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 3k6m_1_C DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRXXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.775 174.700 0.124 0.000 1.109 1 T CA 0.000 62.149 62.100 0.082 0.000 1.349 1 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 2 K N 2.265 122.726 120.400 0.102 0.000 2.234 2 K HA 0.505 4.825 4.320 -0.000 0.000 0.277 2 K C -0.759 175.908 176.600 0.112 0.000 1.038 2 K CA -0.553 55.819 56.287 0.142 0.000 0.888 2 K CB 0.584 33.175 32.500 0.152 0.000 1.091 2 K HN 0.449 nan 8.250 nan 0.000 0.467 3 F N 2.808 122.791 119.950 0.056 0.000 2.420 3 F HA 0.199 4.726 4.527 -0.000 0.000 0.352 3 F C 0.287 176.087 175.800 0.000 0.000 1.108 3 F CA -0.239 57.812 58.000 0.086 0.000 1.162 3 F CB 0.430 39.453 39.000 0.038 0.000 1.118 3 F HN 0.342 nan 8.300 nan 0.000 0.510 4 Y N 0.592 120.979 120.300 0.145 0.000 2.387 4 Y HA 0.240 4.790 4.550 -0.000 0.000 0.336 4 Y C 1.374 177.339 175.900 0.109 0.000 1.067 4 Y CA -0.838 57.325 58.100 0.105 0.000 1.114 4 Y CB 1.801 40.299 38.460 0.063 0.000 1.208 4 Y HN 0.642 nan 8.280 nan 0.000 0.458 5 T N -2.755 111.919 114.554 0.200 0.000 3.081 5 T HA 0.094 4.444 4.350 -0.000 0.000 0.255 5 T C -0.089 174.695 174.700 0.140 0.000 1.113 5 T CA 0.434 62.620 62.100 0.144 0.000 1.082 5 T CB -0.075 68.843 68.868 0.083 0.000 0.939 5 T HN 0.546 nan 8.240 nan 0.000 0.506 6 D N -0.545 119.965 120.400 0.183 0.000 2.936 6 D HA 0.659 5.299 4.640 -0.000 0.000 0.238 6 D C 0.893 177.259 176.300 0.110 0.000 1.248 6 D CA -0.263 53.813 54.000 0.127 0.000 0.903 6 D CB 1.496 42.361 40.800 0.110 0.000 1.544 6 D HN -0.018 nan 8.370 nan 0.000 0.543 7 A N 2.534 125.382 122.820 0.047 0.000 1.933 7 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 7 A C 1.997 179.559 177.584 -0.037 0.000 1.175 7 A CA 1.409 53.441 52.037 -0.008 0.000 0.628 7 A CB -0.547 18.442 19.000 -0.018 0.000 0.814 7 A HN 0.497 nan 8.150 nan 0.000 0.444 8 V N 0.308 120.215 119.914 -0.012 0.000 2.343 8 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 8 V C 2.529 178.614 176.094 -0.016 0.000 1.051 8 V CA 2.107 64.394 62.300 -0.022 0.000 1.036 8 V CB -0.691 31.128 31.823 -0.007 0.000 0.654 8 V HN 0.509 nan 8.190 nan 0.000 0.451 9 E N 0.330 120.556 120.200 0.043 0.000 2.153 9 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 9 E C 2.298 178.893 176.600 -0.009 0.000 0.988 9 E CA 1.407 57.870 56.400 0.105 0.000 0.811 9 E CB -0.457 29.395 29.700 0.253 0.000 0.746 9 E HN 0.593 nan 8.360 nan 0.000 0.466 10 A N 0.854 123.517 122.820 -0.263 0.000 2.067 10 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 10 A C 2.133 179.528 177.584 -0.314 0.000 1.158 10 A CA 1.441 53.039 52.037 -0.732 0.000 0.661 10 A CB -0.106 18.470 19.000 -0.707 0.000 0.801 10 A HN 0.177 nan 8.150 nan 0.000 0.452 11 V N -4.179 115.625 119.914 -0.183 0.000 3.276 11 V HA 0.323 4.443 4.120 -0.000 0.000 0.319 11 V C 1.342 177.328 176.094 -0.180 0.000 1.427 11 V CA 0.620 62.809 62.300 -0.185 0.000 1.102 11 V CB -0.258 31.457 31.823 -0.180 0.000 1.020 11 V HN 0.349 nan 8.190 nan 0.000 0.456 12 K N 2.137 122.481 120.400 -0.093 0.000 2.211 12 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 12 K C 1.478 178.039 176.600 -0.066 0.000 1.050 12 K CA 1.754 58.004 56.287 -0.061 0.000 0.945 12 K CB 0.064 32.562 32.500 -0.004 0.000 0.732 12 K HN 0.789 nan 8.250 nan 0.000 0.451 13 D N 0.022 120.390 120.400 -0.053 0.000 2.328 13 D HA -0.023 4.617 4.640 -0.000 0.000 0.221 13 D C 0.292 176.541 176.300 -0.084 0.000 1.072 13 D CA -0.103 53.897 54.000 -0.000 0.000 0.850 13 D CB -0.255 40.619 40.800 0.124 0.000 0.922 13 D HN 0.151 nan 8.370 nan 0.000 0.516 14 I N 2.690 123.025 120.570 -0.392 0.000 2.587 14 I HA 0.086 4.256 4.170 -0.000 0.000 0.284 14 I C -1.809 174.190 176.117 -0.196 0.000 1.134 14 I CA -1.390 59.553 61.300 -0.594 0.000 1.410 14 I CB 0.425 37.955 38.000 -0.783 0.000 1.392 14 I HN -0.146 nan 8.210 nan 0.000 0.545 15 P HA 0.141 nan 4.420 nan 0.000 0.276 15 P C -0.906 176.382 177.300 -0.019 0.000 1.244 15 P CA -0.624 62.473 63.100 -0.006 0.000 0.801 15 P CB 0.543 32.273 31.700 0.050 0.000 1.006 16 N N 0.444 119.136 118.700 -0.014 0.000 2.412 16 N HA 0.148 4.888 4.740 -0.000 0.000 0.254 16 N C 1.612 177.126 175.510 0.006 0.000 1.232 16 N CA 1.648 54.692 53.050 -0.010 0.000 0.880 16 N CB -0.396 38.087 38.487 -0.006 0.000 1.076 16 N HN 0.816 nan 8.380 nan 0.000 0.458 17 G N -0.521 108.283 108.800 0.006 0.000 2.176 17 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.253 17 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.253 17 G C 0.321 175.239 174.900 0.030 0.000 0.979 17 G CA 0.296 45.406 45.100 0.017 0.000 0.641 17 G HN 0.937 nan 8.290 nan 0.000 0.530 18 A N 0.106 122.948 122.820 0.036 0.000 2.466 18 A HA 0.586 4.906 4.320 -0.000 0.000 0.238 18 A C 0.790 178.414 177.584 0.066 0.000 1.074 18 A CA 1.368 53.450 52.037 0.075 0.000 0.774 18 A CB 0.260 19.321 19.000 0.102 0.000 1.015 18 A HN 0.810 nan 8.150 nan 0.000 0.498 19 T N 1.674 116.280 114.554 0.087 0.000 2.771 19 T HA 0.487 4.837 4.350 -0.000 0.000 0.291 19 T C -0.381 174.383 174.700 0.106 0.000 0.954 19 T CA -0.124 62.019 62.100 0.072 0.000 1.045 19 T CB 0.578 69.481 68.868 0.058 0.000 0.917 19 T HN 0.452 nan 8.240 nan 0.000 0.484 20 V N 5.444 125.405 119.914 0.078 0.000 2.483 20 V HA 0.395 4.515 4.120 -0.000 0.000 0.297 20 V C -0.121 176.006 176.094 0.056 0.000 1.027 20 V CA -0.971 61.384 62.300 0.093 0.000 0.855 20 V CB 1.574 33.428 31.823 0.051 0.000 0.995 20 V HN 0.747 nan 8.190 nan 0.000 0.424 21 L N 5.036 126.299 121.223 0.067 0.000 2.331 21 L HA 0.614 4.954 4.340 -0.000 0.000 0.278 21 L C -0.544 176.348 176.870 0.037 0.000 1.106 21 L CA -0.542 54.323 54.840 0.041 0.000 0.824 21 L CB 1.312 43.402 42.059 0.053 0.000 1.142 21 L HN 0.363 nan 8.230 nan 0.000 0.443 22 V N 2.214 122.134 119.914 0.009 0.000 2.443 22 V HA 0.436 4.556 4.120 -0.000 0.000 0.293 22 V C 0.724 176.824 176.094 0.010 0.000 1.021 22 V CA -0.641 61.662 62.300 0.006 0.000 0.848 22 V CB 1.347 33.157 31.823 -0.021 0.000 0.998 22 V HN 0.914 nan 8.190 nan 0.000 0.424 23 G N 2.500 111.332 108.800 0.053 0.000 2.684 23 G HA2 0.590 4.550 3.960 -0.000 0.000 0.255 23 G HA3 0.590 4.550 3.960 -0.000 0.000 0.255 23 G C 0.317 175.267 174.900 0.083 0.000 1.219 23 G CA 0.406 45.562 45.100 0.094 0.000 0.901 23 G HN 1.740 nan 8.290 nan 0.000 0.548 24 G N -1.943 106.942 108.800 0.141 0.000 2.640 24 G HA2 0.348 4.308 3.960 -0.000 0.000 0.686 24 G HA3 0.348 4.308 3.960 -0.000 0.000 0.686 24 G C -1.135 173.893 174.900 0.212 0.000 1.229 24 G CA -0.366 44.823 45.100 0.149 0.000 0.796 24 G HN 1.297 nan 8.290 nan 0.000 0.654 25 F N 2.674 122.669 119.950 0.075 0.000 2.499 25 F HA 0.607 5.134 4.527 -0.000 0.000 0.333 25 F C 1.080 176.910 175.800 0.051 0.000 1.138 25 F CA 1.383 59.430 58.000 0.079 0.000 0.945 25 F CB 1.323 40.387 39.000 0.106 0.000 1.181 25 F HN 2.203 nan 8.300 nan 0.000 0.435 26 G N 5.077 113.765 108.800 -0.188 0.000 2.622 26 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.307 26 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.307 26 G C 0.418 175.352 174.900 0.057 0.000 1.226 26 G CA 0.381 45.449 45.100 -0.053 0.000 0.997 26 G HN 0.785 nan 8.290 nan 0.000 0.551 27 L N 0.339 121.630 121.223 0.114 0.000 2.700 27 L HA 0.319 4.659 4.340 -0.000 0.000 0.234 27 L C 1.142 178.108 176.870 0.159 0.000 1.156 27 L CA -0.252 54.685 54.840 0.162 0.000 0.946 27 L CB 0.389 42.568 42.059 0.201 0.000 1.216 27 L HN 0.503 nan 8.230 nan 0.000 0.493 28 C N 1.524 120.918 119.300 0.155 0.000 2.265 28 C HA 0.589 5.049 4.460 -0.000 0.000 0.332 28 C C 1.555 176.620 174.990 0.125 0.000 1.248 28 C CA 0.144 59.240 59.018 0.129 0.000 1.727 28 C CB -0.783 27.039 27.740 0.136 0.000 2.348 28 C HN 0.837 nan 8.230 nan 0.000 0.519 29 G N 6.051 114.910 108.800 0.099 0.000 2.246 29 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.273 29 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.273 29 G C -0.159 174.817 174.900 0.126 0.000 1.055 29 G CA 0.544 45.710 45.100 0.109 0.000 0.851 29 G HN 1.384 nan 8.290 nan 0.000 0.500 30 I N -1.946 118.697 120.570 0.122 0.000 2.440 30 I HA 0.643 4.812 4.170 -0.000 0.000 0.294 30 I C -1.862 174.312 176.117 0.096 0.000 0.995 30 I CA -3.154 58.198 61.300 0.087 0.000 1.306 30 I CB 1.697 39.721 38.000 0.041 0.000 1.407 30 I HN -0.073 nan 8.210 nan 0.000 0.501 31 P HA 0.087 nan 4.420 nan 0.000 0.238 31 P C 0.232 177.532 177.300 -0.000 0.000 1.794 31 P CA -0.134 63.010 63.100 0.072 0.000 1.088 31 P CB 0.142 31.875 31.700 0.056 0.000 1.923 32 E N 1.954 122.155 120.200 0.002 0.000 2.110 32 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 32 E C 1.021 177.540 176.600 -0.135 0.000 0.988 32 E CA 0.865 57.179 56.400 -0.142 0.000 0.804 32 E CB -0.535 29.089 29.700 -0.126 0.000 0.745 32 E HN 0.263 nan 8.360 nan 0.000 0.458 33 N N 1.008 119.645 118.700 -0.104 0.000 2.216 33 N HA -0.055 4.684 4.740 -0.000 0.000 0.183 33 N C 2.145 177.611 175.510 -0.073 0.000 1.017 33 N CA 1.029 54.012 53.050 -0.113 0.000 0.861 33 N CB -0.063 38.337 38.487 -0.145 0.000 0.986 33 N HN 0.265 nan 8.380 nan 0.000 0.428 34 L N 0.922 122.117 121.223 -0.048 0.000 2.109 34 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 34 L C 2.290 179.119 176.870 -0.069 0.000 1.086 34 L CA 0.691 55.501 54.840 -0.049 0.000 0.760 34 L CB -0.394 41.649 42.059 -0.026 0.000 0.910 34 L HN 0.048 nan 8.230 nan 0.000 0.437 35 I N 0.277 120.798 120.570 -0.082 0.000 2.163 35 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 35 I C 2.648 178.707 176.117 -0.097 0.000 1.085 35 I CA 1.595 62.834 61.300 -0.101 0.000 1.347 35 I CB -0.856 37.058 38.000 -0.143 0.000 1.044 35 I HN 0.286 nan 8.210 nan 0.000 0.408 36 G N 0.338 109.077 108.800 -0.102 0.000 2.442 36 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 36 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 36 G C 1.844 176.708 174.900 -0.061 0.000 1.141 36 G CA 0.832 45.886 45.100 -0.078 0.000 0.763 36 G HN 0.507 nan 8.290 nan 0.000 0.554 37 A N 0.295 123.077 122.820 -0.063 0.000 1.933 37 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 37 A C 2.321 179.867 177.584 -0.064 0.000 1.175 37 A CA 1.321 53.323 52.037 -0.058 0.000 0.628 37 A CB -0.352 18.611 19.000 -0.061 0.000 0.814 37 A HN 0.298 nan 8.150 nan 0.000 0.444 38 L N -0.333 120.845 121.223 -0.075 0.000 2.131 38 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 38 L C 2.388 179.222 176.870 -0.060 0.000 1.092 38 L CA 1.169 55.962 54.840 -0.078 0.000 0.759 38 L CB -0.540 41.469 42.059 -0.084 0.000 0.903 38 L HN 0.370 nan 8.230 nan 0.000 0.435 39 L N -1.134 120.057 121.223 -0.052 0.000 2.083 39 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 39 L C 2.463 179.314 176.870 -0.032 0.000 1.083 39 L CA 1.274 56.091 54.840 -0.039 0.000 0.752 39 L CB -0.502 41.537 42.059 -0.034 0.000 0.899 39 L HN 0.233 nan 8.230 nan 0.000 0.433 40 K N -0.330 120.050 120.400 -0.034 0.000 2.057 40 K HA -0.133 4.186 4.320 -0.000 0.000 0.206 40 K C 2.174 178.756 176.600 -0.029 0.000 1.050 40 K CA 1.884 58.155 56.287 -0.027 0.000 0.935 40 K CB -0.323 32.163 32.500 -0.024 0.000 0.715 40 K HN 0.432 nan 8.250 nan 0.000 0.439 41 T N -2.360 112.170 114.554 -0.040 0.000 2.867 41 T HA -0.004 4.346 4.350 -0.000 0.000 0.268 41 T C 1.617 176.293 174.700 -0.039 0.000 1.057 41 T CA 1.067 63.141 62.100 -0.043 0.000 1.136 41 T CB -0.274 68.556 68.868 -0.064 0.000 0.874 41 T HN 0.391 nan 8.240 nan 0.000 0.466 42 G N 0.610 109.386 108.800 -0.040 0.000 2.162 42 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 42 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 42 G C 0.258 175.137 174.900 -0.036 0.000 0.976 42 G CA 0.157 45.238 45.100 -0.032 0.000 0.655 42 G HN 1.009 nan 8.290 nan 0.000 0.533 43 V N 1.235 121.118 119.914 -0.051 0.000 2.720 43 V HA 0.481 4.601 4.120 -0.000 0.000 0.307 43 V C 0.783 176.852 176.094 -0.043 0.000 1.071 43 V CA 1.382 63.649 62.300 -0.056 0.000 1.199 43 V CB 0.704 32.472 31.823 -0.091 0.000 0.900 43 V HN 0.811 nan 8.190 nan 0.000 0.494 44 K N 3.888 124.270 120.400 -0.031 0.000 2.372 44 K HA 0.585 4.905 4.320 -0.000 0.000 0.251 44 K C -0.314 176.278 176.600 -0.013 0.000 1.055 44 K CA -0.702 55.573 56.287 -0.020 0.000 0.879 44 K CB 1.230 33.722 32.500 -0.014 0.000 1.384 44 K HN 0.379 nan 8.250 nan 0.000 0.465 45 E N 0.302 120.498 120.200 -0.006 0.000 2.586 45 E HA -0.188 4.162 4.350 -0.000 0.000 0.259 45 E C -0.510 176.092 176.600 0.003 0.000 1.107 45 E CA 0.684 57.085 56.400 0.001 0.000 0.754 45 E CB -1.818 27.884 29.700 0.003 0.000 1.335 45 E HN 0.492 nan 8.360 nan 0.000 0.411 46 L N 0.312 121.534 121.223 -0.001 0.000 2.439 46 L HA 0.167 4.507 4.340 -0.000 0.000 0.269 46 L C 1.037 177.913 176.870 0.010 0.000 1.179 46 L CA 0.325 55.166 54.840 0.001 0.000 0.828 46 L CB 0.586 42.639 42.059 -0.010 0.000 1.106 46 L HN -0.142 nan 8.230 nan 0.000 0.467 47 T N 2.299 116.863 114.554 0.015 0.000 2.753 47 T HA 0.489 4.839 4.350 -0.000 0.000 0.297 47 T C -0.002 174.705 174.700 0.012 0.000 0.981 47 T CA -0.451 61.658 62.100 0.015 0.000 0.956 47 T CB 1.046 69.925 68.868 0.019 0.000 0.936 47 T HN 0.643 nan 8.240 nan 0.000 0.463 48 A N 3.785 126.607 122.820 0.003 0.000 2.260 48 A HA 0.633 4.953 4.320 -0.000 0.000 0.314 48 A C -0.032 177.537 177.584 -0.025 0.000 1.257 48 A CA -0.593 51.438 52.037 -0.009 0.000 0.871 48 A CB 0.464 19.455 19.000 -0.015 0.000 1.166 48 A HN 0.665 nan 8.150 nan 0.000 0.522 49 V N 2.883 122.781 119.914 -0.028 0.000 2.334 49 V HA 0.577 4.696 4.120 -0.000 0.000 0.267 49 V C 0.373 176.408 176.094 -0.097 0.000 1.040 49 V CA 0.045 62.312 62.300 -0.055 0.000 0.866 49 V CB 0.625 32.433 31.823 -0.025 0.000 1.019 49 V HN 0.886 nan 8.190 nan 0.000 0.468 50 S N 3.513 119.116 115.700 -0.161 0.000 2.566 50 S HA 0.327 4.797 4.470 -0.000 0.000 0.273 50 S C 0.687 175.090 174.600 -0.327 0.000 1.157 50 S CA -0.641 57.433 58.200 -0.210 0.000 0.938 50 S CB 1.572 64.687 63.200 -0.142 0.000 1.087 50 S HN 0.723 nan 8.310 nan 0.000 0.474 51 N N 4.185 122.585 118.700 -0.500 0.000 2.061 51 N HA -0.057 4.683 4.740 -0.000 0.000 0.193 51 N C 0.181 175.487 175.510 -0.339 0.000 1.030 51 N CA 1.938 54.645 53.050 -0.572 0.000 0.856 51 N CB -0.086 37.973 38.487 -0.713 0.000 1.023 51 N HN 0.740 nan 8.380 nan 0.000 0.424 52 N N -2.375 116.154 118.700 -0.286 0.000 2.577 52 N HA 0.568 5.307 4.740 -0.000 0.000 0.285 52 N C -0.978 174.389 175.510 -0.240 0.000 1.309 52 N CA -0.339 52.561 53.050 -0.249 0.000 0.798 52 N CB 1.492 39.847 38.487 -0.219 0.000 1.463 52 N HN 0.057 nan 8.380 nan 0.000 0.518 53 A N 0.115 122.769 122.820 -0.277 0.000 2.507 53 A HA 0.593 4.913 4.320 -0.000 0.000 0.270 53 A C 1.108 178.626 177.584 -0.109 0.000 1.318 53 A CA 0.353 52.248 52.037 -0.236 0.000 0.924 53 A CB -1.341 17.387 19.000 -0.454 0.000 1.061 53 A HN 0.931 nan 8.150 nan 0.000 0.516 54 G N -0.536 108.216 108.800 -0.080 0.000 2.582 54 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.288 54 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.288 54 G C 0.448 175.359 174.900 0.019 0.000 1.247 54 G CA 1.180 46.275 45.100 -0.009 0.000 0.972 54 G HN 1.841 nan 8.290 nan 0.000 0.557 55 V N -3.463 116.495 119.914 0.073 0.000 3.164 55 V HA 0.793 4.913 4.120 -0.000 0.000 0.313 55 V C 1.183 177.329 176.094 0.086 0.000 1.188 55 V CA 0.724 63.069 62.300 0.075 0.000 1.058 55 V CB 1.301 33.177 31.823 0.087 0.000 1.110 55 V HN 0.658 nan 8.190 nan 0.000 0.453 56 D N 1.668 122.114 120.400 0.078 0.000 2.149 56 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 56 D C 1.466 177.817 176.300 0.086 0.000 1.001 56 D CA 2.605 56.651 54.000 0.077 0.000 0.849 56 D CB -0.200 40.637 40.800 0.062 0.000 0.939 56 D HN 0.911 nan 8.370 nan 0.000 0.449 57 N N -1.321 117.445 118.700 0.110 0.000 2.184 57 N HA 0.037 4.777 4.740 -0.000 0.000 0.206 57 N C -0.345 175.318 175.510 0.256 0.000 1.151 57 N CA -0.171 52.962 53.050 0.139 0.000 0.878 57 N CB 0.159 38.713 38.487 0.112 0.000 1.014 57 N HN 0.095 nan 8.380 nan 0.000 0.512 58 F N 0.389 120.346 119.950 0.012 0.000 2.631 58 F HA 0.684 5.210 4.527 -0.000 0.000 0.328 58 F C 1.302 177.108 175.800 0.010 0.000 1.067 58 F CA 0.384 58.391 58.000 0.012 0.000 0.969 58 F CB 1.341 40.350 39.000 0.016 0.000 1.332 58 F HN 0.235 nan 8.300 nan 0.000 0.490 59 G N 1.803 110.371 108.800 -0.386 0.000 2.574 59 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.282 59 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.282 59 G C 0.735 175.550 174.900 -0.142 0.000 1.257 59 G CA 0.375 45.333 45.100 -0.237 0.000 0.956 59 G HN 0.980 nan 8.290 nan 0.000 0.560 60 L N 1.853 123.025 121.223 -0.084 0.000 2.189 60 L HA 0.084 4.424 4.340 -0.000 0.000 0.214 60 L C 3.082 179.937 176.870 -0.024 0.000 1.097 60 L CA 3.145 57.951 54.840 -0.058 0.000 0.764 60 L CB -0.831 41.194 42.059 -0.057 0.000 0.900 60 L HN 1.010 nan 8.230 nan 0.000 0.436 61 G N -0.663 108.135 108.800 -0.005 0.000 2.475 61 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 61 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 61 G C 1.576 176.493 174.900 0.027 0.000 1.125 61 G CA 1.140 46.261 45.100 0.035 0.000 0.755 61 G HN 0.445 nan 8.290 nan 0.000 0.565 62 L N -0.380 120.842 121.223 -0.003 0.000 2.131 62 L HA 0.021 4.360 4.340 -0.000 0.000 0.210 62 L C 2.672 179.536 176.870 -0.009 0.000 1.092 62 L CA 0.547 55.383 54.840 -0.007 0.000 0.759 62 L CB -0.223 41.808 42.059 -0.047 0.000 0.903 62 L HN 0.208 nan 8.230 nan 0.000 0.435 63 L N -1.103 120.110 121.223 -0.016 0.000 2.446 63 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 63 L C 2.175 179.048 176.870 0.005 0.000 1.116 63 L CA 0.265 55.097 54.840 -0.014 0.000 0.844 63 L CB -0.083 41.961 42.059 -0.025 0.000 0.970 63 L HN 0.249 nan 8.230 nan 0.000 0.457 64 L N -1.118 120.119 121.223 0.023 0.000 2.127 64 L HA -0.090 4.250 4.340 -0.000 0.000 0.203 64 L C 2.657 179.543 176.870 0.027 0.000 1.080 64 L CA 0.561 55.423 54.840 0.038 0.000 0.768 64 L CB -0.463 41.641 42.059 0.076 0.000 0.924 64 L HN 0.246 nan 8.230 nan 0.000 0.444 65 Q N 0.305 120.122 119.800 0.027 0.000 2.135 65 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 65 Q C 2.290 178.297 176.000 0.012 0.000 0.981 65 Q CA 2.014 57.830 55.803 0.022 0.000 0.856 65 Q CB -0.425 28.328 28.738 0.026 0.000 0.902 65 Q HN 0.606 nan 8.270 nan 0.000 0.425 66 S N -0.290 115.414 115.700 0.006 0.000 2.593 66 S HA 0.076 4.546 4.470 -0.000 0.000 0.217 66 S C 0.390 174.990 174.600 -0.001 0.000 0.966 66 S CA -0.199 58.001 58.200 0.000 0.000 0.914 66 S CB 0.244 63.440 63.200 -0.006 0.000 0.776 66 S HN 0.103 nan 8.310 nan 0.000 0.523 67 K N 0.670 121.072 120.400 0.003 0.000 3.071 67 K HA -0.210 4.110 4.320 -0.000 0.000 0.265 67 K C 0.211 176.811 176.600 -0.001 0.000 1.060 67 K CA 0.841 57.129 56.287 0.002 0.000 0.767 67 K CB -2.260 30.240 32.500 0.000 0.000 1.241 67 K HN 0.701 nan 8.250 nan 0.000 0.486 68 Q N -0.554 119.244 119.800 -0.003 0.000 2.392 68 Q HA 0.219 4.559 4.340 -0.000 0.000 0.203 68 Q C 0.508 176.505 176.000 -0.006 0.000 0.917 68 Q CA 0.386 56.183 55.803 -0.010 0.000 0.939 68 Q CB 0.434 29.160 28.738 -0.019 0.000 1.063 68 Q HN 0.394 nan 8.270 nan 0.000 0.516 69 I N 0.867 121.440 120.570 0.004 0.000 2.362 69 I HA 0.118 4.288 4.170 -0.000 0.000 0.289 69 I C 0.834 176.962 176.117 0.017 0.000 0.994 69 I CA -0.296 61.011 61.300 0.011 0.000 1.158 69 I CB 1.613 39.625 38.000 0.021 0.000 1.315 69 I HN -0.043 nan 8.210 nan 0.000 0.451 70 K N 5.982 126.392 120.400 0.016 0.000 2.098 70 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 70 K C 0.787 177.405 176.600 0.029 0.000 1.051 70 K CA 0.857 57.155 56.287 0.019 0.000 0.957 70 K CB 0.487 32.996 32.500 0.015 0.000 0.738 70 K HN 0.549 nan 8.250 nan 0.000 0.447 71 R N 0.342 120.859 120.500 0.028 0.000 2.651 71 R HA 0.326 4.666 4.340 -0.000 0.000 0.278 71 R C -1.467 174.850 176.300 0.029 0.000 1.010 71 R CA -0.521 55.599 56.100 0.033 0.000 0.896 71 R CB 1.429 31.744 30.300 0.025 0.000 1.211 71 R HN 0.019 nan 8.270 nan 0.000 0.456 72 M N 4.781 124.404 119.600 0.038 0.000 2.436 72 M HA 0.469 4.949 4.480 -0.000 0.000 0.331 72 M C -0.649 175.642 176.300 -0.015 0.000 1.135 72 M CA -0.714 54.596 55.300 0.016 0.000 0.987 72 M CB 2.140 34.771 32.600 0.051 0.000 1.687 72 M HN 0.414 nan 8.290 nan 0.000 0.445 73 I N 1.785 122.329 120.570 -0.044 0.000 2.382 73 I HA 0.486 4.656 4.170 -0.000 0.000 0.285 73 I C -0.641 175.408 176.117 -0.114 0.000 1.007 73 I CA -0.185 61.076 61.300 -0.064 0.000 1.142 73 I CB 1.515 39.488 38.000 -0.046 0.000 1.289 73 I HN 0.639 nan 8.210 nan 0.000 0.453 74 S N 2.027 117.644 115.700 -0.138 0.000 2.565 74 S HA 0.254 4.723 4.470 -0.000 0.000 0.269 74 S C 0.376 174.870 174.600 -0.178 0.000 1.153 74 S CA -0.557 57.526 58.200 -0.195 0.000 0.835 74 S CB 2.072 65.135 63.200 -0.228 0.000 1.122 74 S HN 0.732 nan 8.310 nan 0.000 0.462 75 S N 0.174 115.768 115.700 -0.176 0.000 2.497 75 S HA 0.273 4.743 4.470 -0.000 0.000 0.221 75 S C -0.083 174.501 174.600 -0.027 0.000 1.037 75 S CA 0.061 58.199 58.200 -0.103 0.000 0.920 75 S CB 0.015 63.178 63.200 -0.062 0.000 0.800 75 S HN 0.758 nan 8.310 nan 0.000 0.505 76 Y N 1.049 121.220 120.300 -0.214 0.000 2.358 76 Y HA 0.497 5.047 4.550 -0.000 0.000 0.324 76 Y C -0.445 175.279 175.900 -0.293 0.000 1.123 76 Y CA -0.896 57.089 58.100 -0.191 0.000 1.067 76 Y CB 2.044 40.411 38.460 -0.154 0.000 1.230 76 Y HN 0.082 nan 8.280 nan 0.000 0.429 77 V N 2.550 121.955 119.914 -0.847 0.000 3.199 77 V HA 0.606 4.726 4.120 -0.000 0.000 0.331 77 V C 0.736 176.373 176.094 -0.763 0.000 1.446 77 V CA 0.272 62.044 62.300 -0.880 0.000 1.120 77 V CB 0.050 31.085 31.823 -1.314 0.000 1.051 77 V HN 0.911 nan 8.190 nan 0.000 0.495 78 G N 0.315 108.516 108.800 -1.000 0.000 2.667 78 G HA2 0.457 4.417 3.960 -0.000 0.000 0.250 78 G HA3 0.457 4.417 3.960 -0.000 0.000 0.250 78 G C 0.301 175.113 174.900 -0.146 0.000 1.212 78 G CA 0.336 45.139 45.100 -0.494 0.000 0.874 78 G HN 0.602 nan 8.290 nan 0.000 0.561 79 E N -1.540 118.651 120.200 -0.015 0.000 2.868 79 E HA -0.181 4.169 4.350 -0.000 0.000 0.278 79 E C -0.041 176.576 176.600 0.028 0.000 1.009 79 E CA 1.148 57.570 56.400 0.037 0.000 0.856 79 E CB -1.321 28.424 29.700 0.075 0.000 1.428 79 E HN 0.467 nan 8.360 nan 0.000 0.423 80 N N -1.023 117.697 118.700 0.033 0.000 2.621 80 N HA 0.495 5.235 4.740 -0.000 0.000 0.271 80 N C 0.360 175.953 175.510 0.138 0.000 1.181 80 N CA 0.461 53.557 53.050 0.078 0.000 0.805 80 N CB 0.810 39.337 38.487 0.067 0.000 1.351 80 N HN 0.048 nan 8.380 nan 0.000 0.539 81 A N 2.149 125.026 122.820 0.095 0.000 1.969 81 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 81 A C 1.777 179.408 177.584 0.079 0.000 1.169 81 A CA 1.527 53.613 52.037 0.082 0.000 0.635 81 A CB -0.209 18.821 19.000 0.049 0.000 0.810 81 A HN 0.653 nan 8.150 nan 0.000 0.445 82 E N -0.524 119.726 120.200 0.085 0.000 2.106 82 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 82 E C 1.580 178.219 176.600 0.065 0.000 0.984 82 E CA 1.358 57.795 56.400 0.062 0.000 0.806 82 E CB -0.522 29.215 29.700 0.061 0.000 0.750 82 E HN 0.568 nan 8.360 nan 0.000 0.458 83 F N 1.479 121.436 119.950 0.011 0.000 2.069 83 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 83 F C 2.194 178.026 175.800 0.054 0.000 1.113 83 F CA 2.302 60.310 58.000 0.014 0.000 1.214 83 F CB -0.428 38.558 39.000 -0.023 0.000 0.978 83 F HN 0.124 nan 8.300 nan 0.000 0.474 84 E N 0.195 120.426 120.200 0.053 0.000 2.077 84 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 84 E C 2.515 179.051 176.600 -0.107 0.000 0.989 84 E CA 1.192 57.584 56.400 -0.013 0.000 0.800 84 E CB -0.277 29.516 29.700 0.155 0.000 0.746 84 E HN 0.462 nan 8.360 nan 0.000 0.452 85 R N 0.367 120.822 120.500 -0.074 0.000 2.083 85 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 85 R C 2.348 178.579 176.300 -0.115 0.000 1.137 85 R CA 2.044 58.095 56.100 -0.082 0.000 0.951 85 R CB -0.105 30.167 30.300 -0.047 0.000 0.851 85 R HN 0.254 nan 8.270 nan 0.000 0.434 86 Q N -0.951 118.768 119.800 -0.136 0.000 2.084 86 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 86 Q C 1.943 177.878 176.000 -0.108 0.000 0.978 86 Q CA 1.780 57.512 55.803 -0.117 0.000 0.844 86 Q CB -0.278 28.393 28.738 -0.111 0.000 0.898 86 Q HN 0.423 nan 8.270 nan 0.000 0.426 87 Y N 1.283 121.349 120.300 -0.390 0.000 2.114 87 Y HA -0.181 4.369 4.550 -0.000 0.000 0.284 87 Y C 1.800 177.650 175.900 -0.083 0.000 1.143 87 Y CA 1.351 59.279 58.100 -0.287 0.000 1.135 87 Y CB -0.342 37.797 38.460 -0.536 0.000 0.980 87 Y HN -0.008 nan 8.280 nan 0.000 0.499 88 L N -0.280 120.760 121.223 -0.305 0.000 2.201 88 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 88 L C 2.538 179.169 176.870 -0.399 0.000 1.105 88 L CA 0.981 55.506 54.840 -0.526 0.000 0.775 88 L CB -0.803 41.029 42.059 -0.378 0.000 0.913 88 L HN 0.328 nan 8.230 nan 0.000 0.440 89 A N -0.431 122.261 122.820 -0.213 0.000 2.167 89 A HA 0.221 4.540 4.320 -0.000 0.000 0.214 89 A C 1.765 179.304 177.584 -0.076 0.000 1.151 89 A CA 0.875 52.829 52.037 -0.138 0.000 0.735 89 A CB -0.365 18.578 19.000 -0.096 0.000 0.802 89 A HN 0.518 nan 8.150 nan 0.000 0.467 90 G N -0.884 107.893 108.800 -0.037 0.000 2.132 90 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.234 90 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.234 90 G C 0.423 175.331 174.900 0.012 0.000 0.989 90 G CA 0.568 45.684 45.100 0.025 0.000 0.676 90 G HN 0.577 nan 8.290 nan 0.000 0.522 91 E N -1.337 118.861 120.200 -0.003 0.000 2.340 91 E HA 0.333 4.682 4.350 -0.000 0.000 0.194 91 E C 0.721 177.329 176.600 0.012 0.000 0.996 91 E CA 0.356 56.755 56.400 -0.002 0.000 0.869 91 E CB 0.574 30.263 29.700 -0.018 0.000 0.835 91 E HN 0.437 nan 8.360 nan 0.000 0.493 92 L N 1.280 122.522 121.223 0.032 0.000 2.386 92 L HA 0.311 4.651 4.340 -0.000 0.000 0.271 92 L C -1.242 175.701 176.870 0.121 0.000 0.993 92 L CA -0.613 54.256 54.840 0.049 0.000 0.819 92 L CB 1.914 43.972 42.059 -0.002 0.000 1.294 92 L HN -0.210 nan 8.230 nan 0.000 0.414 93 E N 3.627 123.885 120.200 0.097 0.000 2.249 93 E HA 0.602 4.952 4.350 -0.000 0.000 0.280 93 E C -1.283 175.377 176.600 0.099 0.000 1.016 93 E CA -0.675 55.792 56.400 0.113 0.000 0.830 93 E CB 2.043 31.780 29.700 0.061 0.000 1.081 93 E HN 0.403 nan 8.360 nan 0.000 0.395 94 V N 2.745 122.721 119.914 0.103 0.000 2.569 94 V HA 0.150 4.270 4.120 -0.000 0.000 0.301 94 V C -0.676 175.417 176.094 -0.002 0.000 1.044 94 V CA -0.870 61.427 62.300 -0.005 0.000 0.874 94 V CB 1.761 33.442 31.823 -0.236 0.000 1.002 94 V HN 0.665 nan 8.190 nan 0.000 0.424 95 E N 4.942 125.135 120.200 -0.013 0.000 2.014 95 E HA 0.422 4.772 4.350 -0.000 0.000 0.275 95 E C -0.860 175.708 176.600 -0.052 0.000 0.997 95 E CA -0.392 55.997 56.400 -0.017 0.000 0.804 95 E CB 1.350 31.039 29.700 -0.018 0.000 1.090 95 E HN 0.535 nan 8.360 nan 0.000 0.401 96 L N 3.244 124.439 121.223 -0.046 0.000 2.418 96 L HA 0.168 4.508 4.340 -0.000 0.000 0.274 96 L C 0.105 176.885 176.870 -0.150 0.000 1.135 96 L CA 0.298 55.083 54.840 -0.093 0.000 0.870 96 L CB 0.359 42.405 42.059 -0.023 0.000 1.154 96 L HN 0.408 nan 8.230 nan 0.000 0.462 97 T N 4.176 118.637 114.554 -0.155 0.000 2.841 97 T HA 0.356 4.705 4.350 -0.000 0.000 0.285 97 T C -2.519 172.085 174.700 -0.159 0.000 0.991 97 T CA -1.495 60.520 62.100 -0.142 0.000 0.966 97 T CB 1.991 70.801 68.868 -0.097 0.000 0.962 97 T HN 0.221 nan 8.240 nan 0.000 0.438 98 P HA 0.064 nan 4.420 nan 0.000 0.264 98 P C 0.768 177.959 177.300 -0.182 0.000 1.183 98 P CA 0.102 63.099 63.100 -0.171 0.000 0.763 98 P CB 0.626 32.241 31.700 -0.141 0.000 0.807 99 Q N 2.839 122.506 119.800 -0.221 0.000 2.096 99 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 99 Q C 2.061 177.700 176.000 -0.603 0.000 0.982 99 Q CA 2.215 57.869 55.803 -0.248 0.000 0.850 99 Q CB -0.714 27.965 28.738 -0.098 0.000 0.901 99 Q HN 0.694 nan 8.270 nan 0.000 0.422 100 G N -0.942 107.138 108.800 -1.199 0.000 2.421 100 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 100 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 100 G C 1.306 176.055 174.900 -0.252 0.000 1.143 100 G CA 1.114 45.587 45.100 -1.044 0.000 0.784 100 G HN 0.330 nan 8.290 nan 0.000 0.541 101 T N 0.998 115.475 114.554 -0.127 0.000 2.857 101 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 101 T C 2.233 176.985 174.700 0.087 0.000 1.048 101 T CA 0.967 63.105 62.100 0.062 0.000 1.139 101 T CB -0.161 68.728 68.868 0.036 0.000 0.874 101 T HN 0.128 nan 8.240 nan 0.000 0.455 102 L N 1.581 122.821 121.223 0.030 0.000 2.012 102 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 102 L C 2.606 179.607 176.870 0.217 0.000 1.073 102 L CA 1.991 56.892 54.840 0.102 0.000 0.748 102 L CB -1.037 41.055 42.059 0.054 0.000 0.891 102 L HN 0.220 nan 8.230 nan 0.000 0.431 103 A N -0.969 121.984 122.820 0.222 0.000 1.877 103 A HA -0.247 4.072 4.320 -0.000 0.000 0.216 103 A C 2.277 179.863 177.584 0.003 0.000 1.186 103 A CA 1.816 53.906 52.037 0.088 0.000 0.620 103 A CB -0.721 18.192 19.000 -0.145 0.000 0.822 103 A HN 0.524 nan 8.150 nan 0.000 0.443 104 E N -0.080 120.105 120.200 -0.024 0.000 2.107 104 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 104 E C 2.166 178.712 176.600 -0.091 0.000 0.982 104 E CA 1.140 57.438 56.400 -0.171 0.000 0.809 104 E CB -0.207 29.284 29.700 -0.348 0.000 0.756 104 E HN 0.582 nan 8.360 nan 0.000 0.459 105 R N -0.177 120.436 120.500 0.189 0.000 2.081 105 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 105 R C 2.439 178.814 176.300 0.124 0.000 1.131 105 R CA 1.594 57.859 56.100 0.275 0.000 0.960 105 R CB -0.397 30.032 30.300 0.216 0.000 0.856 105 R HN 0.271 nan 8.270 nan 0.000 0.436 106 I N 0.186 120.810 120.570 0.090 0.000 2.202 106 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 106 I C 2.787 178.909 176.117 0.009 0.000 1.091 106 I CA 1.105 62.441 61.300 0.061 0.000 1.368 106 I CB -0.301 37.757 38.000 0.096 0.000 1.058 106 I HN 0.152 nan 8.210 nan 0.000 0.410 107 R N 1.345 121.827 120.500 -0.031 0.000 2.096 107 R HA -0.241 4.099 4.340 -0.000 0.000 0.240 107 R C 2.371 178.636 176.300 -0.058 0.000 1.139 107 R CA 1.910 57.964 56.100 -0.076 0.000 0.952 107 R CB -0.346 29.878 30.300 -0.127 0.000 0.854 107 R HN 0.375 nan 8.270 nan 0.000 0.436 108 A N 0.192 122.981 122.820 -0.050 0.000 1.908 108 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 108 A C 2.343 179.945 177.584 0.031 0.000 1.181 108 A CA 1.842 53.878 52.037 -0.001 0.000 0.627 108 A CB -1.223 17.835 19.000 0.098 0.000 0.818 108 A HN 0.613 nan 8.150 nan 0.000 0.445 109 G N -1.126 107.697 108.800 0.038 0.000 2.471 109 G HA2 0.110 4.070 3.960 -0.000 0.000 0.219 109 G HA3 0.110 4.070 3.960 -0.000 0.000 0.219 109 G C 1.272 176.189 174.900 0.028 0.000 1.125 109 G CA 1.137 46.260 45.100 0.037 0.000 0.775 109 G HN 0.747 nan 8.290 nan 0.000 0.548 110 G N -0.272 108.534 108.800 0.009 0.000 2.838 110 G HA2 0.346 4.306 3.960 -0.000 0.000 0.210 110 G HA3 0.346 4.306 3.960 -0.000 0.000 0.210 110 G C 1.235 176.159 174.900 0.041 0.000 1.153 110 G CA 0.984 46.092 45.100 0.014 0.000 0.778 110 G HN 0.558 nan 8.290 nan 0.000 0.539 111 A N -0.517 122.318 122.820 0.025 0.000 2.470 111 A HA 0.539 4.859 4.320 -0.000 0.000 0.251 111 A C 1.702 179.304 177.584 0.031 0.000 1.245 111 A CA 0.952 53.007 52.037 0.028 0.000 0.932 111 A CB -0.143 18.855 19.000 -0.004 0.000 1.037 111 A HN 1.371 nan 8.150 nan 0.000 0.522 112 G N -0.962 107.860 108.800 0.036 0.000 2.143 112 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.248 112 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.248 112 G C 0.052 174.972 174.900 0.033 0.000 0.991 112 G CA 0.301 45.422 45.100 0.034 0.000 0.689 112 G HN 0.885 nan 8.290 nan 0.000 0.522 113 V N 1.796 121.733 119.914 0.038 0.000 2.328 113 V HA 0.378 4.498 4.120 -0.000 0.000 0.278 113 V C -0.255 175.883 176.094 0.073 0.000 1.021 113 V CA -0.684 61.647 62.300 0.053 0.000 0.838 113 V CB 1.728 33.581 31.823 0.050 0.000 0.999 113 V HN 0.164 nan 8.190 nan 0.000 0.447 114 P HA 0.175 nan 4.420 nan 0.000 0.227 114 P C 0.181 177.502 177.300 0.035 0.000 1.161 114 P CA 0.685 63.810 63.100 0.042 0.000 0.788 114 P CB 0.831 32.544 31.700 0.022 0.000 0.822 115 A N -0.646 122.203 122.820 0.048 0.000 2.599 115 A HA 0.635 4.955 4.320 -0.000 0.000 0.294 115 A C -1.472 176.124 177.584 0.021 0.000 1.055 115 A CA -0.660 51.345 52.037 -0.054 0.000 0.683 115 A CB 0.486 19.388 19.000 -0.163 0.000 1.278 115 A HN 0.096 nan 8.150 nan 0.000 0.412 116 F N -1.384 118.463 119.950 -0.171 0.000 2.711 116 F HA 0.854 5.381 4.527 -0.000 0.000 0.313 116 F C -1.595 174.056 175.800 -0.248 0.000 1.141 116 F CA -1.369 56.539 58.000 -0.153 0.000 0.941 116 F CB 0.833 39.791 39.000 -0.069 0.000 1.349 116 F HN 0.506 nan 8.300 nan 0.000 0.464 117 Y N 0.062 120.401 120.300 0.065 0.000 2.420 117 Y HA 0.642 5.192 4.550 -0.000 0.000 0.334 117 Y C 0.296 176.324 175.900 0.214 0.000 1.094 117 Y CA -0.547 57.572 58.100 0.032 0.000 1.126 117 Y CB 2.166 40.589 38.460 -0.062 0.000 1.217 117 Y HN 0.878 nan 8.280 nan 0.000 0.462 118 T N -0.056 114.768 114.554 0.451 0.000 2.923 118 T HA 0.163 4.513 4.350 -0.000 0.000 0.311 118 T C 0.520 175.521 174.700 0.501 0.000 1.183 118 T CA -0.426 61.967 62.100 0.488 0.000 1.020 118 T CB 1.577 70.678 68.868 0.388 0.000 1.165 118 T HN 0.629 nan 8.240 nan 0.000 0.482 119 S N 2.054 118.004 115.700 0.415 0.000 2.423 119 S HA 0.048 4.518 4.470 -0.000 0.000 0.231 119 S C 0.936 175.614 174.600 0.129 0.000 1.014 119 S CA 0.949 59.191 58.200 0.071 0.000 0.965 119 S CB -0.352 62.792 63.200 -0.094 0.000 0.785 119 S HN 0.844 nan 8.310 nan 0.000 0.495 120 T N 1.719 116.368 114.554 0.159 0.000 2.867 120 T HA 0.423 4.773 4.350 -0.000 0.000 0.297 120 T C 1.172 175.929 174.700 0.095 0.000 0.989 120 T CA 0.766 62.935 62.100 0.115 0.000 1.159 120 T CB 0.481 69.410 68.868 0.102 0.000 0.928 120 T HN 0.655 nan 8.240 nan 0.000 0.538 121 G N 2.796 111.637 108.800 0.070 0.000 2.195 121 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 121 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 121 G C 0.061 175.003 174.900 0.069 0.000 0.984 121 G CA -0.111 45.010 45.100 0.034 0.000 0.633 121 G HN 0.807 nan 8.290 nan 0.000 0.525 122 Y N 1.403 121.710 120.300 0.013 0.000 2.712 122 Y HA 0.329 4.879 4.550 -0.000 0.000 0.333 122 Y C 1.577 177.478 175.900 0.001 0.000 1.225 122 Y CA 1.608 59.713 58.100 0.008 0.000 1.499 122 Y CB 0.651 39.108 38.460 -0.006 0.000 1.288 122 Y HN 1.442 nan 8.280 nan 0.000 0.575 123 G N 3.101 111.455 108.800 -0.743 0.000 2.159 123 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.256 123 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.256 123 G C 0.167 174.961 174.900 -0.177 0.000 0.977 123 G CA 0.551 45.360 45.100 -0.485 0.000 0.652 123 G HN 1.175 nan 8.290 nan 0.000 0.531 124 T N -2.800 111.691 114.554 -0.105 0.000 2.905 124 T HA 0.706 5.056 4.350 -0.000 0.000 0.283 124 T C 1.539 176.254 174.700 0.026 0.000 1.031 124 T CA -0.210 61.900 62.100 0.017 0.000 1.002 124 T CB 1.360 70.262 68.868 0.056 0.000 1.200 124 T HN 0.238 nan 8.240 nan 0.000 0.560 125 L N 0.810 122.109 121.223 0.127 0.000 2.261 125 L HA -0.069 4.271 4.340 -0.000 0.000 0.216 125 L C 2.699 179.604 176.870 0.058 0.000 1.114 125 L CA 0.622 55.536 54.840 0.124 0.000 0.777 125 L CB -0.667 41.551 42.059 0.264 0.000 0.910 125 L HN 0.567 nan 8.230 nan 0.000 0.440 126 V N -0.429 119.489 119.914 0.006 0.000 2.261 126 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 126 V C 2.468 178.555 176.094 -0.012 0.000 1.047 126 V CA 2.036 64.316 62.300 -0.032 0.000 1.015 126 V CB -0.555 31.220 31.823 -0.080 0.000 0.642 126 V HN 0.551 nan 8.190 nan 0.000 0.446 127 Q N -0.110 119.682 119.800 -0.014 0.000 2.083 127 Q HA -0.180 4.160 4.340 -0.000 0.000 0.198 127 Q C 2.138 178.128 176.000 -0.017 0.000 0.969 127 Q CA 1.493 57.293 55.803 -0.005 0.000 0.838 127 Q CB -0.065 28.653 28.738 -0.032 0.000 0.900 127 Q HN 0.676 nan 8.270 nan 0.000 0.436 128 E N 0.088 120.265 120.200 -0.038 0.000 2.274 128 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 128 E C 0.877 177.474 176.600 -0.005 0.000 0.996 128 E CA 0.722 57.103 56.400 -0.031 0.000 0.840 128 E CB 0.095 29.772 29.700 -0.039 0.000 0.772 128 E HN 0.497 nan 8.360 nan 0.000 0.491 129 G N -0.446 108.358 108.800 0.007 0.000 2.795 129 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.664 129 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.664 129 G C 0.593 175.508 174.900 0.025 0.000 1.381 129 G CA -0.204 44.904 45.100 0.014 0.000 0.853 129 G HN 0.612 nan 8.290 nan 0.000 0.545 130 G N -1.787 107.027 108.800 0.023 0.000 2.157 130 G HA2 0.079 4.038 3.960 -0.000 0.000 0.248 130 G HA3 0.079 4.038 3.960 -0.000 0.000 0.248 130 G C 0.801 175.731 174.900 0.050 0.000 0.979 130 G CA 1.462 46.577 45.100 0.024 0.000 0.650 130 G HN 2.262 nan 8.290 nan 0.000 0.529 131 S N 2.326 118.075 115.700 0.082 0.000 2.533 131 S HA 0.501 4.970 4.470 -0.000 0.000 0.282 131 S C -1.665 172.990 174.600 0.091 0.000 1.304 131 S CA -0.576 57.713 58.200 0.149 0.000 1.063 131 S CB 0.855 64.159 63.200 0.173 0.000 0.881 131 S HN 0.309 nan 8.310 nan 0.000 0.493 132 P HA 0.160 nan 4.420 nan 0.000 0.271 132 P C 0.212 177.556 177.300 0.074 0.000 1.233 132 P CA 0.056 63.121 63.100 -0.059 0.000 0.764 132 P CB 0.503 32.083 31.700 -0.199 0.000 0.825 133 I N 2.113 122.680 120.570 -0.004 0.000 3.039 133 I HA 0.138 4.308 4.170 -0.000 0.000 0.270 133 I C 1.252 177.428 176.117 0.099 0.000 1.150 133 I CA 0.784 62.136 61.300 0.088 0.000 1.448 133 I CB 0.206 38.226 38.000 0.033 0.000 1.197 133 I HN 0.298 nan 8.210 nan 0.000 0.450 134 K N 0.201 120.547 120.400 -0.090 0.000 2.501 134 K HA 0.374 4.694 4.320 -0.000 0.000 0.252 134 K C -1.731 174.692 176.600 -0.294 0.000 0.934 134 K CA -0.588 55.644 56.287 -0.091 0.000 0.797 134 K CB 1.999 34.488 32.500 -0.018 0.000 1.270 134 K HN -0.228 nan 8.250 nan 0.000 0.431 135 Y N 1.307 121.537 120.300 -0.117 0.000 2.335 135 Y HA 0.249 4.799 4.550 -0.000 0.000 0.323 135 Y C 0.990 176.839 175.900 -0.085 0.000 1.224 135 Y CA -0.358 57.664 58.100 -0.131 0.000 1.241 135 Y CB 0.865 39.197 38.460 -0.213 0.000 1.235 135 Y HN 0.519 nan 8.280 nan 0.000 0.492 136 N N 1.258 120.014 118.700 0.093 0.000 2.424 136 N HA 0.029 4.769 4.740 -0.000 0.000 0.257 136 N C 1.085 176.616 175.510 0.034 0.000 1.250 136 N CA -0.212 52.865 53.050 0.044 0.000 0.946 136 N CB 0.695 39.197 38.487 0.025 0.000 1.175 136 N HN 0.645 nan 8.380 nan 0.000 0.477 137 K N 0.400 120.803 120.400 0.005 0.000 2.152 137 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 137 K C 0.485 177.067 176.600 -0.029 0.000 1.048 137 K CA 1.487 57.764 56.287 -0.017 0.000 0.933 137 K CB 0.018 32.507 32.500 -0.018 0.000 0.721 137 K HN 0.553 nan 8.250 nan 0.000 0.447 138 D N -1.508 118.881 120.400 -0.017 0.000 2.349 138 D HA 0.006 4.646 4.640 -0.000 0.000 0.224 138 D C 1.050 177.331 176.300 -0.032 0.000 1.029 138 D CA 0.891 54.876 54.000 -0.025 0.000 0.879 138 D CB 0.214 41.004 40.800 -0.015 0.000 0.906 138 D HN 0.367 nan 8.370 nan 0.000 0.528 139 G N -0.055 108.729 108.800 -0.026 0.000 2.195 139 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.246 139 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.246 139 G C 0.480 175.435 174.900 0.092 0.000 0.984 139 G CA 0.417 45.487 45.100 -0.048 0.000 0.633 139 G HN 0.804 nan 8.290 nan 0.000 0.525 140 S N 0.275 116.025 115.700 0.083 0.000 2.634 140 S HA 0.728 5.198 4.470 -0.000 0.000 0.261 140 S C 0.502 175.165 174.600 0.105 0.000 1.271 140 S CA -0.730 57.519 58.200 0.082 0.000 0.985 140 S CB 1.331 64.549 63.200 0.030 0.000 0.968 140 S HN 0.452 nan 8.310 nan 0.000 0.568 141 I N 1.481 122.061 120.570 0.015 0.000 2.342 141 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 141 I C 1.138 177.210 176.117 -0.075 0.000 1.010 141 I CA -0.404 60.837 61.300 -0.099 0.000 1.308 141 I CB 0.628 38.556 38.000 -0.121 0.000 1.400 141 I HN 0.947 nan 8.210 nan 0.000 0.488 142 A N 7.457 130.217 122.820 -0.099 0.000 1.901 142 A HA 0.343 4.662 4.320 -0.000 0.000 0.210 142 A C 0.848 178.395 177.584 -0.061 0.000 1.208 142 A CA 0.790 52.792 52.037 -0.059 0.000 0.644 142 A CB 0.255 19.232 19.000 -0.039 0.000 0.863 142 A HN 0.618 nan 8.150 nan 0.000 0.454 143 I N -0.573 119.944 120.570 -0.088 0.000 2.534 143 I HA 0.584 4.754 4.170 -0.000 0.000 0.288 143 I C -0.358 175.712 176.117 -0.079 0.000 1.077 143 I CA -0.599 60.665 61.300 -0.061 0.000 1.051 143 I CB 2.139 40.118 38.000 -0.035 0.000 1.234 143 I HN 0.210 nan 8.210 nan 0.000 0.425 144 A N 3.857 126.646 122.820 -0.052 0.000 2.384 144 A HA 0.809 5.128 4.320 -0.000 0.000 0.312 144 A C -0.041 177.536 177.584 -0.012 0.000 1.113 144 A CA -0.574 51.441 52.037 -0.037 0.000 0.779 144 A CB 1.588 20.567 19.000 -0.036 0.000 1.307 144 A HN 0.751 nan 8.150 nan 0.000 0.436 145 S N 1.313 117.016 115.700 0.005 0.000 2.584 145 S HA 0.381 4.850 4.470 -0.000 0.000 0.270 145 S C -0.124 174.478 174.600 0.003 0.000 1.346 145 S CA -0.345 57.860 58.200 0.008 0.000 1.018 145 S CB 0.367 63.578 63.200 0.019 0.000 0.899 145 S HN 0.545 nan 8.310 nan 0.000 0.542 146 K N 1.547 121.947 120.400 -0.001 0.000 2.098 146 K HA 0.502 4.821 4.320 -0.000 0.000 0.261 146 K C -2.661 173.939 176.600 -0.000 0.000 0.987 146 K CA -2.376 53.910 56.287 -0.001 0.000 0.916 146 K CB 0.184 32.681 32.500 -0.004 0.000 1.039 146 K HN 0.453 nan 8.250 nan 0.000 0.455 147 P HA 0.122 nan 4.420 nan 0.000 0.269 147 P C -0.377 176.928 177.300 0.008 0.000 1.215 147 P CA -0.120 62.984 63.100 0.007 0.000 0.780 147 P CB 0.526 32.232 31.700 0.011 0.000 0.898 148 R N 1.940 122.449 120.500 0.016 0.000 2.368 148 R HA 0.283 4.623 4.340 -0.000 0.000 0.302 148 R C 0.232 176.569 176.300 0.063 0.000 1.002 148 R CA -0.583 55.529 56.100 0.019 0.000 0.929 148 R CB 0.500 30.808 30.300 0.013 0.000 1.073 148 R HN 0.545 nan 8.270 nan 0.000 0.464 149 E N 1.242 121.481 120.200 0.066 0.000 2.384 149 E HA 0.115 4.465 4.350 -0.000 0.000 0.266 149 E C -0.341 176.390 176.600 0.219 0.000 1.012 149 E CA -0.100 56.372 56.400 0.120 0.000 0.901 149 E CB 1.012 30.778 29.700 0.110 0.000 0.967 149 E HN 0.123 nan 8.360 nan 0.000 0.435 150 V N 3.745 123.800 119.914 0.236 0.000 2.483 150 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 150 V C 0.035 176.277 176.094 0.246 0.000 1.035 150 V CA -0.534 61.948 62.300 0.303 0.000 0.896 150 V CB 1.503 33.521 31.823 0.325 0.000 0.986 150 V HN 0.609 nan 8.190 nan 0.000 0.447 151 R N 2.602 123.234 120.500 0.219 0.000 2.651 151 R HA 0.451 4.791 4.340 -0.000 0.000 0.278 151 R C -0.885 175.330 176.300 -0.141 0.000 1.010 151 R CA -0.611 55.450 56.100 -0.065 0.000 0.896 151 R CB 2.056 32.178 30.300 -0.297 0.000 1.211 151 R HN 0.853 nan 8.270 nan 0.000 0.456 152 E N 3.731 123.736 120.200 -0.326 0.000 2.227 152 E HA 0.282 4.632 4.350 -0.000 0.000 0.282 152 E C -1.481 174.827 176.600 -0.487 0.000 1.015 152 E CA -0.375 55.821 56.400 -0.339 0.000 0.823 152 E CB 0.707 30.151 29.700 -0.426 0.000 1.081 152 E HN 0.356 nan 8.360 nan 0.000 0.396 153 F N 3.128 123.080 119.950 0.004 0.000 2.547 153 F HA 0.291 4.818 4.527 -0.000 0.000 0.316 153 F C 0.201 176.020 175.800 0.032 0.000 1.121 153 F CA -0.995 56.970 58.000 -0.060 0.000 0.911 153 F CB 1.699 40.544 39.000 -0.259 0.000 1.179 153 F HN 0.518 nan 8.300 nan 0.000 0.443 154 N N 1.857 120.638 118.700 0.135 0.000 2.735 154 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 154 N C 0.974 176.517 175.510 0.054 0.000 1.083 154 N CA 1.221 54.325 53.050 0.091 0.000 0.703 154 N CB -1.237 37.319 38.487 0.116 0.000 1.005 154 N HN 1.220 nan 8.380 nan 0.000 0.550 155 G N -0.580 108.214 108.800 -0.010 0.000 2.148 155 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.254 155 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.254 155 G C -0.228 174.600 174.900 -0.120 0.000 0.981 155 G CA 0.917 45.976 45.100 -0.067 0.000 0.670 155 G HN 0.773 nan 8.290 nan 0.000 0.528 156 Q N -0.247 119.488 119.800 -0.109 0.000 2.397 156 Q HA 0.542 4.882 4.340 -0.000 0.000 0.275 156 Q C -0.826 174.941 176.000 -0.388 0.000 1.090 156 Q CA -0.963 54.704 55.803 -0.227 0.000 0.809 156 Q CB 1.314 29.951 28.738 -0.170 0.000 1.362 156 Q HN 0.440 nan 8.270 nan 0.000 0.431 157 H N 2.789 121.545 119.070 -0.523 0.000 2.527 157 H HA 0.361 4.917 4.556 -0.000 0.000 0.321 157 H C -0.967 173.939 175.328 -0.704 0.000 1.087 157 H CA 0.218 55.918 56.048 -0.580 0.000 1.337 157 H CB 0.505 29.610 29.762 -1.094 0.000 1.440 157 H HN 0.430 nan 8.280 nan 0.000 0.490 158 F N 1.822 121.789 119.950 0.028 0.000 2.611 158 F HA 0.421 4.948 4.527 -0.000 0.000 0.324 158 F C 0.429 176.424 175.800 0.325 0.000 1.061 158 F CA -1.109 57.002 58.000 0.186 0.000 0.954 158 F CB 1.664 40.818 39.000 0.257 0.000 1.301 158 F HN 0.360 nan 8.300 nan 0.000 0.482 159 I N 0.516 121.405 120.570 0.533 0.000 2.646 159 I HA 0.651 4.821 4.170 -0.000 0.000 0.299 159 I C -1.508 174.731 176.117 0.202 0.000 1.036 159 I CA -1.179 60.349 61.300 0.381 0.000 1.074 159 I CB 2.008 40.149 38.000 0.234 0.000 1.258 159 I HN 0.432 nan 8.210 nan 0.000 0.430 160 L N 4.898 126.103 121.223 -0.031 0.000 2.313 160 L HA 0.427 4.767 4.340 -0.000 0.000 0.282 160 L C -0.293 176.334 176.870 -0.405 0.000 1.092 160 L CA 0.711 55.252 54.840 -0.500 0.000 0.831 160 L CB 0.205 41.984 42.059 -0.467 0.000 1.159 160 L HN 0.602 nan 8.230 nan 0.000 0.442 161 E N 4.490 124.298 120.200 -0.653 0.000 2.238 161 E HA 0.383 4.733 4.350 -0.000 0.000 0.267 161 E C -1.028 175.234 176.600 -0.563 0.000 0.887 161 E CA -0.594 55.452 56.400 -0.589 0.000 0.769 161 E CB 1.891 31.164 29.700 -0.711 0.000 1.187 161 E HN 0.579 nan 8.360 nan 0.000 0.416 162 E N 0.660 120.703 120.200 -0.262 0.000 2.214 162 E HA 0.517 4.867 4.350 -0.000 0.000 0.274 162 E C -0.472 176.127 176.600 -0.002 0.000 0.977 162 E CA -0.867 55.461 56.400 -0.121 0.000 0.827 162 E CB 1.731 31.384 29.700 -0.079 0.000 1.130 162 E HN 0.525 nan 8.360 nan 0.000 0.394 163 A N 3.054 125.909 122.820 0.058 0.000 2.561 163 A HA 0.077 4.397 4.320 -0.000 0.000 0.234 163 A C -0.057 177.561 177.584 0.057 0.000 1.055 163 A CA 0.405 52.498 52.037 0.094 0.000 0.756 163 A CB -0.110 18.937 19.000 0.077 0.000 0.986 163 A HN 0.551 nan 8.150 nan 0.000 0.505 164 I N 2.438 123.047 120.570 0.066 0.000 2.354 164 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 164 I C 0.546 176.689 176.117 0.043 0.000 0.989 164 I CA -0.123 61.205 61.300 0.047 0.000 1.188 164 I CB 1.342 39.371 38.000 0.049 0.000 1.342 164 I HN 0.712 nan 8.210 nan 0.000 0.457 165 R N 3.324 123.846 120.500 0.036 0.000 2.807 165 R HA 0.727 5.066 4.340 -0.000 0.000 0.276 165 R C -0.418 175.904 176.300 0.037 0.000 0.979 165 R CA -0.875 55.246 56.100 0.034 0.000 0.928 165 R CB 2.463 32.781 30.300 0.031 0.000 1.191 165 R HN 0.759 nan 8.270 nan 0.000 0.471 166 G N -0.380 108.444 108.800 0.040 0.000 2.511 166 G HA2 0.169 4.129 3.960 -0.000 0.000 0.318 166 G HA3 0.169 4.129 3.960 -0.000 0.000 0.318 166 G C -0.114 174.811 174.900 0.043 0.000 1.210 166 G CA -0.469 44.665 45.100 0.055 0.000 0.969 166 G HN 0.538 nan 8.290 nan 0.000 0.484 167 D N -0.497 119.952 120.400 0.082 0.000 2.117 167 D HA 0.001 4.641 4.640 -0.000 0.000 0.198 167 D C -0.088 176.142 176.300 -0.118 0.000 0.982 167 D CA 1.436 55.462 54.000 0.045 0.000 0.828 167 D CB 0.148 41.082 40.800 0.223 0.000 0.967 167 D HN 0.183 nan 8.370 nan 0.000 0.464 168 F N -0.618 119.351 119.950 0.032 0.000 2.613 168 F HA 0.560 5.087 4.527 -0.000 0.000 0.314 168 F C -0.297 175.517 175.800 0.024 0.000 1.075 168 F CA -1.228 56.791 58.000 0.032 0.000 0.945 168 F CB 1.937 40.945 39.000 0.015 0.000 1.310 168 F HN -0.291 nan 8.300 nan 0.000 0.467 169 A N 2.413 125.349 122.820 0.195 0.000 2.371 169 A HA 0.864 5.184 4.320 -0.000 0.000 0.311 169 A C -1.628 176.027 177.584 0.118 0.000 1.068 169 A CA -0.632 51.477 52.037 0.120 0.000 0.744 169 A CB 1.066 20.103 19.000 0.062 0.000 1.239 169 A HN 0.730 nan 8.150 nan 0.000 0.435 170 L N 2.990 124.265 121.223 0.085 0.000 2.294 170 L HA 0.579 4.919 4.340 -0.000 0.000 0.283 170 L C -0.938 175.974 176.870 0.070 0.000 1.015 170 L CA -0.726 54.152 54.840 0.063 0.000 0.831 170 L CB 1.330 43.408 42.059 0.032 0.000 1.217 170 L HN 0.418 nan 8.230 nan 0.000 0.420 171 V N 2.649 122.614 119.914 0.084 0.000 2.656 171 V HA 0.446 4.566 4.120 -0.000 0.000 0.307 171 V C -0.269 175.913 176.094 0.146 0.000 1.051 171 V CA -0.846 61.529 62.300 0.124 0.000 0.893 171 V CB 2.463 34.368 31.823 0.137 0.000 0.999 171 V HN 0.563 nan 8.190 nan 0.000 0.426 172 K N 3.233 123.746 120.400 0.189 0.000 2.185 172 K HA 0.862 5.181 4.320 -0.000 0.000 0.269 172 K C -0.544 176.220 176.600 0.275 0.000 0.987 172 K CA 0.058 56.466 56.287 0.201 0.000 0.865 172 K CB 1.481 34.092 32.500 0.185 0.000 1.090 172 K HN 0.947 nan 8.250 nan 0.000 0.450 173 A N 3.198 126.110 122.820 0.153 0.000 2.530 173 A HA 0.504 4.824 4.320 -0.000 0.000 0.288 173 A C -0.633 176.989 177.584 0.063 0.000 1.172 173 A CA -0.771 51.278 52.037 0.020 0.000 0.733 173 A CB 0.184 18.958 19.000 -0.378 0.000 1.320 173 A HN 0.904 nan 8.150 nan 0.000 0.419 174 W N 0.720 121.908 121.300 -0.187 0.000 2.519 174 W HA 0.315 4.974 4.660 -0.000 0.000 0.313 174 W C 0.040 176.504 176.519 -0.092 0.000 1.156 174 W CA 1.163 58.430 57.345 -0.130 0.000 1.394 174 W CB -0.043 29.362 29.460 -0.092 0.000 1.154 174 W HN 0.532 nan 8.180 nan 0.000 0.498 175 K N -0.249 120.075 120.400 -0.126 0.000 2.375 175 K HA 0.638 4.957 4.320 -0.000 0.000 0.249 175 K C -1.125 175.488 176.600 0.021 0.000 0.942 175 K CA -0.753 55.437 56.287 -0.162 0.000 0.806 175 K CB 2.212 34.540 32.500 -0.286 0.000 1.227 175 K HN -0.116 nan 8.250 nan 0.000 0.430 176 A N 1.686 124.558 122.820 0.086 0.000 2.365 176 A HA 0.471 4.791 4.320 -0.000 0.000 0.318 176 A C -1.073 176.587 177.584 0.126 0.000 1.091 176 A CA -0.776 51.361 52.037 0.166 0.000 0.763 176 A CB 0.871 19.946 19.000 0.124 0.000 1.248 176 A HN 0.823 nan 8.150 nan 0.000 0.442 177 D N 0.544 121.019 120.400 0.126 0.000 2.423 177 D HA 0.189 4.829 4.640 -0.000 0.000 0.255 177 D C 0.597 176.951 176.300 0.091 0.000 1.174 177 D CA -0.344 53.589 54.000 -0.113 0.000 1.008 177 D CB 0.382 40.981 40.800 -0.336 0.000 1.101 177 D HN 0.495 nan 8.370 nan 0.000 0.516 178 Q N -0.598 119.178 119.800 -0.039 0.000 2.437 178 Q HA 0.007 4.347 4.340 -0.000 0.000 0.210 178 Q C 1.490 177.496 176.000 0.009 0.000 0.972 178 Q CA 1.008 56.739 55.803 -0.118 0.000 0.903 178 Q CB -0.109 28.483 28.738 -0.245 0.000 0.967 178 Q HN 0.616 nan 8.270 nan 0.000 0.486 179 A N 0.055 122.942 122.820 0.112 0.000 2.169 179 A HA 0.288 4.608 4.320 -0.000 0.000 0.212 179 A C 1.596 179.344 177.584 0.272 0.000 1.153 179 A CA 0.893 53.031 52.037 0.168 0.000 0.756 179 A CB 0.015 19.068 19.000 0.088 0.000 0.813 179 A HN 0.437 nan 8.150 nan 0.000 0.471 180 G N -0.942 108.057 108.800 0.333 0.000 2.179 180 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 180 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 180 G C -0.127 174.843 174.900 0.116 0.000 0.990 180 G CA -0.045 45.156 45.100 0.169 0.000 0.646 180 G HN 0.429 nan 8.290 nan 0.000 0.517 181 N N 0.320 119.120 118.700 0.168 0.000 2.508 181 N HA 0.486 5.226 4.740 -0.000 0.000 0.264 181 N C 0.336 175.936 175.510 0.150 0.000 1.216 181 N CA 0.833 53.977 53.050 0.157 0.000 0.943 181 N CB 2.163 40.790 38.487 0.233 0.000 1.113 181 N HN 1.050 nan 8.380 nan 0.000 0.447 182 V N -1.412 118.470 119.914 -0.054 0.000 2.876 182 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 182 V C -0.098 175.676 176.094 -0.534 0.000 1.085 182 V CA -0.711 61.447 62.300 -0.237 0.000 0.945 182 V CB 1.758 33.429 31.823 -0.253 0.000 1.017 182 V HN 0.811 nan 8.190 nan 0.000 0.428 183 T N 0.979 115.136 114.554 -0.662 0.000 2.916 183 T HA 0.850 5.200 4.350 -0.000 0.000 0.292 183 T C -0.996 173.466 174.700 -0.396 0.000 1.064 183 T CA -0.559 61.176 62.100 -0.608 0.000 1.011 183 T CB 1.811 70.195 68.868 -0.808 0.000 1.152 183 T HN 0.693 nan 8.240 nan 0.000 0.510 184 F N -0.253 119.986 119.950 0.482 0.000 2.577 184 F HA 0.682 5.209 4.527 -0.000 0.000 0.318 184 F C 0.448 176.374 175.800 0.210 0.000 1.065 184 F CA -1.211 56.961 58.000 0.286 0.000 0.929 184 F CB 2.287 41.349 39.000 0.103 0.000 1.237 184 F HN 0.533 nan 8.300 nan 0.000 0.468 185 R N 2.639 123.191 120.500 0.088 0.000 2.338 185 R HA 0.430 4.770 4.340 -0.000 0.000 0.317 185 R C -0.041 175.970 176.300 -0.482 0.000 0.968 185 R CA -0.295 55.564 56.100 -0.402 0.000 0.849 185 R CB 0.796 30.484 30.300 -1.020 0.000 1.128 185 R HN 0.807 nan 8.270 nan 0.000 0.448 186 K N 0.491 120.446 120.400 -0.742 0.000 1.931 186 K HA -0.302 4.018 4.320 -0.000 0.000 0.126 186 K C 0.687 176.614 176.600 -1.122 0.000 1.372 186 K CA 1.890 57.311 56.287 -1.444 0.000 0.483 186 K CB -1.365 30.578 32.500 -0.929 0.000 0.562 186 K HN 0.754 nan 8.250 nan 0.000 0.923 187 S N 0.384 115.660 115.700 -0.705 0.000 2.631 187 S HA 0.260 4.729 4.470 -0.000 0.000 0.217 187 S C 1.405 175.859 174.600 -0.244 0.000 0.958 187 S CA 0.501 58.485 58.200 -0.359 0.000 0.920 187 S CB 0.493 63.566 63.200 -0.210 0.000 0.776 187 S HN 0.596 nan 8.310 nan 0.000 0.517 188 A N 1.562 124.251 122.820 -0.218 0.000 2.235 188 A HA 0.185 4.505 4.320 -0.000 0.000 0.208 188 A C 2.123 179.669 177.584 -0.063 0.000 1.172 188 A CA 0.448 52.433 52.037 -0.086 0.000 0.786 188 A CB -0.523 18.442 19.000 -0.060 0.000 0.804 188 A HN 0.587 nan 8.150 nan 0.000 0.479 189 R N 0.760 121.149 120.500 -0.185 0.000 2.064 189 R HA -0.196 4.144 4.340 -0.000 0.000 0.228 189 R C 1.658 177.723 176.300 -0.391 0.000 1.144 189 R CA 1.922 57.757 56.100 -0.442 0.000 0.932 189 R CB -0.454 29.578 30.300 -0.448 0.000 0.833 189 R HN 0.709 nan 8.270 nan 0.000 0.429 190 N N -1.207 117.327 118.700 -0.278 0.000 1.154 190 N HA -0.360 4.380 4.740 -0.000 0.000 0.135 190 N C 0.846 176.217 175.510 -0.231 0.000 0.562 190 N CA 2.493 55.436 53.050 -0.178 0.000 0.947 190 N CB -1.553 36.962 38.487 0.048 0.000 1.354 190 N HN 0.244 nan 8.380 nan 0.000 0.505 191 F N 0.221 120.139 119.950 -0.053 0.000 2.743 191 F HA 0.278 4.805 4.527 -0.000 0.000 0.297 191 F C 2.101 177.842 175.800 -0.099 0.000 1.131 191 F CA 0.046 58.018 58.000 -0.047 0.000 1.426 191 F CB -0.231 38.779 39.000 0.016 0.000 1.116 191 F HN 0.276 nan 8.300 nan 0.000 0.583 192 N N 0.599 119.288 118.700 -0.020 0.000 2.149 192 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 192 N C 2.070 177.497 175.510 -0.138 0.000 1.019 192 N CA 1.158 54.183 53.050 -0.041 0.000 0.857 192 N CB -0.404 38.064 38.487 -0.031 0.000 0.997 192 N HN 0.350 nan 8.380 nan 0.000 0.426 193 L N 1.826 122.812 121.223 -0.395 0.000 1.988 193 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 193 L C -0.826 175.936 176.870 -0.180 0.000 1.071 193 L CA 1.401 56.051 54.840 -0.317 0.000 0.744 193 L CB -1.121 40.678 42.059 -0.433 0.000 0.893 193 L HN 0.076 nan 8.230 nan 0.000 0.433 194 P HA -0.169 nan 4.420 nan 0.000 0.219 194 P C 1.778 179.022 177.300 -0.092 0.000 1.150 194 P CA 1.684 64.697 63.100 -0.144 0.000 0.814 194 P CB -0.123 31.500 31.700 -0.128 0.000 0.787 195 M N -1.112 118.474 119.600 -0.022 0.000 2.279 195 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 195 M C 2.281 178.565 176.300 -0.027 0.000 1.062 195 M CA 1.166 56.475 55.300 0.014 0.000 1.099 195 M CB -0.961 31.681 32.600 0.070 0.000 1.394 195 M HN 0.017 nan 8.290 nan 0.000 0.426 196 C N 0.930 120.194 119.300 -0.059 0.000 2.472 196 C HA -0.057 4.403 4.460 -0.000 0.000 0.278 196 C C 2.177 177.056 174.990 -0.185 0.000 1.447 196 C CA 0.921 59.892 59.018 -0.079 0.000 1.773 196 C CB -0.919 26.813 27.740 -0.013 0.000 1.793 196 C HN 0.429 nan 8.230 nan 0.000 0.544 197 K N -0.129 120.108 120.400 -0.273 0.000 2.353 197 K HA 0.232 4.551 4.320 -0.000 0.000 0.195 197 K C 1.160 177.715 176.600 -0.074 0.000 1.031 197 K CA 0.667 56.756 56.287 -0.330 0.000 1.079 197 K CB 0.275 32.441 32.500 -0.557 0.000 0.857 197 K HN 0.322 nan 8.250 nan 0.000 0.535 198 A N 1.039 123.834 122.820 -0.042 0.000 2.594 198 A HA 0.556 4.876 4.320 -0.000 0.000 0.287 198 A C 0.049 177.648 177.584 0.025 0.000 1.227 198 A CA -0.306 51.733 52.037 0.004 0.000 0.952 198 A CB 0.392 19.393 19.000 0.003 0.000 1.161 198 A HN 0.163 nan 8.150 nan 0.000 0.524 199 A N -0.734 122.106 122.820 0.032 0.000 2.454 199 A HA 0.647 4.967 4.320 -0.000 0.000 0.302 199 A C 0.581 178.192 177.584 0.044 0.000 1.079 199 A CA 0.043 52.096 52.037 0.027 0.000 0.731 199 A CB 0.973 19.987 19.000 0.023 0.000 1.299 199 A HN 0.149 nan 8.150 nan 0.000 0.413 200 E N 0.579 120.760 120.200 -0.032 0.000 2.085 200 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 200 E C 0.222 176.775 176.600 -0.079 0.000 0.994 200 E CA 2.231 58.588 56.400 -0.073 0.000 0.801 200 E CB 0.080 29.687 29.700 -0.154 0.000 0.743 200 E HN 0.566 nan 8.360 nan 0.000 0.453 201 T N 0.432 114.865 114.554 -0.203 0.000 2.890 201 T HA 0.358 4.708 4.350 -0.000 0.000 0.295 201 T C -1.049 173.688 174.700 0.061 0.000 0.993 201 T CA -0.651 61.416 62.100 -0.056 0.000 0.979 201 T CB 1.723 70.267 68.868 -0.541 0.000 0.967 201 T HN -0.121 nan 8.240 nan 0.000 0.441 202 T N 3.073 117.721 114.554 0.157 0.000 2.795 202 T HA 0.553 4.902 4.350 -0.000 0.000 0.282 202 T C -0.171 174.543 174.700 0.023 0.000 0.980 202 T CA -0.493 61.588 62.100 -0.033 0.000 1.012 202 T CB 0.901 69.607 68.868 -0.269 0.000 0.936 202 T HN 0.343 nan 8.240 nan 0.000 0.457 203 V N 4.233 124.179 119.914 0.053 0.000 2.407 203 V HA 0.454 4.574 4.120 -0.000 0.000 0.291 203 V C -0.264 175.841 176.094 0.019 0.000 1.018 203 V CA -0.818 61.498 62.300 0.026 0.000 0.842 203 V CB 1.608 33.452 31.823 0.036 0.000 0.996 203 V HN 0.679 nan 8.190 nan 0.000 0.426 204 V N 5.062 124.977 119.914 0.001 0.000 2.459 204 V HA 0.488 4.608 4.120 -0.000 0.000 0.295 204 V C 0.038 176.150 176.094 0.031 0.000 1.029 204 V CA -0.638 61.676 62.300 0.023 0.000 0.874 204 V CB 1.847 33.670 31.823 0.000 0.000 0.985 204 V HN 1.052 nan 8.190 nan 0.000 0.438 205 E N 4.518 124.765 120.200 0.079 0.000 2.179 205 E HA 0.747 5.097 4.350 -0.000 0.000 0.275 205 E C -0.839 175.853 176.600 0.154 0.000 0.945 205 E CA -0.747 55.730 56.400 0.129 0.000 0.792 205 E CB 2.268 32.072 29.700 0.172 0.000 1.125 205 E HN 0.502 nan 8.360 nan 0.000 0.397 206 V N -0.109 119.903 119.914 0.163 0.000 3.001 206 V HA 0.348 4.468 4.120 -0.000 0.000 0.314 206 V C 0.525 176.701 176.094 0.137 0.000 1.099 206 V CA -0.777 61.588 62.300 0.108 0.000 0.989 206 V CB 1.754 33.611 31.823 0.057 0.000 1.040 206 V HN 0.862 nan 8.190 nan 0.000 0.434 207 E N 0.441 120.636 120.200 -0.007 0.000 2.158 207 E HA 0.099 4.449 4.350 -0.000 0.000 0.191 207 E C -0.116 176.539 176.600 0.091 0.000 0.982 207 E CA 0.905 57.288 56.400 -0.028 0.000 0.823 207 E CB 0.249 29.888 29.700 -0.101 0.000 0.766 207 E HN 0.742 nan 8.360 nan 0.000 0.468 208 E N 0.142 120.368 120.200 0.043 0.000 2.331 208 E HA 0.381 4.731 4.350 -0.000 0.000 0.275 208 E C -0.902 175.697 176.600 -0.002 0.000 0.895 208 E CA -0.428 55.977 56.400 0.009 0.000 0.753 208 E CB 2.315 31.977 29.700 -0.063 0.000 1.216 208 E HN -0.006 nan 8.360 nan 0.000 0.434 209 I N 2.129 122.708 120.570 0.016 0.000 2.354 209 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 209 I C 0.291 176.367 176.117 -0.068 0.000 0.989 209 I CA -1.057 60.255 61.300 0.019 0.000 1.188 209 I CB 1.508 39.563 38.000 0.092 0.000 1.342 209 I HN 0.232 nan 8.210 nan 0.000 0.457 210 V N 1.730 121.558 119.914 -0.143 0.000 3.103 210 V HA 0.585 4.705 4.120 -0.000 0.000 0.318 210 V C -0.405 175.541 176.094 -0.246 0.000 1.114 210 V CA -0.913 61.252 62.300 -0.225 0.000 1.020 210 V CB 1.855 33.473 31.823 -0.341 0.000 1.085 210 V HN 0.465 nan 8.190 nan 0.000 0.446 211 D N 1.198 121.458 120.400 -0.234 0.000 2.399 211 D HA 0.352 4.992 4.640 -0.000 0.000 0.241 211 D C 0.394 176.538 176.300 -0.261 0.000 1.133 211 D CA 0.263 54.138 54.000 -0.207 0.000 0.890 211 D CB 0.744 41.446 40.800 -0.163 0.000 1.201 211 D HN 0.606 nan 8.370 nan 0.000 0.432 212 I N 1.046 121.499 120.570 -0.195 0.000 2.826 212 I HA 0.046 4.215 4.170 -0.000 0.000 0.295 212 I C 1.712 177.731 176.117 -0.164 0.000 1.213 212 I CA 0.941 62.139 61.300 -0.171 0.000 1.436 212 I CB 0.176 38.115 38.000 -0.101 0.000 1.348 212 I HN 0.709 nan 8.210 nan 0.000 0.570 213 G N 3.453 112.155 108.800 -0.164 0.000 2.194 213 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.236 213 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.236 213 G C 0.981 175.789 174.900 -0.154 0.000 0.987 213 G CA 0.371 45.399 45.100 -0.120 0.000 0.635 213 G HN 0.564 nan 8.290 nan 0.000 0.520 214 S N -0.258 115.263 115.700 -0.298 0.000 2.423 214 S HA 0.262 4.732 4.470 -0.000 0.000 0.231 214 S C 0.815 175.299 174.600 -0.193 0.000 1.014 214 S CA 0.480 58.484 58.200 -0.326 0.000 0.965 214 S CB -0.131 62.740 63.200 -0.550 0.000 0.785 214 S HN 0.480 nan 8.310 nan 0.000 0.495 215 F N 1.187 121.081 119.950 -0.093 0.000 2.421 215 F HA 0.570 5.097 4.527 -0.000 0.000 0.337 215 F C 0.607 176.371 175.800 -0.060 0.000 1.105 215 F CA -1.388 56.555 58.000 -0.096 0.000 1.049 215 F CB 0.777 39.708 39.000 -0.116 0.000 1.139 215 F HN -0.031 nan 8.300 nan 0.000 0.479 216 A N 4.789 127.700 122.820 0.153 0.000 2.511 216 A HA 0.184 4.504 4.320 -0.000 0.000 0.242 216 A C -1.505 176.129 177.584 0.083 0.000 1.069 216 A CA -1.160 50.928 52.037 0.085 0.000 0.763 216 A CB -0.138 18.898 19.000 0.060 0.000 1.001 216 A HN 0.564 nan 8.150 nan 0.000 0.498 217 P HA -0.145 nan 4.420 nan 0.000 0.218 217 P C 0.647 177.970 177.300 0.039 0.000 1.149 217 P CA 1.271 64.405 63.100 0.056 0.000 0.817 217 P CB 0.200 31.925 31.700 0.042 0.000 0.785 218 E N -0.135 120.087 120.200 0.036 0.000 2.265 218 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 218 E C 0.746 177.370 176.600 0.039 0.000 0.996 218 E CA 0.931 57.353 56.400 0.036 0.000 0.832 218 E CB -0.487 29.235 29.700 0.036 0.000 0.756 218 E HN 0.309 nan 8.360 nan 0.000 0.491 219 D N -0.293 120.115 120.400 0.012 0.000 2.593 219 D HA 0.155 4.795 4.640 -0.000 0.000 0.241 219 D C -0.348 175.808 176.300 -0.240 0.000 1.257 219 D CA -0.083 53.905 54.000 -0.020 0.000 0.828 219 D CB 0.325 41.127 40.800 0.004 0.000 1.049 219 D HN 0.150 nan 8.370 nan 0.000 0.490 220 I N 0.910 121.374 120.570 -0.178 0.000 2.337 220 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 220 I C 1.411 177.471 176.117 -0.094 0.000 1.046 220 I CA -0.221 60.907 61.300 -0.288 0.000 1.324 220 I CB 0.817 38.756 38.000 -0.101 0.000 1.409 220 I HN 0.002 nan 8.210 nan 0.000 0.494 221 H N 5.984 125.015 119.070 -0.065 0.000 2.403 221 H HA 0.204 4.759 4.556 -0.000 0.000 0.298 221 H C 0.083 175.509 175.328 0.163 0.000 1.059 221 H CA 0.420 56.528 56.048 0.099 0.000 1.363 221 H CB 0.572 30.495 29.762 0.269 0.000 1.410 221 H HN 0.322 nan 8.280 nan 0.000 0.528 222 I N 2.037 122.745 120.570 0.229 0.000 2.466 222 I HA 0.226 4.396 4.170 -0.000 0.000 0.279 222 I C -2.553 173.668 176.117 0.172 0.000 1.033 222 I CA -2.617 58.827 61.300 0.240 0.000 1.123 222 I CB 1.617 39.775 38.000 0.263 0.000 1.237 222 I HN -0.168 nan 8.210 nan 0.000 0.460 223 P HA 0.055 nan 4.420 nan 0.000 0.268 223 P C 0.832 178.188 177.300 0.092 0.000 1.208 223 P CA -0.186 62.980 63.100 0.111 0.000 0.777 223 P CB 0.579 32.313 31.700 0.058 0.000 0.875 224 K N 2.983 123.415 120.400 0.054 0.000 2.218 224 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 224 K C 1.701 178.313 176.600 0.021 0.000 1.046 224 K CA 1.476 57.794 56.287 0.051 0.000 0.933 224 K CB -0.869 31.672 32.500 0.068 0.000 0.728 224 K HN 0.338 nan 8.250 nan 0.000 0.454 225 I N 0.653 121.181 120.570 -0.070 0.000 2.423 225 I HA -0.282 3.888 4.170 -0.000 0.000 0.254 225 I C 1.202 177.258 176.117 -0.100 0.000 1.151 225 I CA 1.367 62.583 61.300 -0.141 0.000 1.421 225 I CB 0.055 37.869 38.000 -0.309 0.000 1.079 225 I HN 0.203 nan 8.210 nan 0.000 0.431 226 Y N -0.686 119.620 120.300 0.010 0.000 2.482 226 Y HA 0.175 4.725 4.550 -0.000 0.000 0.270 226 Y C 0.638 176.366 175.900 -0.286 0.000 1.152 226 Y CA -0.474 57.569 58.100 -0.095 0.000 1.292 226 Y CB 0.468 38.898 38.460 -0.050 0.000 1.070 226 Y HN -0.174 nan 8.280 nan 0.000 0.528 227 V N 0.863 120.766 119.914 -0.019 0.000 2.294 227 V HA 0.089 4.209 4.120 -0.000 0.000 0.272 227 V C 0.027 176.118 176.094 -0.005 0.000 1.027 227 V CA -0.325 61.932 62.300 -0.072 0.000 0.823 227 V CB 0.335 32.145 31.823 -0.022 0.000 1.030 227 V HN 0.449 nan 8.190 nan 0.000 0.457 228 H N 3.292 122.380 119.070 0.030 0.000 2.431 228 H HA 0.290 4.846 4.556 -0.000 0.000 0.295 228 H C 0.624 175.976 175.328 0.039 0.000 1.038 228 H CA 0.254 56.320 56.048 0.030 0.000 1.360 228 H CB 0.495 30.272 29.762 0.024 0.000 1.433 228 H HN 0.408 nan 8.280 nan 0.000 0.536 229 R N 0.877 121.449 120.500 0.120 0.000 2.574 229 R HA 0.443 4.782 4.340 -0.000 0.000 0.288 229 R C -1.952 174.329 176.300 -0.032 0.000 1.004 229 R CA -0.931 55.227 56.100 0.097 0.000 0.895 229 R CB 2.797 33.101 30.300 0.008 0.000 1.191 229 R HN -0.036 nan 8.270 nan 0.000 0.444 230 L N 2.572 123.748 121.223 -0.077 0.000 2.409 230 L HA 0.609 4.949 4.340 -0.000 0.000 0.272 230 L C -1.551 175.302 176.870 -0.029 0.000 0.980 230 L CA -0.783 53.941 54.840 -0.194 0.000 0.826 230 L CB 2.184 43.878 42.059 -0.608 0.000 1.268 230 L HN 0.454 nan 8.230 nan 0.000 0.407 231 V N 4.899 124.832 119.914 0.033 0.000 2.789 231 V HA 0.521 4.641 4.120 -0.000 0.000 0.311 231 V C -0.721 175.453 176.094 0.133 0.000 1.073 231 V CA -0.831 61.539 62.300 0.117 0.000 0.921 231 V CB 2.196 34.075 31.823 0.093 0.000 1.009 231 V HN 0.865 nan 8.190 nan 0.000 0.426 232 K N 4.447 124.945 120.400 0.163 0.000 2.285 232 K HA 0.519 4.838 4.320 -0.000 0.000 0.286 232 K C 0.331 177.037 176.600 0.177 0.000 1.072 232 K CA -0.024 56.371 56.287 0.180 0.000 0.913 232 K CB 0.669 33.269 32.500 0.167 0.000 1.067 232 K HN 0.949 nan 8.250 nan 0.000 0.479 233 G N 2.889 111.846 108.800 0.262 0.000 2.353 233 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.239 233 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.239 233 G C 0.462 175.350 174.900 -0.019 0.000 1.295 233 G CA -0.250 44.901 45.100 0.085 0.000 0.884 233 G HN 0.950 nan 8.290 nan 0.000 0.537 234 E N 1.140 121.271 120.200 -0.114 0.000 2.152 234 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 234 E C 0.847 177.381 176.600 -0.110 0.000 0.983 234 E CA 0.774 57.135 56.400 -0.065 0.000 0.818 234 E CB 0.089 29.758 29.700 -0.051 0.000 0.758 234 E HN 0.442 nan 8.360 nan 0.000 0.467 235 K N -0.529 119.693 120.400 -0.298 0.000 2.535 235 K HA 0.245 4.565 4.320 -0.000 0.000 0.251 235 K C -2.087 174.211 176.600 -0.503 0.000 0.942 235 K CA -0.538 55.610 56.287 -0.232 0.000 0.798 235 K CB 1.275 33.707 32.500 -0.112 0.000 1.267 235 K HN -0.078 nan 8.250 nan 0.000 0.434 236 Y N 2.310 122.663 120.300 0.088 0.000 2.349 236 Y HA 0.200 4.749 4.550 -0.000 0.000 0.324 236 Y C 0.489 176.446 175.900 0.095 0.000 1.005 236 Y CA -0.571 57.590 58.100 0.102 0.000 1.240 236 Y CB 2.078 40.594 38.460 0.094 0.000 1.117 236 Y HN 0.681 nan 8.280 nan 0.000 0.463 237 E N 2.164 122.504 120.200 0.232 0.000 2.371 237 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 237 E C 0.093 176.750 176.600 0.095 0.000 1.012 237 E CA 0.217 56.696 56.400 0.132 0.000 0.860 237 E CB 0.143 29.899 29.700 0.094 0.000 0.811 237 E HN 0.545 nan 8.360 nan 0.000 0.502 238 K N 1.313 121.803 120.400 0.151 0.000 3.077 238 K HA -0.203 4.117 4.320 -0.000 0.000 0.264 238 K C -0.598 176.020 176.600 0.029 0.000 1.008 238 K CA 0.397 56.738 56.287 0.091 0.000 0.740 238 K CB -1.337 31.202 32.500 0.064 0.000 1.273 238 K HN 0.201 nan 8.250 nan 0.000 0.477 239 R N 0.762 121.266 120.500 0.006 0.000 2.491 239 R HA 0.204 4.544 4.340 -0.000 0.000 0.283 239 R C 0.630 176.914 176.300 -0.027 0.000 1.072 239 R CA -0.134 55.908 56.100 -0.096 0.000 1.048 239 R CB 0.499 30.604 30.300 -0.325 0.000 0.983 239 R HN 0.094 nan 8.270 nan 0.000 0.450 240 I N 2.819 123.364 120.570 -0.043 0.000 2.330 240 I HA 0.052 4.222 4.170 -0.000 0.000 0.289 240 I C 1.443 177.546 176.117 -0.023 0.000 1.001 240 I CA 0.002 61.291 61.300 -0.019 0.000 1.193 240 I CB 1.388 39.373 38.000 -0.025 0.000 1.345 240 I HN 0.774 nan 8.210 nan 0.000 0.461 241 E N 6.286 126.488 120.200 0.003 0.000 2.046 241 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 241 E C 0.144 176.742 176.600 -0.004 0.000 0.982 241 E CA 0.941 57.345 56.400 0.007 0.000 0.800 241 E CB 0.536 30.257 29.700 0.036 0.000 0.756 241 E HN 0.478 nan 8.360 nan 0.000 0.449 242 R N 0.774 121.268 120.500 -0.009 0.000 2.473 242 R HA 0.283 4.623 4.340 -0.000 0.000 0.303 242 R C -1.497 174.767 176.300 -0.060 0.000 1.002 242 R CA -0.659 55.423 56.100 -0.030 0.000 0.884 242 R CB 1.635 31.922 30.300 -0.022 0.000 1.173 242 R HN 0.046 nan 8.270 nan 0.000 0.464 243 L N 2.406 123.587 121.223 -0.070 0.000 2.283 243 L HA 0.338 4.678 4.340 -0.000 0.000 0.287 243 L C -0.811 175.969 176.870 -0.149 0.000 1.073 243 L CA 0.511 55.299 54.840 -0.087 0.000 0.822 243 L CB 1.253 43.276 42.059 -0.061 0.000 1.186 243 L HN 0.467 nan 8.230 nan 0.000 0.436 244 S N 4.825 120.385 115.700 -0.233 0.000 2.659 244 S HA 0.735 5.205 4.470 -0.000 0.000 0.312 244 S C -0.673 173.709 174.600 -0.362 0.000 1.114 244 S CA -0.606 57.310 58.200 -0.474 0.000 1.063 244 S CB 1.437 64.063 63.200 -0.956 0.000 0.996 244 S HN 0.615 nan 8.310 nan 0.000 0.478 245 V N 1.278 121.075 119.914 -0.194 0.000 3.001 245 V HA 0.701 4.821 4.120 -0.000 0.000 0.314 245 V C -0.034 176.119 176.094 0.098 0.000 1.099 245 V CA -1.239 61.055 62.300 -0.011 0.000 0.989 245 V CB 1.818 33.633 31.823 -0.013 0.000 1.040 245 V HN 0.794 nan 8.190 nan 0.000 0.434 262 V N 1.872 121.719 119.914 -0.113 0.000 2.295 262 V HA -0.134 3.985 4.120 -0.000 0.000 0.246 262 V C 2.455 178.469 176.094 -0.134 0.000 1.049 262 V CA 2.330 64.536 62.300 -0.156 0.000 1.024 262 V CB -0.562 31.191 31.823 -0.118 0.000 0.648 262 V HN 0.308 nan 8.190 nan 0.000 0.447 263 R N -0.457 119.995 120.500 -0.079 0.000 2.075 263 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 263 R C 2.389 178.632 176.300 -0.095 0.000 1.126 263 R CA 1.596 57.659 56.100 -0.062 0.000 0.963 263 R CB -0.295 29.998 30.300 -0.012 0.000 0.858 263 R HN 0.593 nan 8.270 nan 0.000 0.435 264 E N 0.878 121.027 120.200 -0.086 0.000 2.106 264 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 264 E C 2.120 178.596 176.600 -0.207 0.000 0.984 264 E CA 0.875 57.198 56.400 -0.129 0.000 0.806 264 E CB 0.088 29.774 29.700 -0.025 0.000 0.750 264 E HN 0.177 nan 8.360 nan 0.000 0.458 265 R N 0.511 120.898 120.500 -0.189 0.000 2.073 265 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 265 R C 2.396 178.573 176.300 -0.205 0.000 1.134 265 R CA 1.521 57.484 56.100 -0.228 0.000 0.952 265 R CB -0.290 29.754 30.300 -0.427 0.000 0.850 265 R HN 0.208 nan 8.270 nan 0.000 0.433 266 I N 0.377 120.829 120.570 -0.195 0.000 2.163 266 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 266 I C 2.316 178.326 176.117 -0.179 0.000 1.085 266 I CA 1.023 62.231 61.300 -0.153 0.000 1.347 266 I CB -0.180 37.751 38.000 -0.115 0.000 1.044 266 I HN 0.234 nan 8.210 nan 0.000 0.408 267 I N 0.683 121.109 120.570 -0.240 0.000 2.546 267 I HA -0.206 3.964 4.170 -0.000 0.000 0.255 267 I C 2.224 178.074 176.117 -0.444 0.000 1.163 267 I CA 1.545 62.653 61.300 -0.320 0.000 1.457 267 I CB -0.327 37.470 38.000 -0.338 0.000 1.092 267 I HN 0.037 nan 8.210 nan 0.000 0.434 268 K N -0.415 119.708 120.400 -0.462 0.000 2.283 268 K HA -0.172 4.148 4.320 -0.000 0.000 0.202 268 K C 2.129 178.628 176.600 -0.169 0.000 1.048 268 K CA 0.734 56.814 56.287 -0.345 0.000 0.948 268 K CB -0.017 32.352 32.500 -0.219 0.000 0.742 268 K HN 0.084 nan 8.250 nan 0.000 0.458 269 R N 1.159 121.575 120.500 -0.140 0.000 2.080 269 R HA 0.078 4.418 4.340 -0.000 0.000 0.222 269 R C 1.869 178.077 176.300 -0.153 0.000 1.107 269 R CA 1.381 57.423 56.100 -0.097 0.000 0.980 269 R CB -0.563 29.708 30.300 -0.048 0.000 0.879 269 R HN 0.099 nan 8.270 nan 0.000 0.439 270 A N 0.504 123.204 122.820 -0.199 0.000 1.972 270 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 270 A C 2.274 179.588 177.584 -0.450 0.000 1.169 270 A CA 1.556 53.434 52.037 -0.267 0.000 0.635 270 A CB -0.901 17.961 19.000 -0.229 0.000 0.810 270 A HN 0.443 nan 8.150 nan 0.000 0.446 271 A N -0.299 122.297 122.820 -0.372 0.000 2.070 271 A HA -0.005 4.315 4.320 -0.000 0.000 0.220 271 A C 1.915 179.314 177.584 -0.309 0.000 1.159 271 A CA 1.296 53.106 52.037 -0.379 0.000 0.656 271 A CB -0.524 18.453 19.000 -0.038 0.000 0.800 271 A HN 0.490 nan 8.150 nan 0.000 0.453 272 L N -0.428 120.668 121.223 -0.210 0.000 2.610 272 L HA -0.025 4.314 4.340 -0.000 0.000 0.232 272 L C 1.798 178.590 176.870 -0.130 0.000 1.149 272 L CA 0.253 55.025 54.840 -0.114 0.000 0.872 272 L CB -0.232 41.785 42.059 -0.069 0.000 0.992 272 L HN 0.308 nan 8.230 nan 0.000 0.447 273 E N 0.162 120.207 120.200 -0.258 0.000 2.358 273 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 273 E C 0.500 177.061 176.600 -0.065 0.000 1.010 273 E CA 0.251 56.541 56.400 -0.183 0.000 0.856 273 E CB 0.084 29.643 29.700 -0.235 0.000 0.795 273 E HN 0.356 nan 8.360 nan 0.000 0.504 274 F N 1.586 121.529 119.950 -0.011 0.000 2.418 274 F HA 0.121 4.647 4.527 -0.000 0.000 0.341 274 F C 1.113 176.894 175.800 -0.031 0.000 1.120 274 F CA -0.246 57.740 58.000 -0.024 0.000 1.232 274 F CB 0.739 39.719 39.000 -0.034 0.000 1.175 274 F HN -0.265 nan 8.300 nan 0.000 0.569 275 E N 0.501 120.799 120.200 0.163 0.000 2.299 275 E HA 0.150 4.500 4.350 -0.000 0.000 0.265 275 E C -1.532 175.060 176.600 -0.013 0.000 0.911 275 E CA -1.133 55.302 56.400 0.058 0.000 0.789 275 E CB 1.772 31.498 29.700 0.044 0.000 1.246 275 E HN 0.452 nan 8.360 nan 0.000 0.427 276 D N -0.067 120.315 120.400 -0.031 0.000 2.450 276 D HA 0.203 4.843 4.640 -0.000 0.000 0.247 276 D C 0.879 177.117 176.300 -0.103 0.000 1.162 276 D CA 1.863 55.815 54.000 -0.079 0.000 0.879 276 D CB 0.391 41.159 40.800 -0.053 0.000 1.163 276 D HN 0.614 nan 8.370 nan 0.000 0.472 277 G N 3.332 112.015 108.800 -0.195 0.000 2.179 277 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 277 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 277 G C 0.510 175.247 174.900 -0.272 0.000 0.977 277 G CA 0.342 45.321 45.100 -0.201 0.000 0.641 277 G HN 0.630 nan 8.290 nan 0.000 0.533 278 M N 0.487 119.940 119.600 -0.245 0.000 2.243 278 M HA 0.580 5.060 4.480 -0.000 0.000 0.341 278 M C -0.310 175.793 176.300 -0.329 0.000 1.130 278 M CA -0.303 54.897 55.300 -0.167 0.000 1.162 278 M CB 0.362 32.938 32.600 -0.040 0.000 1.497 278 M HN 0.126 nan 8.290 nan 0.000 0.456 279 Y N 3.402 123.735 120.300 0.056 0.000 2.353 279 Y HA 0.606 5.156 4.550 -0.000 0.000 0.340 279 Y C 0.017 175.936 175.900 0.032 0.000 0.972 279 Y CA -0.621 57.508 58.100 0.049 0.000 1.157 279 Y CB 1.132 39.621 38.460 0.049 0.000 1.157 279 Y HN 0.736 nan 8.280 nan 0.000 0.495 280 A N 4.038 126.922 122.820 0.106 0.000 2.393 280 A HA 0.421 4.741 4.320 -0.000 0.000 0.306 280 A C -1.027 176.610 177.584 0.089 0.000 1.050 280 A CA -0.936 51.166 52.037 0.108 0.000 0.724 280 A CB 1.094 20.173 19.000 0.132 0.000 1.248 280 A HN 0.725 nan 8.150 nan 0.000 0.424 281 N N 2.503 121.267 118.700 0.106 0.000 2.473 281 N HA 0.505 5.245 4.740 -0.000 0.000 0.291 281 N C -1.319 174.252 175.510 0.103 0.000 1.083 281 N CA -0.229 52.868 53.050 0.079 0.000 0.951 281 N CB 0.884 39.405 38.487 0.057 0.000 1.164 281 N HN 0.604 nan 8.380 nan 0.000 0.480 282 L N 2.311 123.584 121.223 0.085 0.000 2.298 282 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 282 L C 1.130 178.051 176.870 0.085 0.000 1.013 282 L CA -0.990 53.911 54.840 0.102 0.000 0.824 282 L CB 1.580 43.702 42.059 0.105 0.000 1.221 282 L HN 0.550 nan 8.230 nan 0.000 0.418 283 G N 2.627 111.482 108.800 0.091 0.000 2.562 283 G HA2 0.408 4.368 3.960 -0.000 0.000 0.275 283 G HA3 0.408 4.368 3.960 -0.000 0.000 0.275 283 G C -0.258 174.691 174.900 0.082 0.000 1.196 283 G CA -0.641 44.513 45.100 0.090 0.000 0.908 283 G HN 0.587 nan 8.290 nan 0.000 0.524 284 I N 0.455 121.064 120.570 0.065 0.000 2.872 284 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 284 I C 1.159 177.315 176.117 0.066 0.000 1.216 284 I CA 1.903 63.228 61.300 0.042 0.000 1.424 284 I CB 0.356 38.325 38.000 -0.052 0.000 1.351 284 I HN 1.159 nan 8.210 nan 0.000 0.592 285 G N 5.446 114.289 108.800 0.072 0.000 2.475 285 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.223 285 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.223 285 G C 0.536 175.485 174.900 0.082 0.000 1.201 285 G CA 0.027 45.174 45.100 0.078 0.000 0.962 285 G HN 0.628 nan 8.290 nan 0.000 0.586 286 I N 2.423 123.032 120.570 0.066 0.000 2.194 286 I HA -0.129 4.041 4.170 -0.000 0.000 0.246 286 I C 0.039 176.192 176.117 0.061 0.000 1.093 286 I CA 2.240 63.573 61.300 0.054 0.000 1.355 286 I CB -1.025 36.990 38.000 0.024 0.000 1.046 286 I HN 0.333 nan 8.210 nan 0.000 0.413 287 P HA -0.184 nan 4.420 nan 0.000 0.217 287 P C 1.823 179.186 177.300 0.105 0.000 1.148 287 P CA 1.405 64.550 63.100 0.075 0.000 0.828 287 P CB -0.080 31.669 31.700 0.083 0.000 0.783 288 L N -1.641 119.652 121.223 0.116 0.000 2.127 288 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 288 L C 2.339 179.284 176.870 0.125 0.000 1.089 288 L CA 1.120 56.043 54.840 0.138 0.000 0.757 288 L CB -0.994 41.172 42.059 0.178 0.000 0.899 288 L HN -0.007 nan 8.230 nan 0.000 0.434 289 L N -0.201 121.109 121.223 0.145 0.000 2.187 289 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 289 L C 2.814 179.787 176.870 0.173 0.000 1.100 289 L CA 0.886 55.813 54.840 0.144 0.000 0.765 289 L CB -0.705 41.463 42.059 0.182 0.000 0.904 289 L HN 0.269 nan 8.230 nan 0.000 0.437 290 A N 0.023 122.949 122.820 0.177 0.000 2.070 290 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 290 A C 2.456 180.194 177.584 0.257 0.000 1.159 290 A CA 1.661 53.868 52.037 0.283 0.000 0.656 290 A CB -0.553 18.638 19.000 0.319 0.000 0.800 290 A HN 0.530 nan 8.150 nan 0.000 0.453 291 S N 0.051 115.791 115.700 0.065 0.000 2.547 291 S HA -0.068 4.401 4.470 -0.000 0.000 0.235 291 S C 1.117 175.640 174.600 -0.128 0.000 0.980 291 S CA 0.964 59.135 58.200 -0.049 0.000 0.941 291 S CB -0.538 62.603 63.200 -0.099 0.000 0.763 291 S HN 0.641 nan 8.310 nan 0.000 0.532 292 N N -0.014 118.592 118.700 -0.157 0.000 2.280 292 N HA 0.205 4.945 4.740 -0.000 0.000 0.192 292 N C -0.631 174.568 175.510 -0.518 0.000 1.109 292 N CA 0.311 53.145 53.050 -0.361 0.000 0.855 292 N CB 0.175 38.352 38.487 -0.517 0.000 0.974 292 N HN 0.485 nan 8.380 nan 0.000 0.482 293 F N 0.653 120.595 119.950 -0.015 0.000 2.814 293 F HA 0.431 4.958 4.527 -0.000 0.000 0.326 293 F C 0.327 176.174 175.800 0.077 0.000 1.159 293 F CA -0.455 57.561 58.000 0.028 0.000 1.234 293 F CB 0.507 39.527 39.000 0.033 0.000 1.016 293 F HN -0.196 nan 8.300 nan 0.000 0.510 294 I N 0.823 121.473 120.570 0.133 0.000 2.471 294 I HA 0.099 4.268 4.170 -0.000 0.000 0.286 294 I C 0.556 176.702 176.117 0.047 0.000 1.079 294 I CA -0.144 61.212 61.300 0.093 0.000 1.398 294 I CB 0.732 38.706 38.000 -0.044 0.000 1.403 294 I HN 0.055 nan 8.210 nan 0.000 0.530 295 S N 7.936 123.676 115.700 0.067 0.000 2.572 295 S HA 0.106 4.576 4.470 -0.000 0.000 0.279 295 S C -1.680 172.919 174.600 -0.002 0.000 1.341 295 S CA -0.883 57.339 58.200 0.036 0.000 1.043 295 S CB 0.671 63.898 63.200 0.046 0.000 0.887 295 S HN 0.486 nan 8.310 nan 0.000 0.516 296 P HA 0.081 nan 4.420 nan 0.000 0.233 296 P C 0.150 177.436 177.300 -0.024 0.000 1.167 296 P CA 0.587 63.674 63.100 -0.023 0.000 0.770 296 P CB 0.080 31.770 31.700 -0.018 0.000 0.837 297 N N -0.937 117.753 118.700 -0.017 0.000 2.321 297 N HA 0.215 4.955 4.740 -0.000 0.000 0.242 297 N C -0.050 175.443 175.510 -0.028 0.000 1.141 297 N CA 0.163 53.201 53.050 -0.019 0.000 0.864 297 N CB 0.084 38.565 38.487 -0.010 0.000 1.100 297 N HN 0.224 nan 8.380 nan 0.000 0.510 298 M N -0.231 119.343 119.600 -0.042 0.000 2.446 298 M HA 0.295 4.775 4.480 -0.000 0.000 0.294 298 M C -1.146 175.080 176.300 -0.124 0.000 1.158 298 M CA -0.351 54.910 55.300 -0.064 0.000 0.899 298 M CB 2.154 34.732 32.600 -0.036 0.000 1.687 298 M HN -0.223 nan 8.290 nan 0.000 0.455 299 T N 3.119 117.565 114.554 -0.180 0.000 2.756 299 T HA 0.576 4.926 4.350 -0.000 0.000 0.290 299 T C -0.955 173.448 174.700 -0.495 0.000 0.985 299 T CA -0.444 61.467 62.100 -0.315 0.000 0.955 299 T CB 0.632 69.329 68.868 -0.284 0.000 0.930 299 T HN 0.394 nan 8.240 nan 0.000 0.451 300 V N 4.458 124.038 119.914 -0.556 0.000 2.487 300 V HA 0.358 4.478 4.120 -0.000 0.000 0.298 300 V C -0.656 175.038 176.094 -0.666 0.000 1.028 300 V CA -1.046 60.877 62.300 -0.628 0.000 0.860 300 V CB 1.394 32.854 31.823 -0.605 0.000 0.991 300 V HN 0.907 nan 8.190 nan 0.000 0.427 301 H N 4.798 123.648 119.070 -0.366 0.000 2.641 301 H HA 0.566 5.122 4.556 -0.000 0.000 0.295 301 H C -0.537 174.697 175.328 -0.157 0.000 1.070 301 H CA -0.384 55.517 56.048 -0.245 0.000 1.257 301 H CB 0.908 30.499 29.762 -0.284 0.000 1.393 301 H HN 0.475 nan 8.280 nan 0.000 0.464 302 L N 3.174 124.365 121.223 -0.053 0.000 2.275 302 L HA 0.263 4.603 4.340 -0.000 0.000 0.288 302 L C 0.121 176.996 176.870 0.007 0.000 1.046 302 L CA -0.529 54.269 54.840 -0.070 0.000 0.805 302 L CB 1.167 43.146 42.059 -0.133 0.000 1.193 302 L HN 0.539 nan 8.230 nan 0.000 0.426 303 Q N 2.088 121.910 119.800 0.036 0.000 2.245 303 Q HA 0.382 4.721 4.340 -0.000 0.000 0.256 303 Q C -1.164 174.832 176.000 -0.006 0.000 0.942 303 Q CA -0.141 55.686 55.803 0.040 0.000 0.896 303 Q CB 2.229 31.007 28.738 0.066 0.000 1.272 303 Q HN 0.587 nan 8.270 nan 0.000 0.442 304 S N 1.523 117.192 115.700 -0.050 0.000 2.502 304 S HA 0.141 4.611 4.470 -0.000 0.000 0.304 304 S C 0.788 175.290 174.600 -0.163 0.000 1.097 304 S CA -0.522 57.621 58.200 -0.095 0.000 1.045 304 S CB 0.911 64.039 63.200 -0.120 0.000 1.019 304 S HN 0.696 nan 8.310 nan 0.000 0.481 305 E N 3.605 123.705 120.200 -0.166 0.000 2.265 305 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 305 E C 0.966 177.394 176.600 -0.286 0.000 0.996 305 E CA 1.121 57.361 56.400 -0.266 0.000 0.832 305 E CB -0.413 29.209 29.700 -0.130 0.000 0.756 305 E HN 0.719 nan 8.360 nan 0.000 0.491 306 N N 1.327 119.756 118.700 -0.452 0.000 2.550 306 N HA -0.043 4.696 4.740 -0.000 0.000 0.186 306 N C 0.866 176.084 175.510 -0.486 0.000 1.110 306 N CA 1.099 53.705 53.050 -0.740 0.000 0.912 306 N CB 0.440 37.983 38.487 -1.574 0.000 0.968 306 N HN 0.344 nan 8.380 nan 0.000 0.448 307 G N 0.203 108.737 108.800 -0.443 0.000 2.462 307 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.124 307 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.124 307 G C -0.761 173.483 174.900 -1.093 0.000 1.062 307 G CA -0.480 44.205 45.100 -0.692 0.000 0.764 307 G HN 0.274 nan 8.290 nan 0.000 0.485 308 I N -0.135 119.987 120.570 -0.747 0.000 2.647 308 I HA 0.693 4.862 4.170 -0.000 0.000 0.295 308 I C -0.697 175.266 176.117 -0.257 0.000 1.078 308 I CA -1.380 59.581 61.300 -0.564 0.000 1.048 308 I CB 2.216 40.056 38.000 -0.267 0.000 1.239 308 I HN 0.096 nan 8.210 nan 0.000 0.421 309 L N 4.887 126.014 121.223 -0.160 0.000 2.372 309 L HA 0.818 5.158 4.340 -0.000 0.000 0.274 309 L C 0.166 176.994 176.870 -0.070 0.000 0.988 309 L CA 0.183 55.043 54.840 0.033 0.000 0.833 309 L CB 1.492 43.657 42.059 0.176 0.000 1.236 309 L HN 0.815 nan 8.230 nan 0.000 0.410 310 G N 4.588 113.370 108.800 -0.031 0.000 2.245 310 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.130 310 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.130 310 G C -0.243 174.611 174.900 -0.076 0.000 1.040 310 G CA -0.281 44.796 45.100 -0.040 0.000 0.713 310 G HN 0.604 nan 8.290 nan 0.000 0.488 311 L N 0.359 121.539 121.223 -0.072 0.000 2.485 311 L HA 0.471 4.811 4.340 -0.000 0.000 0.275 311 L C 1.418 178.245 176.870 -0.072 0.000 1.207 311 L CA 0.888 55.688 54.840 -0.066 0.000 0.855 311 L CB 0.621 42.649 42.059 -0.052 0.000 1.114 311 L HN 0.365 nan 8.230 nan 0.000 0.485 312 G N 2.684 111.448 108.800 -0.060 0.000 3.016 312 G HA2 0.648 4.607 3.960 -0.000 0.000 0.270 312 G HA3 0.648 4.607 3.960 -0.000 0.000 0.270 312 G C -2.854 171.993 174.900 -0.089 0.000 1.352 312 G CA -1.152 43.906 45.100 -0.071 0.000 1.060 312 G HN 0.324 nan 8.290 nan 0.000 0.538 313 P HA 0.155 nan 4.420 nan 0.000 0.273 313 P C -0.616 176.651 177.300 -0.056 0.000 1.250 313 P CA -0.234 62.768 63.100 -0.163 0.000 0.793 313 P CB 0.257 31.872 31.700 -0.142 0.000 1.011 314 Y N 0.666 120.953 120.300 -0.020 0.000 2.683 314 Y HA 0.041 4.591 4.550 -0.000 0.000 0.340 314 Y C -1.179 174.711 175.900 -0.017 0.000 1.245 314 Y CA -1.802 56.292 58.100 -0.011 0.000 1.485 314 Y CB -0.504 37.954 38.460 -0.003 0.000 1.328 314 Y HN 0.306 nan 8.280 nan 0.000 0.603 315 P HA 0.075 nan 4.420 nan 0.000 0.274 315 P C -0.612 176.723 177.300 0.057 0.000 1.237 315 P CA -0.284 62.861 63.100 0.076 0.000 0.793 315 P CB 0.954 32.684 31.700 0.051 0.000 0.977 316 L N 1.188 122.431 121.223 0.033 0.000 2.483 316 L HA -0.051 4.289 4.340 -0.000 0.000 0.275 316 L C 2.442 179.320 176.870 0.014 0.000 1.220 316 L CA 0.049 54.901 54.840 0.021 0.000 0.833 316 L CB -0.201 41.866 42.059 0.013 0.000 1.102 316 L HN 0.439 nan 8.230 nan 0.000 0.490 317 Q N 2.265 122.069 119.800 0.007 0.000 2.118 317 Q HA -0.309 4.031 4.340 -0.000 0.000 0.211 317 Q C 1.650 177.650 176.000 -0.001 0.000 0.998 317 Q CA 2.400 58.202 55.803 -0.001 0.000 0.872 317 Q CB -0.297 28.439 28.738 -0.003 0.000 0.925 317 Q HN 0.660 nan 8.270 nan 0.000 0.414 318 N N -0.574 118.127 118.700 0.002 0.000 2.512 318 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 318 N C 0.476 175.987 175.510 0.003 0.000 1.073 318 N CA 0.836 53.887 53.050 0.002 0.000 0.911 318 N CB 0.090 38.580 38.487 0.004 0.000 0.964 318 N HN 0.450 nan 8.380 nan 0.000 0.447 319 E N 0.057 120.260 120.200 0.005 0.000 2.474 319 E HA 0.083 4.433 4.350 -0.000 0.000 0.195 319 E C -0.069 176.533 176.600 0.003 0.000 1.039 319 E CA -0.287 56.116 56.400 0.005 0.000 0.881 319 E CB 0.891 30.598 29.700 0.011 0.000 0.970 319 E HN 0.056 nan 8.360 nan 0.000 0.486 320 V N 2.347 122.261 119.914 0.000 0.000 2.673 320 V HA -0.048 4.071 4.120 -0.000 0.000 0.303 320 V C 0.129 176.215 176.094 -0.013 0.000 1.046 320 V CA 0.639 62.937 62.300 -0.005 0.000 1.126 320 V CB 0.738 32.554 31.823 -0.011 0.000 0.934 320 V HN 0.135 nan 8.190 nan 0.000 0.487 321 D N 3.272 123.661 120.400 -0.019 0.000 2.788 321 D HA 0.472 5.112 4.640 -0.000 0.000 0.247 321 D C 0.538 176.815 176.300 -0.039 0.000 1.236 321 D CA -0.101 53.876 54.000 -0.038 0.000 0.898 321 D CB 2.132 42.898 40.800 -0.057 0.000 1.401 321 D HN 0.499 nan 8.370 nan 0.000 0.549 322 A N 3.329 126.128 122.820 -0.034 0.000 2.131 322 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 322 A C 1.232 178.795 177.584 -0.034 0.000 1.158 322 A CA 1.143 53.169 52.037 -0.017 0.000 0.665 322 A CB 0.027 19.029 19.000 0.003 0.000 0.795 322 A HN 0.501 nan 8.150 nan 0.000 0.460 323 D N -1.519 118.828 120.400 -0.090 0.000 2.339 323 D HA 0.176 4.816 4.640 -0.000 0.000 0.217 323 D C -0.329 175.878 176.300 -0.155 0.000 1.050 323 D CA 0.315 54.230 54.000 -0.142 0.000 0.856 323 D CB 0.458 41.109 40.800 -0.249 0.000 0.922 323 D HN 0.303 nan 8.370 nan 0.000 0.518 324 L N 1.785 122.953 121.223 -0.092 0.000 2.401 324 L HA 0.397 4.737 4.340 -0.000 0.000 0.263 324 L C -0.779 176.087 176.870 -0.005 0.000 1.004 324 L CA -0.757 54.050 54.840 -0.056 0.000 0.881 324 L CB 0.519 42.562 42.059 -0.027 0.000 1.219 324 L HN -0.095 nan 8.230 nan 0.000 0.441 325 I N 1.117 121.685 120.570 -0.003 0.000 3.042 325 I HA 0.748 4.918 4.170 -0.000 0.000 0.310 325 I C -0.542 175.587 176.117 0.019 0.000 1.117 325 I CA -0.897 60.425 61.300 0.036 0.000 1.003 325 I CB 2.108 40.153 38.000 0.075 0.000 1.228 325 I HN 0.528 nan 8.210 nan 0.000 0.443 326 N N 2.432 121.169 118.700 0.063 0.000 2.566 326 N HA 0.465 5.205 4.740 -0.000 0.000 0.299 326 N C 0.703 176.268 175.510 0.091 0.000 1.277 326 N CA -0.170 52.909 53.050 0.048 0.000 0.965 326 N CB 0.458 39.003 38.487 0.098 0.000 1.142 326 N HN 0.809 nan 8.380 nan 0.000 0.596 327 A N -1.588 121.287 122.820 0.091 0.000 2.121 327 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 327 A C 1.632 179.340 177.584 0.207 0.000 1.154 327 A CA 1.220 53.382 52.037 0.209 0.000 0.679 327 A CB -1.323 17.762 19.000 0.141 0.000 0.795 327 A HN 0.790 nan 8.150 nan 0.000 0.458 328 G N -1.290 107.582 108.800 0.121 0.000 3.284 328 G HA2 0.317 4.277 3.960 -0.000 0.000 0.236 328 G HA3 0.317 4.277 3.960 -0.000 0.000 0.236 328 G C 0.548 175.493 174.900 0.074 0.000 1.158 328 G CA 0.245 45.377 45.100 0.053 0.000 0.774 328 G HN 0.468 nan 8.290 nan 0.000 0.545 329 K N -0.410 120.079 120.400 0.148 0.000 3.230 329 K HA -0.160 4.160 4.320 -0.000 0.000 0.285 329 K C -0.257 176.389 176.600 0.075 0.000 1.196 329 K CA 0.785 57.153 56.287 0.136 0.000 0.838 329 K CB -1.319 31.234 32.500 0.088 0.000 1.262 329 K HN 0.544 nan 8.250 nan 0.000 0.492 330 E N 1.355 121.596 120.200 0.068 0.000 2.266 330 E HA 0.136 4.486 4.350 -0.000 0.000 0.277 330 E C 0.310 176.925 176.600 0.024 0.000 1.018 330 E CA -0.387 56.017 56.400 0.007 0.000 0.840 330 E CB 0.938 30.636 29.700 -0.002 0.000 1.082 330 E HN 0.209 nan 8.360 nan 0.000 0.395 331 T N -0.414 114.127 114.554 -0.022 0.000 2.908 331 T HA 0.231 4.581 4.350 -0.000 0.000 0.301 331 T C 0.285 175.034 174.700 0.082 0.000 1.019 331 T CA -0.631 61.474 62.100 0.009 0.000 1.152 331 T CB 0.165 69.021 68.868 -0.020 0.000 0.966 331 T HN 0.165 nan 8.240 nan 0.000 0.540 332 V N 1.909 121.886 119.914 0.105 0.000 3.156 332 V HA 0.834 4.954 4.120 -0.000 0.000 0.310 332 V C 0.527 176.673 176.094 0.087 0.000 1.234 332 V CA -0.931 61.463 62.300 0.156 0.000 1.065 332 V CB 1.968 33.877 31.823 0.143 0.000 1.088 332 V HN 1.252 nan 8.190 nan 0.000 0.451 333 T N -1.058 113.536 114.554 0.067 0.000 2.927 333 T HA 0.873 5.222 4.350 -0.000 0.000 0.286 333 T C -0.525 174.183 174.700 0.013 0.000 1.040 333 T CA -0.456 61.665 62.100 0.036 0.000 1.010 333 T CB 1.797 70.678 68.868 0.021 0.000 1.177 333 T HN 1.384 nan 8.240 nan 0.000 0.546 334 V N -0.959 118.956 119.914 0.002 0.000 2.960 334 V HA 0.768 4.888 4.120 -0.000 0.000 0.315 334 V C -0.458 175.613 176.094 -0.039 0.000 1.087 334 V CA -1.346 60.931 62.300 -0.039 0.000 0.982 334 V CB 1.135 32.905 31.823 -0.089 0.000 1.039 334 V HN 0.991 nan 8.190 nan 0.000 0.437 335 L N 1.169 122.362 121.223 -0.051 0.000 2.431 335 L HA 0.576 4.916 4.340 -0.000 0.000 0.260 335 L C -2.149 174.701 176.870 -0.034 0.000 1.098 335 L CA -1.875 52.942 54.840 -0.038 0.000 0.800 335 L CB 1.197 43.232 42.059 -0.039 0.000 1.210 335 L HN 0.475 nan 8.230 nan 0.000 0.465 336 P HA 0.096 nan 4.420 nan 0.000 0.266 336 P C 0.438 177.728 177.300 -0.016 0.000 1.195 336 P CA 0.488 63.579 63.100 -0.015 0.000 0.768 336 P CB 0.550 32.246 31.700 -0.007 0.000 0.838 337 G N 0.863 109.648 108.800 -0.025 0.000 2.143 337 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.249 337 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.249 337 G C 0.450 175.309 174.900 -0.067 0.000 0.981 337 G CA -0.034 45.046 45.100 -0.034 0.000 0.665 337 G HN 0.844 nan 8.290 nan 0.000 0.528 338 A N -0.301 122.460 122.820 -0.100 0.000 2.346 338 A HA 0.853 5.173 4.320 -0.000 0.000 0.252 338 A C 0.816 178.254 177.584 -0.243 0.000 1.089 338 A CA 0.932 52.858 52.037 -0.184 0.000 0.797 338 A CB 0.662 19.500 19.000 -0.269 0.000 1.047 338 A HN 2.031 nan 8.150 nan 0.000 0.494 339 S N -0.893 114.616 115.700 -0.317 0.000 2.569 339 S HA 0.754 5.224 4.470 -0.000 0.000 0.280 339 S C -1.196 173.073 174.600 -0.552 0.000 1.111 339 S CA -0.633 57.403 58.200 -0.273 0.000 0.887 339 S CB 0.892 64.089 63.200 -0.005 0.000 1.095 339 S HN 0.547 nan 8.310 nan 0.000 0.476 340 Y N 0.896 121.092 120.300 -0.172 0.000 2.509 340 Y HA 0.810 5.360 4.550 -0.000 0.000 0.341 340 Y C -0.276 175.409 175.900 -0.357 0.000 1.038 340 Y CA -0.962 56.871 58.100 -0.445 0.000 1.089 340 Y CB 1.652 39.923 38.460 -0.315 0.000 1.241 340 Y HN 0.863 nan 8.280 nan 0.000 0.468 341 F N -1.911 118.013 119.950 -0.042 0.000 2.741 341 F HA 0.675 5.202 4.527 -0.000 0.000 0.313 341 F C -0.523 175.158 175.800 -0.197 0.000 1.153 341 F CA -1.654 56.259 58.000 -0.145 0.000 0.931 341 F CB 0.425 39.330 39.000 -0.158 0.000 1.335 341 F HN 0.357 nan 8.300 nan 0.000 0.460 342 S N -0.141 115.554 115.700 -0.008 0.000 2.634 342 S HA 0.348 4.818 4.470 -0.000 0.000 0.261 342 S C 0.627 175.150 174.600 -0.128 0.000 1.271 342 S CA 0.085 58.184 58.200 -0.168 0.000 0.985 342 S CB 1.182 64.254 63.200 -0.214 0.000 0.968 342 S HN 0.691 nan 8.310 nan 0.000 0.568 343 S N 1.428 116.953 115.700 -0.292 0.000 2.383 343 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 343 S C 1.715 176.231 174.600 -0.138 0.000 1.026 343 S CA 1.281 59.294 58.200 -0.311 0.000 0.981 343 S CB -0.697 61.932 63.200 -0.951 0.000 0.818 343 S HN 0.920 nan 8.310 nan 0.000 0.472 344 D N 1.547 121.823 120.400 -0.207 0.000 2.144 344 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 344 D C 1.777 178.042 176.300 -0.058 0.000 0.984 344 D CA 1.183 55.119 54.000 -0.107 0.000 0.834 344 D CB -0.439 40.275 40.800 -0.144 0.000 0.955 344 D HN 0.376 nan 8.370 nan 0.000 0.465 345 E N 1.143 121.297 120.200 -0.077 0.000 2.107 345 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 345 E C 2.055 178.556 176.600 -0.165 0.000 0.982 345 E CA 1.322 57.650 56.400 -0.121 0.000 0.809 345 E CB -0.436 29.197 29.700 -0.113 0.000 0.756 345 E HN 0.142 nan 8.360 nan 0.000 0.459 346 S N -1.125 114.558 115.700 -0.029 0.000 2.359 346 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 346 S C 1.672 176.107 174.600 -0.275 0.000 1.035 346 S CA 1.361 59.504 58.200 -0.094 0.000 1.018 346 S CB -0.500 62.650 63.200 -0.083 0.000 0.876 346 S HN 0.400 nan 8.310 nan 0.000 0.448 347 F N 1.519 121.443 119.950 -0.043 0.000 2.456 347 F HA 0.254 4.781 4.527 -0.000 0.000 0.298 347 F C 2.431 178.211 175.800 -0.034 0.000 1.104 347 F CA 0.491 58.478 58.000 -0.021 0.000 1.435 347 F CB -0.470 38.528 39.000 -0.003 0.000 1.078 347 F HN 0.271 nan 8.300 nan 0.000 0.546 348 A N 0.105 122.955 122.820 0.049 0.000 1.902 348 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 348 A C 2.255 179.837 177.584 -0.004 0.000 1.181 348 A CA 1.662 53.696 52.037 -0.004 0.000 0.623 348 A CB -0.743 18.207 19.000 -0.082 0.000 0.818 348 A HN 0.410 nan 8.150 nan 0.000 0.443 349 M N -0.647 118.882 119.600 -0.118 0.000 2.108 349 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 349 M C 1.943 178.266 176.300 0.040 0.000 1.066 349 M CA 1.855 57.077 55.300 -0.130 0.000 1.107 349 M CB -0.283 32.105 32.600 -0.352 0.000 1.356 349 M HN 0.455 nan 8.290 nan 0.000 0.406 350 I N -0.643 119.918 120.570 -0.015 0.000 2.193 350 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 350 I C 2.470 178.644 176.117 0.095 0.000 1.084 350 I CA 1.186 62.502 61.300 0.027 0.000 1.365 350 I CB -0.422 37.566 38.000 -0.020 0.000 1.064 350 I HN 0.242 nan 8.210 nan 0.000 0.410 351 R N 0.540 121.125 120.500 0.140 0.000 2.152 351 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 351 R C 1.999 178.356 176.300 0.095 0.000 1.117 351 R CA 1.219 57.404 56.100 0.142 0.000 0.981 351 R CB -0.387 30.014 30.300 0.169 0.000 0.870 351 R HN 0.429 nan 8.270 nan 0.000 0.451 352 G N -1.206 107.647 108.800 0.087 0.000 2.985 352 G HA2 0.139 4.098 3.960 -0.000 0.000 0.209 352 G HA3 0.139 4.098 3.960 -0.000 0.000 0.209 352 G C 0.760 175.521 174.900 -0.231 0.000 1.165 352 G CA 0.382 45.483 45.100 0.003 0.000 0.776 352 G HN 0.434 nan 8.290 nan 0.000 0.541 353 G N -0.116 108.610 108.800 -0.124 0.000 2.136 353 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 353 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 353 G C 0.832 175.602 174.900 -0.216 0.000 0.989 353 G CA 0.468 45.476 45.100 -0.154 0.000 0.682 353 G HN 0.579 nan 8.290 nan 0.000 0.522 354 H N -1.044 117.989 119.070 -0.062 0.000 2.535 354 H HA 0.193 4.749 4.556 -0.000 0.000 0.273 354 H C 1.277 176.547 175.328 -0.096 0.000 0.983 354 H CA 1.090 57.070 56.048 -0.113 0.000 1.238 354 H CB 0.510 30.157 29.762 -0.192 0.000 1.412 354 H HN 0.336 nan 8.280 nan 0.000 0.562 355 V N 2.081 122.026 119.914 0.053 0.000 2.439 355 V HA 0.030 4.149 4.120 -0.000 0.000 0.282 355 V C 0.679 176.830 176.094 0.096 0.000 1.039 355 V CA -0.214 62.135 62.300 0.082 0.000 0.913 355 V CB 1.651 33.512 31.823 0.064 0.000 0.983 355 V HN 0.347 nan 8.190 nan 0.000 0.460 356 N N 3.292 122.079 118.700 0.144 0.000 2.333 356 N HA 0.202 4.942 4.740 -0.000 0.000 0.178 356 N C 0.022 175.595 175.510 0.105 0.000 1.018 356 N CA 0.351 53.474 53.050 0.121 0.000 0.882 356 N CB 0.452 39.025 38.487 0.144 0.000 0.984 356 N HN 0.558 nan 8.380 nan 0.000 0.434 357 L N -0.695 120.600 121.223 0.120 0.000 2.505 357 L HA 0.427 4.767 4.340 -0.000 0.000 0.259 357 L C -1.634 175.310 176.870 0.123 0.000 0.952 357 L CA -0.529 54.382 54.840 0.118 0.000 0.840 357 L CB 2.485 44.630 42.059 0.144 0.000 1.358 357 L HN -0.256 nan 8.230 nan 0.000 0.409 358 T N 4.349 118.967 114.554 0.107 0.000 2.861 358 T HA 0.532 4.881 4.350 -0.000 0.000 0.287 358 T C -1.068 173.691 174.700 0.099 0.000 1.003 358 T CA -0.500 61.665 62.100 0.107 0.000 0.977 358 T CB 1.195 70.120 68.868 0.094 0.000 0.996 358 T HN 0.680 nan 8.240 nan 0.000 0.448 359 M N 6.007 125.672 119.600 0.107 0.000 2.114 359 M HA 0.582 5.062 4.480 -0.000 0.000 0.332 359 M C -1.797 174.551 176.300 0.080 0.000 1.014 359 M CA -0.662 54.687 55.300 0.083 0.000 0.956 359 M CB 0.487 33.142 32.600 0.092 0.000 1.551 359 M HN 0.520 nan 8.290 nan 0.000 0.427 360 L N 3.664 124.928 121.223 0.068 0.000 2.370 360 L HA 0.758 5.098 4.340 -0.000 0.000 0.266 360 L C 0.450 177.359 176.870 0.064 0.000 1.002 360 L CA -1.064 53.822 54.840 0.076 0.000 0.818 360 L CB 2.090 44.200 42.059 0.084 0.000 1.325 360 L HN 0.759 nan 8.230 nan 0.000 0.418 361 G N 0.810 109.653 108.800 0.072 0.000 2.580 361 G HA2 0.701 4.661 3.960 -0.000 0.000 0.278 361 G HA3 0.701 4.661 3.960 -0.000 0.000 0.278 361 G C -0.940 174.003 174.900 0.070 0.000 1.212 361 G CA -0.030 45.109 45.100 0.064 0.000 0.939 361 G HN 0.798 nan 8.290 nan 0.000 0.513 362 A N 0.047 122.901 122.820 0.056 0.000 2.574 362 A HA 0.603 4.923 4.320 -0.000 0.000 0.297 362 A C 0.437 178.046 177.584 0.041 0.000 1.062 362 A CA -0.579 51.490 52.037 0.054 0.000 0.686 362 A CB 1.398 20.418 19.000 0.032 0.000 1.285 362 A HN 0.577 nan 8.150 nan 0.000 0.403 363 M N -0.125 119.501 119.600 0.043 0.000 2.394 363 M HA 0.100 4.579 4.480 -0.000 0.000 0.266 363 M C 0.405 176.708 176.300 0.006 0.000 1.098 363 M CA 1.359 56.672 55.300 0.022 0.000 1.149 363 M CB 0.261 32.872 32.600 0.017 0.000 1.369 363 M HN 0.768 nan 8.290 nan 0.000 0.450 364 Q N -0.544 119.259 119.800 0.005 0.000 2.416 364 Q HA 0.589 4.929 4.340 -0.000 0.000 0.281 364 Q C -1.538 174.453 176.000 -0.015 0.000 1.067 364 Q CA -0.672 55.123 55.803 -0.012 0.000 0.809 364 Q CB 3.667 32.398 28.738 -0.011 0.000 1.418 364 Q HN -0.065 nan 8.270 nan 0.000 0.411 365 V N 1.100 120.985 119.914 -0.048 0.000 2.760 365 V HA 0.492 4.612 4.120 -0.000 0.000 0.309 365 V C -0.318 175.723 176.094 -0.088 0.000 1.077 365 V CA -0.715 61.552 62.300 -0.056 0.000 0.910 365 V CB 1.902 33.679 31.823 -0.076 0.000 1.008 365 V HN 0.921 nan 8.190 nan 0.000 0.424 366 S N 3.225 118.887 115.700 -0.063 0.000 2.693 366 S HA 0.382 4.852 4.470 -0.000 0.000 0.276 366 S C 1.091 175.597 174.600 -0.156 0.000 1.192 366 S CA -0.182 57.968 58.200 -0.083 0.000 0.994 366 S CB 1.353 64.545 63.200 -0.014 0.000 1.012 366 S HN 0.778 nan 8.310 nan 0.000 0.550 367 K N -0.051 120.203 120.400 -0.243 0.000 2.113 367 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 367 K C 0.768 177.058 176.600 -0.517 0.000 1.047 367 K CA 1.757 57.774 56.287 -0.450 0.000 0.928 367 K CB -0.353 31.770 32.500 -0.628 0.000 0.716 367 K HN 0.817 nan 8.250 nan 0.000 0.446 368 Y N -1.171 119.110 120.300 -0.032 0.000 2.485 368 Y HA 0.232 4.782 4.550 -0.000 0.000 0.260 368 Y C 1.094 176.990 175.900 -0.008 0.000 1.173 368 Y CA 0.010 58.103 58.100 -0.013 0.000 1.252 368 Y CB 1.432 39.890 38.460 -0.003 0.000 1.123 368 Y HN 0.312 nan 8.280 nan 0.000 0.524 369 G N -0.061 108.778 108.800 0.065 0.000 2.148 369 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.203 369 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.203 369 G C -0.559 174.375 174.900 0.056 0.000 0.993 369 G CA -0.398 44.730 45.100 0.046 0.000 0.661 369 G HN 0.206 nan 8.290 nan 0.000 0.518 370 D N -0.105 120.332 120.400 0.062 0.000 2.423 370 D HA 0.470 5.110 4.640 -0.000 0.000 0.238 370 D C 0.355 176.684 176.300 0.047 0.000 1.142 370 D CA 0.196 54.233 54.000 0.061 0.000 0.884 370 D CB 1.739 42.575 40.800 0.060 0.000 1.199 370 D HN 0.339 nan 8.370 nan 0.000 0.438 371 L N 0.882 122.145 121.223 0.067 0.000 2.365 371 L HA 0.658 4.998 4.340 -0.000 0.000 0.273 371 L C -1.322 175.609 176.870 0.103 0.000 1.000 371 L CA -0.779 54.105 54.840 0.073 0.000 0.819 371 L CB 1.758 43.869 42.059 0.087 0.000 1.284 371 L HN 0.397 nan 8.230 nan 0.000 0.418 372 A N 3.678 126.550 122.820 0.087 0.000 2.335 372 A HA 0.713 5.032 4.320 -0.000 0.000 0.304 372 A C -0.571 177.079 177.584 0.109 0.000 1.118 372 A CA -0.286 51.810 52.037 0.100 0.000 0.757 372 A CB 0.530 19.543 19.000 0.022 0.000 1.188 372 A HN 0.834 nan 8.150 nan 0.000 0.460 373 N N 1.165 119.987 118.700 0.204 0.000 2.361 373 N HA -0.006 4.734 4.740 -0.000 0.000 0.253 373 N C 0.068 175.756 175.510 0.297 0.000 1.413 373 N CA -0.015 53.152 53.050 0.195 0.000 0.821 373 N CB -0.244 38.349 38.487 0.175 0.000 1.380 373 N HN 0.822 nan 8.380 nan 0.000 0.493 374 W N -0.317 121.026 121.300 0.071 0.000 2.661 374 W HA 0.563 5.222 4.660 -0.000 0.000 0.288 374 W C -0.488 176.069 176.519 0.063 0.000 1.014 374 W CA -0.339 57.051 57.345 0.075 0.000 1.396 374 W CB 0.383 29.887 29.460 0.074 0.000 0.963 374 W HN 0.000 nan 8.180 nan 0.000 0.584 375 M N 1.414 120.848 119.600 -0.276 0.000 2.426 375 M HA 0.440 4.920 4.480 -0.000 0.000 0.289 375 M C -2.385 173.765 176.300 -0.249 0.000 1.168 375 M CA -0.432 54.696 55.300 -0.286 0.000 0.933 375 M CB 2.284 34.544 32.600 -0.565 0.000 1.750 375 M HN -0.088 nan 8.290 nan 0.000 0.494 376 I N 5.433 125.926 120.570 -0.128 0.000 2.371 376 I HA 0.378 4.548 4.170 -0.000 0.000 0.282 376 I C -2.226 173.836 176.117 -0.091 0.000 1.031 376 I CA -1.913 59.324 61.300 -0.105 0.000 1.180 376 I CB 1.318 39.281 38.000 -0.061 0.000 1.336 376 I HN 0.427 nan 8.210 nan 0.000 0.467 377 P HA -0.025 nan 4.420 nan 0.000 0.260 377 P C 1.003 178.258 177.300 -0.076 0.000 1.172 377 P CA 0.883 63.943 63.100 -0.068 0.000 0.760 377 P CB 0.517 32.181 31.700 -0.059 0.000 0.773 378 G N 2.947 111.682 108.800 -0.109 0.000 2.189 378 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.267 378 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.267 378 G C 0.838 175.640 174.900 -0.162 0.000 0.975 378 G CA 0.806 45.774 45.100 -0.220 0.000 0.644 378 G HN 0.562 nan 8.290 nan 0.000 0.537 379 K N -1.902 118.441 120.400 -0.094 0.000 2.485 379 K HA 0.506 4.826 4.320 -0.000 0.000 0.200 379 K C -0.056 176.526 176.600 -0.030 0.000 1.352 379 K CA 0.356 56.603 56.287 -0.066 0.000 0.953 379 K CB 0.899 33.364 32.500 -0.057 0.000 1.387 379 K HN 0.389 nan 8.250 nan 0.000 0.512 380 L N 1.214 122.431 121.223 -0.010 0.000 2.562 380 L HA 0.371 4.711 4.340 -0.000 0.000 0.266 380 L C -1.939 174.962 176.870 0.051 0.000 0.949 380 L CA -0.617 54.235 54.840 0.020 0.000 0.879 380 L CB 2.280 44.345 42.059 0.010 0.000 1.278 380 L HN -0.233 nan 8.230 nan 0.000 0.404 381 V N 6.374 126.350 119.914 0.104 0.000 2.350 381 V HA 0.518 4.638 4.120 -0.000 0.000 0.285 381 V C 0.465 176.591 176.094 0.053 0.000 1.014 381 V CA -0.596 61.799 62.300 0.159 0.000 0.831 381 V CB 1.034 33.061 31.823 0.341 0.000 1.000 381 V HN 0.773 nan 8.190 nan 0.000 0.433 382 K N 2.801 123.218 120.400 0.028 0.000 2.240 382 K HA 0.408 4.728 4.320 -0.000 0.000 0.202 382 K C 0.982 177.457 176.600 -0.209 0.000 1.053 382 K CA 0.906 57.105 56.287 -0.147 0.000 0.973 382 K CB 0.430 32.973 32.500 0.071 0.000 0.924 382 K HN 1.036 nan 8.250 nan 0.000 0.477 383 G N 2.233 111.124 108.800 0.152 0.000 2.705 383 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.686 383 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.686 383 G C 0.458 175.516 174.900 0.263 0.000 1.285 383 G CA 0.066 45.275 45.100 0.183 0.000 0.800 383 G HN 0.103 nan 8.290 nan 0.000 0.611 384 M N 1.091 120.714 119.600 0.038 0.000 2.506 384 M HA 0.296 4.776 4.480 -0.000 0.000 0.260 384 M C 1.702 178.055 176.300 0.089 0.000 1.104 384 M CA 2.229 57.521 55.300 -0.013 0.000 1.112 384 M CB -1.712 30.638 32.600 -0.416 0.000 1.401 384 M HN 2.763 nan 8.290 nan 0.000 0.473 385 G N 1.447 110.321 108.800 0.124 0.000 2.614 385 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.303 385 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.303 385 G C 0.712 175.683 174.900 0.118 0.000 1.270 385 G CA 0.634 45.821 45.100 0.144 0.000 0.988 385 G HN 0.795 nan 8.290 nan 0.000 0.551 386 G N 0.082 109.029 108.800 0.245 0.000 2.985 386 G HA2 0.488 4.447 3.960 -0.000 0.000 0.209 386 G HA3 0.488 4.447 3.960 -0.000 0.000 0.209 386 G C 1.738 176.795 174.900 0.262 0.000 1.165 386 G CA 1.788 47.110 45.100 0.369 0.000 0.776 386 G HN 1.634 nan 8.290 nan 0.000 0.541 387 A N 0.950 123.868 122.820 0.163 0.000 1.933 387 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 387 A C 2.335 179.984 177.584 0.108 0.000 1.175 387 A CA 1.365 53.485 52.037 0.138 0.000 0.628 387 A CB -0.300 18.779 19.000 0.132 0.000 0.814 387 A HN 0.395 nan 8.150 nan 0.000 0.444 388 M N -0.539 119.092 119.600 0.051 0.000 2.213 388 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 388 M C 1.350 177.699 176.300 0.082 0.000 1.062 388 M CA 1.465 56.786 55.300 0.035 0.000 1.105 388 M CB -0.492 32.081 32.600 -0.045 0.000 1.385 388 M HN 0.394 nan 8.290 nan 0.000 0.417 389 D N 0.491 120.963 120.400 0.120 0.000 2.149 389 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 389 D C 2.058 178.478 176.300 0.200 0.000 0.972 389 D CA 1.212 55.324 54.000 0.187 0.000 0.835 389 D CB -0.045 40.947 40.800 0.319 0.000 0.966 389 D HN 0.356 nan 8.370 nan 0.000 0.476 390 L N 1.014 122.360 121.223 0.204 0.000 2.201 390 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 390 L C 2.312 179.252 176.870 0.116 0.000 1.105 390 L CA 0.594 55.527 54.840 0.154 0.000 0.775 390 L CB -0.127 42.020 42.059 0.147 0.000 0.913 390 L HN -0.002 nan 8.230 nan 0.000 0.440 391 V N -6.437 113.543 119.914 0.109 0.000 3.633 391 V HA 0.157 4.277 4.120 -0.000 0.000 0.283 391 V C 1.583 177.727 176.094 0.082 0.000 1.305 391 V CA 0.533 62.887 62.300 0.091 0.000 1.153 391 V CB 0.429 32.305 31.823 0.089 0.000 0.950 391 V HN 0.196 nan 8.190 nan 0.000 0.432 392 S N 1.207 116.960 115.700 0.089 0.000 2.548 392 S HA 0.204 4.673 4.470 -0.000 0.000 0.215 392 S C 1.005 175.640 174.600 0.058 0.000 0.976 392 S CA 0.547 58.792 58.200 0.075 0.000 0.908 392 S CB -0.053 63.201 63.200 0.091 0.000 0.781 392 S HN 0.900 nan 8.310 nan 0.000 0.519 393 S N 0.783 116.520 115.700 0.061 0.000 2.489 393 S HA 0.719 5.189 4.470 -0.000 0.000 0.291 393 S C 0.950 175.569 174.600 0.031 0.000 1.151 393 S CA -0.419 57.806 58.200 0.043 0.000 1.082 393 S CB 1.697 64.920 63.200 0.038 0.000 1.019 393 S HN 0.158 nan 8.310 nan 0.000 0.492 394 A N 2.437 125.269 122.820 0.020 0.000 2.125 394 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 394 A C 1.795 179.390 177.584 0.019 0.000 1.156 394 A CA 1.040 53.087 52.037 0.018 0.000 0.671 394 A CB -0.514 18.493 19.000 0.012 0.000 0.794 394 A HN 0.870 nan 8.150 nan 0.000 0.459 395 K N -0.516 119.891 120.400 0.012 0.000 2.404 395 K HA 0.065 4.384 4.320 -0.000 0.000 0.194 395 K C -0.482 176.132 176.600 0.024 0.000 1.023 395 K CA 0.364 56.655 56.287 0.007 0.000 1.094 395 K CB 0.305 32.792 32.500 -0.023 0.000 0.841 395 K HN 0.276 nan 8.250 nan 0.000 0.523 396 T N 1.782 116.357 114.554 0.035 0.000 2.791 396 T HA 0.148 4.498 4.350 -0.000 0.000 0.288 396 T C -0.581 174.153 174.700 0.056 0.000 0.999 396 T CA -0.650 61.481 62.100 0.051 0.000 0.952 396 T CB 1.680 70.582 68.868 0.057 0.000 0.938 396 T HN 0.043 nan 8.240 nan 0.000 0.444 397 K N 2.889 123.325 120.400 0.060 0.000 2.326 397 K HA 0.389 4.709 4.320 -0.000 0.000 0.275 397 K C -0.859 175.779 176.600 0.064 0.000 1.018 397 K CA -0.342 55.980 56.287 0.058 0.000 0.962 397 K CB 0.469 33.003 32.500 0.058 0.000 0.953 397 K HN 0.308 nan 8.250 nan 0.000 0.475 398 V N 5.134 125.082 119.914 0.058 0.000 2.378 398 V HA 0.260 4.380 4.120 -0.000 0.000 0.288 398 V C -0.749 175.375 176.094 0.049 0.000 1.016 398 V CA -0.905 61.431 62.300 0.060 0.000 0.840 398 V CB 1.557 33.417 31.823 0.062 0.000 0.994 398 V HN 0.540 nan 8.190 nan 0.000 0.431 399 V N 5.891 125.832 119.914 0.045 0.000 2.384 399 V HA 0.454 4.574 4.120 -0.000 0.000 0.287 399 V C -0.032 176.079 176.094 0.028 0.000 1.020 399 V CA -0.651 61.665 62.300 0.027 0.000 0.850 399 V CB 1.958 33.783 31.823 0.003 0.000 0.987 399 V HN 0.578 nan 8.190 nan 0.000 0.436 400 V N 4.448 124.376 119.914 0.024 0.000 2.439 400 V HA 0.502 4.621 4.120 -0.000 0.000 0.282 400 V C 0.488 176.587 176.094 0.008 0.000 1.039 400 V CA -0.263 62.050 62.300 0.022 0.000 0.913 400 V CB 2.061 33.896 31.823 0.021 0.000 0.983 400 V HN 1.032 nan 8.190 nan 0.000 0.460 401 T N 4.048 118.605 114.554 0.006 0.000 2.791 401 T HA 0.805 5.155 4.350 -0.000 0.000 0.288 401 T C -0.689 174.010 174.700 -0.002 0.000 0.999 401 T CA -0.679 61.415 62.100 -0.009 0.000 0.952 401 T CB 1.046 69.901 68.868 -0.021 0.000 0.938 401 T HN 0.775 nan 8.240 nan 0.000 0.444 402 M N 0.601 120.196 119.600 -0.009 0.000 2.534 402 M HA 0.611 5.091 4.480 -0.000 0.000 0.280 402 M C -1.322 174.974 176.300 -0.007 0.000 1.217 402 M CA -0.871 54.426 55.300 -0.006 0.000 0.893 402 M CB 1.897 34.491 32.600 -0.009 0.000 1.730 402 M HN 0.356 nan 8.290 nan 0.000 0.483 403 E N 1.302 121.503 120.200 0.002 0.000 2.414 403 E HA -0.009 4.341 4.350 -0.000 0.000 0.263 403 E C 0.075 176.701 176.600 0.043 0.000 1.000 403 E CA 0.338 56.749 56.400 0.018 0.000 0.914 403 E CB 0.823 30.532 29.700 0.014 0.000 0.948 403 E HN 0.778 nan 8.360 nan 0.000 0.444 404 H N 1.637 120.704 119.070 -0.005 0.000 2.321 404 H HA -0.051 4.504 4.556 -0.000 0.000 0.300 404 H C 0.002 175.353 175.328 0.039 0.000 1.087 404 H CA 1.514 57.575 56.048 0.022 0.000 1.319 404 H CB 0.500 30.274 29.762 0.019 0.000 1.379 404 H HN 0.217 nan 8.280 nan 0.000 0.501 405 S N -1.257 114.558 115.700 0.192 0.000 2.634 405 S HA 0.706 5.175 4.470 -0.000 0.000 0.296 405 S C -0.744 173.899 174.600 0.071 0.000 1.104 405 S CA -0.531 57.757 58.200 0.146 0.000 0.920 405 S CB 2.097 65.406 63.200 0.183 0.000 1.111 405 S HN 0.548 nan 8.310 nan 0.000 0.493 406 A N 1.186 124.034 122.820 0.047 0.000 2.239 406 A HA 0.610 4.930 4.320 -0.000 0.000 0.303 406 A C 0.107 177.698 177.584 0.010 0.000 1.114 406 A CA -0.565 51.484 52.037 0.021 0.000 0.871 406 A CB 0.159 19.165 19.000 0.010 0.000 1.201 406 A HN 0.750 nan 8.150 nan 0.000 0.506 407 K N -0.509 119.892 120.400 0.002 0.000 2.524 407 K HA 0.256 4.576 4.320 -0.000 0.000 0.279 407 K C 0.974 177.566 176.600 -0.014 0.000 0.993 407 K CA 1.308 57.592 56.287 -0.004 0.000 1.030 407 K CB -0.227 32.270 32.500 -0.006 0.000 0.891 407 K HN 1.723 nan 8.250 nan 0.000 0.488 408 G N 3.443 112.235 108.800 -0.014 0.000 2.147 408 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.244 408 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.244 408 G C 0.257 175.137 174.900 -0.034 0.000 1.005 408 G CA 0.565 45.651 45.100 -0.023 0.000 0.713 408 G HN 1.032 nan 8.290 nan 0.000 0.515 409 N N -2.031 116.658 118.700 -0.018 0.000 2.714 409 N HA -0.108 4.632 4.740 -0.000 0.000 0.250 409 N C 0.732 176.195 175.510 -0.077 0.000 1.117 409 N CA 2.072 55.115 53.050 -0.012 0.000 0.719 409 N CB -1.193 37.291 38.487 -0.005 0.000 1.081 409 N HN 2.014 nan 8.380 nan 0.000 0.557 410 A N 0.588 123.361 122.820 -0.077 0.000 2.488 410 A HA 0.258 4.578 4.320 -0.000 0.000 0.249 410 A C 0.081 177.636 177.584 -0.049 0.000 1.083 410 A CA -0.062 51.898 52.037 -0.128 0.000 0.768 410 A CB 0.120 19.080 19.000 -0.067 0.000 1.017 410 A HN 0.434 nan 8.150 nan 0.000 0.496 411 H N 1.917 121.001 119.070 0.024 0.000 2.848 411 H HA 0.113 4.668 4.556 -0.000 0.000 0.341 411 H C 0.676 176.001 175.328 -0.006 0.000 1.060 411 H CA 0.409 56.470 56.048 0.023 0.000 1.444 411 H CB 0.939 30.712 29.762 0.018 0.000 1.446 411 H HN 0.751 nan 8.280 nan 0.000 0.583 412 K N 2.146 122.611 120.400 0.108 0.000 2.365 412 K HA 0.253 4.573 4.320 -0.000 0.000 0.195 412 K C 0.374 176.944 176.600 -0.050 0.000 1.079 412 K CA 0.303 56.597 56.287 0.012 0.000 0.979 412 K CB 0.836 33.326 32.500 -0.016 0.000 0.929 412 K HN 0.373 nan 8.250 nan 0.000 0.523 413 I N 2.223 122.726 120.570 -0.112 0.000 2.325 413 I HA 0.252 4.421 4.170 -0.000 0.000 0.291 413 I C -0.261 175.759 176.117 -0.162 0.000 1.019 413 I CA -0.044 61.137 61.300 -0.198 0.000 1.302 413 I CB 0.871 38.654 38.000 -0.362 0.000 1.401 413 I HN 0.014 nan 8.210 nan 0.000 0.485 414 M N 3.370 122.886 119.600 -0.140 0.000 2.813 414 M HA 0.212 4.692 4.480 -0.000 0.000 0.270 414 M C 0.511 176.750 176.300 -0.101 0.000 1.267 414 M CA -0.639 54.604 55.300 -0.095 0.000 0.822 414 M CB 2.181 34.768 32.600 -0.021 0.000 1.671 414 M HN 0.366 nan 8.290 nan 0.000 0.468 415 E N 1.358 121.517 120.200 -0.069 0.000 2.058 415 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 415 E C -0.417 176.167 176.600 -0.027 0.000 0.997 415 E CA 1.813 58.176 56.400 -0.062 0.000 0.801 415 E CB 0.444 30.132 29.700 -0.020 0.000 0.746 415 E HN 0.345 nan 8.360 nan 0.000 0.450 416 K N -0.912 119.485 120.400 -0.005 0.000 2.464 416 K HA 0.368 4.688 4.320 -0.000 0.000 0.253 416 K C -1.213 175.390 176.600 0.004 0.000 0.933 416 K CA -0.913 55.382 56.287 0.014 0.000 0.801 416 K CB 1.998 34.514 32.500 0.025 0.000 1.271 416 K HN 0.012 nan 8.250 nan 0.000 0.430 417 C N 1.693 120.997 119.300 0.006 0.000 2.662 417 C HA 0.071 4.531 4.460 -0.000 0.000 0.420 417 C C 1.990 176.978 174.990 -0.003 0.000 1.314 417 C CA -0.181 58.838 59.018 0.001 0.000 1.963 417 C CB 0.016 27.761 27.740 0.007 0.000 2.686 417 C HN 0.934 nan 8.230 nan 0.000 0.609 418 T N -0.488 114.059 114.554 -0.012 0.000 3.001 418 T HA 0.255 4.605 4.350 -0.000 0.000 0.251 418 T C 0.232 174.908 174.700 -0.041 0.000 1.040 418 T CA 0.150 62.238 62.100 -0.019 0.000 0.985 418 T CB -0.087 68.771 68.868 -0.016 0.000 1.011 418 T HN 0.525 nan 8.240 nan 0.000 0.509 419 L N 1.543 122.734 121.223 -0.054 0.000 2.360 419 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 419 L C -2.435 174.361 176.870 -0.125 0.000 1.057 419 L CA -2.912 51.865 54.840 -0.105 0.000 0.803 419 L CB 0.636 42.628 42.059 -0.112 0.000 1.207 419 L HN -0.160 nan 8.230 nan 0.000 0.445 420 P HA -0.018 nan 4.420 nan 0.000 0.261 420 P C -0.719 176.563 177.300 -0.031 0.000 1.173 420 P CA 0.304 63.265 63.100 -0.231 0.000 0.760 420 P CB 0.251 31.540 31.700 -0.685 0.000 0.783 421 L N 2.886 124.212 121.223 0.172 0.000 2.380 421 L HA 0.091 4.430 4.340 -0.000 0.000 0.273 421 L C 1.635 178.770 176.870 0.440 0.000 1.138 421 L CA 0.116 55.092 54.840 0.227 0.000 0.832 421 L CB 0.316 42.460 42.059 0.141 0.000 1.124 421 L HN 0.432 nan 8.230 nan 0.000 0.454 422 T N 0.995 115.760 114.554 0.352 0.000 2.937 422 T HA 0.135 4.485 4.350 -0.000 0.000 0.260 422 T C 0.618 175.402 174.700 0.141 0.000 1.051 422 T CA 0.778 63.035 62.100 0.262 0.000 1.141 422 T CB 0.256 69.273 68.868 0.248 0.000 0.879 422 T HN 0.818 nan 8.240 nan 0.000 0.459 423 G N 0.402 109.278 108.800 0.127 0.000 2.667 423 G HA2 0.539 4.499 3.960 -0.000 0.000 0.294 423 G HA3 0.539 4.499 3.960 -0.000 0.000 0.294 423 G C -1.915 173.035 174.900 0.083 0.000 1.467 423 G CA -0.955 44.201 45.100 0.095 0.000 0.852 423 G HN 0.048 nan 8.290 nan 0.000 0.521 424 K N 0.943 121.386 120.400 0.072 0.000 2.156 424 K HA 0.407 4.727 4.320 -0.000 0.000 0.271 424 K C 0.031 176.675 176.600 0.074 0.000 0.995 424 K CA -0.467 55.860 56.287 0.066 0.000 0.890 424 K CB 1.330 33.858 32.500 0.047 0.000 1.073 424 K HN 0.645 nan 8.250 nan 0.000 0.454 425 Q N 0.226 120.073 119.800 0.079 0.000 2.439 425 Q HA -0.249 4.091 4.340 -0.000 0.000 0.325 425 Q C 0.450 176.494 176.000 0.073 0.000 1.372 425 Q CA 0.565 56.418 55.803 0.084 0.000 0.909 425 Q CB -1.979 26.803 28.738 0.073 0.000 1.167 425 Q HN 0.918 nan 8.270 nan 0.000 0.418 426 C N -4.965 114.377 119.300 0.071 0.000 3.364 426 C HA 0.449 4.908 4.460 -0.000 0.000 0.340 426 C C 0.925 175.952 174.990 0.061 0.000 1.336 426 C CA -0.314 58.744 59.018 0.067 0.000 1.778 426 C CB -0.025 27.759 27.740 0.073 0.000 2.398 426 C HN 0.286 nan 8.230 nan 0.000 0.667 427 V N 3.681 123.629 119.914 0.056 0.000 2.498 427 V HA 0.243 4.363 4.120 -0.000 0.000 0.279 427 V C 0.384 176.506 176.094 0.047 0.000 1.048 427 V CA 0.511 62.839 62.300 0.048 0.000 0.967 427 V CB 0.990 32.833 31.823 0.033 0.000 0.988 427 V HN 0.470 nan 8.190 nan 0.000 0.473 428 N N 2.791 121.519 118.700 0.047 0.000 2.415 428 N HA 0.179 4.919 4.740 -0.000 0.000 0.174 428 N C 0.551 176.090 175.510 0.048 0.000 1.048 428 N CA 0.073 53.152 53.050 0.048 0.000 0.895 428 N CB 0.449 38.964 38.487 0.047 0.000 1.036 428 N HN 0.616 nan 8.380 nan 0.000 0.449 429 R N 0.484 121.011 120.500 0.045 0.000 2.604 429 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 429 R C -2.025 174.305 176.300 0.050 0.000 1.052 429 R CA -0.478 55.652 56.100 0.051 0.000 0.902 429 R CB 1.244 31.565 30.300 0.034 0.000 1.233 429 R HN -0.077 nan 8.270 nan 0.000 0.455 430 I N 5.287 125.907 120.570 0.083 0.000 2.436 430 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 430 I C -0.444 175.720 176.117 0.078 0.000 1.010 430 I CA -0.772 60.576 61.300 0.081 0.000 1.098 430 I CB 2.042 40.107 38.000 0.108 0.000 1.266 430 I HN 0.439 nan 8.210 nan 0.000 0.434 431 I N 5.592 126.178 120.570 0.027 0.000 2.382 431 I HA 0.384 4.554 4.170 -0.000 0.000 0.286 431 I C 0.351 176.469 176.117 0.001 0.000 1.002 431 I CA -0.239 61.061 61.300 -0.000 0.000 1.135 431 I CB 1.877 39.855 38.000 -0.036 0.000 1.288 431 I HN 0.643 nan 8.210 nan 0.000 0.448 432 T N 1.047 115.613 114.554 0.021 0.000 2.807 432 T HA 0.283 4.632 4.350 -0.000 0.000 0.277 432 T C 0.857 175.550 174.700 -0.012 0.000 1.006 432 T CA -0.595 61.527 62.100 0.037 0.000 1.006 432 T CB 1.729 70.693 68.868 0.160 0.000 1.274 432 T HN 0.638 nan 8.240 nan 0.000 0.569 433 E N 0.334 120.505 120.200 -0.049 0.000 2.427 433 E HA -0.011 4.338 4.350 -0.000 0.000 0.196 433 E C 1.147 177.614 176.600 -0.223 0.000 1.028 433 E CA 0.743 57.020 56.400 -0.206 0.000 0.864 433 E CB -0.052 29.495 29.700 -0.255 0.000 0.813 433 E HN 0.752 nan 8.360 nan 0.000 0.514 434 K N 0.057 120.420 120.400 -0.062 0.000 2.365 434 K HA 0.355 4.675 4.320 -0.000 0.000 0.195 434 K C 0.560 177.159 176.600 -0.000 0.000 1.079 434 K CA 0.646 56.910 56.287 -0.038 0.000 0.979 434 K CB 1.096 33.478 32.500 -0.196 0.000 0.929 434 K HN 0.122 nan 8.250 nan 0.000 0.523 435 A N 0.862 123.674 122.820 -0.014 0.000 2.572 435 A HA 0.577 4.897 4.320 -0.000 0.000 0.295 435 A C -1.344 176.119 177.584 -0.202 0.000 1.072 435 A CA -0.630 51.288 52.037 -0.198 0.000 0.691 435 A CB 1.765 20.525 19.000 -0.400 0.000 1.291 435 A HN -0.095 nan 8.150 nan 0.000 0.404 436 V N 1.361 121.096 119.914 -0.298 0.000 2.448 436 V HA 0.585 4.705 4.120 -0.000 0.000 0.295 436 V C -1.165 174.723 176.094 -0.342 0.000 1.025 436 V CA -0.206 61.969 62.300 -0.209 0.000 0.859 436 V CB 0.890 32.653 31.823 -0.100 0.000 0.988 436 V HN 0.673 nan 8.190 nan 0.000 0.431 437 F N 1.809 121.725 119.950 -0.057 0.000 2.482 437 F HA 0.508 5.034 4.527 -0.000 0.000 0.331 437 F C 0.446 176.225 175.800 -0.034 0.000 1.115 437 F CA -0.776 57.187 58.000 -0.062 0.000 0.955 437 F CB 1.466 40.406 39.000 -0.101 0.000 1.136 437 F HN 0.401 nan 8.300 nan 0.000 0.452 438 D N 1.982 122.488 120.400 0.176 0.000 2.341 438 D HA 0.425 5.065 4.640 -0.000 0.000 0.245 438 D C -0.559 175.809 176.300 0.113 0.000 1.106 438 D CA 0.159 54.230 54.000 0.118 0.000 0.905 438 D CB 1.798 42.650 40.800 0.086 0.000 1.202 438 D HN 0.099 nan 8.370 nan 0.000 0.426 439 V N 2.038 121.997 119.914 0.075 0.000 2.588 439 V HA 0.338 4.457 4.120 -0.000 0.000 0.304 439 V C -0.223 175.912 176.094 0.069 0.000 1.042 439 V CA -0.801 61.529 62.300 0.050 0.000 0.877 439 V CB 2.233 34.070 31.823 0.025 0.000 0.996 439 V HN 0.473 nan 8.190 nan 0.000 0.425 440 D N 3.383 123.837 120.400 0.089 0.000 2.787 440 D HA 0.282 4.922 4.640 -0.000 0.000 0.246 440 D C 0.995 177.404 176.300 0.183 0.000 1.150 440 D CA -0.653 53.415 54.000 0.113 0.000 0.864 440 D CB 2.295 43.158 40.800 0.104 0.000 1.481 440 D HN 0.672 nan 8.370 nan 0.000 0.509 441 R N 2.523 123.110 120.500 0.144 0.000 2.241 441 R HA -0.068 4.272 4.340 -0.000 0.000 0.224 441 R C 0.580 176.931 176.300 0.085 0.000 1.101 441 R CA 0.802 56.990 56.100 0.148 0.000 0.995 441 R CB 0.168 30.510 30.300 0.070 0.000 0.870 441 R HN 0.141 nan 8.270 nan 0.000 0.463 442 K N 0.742 121.198 120.400 0.094 0.000 2.329 442 K HA 0.146 4.466 4.320 -0.000 0.000 0.198 442 K C 1.502 178.208 176.600 0.176 0.000 1.085 442 K CA 0.685 56.977 56.287 0.009 0.000 0.961 442 K CB 0.386 32.886 32.500 0.001 0.000 0.971 442 K HN 0.172 nan 8.250 nan 0.000 0.502 443 K N 0.421 120.957 120.400 0.226 0.000 2.356 443 K HA 0.121 4.441 4.320 -0.000 0.000 0.195 443 K C 0.799 177.533 176.600 0.224 0.000 1.037 443 K CA 0.555 56.970 56.287 0.213 0.000 1.014 443 K CB 0.692 33.266 32.500 0.123 0.000 0.815 443 K HN 0.259 nan 8.250 nan 0.000 0.507 444 G N 1.669 110.605 108.800 0.227 0.000 2.488 444 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.237 444 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.237 444 G C -0.713 174.164 174.900 -0.038 0.000 1.209 444 G CA -0.745 44.294 45.100 -0.102 0.000 0.929 444 G HN 0.076 nan 8.290 nan 0.000 0.578 445 L N 0.852 122.034 121.223 -0.070 0.000 2.325 445 L HA 0.644 4.984 4.340 -0.000 0.000 0.279 445 L C 0.134 177.112 176.870 0.180 0.000 1.054 445 L CA -0.527 54.313 54.840 -0.000 0.000 0.804 445 L CB 1.871 43.813 42.059 -0.195 0.000 1.200 445 L HN 0.617 nan 8.230 nan 0.000 0.436 446 T N 3.527 118.229 114.554 0.247 0.000 2.847 446 T HA 0.315 4.665 4.350 -0.000 0.000 0.291 446 T C -0.481 174.393 174.700 0.289 0.000 0.998 446 T CA -0.453 61.803 62.100 0.261 0.000 0.967 446 T CB 1.486 70.446 68.868 0.154 0.000 0.954 446 T HN 0.246 nan 8.240 nan 0.000 0.441 447 L N 5.810 127.197 121.223 0.274 0.000 2.418 447 L HA 0.397 4.737 4.340 -0.000 0.000 0.274 447 L C 0.892 177.735 176.870 -0.045 0.000 1.135 447 L CA 0.302 55.099 54.840 -0.071 0.000 0.870 447 L CB -0.117 41.880 42.059 -0.104 0.000 1.154 447 L HN 0.787 nan 8.230 nan 0.000 0.462 448 I N 0.054 120.560 120.570 -0.107 0.000 4.139 448 I HA 0.431 4.601 4.170 -0.000 0.000 0.320 448 I C -0.021 176.053 176.117 -0.073 0.000 1.290 448 I CA -0.138 61.131 61.300 -0.051 0.000 1.253 448 I CB 0.242 38.230 38.000 -0.020 0.000 1.122 448 I HN 0.503 nan 8.210 nan 0.000 0.421 449 E N 1.571 121.698 120.200 -0.123 0.000 2.383 449 E HA 0.642 4.991 4.350 -0.000 0.000 0.275 449 E C -1.865 174.661 176.600 -0.122 0.000 0.918 449 E CA -0.868 55.475 56.400 -0.096 0.000 0.764 449 E CB 3.360 33.021 29.700 -0.065 0.000 1.252 449 E HN 0.051 nan 8.360 nan 0.000 0.449 450 L N 1.701 122.882 121.223 -0.069 0.000 2.436 450 L HA 0.374 4.714 4.340 -0.000 0.000 0.268 450 L C -1.322 175.565 176.870 0.027 0.000 0.974 450 L CA -0.429 54.386 54.840 -0.041 0.000 0.826 450 L CB 1.505 43.534 42.059 -0.049 0.000 1.291 450 L HN 0.704 nan 8.230 nan 0.000 0.406 451 W N 4.371 125.613 121.300 -0.097 0.000 2.295 451 W HA 0.073 4.733 4.660 -0.000 0.000 0.335 451 W C 0.357 176.841 176.519 -0.058 0.000 1.351 451 W CA -0.107 57.194 57.345 -0.073 0.000 1.273 451 W CB 0.776 30.194 29.460 -0.069 0.000 1.214 451 W HN 0.800 nan 8.180 nan 0.000 0.563 452 E N 3.633 123.347 120.200 -0.811 0.000 2.694 452 E HA 0.146 4.496 4.350 -0.000 0.000 0.250 452 E C 0.957 177.319 176.600 -0.398 0.000 0.963 452 E CA 1.875 57.917 56.400 -0.597 0.000 0.949 452 E CB -0.073 29.205 29.700 -0.702 0.000 0.911 452 E HN 0.688 nan 8.360 nan 0.000 0.500 453 G N 3.396 112.093 108.800 -0.171 0.000 2.175 453 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 453 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 453 G C 0.070 174.979 174.900 0.015 0.000 0.982 453 G CA 0.157 45.222 45.100 -0.058 0.000 0.641 453 G HN 0.443 nan 8.290 nan 0.000 0.527 454 L N 0.925 122.167 121.223 0.032 0.000 2.365 454 L HA 0.780 5.119 4.340 -0.000 0.000 0.267 454 L C 1.137 178.018 176.870 0.019 0.000 1.033 454 L CA -0.307 54.562 54.840 0.048 0.000 0.802 454 L CB 1.718 43.823 42.059 0.078 0.000 1.267 454 L HN 0.353 nan 8.230 nan 0.000 0.457 455 T N -2.805 111.763 114.554 0.024 0.000 2.950 455 T HA 0.338 4.688 4.350 -0.000 0.000 0.288 455 T C 0.981 175.710 174.700 0.048 0.000 1.035 455 T CA -0.805 61.311 62.100 0.027 0.000 1.028 455 T CB 1.744 70.629 68.868 0.028 0.000 1.109 455 T HN 0.190 nan 8.240 nan 0.000 0.514 456 V N 1.060 121.014 119.914 0.067 0.000 2.332 456 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 456 V C 2.526 178.715 176.094 0.158 0.000 1.055 456 V CA 2.487 64.868 62.300 0.135 0.000 1.038 456 V CB -1.006 30.898 31.823 0.135 0.000 0.651 456 V HN 1.084 nan 8.190 nan 0.000 0.450 457 D N -0.165 120.291 120.400 0.093 0.000 2.178 457 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 457 D C 1.789 178.143 176.300 0.089 0.000 0.980 457 D CA 1.164 55.215 54.000 0.085 0.000 0.842 457 D CB -0.128 40.701 40.800 0.049 0.000 0.948 457 D HN 0.423 nan 8.370 nan 0.000 0.472 458 D N -0.155 120.284 120.400 0.064 0.000 2.117 458 D HA -0.136 4.503 4.640 -0.000 0.000 0.197 458 D C 2.051 178.367 176.300 0.026 0.000 0.987 458 D CA 0.600 54.622 54.000 0.036 0.000 0.829 458 D CB -0.034 40.774 40.800 0.014 0.000 0.961 458 D HN 0.310 nan 8.370 nan 0.000 0.460 459 I N 1.171 121.773 120.570 0.053 0.000 2.252 459 I HA -0.168 4.001 4.170 -0.000 0.000 0.245 459 I C 2.240 178.499 176.117 0.237 0.000 1.102 459 I CA 0.883 62.213 61.300 0.050 0.000 1.385 459 I CB -0.912 37.096 38.000 0.014 0.000 1.064 459 I HN -0.019 nan 8.210 nan 0.000 0.414 460 K N 1.071 121.689 120.400 0.363 0.000 2.044 460 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 460 K C 2.011 178.728 176.600 0.196 0.000 1.049 460 K CA 1.500 57.989 56.287 0.336 0.000 0.927 460 K CB -0.108 32.494 32.500 0.169 0.000 0.713 460 K HN 0.307 nan 8.250 nan 0.000 0.443 461 K N -0.134 120.355 120.400 0.149 0.000 2.362 461 K HA -0.016 4.304 4.320 -0.000 0.000 0.200 461 K C 1.277 178.008 176.600 0.218 0.000 1.046 461 K CA 0.786 57.161 56.287 0.146 0.000 0.952 461 K CB 0.202 32.761 32.500 0.099 0.000 0.753 461 K HN -0.061 nan 8.250 nan 0.000 0.466 462 S N 0.312 116.123 115.700 0.185 0.000 2.593 462 S HA 0.096 4.566 4.470 -0.000 0.000 0.236 462 S C -0.418 174.362 174.600 0.301 0.000 0.991 462 S CA -0.193 58.160 58.200 0.255 0.000 0.963 462 S CB 0.901 64.132 63.200 0.052 0.000 0.865 462 S HN 0.092 nan 8.310 nan 0.000 0.488 463 T N 0.492 115.063 114.554 0.029 0.000 2.928 463 T HA 0.444 4.793 4.350 -0.000 0.000 0.296 463 T C 0.616 174.999 174.700 -0.528 0.000 1.000 463 T CA -0.674 61.346 62.100 -0.133 0.000 0.989 463 T CB 1.711 70.655 68.868 0.128 0.000 1.005 463 T HN 0.111 nan 8.240 nan 0.000 0.442 464 G N 1.099 109.492 108.800 -0.678 0.000 3.518 464 G HA2 0.442 4.402 3.960 -0.000 0.000 0.273 464 G HA3 0.442 4.402 3.960 -0.000 0.000 0.273 464 G C 0.471 175.266 174.900 -0.175 0.000 1.199 464 G CA -0.258 44.526 45.100 -0.528 0.000 0.899 464 G HN 1.036 nan 8.290 nan 0.000 0.533 465 C N -2.156 117.072 119.300 -0.121 0.000 3.318 465 C HA 0.642 5.102 4.460 -0.000 0.000 0.322 465 C C -0.818 174.182 174.990 0.016 0.000 1.398 465 C CA -1.392 57.587 59.018 -0.065 0.000 1.339 465 C CB 1.417 29.088 27.740 -0.115 0.000 1.668 465 C HN 0.111 nan 8.230 nan 0.000 0.462 466 D N 0.753 121.139 120.400 -0.022 0.000 2.357 466 D HA 0.668 5.308 4.640 -0.000 0.000 0.242 466 D C -0.447 175.891 176.300 0.063 0.000 1.153 466 D CA 0.491 54.457 54.000 -0.058 0.000 0.918 466 D CB 0.708 41.452 40.800 -0.092 0.000 1.181 466 D HN 0.700 nan 8.370 nan 0.000 0.435 467 F N -1.874 118.064 119.950 -0.020 0.000 2.641 467 F HA 0.674 5.201 4.527 -0.000 0.000 0.308 467 F C -0.673 175.159 175.800 0.053 0.000 1.105 467 F CA -1.505 56.506 58.000 0.018 0.000 0.964 467 F CB 0.683 39.751 39.000 0.113 0.000 1.294 467 F HN 0.289 nan 8.300 nan 0.000 0.442 468 A N 1.478 124.436 122.820 0.229 0.000 2.332 468 A HA 0.714 5.034 4.320 -0.000 0.000 0.258 468 A C -0.803 176.954 177.584 0.288 0.000 1.087 468 A CA -0.571 51.563 52.037 0.161 0.000 0.802 468 A CB 0.752 19.826 19.000 0.123 0.000 1.042 468 A HN 0.834 nan 8.150 nan 0.000 0.489 469 V N 1.330 121.351 119.914 0.179 0.000 2.540 469 V HA 0.402 4.522 4.120 -0.000 0.000 0.302 469 V C 0.615 176.769 176.094 0.099 0.000 1.035 469 V CA -0.555 61.850 62.300 0.176 0.000 0.873 469 V CB 1.539 33.450 31.823 0.147 0.000 0.992 469 V HN 0.985 nan 8.190 nan 0.000 0.428 470 S N 5.230 120.979 115.700 0.081 0.000 2.549 470 S HA 0.215 4.684 4.470 -0.000 0.000 0.283 470 S C -1.209 173.412 174.600 0.035 0.000 1.320 470 S CA -0.773 57.458 58.200 0.052 0.000 1.058 470 S CB 1.067 64.288 63.200 0.036 0.000 0.882 470 S HN 0.644 nan 8.310 nan 0.000 0.498 471 P HA -0.059 nan 4.420 nan 0.000 0.219 471 P C 0.140 177.447 177.300 0.011 0.000 1.146 471 P CA 1.251 64.362 63.100 0.018 0.000 0.808 471 P CB 0.081 31.791 31.700 0.016 0.000 0.779 472 K N -0.690 119.716 120.400 0.010 0.000 2.520 472 K HA 0.120 4.440 4.320 -0.000 0.000 0.205 472 K C 0.239 176.836 176.600 -0.005 0.000 1.035 472 K CA -0.559 55.729 56.287 0.002 0.000 1.188 472 K CB -0.407 32.095 32.500 0.003 0.000 0.894 472 K HN 0.071 nan 8.250 nan 0.000 0.497 473 L N 2.623 123.844 121.223 -0.002 0.000 2.559 473 L HA 0.055 4.395 4.340 -0.000 0.000 0.274 473 L C -0.183 176.672 176.870 -0.025 0.000 1.205 473 L CA 0.606 55.439 54.840 -0.013 0.000 0.907 473 L CB -0.018 42.040 42.059 -0.002 0.000 1.153 473 L HN 0.198 nan 8.230 nan 0.000 0.490 474 I N 2.585 123.133 120.570 -0.037 0.000 3.042 474 I HA 0.701 4.871 4.170 -0.000 0.000 0.310 474 I C -2.584 173.494 176.117 -0.065 0.000 1.117 474 I CA -2.765 58.507 61.300 -0.048 0.000 1.003 474 I CB 1.827 39.801 38.000 -0.043 0.000 1.228 474 I HN 0.364 nan 8.210 nan 0.000 0.443 475 P HA 0.118 nan 4.420 nan 0.000 0.269 475 P C -0.474 176.766 177.300 -0.099 0.000 1.209 475 P CA -0.200 62.825 63.100 -0.125 0.000 0.776 475 P CB 0.459 32.053 31.700 -0.176 0.000 0.876 476 M N 2.751 122.306 119.600 -0.076 0.000 2.252 476 M HA -0.033 4.447 4.480 -0.000 0.000 0.348 476 M C 0.193 176.489 176.300 -0.007 0.000 1.334 476 M CA 0.627 55.936 55.300 0.014 0.000 1.071 476 M CB 0.045 32.764 32.600 0.200 0.000 1.763 476 M HN 0.353 nan 8.290 nan 0.000 0.452 477 Q N 3.450 123.250 119.800 0.001 0.000 2.368 477 Q HA 0.258 4.597 4.340 -0.000 0.000 0.237 477 Q C -0.963 175.055 176.000 0.031 0.000 0.987 477 Q CA -0.346 55.453 55.803 -0.006 0.000 0.896 477 Q CB 1.000 29.728 28.738 -0.017 0.000 1.241 477 Q HN 0.554 nan 8.270 nan 0.000 0.485 478 Q N 0.906 120.720 119.800 0.024 0.000 2.305 478 Q HA 0.298 4.637 4.340 -0.000 0.000 0.271 478 Q C -1.075 174.939 176.000 0.023 0.000 1.046 478 Q CA -0.562 55.265 55.803 0.039 0.000 0.798 478 Q CB 2.563 31.354 28.738 0.088 0.000 1.286 478 Q HN 0.488 nan 8.270 nan 0.000 0.435 479 V N 2.593 122.517 119.914 0.016 0.000 2.763 479 V HA 0.074 4.194 4.120 -0.000 0.000 0.306 479 V C 0.133 176.270 176.094 0.072 0.000 1.059 479 V CA 0.894 63.220 62.300 0.044 0.000 1.138 479 V CB 1.072 32.934 31.823 0.066 0.000 0.940 479 V HN 0.832 nan 8.190 nan 0.000 0.489 480 T N 0.000 114.593 114.554 0.065 0.000 3.816 480 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 480 T CA 0.000 62.140 62.100 0.067 0.000 1.349 480 T CB 0.000 68.892 68.868 0.040 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658