197 0.000 1.190 483 V CA -1.373 60.262 62.300 -1.108 0.000 1.037 483 V CB 2.147 33.116 31.823 -1.423 0.000 1.060 483 V HN 0.462 nan 8.190 nan 0.000 0.437 484 N N 1.978 119.775 118.700 -1.506 0.000 3.298 484 N HA 0.258 4.999 4.740 0.000 0.000 0.292 484 N C -0.037 175.277 175.510 -0.328 0.000 1.271 484 N CA -0.371 52.183 53.050 -0.827 0.000 1.184 484 N CB -0.284 37.884 38.487 -0.531 0.000 1.452 484 N HN 0.906 nan 8.380 nan 0.000 0.534 485 K N 0.000 120.234 120.400 -0.276 0.000 2.780 485 K HA 0.000 4.320 4.320 0.000 0.000 0.191 485 K CA 0.000 56.242 56.287 -0.075 0.000 0.838 485 K CB 0.000 32.443 32.500 -0.094 0.000 1.064 485 K HN 0.000 nan 8.250 nan 0.000 0.543