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 1m3e_1_D DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RXISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPXCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKEED DATA SEQUENCE XXXXXXXXXD NVRERIIKRA ALEFEDGXYA NLGIGIPLLA SNFISPNXTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAXI DATA SEQUENCE RGGHVNLTXL GAXQVSKYGD LANWXIPGKL VKGXGGAXDL VSSAKTKVVV DATA SEQUENCE TXEHSAKGNA HKIXEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPXQQVT T 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 0.000 174.829 174.700 0.214 0.000 1.109 1 T CA 0.000 62.185 62.100 0.141 0.000 1.349 1 T CB 0.000 68.898 68.868 0.050 0.000 0.612 2 K N 2.819 123.326 120.400 0.179 0.000 2.234 2 K HA 0.607 4.927 4.320 -0.000 0.000 0.277 2 K C -1.012 175.712 176.600 0.207 0.000 1.038 2 K CA -0.577 55.836 56.287 0.210 0.000 0.888 2 K CB 0.441 33.039 32.500 0.164 0.000 1.091 2 K HN 0.349 nan 8.250 nan 0.000 0.467 3 F N 3.631 123.593 119.950 0.020 0.000 2.385 3 F HA 0.318 4.845 4.527 -0.000 0.000 0.336 3 F C -0.218 175.556 175.800 -0.042 0.000 1.100 3 F CA -0.167 57.882 58.000 0.082 0.000 1.116 3 F CB 0.596 39.619 39.000 0.039 0.000 1.166 3 F HN 0.411 nan 8.300 nan 0.000 0.511 4 Y N 0.020 120.423 120.300 0.170 0.000 2.598 4 Y HA 0.386 4.936 4.550 -0.000 0.000 0.340 4 Y C 0.986 176.952 175.900 0.111 0.000 1.038 4 Y CA -0.890 57.280 58.100 0.117 0.000 1.100 4 Y CB 1.816 40.319 38.460 0.072 0.000 1.281 4 Y HN 0.507 nan 8.280 nan 0.000 0.488 5 T N -0.978 113.716 114.554 0.234 0.000 3.000 5 T HA 0.018 4.368 4.350 -0.000 0.000 0.248 5 T C -0.414 174.366 174.700 0.133 0.000 1.034 5 T CA 0.411 62.602 62.100 0.152 0.000 1.060 5 T CB 0.127 69.054 68.868 0.098 0.000 0.983 5 T HN 0.500 nan 8.240 nan 0.000 0.482 6 D N 0.492 120.987 120.400 0.159 0.000 2.308 6 D HA 0.538 5.178 4.640 -0.000 0.000 0.242 6 D C 0.880 177.230 176.300 0.084 0.000 1.059 6 D CA -0.288 53.775 54.000 0.105 0.000 0.830 6 D CB 2.072 42.928 40.800 0.094 0.000 1.161 6 D HN 0.097 nan 8.370 nan 0.000 0.494 7 A N 3.484 126.320 122.820 0.026 0.000 1.902 7 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 7 A C 2.192 179.744 177.584 -0.053 0.000 1.181 7 A CA 1.250 53.272 52.037 -0.025 0.000 0.623 7 A CB -0.499 18.482 19.000 -0.033 0.000 0.818 7 A HN 0.512 nan 8.150 nan 0.000 0.443 8 V N 0.230 120.128 119.914 -0.027 0.000 2.287 8 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 8 V C 2.543 178.621 176.094 -0.026 0.000 1.053 8 V CA 2.355 64.635 62.300 -0.034 0.000 1.027 8 V CB -0.767 31.048 31.823 -0.014 0.000 0.646 8 V HN 0.774 nan 8.190 nan 0.000 0.447 9 E N 0.214 120.432 120.200 0.030 0.000 2.130 9 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 9 E C 2.171 178.782 176.600 0.018 0.000 0.998 9 E CA 1.583 58.045 56.400 0.102 0.000 0.806 9 E CB -0.176 29.668 29.700 0.240 0.000 0.738 9 E HN 0.592 nan 8.360 nan 0.000 0.459 10 A N 0.476 123.163 122.820 -0.221 0.000 1.968 10 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 10 A C 2.116 179.527 177.584 -0.290 0.000 1.169 10 A CA 1.419 53.084 52.037 -0.619 0.000 0.638 10 A CB -0.108 18.465 19.000 -0.712 0.000 0.812 10 A HN 0.306 nan 8.150 nan 0.000 0.446 11 V N -3.173 116.625 119.914 -0.194 0.000 3.528 11 V HA 0.215 4.335 4.120 -0.000 0.000 0.294 11 V C 1.639 177.603 176.094 -0.217 0.000 1.404 11 V CA 0.820 62.986 62.300 -0.223 0.000 1.065 11 V CB -0.438 31.262 31.823 -0.206 0.000 0.904 11 V HN 0.473 nan 8.190 nan 0.000 0.435 12 K N 2.665 122.993 120.400 -0.120 0.000 2.189 12 K HA -0.268 4.052 4.320 -0.000 0.000 0.207 12 K C 1.459 178.010 176.600 -0.081 0.000 1.046 12 K CA 2.417 58.660 56.287 -0.073 0.000 0.928 12 K CB -0.178 32.317 32.500 -0.008 0.000 0.720 12 K HN 0.797 nan 8.250 nan 0.000 0.458 13 D N 0.113 120.461 120.400 -0.087 0.000 2.368 13 D HA 0.009 4.649 4.640 -0.000 0.000 0.218 13 D C 0.372 176.587 176.300 -0.142 0.000 1.112 13 D CA -0.239 53.736 54.000 -0.041 0.000 0.834 13 D CB -0.264 40.592 40.800 0.093 0.000 0.953 13 D HN 0.217 nan 8.370 nan 0.000 0.505 14 I N 3.072 123.382 120.570 -0.433 0.000 2.587 14 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 14 I C -1.733 174.267 176.117 -0.195 0.000 1.134 14 I CA -1.278 59.665 61.300 -0.594 0.000 1.410 14 I CB 0.497 38.058 38.000 -0.730 0.000 1.392 14 I HN -0.141 nan 8.210 nan 0.000 0.545 15 P HA 0.131 nan 4.420 nan 0.000 0.276 15 P C -0.892 176.399 177.300 -0.015 0.000 1.244 15 P CA -0.597 62.501 63.100 -0.004 0.000 0.801 15 P CB 0.660 32.392 31.700 0.054 0.000 1.006 16 N N 0.214 118.907 118.700 -0.013 0.000 2.441 16 N HA 0.147 4.887 4.740 -0.000 0.000 0.251 16 N C 1.563 177.073 175.510 0.001 0.000 1.242 16 N CA 1.409 54.451 53.050 -0.013 0.000 0.898 16 N CB -0.319 38.161 38.487 -0.011 0.000 1.100 16 N HN 0.798 nan 8.380 nan 0.000 0.443 17 G N -0.581 108.218 108.800 -0.002 0.000 2.168 17 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 17 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 17 G C 0.320 175.232 174.900 0.021 0.000 0.977 17 G CA 0.508 45.612 45.100 0.006 0.000 0.659 17 G HN 0.913 nan 8.290 nan 0.000 0.533 18 A N -0.343 122.494 122.820 0.029 0.000 2.366 18 A HA 0.677 4.997 4.320 -0.000 0.000 0.249 18 A C 0.709 178.329 177.584 0.060 0.000 1.084 18 A CA 1.004 53.081 52.037 0.066 0.000 0.794 18 A CB 0.459 19.523 19.000 0.106 0.000 1.034 18 A HN 0.730 nan 8.150 nan 0.000 0.491 19 T N 1.610 116.212 114.554 0.080 0.000 2.733 19 T HA 0.481 4.831 4.350 -0.000 0.000 0.294 19 T C -0.461 174.297 174.700 0.096 0.000 0.956 19 T CA -0.113 62.025 62.100 0.063 0.000 0.987 19 T CB 0.453 69.351 68.868 0.049 0.000 0.920 19 T HN 0.408 nan 8.240 nan 0.000 0.470 20 V N 5.673 125.630 119.914 0.073 0.000 2.487 20 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 20 V C -0.077 176.051 176.094 0.057 0.000 1.028 20 V CA -0.968 61.386 62.300 0.091 0.000 0.860 20 V CB 1.608 33.465 31.823 0.056 0.000 0.991 20 V HN 0.743 nan 8.190 nan 0.000 0.427 21 L N 5.137 126.402 121.223 0.070 0.000 2.305 21 L HA 0.623 4.963 4.340 -0.000 0.000 0.281 21 L C -0.578 176.315 176.870 0.039 0.000 1.085 21 L CA -0.589 54.279 54.840 0.045 0.000 0.813 21 L CB 1.403 43.495 42.059 0.055 0.000 1.157 21 L HN 0.339 nan 8.230 nan 0.000 0.436 22 V N 2.442 122.362 119.914 0.010 0.000 2.409 22 V HA 0.421 4.541 4.120 -0.000 0.000 0.290 22 V C 0.758 176.856 176.094 0.006 0.000 1.017 22 V CA -0.585 61.718 62.300 0.006 0.000 0.841 22 V CB 1.359 33.170 31.823 -0.021 0.000 1.003 22 V HN 0.924 nan 8.190 nan 0.000 0.426 23 G N 2.657 111.486 108.800 0.048 0.000 2.683 23 G HA2 0.567 4.527 3.960 -0.000 0.000 0.260 23 G HA3 0.567 4.527 3.960 -0.000 0.000 0.260 23 G C 0.349 175.292 174.900 0.071 0.000 1.238 23 G CA 0.401 45.551 45.100 0.083 0.000 0.934 23 G HN 1.757 nan 8.290 nan 0.000 0.534 24 G N -2.197 106.679 108.800 0.127 0.000 2.770 24 G HA2 0.311 4.271 3.960 -0.000 0.000 0.686 24 G HA3 0.311 4.271 3.960 -0.000 0.000 0.686 24 G C -0.992 174.022 174.900 0.191 0.000 1.180 24 G CA -0.282 44.900 45.100 0.137 0.000 0.767 24 G HN 1.290 nan 8.290 nan 0.000 0.646 25 F N 3.332 123.329 119.950 0.079 0.000 2.427 25 F HA 0.626 5.153 4.527 -0.000 0.000 0.348 25 F C 1.182 177.021 175.800 0.065 0.000 1.125 25 F CA 1.324 59.379 58.000 0.092 0.000 0.989 25 F CB 1.207 40.281 39.000 0.124 0.000 1.165 25 F HN 2.167 nan 8.300 nan 0.000 0.442 26 G N 5.256 113.803 108.800 -0.422 0.000 2.602 26 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.310 26 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.310 26 G C 0.387 175.266 174.900 -0.035 0.000 1.183 26 G CA 0.483 45.438 45.100 -0.242 0.000 0.979 26 G HN 0.763 nan 8.290 nan 0.000 0.545 27 L N 0.298 121.552 121.223 0.052 0.000 2.959 27 L HA 0.345 4.685 4.340 -0.000 0.000 0.259 27 L C 1.059 178.019 176.870 0.150 0.000 1.185 27 L CA -0.388 54.536 54.840 0.139 0.000 0.998 27 L CB 0.872 43.035 42.059 0.173 0.000 1.337 27 L HN 0.549 nan 8.230 nan 0.000 0.555 28 C N 1.349 120.731 119.300 0.137 0.000 2.347 28 C HA 0.562 5.022 4.460 -0.000 0.000 0.353 28 C C 1.689 176.755 174.990 0.126 0.000 1.273 28 C CA 0.273 59.369 59.018 0.130 0.000 1.861 28 C CB -0.557 27.277 27.740 0.157 0.000 2.420 28 C HN 0.838 nan 8.230 nan 0.000 0.542 29 G N 6.146 115.003 108.800 0.096 0.000 2.295 29 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.287 29 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.287 29 G C -0.100 174.873 174.900 0.121 0.000 1.055 29 G CA 0.655 45.815 45.100 0.099 0.000 0.922 29 G HN 1.402 nan 8.290 nan 0.000 0.503 30 I N -2.114 118.534 120.570 0.129 0.000 2.488 30 I HA 0.664 4.834 4.170 -0.000 0.000 0.299 30 I C -1.924 174.259 176.117 0.111 0.000 0.984 30 I CA -3.146 58.211 61.300 0.095 0.000 1.250 30 I CB 1.953 39.985 38.000 0.054 0.000 1.389 30 I HN -0.066 nan 8.210 nan 0.000 0.488 31 P HA 0.123 nan 4.420 nan 0.000 0.231 31 P C 0.167 177.477 177.300 0.018 0.000 1.811 31 P CA -0.186 62.969 63.100 0.091 0.000 1.051 31 P CB 0.115 31.856 31.700 0.068 0.000 1.951 32 E N 1.469 121.685 120.200 0.026 0.000 2.110 32 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 32 E C 1.112 177.650 176.600 -0.104 0.000 0.988 32 E CA 0.886 57.218 56.400 -0.113 0.000 0.804 32 E CB -0.521 29.147 29.700 -0.053 0.000 0.745 32 E HN 0.281 nan 8.360 nan 0.000 0.458 33 N N 1.072 119.726 118.700 -0.076 0.000 2.171 33 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 33 N C 2.113 177.582 175.510 -0.069 0.000 1.021 33 N CA 0.993 53.981 53.050 -0.104 0.000 0.854 33 N CB -0.110 38.293 38.487 -0.140 0.000 0.994 33 N HN 0.244 nan 8.380 nan 0.000 0.426 34 L N 0.973 122.171 121.223 -0.042 0.000 2.141 34 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 34 L C 2.229 179.059 176.870 -0.068 0.000 1.094 34 L CA 0.707 55.519 54.840 -0.048 0.000 0.763 34 L CB -0.304 41.741 42.059 -0.024 0.000 0.908 34 L HN 0.096 nan 8.230 nan 0.000 0.437 35 I N -0.186 120.337 120.570 -0.079 0.000 2.315 35 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 35 I C 2.602 178.661 176.117 -0.097 0.000 1.117 35 I CA 1.272 62.513 61.300 -0.098 0.000 1.404 35 I CB -0.701 37.215 38.000 -0.140 0.000 1.071 35 I HN 0.247 nan 8.210 nan 0.000 0.419 36 G N 0.546 109.287 108.800 -0.098 0.000 2.422 36 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 36 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 36 G C 1.851 176.713 174.900 -0.063 0.000 1.146 36 G CA 0.774 45.828 45.100 -0.078 0.000 0.769 36 G HN 0.480 nan 8.290 nan 0.000 0.547 37 A N 0.549 123.329 122.820 -0.066 0.000 1.972 37 A HA 0.143 4.463 4.320 -0.000 0.000 0.219 37 A C 2.345 179.887 177.584 -0.069 0.000 1.169 37 A CA 0.965 52.965 52.037 -0.063 0.000 0.635 37 A CB -0.295 18.665 19.000 -0.068 0.000 0.810 37 A HN 0.355 nan 8.150 nan 0.000 0.446 38 L N -0.693 120.483 121.223 -0.078 0.000 2.291 38 L HA -0.097 4.243 4.340 -0.000 0.000 0.214 38 L C 2.363 179.194 176.870 -0.065 0.000 1.120 38 L CA 0.554 55.344 54.840 -0.082 0.000 0.799 38 L CB -0.492 41.515 42.059 -0.087 0.000 0.925 38 L HN 0.397 nan 8.230 nan 0.000 0.446 39 L N -0.248 120.941 121.223 -0.057 0.000 2.056 39 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 39 L C 2.598 179.446 176.870 -0.037 0.000 1.078 39 L CA 1.396 56.210 54.840 -0.044 0.000 0.749 39 L CB -0.344 41.692 42.059 -0.039 0.000 0.901 39 L HN 0.221 nan 8.230 nan 0.000 0.433 40 K N -0.934 119.443 120.400 -0.037 0.000 2.057 40 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 40 K C 2.124 178.704 176.600 -0.034 0.000 1.050 40 K CA 1.545 57.814 56.287 -0.030 0.000 0.935 40 K CB -0.298 32.185 32.500 -0.027 0.000 0.715 40 K HN 0.133 nan 8.250 nan 0.000 0.439 41 T N -0.364 114.163 114.554 -0.046 0.000 2.720 41 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 41 T C 1.307 175.979 174.700 -0.046 0.000 1.037 41 T CA 1.662 63.731 62.100 -0.052 0.000 1.144 41 T CB -0.441 68.380 68.868 -0.077 0.000 0.864 41 T HN 0.620 nan 8.240 nan 0.000 0.444 42 G N 0.451 109.223 108.800 -0.046 0.000 2.148 42 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 42 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 42 G C 0.420 175.294 174.900 -0.043 0.000 0.981 42 G CA 0.402 45.479 45.100 -0.039 0.000 0.670 42 G HN 0.765 nan 8.290 nan 0.000 0.528 43 V N 0.640 120.520 119.914 -0.057 0.000 2.720 43 V HA 0.436 4.556 4.120 -0.000 0.000 0.307 43 V C 0.552 176.617 176.094 -0.048 0.000 1.071 43 V CA 0.415 62.679 62.300 -0.060 0.000 1.199 43 V CB 0.775 32.544 31.823 -0.090 0.000 0.900 43 V HN 0.346 nan 8.190 nan 0.000 0.494 44 K N 4.016 124.394 120.400 -0.037 0.000 2.346 44 K HA 0.469 4.789 4.320 -0.000 0.000 0.238 44 K C 0.206 176.791 176.600 -0.024 0.000 1.039 44 K CA -0.738 55.532 56.287 -0.029 0.000 0.861 44 K CB 1.054 33.540 32.500 -0.023 0.000 1.278 44 K HN 0.729 nan 8.250 nan 0.000 0.460 45 E N 0.814 121.001 120.200 -0.022 0.000 2.440 45 E HA -0.225 4.125 4.350 -0.000 0.000 0.246 45 E C -0.562 176.029 176.600 -0.015 0.000 1.165 45 E CA 0.234 56.623 56.400 -0.018 0.000 0.726 45 E CB -1.573 28.119 29.700 -0.013 0.000 1.271 45 E HN 0.305 nan 8.360 nan 0.000 0.397 46 L N 0.072 121.284 121.223 -0.019 0.000 2.436 46 L HA 0.230 4.570 4.340 -0.000 0.000 0.265 46 L C 1.050 177.913 176.870 -0.011 0.000 1.168 46 L CA 0.198 55.029 54.840 -0.014 0.000 0.815 46 L CB 0.981 43.028 42.059 -0.021 0.000 1.109 46 L HN -0.005 nan 8.230 nan 0.000 0.462 47 T N 2.125 116.678 114.554 -0.002 0.000 3.042 47 T HA 0.557 4.907 4.350 -0.000 0.000 0.356 47 T C -0.190 174.509 174.700 -0.001 0.000 1.233 47 T CA -0.607 61.490 62.100 -0.005 0.000 1.038 47 T CB 0.216 69.083 68.868 -0.001 0.000 1.089 47 T HN 0.643 nan 8.240 nan 0.000 0.531 48 A N 4.474 127.289 122.820 -0.009 0.000 2.302 48 A HA 0.571 4.891 4.320 -0.000 0.000 0.295 48 A C 0.512 178.083 177.584 -0.023 0.000 1.235 48 A CA -0.648 51.382 52.037 -0.011 0.000 0.876 48 A CB 0.157 19.147 19.000 -0.016 0.000 1.133 48 A HN 1.130 nan 8.150 nan 0.000 0.533 49 V N 3.036 122.937 119.914 -0.022 0.000 2.348 49 V HA 0.723 4.843 4.120 -0.000 0.000 0.270 49 V C -0.126 175.919 176.094 -0.081 0.000 1.037 49 V CA 0.434 62.708 62.300 -0.044 0.000 0.872 49 V CB 0.606 32.417 31.823 -0.019 0.000 1.002 49 V HN 1.011 nan 8.190 nan 0.000 0.464 50 S N 4.028 119.647 115.700 -0.135 0.000 2.541 50 S HA 0.390 4.860 4.470 -0.000 0.000 0.271 50 S C 0.534 174.946 174.600 -0.313 0.000 1.133 50 S CA -0.295 57.783 58.200 -0.203 0.000 0.876 50 S CB 1.984 65.103 63.200 -0.134 0.000 1.105 50 S HN 0.975 nan 8.310 nan 0.000 0.470 51 N N 3.292 121.689 118.700 -0.506 0.000 2.120 51 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 51 N C 0.128 175.464 175.510 -0.290 0.000 1.024 51 N CA 1.753 54.480 53.050 -0.539 0.000 0.852 51 N CB -0.085 37.987 38.487 -0.692 0.000 1.003 51 N HN 0.715 nan 8.380 nan 0.000 0.424 52 N N -2.372 116.172 118.700 -0.259 0.000 2.629 52 N HA 0.559 5.299 4.740 -0.000 0.000 0.279 52 N C -1.196 174.175 175.510 -0.232 0.000 1.344 52 N CA -0.440 52.464 53.050 -0.243 0.000 0.789 52 N CB 1.548 39.900 38.487 -0.226 0.000 1.508 52 N HN 0.037 nan 8.380 nan 0.000 0.516 53 A N 0.268 122.913 122.820 -0.292 0.000 2.577 53 A HA 0.588 4.908 4.320 -0.000 0.000 0.280 53 A C 1.162 178.676 177.584 -0.117 0.000 1.331 53 A CA 0.307 52.215 52.037 -0.215 0.000 0.935 53 A CB -1.381 17.385 19.000 -0.390 0.000 1.082 53 A HN 0.924 nan 8.150 nan 0.000 0.525 54 G N -0.680 108.059 108.800 -0.102 0.000 2.652 54 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.318 54 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.318 54 G C 0.352 175.248 174.900 -0.007 0.000 1.295 54 G CA 0.471 45.552 45.100 -0.031 0.000 0.999 54 G HN 1.191 nan 8.290 nan 0.000 0.548 55 V N 0.561 120.509 119.914 0.057 0.000 3.126 55 V HA 0.458 4.578 4.120 -0.000 0.000 0.314 55 V C 1.145 177.286 176.094 0.079 0.000 1.138 55 V CA 0.369 62.709 62.300 0.066 0.000 1.034 55 V CB 1.780 33.660 31.823 0.096 0.000 1.075 55 V HN 0.819 nan 8.190 nan 0.000 0.442 56 D N 1.227 121.669 120.400 0.071 0.000 2.126 56 D HA -0.205 4.435 4.640 -0.000 0.000 0.190 56 D C 1.269 177.618 176.300 0.082 0.000 1.001 56 D CA 2.214 56.257 54.000 0.072 0.000 0.841 56 D CB 0.114 40.949 40.800 0.059 0.000 0.949 56 D HN 0.665 nan 8.370 nan 0.000 0.446 57 N N -1.414 117.348 118.700 0.104 0.000 2.270 57 N HA 0.008 4.748 4.740 -0.000 0.000 0.198 57 N C -0.668 174.991 175.510 0.249 0.000 1.117 57 N CA -0.179 52.949 53.050 0.130 0.000 0.845 57 N CB 0.467 39.015 38.487 0.100 0.000 0.980 57 N HN -0.050 nan 8.380 nan 0.000 0.486 58 F N -1.028 118.927 119.950 0.009 0.000 2.719 58 F HA 0.448 4.975 4.527 -0.000 0.000 0.309 58 F C 0.414 176.219 175.800 0.007 0.000 1.138 58 F CA 0.593 58.599 58.000 0.009 0.000 0.943 58 F CB 0.953 39.960 39.000 0.012 0.000 1.304 58 F HN 0.074 nan 8.300 nan 0.000 0.445 59 G N 2.595 111.026 108.800 -0.615 0.000 2.512 59 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 59 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 59 G C 0.270 175.052 174.900 -0.196 0.000 1.199 59 G CA 0.128 45.010 45.100 -0.363 0.000 0.941 59 G HN 1.253 nan 8.290 nan 0.000 0.569 60 L N 2.429 123.588 121.223 -0.106 0.000 2.362 60 L HA 0.246 4.586 4.340 -0.000 0.000 0.219 60 L C 2.950 179.804 176.870 -0.026 0.000 1.134 60 L CA 2.853 57.653 54.840 -0.066 0.000 0.807 60 L CB -0.750 41.279 42.059 -0.050 0.000 0.927 60 L HN 0.985 nan 8.230 nan 0.000 0.447 61 G N -0.587 108.207 108.800 -0.011 0.000 2.442 61 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 61 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 61 G C 1.555 176.465 174.900 0.017 0.000 1.141 61 G CA 1.000 46.119 45.100 0.032 0.000 0.763 61 G HN 0.414 nan 8.290 nan 0.000 0.554 62 L N -0.473 120.740 121.223 -0.017 0.000 2.042 62 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 62 L C 2.672 179.528 176.870 -0.022 0.000 1.076 62 L CA 0.498 55.325 54.840 -0.022 0.000 0.749 62 L CB -0.434 41.588 42.059 -0.063 0.000 0.893 62 L HN 0.139 nan 8.230 nan 0.000 0.432 63 L N -0.836 120.368 121.223 -0.032 0.000 2.376 63 L HA -0.118 4.222 4.340 -0.000 0.000 0.219 63 L C 2.168 179.030 176.870 -0.013 0.000 1.133 63 L CA 1.382 56.205 54.840 -0.028 0.000 0.816 63 L CB -0.423 41.614 42.059 -0.037 0.000 0.933 63 L HN 0.183 nan 8.230 nan 0.000 0.449 64 L N -2.004 119.221 121.223 0.004 0.000 2.162 64 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 64 L C 2.436 179.309 176.870 0.004 0.000 1.086 64 L CA 0.610 55.456 54.840 0.011 0.000 0.778 64 L CB -0.332 41.760 42.059 0.054 0.000 0.928 64 L HN 0.257 nan 8.230 nan 0.000 0.446 65 Q N 0.001 119.808 119.800 0.011 0.000 2.096 65 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 65 Q C 2.111 178.111 176.000 -0.001 0.000 0.982 65 Q CA 1.977 57.785 55.803 0.009 0.000 0.850 65 Q CB -0.093 28.654 28.738 0.015 0.000 0.901 65 Q HN 0.541 nan 8.270 nan 0.000 0.422 66 S N -0.407 115.289 115.700 -0.007 0.000 2.650 66 S HA 0.093 4.563 4.470 -0.000 0.000 0.219 66 S C 0.259 174.850 174.600 -0.016 0.000 0.960 66 S CA -0.030 58.163 58.200 -0.012 0.000 0.925 66 S CB 0.196 63.386 63.200 -0.017 0.000 0.775 66 S HN 0.146 nan 8.310 nan 0.000 0.525 67 K N 0.922 121.312 120.400 -0.017 0.000 3.012 67 K HA -0.212 4.108 4.320 -0.000 0.000 0.259 67 K C 0.588 177.173 176.600 -0.024 0.000 0.989 67 K CA 1.072 57.345 56.287 -0.022 0.000 0.728 67 K CB -2.345 30.143 32.500 -0.020 0.000 1.260 67 K HN 0.695 nan 8.250 nan 0.000 0.480 68 Q N -0.605 119.179 119.800 -0.025 0.000 2.403 68 Q HA 0.176 4.516 4.340 -0.000 0.000 0.203 68 Q C 0.255 176.238 176.000 -0.029 0.000 0.932 68 Q CA 0.450 56.235 55.803 -0.029 0.000 0.945 68 Q CB 0.379 29.097 28.738 -0.033 0.000 1.045 68 Q HN 0.454 nan 8.270 nan 0.000 0.511 69 I N 0.881 121.434 120.570 -0.029 0.000 2.474 69 I HA 0.118 4.288 4.170 -0.000 0.000 0.294 69 I C 0.742 176.837 176.117 -0.037 0.000 1.005 69 I CA -0.396 60.887 61.300 -0.029 0.000 1.113 69 I CB 1.784 39.770 38.000 -0.023 0.000 1.289 69 I HN 0.000 nan 8.210 nan 0.000 0.436 70 K N 4.280 124.660 120.400 -0.033 0.000 2.399 70 K HA 0.374 4.694 4.320 -0.000 0.000 0.196 70 K C 0.799 177.372 176.600 -0.045 0.000 1.117 70 K CA -0.155 56.110 56.287 -0.037 0.000 0.965 70 K CB 0.803 33.288 32.500 -0.026 0.000 0.983 70 K HN 0.350 nan 8.250 nan 0.000 0.531 74 S N 1.386 117.032 115.700 -0.091 0.000 2.697 74 S HA 0.523 4.993 4.470 -0.000 0.000 0.289 74 S C 0.556 175.098 174.600 -0.097 0.000 1.149 74 S CA -0.216 57.904 58.200 -0.134 0.000 0.850 74 S CB 2.032 65.130 63.200 -0.169 0.000 1.151 74 S HN 0.651 nan 8.310 nan 0.000 0.491 75 S N -0.481 115.166 115.700 -0.089 0.000 2.499 75 S HA 0.238 4.708 4.470 -0.000 0.000 0.225 75 S C -0.162 174.491 174.600 0.088 0.000 1.050 75 S CA 0.037 58.232 58.200 -0.009 0.000 0.928 75 S CB -0.180 63.029 63.200 0.014 0.000 0.803 75 S HN 0.743 nan 8.310 nan 0.000 0.506 76 Y N 1.740 121.975 120.300 -0.109 0.000 2.332 76 Y HA 0.509 5.059 4.550 -0.000 0.000 0.325 76 Y C -0.284 175.483 175.900 -0.221 0.000 1.054 76 Y CA -1.170 56.869 58.100 -0.102 0.000 1.119 76 Y CB 2.068 40.491 38.460 -0.062 0.000 1.168 76 Y HN 0.081 nan 8.280 nan 0.000 0.439 77 V N 3.148 122.576 119.914 -0.811 0.000 3.043 77 V HA 0.623 4.743 4.120 -0.000 0.000 0.357 77 V C 0.813 176.354 176.094 -0.923 0.000 1.372 77 V CA 0.335 62.053 62.300 -0.970 0.000 1.214 77 V CB -0.341 30.698 31.823 -1.308 0.000 1.224 77 V HN 0.854 nan 8.190 nan 0.000 0.507 78 G N 0.152 108.220 108.800 -1.220 0.000 2.621 78 G HA2 0.463 4.423 3.960 -0.000 0.000 0.271 78 G HA3 0.463 4.423 3.960 -0.000 0.000 0.271 78 G C 0.258 175.021 174.900 -0.230 0.000 1.236 78 G CA 0.029 44.759 45.100 -0.616 0.000 0.958 78 G HN 0.528 nan 8.290 nan 0.000 0.512 79 E N -1.413 118.754 120.200 -0.055 0.000 2.722 79 E HA -0.177 4.173 4.350 -0.000 0.000 0.265 79 E C 0.001 176.594 176.600 -0.013 0.000 1.081 79 E CA 1.153 57.553 56.400 -0.000 0.000 0.781 79 E CB -1.320 28.402 29.700 0.037 0.000 1.372 79 E HN 0.443 nan 8.360 nan 0.000 0.423 80 N N -1.141 117.548 118.700 -0.018 0.000 2.640 80 N HA 0.465 5.205 4.740 -0.000 0.000 0.262 80 N C 0.594 176.172 175.510 0.113 0.000 1.174 80 N CA 0.563 53.636 53.050 0.040 0.000 0.791 80 N CB 0.813 39.308 38.487 0.013 0.000 1.279 80 N HN 0.060 nan 8.380 nan 0.000 0.535 81 A N 2.263 125.134 122.820 0.084 0.000 1.865 81 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 81 A C 1.778 179.421 177.584 0.098 0.000 1.191 81 A CA 1.840 53.926 52.037 0.081 0.000 0.623 81 A CB -0.442 18.588 19.000 0.050 0.000 0.826 81 A HN 0.668 nan 8.150 nan 0.000 0.444 82 E N -0.881 119.374 120.200 0.092 0.000 2.209 82 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 82 E C 1.510 178.165 176.600 0.091 0.000 0.993 82 E CA 1.446 57.890 56.400 0.074 0.000 0.819 82 E CB -0.479 29.258 29.700 0.062 0.000 0.745 82 E HN 0.596 nan 8.360 nan 0.000 0.477 83 F N 1.467 121.426 119.950 0.014 0.000 2.074 83 F HA -0.074 4.453 4.527 -0.000 0.000 0.293 83 F C 2.141 177.990 175.800 0.082 0.000 1.116 83 F CA 2.100 60.114 58.000 0.023 0.000 1.212 83 F CB -0.501 38.493 39.000 -0.011 0.000 0.998 83 F HN 0.184 nan 8.300 nan 0.000 0.471 84 E N 0.137 120.564 120.200 0.378 0.000 2.077 84 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 84 E C 2.441 179.093 176.600 0.086 0.000 0.989 84 E CA 1.276 57.845 56.400 0.281 0.000 0.800 84 E CB -0.731 29.093 29.700 0.206 0.000 0.746 84 E HN 0.391 nan 8.360 nan 0.000 0.452 85 R N 0.863 121.390 120.500 0.046 0.000 2.080 85 R HA -0.216 4.124 4.340 -0.000 0.000 0.236 85 R C 2.457 178.743 176.300 -0.023 0.000 1.137 85 R CA 2.321 58.420 56.100 -0.002 0.000 0.943 85 R CB -0.231 30.071 30.300 0.002 0.000 0.846 85 R HN 0.388 nan 8.270 nan 0.000 0.431 86 Q N -0.927 118.845 119.800 -0.047 0.000 2.061 86 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 86 Q C 2.023 178.000 176.000 -0.037 0.000 0.984 86 Q CA 1.767 57.525 55.803 -0.076 0.000 0.846 86 Q CB -0.348 28.299 28.738 -0.151 0.000 0.902 86 Q HN 0.385 nan 8.270 nan 0.000 0.421 87 Y N 1.421 121.560 120.300 -0.268 0.000 2.097 87 Y HA -0.221 4.329 4.550 -0.000 0.000 0.282 87 Y C 1.859 177.789 175.900 0.050 0.000 1.152 87 Y CA 1.358 59.356 58.100 -0.170 0.000 1.136 87 Y CB -0.607 37.729 38.460 -0.207 0.000 0.975 87 Y HN 0.032 nan 8.280 nan 0.000 0.498 88 L N -0.192 120.995 121.223 -0.059 0.000 2.017 88 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 88 L C 2.679 179.473 176.870 -0.126 0.000 1.073 88 L CA 1.335 56.023 54.840 -0.252 0.000 0.745 88 L CB -1.091 40.811 42.059 -0.261 0.000 0.894 88 L HN 0.216 nan 8.230 nan 0.000 0.432 89 A N -0.081 122.704 122.820 -0.058 0.000 2.234 89 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 89 A C 1.727 179.317 177.584 0.010 0.000 1.167 89 A CA 1.002 53.019 52.037 -0.033 0.000 0.698 89 A CB -0.989 17.994 19.000 -0.028 0.000 0.779 89 A HN 0.638 nan 8.150 nan 0.000 0.475 90 G N -0.978 107.859 108.800 0.063 0.000 2.198 90 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 90 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 90 G C 0.336 175.263 174.900 0.046 0.000 1.042 90 G CA 0.671 45.826 45.100 0.092 0.000 0.791 90 G HN 0.665 nan 8.290 nan 0.000 0.502 91 E N -1.597 118.617 120.200 0.024 0.000 2.307 91 E HA 0.305 4.655 4.350 -0.000 0.000 0.195 91 E C 0.790 177.375 176.600 -0.025 0.000 0.975 91 E CA 0.077 56.472 56.400 -0.007 0.000 0.878 91 E CB 0.659 30.345 29.700 -0.023 0.000 0.845 91 E HN 0.412 nan 8.360 nan 0.000 0.488 92 L N 1.721 122.923 121.223 -0.035 0.000 2.346 92 L HA 0.314 4.654 4.340 -0.000 0.000 0.276 92 L C -1.006 175.827 176.870 -0.063 0.000 1.006 92 L CA -0.607 54.176 54.840 -0.095 0.000 0.817 92 L CB 1.665 43.580 42.059 -0.240 0.000 1.272 92 L HN -0.184 nan 8.230 nan 0.000 0.421 93 E N 3.703 123.856 120.200 -0.078 0.000 2.249 93 E HA 0.567 4.917 4.350 -0.000 0.000 0.280 93 E C -1.258 175.254 176.600 -0.148 0.000 1.016 93 E CA -0.599 55.761 56.400 -0.067 0.000 0.830 93 E CB 2.008 31.682 29.700 -0.044 0.000 1.081 93 E HN 0.417 nan 8.360 nan 0.000 0.395 94 V N 2.787 122.580 119.914 -0.201 0.000 2.686 94 V HA 0.198 4.318 4.120 -0.000 0.000 0.306 94 V C -0.490 175.518 176.094 -0.143 0.000 1.065 94 V CA -0.747 61.390 62.300 -0.272 0.000 0.894 94 V CB 1.994 33.392 31.823 -0.708 0.000 1.004 94 V HN 0.691 nan 8.190 nan 0.000 0.424 95 E N 4.055 124.205 120.200 -0.084 0.000 2.267 95 E HA 0.409 4.759 4.350 -0.000 0.000 0.241 95 E C -0.828 175.756 176.600 -0.026 0.000 0.950 95 E CA -0.422 55.956 56.400 -0.037 0.000 0.776 95 E CB 1.042 30.723 29.700 -0.031 0.000 1.207 95 E HN 0.568 nan 8.360 nan 0.000 0.436 96 L N 3.147 124.377 121.223 0.012 0.000 2.654 96 L HA 0.057 4.397 4.340 -0.000 0.000 0.271 96 L C 0.110 176.967 176.870 -0.021 0.000 1.169 96 L CA 0.630 55.488 54.840 0.030 0.000 0.947 96 L CB -0.141 42.013 42.059 0.158 0.000 1.232 96 L HN 0.326 nan 8.230 nan 0.000 0.486 97 T N 4.830 119.356 114.554 -0.047 0.000 2.792 97 T HA 0.353 4.703 4.350 -0.000 0.000 0.280 97 T C -2.415 172.233 174.700 -0.086 0.000 0.990 97 T CA -1.408 60.653 62.100 -0.065 0.000 0.960 97 T CB 1.756 70.597 68.868 -0.044 0.000 0.939 97 T HN 0.334 nan 8.240 nan 0.000 0.439 98 P HA -0.002 nan 4.420 nan 0.000 0.262 98 P C 0.724 177.934 177.300 -0.150 0.000 1.182 98 P CA 0.182 63.199 63.100 -0.138 0.000 0.761 98 P CB 0.918 32.534 31.700 -0.140 0.000 0.795 99 Q N 3.492 123.185 119.800 -0.177 0.000 2.062 99 Q HA -0.218 4.122 4.340 -0.000 0.000 0.209 99 Q C 2.218 177.851 176.000 -0.611 0.000 0.996 99 Q CA 2.653 58.314 55.803 -0.237 0.000 0.859 99 Q CB -0.881 27.777 28.738 -0.134 0.000 0.920 99 Q HN 0.692 nan 8.270 nan 0.000 0.415 100 G N -0.851 107.238 108.800 -1.185 0.000 2.446 100 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 100 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 100 G C 1.366 176.113 174.900 -0.256 0.000 1.168 100 G CA 1.325 45.797 45.100 -1.046 0.000 0.771 100 G HN 0.403 nan 8.290 nan 0.000 0.551 101 T N 0.935 115.424 114.554 -0.108 0.000 2.788 101 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 101 T C 2.240 176.997 174.700 0.096 0.000 1.044 101 T CA 1.123 63.269 62.100 0.076 0.000 1.139 101 T CB -0.186 68.710 68.868 0.047 0.000 0.867 101 T HN 0.131 nan 8.240 nan 0.000 0.454 102 L N 1.372 122.619 121.223 0.040 0.000 2.046 102 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 102 L C 2.583 179.578 176.870 0.209 0.000 1.077 102 L CA 1.895 56.807 54.840 0.121 0.000 0.747 102 L CB -0.982 41.147 42.059 0.116 0.000 0.896 102 L HN 0.213 nan 8.230 nan 0.000 0.432 103 A N -1.092 121.830 122.820 0.170 0.000 1.877 103 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 103 A C 2.229 179.794 177.584 -0.032 0.000 1.186 103 A CA 1.571 53.618 52.037 0.018 0.000 0.620 103 A CB -0.627 18.246 19.000 -0.212 0.000 0.822 103 A HN 0.479 nan 8.150 nan 0.000 0.443 104 E N 0.057 120.229 120.200 -0.047 0.000 2.051 104 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 104 E C 2.270 178.781 176.600 -0.149 0.000 0.991 104 E CA 1.077 57.351 56.400 -0.210 0.000 0.799 104 E CB -0.343 29.147 29.700 -0.351 0.000 0.748 104 E HN 0.600 nan 8.360 nan 0.000 0.449 105 R N 0.152 120.747 120.500 0.158 0.000 2.083 105 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 105 R C 2.614 178.977 176.300 0.105 0.000 1.137 105 R CA 1.419 57.677 56.100 0.263 0.000 0.951 105 R CB -0.443 29.993 30.300 0.226 0.000 0.851 105 R HN 0.213 nan 8.270 nan 0.000 0.434 106 I N 0.219 120.833 120.570 0.073 0.000 2.179 106 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 106 I C 2.823 178.933 176.117 -0.012 0.000 1.088 106 I CA 1.275 62.603 61.300 0.046 0.000 1.357 106 I CB -0.328 37.722 38.000 0.084 0.000 1.051 106 I HN 0.197 nan 8.210 nan 0.000 0.409 107 R N 1.403 121.867 120.500 -0.059 0.000 2.083 107 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 107 R C 2.377 178.622 176.300 -0.092 0.000 1.137 107 R CA 1.771 57.808 56.100 -0.105 0.000 0.951 107 R CB -0.328 29.879 30.300 -0.156 0.000 0.851 107 R HN 0.347 nan 8.270 nan 0.000 0.434 108 A N 0.294 123.055 122.820 -0.098 0.000 1.978 108 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 108 A C 2.329 179.914 177.584 0.001 0.000 1.170 108 A CA 1.730 53.737 52.037 -0.050 0.000 0.636 108 A CB -1.184 17.834 19.000 0.030 0.000 0.810 108 A HN 0.624 nan 8.150 nan 0.000 0.448 109 G N -1.088 107.719 108.800 0.011 0.000 2.448 109 G HA2 0.111 4.071 3.960 -0.000 0.000 0.219 109 G HA3 0.111 4.071 3.960 -0.000 0.000 0.219 109 G C 1.216 176.121 174.900 0.009 0.000 1.127 109 G CA 1.162 46.273 45.100 0.019 0.000 0.766 109 G HN 0.783 nan 8.290 nan 0.000 0.552 110 G N -0.657 108.135 108.800 -0.012 0.000 3.159 110 G HA2 0.402 4.362 3.960 -0.000 0.000 0.232 110 G HA3 0.402 4.362 3.960 -0.000 0.000 0.232 110 G C 1.080 175.989 174.900 0.014 0.000 1.116 110 G CA 0.933 46.029 45.100 -0.007 0.000 0.767 110 G HN 0.534 nan 8.290 nan 0.000 0.547 111 A N -0.241 122.578 122.820 -0.001 0.000 2.503 111 A HA 0.543 4.863 4.320 -0.000 0.000 0.263 111 A C 1.650 179.242 177.584 0.013 0.000 1.258 111 A CA 0.840 52.881 52.037 0.007 0.000 0.936 111 A CB -0.238 18.746 19.000 -0.026 0.000 1.070 111 A HN 1.382 nan 8.150 nan 0.000 0.522 112 G N -0.904 107.908 108.800 0.020 0.000 2.176 112 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.252 112 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.252 112 G C -0.066 174.845 174.900 0.018 0.000 1.024 112 G CA 0.286 45.399 45.100 0.021 0.000 0.755 112 G HN 0.913 nan 8.290 nan 0.000 0.507 113 V N 1.504 121.429 119.914 0.019 0.000 2.350 113 V HA 0.381 4.501 4.120 -0.000 0.000 0.285 113 V C -0.260 175.866 176.094 0.055 0.000 1.014 113 V CA -0.722 61.597 62.300 0.032 0.000 0.831 113 V CB 1.864 33.699 31.823 0.020 0.000 1.000 113 V HN 0.154 nan 8.190 nan 0.000 0.433 114 P HA 0.078 nan 4.420 nan 0.000 0.219 114 P C 0.281 177.605 177.300 0.040 0.000 1.150 114 P CA 0.941 64.063 63.100 0.035 0.000 0.814 114 P CB 0.846 32.555 31.700 0.016 0.000 0.787 115 A N -1.032 121.815 122.820 0.045 0.000 2.612 115 A HA 0.667 4.987 4.320 -0.000 0.000 0.293 115 A C -1.436 176.168 177.584 0.033 0.000 1.075 115 A CA -0.632 51.391 52.037 -0.024 0.000 0.680 115 A CB 0.708 19.611 19.000 -0.162 0.000 1.279 115 A HN 0.117 nan 8.150 nan 0.000 0.411 116 F N -1.796 118.022 119.950 -0.221 0.000 2.711 116 F HA 0.830 5.357 4.527 -0.000 0.000 0.313 116 F C -1.775 173.831 175.800 -0.323 0.000 1.141 116 F CA -1.445 56.419 58.000 -0.227 0.000 0.941 116 F CB 0.750 39.677 39.000 -0.122 0.000 1.349 116 F HN 0.475 nan 8.300 nan 0.000 0.464 117 Y N 0.292 120.562 120.300 -0.050 0.000 2.361 117 Y HA 0.655 5.205 4.550 -0.000 0.000 0.332 117 Y C 0.380 176.296 175.900 0.026 0.000 1.101 117 Y CA -0.499 57.526 58.100 -0.124 0.000 1.137 117 Y CB 2.023 40.319 38.460 -0.272 0.000 1.207 117 Y HN 0.909 nan 8.280 nan 0.000 0.463 118 T N -0.155 114.592 114.554 0.321 0.000 2.894 118 T HA 0.303 4.653 4.350 -0.000 0.000 0.309 118 T C 0.408 175.440 174.700 0.553 0.000 1.208 118 T CA -0.199 62.154 62.100 0.422 0.000 1.016 118 T CB 0.936 70.008 68.868 0.339 0.000 1.192 118 T HN 0.624 nan 8.240 nan 0.000 0.491 119 S N 1.391 117.407 115.700 0.528 0.000 2.524 119 S HA 0.155 4.625 4.470 -0.000 0.000 0.216 119 S C 0.816 175.524 174.600 0.181 0.000 0.987 119 S CA -0.091 58.238 58.200 0.215 0.000 0.909 119 S CB -0.298 62.871 63.200 -0.052 0.000 0.781 119 S HN 0.723 nan 8.310 nan 0.000 0.521 120 T N 2.689 117.356 114.554 0.188 0.000 2.829 120 T HA 0.463 4.813 4.350 -0.000 0.000 0.293 120 T C 1.339 176.093 174.700 0.090 0.000 0.970 120 T CA 0.931 63.103 62.100 0.120 0.000 1.168 120 T CB 0.341 69.270 68.868 0.103 0.000 0.911 120 T HN 0.871 nan 8.240 nan 0.000 0.535 121 G N 2.826 111.656 108.800 0.051 0.000 2.213 121 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.236 121 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.236 121 G C 0.063 174.998 174.900 0.059 0.000 0.991 121 G CA -0.087 45.021 45.100 0.013 0.000 0.629 121 G HN 0.799 nan 8.290 nan 0.000 0.517 122 Y N 1.462 121.771 120.300 0.015 0.000 2.702 122 Y HA 0.335 4.885 4.550 -0.000 0.000 0.336 122 Y C 1.577 177.481 175.900 0.007 0.000 1.235 122 Y CA 1.285 59.396 58.100 0.019 0.000 1.492 122 Y CB 0.678 39.142 38.460 0.007 0.000 1.308 122 Y HN 1.493 nan 8.280 nan 0.000 0.589 123 G N 3.036 111.223 108.800 -1.022 0.000 2.180 123 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.263 123 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.263 123 G C 0.247 174.996 174.900 -0.253 0.000 0.989 123 G CA 0.637 45.312 45.100 -0.708 0.000 0.692 123 G HN 0.892 nan 8.290 nan 0.000 0.526 124 T N -0.984 113.481 114.554 -0.149 0.000 2.940 124 T HA 0.571 4.921 4.350 -0.000 0.000 0.288 124 T C 1.880 176.599 174.700 0.032 0.000 1.045 124 T CA -0.340 61.755 62.100 -0.008 0.000 1.018 124 T CB 1.275 70.130 68.868 -0.021 0.000 1.151 124 T HN 0.062 nan 8.240 nan 0.000 0.529 125 L N 1.466 122.776 121.223 0.144 0.000 2.081 125 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 125 L C 2.564 179.483 176.870 0.081 0.000 1.080 125 L CA 1.121 56.051 54.840 0.150 0.000 0.754 125 L CB -0.535 41.705 42.059 0.302 0.000 0.893 125 L HN 0.489 nan 8.230 nan 0.000 0.433 126 V N -0.364 119.571 119.914 0.035 0.000 2.287 126 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 126 V C 2.490 178.591 176.094 0.011 0.000 1.053 126 V CA 2.180 64.477 62.300 -0.005 0.000 1.027 126 V CB -0.604 31.181 31.823 -0.064 0.000 0.646 126 V HN 0.577 nan 8.190 nan 0.000 0.447 127 Q N 0.401 120.209 119.800 0.013 0.000 2.137 127 Q HA -0.176 4.164 4.340 -0.000 0.000 0.198 127 Q C 2.072 178.090 176.000 0.029 0.000 0.960 127 Q CA 1.876 57.700 55.803 0.036 0.000 0.847 127 Q CB 0.043 28.808 28.738 0.044 0.000 0.915 127 Q HN 0.897 nan 8.270 nan 0.000 0.448 128 E N -0.723 119.482 120.200 0.009 0.000 2.447 128 E HA 0.282 4.632 4.350 -0.000 0.000 0.195 128 E C 0.672 177.286 176.600 0.024 0.000 1.028 128 E CA 0.423 56.831 56.400 0.013 0.000 0.876 128 E CB 0.355 30.050 29.700 -0.008 0.000 0.885 128 E HN 0.312 nan 8.360 nan 0.000 0.500 129 G N 0.129 108.947 108.800 0.031 0.000 2.746 129 G HA2 0.034 3.994 3.960 -0.000 0.000 0.685 129 G HA3 0.034 3.994 3.960 -0.000 0.000 0.685 129 G C 0.608 175.531 174.900 0.040 0.000 1.350 129 G CA -0.238 44.882 45.100 0.032 0.000 0.837 129 G HN 0.882 nan 8.290 nan 0.000 0.564 130 G N -1.723 107.099 108.800 0.036 0.000 2.184 130 G HA2 0.142 4.102 3.960 -0.000 0.000 0.206 130 G HA3 0.142 4.102 3.960 -0.000 0.000 0.206 130 G C 0.846 175.775 174.900 0.048 0.000 0.995 130 G CA 1.390 46.510 45.100 0.034 0.000 0.651 130 G HN 2.355 nan 8.290 nan 0.000 0.511 131 S N 2.807 118.552 115.700 0.076 0.000 2.533 131 S HA 0.499 4.969 4.470 -0.000 0.000 0.282 131 S C -1.769 172.856 174.600 0.041 0.000 1.304 131 S CA -0.407 57.864 58.200 0.117 0.000 1.063 131 S CB 0.866 64.166 63.200 0.166 0.000 0.881 131 S HN 0.314 nan 8.310 nan 0.000 0.493 132 P HA 0.130 nan 4.420 nan 0.000 0.269 132 P C 0.319 177.570 177.300 -0.081 0.000 1.252 132 P CA 0.085 63.068 63.100 -0.195 0.000 0.780 132 P CB 0.343 31.733 31.700 -0.516 0.000 0.829 133 I N 2.499 123.019 120.570 -0.083 0.000 2.731 133 I HA 0.086 4.256 4.170 -0.000 0.000 0.260 133 I C 1.275 177.387 176.117 -0.007 0.000 1.138 133 I CA 0.884 62.170 61.300 -0.024 0.000 1.461 133 I CB 0.192 38.176 38.000 -0.028 0.000 1.128 133 I HN 0.309 nan 8.210 nan 0.000 0.438 134 K N 0.398 120.750 120.400 -0.081 0.000 2.581 134 K HA 0.315 4.635 4.320 -0.000 0.000 0.249 134 K C -1.657 174.886 176.600 -0.095 0.000 0.966 134 K CA -0.542 55.728 56.287 -0.029 0.000 0.811 134 K CB 1.524 34.024 32.500 -0.000 0.000 1.223 134 K HN -0.221 nan 8.250 nan 0.000 0.438 135 Y N 1.317 121.639 120.300 0.038 0.000 2.316 135 Y HA 0.262 4.812 4.550 -0.000 0.000 0.324 135 Y C 0.995 176.883 175.900 -0.019 0.000 1.267 135 Y CA -0.278 57.808 58.100 -0.024 0.000 1.311 135 Y CB 0.817 39.218 38.460 -0.098 0.000 1.267 135 Y HN 0.520 nan 8.280 nan 0.000 0.516 136 N N 0.789 119.587 118.700 0.164 0.000 2.495 136 N HA 0.107 4.847 4.740 -0.000 0.000 0.280 136 N C 0.854 176.393 175.510 0.048 0.000 1.168 136 N CA -0.310 52.786 53.050 0.077 0.000 0.978 136 N CB 1.476 39.995 38.487 0.053 0.000 1.191 136 N HN 0.479 nan 8.380 nan 0.000 0.497 137 K N 0.704 121.117 120.400 0.022 0.000 2.107 137 K HA -0.193 4.127 4.320 -0.000 0.000 0.211 137 K C 0.829 177.420 176.600 -0.014 0.000 1.049 137 K CA 1.654 57.942 56.287 0.001 0.000 0.927 137 K CB -0.287 32.212 32.500 -0.002 0.000 0.714 137 K HN 0.698 nan 8.250 nan 0.000 0.452 138 D N -2.451 117.944 120.400 -0.008 0.000 1.851 138 D HA -0.008 4.632 4.640 -0.000 0.000 0.309 138 D C 1.474 177.751 176.300 -0.038 0.000 1.070 138 D CA 1.277 55.264 54.000 -0.021 0.000 0.876 138 D CB -0.900 39.893 40.800 -0.011 0.000 1.147 138 D HN 0.119 nan 8.370 nan 0.000 0.392 139 G N -1.383 107.399 108.800 -0.030 0.000 3.342 139 G HA2 0.216 4.176 3.960 -0.000 0.000 0.252 139 G HA3 0.216 4.176 3.960 -0.000 0.000 0.252 139 G C 0.388 175.298 174.900 0.016 0.000 1.011 139 G CA 0.445 45.511 45.100 -0.057 0.000 0.869 139 G HN 0.627 nan 8.290 nan 0.000 0.514 140 S N 0.006 115.738 115.700 0.053 0.000 2.634 140 S HA 0.596 5.066 4.470 -0.000 0.000 0.261 140 S C 0.071 174.765 174.600 0.156 0.000 1.271 140 S CA -0.529 57.724 58.200 0.088 0.000 0.985 140 S CB 1.220 64.447 63.200 0.045 0.000 0.968 140 S HN 0.076 nan 8.310 nan 0.000 0.568 141 I N 1.531 122.159 120.570 0.097 0.000 2.325 141 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 141 I C 1.149 177.270 176.117 0.006 0.000 1.019 141 I CA -0.575 60.740 61.300 0.026 0.000 1.302 141 I CB 1.215 39.194 38.000 -0.034 0.000 1.401 141 I HN 0.899 nan 8.210 nan 0.000 0.485 142 A N 7.591 130.410 122.820 -0.002 0.000 1.878 142 A HA 0.286 4.606 4.320 -0.000 0.000 0.213 142 A C 0.933 178.508 177.584 -0.015 0.000 1.192 142 A CA 0.949 52.987 52.037 0.002 0.000 0.619 142 A CB 0.104 19.112 19.000 0.014 0.000 0.837 142 A HN 0.633 nan 8.150 nan 0.000 0.446 143 I N -0.045 120.503 120.570 -0.036 0.000 2.439 143 I HA 0.523 4.693 4.170 -0.000 0.000 0.285 143 I C -0.299 175.788 176.117 -0.049 0.000 1.021 143 I CA -0.534 60.747 61.300 -0.033 0.000 1.091 143 I CB 1.879 39.864 38.000 -0.025 0.000 1.242 143 I HN 0.195 nan 8.210 nan 0.000 0.439 144 A N 4.531 127.332 122.820 -0.031 0.000 2.317 144 A HA 0.694 5.014 4.320 -0.000 0.000 0.327 144 A C 0.327 177.906 177.584 -0.008 0.000 1.178 144 A CA -0.518 51.504 52.037 -0.025 0.000 0.817 144 A CB 1.076 20.067 19.000 -0.014 0.000 1.189 144 A HN 0.782 nan 8.150 nan 0.000 0.489 145 S N 2.141 117.843 115.700 0.002 0.000 2.566 145 S HA 0.228 4.698 4.470 -0.000 0.000 0.280 145 S C -0.071 174.536 174.600 0.011 0.000 1.343 145 S CA 0.171 58.377 58.200 0.009 0.000 1.036 145 S CB 0.208 63.423 63.200 0.024 0.000 0.866 145 S HN 0.635 nan 8.310 nan 0.000 0.526 146 K N 1.793 122.197 120.400 0.007 0.000 2.118 146 K HA 0.495 4.815 4.320 -0.000 0.000 0.254 146 K C -2.455 174.153 176.600 0.013 0.000 0.961 146 K CA -2.419 53.874 56.287 0.009 0.000 0.876 146 K CB 0.961 33.464 32.500 0.005 0.000 1.077 146 K HN 0.550 nan 8.250 nan 0.000 0.440 147 P HA 0.002 nan 4.420 nan 0.000 0.266 147 P C -0.862 176.454 177.300 0.026 0.000 1.195 147 P CA 0.015 63.131 63.100 0.027 0.000 0.768 147 P CB 0.630 32.349 31.700 0.032 0.000 0.838 148 R N 2.008 122.530 120.500 0.037 0.000 2.428 148 R HA 0.311 4.651 4.340 -0.000 0.000 0.294 148 R C 0.525 176.872 176.300 0.079 0.000 1.000 148 R CA -0.779 55.342 56.100 0.035 0.000 0.960 148 R CB 0.588 30.905 30.300 0.028 0.000 1.076 148 R HN 0.541 nan 8.270 nan 0.000 0.475 149 E N 0.873 121.120 120.200 0.079 0.000 2.398 149 E HA 0.135 4.485 4.350 -0.000 0.000 0.263 149 E C -0.387 176.348 176.600 0.226 0.000 1.046 149 E CA -0.121 56.360 56.400 0.134 0.000 0.908 149 E CB 0.927 30.703 29.700 0.127 0.000 0.963 149 E HN 0.106 nan 8.360 nan 0.000 0.431 150 V N 3.229 123.278 119.914 0.225 0.000 2.513 150 V HA 0.490 4.610 4.120 -0.000 0.000 0.299 150 V C -0.068 176.123 176.094 0.161 0.000 1.035 150 V CA -0.579 61.874 62.300 0.255 0.000 0.889 150 V CB 1.561 33.563 31.823 0.298 0.000 0.988 150 V HN 0.609 nan 8.190 nan 0.000 0.440 151 R N 3.073 123.631 120.500 0.096 0.000 2.626 151 R HA 0.512 4.852 4.340 -0.000 0.000 0.274 151 R C -1.023 175.135 176.300 -0.237 0.000 1.031 151 R CA -0.613 55.398 56.100 -0.148 0.000 0.898 151 R CB 2.281 32.420 30.300 -0.268 0.000 1.222 151 R HN 0.936 nan 8.270 nan 0.000 0.455 152 E N 3.691 123.606 120.200 -0.475 0.000 2.191 152 E HA 0.396 4.746 4.350 -0.000 0.000 0.274 152 E C -1.475 174.829 176.600 -0.493 0.000 0.948 152 E CA -0.608 55.537 56.400 -0.426 0.000 0.802 152 E CB 1.328 30.624 29.700 -0.673 0.000 1.137 152 E HN 0.287 nan 8.360 nan 0.000 0.397 153 F N 1.483 121.448 119.950 0.024 0.000 2.547 153 F HA 0.285 4.812 4.527 -0.000 0.000 0.316 153 F C -0.327 175.519 175.800 0.077 0.000 1.121 153 F CA -1.101 56.901 58.000 0.004 0.000 0.911 153 F CB 1.746 40.682 39.000 -0.107 0.000 1.179 153 F HN 0.659 nan 8.300 nan 0.000 0.443 154 N N 1.384 120.169 118.700 0.142 0.000 2.714 154 N HA -0.157 4.583 4.740 -0.000 0.000 0.252 154 N C 0.931 176.483 175.510 0.070 0.000 1.014 154 N CA 0.839 53.948 53.050 0.098 0.000 0.735 154 N CB -1.110 37.454 38.487 0.128 0.000 0.924 154 N HN 1.232 nan 8.380 nan 0.000 0.540 155 G N -1.517 107.290 108.800 0.010 0.000 2.189 155 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.267 155 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.267 155 G C -0.044 174.846 174.900 -0.017 0.000 0.975 155 G CA 0.850 45.943 45.100 -0.012 0.000 0.644 155 G HN 0.717 nan 8.290 nan 0.000 0.537 156 Q N -0.433 119.355 119.800 -0.019 0.000 2.297 156 Q HA 0.614 4.954 4.340 -0.000 0.000 0.268 156 Q C -0.763 175.017 176.000 -0.366 0.000 1.045 156 Q CA -0.920 54.789 55.803 -0.156 0.000 0.861 156 Q CB 0.999 29.593 28.738 -0.240 0.000 1.344 156 Q HN 0.481 nan 8.270 nan 0.000 0.452 157 H N 1.008 119.665 119.070 -0.687 0.000 2.458 157 H HA 0.445 5.001 4.556 -0.000 0.000 0.330 157 H C -1.240 173.534 175.328 -0.924 0.000 1.111 157 H CA 0.173 55.746 56.048 -0.792 0.000 1.245 157 H CB 0.585 29.530 29.762 -1.362 0.000 1.456 157 H HN 0.361 nan 8.280 nan 0.000 0.488 158 F N 1.875 121.774 119.950 -0.085 0.000 2.603 158 F HA 0.467 4.994 4.527 -0.000 0.000 0.317 158 F C -0.071 175.869 175.800 0.235 0.000 1.066 158 F CA -1.176 56.884 58.000 0.100 0.000 0.941 158 F CB 1.507 40.597 39.000 0.151 0.000 1.291 158 F HN 0.369 nan 8.300 nan 0.000 0.472 159 I N 0.501 121.363 120.570 0.487 0.000 2.646 159 I HA 0.669 4.839 4.170 -0.000 0.000 0.299 159 I C -1.516 174.732 176.117 0.218 0.000 1.036 159 I CA -1.221 60.297 61.300 0.363 0.000 1.074 159 I CB 2.042 40.182 38.000 0.233 0.000 1.258 159 I HN 0.436 nan 8.210 nan 0.000 0.430 160 L N 4.471 125.704 121.223 0.017 0.000 2.290 160 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 160 L C -0.366 176.271 176.870 -0.390 0.000 1.078 160 L CA 0.626 55.201 54.840 -0.442 0.000 0.815 160 L CB 0.346 42.142 42.059 -0.440 0.000 1.162 160 L HN 0.580 nan 8.230 nan 0.000 0.435 161 E N 4.572 124.379 120.200 -0.655 0.000 2.199 161 E HA 0.368 4.718 4.350 -0.000 0.000 0.269 161 E C -0.971 175.310 176.600 -0.532 0.000 0.899 161 E CA -0.528 55.521 56.400 -0.584 0.000 0.772 161 E CB 1.759 31.013 29.700 -0.743 0.000 1.155 161 E HN 0.597 nan 8.360 nan 0.000 0.408 162 E N 0.750 120.810 120.200 -0.234 0.000 2.248 162 E HA 0.533 4.883 4.350 -0.000 0.000 0.272 162 E C -0.357 176.257 176.600 0.023 0.000 1.008 162 E CA -0.850 55.491 56.400 -0.098 0.000 0.856 162 E CB 1.559 31.219 29.700 -0.067 0.000 1.120 162 E HN 0.512 nan 8.360 nan 0.000 0.397 163 A N 2.739 125.608 122.820 0.081 0.000 2.483 163 A HA 0.198 4.518 4.320 -0.000 0.000 0.238 163 A C -0.088 177.536 177.584 0.065 0.000 1.070 163 A CA 0.228 52.332 52.037 0.111 0.000 0.770 163 A CB 0.030 19.081 19.000 0.085 0.000 1.008 163 A HN 0.544 nan 8.150 nan 0.000 0.497 164 I N 1.814 122.425 120.570 0.068 0.000 2.433 164 I HA 0.534 4.704 4.170 -0.000 0.000 0.292 164 I C 0.187 176.328 176.117 0.039 0.000 1.001 164 I CA -0.453 60.875 61.300 0.047 0.000 1.119 164 I CB 1.630 39.661 38.000 0.052 0.000 1.289 164 I HN 0.905 nan 8.210 nan 0.000 0.438 165 R N 4.525 125.044 120.500 0.031 0.000 2.515 165 R HA 0.687 5.027 4.340 -0.000 0.000 0.278 165 R C -1.029 175.287 176.300 0.027 0.000 1.107 165 R CA -0.725 55.392 56.100 0.027 0.000 0.945 165 R CB 1.445 31.759 30.300 0.022 0.000 1.219 165 R HN 0.629 nan 8.270 nan 0.000 0.434 166 G N 0.581 109.401 108.800 0.032 0.000 2.531 166 G HA2 0.192 4.152 3.960 -0.000 0.000 0.313 166 G HA3 0.192 4.152 3.960 -0.000 0.000 0.313 166 G C -0.140 174.775 174.900 0.025 0.000 1.238 166 G CA -0.614 44.512 45.100 0.044 0.000 0.994 166 G HN 0.714 nan 8.290 nan 0.000 0.493 167 D N -1.031 119.404 120.400 0.058 0.000 2.194 167 D HA 0.058 4.698 4.640 -0.000 0.000 0.204 167 D C -0.145 176.018 176.300 -0.230 0.000 0.964 167 D CA 1.219 55.209 54.000 -0.017 0.000 0.846 167 D CB 0.283 41.180 40.800 0.161 0.000 0.962 167 D HN 0.140 nan 8.370 nan 0.000 0.490 168 F N -0.487 119.481 119.950 0.030 0.000 2.626 168 F HA 0.551 5.078 4.527 0.000 0.000 0.311 168 F C -0.654 175.163 175.800 0.028 0.000 1.088 168 F CA -1.161 56.858 58.000 0.033 0.000 0.949 168 F CB 2.027 41.036 39.000 0.014 0.000 1.322 168 F HN -0.307 nan 8.300 nan 0.000 0.461 169 A N 2.187 125.141 122.820 0.224 0.000 2.398 169 A HA 0.813 5.133 4.320 -0.000 0.000 0.301 169 A C -1.812 175.847 177.584 0.126 0.000 1.041 169 A CA -0.554 51.562 52.037 0.131 0.000 0.711 169 A CB 1.068 20.113 19.000 0.075 0.000 1.240 169 A HN 0.711 nan 8.150 nan 0.000 0.420 170 L N 3.812 125.090 121.223 0.091 0.000 2.313 170 L HA 0.547 4.887 4.340 -0.000 0.000 0.273 170 L C -0.072 176.843 176.870 0.075 0.000 1.028 170 L CA -0.853 54.029 54.840 0.070 0.000 0.871 170 L CB 1.096 43.177 42.059 0.036 0.000 1.242 170 L HN 0.618 nan 8.230 nan 0.000 0.434 171 V N 0.739 120.710 119.914 0.095 0.000 2.667 171 V HA 0.705 4.825 4.120 -0.000 0.000 0.308 171 V C -0.442 175.752 176.094 0.165 0.000 1.048 171 V CA -0.712 61.667 62.300 0.132 0.000 0.928 171 V CB 2.104 34.025 31.823 0.163 0.000 1.004 171 V HN 0.643 nan 8.190 nan 0.000 0.444 172 K N 3.532 124.055 120.400 0.205 0.000 2.182 172 K HA 0.921 5.241 4.320 -0.000 0.000 0.262 172 K C -0.536 176.265 176.600 0.336 0.000 0.957 172 K CA 0.294 56.715 56.287 0.225 0.000 0.842 172 K CB 1.344 33.959 32.500 0.191 0.000 1.099 172 K HN 1.425 nan 8.250 nan 0.000 0.438 173 A N 2.959 125.928 122.820 0.248 0.000 2.564 173 A HA 0.522 4.842 4.320 -0.000 0.000 0.288 173 A C -0.690 176.988 177.584 0.157 0.000 1.164 173 A CA -0.729 51.424 52.037 0.193 0.000 0.712 173 A CB 0.172 19.074 19.000 -0.164 0.000 1.303 173 A HN 0.868 nan 8.150 nan 0.000 0.418 174 W N 0.766 121.999 121.300 -0.110 0.000 2.539 174 W HA 0.321 4.981 4.660 -0.000 0.000 0.315 174 W C 0.191 176.676 176.519 -0.057 0.000 1.148 174 W CA 1.223 58.518 57.345 -0.083 0.000 1.403 174 W CB -0.070 29.357 29.460 -0.055 0.000 1.168 174 W HN 0.568 nan 8.180 nan 0.000 0.489 175 K N -0.479 119.840 120.400 -0.136 0.000 2.400 175 K HA 0.666 4.986 4.320 -0.000 0.000 0.246 175 K C -1.339 175.272 176.600 0.019 0.000 0.995 175 K CA -0.815 55.371 56.287 -0.167 0.000 0.840 175 K CB 2.162 34.481 32.500 -0.302 0.000 1.293 175 K HN -0.138 nan 8.250 nan 0.000 0.445 176 A N 1.662 124.554 122.820 0.120 0.000 2.459 176 A HA 0.406 4.725 4.320 -0.000 0.000 0.296 176 A C -1.499 176.183 177.584 0.163 0.000 1.039 176 A CA -0.906 51.236 52.037 0.176 0.000 0.698 176 A CB 0.921 19.961 19.000 0.067 0.000 1.261 176 A HN 0.801 nan 8.150 nan 0.000 0.405 177 D N 1.096 121.618 120.400 0.203 0.000 2.383 177 D HA 0.224 4.864 4.640 -0.000 0.000 0.248 177 D C 0.656 177.038 176.300 0.136 0.000 1.170 177 D CA -0.381 53.593 54.000 -0.043 0.000 0.977 177 D CB 0.451 41.139 40.800 -0.187 0.000 1.120 177 D HN 0.487 nan 8.370 nan 0.000 0.481 178 Q N -0.517 119.310 119.800 0.045 0.000 2.541 178 Q HA -0.008 4.332 4.340 -0.000 0.000 0.215 178 Q C 1.303 177.378 176.000 0.125 0.000 0.977 178 Q CA 0.901 56.724 55.803 0.033 0.000 0.934 178 Q CB -0.086 28.560 28.738 -0.153 0.000 0.988 178 Q HN 0.621 nan 8.270 nan 0.000 0.521 179 A N -0.390 122.528 122.820 0.164 0.000 2.147 179 A HA 0.337 4.657 4.320 -0.000 0.000 0.211 179 A C 1.561 179.293 177.584 0.246 0.000 1.160 179 A CA 0.889 53.023 52.037 0.162 0.000 0.781 179 A CB 0.278 19.330 19.000 0.087 0.000 0.842 179 A HN 0.413 nan 8.150 nan 0.000 0.475 180 G N -0.886 108.082 108.800 0.280 0.000 2.192 180 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.193 180 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.193 180 G C -0.242 174.712 174.900 0.090 0.000 0.999 180 G CA -0.123 45.065 45.100 0.146 0.000 0.659 180 G HN 0.370 nan 8.290 nan 0.000 0.503 181 N N 0.620 119.405 118.700 0.140 0.000 2.483 181 N HA 0.406 5.146 4.740 -0.000 0.000 0.264 181 N C -0.075 175.468 175.510 0.055 0.000 1.197 181 N CA 0.393 53.508 53.050 0.109 0.000 0.927 181 N CB 2.012 40.614 38.487 0.192 0.000 1.065 181 N HN 0.157 nan 8.380 nan 0.000 0.461 182 V N 1.287 121.111 119.914 -0.149 0.000 2.628 182 V HA 0.529 4.649 4.120 -0.000 0.000 0.306 182 V C 0.357 176.060 176.094 -0.652 0.000 1.045 182 V CA -0.646 61.447 62.300 -0.344 0.000 0.905 182 V CB 1.982 33.626 31.823 -0.299 0.000 0.997 182 V HN 0.850 nan 8.190 nan 0.000 0.436 183 T N 0.789 114.862 114.554 -0.802 0.000 2.916 183 T HA 0.820 5.170 4.350 -0.000 0.000 0.292 183 T C -1.060 173.349 174.700 -0.485 0.000 1.055 183 T CA -0.553 61.075 62.100 -0.786 0.000 1.009 183 T CB 1.777 70.043 68.868 -1.004 0.000 1.118 183 T HN 0.161 nan 8.240 nan 0.000 0.497 184 F N 0.046 120.307 119.950 0.518 0.000 2.561 184 F HA 0.688 5.215 4.527 -0.000 0.000 0.321 184 F C 0.593 176.540 175.800 0.245 0.000 1.065 184 F CA -1.236 56.948 58.000 0.307 0.000 0.934 184 F CB 2.011 41.087 39.000 0.126 0.000 1.215 184 F HN 0.542 nan 8.300 nan 0.000 0.471 185 R N 2.464 123.057 120.500 0.154 0.000 2.460 185 R HA 0.359 4.699 4.340 -0.000 0.000 0.303 185 R C -0.057 175.980 176.300 -0.439 0.000 0.968 185 R CA -0.411 55.503 56.100 -0.310 0.000 0.889 185 R CB 0.749 30.498 30.300 -0.918 0.000 1.123 185 R HN 0.681 nan 8.270 nan 0.000 0.455 186 K N 0.516 120.494 120.400 -0.703 0.000 2.102 186 K HA -0.267 4.053 4.320 -0.000 0.000 0.126 186 K C 0.845 176.724 176.600 -1.203 0.000 1.412 186 K CA 1.949 57.390 56.287 -1.410 0.000 0.569 186 K CB -1.690 30.336 32.500 -0.790 0.000 0.531 186 K HN 0.823 nan 8.250 nan 0.000 0.961 187 S N 0.487 115.727 115.700 -0.767 0.000 2.701 187 S HA 0.274 4.744 4.470 -0.000 0.000 0.220 187 S C 1.483 175.943 174.600 -0.234 0.000 0.954 187 S CA 0.716 58.683 58.200 -0.388 0.000 0.936 187 S CB 0.149 63.221 63.200 -0.212 0.000 0.777 187 S HN 0.645 nan 8.310 nan 0.000 0.518 188 A N 1.626 124.316 122.820 -0.217 0.000 2.209 188 A HA 0.136 4.456 4.320 -0.000 0.000 0.212 188 A C 2.172 179.711 177.584 -0.076 0.000 1.158 188 A CA 0.567 52.556 52.037 -0.081 0.000 0.742 188 A CB -0.510 18.457 19.000 -0.056 0.000 0.790 188 A HN 0.573 nan 8.150 nan 0.000 0.472 189 R N 0.640 121.029 120.500 -0.185 0.000 2.064 189 R HA -0.190 4.150 4.340 -0.000 0.000 0.228 189 R C 1.700 177.779 176.300 -0.368 0.000 1.144 189 R CA 1.781 57.631 56.100 -0.416 0.000 0.932 189 R CB -0.473 29.598 30.300 -0.382 0.000 0.833 189 R HN 0.730 nan 8.270 nan 0.000 0.429 190 N N -0.936 117.614 118.700 -0.250 0.000 1.109 190 N HA -0.356 4.384 4.740 -0.000 0.000 0.142 190 N C 0.948 176.331 175.510 -0.212 0.000 0.434 190 N CA 2.584 55.536 53.050 -0.163 0.000 0.976 190 N CB -1.510 37.030 38.487 0.088 0.000 1.494 190 N HN 0.217 nan 8.380 nan 0.000 0.474 191 F N 0.179 120.088 119.950 -0.068 0.000 2.615 191 F HA 0.207 4.734 4.527 -0.000 0.000 0.297 191 F C 2.211 177.931 175.800 -0.134 0.000 1.124 191 F CA 0.294 58.255 58.000 -0.066 0.000 1.451 191 F CB -0.387 38.614 39.000 0.003 0.000 1.103 191 F HN 0.263 nan 8.300 nan 0.000 0.569 192 N N 0.713 119.376 118.700 -0.062 0.000 2.094 192 N HA -0.215 4.525 4.740 -0.000 0.000 0.191 192 N C 2.107 177.473 175.510 -0.240 0.000 1.023 192 N CA 1.272 54.239 53.050 -0.137 0.000 0.857 192 N CB -0.623 37.749 38.487 -0.192 0.000 1.013 192 N HN 0.339 nan 8.380 nan 0.000 0.426 193 L N 1.810 122.715 121.223 -0.531 0.000 1.976 193 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 193 L C -1.369 175.402 176.870 -0.166 0.000 1.071 193 L CA 0.998 55.639 54.840 -0.333 0.000 0.746 193 L CB -1.187 40.642 42.059 -0.384 0.000 0.890 193 L HN 0.102 nan 8.230 nan 0.000 0.432 197 K N 0.469 120.712 120.400 -0.262 0.000 2.402 197 K HA 0.461 4.781 4.320 -0.000 0.000 0.203 197 K C 0.823 177.346 176.600 -0.127 0.000 1.077 197 K CA 0.777 56.841 56.287 -0.372 0.000 1.051 197 K CB 0.847 32.948 32.500 -0.665 0.000 0.907 197 K HN 0.242 nan 8.250 nan 0.000 0.554 198 A N 1.349 124.128 122.820 -0.069 0.000 2.713 198 A HA 0.630 4.950 4.320 -0.000 0.000 0.296 198 A C -0.151 177.440 177.584 0.013 0.000 1.255 198 A CA -0.316 51.712 52.037 -0.014 0.000 0.955 198 A CB 0.222 19.216 19.000 -0.011 0.000 1.149 198 A HN 0.158 nan 8.150 nan 0.000 0.538 199 A N -0.903 121.932 122.820 0.025 0.000 2.475 199 A HA 0.641 4.961 4.320 -0.000 0.000 0.301 199 A C 0.751 178.353 177.584 0.029 0.000 1.059 199 A CA -0.313 51.734 52.037 0.018 0.000 0.710 199 A CB 0.830 19.843 19.000 0.022 0.000 1.288 199 A HN 0.064 nan 8.150 nan 0.000 0.408 200 E N 0.641 120.804 120.200 -0.061 0.000 2.070 200 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 200 E C -0.001 176.511 176.600 -0.148 0.000 1.004 200 E CA 1.703 58.034 56.400 -0.115 0.000 0.805 200 E CB 0.081 29.661 29.700 -0.200 0.000 0.744 200 E HN 0.662 nan 8.360 nan 0.000 0.451 201 T N 0.829 115.217 114.554 -0.278 0.000 2.847 201 T HA 0.303 4.653 4.350 -0.000 0.000 0.291 201 T C -0.616 174.130 174.700 0.076 0.000 0.998 201 T CA -0.417 61.588 62.100 -0.158 0.000 0.967 201 T CB 1.902 70.368 68.868 -0.670 0.000 0.954 201 T HN -0.184 nan 8.240 nan 0.000 0.441 202 T N 3.164 117.920 114.554 0.338 0.000 2.767 202 T HA 0.532 4.882 4.350 -0.000 0.000 0.284 202 T C -0.157 174.593 174.700 0.084 0.000 0.973 202 T CA -0.505 61.637 62.100 0.070 0.000 0.996 202 T CB 0.874 69.616 68.868 -0.210 0.000 0.927 202 T HN 0.335 nan 8.240 nan 0.000 0.456 203 V N 4.415 124.384 119.914 0.092 0.000 2.407 203 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 203 V C -0.226 175.890 176.094 0.037 0.000 1.018 203 V CA -0.788 61.543 62.300 0.051 0.000 0.842 203 V CB 1.605 33.460 31.823 0.053 0.000 0.996 203 V HN 0.682 nan 8.190 nan 0.000 0.426 204 V N 4.987 124.909 119.914 0.014 0.000 2.459 204 V HA 0.538 4.658 4.120 -0.000 0.000 0.295 204 V C -0.109 176.009 176.094 0.039 0.000 1.029 204 V CA -0.633 61.689 62.300 0.036 0.000 0.874 204 V CB 1.952 33.784 31.823 0.015 0.000 0.985 204 V HN 1.059 nan 8.190 nan 0.000 0.438 205 E N 4.232 124.486 120.200 0.091 0.000 2.176 205 E HA 0.729 5.079 4.350 -0.000 0.000 0.267 205 E C -0.965 175.743 176.600 0.180 0.000 0.893 205 E CA -0.761 55.719 56.400 0.133 0.000 0.761 205 E CB 2.205 32.001 29.700 0.160 0.000 1.133 205 E HN 0.498 nan 8.360 nan 0.000 0.409 206 V N 0.306 120.325 119.914 0.176 0.000 2.919 206 V HA 0.378 4.498 4.120 -0.000 0.000 0.316 206 V C 0.630 176.850 176.094 0.209 0.000 1.077 206 V CA -0.776 61.614 62.300 0.150 0.000 0.977 206 V CB 1.684 33.553 31.823 0.076 0.000 1.039 206 V HN 0.867 nan 8.190 nan 0.000 0.441 207 E N 0.471 120.730 120.200 0.098 0.000 2.216 207 E HA 0.079 4.429 4.350 -0.000 0.000 0.192 207 E C 0.094 176.786 176.600 0.153 0.000 0.988 207 E CA 1.002 57.455 56.400 0.088 0.000 0.834 207 E CB 0.395 30.080 29.700 -0.026 0.000 0.772 207 E HN 0.810 nan 8.360 nan 0.000 0.479 208 E N -0.213 120.040 120.200 0.089 0.000 2.352 208 E HA 0.354 4.704 4.350 -0.000 0.000 0.280 208 E C -1.709 174.899 176.600 0.013 0.000 0.930 208 E CA -0.343 56.081 56.400 0.041 0.000 0.765 208 E CB 1.469 31.156 29.700 -0.021 0.000 1.219 208 E HN -0.080 nan 8.360 nan 0.000 0.434 209 I N 3.703 124.292 120.570 0.031 0.000 2.354 209 I HA 0.411 4.581 4.170 -0.000 0.000 0.286 209 I C -0.546 175.550 176.117 -0.035 0.000 1.007 209 I CA -1.019 60.307 61.300 0.044 0.000 1.167 209 I CB 1.546 39.626 38.000 0.133 0.000 1.320 209 I HN 0.271 nan 8.210 nan 0.000 0.458 210 V N 6.282 126.126 119.914 -0.117 0.000 2.850 210 V HA 0.403 4.523 4.120 -0.000 0.000 0.315 210 V C -0.744 175.216 176.094 -0.222 0.000 1.064 210 V CA -0.528 61.649 62.300 -0.205 0.000 0.979 210 V CB 2.316 33.935 31.823 -0.340 0.000 1.039 210 V HN 0.786 nan 8.190 nan 0.000 0.452 211 D N 3.873 124.150 120.400 -0.206 0.000 2.344 211 D HA 0.241 4.881 4.640 -0.000 0.000 0.244 211 D C 0.340 176.503 176.300 -0.227 0.000 1.134 211 D CA -0.369 53.523 54.000 -0.180 0.000 0.930 211 D CB 0.469 41.188 40.800 -0.135 0.000 1.175 211 D HN 0.484 nan 8.370 nan 0.000 0.437 212 I N 0.471 120.944 120.570 -0.161 0.000 2.906 212 I HA 0.124 4.294 4.170 -0.000 0.000 0.302 212 I C 1.765 177.794 176.117 -0.148 0.000 1.220 212 I CA 1.333 62.549 61.300 -0.140 0.000 1.441 212 I CB -0.200 37.755 38.000 -0.075 0.000 1.336 212 I HN 0.842 nan 8.210 nan 0.000 0.565 213 G N 3.485 112.196 108.800 -0.148 0.000 2.195 213 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.224 213 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.224 213 G C 0.891 175.694 174.900 -0.162 0.000 0.990 213 G CA 0.337 45.369 45.100 -0.114 0.000 0.639 213 G HN 0.577 nan 8.290 nan 0.000 0.514 214 S N -0.227 115.278 115.700 -0.325 0.000 2.428 214 S HA 0.328 4.798 4.470 -0.000 0.000 0.230 214 S C 0.650 175.079 174.600 -0.286 0.000 1.014 214 S CA 0.634 58.596 58.200 -0.397 0.000 0.957 214 S CB -0.064 62.739 63.200 -0.662 0.000 0.784 214 S HN 0.381 nan 8.310 nan 0.000 0.499 215 F N 1.346 121.239 119.950 -0.095 0.000 2.425 215 F HA 0.653 5.180 4.527 -0.000 0.000 0.331 215 F C 0.483 176.246 175.800 -0.060 0.000 1.085 215 F CA -2.340 55.601 58.000 -0.098 0.000 1.028 215 F CB 0.397 39.322 39.000 -0.126 0.000 1.177 215 F HN -0.101 nan 8.300 nan 0.000 0.487 216 A N 4.887 127.804 122.820 0.163 0.000 2.409 216 A HA 0.371 4.691 4.320 -0.000 0.000 0.267 216 A C -1.395 176.237 177.584 0.080 0.000 1.127 216 A CA -1.258 50.831 52.037 0.087 0.000 0.795 216 A CB -0.130 18.911 19.000 0.068 0.000 1.061 216 A HN 0.583 nan 8.150 nan 0.000 0.502 217 P HA -0.264 nan 4.420 nan 0.000 0.218 217 P C 0.777 178.101 177.300 0.039 0.000 1.150 217 P CA 1.726 64.857 63.100 0.051 0.000 0.841 217 P CB 0.160 31.883 31.700 0.037 0.000 0.784 218 E N 0.224 120.448 120.200 0.040 0.000 2.482 218 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 218 E C 1.259 177.890 176.600 0.052 0.000 1.047 218 E CA 0.716 57.141 56.400 0.041 0.000 0.869 218 E CB -0.884 28.839 29.700 0.038 0.000 0.836 218 E HN 0.494 nan 8.360 nan 0.000 0.520 219 D N 0.964 121.387 120.400 0.038 0.000 2.424 219 D HA 0.050 4.690 4.640 -0.000 0.000 0.220 219 D C 0.020 176.237 176.300 -0.138 0.000 1.150 219 D CA -0.416 53.603 54.000 0.032 0.000 0.831 219 D CB -0.014 40.805 40.800 0.032 0.000 0.981 219 D HN 0.066 nan 8.370 nan 0.000 0.500 220 I N 1.655 122.152 120.570 -0.122 0.000 2.379 220 I HA 0.063 4.233 4.170 -0.000 0.000 0.290 220 I C 1.304 177.380 176.117 -0.069 0.000 1.063 220 I CA -0.340 60.800 61.300 -0.267 0.000 1.351 220 I CB 0.780 38.707 38.000 -0.121 0.000 1.410 220 I HN 0.040 nan 8.210 nan 0.000 0.505 221 H N 6.229 125.232 119.070 -0.112 0.000 2.395 221 H HA 0.160 4.716 4.556 -0.000 0.000 0.299 221 H C 0.005 175.408 175.328 0.126 0.000 1.070 221 H CA 0.435 56.516 56.048 0.053 0.000 1.356 221 H CB 0.536 30.401 29.762 0.172 0.000 1.401 221 H HN 0.326 nan 8.280 nan 0.000 0.524 222 I N 2.439 123.106 120.570 0.162 0.000 2.542 222 I HA 0.170 4.340 4.170 -0.000 0.000 0.278 222 I C -2.522 173.678 176.117 0.138 0.000 1.069 222 I CA -2.496 58.932 61.300 0.213 0.000 1.100 222 I CB 1.741 39.880 38.000 0.232 0.000 1.204 222 I HN -0.098 nan 8.210 nan 0.000 0.470 223 P HA 0.054 nan 4.420 nan 0.000 0.266 223 P C 0.780 178.101 177.300 0.035 0.000 1.195 223 P CA -0.180 62.954 63.100 0.057 0.000 0.768 223 P CB 0.741 32.446 31.700 0.008 0.000 0.838 224 K N 3.130 123.542 120.400 0.021 0.000 2.189 224 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 224 K C 1.819 178.415 176.600 -0.007 0.000 1.046 224 K CA 1.584 57.886 56.287 0.025 0.000 0.928 224 K CB -0.967 31.562 32.500 0.049 0.000 0.720 224 K HN 0.351 nan 8.250 nan 0.000 0.458 225 I N 0.401 120.913 120.570 -0.097 0.000 2.623 225 I HA -0.270 3.900 4.170 -0.000 0.000 0.261 225 I C 1.119 177.150 176.117 -0.144 0.000 1.204 225 I CA 1.292 62.496 61.300 -0.159 0.000 1.444 225 I CB 0.055 37.871 38.000 -0.308 0.000 1.094 225 I HN 0.176 nan 8.210 nan 0.000 0.451 226 Y N -0.550 119.731 120.300 -0.032 0.000 2.497 226 Y HA 0.204 4.754 4.550 -0.000 0.000 0.265 226 Y C 0.937 176.637 175.900 -0.334 0.000 1.111 226 Y CA -0.168 57.848 58.100 -0.140 0.000 1.288 226 Y CB -0.043 38.372 38.460 -0.074 0.000 1.082 226 Y HN -0.213 nan 8.280 nan 0.000 0.536 227 V N 2.594 122.486 119.914 -0.038 0.000 2.313 227 V HA 0.034 4.154 4.120 -0.000 0.000 0.252 227 V C 0.794 176.868 176.094 -0.033 0.000 1.112 227 V CA -0.308 61.940 62.300 -0.087 0.000 0.984 227 V CB -0.145 31.656 31.823 -0.036 0.000 1.157 227 V HN 0.378 nan 8.190 nan 0.000 0.493 228 H N 3.703 122.805 119.070 0.054 0.000 2.307 228 H HA 0.153 4.709 4.556 -0.000 0.000 0.303 228 H C 0.889 176.260 175.328 0.071 0.000 1.073 228 H CA 0.971 57.052 56.048 0.055 0.000 1.338 228 H CB 0.281 30.070 29.762 0.044 0.000 1.389 228 H HN 0.446 nan 8.280 nan 0.000 0.503 229 R N 0.389 120.989 120.500 0.167 0.000 2.561 229 R HA 0.455 4.795 4.340 -0.000 0.000 0.297 229 R C -1.307 174.991 176.300 -0.004 0.000 0.969 229 R CA -0.827 55.359 56.100 0.143 0.000 0.879 229 R CB 2.513 32.844 30.300 0.051 0.000 1.178 229 R HN -0.038 nan 8.270 nan 0.000 0.445 230 L N 2.900 124.086 121.223 -0.061 0.000 2.386 230 L HA 0.700 5.040 4.340 -0.000 0.000 0.271 230 L C -1.424 175.419 176.870 -0.044 0.000 0.993 230 L CA -0.812 53.911 54.840 -0.194 0.000 0.819 230 L CB 2.205 43.906 42.059 -0.596 0.000 1.294 230 L HN 0.448 nan 8.230 nan 0.000 0.414 231 V N 4.610 124.531 119.914 0.012 0.000 2.932 231 V HA 0.485 4.605 4.120 -0.000 0.000 0.307 231 V C -1.109 175.052 176.094 0.112 0.000 1.147 231 V CA -0.819 61.542 62.300 0.103 0.000 0.951 231 V CB 2.143 34.019 31.823 0.088 0.000 1.031 231 V HN 0.906 nan 8.190 nan 0.000 0.426 232 K N 4.532 125.018 120.400 0.143 0.000 2.258 232 K HA 0.590 4.910 4.320 -0.000 0.000 0.284 232 K C 0.348 177.037 176.600 0.149 0.000 1.051 232 K CA 0.162 56.547 56.287 0.164 0.000 0.923 232 K CB 0.961 33.557 32.500 0.159 0.000 1.046 232 K HN 1.035 nan 8.250 nan 0.000 0.474 233 G N 3.337 112.270 108.800 0.222 0.000 2.380 233 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.242 233 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.242 233 G C 0.172 175.019 174.900 -0.088 0.000 1.298 233 G CA -0.280 44.820 45.100 0.000 0.000 0.878 233 G HN 0.892 nan 8.290 nan 0.000 0.542 234 E N 0.657 120.759 120.200 -0.163 0.000 2.190 234 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 234 E C 0.925 177.440 176.600 -0.141 0.000 0.978 234 E CA 0.629 56.974 56.400 -0.092 0.000 0.839 234 E CB 0.309 29.977 29.700 -0.052 0.000 0.787 234 E HN 0.487 nan 8.360 nan 0.000 0.473 235 K N 0.306 120.522 120.400 -0.307 0.000 2.541 235 K HA 0.250 4.570 4.320 -0.000 0.000 0.250 235 K C -2.002 174.364 176.600 -0.390 0.000 0.950 235 K CA -0.457 55.696 56.287 -0.223 0.000 0.805 235 K CB 1.086 33.530 32.500 -0.093 0.000 1.166 235 K HN -0.175 nan 8.250 nan 0.000 0.430 236 Y N 2.636 122.992 120.300 0.094 0.000 2.332 236 Y HA 0.160 4.710 4.550 -0.000 0.000 0.326 236 Y C 0.387 176.341 175.900 0.089 0.000 0.978 236 Y CA -0.795 57.371 58.100 0.110 0.000 1.205 236 Y CB 1.892 40.413 38.460 0.102 0.000 1.131 236 Y HN 0.640 nan 8.280 nan 0.000 0.462 237 E N 1.735 122.074 120.200 0.233 0.000 2.444 237 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 237 E C -0.107 176.519 176.600 0.044 0.000 1.041 237 E CA -0.248 56.212 56.400 0.099 0.000 0.883 237 E CB 0.130 29.842 29.700 0.020 0.000 1.024 237 E HN 0.265 nan 8.360 nan 0.000 0.470 238 K N 1.471 121.937 120.400 0.111 0.000 3.264 238 K HA -0.230 4.090 4.320 -0.000 0.000 0.267 238 K C -0.044 176.541 176.600 -0.026 0.000 0.886 238 K CA 0.657 56.975 56.287 0.053 0.000 0.665 238 K CB -1.552 30.966 32.500 0.031 0.000 1.447 238 K HN 0.277 nan 8.250 nan 0.000 0.464 239 R N 0.971 121.405 120.500 -0.110 0.000 2.502 239 R HA 0.121 4.461 4.340 -0.000 0.000 0.292 239 R C 0.162 176.395 176.300 -0.110 0.000 0.998 239 R CA 0.440 56.388 56.100 -0.254 0.000 1.056 239 R CB 0.185 30.042 30.300 -0.738 0.000 0.939 239 R HN 0.297 nan 8.270 nan 0.000 0.411 240 I N 4.591 125.105 120.570 -0.093 0.000 2.355 240 I HA 0.120 4.290 4.170 -0.000 0.000 0.288 240 I C 1.148 177.241 176.117 -0.041 0.000 0.999 240 I CA -0.377 60.897 61.300 -0.042 0.000 1.163 240 I CB 1.822 39.803 38.000 -0.033 0.000 1.316 240 I HN 0.811 nan 8.210 nan 0.000 0.454 241 E N 6.278 126.470 120.200 -0.013 0.000 2.047 241 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 241 E C 0.194 176.789 176.600 -0.009 0.000 0.987 241 E CA 1.112 57.508 56.400 -0.006 0.000 0.799 241 E CB 0.477 30.187 29.700 0.017 0.000 0.752 241 E HN 0.495 nan 8.360 nan 0.000 0.449 242 R N 0.623 121.119 120.500 -0.008 0.000 2.502 242 R HA 0.292 4.632 4.340 -0.000 0.000 0.298 242 R C -1.539 174.737 176.300 -0.039 0.000 1.018 242 R CA -0.755 55.332 56.100 -0.022 0.000 0.899 242 R CB 1.656 31.948 30.300 -0.014 0.000 1.181 242 R HN 0.040 nan 8.270 nan 0.000 0.444 243 L N 2.190 123.380 121.223 -0.054 0.000 2.278 243 L HA 0.340 4.680 4.340 -0.000 0.000 0.287 243 L C -0.684 176.114 176.870 -0.119 0.000 1.072 243 L CA 0.404 55.205 54.840 -0.066 0.000 0.819 243 L CB 1.454 43.482 42.059 -0.052 0.000 1.176 243 L HN 0.489 nan 8.230 nan 0.000 0.435 244 S N 4.326 119.930 115.700 -0.161 0.000 2.718 244 S HA 0.638 5.108 4.470 -0.000 0.000 0.294 244 S C -0.530 173.943 174.600 -0.211 0.000 1.157 244 S CA -0.543 57.455 58.200 -0.337 0.000 1.121 244 S CB 1.100 63.871 63.200 -0.715 0.000 1.015 244 S HN 0.381 nan 8.310 nan 0.000 0.479 245 V N 3.745 123.581 119.914 -0.131 0.000 2.994 245 V HA 0.704 4.824 4.120 -0.000 0.000 0.318 245 V C 0.057 176.156 176.094 0.007 0.000 1.085 245 V CA -1.164 61.121 62.300 -0.026 0.000 0.998 245 V CB 2.043 33.854 31.823 -0.019 0.000 1.063 245 V HN 0.856 nan 8.190 nan 0.000 0.447 246 R N 1.071 121.604 120.500 0.055 0.000 2.795 246 R HA 0.719 5.059 4.340 -0.000 0.000 0.275 246 R C -1.300 175.020 176.300 0.033 0.000 0.981 246 R CA -1.022 55.116 56.100 0.063 0.000 0.917 246 R CB 2.092 32.458 30.300 0.110 0.000 1.202 246 R HN 0.564 nan 8.270 nan 0.000 0.469 247 K N 1.027 121.440 120.400 0.023 0.000 2.130 247 K HA 0.113 4.433 4.320 -0.000 0.000 0.268 247 K C -0.567 176.038 176.600 0.008 0.000 0.983 247 K CA -0.610 55.684 56.287 0.012 0.000 0.893 247 K CB 1.798 34.302 32.500 0.007 0.000 1.066 247 K HN 0.608 nan 8.250 nan 0.000 0.450 248 E N 3.255 123.458 120.200 0.004 0.000 2.346 248 E HA -0.054 4.296 4.350 -0.000 0.000 0.317 248 E C -0.495 176.103 176.600 -0.004 0.000 1.404 248 E CA 0.140 56.539 56.400 -0.001 0.000 1.534 248 E CB -0.184 29.515 29.700 -0.001 0.000 1.309 248 E HN 0.663 nan 8.360 nan 0.000 0.499 249 E N 0.850 121.048 120.200 -0.005 0.000 2.524 249 E HA 0.062 4.412 4.350 -0.000 0.000 0.136 249 E C -0.635 175.961 176.600 -0.008 0.000 0.846 249 E CA -0.443 55.953 56.400 -0.006 0.000 1.374 249 E CB 0.022 29.720 29.700 -0.003 0.000 1.087 249 E HN 0.070 nan 8.360 nan 0.000 0.513 261 N N -0.402 118.278 118.700 -0.034 0.000 2.482 261 N HA 0.066 4.806 4.740 -0.000 0.000 0.179 261 N C 2.041 177.482 175.510 -0.114 0.000 1.039 261 N CA 1.012 54.029 53.050 -0.055 0.000 0.884 261 N CB 1.146 39.607 38.487 -0.044 0.000 1.113 261 N HN 0.257 nan 8.380 nan 0.000 0.440 262 V N -0.308 119.529 119.914 -0.128 0.000 2.871 262 V HA 0.006 4.126 4.120 -0.000 0.000 0.256 262 V C 2.081 178.098 176.094 -0.129 0.000 1.082 262 V CA 1.156 63.349 62.300 -0.178 0.000 1.105 262 V CB -0.550 31.182 31.823 -0.151 0.000 0.713 262 V HN 0.205 nan 8.190 nan 0.000 0.473 263 R N 0.668 121.120 120.500 -0.080 0.000 2.100 263 R HA -0.049 4.291 4.340 -0.000 0.000 0.220 263 R C 2.395 178.659 176.300 -0.059 0.000 1.091 263 R CA 1.393 57.462 56.100 -0.051 0.000 0.986 263 R CB -0.352 29.937 30.300 -0.019 0.000 0.888 263 R HN 0.675 nan 8.270 nan 0.000 0.444 264 E N 0.479 120.641 120.200 -0.063 0.000 2.072 264 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 264 E C 1.994 178.519 176.600 -0.125 0.000 0.985 264 E CA 0.987 57.343 56.400 -0.074 0.000 0.801 264 E CB 0.114 29.790 29.700 -0.041 0.000 0.750 264 E HN 0.296 nan 8.360 nan 0.000 0.452 265 R N 0.206 120.626 120.500 -0.134 0.000 2.070 265 R HA -0.098 4.242 4.340 -0.000 0.000 0.233 265 R C 2.518 178.734 176.300 -0.140 0.000 1.137 265 R CA 1.716 57.724 56.100 -0.153 0.000 0.945 265 R CB -0.238 29.895 30.300 -0.278 0.000 0.845 265 R HN 0.259 nan 8.270 nan 0.000 0.430 266 I N 0.358 120.850 120.570 -0.130 0.000 2.226 266 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 266 I C 2.175 178.235 176.117 -0.094 0.000 1.100 266 I CA 1.363 62.606 61.300 -0.096 0.000 1.374 266 I CB -0.320 37.639 38.000 -0.070 0.000 1.057 266 I HN 0.182 nan 8.210 nan 0.000 0.413 267 I N 0.791 121.298 120.570 -0.105 0.000 2.163 267 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 267 I C 2.441 178.425 176.117 -0.221 0.000 1.085 267 I CA 1.610 62.840 61.300 -0.116 0.000 1.347 267 I CB -0.397 37.542 38.000 -0.101 0.000 1.044 267 I HN 0.179 nan 8.210 nan 0.000 0.408 268 K N 0.098 120.309 120.400 -0.314 0.000 2.283 268 K HA -0.180 4.140 4.320 -0.000 0.000 0.202 268 K C 2.184 178.681 176.600 -0.172 0.000 1.048 268 K CA 0.812 56.880 56.287 -0.365 0.000 0.948 268 K CB -0.062 32.236 32.500 -0.335 0.000 0.742 268 K HN 0.101 nan 8.250 nan 0.000 0.458 269 R N 1.236 121.664 120.500 -0.119 0.000 2.080 269 R HA 0.083 4.423 4.340 -0.000 0.000 0.222 269 R C 1.864 178.113 176.300 -0.084 0.000 1.107 269 R CA 1.421 57.476 56.100 -0.074 0.000 0.980 269 R CB -0.599 29.669 30.300 -0.054 0.000 0.879 269 R HN 0.062 nan 8.270 nan 0.000 0.439 270 A N 0.638 123.400 122.820 -0.096 0.000 2.019 270 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 270 A C 2.268 179.746 177.584 -0.177 0.000 1.164 270 A CA 1.477 53.437 52.037 -0.129 0.000 0.644 270 A CB -0.881 18.061 19.000 -0.097 0.000 0.805 270 A HN 0.474 nan 8.150 nan 0.000 0.449 271 A N -0.514 122.275 122.820 -0.050 0.000 2.070 271 A HA 0.060 4.380 4.320 -0.000 0.000 0.220 271 A C 1.876 179.522 177.584 0.103 0.000 1.159 271 A CA 1.108 53.228 52.037 0.139 0.000 0.656 271 A CB -0.464 18.644 19.000 0.180 0.000 0.800 271 A HN 0.475 nan 8.150 nan 0.000 0.453 272 L N -0.470 120.741 121.223 -0.021 0.000 2.599 272 L HA 0.004 4.344 4.340 -0.000 0.000 0.230 272 L C 1.683 178.512 176.870 -0.068 0.000 1.141 272 L CA 0.206 55.039 54.840 -0.010 0.000 0.877 272 L CB -0.091 41.957 42.059 -0.019 0.000 1.009 272 L HN 0.295 nan 8.230 nan 0.000 0.447 273 E N -0.115 119.956 120.200 -0.215 0.000 2.435 273 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 273 E C 0.097 176.548 176.600 -0.249 0.000 1.029 273 E CA 0.219 56.463 56.400 -0.260 0.000 0.865 273 E CB 0.128 29.610 29.700 -0.362 0.000 0.833 273 E HN 0.192 nan 8.360 nan 0.000 0.510 274 F N 1.813 121.760 119.950 -0.005 0.000 2.443 274 F HA 0.164 4.691 4.527 -0.000 0.000 0.353 274 F C 1.009 176.794 175.800 -0.025 0.000 1.101 274 F CA 0.007 57.996 58.000 -0.017 0.000 1.226 274 F CB 0.606 39.594 39.000 -0.019 0.000 1.140 274 F HN -0.254 nan 8.300 nan 0.000 0.557 275 E N 0.366 120.665 120.200 0.164 0.000 2.336 275 E HA 0.204 4.554 4.350 -0.000 0.000 0.267 275 E C -1.539 175.071 176.600 0.018 0.000 0.906 275 E CA -1.193 55.248 56.400 0.068 0.000 0.781 275 E CB 1.816 31.541 29.700 0.041 0.000 1.261 275 E HN 0.413 nan 8.360 nan 0.000 0.436 276 D N 0.540 120.932 120.400 -0.013 0.000 2.425 276 D HA 0.338 4.978 4.640 -0.000 0.000 0.247 276 D C 0.346 176.593 176.300 -0.088 0.000 1.147 276 D CA 1.749 55.711 54.000 -0.063 0.000 0.879 276 D CB 0.448 41.220 40.800 -0.046 0.000 1.179 276 D HN 0.649 nan 8.370 nan 0.000 0.456 280 A N 2.683 125.634 122.820 0.219 0.000 2.454 280 A HA 0.761 5.081 4.320 -0.000 0.000 0.302 280 A C -1.504 176.175 177.584 0.158 0.000 1.079 280 A CA -0.853 51.298 52.037 0.190 0.000 0.731 280 A CB 1.929 21.081 19.000 0.253 0.000 1.299 280 A HN 0.599 nan 8.150 nan 0.000 0.413 281 N N 1.807 120.583 118.700 0.126 0.000 2.442 281 N HA 0.460 5.200 4.740 -0.000 0.000 0.274 281 N C -1.664 173.906 175.510 0.100 0.000 1.002 281 N CA -0.207 52.900 53.050 0.094 0.000 0.910 281 N CB 0.866 39.392 38.487 0.064 0.000 1.244 281 N HN 0.596 nan 8.380 nan 0.000 0.492 282 L N 2.461 123.747 121.223 0.105 0.000 2.272 282 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 282 L C 1.447 178.370 176.870 0.088 0.000 1.032 282 L CA -1.003 53.903 54.840 0.111 0.000 0.810 282 L CB 1.467 43.616 42.059 0.150 0.000 1.205 282 L HN 0.444 nan 8.230 nan 0.000 0.422 283 G N 3.037 111.885 108.800 0.081 0.000 2.667 283 G HA2 0.352 4.312 3.960 -0.000 0.000 0.250 283 G HA3 0.352 4.312 3.960 -0.000 0.000 0.250 283 G C 0.147 175.093 174.900 0.076 0.000 1.212 283 G CA -0.709 44.435 45.100 0.074 0.000 0.874 283 G HN 0.699 nan 8.290 nan 0.000 0.561 284 I N -0.650 119.962 120.570 0.069 0.000 2.692 284 I HA 0.528 4.698 4.170 -0.000 0.000 0.284 284 I C 1.038 177.199 176.117 0.074 0.000 1.159 284 I CA 0.342 61.687 61.300 0.074 0.000 1.423 284 I CB 0.312 38.348 38.000 0.060 0.000 1.380 284 I HN 1.152 nan 8.210 nan 0.000 0.580 285 G N 4.472 113.323 108.800 0.085 0.000 2.826 285 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.233 285 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.233 285 G C 0.407 175.357 174.900 0.084 0.000 1.296 285 G CA 0.030 45.178 45.100 0.080 0.000 1.001 285 G HN 0.674 nan 8.290 nan 0.000 0.576 286 I N 3.387 123.997 120.570 0.067 0.000 2.091 286 I HA -0.125 4.045 4.170 -0.000 0.000 0.239 286 I C 0.619 176.784 176.117 0.080 0.000 1.061 286 I CA 2.464 63.801 61.300 0.062 0.000 1.317 286 I CB -1.143 36.876 38.000 0.032 0.000 1.031 286 I HN 0.447 nan 8.210 nan 0.000 0.401 287 P HA -0.212 nan 4.420 nan 0.000 0.216 287 P C 1.869 179.262 177.300 0.155 0.000 1.150 287 P CA 1.541 64.696 63.100 0.092 0.000 0.843 287 P CB -0.093 31.649 31.700 0.069 0.000 0.787 288 L N -0.549 120.751 121.223 0.128 0.000 2.072 288 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 288 L C 2.597 179.543 176.870 0.127 0.000 1.079 288 L CA 1.485 56.397 54.840 0.120 0.000 0.752 288 L CB -1.545 40.570 42.059 0.093 0.000 0.906 288 L HN -0.185 nan 8.230 nan 0.000 0.436 289 L N -0.547 120.761 121.223 0.143 0.000 2.131 289 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 289 L C 2.635 179.669 176.870 0.274 0.000 1.092 289 L CA 1.038 55.984 54.840 0.178 0.000 0.759 289 L CB -0.899 41.265 42.059 0.176 0.000 0.903 289 L HN 0.374 nan 8.230 nan 0.000 0.435 290 A N 0.249 123.231 122.820 0.269 0.000 1.978 290 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 290 A C 2.508 180.387 177.584 0.490 0.000 1.170 290 A CA 1.969 54.225 52.037 0.366 0.000 0.636 290 A CB -0.695 18.471 19.000 0.277 0.000 0.810 290 A HN 0.543 nan 8.150 nan 0.000 0.448 291 S N 0.333 116.223 115.700 0.316 0.000 2.442 291 S HA -0.168 4.302 4.470 -0.000 0.000 0.236 291 S C 1.535 176.080 174.600 -0.091 0.000 1.007 291 S CA 1.218 59.373 58.200 -0.076 0.000 0.965 291 S CB -0.687 62.422 63.200 -0.152 0.000 0.773 291 S HN 0.610 nan 8.310 nan 0.000 0.504 292 N N 0.837 119.552 118.700 0.026 0.000 2.381 292 N HA 0.041 4.781 4.740 -0.000 0.000 0.182 292 N C 0.381 175.729 175.510 -0.270 0.000 1.025 292 N CA 0.963 53.925 53.050 -0.146 0.000 0.888 292 N CB -0.351 38.020 38.487 -0.195 0.000 0.965 292 N HN 0.535 nan 8.380 nan 0.000 0.438 293 F N 0.898 120.843 119.950 -0.008 0.000 2.693 293 F HA 0.326 4.853 4.527 -0.000 0.000 0.303 293 F C 0.890 176.686 175.800 -0.007 0.000 1.097 293 F CA -0.420 57.586 58.000 0.010 0.000 1.330 293 F CB -0.087 38.944 39.000 0.052 0.000 1.067 293 F HN -0.179 nan 8.300 nan 0.000 0.565 294 I N 0.596 121.187 120.570 0.034 0.000 2.662 294 I HA -0.097 4.073 4.170 -0.000 0.000 0.285 294 I C 1.112 177.198 176.117 -0.051 0.000 1.161 294 I CA -0.040 61.224 61.300 -0.061 0.000 1.415 294 I CB 0.300 38.108 38.000 -0.320 0.000 1.385 294 I HN -0.022 nan 8.210 nan 0.000 0.552 295 S N 9.311 125.006 115.700 -0.007 0.000 2.593 295 S HA 0.033 4.503 4.470 -0.000 0.000 0.300 295 S C -0.627 173.940 174.600 -0.055 0.000 1.267 295 S CA -1.020 57.170 58.200 -0.016 0.000 1.065 295 S CB 0.569 63.769 63.200 0.000 0.000 0.807 295 S HN 0.536 nan 8.310 nan 0.000 0.499 296 P HA -0.048 nan 4.420 nan 0.000 0.225 296 P C -0.019 177.246 177.300 -0.059 0.000 1.148 296 P CA 0.650 63.710 63.100 -0.066 0.000 0.779 296 P CB 0.023 31.689 31.700 -0.056 0.000 0.780 300 V N 3.299 122.941 119.914 -0.454 0.000 2.680 300 V HA 0.772 4.892 4.120 -0.000 0.000 0.309 300 V C -0.812 174.973 176.094 -0.514 0.000 1.052 300 V CA -0.759 61.253 62.300 -0.480 0.000 0.908 300 V CB 1.836 33.463 31.823 -0.327 0.000 1.001 300 V HN 0.918 nan 8.190 nan 0.000 0.431 301 H N 4.954 123.870 119.070 -0.257 0.000 2.519 301 H HA 0.554 5.110 4.556 -0.000 0.000 0.316 301 H C -0.542 174.759 175.328 -0.046 0.000 1.065 301 H CA -0.490 55.453 56.048 -0.176 0.000 1.264 301 H CB 1.723 31.322 29.762 -0.273 0.000 1.413 301 H HN 0.627 nan 8.280 nan 0.000 0.465 302 L N 3.039 124.311 121.223 0.082 0.000 2.275 302 L HA 0.227 4.567 4.340 -0.000 0.000 0.288 302 L C 0.679 177.604 176.870 0.092 0.000 1.046 302 L CA -0.413 54.469 54.840 0.069 0.000 0.805 302 L CB 1.246 43.306 42.059 0.002 0.000 1.193 302 L HN 0.396 nan 8.230 nan 0.000 0.426 303 Q N 2.260 122.125 119.800 0.109 0.000 2.241 303 Q HA 0.317 4.657 4.340 -0.000 0.000 0.254 303 Q C -1.142 174.874 176.000 0.028 0.000 0.917 303 Q CA -0.141 55.719 55.803 0.095 0.000 0.919 303 Q CB 2.100 30.905 28.738 0.111 0.000 1.237 303 Q HN 0.572 nan 8.270 nan 0.000 0.434 304 S N 2.674 118.361 115.700 -0.020 0.000 2.498 304 S HA 0.173 4.643 4.470 -0.000 0.000 0.317 304 S C 0.512 175.011 174.600 -0.168 0.000 1.090 304 S CA -0.480 57.669 58.200 -0.086 0.000 1.089 304 S CB 0.783 63.917 63.200 -0.110 0.000 0.997 304 S HN 0.644 nan 8.310 nan 0.000 0.470 305 E N 2.880 122.973 120.200 -0.178 0.000 2.147 305 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 305 E C 1.171 177.574 176.600 -0.327 0.000 1.005 305 E CA 1.399 57.631 56.400 -0.279 0.000 0.810 305 E CB -0.294 29.373 29.700 -0.056 0.000 0.736 305 E HN 0.738 nan 8.360 nan 0.000 0.460 306 N N 0.704 119.086 118.700 -0.531 0.000 2.567 306 N HA -0.021 4.719 4.740 -0.000 0.000 0.195 306 N C 0.675 175.889 175.510 -0.493 0.000 1.242 306 N CA 0.950 53.516 53.050 -0.808 0.000 0.884 306 N CB 0.532 38.041 38.487 -1.631 0.000 1.007 306 N HN 0.262 nan 8.380 nan 0.000 0.450 307 G N 0.246 108.786 108.800 -0.432 0.000 2.392 307 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.215 307 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.215 307 G C -0.613 173.650 174.900 -1.062 0.000 1.097 307 G CA -0.246 44.443 45.100 -0.685 0.000 0.840 307 G HN 0.383 nan 8.290 nan 0.000 0.492 308 I N -0.700 119.380 120.570 -0.816 0.000 2.802 308 I HA 0.675 4.845 4.170 -0.000 0.000 0.298 308 I C -0.869 175.111 176.117 -0.228 0.000 1.176 308 I CA -1.368 59.589 61.300 -0.572 0.000 1.025 308 I CB 2.235 40.103 38.000 -0.220 0.000 1.243 308 I HN 0.082 nan 8.210 nan 0.000 0.424 309 L N 4.386 125.534 121.223 -0.125 0.000 2.406 309 L HA 0.797 5.137 4.340 -0.000 0.000 0.270 309 L C 0.135 176.986 176.870 -0.032 0.000 0.982 309 L CA 0.182 55.069 54.840 0.079 0.000 0.843 309 L CB 1.381 43.589 42.059 0.249 0.000 1.225 309 L HN 0.842 nan 8.230 nan 0.000 0.412 310 G N 4.509 113.313 108.800 0.007 0.000 2.237 310 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.153 310 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.153 310 G C -0.313 174.560 174.900 -0.045 0.000 1.039 310 G CA -0.149 44.950 45.100 -0.002 0.000 0.719 310 G HN 0.864 nan 8.290 nan 0.000 0.491 311 L N -0.569 120.628 121.223 -0.043 0.000 2.456 311 L HA 0.712 5.052 4.340 -0.000 0.000 0.272 311 L C 1.102 177.929 176.870 -0.072 0.000 1.189 311 L CA -0.036 54.770 54.840 -0.057 0.000 0.846 311 L CB 0.283 42.313 42.059 -0.048 0.000 1.111 311 L HN 0.229 nan 8.230 nan 0.000 0.475 312 G N 1.541 110.295 108.800 -0.076 0.000 2.857 312 G HA2 0.669 4.629 3.960 -0.000 0.000 0.217 312 G HA3 0.669 4.629 3.960 -0.000 0.000 0.217 312 G C -2.548 172.266 174.900 -0.143 0.000 1.357 312 G CA -0.957 44.086 45.100 -0.095 0.000 1.033 312 G HN 0.622 nan 8.290 nan 0.000 0.571 313 P HA 0.235 nan 4.420 nan 0.000 0.279 313 P C -0.997 176.214 177.300 -0.149 0.000 1.282 313 P CA -0.491 62.480 63.100 -0.213 0.000 0.788 313 P CB 0.575 32.196 31.700 -0.133 0.000 1.139 314 Y N 0.106 120.397 120.300 -0.016 0.000 2.578 314 Y HA 0.106 4.656 4.550 -0.000 0.000 0.339 314 Y C -1.254 174.640 175.900 -0.010 0.000 1.231 314 Y CA -1.721 56.374 58.100 -0.008 0.000 1.461 314 Y CB -1.199 37.258 38.460 -0.006 0.000 1.323 314 Y HN 0.299 nan 8.280 nan 0.000 0.590 315 P HA 0.115 nan 4.420 nan 0.000 0.274 315 P C -0.465 176.874 177.300 0.064 0.000 1.231 315 P CA -0.131 63.020 63.100 0.085 0.000 0.790 315 P CB 1.104 32.843 31.700 0.064 0.000 0.951 316 L N 1.316 122.562 121.223 0.039 0.000 2.475 316 L HA 0.078 4.418 4.340 -0.000 0.000 0.253 316 L C 2.402 179.283 176.870 0.018 0.000 1.198 316 L CA -0.267 54.589 54.840 0.026 0.000 0.814 316 L CB 0.009 42.078 42.059 0.017 0.000 1.134 316 L HN 0.376 nan 8.230 nan 0.000 0.478 317 Q N 1.702 121.509 119.800 0.011 0.000 2.082 317 Q HA -0.256 4.084 4.340 -0.000 0.000 0.211 317 Q C 1.349 177.352 176.000 0.006 0.000 1.002 317 Q CA 2.418 58.224 55.803 0.005 0.000 0.868 317 Q CB -0.241 28.499 28.738 0.003 0.000 0.931 317 Q HN 0.718 nan 8.270 nan 0.000 0.414 318 N N -0.553 118.151 118.700 0.007 0.000 2.421 318 N HA -0.056 4.684 4.740 -0.000 0.000 0.201 318 N C 0.181 175.696 175.510 0.008 0.000 1.198 318 N CA 0.478 53.532 53.050 0.007 0.000 0.838 318 N CB 0.244 38.735 38.487 0.007 0.000 1.011 318 N HN 0.453 nan 8.380 nan 0.000 0.463 319 E N -0.153 120.053 120.200 0.010 0.000 2.514 319 E HA 0.082 4.432 4.350 -0.000 0.000 0.215 319 E C -0.066 176.541 176.600 0.012 0.000 0.946 319 E CA -0.260 56.147 56.400 0.012 0.000 1.038 319 E CB 1.200 30.911 29.700 0.018 0.000 1.069 319 E HN 0.091 nan 8.360 nan 0.000 0.503 320 V N 2.252 122.173 119.914 0.010 0.000 2.617 320 V HA 0.001 4.121 4.120 -0.000 0.000 0.304 320 V C -0.727 175.365 176.094 -0.004 0.000 1.040 320 V CA 0.721 63.025 62.300 0.007 0.000 1.149 320 V CB 0.866 32.690 31.823 0.001 0.000 0.914 320 V HN 0.091 nan 8.190 nan 0.000 0.487 321 D N 4.620 125.015 120.400 -0.008 0.000 2.890 321 D HA 0.488 5.128 4.640 -0.000 0.000 0.233 321 D C 0.455 176.737 176.300 -0.029 0.000 1.306 321 D CA 0.109 54.092 54.000 -0.029 0.000 0.929 321 D CB 2.061 42.833 40.800 -0.047 0.000 1.512 321 D HN 0.620 nan 8.370 nan 0.000 0.568 322 A N 3.300 126.101 122.820 -0.030 0.000 2.131 322 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 322 A C 1.266 178.834 177.584 -0.027 0.000 1.158 322 A CA 1.176 53.203 52.037 -0.017 0.000 0.665 322 A CB -0.021 18.974 19.000 -0.008 0.000 0.795 322 A HN 0.548 nan 8.150 nan 0.000 0.460 323 D N -1.079 119.274 120.400 -0.079 0.000 2.340 323 D HA 0.123 4.763 4.640 -0.000 0.000 0.220 323 D C 0.115 176.334 176.300 -0.136 0.000 1.039 323 D CA 0.383 54.307 54.000 -0.126 0.000 0.866 323 D CB 0.228 40.891 40.800 -0.228 0.000 0.913 323 D HN 0.342 nan 8.370 nan 0.000 0.523 324 L N 2.029 123.209 121.223 -0.073 0.000 2.353 324 L HA 0.399 4.739 4.340 -0.000 0.000 0.270 324 L C -0.838 176.047 176.870 0.026 0.000 1.003 324 L CA -0.472 54.348 54.840 -0.033 0.000 0.862 324 L CB 0.749 42.807 42.059 -0.003 0.000 1.221 324 L HN -0.148 nan 8.230 nan 0.000 0.430 325 I N 0.678 121.274 120.570 0.043 0.000 2.969 325 I HA 0.576 4.746 4.170 -0.000 0.000 0.307 325 I C -0.818 175.352 176.117 0.089 0.000 1.149 325 I CA -0.990 60.364 61.300 0.091 0.000 1.008 325 I CB 2.185 40.264 38.000 0.132 0.000 1.232 325 I HN 0.427 nan 8.210 nan 0.000 0.435 326 N N 2.889 121.660 118.700 0.118 0.000 2.418 326 N HA 0.457 5.197 4.740 -0.000 0.000 0.283 326 N C 0.885 176.491 175.510 0.162 0.000 1.267 326 N CA -0.089 53.016 53.050 0.092 0.000 0.975 326 N CB 0.498 39.045 38.487 0.099 0.000 1.167 326 N HN 0.804 nan 8.380 nan 0.000 0.581 327 A N -1.167 121.730 122.820 0.129 0.000 2.019 327 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 327 A C 1.810 179.562 177.584 0.280 0.000 1.164 327 A CA 1.487 53.676 52.037 0.255 0.000 0.644 327 A CB -1.532 17.558 19.000 0.150 0.000 0.805 327 A HN 0.800 nan 8.150 nan 0.000 0.449 328 G N -1.555 107.344 108.800 0.166 0.000 3.124 328 G HA2 0.251 4.211 3.960 -0.000 0.000 0.212 328 G HA3 0.251 4.211 3.960 -0.000 0.000 0.212 328 G C 0.648 175.608 174.900 0.101 0.000 1.181 328 G CA 0.402 45.562 45.100 0.100 0.000 0.803 328 G HN 0.497 nan 8.290 nan 0.000 0.529 329 K N -0.848 119.652 120.400 0.166 0.000 3.209 329 K HA -0.174 4.146 4.320 -0.000 0.000 0.289 329 K C 0.065 176.724 176.600 0.097 0.000 1.191 329 K CA 0.976 57.340 56.287 0.130 0.000 0.851 329 K CB -1.065 31.461 32.500 0.044 0.000 1.242 329 K HN 0.569 nan 8.250 nan 0.000 0.480 330 E N 0.822 121.091 120.200 0.114 0.000 2.277 330 E HA 0.165 4.515 4.350 -0.000 0.000 0.274 330 E C 0.175 176.841 176.600 0.110 0.000 1.022 330 E CA -0.363 56.089 56.400 0.087 0.000 0.853 330 E CB 0.997 30.771 29.700 0.124 0.000 1.086 330 E HN 0.221 nan 8.360 nan 0.000 0.397 331 T N -0.613 113.981 114.554 0.067 0.000 2.888 331 T HA 0.285 4.635 4.350 -0.000 0.000 0.301 331 T C 0.285 175.082 174.700 0.162 0.000 1.001 331 T CA -0.702 61.446 62.100 0.080 0.000 1.147 331 T CB 0.331 69.221 68.868 0.037 0.000 0.931 331 T HN 0.143 nan 8.240 nan 0.000 0.541 332 V N 1.854 121.849 119.914 0.134 0.000 3.139 332 V HA 0.773 4.893 4.120 -0.000 0.000 0.310 332 V C 0.533 176.676 176.094 0.081 0.000 1.260 332 V CA -1.073 61.311 62.300 0.141 0.000 1.064 332 V CB 1.998 33.879 31.823 0.096 0.000 1.160 332 V HN 1.072 nan 8.190 nan 0.000 0.470 333 T N -0.375 114.205 114.554 0.043 0.000 2.888 333 T HA 0.728 5.078 4.350 -0.000 0.000 0.288 333 T C -1.602 173.099 174.700 0.002 0.000 1.063 333 T CA -0.318 61.796 62.100 0.023 0.000 1.010 333 T CB 2.096 70.968 68.868 0.007 0.000 1.214 333 T HN 0.462 nan 8.240 nan 0.000 0.533 334 V N 2.220 122.131 119.914 -0.005 0.000 2.760 334 V HA 0.568 4.688 4.120 -0.000 0.000 0.309 334 V C -0.707 175.361 176.094 -0.043 0.000 1.077 334 V CA -0.764 61.514 62.300 -0.037 0.000 0.910 334 V CB 1.829 33.621 31.823 -0.051 0.000 1.008 334 V HN 0.696 nan 8.190 nan 0.000 0.424 335 L N 6.665 127.857 121.223 -0.053 0.000 2.468 335 L HA 0.501 4.841 4.340 -0.000 0.000 0.254 335 L C -1.851 174.994 176.870 -0.041 0.000 1.171 335 L CA -1.697 53.119 54.840 -0.040 0.000 0.809 335 L CB 0.750 42.790 42.059 -0.031 0.000 1.155 335 L HN 0.471 nan 8.230 nan 0.000 0.473 336 P HA -0.012 nan 4.420 nan 0.000 0.268 336 P C 0.523 177.803 177.300 -0.034 0.000 1.208 336 P CA 0.390 63.474 63.100 -0.026 0.000 0.777 336 P CB 0.559 32.251 31.700 -0.013 0.000 0.875 337 G N 0.160 108.935 108.800 -0.042 0.000 2.179 337 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.257 337 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.257 337 G C 0.450 175.294 174.900 -0.093 0.000 1.010 337 G CA 0.236 45.302 45.100 -0.055 0.000 0.736 337 G HN 0.904 nan 8.290 nan 0.000 0.513 338 A N -0.617 122.130 122.820 -0.122 0.000 2.259 338 A HA 0.936 5.256 4.320 -0.000 0.000 0.278 338 A C 0.768 178.200 177.584 -0.254 0.000 1.107 338 A CA 0.802 52.722 52.037 -0.194 0.000 0.828 338 A CB 0.899 19.745 19.000 -0.256 0.000 1.111 338 A HN 2.088 nan 8.150 nan 0.000 0.498 339 S N -1.642 113.857 115.700 -0.335 0.000 2.579 339 S HA 0.721 5.191 4.470 -0.000 0.000 0.272 339 S C -1.531 172.764 174.600 -0.507 0.000 1.141 339 S CA -0.634 57.395 58.200 -0.287 0.000 0.843 339 S CB 0.809 64.010 63.200 0.001 0.000 1.122 339 S HN 0.555 nan 8.310 nan 0.000 0.468 340 Y N 0.851 121.075 120.300 -0.127 0.000 2.485 340 Y HA 0.832 5.382 4.550 -0.000 0.000 0.345 340 Y C -0.333 175.401 175.900 -0.276 0.000 0.998 340 Y CA -1.198 56.663 58.100 -0.397 0.000 1.059 340 Y CB 1.690 39.990 38.460 -0.266 0.000 1.234 340 Y HN 0.878 nan 8.280 nan 0.000 0.461 341 F N -1.885 118.060 119.950 -0.009 0.000 2.713 341 F HA 0.662 5.189 4.527 -0.000 0.000 0.311 341 F C -0.348 175.350 175.800 -0.169 0.000 1.141 341 F CA -1.712 56.218 58.000 -0.116 0.000 0.939 341 F CB 0.473 39.391 39.000 -0.137 0.000 1.325 341 F HN 0.362 nan 8.300 nan 0.000 0.453 342 S N 0.070 115.774 115.700 0.006 0.000 2.589 342 S HA 0.204 4.674 4.470 -0.000 0.000 0.265 342 S C 0.721 175.250 174.600 -0.118 0.000 1.342 342 S CA 0.074 58.188 58.200 -0.144 0.000 1.005 342 S CB 1.078 64.171 63.200 -0.178 0.000 0.909 342 S HN 0.709 nan 8.310 nan 0.000 0.555 343 S N 1.376 116.903 115.700 -0.289 0.000 2.383 343 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 343 S C 1.718 176.232 174.600 -0.143 0.000 1.026 343 S CA 1.227 59.233 58.200 -0.325 0.000 0.981 343 S CB -0.641 61.945 63.200 -1.024 0.000 0.818 343 S HN 0.924 nan 8.310 nan 0.000 0.472 344 D N 1.137 121.412 120.400 -0.207 0.000 2.144 344 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 344 D C 1.620 177.886 176.300 -0.055 0.000 0.978 344 D CA 0.775 54.709 54.000 -0.109 0.000 0.833 344 D CB -0.335 40.375 40.800 -0.150 0.000 0.961 344 D HN 0.208 nan 8.370 nan 0.000 0.470 345 E N 0.667 120.822 120.200 -0.075 0.000 2.107 345 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 345 E C 2.076 178.581 176.600 -0.157 0.000 0.982 345 E CA 0.429 56.758 56.400 -0.119 0.000 0.809 345 E CB -0.161 29.466 29.700 -0.122 0.000 0.756 345 E HN 0.261 nan 8.360 nan 0.000 0.459 346 S N -0.397 115.293 115.700 -0.016 0.000 2.370 346 S HA -0.128 4.342 4.470 -0.000 0.000 0.226 346 S C 1.671 176.080 174.600 -0.318 0.000 1.033 346 S CA 0.949 59.106 58.200 -0.072 0.000 1.011 346 S CB -0.215 62.955 63.200 -0.051 0.000 0.852 346 S HN 0.170 nan 8.310 nan 0.000 0.457 347 F N 1.759 121.681 119.950 -0.047 0.000 2.710 347 F HA 0.450 4.977 4.527 -0.000 0.000 0.298 347 F C 1.424 177.205 175.800 -0.031 0.000 1.137 347 F CA 0.090 58.075 58.000 -0.025 0.000 1.444 347 F CB -0.466 38.525 39.000 -0.015 0.000 1.111 347 F HN 0.207 nan 8.300 nan 0.000 0.580 351 R N 1.684 122.259 120.500 0.124 0.000 2.120 351 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 351 R C 1.814 178.169 176.300 0.092 0.000 1.123 351 R CA 1.808 57.992 56.100 0.140 0.000 0.975 351 R CB -0.215 30.189 30.300 0.174 0.000 0.866 351 R HN 0.474 nan 8.270 nan 0.000 0.446 352 G N -1.079 107.773 108.800 0.087 0.000 2.848 352 G HA2 0.045 4.005 3.960 -0.000 0.000 0.208 352 G HA3 0.045 4.005 3.960 -0.000 0.000 0.208 352 G C 0.763 175.517 174.900 -0.243 0.000 1.152 352 G CA 0.414 45.509 45.100 -0.009 0.000 0.789 352 G HN 0.514 nan 8.290 nan 0.000 0.531 353 G N -0.044 108.688 108.800 -0.113 0.000 2.198 353 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 353 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 353 G C 0.825 175.598 174.900 -0.213 0.000 1.025 353 G CA 0.509 45.531 45.100 -0.130 0.000 0.769 353 G HN 0.598 nan 8.290 nan 0.000 0.507 354 H N -1.246 117.787 119.070 -0.062 0.000 2.529 354 H HA 0.137 4.693 4.556 -0.000 0.000 0.277 354 H C 1.505 176.774 175.328 -0.097 0.000 0.999 354 H CA 1.038 57.019 56.048 -0.111 0.000 1.256 354 H CB 0.413 30.063 29.762 -0.186 0.000 1.402 354 H HN 0.341 nan 8.280 nan 0.000 0.566 355 V N 2.249 122.192 119.914 0.049 0.000 2.530 355 V HA -0.018 4.102 4.120 -0.000 0.000 0.282 355 V C 0.858 177.010 176.094 0.096 0.000 1.048 355 V CA 0.023 62.375 62.300 0.086 0.000 0.997 355 V CB 1.415 33.282 31.823 0.073 0.000 0.987 355 V HN 0.390 nan 8.190 nan 0.000 0.477 356 N N 2.910 121.704 118.700 0.156 0.000 2.173 356 N HA 0.044 4.784 4.740 -0.000 0.000 0.184 356 N C 0.009 175.570 175.510 0.085 0.000 1.025 356 N CA 0.494 53.617 53.050 0.122 0.000 0.852 356 N CB 0.166 38.749 38.487 0.160 0.000 0.998 356 N HN 0.453 nan 8.380 nan 0.000 0.427 357 L N 0.345 121.626 121.223 0.096 0.000 2.410 357 L HA 0.455 4.795 4.340 -0.000 0.000 0.270 357 L C -0.811 176.098 176.870 0.065 0.000 0.983 357 L CA -0.219 54.657 54.840 0.060 0.000 0.822 357 L CB 2.181 44.261 42.059 0.035 0.000 1.285 357 L HN -0.175 nan 8.230 nan 0.000 0.409 361 G N -0.300 108.531 108.800 0.051 0.000 2.588 361 G HA2 0.842 4.802 3.960 -0.000 0.000 0.281 361 G HA3 0.842 4.802 3.960 -0.000 0.000 0.281 361 G C -0.470 174.460 174.900 0.051 0.000 1.236 361 G CA 0.055 45.181 45.100 0.045 0.000 0.969 361 G HN 1.472 nan 8.290 nan 0.000 0.504 365 V N 1.130 121.018 119.914 -0.044 0.000 2.638 365 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 365 V C -0.113 175.936 176.094 -0.076 0.000 1.052 365 V CA -0.621 61.649 62.300 -0.049 0.000 0.885 365 V CB 1.818 33.600 31.823 -0.068 0.000 0.999 365 V HN 0.808 nan 8.190 nan 0.000 0.424 366 S N 3.346 119.016 115.700 -0.050 0.000 2.614 366 S HA 0.232 4.702 4.470 -0.000 0.000 0.265 366 S C 1.277 175.800 174.600 -0.129 0.000 1.303 366 S CA 0.035 58.199 58.200 -0.060 0.000 1.000 366 S CB 1.025 64.229 63.200 0.007 0.000 0.935 366 S HN 0.844 nan 8.310 nan 0.000 0.551 367 K N 1.151 121.429 120.400 -0.203 0.000 2.103 367 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 367 K C 0.488 176.776 176.600 -0.519 0.000 1.048 367 K CA 1.752 57.789 56.287 -0.416 0.000 0.930 367 K CB -0.283 31.876 32.500 -0.567 0.000 0.716 367 K HN 0.813 nan 8.250 nan 0.000 0.444 368 Y N -0.904 119.374 120.300 -0.036 0.000 2.524 368 Y HA 0.267 4.817 4.550 -0.000 0.000 0.266 368 Y C 1.135 177.026 175.900 -0.014 0.000 1.180 368 Y CA 0.211 58.299 58.100 -0.020 0.000 1.244 368 Y CB 1.260 39.712 38.460 -0.014 0.000 1.125 368 Y HN 0.324 nan 8.280 nan 0.000 0.524 369 G N -0.610 108.222 108.800 0.054 0.000 2.184 369 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.206 369 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.206 369 G C -0.410 174.518 174.900 0.046 0.000 0.995 369 G CA -0.412 44.714 45.100 0.044 0.000 0.651 369 G HN 0.203 nan 8.290 nan 0.000 0.511 370 D N 0.191 120.621 120.400 0.051 0.000 2.443 370 D HA 0.480 5.120 4.640 -0.000 0.000 0.239 370 D C 0.330 176.653 176.300 0.039 0.000 1.136 370 D CA 0.205 54.233 54.000 0.047 0.000 0.879 370 D CB 1.744 42.570 40.800 0.044 0.000 1.195 370 D HN 0.319 nan 8.370 nan 0.000 0.443 371 L N 1.103 122.360 121.223 0.057 0.000 2.342 371 L HA 0.704 5.044 4.340 -0.000 0.000 0.271 371 L C -1.280 175.653 176.870 0.105 0.000 1.008 371 L CA -0.797 54.083 54.840 0.068 0.000 0.818 371 L CB 1.852 43.956 42.059 0.075 0.000 1.296 371 L HN 0.400 nan 8.230 nan 0.000 0.427 372 A N 3.424 126.305 122.820 0.102 0.000 2.446 372 A HA 0.650 4.970 4.320 -0.000 0.000 0.282 372 A C -0.692 176.965 177.584 0.122 0.000 1.102 372 A CA -0.260 51.853 52.037 0.127 0.000 0.737 372 A CB 0.445 19.479 19.000 0.056 0.000 1.212 372 A HN 0.810 nan 8.150 nan 0.000 0.434 373 N N 1.598 120.425 118.700 0.212 0.000 2.228 373 N HA 0.043 4.783 4.740 -0.000 0.000 0.237 373 N C -0.393 175.281 175.510 0.275 0.000 1.382 373 N CA -0.146 53.013 53.050 0.181 0.000 0.787 373 N CB -0.134 38.447 38.487 0.156 0.000 1.320 373 N HN 0.805 nan 8.380 nan 0.000 0.507 377 P HA 0.031 nan 4.420 nan 0.000 0.256 377 P C 1.023 178.272 177.300 -0.085 0.000 1.173 377 P CA 1.329 64.374 63.100 -0.091 0.000 0.768 377 P CB 0.361 32.018 31.700 -0.072 0.000 0.758 378 G N 2.519 111.258 108.800 -0.103 0.000 2.162 378 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 378 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 378 G C 0.967 175.790 174.900 -0.128 0.000 0.976 378 G CA 0.827 45.839 45.100 -0.148 0.000 0.655 378 G HN 0.557 nan 8.290 nan 0.000 0.533 379 K N -1.770 118.570 120.400 -0.099 0.000 2.631 379 K HA 0.497 4.817 4.320 -0.000 0.000 0.200 379 K C 0.044 176.613 176.600 -0.052 0.000 1.481 379 K CA 0.521 56.764 56.287 -0.074 0.000 1.087 379 K CB 0.454 32.918 32.500 -0.060 0.000 1.502 379 K HN 0.599 nan 8.250 nan 0.000 0.560 380 L N 1.433 122.624 121.223 -0.053 0.000 2.529 380 L HA 0.476 4.816 4.340 -0.000 0.000 0.258 380 L C -1.696 175.167 176.870 -0.013 0.000 1.032 380 L CA -0.392 54.436 54.840 -0.019 0.000 0.899 380 L CB 1.901 43.952 42.059 -0.013 0.000 1.174 380 L HN -0.116 nan 8.230 nan 0.000 0.458 381 V N 4.121 124.061 119.914 0.043 0.000 2.468 381 V HA 0.343 4.463 4.120 -0.000 0.000 0.256 381 V C 0.402 176.635 176.094 0.233 0.000 0.998 381 V CA -0.373 62.007 62.300 0.132 0.000 1.114 381 V CB 0.393 32.301 31.823 0.143 0.000 1.378 381 V HN 0.599 nan 8.190 nan 0.000 0.573 382 K N 1.773 122.265 120.400 0.153 0.000 2.514 382 K HA 0.641 4.960 4.320 -0.000 0.000 0.207 382 K C 0.675 177.220 176.600 -0.092 0.000 1.035 382 K CA 0.403 56.693 56.287 0.004 0.000 1.113 382 K CB 1.300 33.732 32.500 -0.113 0.000 0.846 382 K HN 0.736 nan 8.250 nan 0.000 0.491 386 G N 0.689 109.604 108.800 0.192 0.000 3.189 386 G HA2 0.588 4.548 3.960 -0.000 0.000 0.225 386 G HA3 0.588 4.548 3.960 -0.000 0.000 0.225 386 G C 0.916 175.947 174.900 0.218 0.000 1.159 386 G CA 1.604 46.866 45.100 0.269 0.000 0.763 386 G HN 1.260 nan 8.290 nan 0.000 0.549 390 L N 2.234 123.578 121.223 0.201 0.000 2.261 390 L HA -0.105 4.235 4.340 -0.000 0.000 0.216 390 L C 2.124 179.054 176.870 0.100 0.000 1.114 390 L CA 1.418 56.342 54.840 0.139 0.000 0.777 390 L CB -0.103 42.033 42.059 0.129 0.000 0.910 390 L HN 0.102 nan 8.230 nan 0.000 0.440 391 V N -5.063 114.908 119.914 0.094 0.000 3.214 391 V HA 0.187 4.307 4.120 -0.000 0.000 0.330 391 V C 1.655 177.793 176.094 0.073 0.000 1.403 391 V CA 0.445 62.790 62.300 0.075 0.000 1.143 391 V CB 0.244 32.108 31.823 0.068 0.000 1.098 391 V HN 0.332 nan 8.190 nan 0.000 0.463 392 S N 0.475 116.227 115.700 0.087 0.000 2.503 392 S HA -0.029 4.441 4.470 -0.000 0.000 0.217 392 S C 1.779 176.425 174.600 0.075 0.000 0.999 392 S CA 0.741 58.993 58.200 0.087 0.000 0.914 392 S CB -0.198 63.072 63.200 0.116 0.000 0.782 392 S HN 0.921 nan 8.310 nan 0.000 0.520 393 S N 2.778 118.520 115.700 0.070 0.000 2.404 393 S HA 0.474 4.944 4.470 -0.000 0.000 0.191 393 S C 1.585 176.207 174.600 0.036 0.000 1.254 393 S CA 0.946 59.178 58.200 0.054 0.000 1.821 393 S CB -1.048 62.173 63.200 0.035 0.000 0.822 393 S HN 1.674 nan 8.310 nan 0.000 0.370 394 A N -0.099 122.737 122.820 0.026 0.000 3.540 394 A HA 0.002 4.322 4.320 -0.000 0.000 0.196 394 A C 1.493 179.085 177.584 0.014 0.000 1.279 394 A CA 0.532 52.581 52.037 0.020 0.000 1.287 394 A CB -1.559 17.452 19.000 0.018 0.000 0.793 394 A HN 0.416 nan 8.150 nan 0.000 0.406 395 K N 0.899 121.301 120.400 0.002 0.000 2.280 395 K HA 0.058 4.378 4.320 -0.000 0.000 0.202 395 K C 0.033 176.633 176.600 0.001 0.000 1.047 395 K CA 1.349 57.631 56.287 -0.009 0.000 0.942 395 K CB -0.205 32.271 32.500 -0.041 0.000 0.739 395 K HN 0.560 nan 8.250 nan 0.000 0.457 396 T N 2.242 116.801 114.554 0.009 0.000 2.845 396 T HA 0.169 4.519 4.350 -0.000 0.000 0.288 396 T C -0.227 174.489 174.700 0.027 0.000 0.980 396 T CA -0.680 61.433 62.100 0.022 0.000 1.071 396 T CB 1.076 69.962 68.868 0.029 0.000 0.941 396 T HN -0.122 nan 8.240 nan 0.000 0.487 397 K N 2.852 123.269 120.400 0.027 0.000 2.262 397 K HA 0.406 4.726 4.320 -0.000 0.000 0.282 397 K C -0.364 176.248 176.600 0.020 0.000 1.066 397 K CA -0.589 55.711 56.287 0.021 0.000 0.901 397 K CB 1.220 33.729 32.500 0.015 0.000 1.089 397 K HN 0.454 nan 8.250 nan 0.000 0.476 398 V N 3.118 123.045 119.914 0.022 0.000 2.384 398 V HA 0.544 4.664 4.120 -0.000 0.000 0.287 398 V C -0.680 175.422 176.094 0.014 0.000 1.020 398 V CA -0.819 61.494 62.300 0.023 0.000 0.850 398 V CB 1.581 33.425 31.823 0.036 0.000 0.987 398 V HN 0.465 nan 8.190 nan 0.000 0.436 399 V N 7.715 127.629 119.914 0.001 0.000 2.540 399 V HA 0.845 4.965 4.120 -0.000 0.000 0.302 399 V C -0.359 175.734 176.094 -0.002 0.000 1.035 399 V CA 0.034 62.330 62.300 -0.007 0.000 0.873 399 V CB 1.936 33.738 31.823 -0.034 0.000 0.992 399 V HN 1.561 nan 8.190 nan 0.000 0.428 400 V N 3.928 123.845 119.914 0.006 0.000 2.539 400 V HA 0.940 5.060 4.120 -0.000 0.000 0.292 400 V C 0.248 176.344 176.094 0.003 0.000 1.045 400 V CA 0.527 62.834 62.300 0.010 0.000 0.945 400 V CB 1.064 32.896 31.823 0.015 0.000 0.993 400 V HN 1.243 nan 8.190 nan 0.000 0.464 404 H N 1.181 120.254 119.070 0.006 0.000 2.319 404 H HA -0.023 4.533 4.556 -0.000 0.000 0.297 404 H C 0.159 175.522 175.328 0.057 0.000 1.097 404 H CA 2.299 58.374 56.048 0.046 0.000 1.285 404 H CB 0.463 30.258 29.762 0.054 0.000 1.368 404 H HN 0.175 nan 8.280 nan 0.000 0.495 405 S N -1.462 114.332 115.700 0.157 0.000 2.568 405 S HA 0.622 5.092 4.470 -0.000 0.000 0.293 405 S C 0.287 174.914 174.600 0.046 0.000 1.089 405 S CA -0.572 57.690 58.200 0.103 0.000 0.945 405 S CB 1.979 65.262 63.200 0.138 0.000 1.077 405 S HN 0.593 nan 8.310 nan 0.000 0.485 406 A N 2.268 125.103 122.820 0.025 0.000 3.154 406 A HA 0.242 4.562 4.320 -0.000 0.000 0.157 406 A C 0.502 178.088 177.584 0.004 0.000 0.966 406 A CA 1.106 53.148 52.037 0.009 0.000 1.076 406 A CB -0.453 18.548 19.000 0.003 0.000 0.868 406 A HN 0.556 nan 8.150 nan 0.000 0.549 407 K N -1.004 119.393 120.400 -0.005 0.000 2.213 407 K HA 0.481 4.801 4.320 -0.000 0.000 0.270 407 K C 0.333 176.924 176.600 -0.014 0.000 1.002 407 K CA 0.559 56.841 56.287 -0.008 0.000 0.868 407 K CB 0.655 33.150 32.500 -0.010 0.000 1.093 407 K HN 1.469 nan 8.250 nan 0.000 0.454 408 G N 3.961 112.754 108.800 -0.012 0.000 2.366 408 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.299 408 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.299 408 G C -0.231 174.654 174.900 -0.025 0.000 1.020 408 G CA 0.690 45.781 45.100 -0.016 0.000 1.026 408 G HN 1.029 nan 8.290 nan 0.000 0.512 409 N N -2.207 116.482 118.700 -0.017 0.000 2.681 409 N HA -0.038 4.702 4.740 -0.000 0.000 0.259 409 N C 0.424 175.884 175.510 -0.083 0.000 1.066 409 N CA 0.886 53.920 53.050 -0.025 0.000 0.717 409 N CB -0.832 37.639 38.487 -0.026 0.000 0.885 409 N HN 1.630 nan 8.380 nan 0.000 0.547 410 A N 1.374 124.158 122.820 -0.060 0.000 2.292 410 A HA 0.478 4.798 4.320 -0.000 0.000 0.319 410 A C -0.094 177.466 177.584 -0.039 0.000 1.206 410 A CA -0.516 51.468 52.037 -0.088 0.000 0.835 410 A CB 0.487 19.465 19.000 -0.037 0.000 1.164 410 A HN 0.440 nan 8.150 nan 0.000 0.505 411 H N 1.619 120.701 119.070 0.019 0.000 3.034 411 H HA 0.051 4.607 4.556 -0.000 0.000 0.324 411 H C 0.609 175.925 175.328 -0.020 0.000 1.015 411 H CA 0.792 56.846 56.048 0.010 0.000 1.429 411 H CB 0.926 30.691 29.762 0.005 0.000 1.429 411 H HN 0.754 nan 8.280 nan 0.000 0.585 412 K N 2.551 123.004 120.400 0.088 0.000 2.387 412 K HA 0.237 4.557 4.320 -0.000 0.000 0.197 412 K C 0.774 177.340 176.600 -0.057 0.000 1.127 412 K CA 0.228 56.513 56.287 -0.003 0.000 0.950 412 K CB 0.907 33.383 32.500 -0.039 0.000 1.017 412 K HN 0.381 nan 8.250 nan 0.000 0.519 416 K N 0.953 121.345 120.400 -0.013 0.000 2.464 416 K HA 0.505 4.825 4.320 -0.000 0.000 0.253 416 K C -0.278 176.319 176.600 -0.005 0.000 0.933 416 K CA -0.527 55.763 56.287 0.005 0.000 0.801 416 K CB 2.178 34.686 32.500 0.013 0.000 1.271 416 K HN 0.081 nan 8.250 nan 0.000 0.430 417 C N 1.117 120.417 119.300 0.000 0.000 2.656 417 C HA 0.166 4.626 4.460 -0.000 0.000 0.391 417 C C 2.146 177.135 174.990 -0.002 0.000 1.300 417 C CA -0.076 58.941 59.018 -0.002 0.000 2.302 417 C CB 0.247 27.992 27.740 0.008 0.000 2.655 417 C HN 0.788 nan 8.230 nan 0.000 0.656 418 T N 1.233 115.783 114.554 -0.007 0.000 2.925 418 T HA 0.108 4.458 4.350 -0.000 0.000 0.245 418 T C 0.716 175.402 174.700 -0.024 0.000 1.025 418 T CA 0.502 62.594 62.100 -0.012 0.000 1.149 418 T CB -0.072 68.790 68.868 -0.011 0.000 0.866 418 T HN 0.435 nan 8.240 nan 0.000 0.437 419 L N 3.250 124.452 121.223 -0.034 0.000 2.464 419 L HA 0.257 4.597 4.340 -0.000 0.000 0.264 419 L C -1.906 174.929 176.870 -0.059 0.000 1.199 419 L CA -1.999 52.800 54.840 -0.068 0.000 0.818 419 L CB -0.250 41.759 42.059 -0.083 0.000 1.102 419 L HN 0.089 nan 8.230 nan 0.000 0.473 420 P HA 0.022 nan 4.420 nan 0.000 0.265 420 P C -0.556 176.814 177.300 0.116 0.000 1.193 420 P CA 0.062 63.144 63.100 -0.031 0.000 0.765 420 P CB 0.485 32.091 31.700 -0.156 0.000 0.823 421 L N 2.748 124.095 121.223 0.207 0.000 2.467 421 L HA 0.080 4.420 4.340 -0.000 0.000 0.270 421 L C 1.804 178.929 176.870 0.426 0.000 1.205 421 L CA 0.196 55.181 54.840 0.242 0.000 0.828 421 L CB -0.181 41.948 42.059 0.116 0.000 1.101 421 L HN 0.409 nan 8.230 nan 0.000 0.479 422 T N -0.131 114.595 114.554 0.287 0.000 3.015 422 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 422 T C 0.388 175.121 174.700 0.055 0.000 1.057 422 T CA 0.429 62.628 62.100 0.164 0.000 1.066 422 T CB 0.630 69.615 68.868 0.197 0.000 0.959 422 T HN 0.842 nan 8.240 nan 0.000 0.488 423 G N 0.725 109.569 108.800 0.074 0.000 2.473 423 G HA2 0.446 4.406 3.960 -0.000 0.000 0.298 423 G HA3 0.446 4.406 3.960 -0.000 0.000 0.298 423 G C -1.895 173.033 174.900 0.046 0.000 1.575 423 G CA -0.942 44.187 45.100 0.049 0.000 0.846 423 G HN 0.019 nan 8.290 nan 0.000 0.585 424 K N 1.097 121.519 120.400 0.037 0.000 2.172 424 K HA 0.373 4.693 4.320 -0.000 0.000 0.276 424 K C 0.218 176.854 176.600 0.060 0.000 1.013 424 K CA -0.450 55.858 56.287 0.035 0.000 0.913 424 K CB 1.027 33.528 32.500 0.002 0.000 1.055 424 K HN 0.670 nan 8.250 nan 0.000 0.461 425 Q N 0.458 120.295 119.800 0.062 0.000 2.426 425 Q HA -0.245 4.095 4.340 -0.000 0.000 0.359 425 Q C 0.371 176.407 176.000 0.060 0.000 1.381 425 Q CA 0.460 56.306 55.803 0.072 0.000 1.060 425 Q CB -1.865 26.912 28.738 0.065 0.000 1.253 425 Q HN 0.872 nan 8.270 nan 0.000 0.363 426 C N -4.312 115.022 119.300 0.056 0.000 3.757 426 C HA 0.438 4.898 4.460 -0.000 0.000 0.358 426 C C 0.840 175.857 174.990 0.045 0.000 1.484 426 C CA -0.410 58.638 59.018 0.050 0.000 1.862 426 C CB -0.115 27.657 27.740 0.054 0.000 2.654 426 C HN 0.345 nan 8.230 nan 0.000 0.699 427 V N 3.660 123.599 119.914 0.041 0.000 2.498 427 V HA 0.232 4.352 4.120 -0.000 0.000 0.279 427 V C 0.445 176.557 176.094 0.031 0.000 1.048 427 V CA 0.619 62.939 62.300 0.032 0.000 0.967 427 V CB 0.900 32.736 31.823 0.021 0.000 0.988 427 V HN 0.482 nan 8.190 nan 0.000 0.473 428 N N 2.760 121.477 118.700 0.028 0.000 2.414 428 N HA 0.182 4.922 4.740 -0.000 0.000 0.177 428 N C 0.522 176.050 175.510 0.030 0.000 1.062 428 N CA -0.005 53.062 53.050 0.029 0.000 0.890 428 N CB 0.481 38.983 38.487 0.025 0.000 1.070 428 N HN 0.641 nan 8.380 nan 0.000 0.454 429 R N 0.597 121.112 120.500 0.026 0.000 2.604 429 R HA 0.429 4.769 4.340 -0.000 0.000 0.270 429 R C -2.058 174.264 176.300 0.037 0.000 1.052 429 R CA -0.462 55.658 56.100 0.035 0.000 0.902 429 R CB 1.173 31.483 30.300 0.016 0.000 1.233 429 R HN -0.082 nan 8.270 nan 0.000 0.455 430 I N 5.224 125.839 120.570 0.075 0.000 2.433 430 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 430 I C -0.340 175.831 176.117 0.090 0.000 1.001 430 I CA -0.864 60.484 61.300 0.080 0.000 1.119 430 I CB 2.037 40.099 38.000 0.103 0.000 1.289 430 I HN 0.463 nan 8.210 nan 0.000 0.438 431 I N 5.602 126.199 120.570 0.045 0.000 2.448 431 I HA 0.257 4.427 4.170 -0.000 0.000 0.281 431 I C 0.335 176.468 176.117 0.027 0.000 1.027 431 I CA -0.229 61.085 61.300 0.023 0.000 1.111 431 I CB 1.811 39.801 38.000 -0.017 0.000 1.236 431 I HN 0.649 nan 8.210 nan 0.000 0.452 432 T N 1.069 115.661 114.554 0.062 0.000 2.876 432 T HA 0.281 4.631 4.350 -0.000 0.000 0.277 432 T C 1.016 175.716 174.700 0.001 0.000 0.997 432 T CA -0.512 61.630 62.100 0.071 0.000 0.966 432 T CB 1.508 70.514 68.868 0.230 0.000 1.312 432 T HN 0.589 nan 8.240 nan 0.000 0.598 433 E N 0.210 120.384 120.200 -0.043 0.000 2.435 433 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 433 E C 1.226 177.663 176.600 -0.272 0.000 1.029 433 E CA 0.672 56.949 56.400 -0.205 0.000 0.865 433 E CB -0.073 29.472 29.700 -0.259 0.000 0.833 433 E HN 0.754 nan 8.360 nan 0.000 0.510 434 K N 0.146 120.488 120.400 -0.097 0.000 2.262 434 K HA 0.361 4.681 4.320 -0.000 0.000 0.200 434 K C 0.849 177.436 176.600 -0.021 0.000 1.058 434 K CA 0.768 57.011 56.287 -0.073 0.000 0.974 434 K CB 0.833 33.212 32.500 -0.201 0.000 0.910 434 K HN 0.131 nan 8.250 nan 0.000 0.484 435 A N 0.619 123.426 122.820 -0.022 0.000 2.564 435 A HA 0.657 4.977 4.320 -0.000 0.000 0.288 435 A C -1.511 175.973 177.584 -0.166 0.000 1.164 435 A CA -0.588 51.344 52.037 -0.174 0.000 0.712 435 A CB 1.852 20.584 19.000 -0.447 0.000 1.303 435 A HN -0.099 nan 8.150 nan 0.000 0.418 436 V N 0.666 120.390 119.914 -0.317 0.000 2.525 436 V HA 0.540 4.660 4.120 -0.000 0.000 0.299 436 V C -1.496 174.409 176.094 -0.316 0.000 1.034 436 V CA -0.151 62.036 62.300 -0.188 0.000 0.863 436 V CB 0.999 32.755 31.823 -0.113 0.000 0.999 436 V HN 0.665 nan 8.190 nan 0.000 0.423 437 F N 2.028 121.933 119.950 -0.074 0.000 2.480 437 F HA 0.580 5.107 4.527 -0.000 0.000 0.329 437 F C 0.319 176.083 175.800 -0.060 0.000 1.091 437 F CA -0.613 57.331 58.000 -0.093 0.000 0.972 437 F CB 1.634 40.568 39.000 -0.110 0.000 1.150 437 F HN 0.355 nan 8.300 nan 0.000 0.467 438 D N 1.592 122.085 120.400 0.155 0.000 2.193 438 D HA 0.413 5.053 4.640 -0.000 0.000 0.244 438 D C -1.101 175.255 176.300 0.095 0.000 1.064 438 D CA -0.035 54.017 54.000 0.087 0.000 0.845 438 D CB 2.152 42.983 40.800 0.053 0.000 1.148 438 D HN 0.317 nan 8.370 nan 0.000 0.464 439 V N 1.784 121.735 119.914 0.061 0.000 2.628 439 V HA 0.571 4.691 4.120 -0.000 0.000 0.306 439 V C -1.330 174.795 176.094 0.052 0.000 1.045 439 V CA -0.621 61.702 62.300 0.038 0.000 0.905 439 V CB 2.178 34.002 31.823 0.003 0.000 0.997 439 V HN 0.480 nan 8.190 nan 0.000 0.436 440 D N 3.481 123.922 120.400 0.069 0.000 2.646 440 D HA 0.473 5.113 4.640 -0.000 0.000 0.245 440 D C 1.010 177.406 176.300 0.160 0.000 1.099 440 D CA -0.608 53.449 54.000 0.095 0.000 0.849 440 D CB 2.205 43.060 40.800 0.091 0.000 1.448 440 D HN 0.553 nan 8.370 nan 0.000 0.489 441 R N 1.771 122.349 120.500 0.130 0.000 2.119 441 R HA -0.162 4.178 4.340 -0.000 0.000 0.246 441 R C 1.330 177.722 176.300 0.153 0.000 1.146 441 R CA 1.341 57.523 56.100 0.137 0.000 0.962 441 R CB -0.023 30.312 30.300 0.058 0.000 0.863 441 R HN 0.370 nan 8.270 nan 0.000 0.442 442 K N 0.633 121.106 120.400 0.123 0.000 2.161 442 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 442 K C 1.868 178.601 176.600 0.221 0.000 1.035 442 K CA 1.199 57.530 56.287 0.074 0.000 0.970 442 K CB -0.100 32.418 32.500 0.029 0.000 0.866 442 K HN 0.241 nan 8.250 nan 0.000 0.461 443 K N 0.398 120.917 120.400 0.199 0.000 2.486 443 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 443 K C 0.784 177.501 176.600 0.195 0.000 1.033 443 K CA 0.809 57.211 56.287 0.191 0.000 1.004 443 K CB 0.083 32.650 32.500 0.111 0.000 0.798 443 K HN 0.155 nan 8.250 nan 0.000 0.495 444 G N 1.645 110.564 108.800 0.200 0.000 2.508 444 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 444 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 444 G C -0.806 174.057 174.900 -0.061 0.000 1.287 444 G CA -0.255 44.762 45.100 -0.138 0.000 0.916 444 G HN 0.455 nan 8.290 nan 0.000 0.574 445 L N -1.261 119.905 121.223 -0.095 0.000 2.322 445 L HA 0.897 5.237 4.340 -0.000 0.000 0.281 445 L C 0.293 177.263 176.870 0.165 0.000 1.014 445 L CA -0.177 54.662 54.840 -0.002 0.000 0.815 445 L CB 2.043 43.991 42.059 -0.185 0.000 1.247 445 L HN 1.189 nan 8.230 nan 0.000 0.421 446 T N 1.168 115.846 114.554 0.207 0.000 2.812 446 T HA 0.502 4.852 4.350 -0.000 0.000 0.282 446 T C -0.417 174.367 174.700 0.139 0.000 0.990 446 T CA -0.724 61.499 62.100 0.206 0.000 0.960 446 T CB 1.731 70.673 68.868 0.124 0.000 0.948 446 T HN 0.620 nan 8.240 nan 0.000 0.438 447 L N 5.023 126.233 121.223 -0.021 0.000 2.462 447 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 447 L C 0.848 177.591 176.870 -0.211 0.000 1.166 447 L CA -0.014 54.590 54.840 -0.393 0.000 0.880 447 L CB -0.089 41.620 42.059 -0.583 0.000 1.142 447 L HN 0.858 nan 8.230 nan 0.000 0.473 448 I N -0.268 120.165 120.570 -0.227 0.000 4.403 448 I HA 0.456 4.626 4.170 -0.000 0.000 0.331 448 I C -0.262 175.778 176.117 -0.128 0.000 1.327 448 I CA -0.203 61.021 61.300 -0.125 0.000 1.175 448 I CB 0.309 38.265 38.000 -0.073 0.000 1.165 448 I HN 0.505 nan 8.210 nan 0.000 0.413 449 E N 2.296 122.385 120.200 -0.184 0.000 2.304 449 E HA 0.551 4.901 4.350 -0.000 0.000 0.277 449 E C -1.759 174.744 176.600 -0.161 0.000 0.898 449 E CA -0.600 55.720 56.400 -0.134 0.000 0.764 449 E CB 3.543 33.188 29.700 -0.091 0.000 1.216 449 E HN 0.137 nan 8.360 nan 0.000 0.419 450 L N 2.848 124.011 121.223 -0.100 0.000 2.385 450 L HA 0.490 4.830 4.340 -0.000 0.000 0.273 450 L C -1.122 175.758 176.870 0.016 0.000 0.990 450 L CA -0.922 53.875 54.840 -0.070 0.000 0.821 450 L CB 1.362 43.371 42.059 -0.082 0.000 1.279 450 L HN 0.662 nan 8.230 nan 0.000 0.412 451 W N 4.537 125.771 121.300 -0.111 0.000 2.190 451 W HA 0.099 4.759 4.660 -0.000 0.000 0.330 451 W C 0.616 177.096 176.519 -0.065 0.000 1.299 451 W CA -0.017 57.279 57.345 -0.082 0.000 1.215 451 W CB 0.503 29.918 29.460 -0.075 0.000 1.147 451 W HN 0.487 nan 8.180 nan 0.000 0.563 452 E N 3.685 123.290 120.200 -0.992 0.000 2.757 452 E HA 0.133 4.483 4.350 -0.000 0.000 0.238 452 E C 0.972 177.044 176.600 -0.880 0.000 1.057 452 E CA 1.492 57.352 56.400 -0.901 0.000 0.952 452 E CB -0.498 28.625 29.700 -0.961 0.000 0.934 452 E HN 0.874 nan 8.360 nan 0.000 0.518 453 G N 3.742 112.306 108.800 -0.393 0.000 2.352 453 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.204 453 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.204 453 G C 0.172 175.041 174.900 -0.052 0.000 1.004 453 G CA -0.044 44.925 45.100 -0.219 0.000 0.648 453 G HN 0.464 nan 8.290 nan 0.000 0.491 454 L N 1.608 122.835 121.223 0.006 0.000 2.431 454 L HA 0.754 5.094 4.340 -0.000 0.000 0.260 454 L C 1.064 177.941 176.870 0.011 0.000 1.098 454 L CA -0.157 54.716 54.840 0.055 0.000 0.800 454 L CB 1.593 43.722 42.059 0.117 0.000 1.210 454 L HN 0.414 nan 8.230 nan 0.000 0.465 455 T N -3.145 111.423 114.554 0.023 0.000 2.926 455 T HA 0.335 4.685 4.350 -0.000 0.000 0.289 455 T C 0.818 175.546 174.700 0.047 0.000 1.054 455 T CA -0.783 61.330 62.100 0.021 0.000 1.015 455 T CB 1.625 70.507 68.868 0.023 0.000 1.167 455 T HN 0.156 nan 8.240 nan 0.000 0.526 456 V N 0.844 120.797 119.914 0.064 0.000 2.568 456 V HA -0.127 3.993 4.120 -0.000 0.000 0.253 456 V C 2.360 178.557 176.094 0.172 0.000 1.072 456 V CA 2.487 64.868 62.300 0.136 0.000 1.084 456 V CB -1.026 30.887 31.823 0.149 0.000 0.676 456 V HN 1.087 nan 8.190 nan 0.000 0.469 457 D N -0.302 120.160 120.400 0.103 0.000 2.123 457 D HA -0.173 4.466 4.640 -0.000 0.000 0.200 457 D C 1.747 178.106 176.300 0.098 0.000 0.976 457 D CA 1.129 55.182 54.000 0.089 0.000 0.831 457 D CB -0.004 40.828 40.800 0.053 0.000 0.974 457 D HN 0.387 nan 8.370 nan 0.000 0.469 458 D N 0.181 120.628 120.400 0.078 0.000 2.123 458 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 458 D C 2.016 178.363 176.300 0.079 0.000 0.992 458 D CA 0.696 54.733 54.000 0.062 0.000 0.833 458 D CB -0.135 40.688 40.800 0.040 0.000 0.954 458 D HN 0.319 nan 8.370 nan 0.000 0.455 459 I N 0.651 121.288 120.570 0.112 0.000 2.439 459 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 459 I C 2.223 178.587 176.117 0.412 0.000 1.139 459 I CA 0.741 62.148 61.300 0.179 0.000 1.438 459 I CB -0.853 37.240 38.000 0.156 0.000 1.085 459 I HN -0.017 nan 8.210 nan 0.000 0.427 460 K N 2.644 123.264 120.400 0.367 0.000 2.063 460 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 460 K C 1.750 178.457 176.600 0.178 0.000 1.048 460 K CA 1.646 58.063 56.287 0.217 0.000 0.928 460 K CB -0.176 32.368 32.500 0.073 0.000 0.713 460 K HN 0.441 nan 8.250 nan 0.000 0.442 461 K N -0.992 119.511 120.400 0.172 0.000 2.476 461 K HA 0.165 4.485 4.320 -0.000 0.000 0.196 461 K C 0.238 176.990 176.600 0.253 0.000 1.025 461 K CA 0.411 56.805 56.287 0.177 0.000 1.138 461 K CB 0.599 33.162 32.500 0.105 0.000 0.860 461 K HN -0.101 nan 8.250 nan 0.000 0.515 462 S N 0.460 116.355 115.700 0.325 0.000 2.846 462 S HA 0.123 4.593 4.470 -0.000 0.000 0.249 462 S C -0.712 174.257 174.600 0.615 0.000 1.028 462 S CA -0.435 58.007 58.200 0.403 0.000 1.043 462 S CB 1.126 64.464 63.200 0.230 0.000 0.990 462 S HN 0.253 nan 8.310 nan 0.000 0.564 463 T N 0.686 115.512 114.554 0.453 0.000 2.890 463 T HA 0.361 4.711 4.350 -0.000 0.000 0.295 463 T C 1.180 175.637 174.700 -0.406 0.000 0.993 463 T CA -0.573 61.630 62.100 0.172 0.000 0.979 463 T CB 1.575 70.695 68.868 0.421 0.000 0.967 463 T HN 0.182 nan 8.240 nan 0.000 0.441 464 G N 1.414 109.703 108.800 -0.852 0.000 2.586 464 G HA2 0.034 3.994 3.960 -0.000 0.000 0.215 464 G HA3 0.034 3.994 3.960 -0.000 0.000 0.215 464 G C 0.762 175.422 174.900 -0.399 0.000 1.128 464 G CA 0.623 45.150 45.100 -0.956 0.000 0.774 464 G HN 0.951 nan 8.290 nan 0.000 0.543 465 C N -0.515 118.622 119.300 -0.272 0.000 3.171 465 C HA 0.693 5.153 4.460 -0.000 0.000 0.308 465 C C -0.638 174.242 174.990 -0.184 0.000 1.334 465 C CA -1.427 57.474 59.018 -0.195 0.000 1.473 465 C CB 1.760 29.385 27.740 -0.190 0.000 1.866 465 C HN 0.294 nan 8.230 nan 0.000 0.465 466 D N 0.776 121.052 120.400 -0.207 0.000 2.344 466 D HA 0.646 5.286 4.640 -0.000 0.000 0.244 466 D C -0.381 175.801 176.300 -0.197 0.000 1.134 466 D CA 0.014 53.823 54.000 -0.318 0.000 0.930 466 D CB 0.480 41.146 40.800 -0.224 0.000 1.175 466 D HN 0.764 nan 8.370 nan 0.000 0.437 467 F N -2.406 117.541 119.950 -0.005 0.000 2.685 467 F HA 0.789 5.316 4.527 -0.000 0.000 0.315 467 F C -0.964 174.875 175.800 0.065 0.000 1.126 467 F CA -1.881 56.136 58.000 0.030 0.000 0.950 467 F CB 0.746 39.823 39.000 0.129 0.000 1.360 467 F HN 0.509 nan 8.300 nan 0.000 0.469 468 A N 0.549 123.623 122.820 0.424 0.000 2.269 468 A HA 0.803 5.123 4.320 -0.000 0.000 0.319 468 A C -1.253 176.523 177.584 0.320 0.000 1.110 468 A CA -0.812 51.395 52.037 0.283 0.000 0.847 468 A CB 1.207 20.304 19.000 0.163 0.000 1.161 468 A HN 0.810 nan 8.150 nan 0.000 0.497 469 V N 1.459 121.497 119.914 0.205 0.000 2.378 469 V HA 0.362 4.482 4.120 -0.000 0.000 0.288 469 V C 0.641 176.776 176.094 0.068 0.000 1.016 469 V CA -0.485 61.895 62.300 0.133 0.000 0.840 469 V CB 1.290 33.195 31.823 0.136 0.000 0.994 469 V HN 0.983 nan 8.190 nan 0.000 0.431 470 S N 7.222 122.940 115.700 0.031 0.000 2.549 470 S HA 0.175 4.645 4.470 -0.000 0.000 0.286 470 S C -0.653 173.954 174.600 0.012 0.000 1.314 470 S CA -0.694 57.517 58.200 0.018 0.000 1.062 470 S CB 0.904 64.102 63.200 -0.002 0.000 0.865 470 S HN 0.712 nan 8.310 nan 0.000 0.498 471 P HA 0.014 nan 4.420 nan 0.000 0.230 471 P C -0.003 177.297 177.300 0.000 0.000 1.158 471 P CA 0.752 63.858 63.100 0.010 0.000 0.769 471 P CB 0.148 31.855 31.700 0.012 0.000 0.807 472 K N 0.223 120.620 120.400 -0.004 0.000 2.699 472 K HA 0.212 4.532 4.320 -0.000 0.000 0.210 472 K C 0.268 176.855 176.600 -0.022 0.000 1.076 472 K CA -1.067 55.213 56.287 -0.012 0.000 1.109 472 K CB -0.365 32.129 32.500 -0.009 0.000 0.862 472 K HN 0.125 nan 8.250 nan 0.000 0.470 473 L N 2.611 123.818 121.223 -0.026 0.000 2.534 473 L HA 0.143 4.483 4.340 -0.000 0.000 0.271 473 L C 0.052 176.894 176.870 -0.046 0.000 1.178 473 L CA 0.201 55.015 54.840 -0.044 0.000 0.907 473 L CB -0.150 41.882 42.059 -0.044 0.000 1.164 473 L HN 0.249 nan 8.230 nan 0.000 0.482 474 I N 4.122 124.660 120.570 -0.053 0.000 2.910 474 I HA 0.731 4.901 4.170 -0.000 0.000 0.310 474 I C -2.339 173.742 176.117 -0.060 0.000 1.043 474 I CA -2.346 58.924 61.300 -0.050 0.000 1.053 474 I CB 1.769 39.745 38.000 -0.041 0.000 1.242 474 I HN 0.433 nan 8.210 nan 0.000 0.452 478 Q N 0.317 120.128 119.800 0.017 0.000 2.553 478 Q HA 0.737 5.077 4.340 -0.000 0.000 0.293 478 Q C -1.257 174.739 176.000 -0.006 0.000 1.038 478 Q CA -0.756 55.047 55.803 0.000 0.000 0.777 478 Q CB 3.073 31.827 28.738 0.025 0.000 1.487 478 Q HN 0.582 nan 8.270 nan 0.000 0.426 479 V N -2.010 117.887 119.914 -0.028 0.000 2.757 479 V HA 0.362 4.482 4.120 -0.000 0.000 0.262 479 V C -0.022 176.105 176.094 0.056 0.000 0.971 479 V CA -0.534 61.776 62.300 0.017 0.000 0.906 479 V CB 0.928 32.776 31.823 0.041 0.000 1.056 479 V HN 0.759 nan 8.190 nan 0.000 0.489 480 T N 1.955 116.561 114.554 0.087 0.000 3.081 480 T HA 0.291 4.641 4.350 -0.000 0.000 0.250 480 T C 0.670 175.468 174.700 0.164 0.000 1.100 480 T CA 1.445 63.654 62.100 0.182 0.000 1.038 480 T CB 0.158 69.106 68.868 0.134 0.000 0.962 480 T HN 0.866 nan 8.240 nan 0.000 0.516 481 T N 0.000 114.619 114.554 0.108 0.000 3.816 481 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 481 T CA 0.000 62.147 62.100 0.079 0.000 1.349 481 T CB 0.000 68.901 68.868 0.055 0.000 0.612 481 T HN 0.000 nan 8.240 nan 0.000 0.658