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_C 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 XXXXXXXXGD 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 0.000 174.827 174.700 0.212 0.000 1.109 1 T CA 0.000 62.184 62.100 0.140 0.000 1.349 1 T CB 0.000 68.898 68.868 0.050 0.000 0.612 2 K N 2.816 123.322 120.400 0.176 0.000 2.234 2 K HA 0.609 4.929 4.320 -0.000 0.000 0.277 2 K C -1.011 175.710 176.600 0.202 0.000 1.038 2 K CA -0.577 55.835 56.287 0.207 0.000 0.888 2 K CB 0.446 33.044 32.500 0.163 0.000 1.091 2 K HN 0.349 nan 8.250 nan 0.000 0.467 3 F N 3.601 123.566 119.950 0.024 0.000 2.385 3 F HA 0.320 4.847 4.527 -0.000 0.000 0.336 3 F C -0.222 175.557 175.800 -0.035 0.000 1.100 3 F CA -0.161 57.891 58.000 0.086 0.000 1.116 3 F CB 0.603 39.627 39.000 0.040 0.000 1.166 3 F HN 0.412 nan 8.300 nan 0.000 0.511 4 Y N -0.014 120.384 120.300 0.164 0.000 2.562 4 Y HA 0.384 4.934 4.550 -0.000 0.000 0.343 4 Y C 0.975 176.940 175.900 0.108 0.000 1.025 4 Y CA -0.890 57.277 58.100 0.113 0.000 1.082 4 Y CB 1.829 40.330 38.460 0.069 0.000 1.264 4 Y HN 0.506 nan 8.280 nan 0.000 0.478 5 T N -0.966 113.727 114.554 0.232 0.000 3.000 5 T HA 0.018 4.367 4.350 -0.000 0.000 0.248 5 T C -0.419 174.360 174.700 0.131 0.000 1.034 5 T CA 0.421 62.611 62.100 0.150 0.000 1.060 5 T CB 0.125 69.051 68.868 0.097 0.000 0.983 5 T HN 0.498 nan 8.240 nan 0.000 0.482 6 D N 0.502 120.996 120.400 0.157 0.000 2.391 6 D HA 0.538 5.178 4.640 -0.000 0.000 0.245 6 D C 0.884 177.233 176.300 0.082 0.000 1.069 6 D CA -0.288 53.774 54.000 0.103 0.000 0.831 6 D CB 2.060 42.916 40.800 0.093 0.000 1.204 6 D HN 0.097 nan 8.370 nan 0.000 0.503 7 A N 3.490 126.325 122.820 0.025 0.000 1.902 7 A HA -0.105 4.214 4.320 -0.000 0.000 0.217 7 A C 2.196 179.748 177.584 -0.054 0.000 1.181 7 A CA 1.267 53.288 52.037 -0.027 0.000 0.623 7 A CB -0.509 18.470 19.000 -0.035 0.000 0.818 7 A HN 0.513 nan 8.150 nan 0.000 0.443 8 V N -0.004 119.894 119.914 -0.027 0.000 2.332 8 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 8 V C 2.563 178.642 176.094 -0.024 0.000 1.055 8 V CA 2.454 64.734 62.300 -0.033 0.000 1.038 8 V CB -0.765 31.050 31.823 -0.014 0.000 0.651 8 V HN 0.671 nan 8.190 nan 0.000 0.450 9 E N 0.305 120.525 120.200 0.033 0.000 2.160 9 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 9 E C 2.084 178.699 176.600 0.025 0.000 0.991 9 E CA 1.438 57.902 56.400 0.108 0.000 0.810 9 E CB -0.380 29.470 29.700 0.250 0.000 0.742 9 E HN 0.586 nan 8.360 nan 0.000 0.466 10 A N -0.345 122.343 122.820 -0.220 0.000 2.016 10 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 10 A C 2.013 179.423 177.584 -0.289 0.000 1.162 10 A CA 1.303 52.968 52.037 -0.620 0.000 0.662 10 A CB -0.072 18.495 19.000 -0.722 0.000 0.812 10 A HN 0.282 nan 8.150 nan 0.000 0.450 11 V N -3.054 116.744 119.914 -0.193 0.000 3.528 11 V HA 0.225 4.345 4.120 -0.000 0.000 0.294 11 V C 1.603 177.570 176.094 -0.211 0.000 1.404 11 V CA 0.795 62.962 62.300 -0.222 0.000 1.065 11 V CB -0.431 31.266 31.823 -0.209 0.000 0.904 11 V HN 0.465 nan 8.190 nan 0.000 0.435 12 K N 2.649 122.980 120.400 -0.115 0.000 2.173 12 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 12 K C 1.458 178.014 176.600 -0.074 0.000 1.046 12 K CA 2.370 58.616 56.287 -0.068 0.000 0.929 12 K CB -0.153 32.344 32.500 -0.004 0.000 0.720 12 K HN 0.795 nan 8.250 nan 0.000 0.453 13 D N 0.115 120.470 120.400 -0.075 0.000 2.368 13 D HA 0.008 4.648 4.640 -0.000 0.000 0.218 13 D C 0.364 176.593 176.300 -0.118 0.000 1.112 13 D CA -0.240 53.744 54.000 -0.027 0.000 0.834 13 D CB -0.247 40.614 40.800 0.103 0.000 0.953 13 D HN 0.212 nan 8.370 nan 0.000 0.505 14 I N 3.101 123.427 120.570 -0.407 0.000 2.587 14 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 14 I C -1.732 174.275 176.117 -0.184 0.000 1.134 14 I CA -1.297 59.661 61.300 -0.571 0.000 1.410 14 I CB 0.522 38.087 38.000 -0.725 0.000 1.392 14 I HN -0.144 nan 8.210 nan 0.000 0.545 15 P HA 0.125 nan 4.420 nan 0.000 0.276 15 P C -0.886 176.407 177.300 -0.012 0.000 1.244 15 P CA -0.586 62.515 63.100 0.001 0.000 0.801 15 P CB 0.647 32.381 31.700 0.057 0.000 1.006 16 N N 0.198 118.892 118.700 -0.010 0.000 2.441 16 N HA 0.144 4.884 4.740 -0.000 0.000 0.251 16 N C 1.586 177.098 175.510 0.004 0.000 1.242 16 N CA 1.419 54.462 53.050 -0.010 0.000 0.898 16 N CB -0.330 38.152 38.487 -0.008 0.000 1.100 16 N HN 0.800 nan 8.380 nan 0.000 0.443 17 G N -0.592 108.209 108.800 0.002 0.000 2.168 17 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.263 17 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.263 17 G C 0.338 175.252 174.900 0.023 0.000 0.977 17 G CA 0.527 45.633 45.100 0.010 0.000 0.659 17 G HN 0.920 nan 8.290 nan 0.000 0.533 18 A N -0.311 122.528 122.820 0.032 0.000 2.366 18 A HA 0.655 4.975 4.320 -0.000 0.000 0.249 18 A C 0.716 178.336 177.584 0.060 0.000 1.084 18 A CA 1.092 53.169 52.037 0.067 0.000 0.794 18 A CB 0.416 19.479 19.000 0.104 0.000 1.034 18 A HN 0.743 nan 8.150 nan 0.000 0.491 19 T N 1.591 116.193 114.554 0.080 0.000 2.733 19 T HA 0.484 4.834 4.350 -0.000 0.000 0.294 19 T C -0.451 174.306 174.700 0.095 0.000 0.956 19 T CA -0.132 62.005 62.100 0.063 0.000 0.987 19 T CB 0.482 69.380 68.868 0.050 0.000 0.920 19 T HN 0.413 nan 8.240 nan 0.000 0.470 20 V N 5.613 125.569 119.914 0.070 0.000 2.448 20 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 20 V C -0.088 176.037 176.094 0.051 0.000 1.025 20 V CA -0.977 61.374 62.300 0.086 0.000 0.859 20 V CB 1.625 33.477 31.823 0.049 0.000 0.988 20 V HN 0.741 nan 8.190 nan 0.000 0.431 21 L N 5.078 126.340 121.223 0.066 0.000 2.292 21 L HA 0.632 4.972 4.340 -0.000 0.000 0.284 21 L C -0.603 176.287 176.870 0.034 0.000 1.065 21 L CA -0.613 54.252 54.840 0.041 0.000 0.806 21 L CB 1.432 43.522 42.059 0.053 0.000 1.175 21 L HN 0.340 nan 8.230 nan 0.000 0.431 22 V N 2.429 122.346 119.914 0.004 0.000 2.409 22 V HA 0.419 4.539 4.120 -0.000 0.000 0.290 22 V C 0.770 176.864 176.094 0.000 0.000 1.017 22 V CA -0.590 61.709 62.300 -0.001 0.000 0.841 22 V CB 1.342 33.146 31.823 -0.031 0.000 1.003 22 V HN 0.924 nan 8.190 nan 0.000 0.426 23 G N 2.678 111.504 108.800 0.044 0.000 2.712 23 G HA2 0.558 4.518 3.960 -0.000 0.000 0.258 23 G HA3 0.558 4.518 3.960 -0.000 0.000 0.258 23 G C 0.363 175.304 174.900 0.069 0.000 1.241 23 G CA 0.437 45.586 45.100 0.080 0.000 0.923 23 G HN 1.764 nan 8.290 nan 0.000 0.548 24 G N -2.218 106.657 108.800 0.125 0.000 2.770 24 G HA2 0.314 4.274 3.960 -0.000 0.000 0.686 24 G HA3 0.314 4.274 3.960 -0.000 0.000 0.686 24 G C -0.986 174.028 174.900 0.189 0.000 1.180 24 G CA -0.248 44.933 45.100 0.136 0.000 0.767 24 G HN 1.327 nan 8.290 nan 0.000 0.646 25 F N 3.218 123.214 119.950 0.077 0.000 2.427 25 F HA 0.627 5.154 4.527 -0.000 0.000 0.348 25 F C 1.176 177.014 175.800 0.063 0.000 1.125 25 F CA 1.312 59.366 58.000 0.090 0.000 0.989 25 F CB 1.229 40.302 39.000 0.123 0.000 1.165 25 F HN 2.181 nan 8.300 nan 0.000 0.442 26 G N 5.253 113.795 108.800 -0.430 0.000 2.602 26 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.310 26 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.310 26 G C 0.406 175.282 174.900 -0.039 0.000 1.183 26 G CA 0.511 45.461 45.100 -0.250 0.000 0.979 26 G HN 0.767 nan 8.290 nan 0.000 0.545 27 L N 0.286 121.538 121.223 0.048 0.000 2.959 27 L HA 0.338 4.678 4.340 -0.000 0.000 0.259 27 L C 1.092 178.051 176.870 0.148 0.000 1.185 27 L CA -0.380 54.541 54.840 0.136 0.000 0.998 27 L CB 0.878 43.039 42.059 0.170 0.000 1.337 27 L HN 0.548 nan 8.230 nan 0.000 0.555 28 C N 1.449 120.830 119.300 0.135 0.000 2.394 28 C HA 0.550 5.010 4.460 -0.000 0.000 0.362 28 C C 1.687 176.752 174.990 0.125 0.000 1.268 28 C CA 0.288 59.384 59.018 0.129 0.000 1.828 28 C CB -0.674 27.161 27.740 0.159 0.000 2.442 28 C HN 0.838 nan 8.230 nan 0.000 0.549 29 G N 6.173 115.030 108.800 0.095 0.000 2.295 29 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.287 29 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.287 29 G C -0.103 174.869 174.900 0.120 0.000 1.055 29 G CA 0.629 45.789 45.100 0.099 0.000 0.922 29 G HN 1.402 nan 8.290 nan 0.000 0.503 30 I N -2.124 118.522 120.570 0.127 0.000 2.488 30 I HA 0.667 4.837 4.170 -0.000 0.000 0.299 30 I C -1.921 174.260 176.117 0.106 0.000 0.984 30 I CA -3.144 58.210 61.300 0.090 0.000 1.250 30 I CB 1.948 39.976 38.000 0.048 0.000 1.389 30 I HN -0.068 nan 8.210 nan 0.000 0.488 31 P HA 0.120 nan 4.420 nan 0.000 0.231 31 P C 0.176 177.484 177.300 0.013 0.000 1.811 31 P CA -0.182 62.970 63.100 0.086 0.000 1.051 31 P CB 0.076 31.813 31.700 0.063 0.000 1.951 32 E N 1.325 121.538 120.200 0.022 0.000 2.160 32 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 32 E C 1.110 177.647 176.600 -0.106 0.000 0.991 32 E CA 0.896 57.225 56.400 -0.118 0.000 0.810 32 E CB -0.518 29.148 29.700 -0.058 0.000 0.742 32 E HN 0.286 nan 8.360 nan 0.000 0.466 33 N N 1.031 119.684 118.700 -0.077 0.000 2.171 33 N HA -0.046 4.694 4.740 -0.000 0.000 0.184 33 N C 2.107 177.574 175.510 -0.071 0.000 1.021 33 N CA 0.951 53.938 53.050 -0.106 0.000 0.854 33 N CB -0.090 38.312 38.487 -0.142 0.000 0.994 33 N HN 0.243 nan 8.380 nan 0.000 0.426 34 L N 1.001 122.197 121.223 -0.045 0.000 2.141 34 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 34 L C 2.234 179.061 176.870 -0.072 0.000 1.094 34 L CA 0.735 55.544 54.840 -0.052 0.000 0.763 34 L CB -0.315 41.727 42.059 -0.028 0.000 0.908 34 L HN 0.094 nan 8.230 nan 0.000 0.437 35 I N -0.171 120.349 120.570 -0.083 0.000 2.315 35 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 35 I C 2.600 178.656 176.117 -0.101 0.000 1.117 35 I CA 1.293 62.531 61.300 -0.103 0.000 1.404 35 I CB -0.711 37.201 38.000 -0.146 0.000 1.071 35 I HN 0.250 nan 8.210 nan 0.000 0.419 36 G N 0.525 109.264 108.800 -0.101 0.000 2.422 36 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 36 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 36 G C 1.853 176.714 174.900 -0.065 0.000 1.146 36 G CA 0.764 45.816 45.100 -0.080 0.000 0.769 36 G HN 0.480 nan 8.290 nan 0.000 0.547 37 A N 0.563 123.342 122.820 -0.068 0.000 1.972 37 A HA 0.139 4.459 4.320 -0.000 0.000 0.219 37 A C 2.346 179.887 177.584 -0.071 0.000 1.169 37 A CA 0.967 52.965 52.037 -0.064 0.000 0.635 37 A CB -0.296 18.662 19.000 -0.070 0.000 0.810 37 A HN 0.355 nan 8.150 nan 0.000 0.446 38 L N -0.697 120.478 121.223 -0.080 0.000 2.291 38 L HA -0.100 4.240 4.340 -0.000 0.000 0.214 38 L C 2.374 179.205 176.870 -0.065 0.000 1.120 38 L CA 0.568 55.358 54.840 -0.084 0.000 0.799 38 L CB -0.503 41.503 42.059 -0.090 0.000 0.925 38 L HN 0.397 nan 8.230 nan 0.000 0.446 39 L N -0.227 120.962 121.223 -0.058 0.000 2.056 39 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 39 L C 2.607 179.455 176.870 -0.037 0.000 1.078 39 L CA 1.421 56.234 54.840 -0.044 0.000 0.749 39 L CB -0.350 41.685 42.059 -0.040 0.000 0.901 39 L HN 0.225 nan 8.230 nan 0.000 0.433 40 K N -0.953 119.424 120.400 -0.038 0.000 2.057 40 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 40 K C 2.128 178.708 176.600 -0.033 0.000 1.050 40 K CA 1.555 57.824 56.287 -0.030 0.000 0.935 40 K CB -0.303 32.181 32.500 -0.027 0.000 0.715 40 K HN 0.135 nan 8.250 nan 0.000 0.439 41 T N -0.387 114.140 114.554 -0.045 0.000 2.720 41 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 41 T C 1.308 175.981 174.700 -0.045 0.000 1.037 41 T CA 1.679 63.748 62.100 -0.051 0.000 1.144 41 T CB -0.437 68.385 68.868 -0.076 0.000 0.864 41 T HN 0.621 nan 8.240 nan 0.000 0.444 42 G N 0.418 109.191 108.800 -0.045 0.000 2.162 42 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 42 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 42 G C 0.417 175.293 174.900 -0.041 0.000 0.976 42 G CA 0.396 45.474 45.100 -0.037 0.000 0.655 42 G HN 0.766 nan 8.290 nan 0.000 0.533 43 V N 0.182 120.063 119.914 -0.055 0.000 2.788 43 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 43 V C 0.686 176.753 176.094 -0.045 0.000 1.069 43 V CA 1.074 63.340 62.300 -0.057 0.000 1.173 43 V CB 0.792 32.562 31.823 -0.088 0.000 0.925 43 V HN 0.451 nan 8.190 nan 0.000 0.492 44 K N 3.422 123.801 120.400 -0.034 0.000 2.261 44 K HA 0.533 4.853 4.320 -0.000 0.000 0.242 44 K C -0.005 176.583 176.600 -0.019 0.000 1.083 44 K CA -0.738 55.533 56.287 -0.026 0.000 0.880 44 K CB 1.236 33.724 32.500 -0.020 0.000 1.353 44 K HN 0.654 nan 8.250 nan 0.000 0.486 45 E N 0.885 121.076 120.200 -0.015 0.000 2.440 45 E HA -0.238 4.112 4.350 -0.000 0.000 0.246 45 E C -0.797 175.798 176.600 -0.008 0.000 1.165 45 E CA 0.163 56.557 56.400 -0.010 0.000 0.726 45 E CB -1.571 28.126 29.700 -0.006 0.000 1.271 45 E HN 0.290 nan 8.360 nan 0.000 0.397 46 L N 0.105 121.321 121.223 -0.012 0.000 2.436 46 L HA 0.197 4.537 4.340 -0.000 0.000 0.265 46 L C 0.936 177.803 176.870 -0.005 0.000 1.168 46 L CA 0.129 54.964 54.840 -0.009 0.000 0.815 46 L CB 0.833 42.880 42.059 -0.019 0.000 1.109 46 L HN -0.082 nan 8.230 nan 0.000 0.462 47 T N 2.347 116.902 114.554 0.002 0.000 2.929 47 T HA 0.450 4.800 4.350 -0.000 0.000 0.331 47 T C 0.038 174.738 174.700 -0.000 0.000 1.120 47 T CA -0.429 61.672 62.100 0.001 0.000 0.973 47 T CB 0.712 69.584 68.868 0.007 0.000 1.036 47 T HN 0.630 nan 8.240 nan 0.000 0.502 48 A N 3.330 126.143 122.820 -0.011 0.000 2.279 48 A HA 0.584 4.904 4.320 -0.000 0.000 0.306 48 A C 0.453 178.016 177.584 -0.035 0.000 1.300 48 A CA -0.674 51.352 52.037 -0.020 0.000 0.925 48 A CB 0.222 19.205 19.000 -0.028 0.000 1.152 48 A HN 0.749 nan 8.150 nan 0.000 0.544 49 V N 3.017 122.912 119.914 -0.032 0.000 2.348 49 V HA 0.719 4.839 4.120 -0.000 0.000 0.270 49 V C -0.138 175.899 176.094 -0.096 0.000 1.037 49 V CA 0.423 62.690 62.300 -0.056 0.000 0.872 49 V CB 0.574 32.382 31.823 -0.025 0.000 1.002 49 V HN 0.975 nan 8.190 nan 0.000 0.464 50 S N 4.073 119.680 115.700 -0.155 0.000 2.536 50 S HA 0.388 4.858 4.470 -0.000 0.000 0.271 50 S C 0.551 174.950 174.600 -0.335 0.000 1.134 50 S CA -0.317 57.750 58.200 -0.222 0.000 0.897 50 S CB 1.967 65.073 63.200 -0.158 0.000 1.094 50 S HN 0.972 nan 8.310 nan 0.000 0.473 51 N N 3.391 121.778 118.700 -0.522 0.000 2.104 51 N HA -0.003 4.737 4.740 -0.000 0.000 0.190 51 N C 0.120 175.447 175.510 -0.304 0.000 1.024 51 N CA 1.764 54.481 53.050 -0.555 0.000 0.853 51 N CB -0.080 37.983 38.487 -0.706 0.000 1.008 51 N HN 0.717 nan 8.380 nan 0.000 0.424 52 N N -2.408 116.129 118.700 -0.272 0.000 2.629 52 N HA 0.558 5.297 4.740 -0.000 0.000 0.279 52 N C -1.185 174.175 175.510 -0.250 0.000 1.344 52 N CA -0.425 52.474 53.050 -0.252 0.000 0.789 52 N CB 1.510 39.862 38.487 -0.226 0.000 1.508 52 N HN 0.031 nan 8.380 nan 0.000 0.516 53 A N 0.237 122.878 122.820 -0.298 0.000 2.532 53 A HA 0.587 4.907 4.320 -0.000 0.000 0.273 53 A C 1.168 178.669 177.584 -0.139 0.000 1.342 53 A CA 0.320 52.210 52.037 -0.245 0.000 0.929 53 A CB -1.394 17.365 19.000 -0.402 0.000 1.051 53 A HN 0.925 nan 8.150 nan 0.000 0.521 54 G N -0.649 108.082 108.800 -0.115 0.000 2.652 54 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.318 54 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.318 54 G C 0.272 175.165 174.900 -0.012 0.000 1.295 54 G CA 0.528 45.604 45.100 -0.040 0.000 0.999 54 G HN 1.060 nan 8.290 nan 0.000 0.548 55 V N 0.614 120.557 119.914 0.050 0.000 3.126 55 V HA 0.414 4.534 4.120 -0.000 0.000 0.314 55 V C 1.147 177.284 176.094 0.071 0.000 1.138 55 V CA 0.215 62.551 62.300 0.060 0.000 1.034 55 V CB 1.798 33.674 31.823 0.089 0.000 1.075 55 V HN 0.795 nan 8.190 nan 0.000 0.442 56 D N 0.992 121.432 120.400 0.066 0.000 2.116 56 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 56 D C 1.359 177.705 176.300 0.077 0.000 0.998 56 D CA 2.090 56.130 54.000 0.067 0.000 0.836 56 D CB 0.103 40.937 40.800 0.057 0.000 0.951 56 D HN 0.675 nan 8.370 nan 0.000 0.449 57 N N -1.290 117.470 118.700 0.100 0.000 2.322 57 N HA -0.022 4.717 4.740 -0.000 0.000 0.194 57 N C -0.580 175.081 175.510 0.253 0.000 1.126 57 N CA -0.103 53.024 53.050 0.128 0.000 0.845 57 N CB 0.472 39.015 38.487 0.094 0.000 0.976 57 N HN -0.030 nan 8.380 nan 0.000 0.475 58 F N -1.158 118.794 119.950 0.004 0.000 2.744 58 F HA 0.425 4.952 4.527 -0.000 0.000 0.311 58 F C 0.361 176.161 175.800 -0.000 0.000 1.144 58 F CA 0.574 58.576 58.000 0.004 0.000 0.938 58 F CB 0.799 39.804 39.000 0.008 0.000 1.292 58 F HN 0.080 nan 8.300 nan 0.000 0.444 59 G N 2.472 110.905 108.800 -0.613 0.000 2.512 59 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 59 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 59 G C 0.255 175.031 174.900 -0.207 0.000 1.199 59 G CA 0.125 45.005 45.100 -0.367 0.000 0.941 59 G HN 1.298 nan 8.290 nan 0.000 0.569 60 L N 2.425 123.574 121.223 -0.122 0.000 2.362 60 L HA 0.250 4.590 4.340 -0.000 0.000 0.219 60 L C 2.953 179.792 176.870 -0.050 0.000 1.134 60 L CA 2.840 57.628 54.840 -0.087 0.000 0.807 60 L CB -0.741 41.270 42.059 -0.081 0.000 0.927 60 L HN 0.987 nan 8.230 nan 0.000 0.447 61 G N -0.600 108.180 108.800 -0.033 0.000 2.442 61 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 61 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 61 G C 1.554 176.457 174.900 0.005 0.000 1.141 61 G CA 0.988 46.095 45.100 0.011 0.000 0.763 61 G HN 0.416 nan 8.290 nan 0.000 0.554 62 L N -0.506 120.701 121.223 -0.026 0.000 2.042 62 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 62 L C 2.657 179.511 176.870 -0.027 0.000 1.076 62 L CA 0.438 55.262 54.840 -0.027 0.000 0.749 62 L CB -0.399 41.620 42.059 -0.067 0.000 0.893 62 L HN 0.138 nan 8.230 nan 0.000 0.432 63 L N -0.833 120.367 121.223 -0.038 0.000 2.376 63 L HA -0.113 4.227 4.340 -0.000 0.000 0.219 63 L C 2.168 179.031 176.870 -0.012 0.000 1.133 63 L CA 1.378 56.200 54.840 -0.031 0.000 0.816 63 L CB -0.407 41.627 42.059 -0.041 0.000 0.933 63 L HN 0.177 nan 8.230 nan 0.000 0.449 64 L N -1.972 119.253 121.223 0.004 0.000 2.127 64 L HA -0.114 4.226 4.340 -0.000 0.000 0.203 64 L C 2.445 179.323 176.870 0.013 0.000 1.080 64 L CA 0.643 55.496 54.840 0.021 0.000 0.768 64 L CB -0.351 41.746 42.059 0.062 0.000 0.924 64 L HN 0.257 nan 8.230 nan 0.000 0.444 65 Q N -0.002 119.807 119.800 0.014 0.000 2.096 65 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 65 Q C 2.133 178.135 176.000 0.002 0.000 0.982 65 Q CA 1.994 57.804 55.803 0.012 0.000 0.850 65 Q CB -0.099 28.648 28.738 0.015 0.000 0.901 65 Q HN 0.548 nan 8.270 nan 0.000 0.422 66 S N -0.511 115.187 115.700 -0.004 0.000 2.650 66 S HA 0.084 4.554 4.470 -0.000 0.000 0.219 66 S C 0.305 174.899 174.600 -0.011 0.000 0.960 66 S CA 0.071 58.266 58.200 -0.009 0.000 0.925 66 S CB 0.253 63.444 63.200 -0.015 0.000 0.775 66 S HN 0.157 nan 8.310 nan 0.000 0.525 67 K N 0.579 120.974 120.400 -0.009 0.000 3.130 67 K HA -0.221 4.099 4.320 -0.000 0.000 0.282 67 K C 0.658 177.250 176.600 -0.014 0.000 1.145 67 K CA 1.312 57.593 56.287 -0.011 0.000 0.831 67 K CB -2.521 29.973 32.500 -0.011 0.000 1.226 67 K HN 0.698 nan 8.250 nan 0.000 0.478 68 Q N -0.444 119.347 119.800 -0.016 0.000 2.482 68 Q HA 0.118 4.458 4.340 -0.000 0.000 0.209 68 Q C 0.263 176.251 176.000 -0.020 0.000 0.961 68 Q CA 0.576 56.366 55.803 -0.021 0.000 0.945 68 Q CB 0.184 28.904 28.738 -0.029 0.000 1.012 68 Q HN 0.459 nan 8.270 nan 0.000 0.515 69 I N 0.729 121.291 120.570 -0.015 0.000 2.474 69 I HA 0.109 4.279 4.170 -0.000 0.000 0.294 69 I C 0.742 176.852 176.117 -0.011 0.000 1.005 69 I CA -0.431 60.861 61.300 -0.012 0.000 1.113 69 I CB 1.814 39.810 38.000 -0.006 0.000 1.289 69 I HN -0.005 nan 8.210 nan 0.000 0.436 70 K N 4.342 124.735 120.400 -0.011 0.000 2.365 70 K HA 0.371 4.691 4.320 -0.000 0.000 0.195 70 K C 0.811 177.403 176.600 -0.014 0.000 1.079 70 K CA -0.146 56.134 56.287 -0.012 0.000 0.979 70 K CB 0.787 33.282 32.500 -0.008 0.000 0.929 70 K HN 0.348 nan 8.250 nan 0.000 0.523 74 S N 1.413 117.041 115.700 -0.119 0.000 2.697 74 S HA 0.520 4.990 4.470 -0.000 0.000 0.289 74 S C 0.558 175.088 174.600 -0.117 0.000 1.149 74 S CA -0.218 57.884 58.200 -0.163 0.000 0.850 74 S CB 2.033 65.104 63.200 -0.214 0.000 1.151 74 S HN 0.654 nan 8.310 nan 0.000 0.491 75 S N -0.475 115.163 115.700 -0.103 0.000 2.499 75 S HA 0.233 4.703 4.470 -0.000 0.000 0.225 75 S C -0.157 174.492 174.600 0.081 0.000 1.050 75 S CA 0.044 58.233 58.200 -0.018 0.000 0.928 75 S CB -0.180 63.024 63.200 0.007 0.000 0.803 75 S HN 0.743 nan 8.310 nan 0.000 0.506 76 Y N 1.740 121.971 120.300 -0.116 0.000 2.332 76 Y HA 0.506 5.056 4.550 -0.000 0.000 0.325 76 Y C -0.294 175.474 175.900 -0.219 0.000 1.054 76 Y CA -1.169 56.868 58.100 -0.104 0.000 1.119 76 Y CB 2.054 40.477 38.460 -0.061 0.000 1.168 76 Y HN 0.083 nan 8.280 nan 0.000 0.439 77 V N 3.163 122.593 119.914 -0.805 0.000 3.043 77 V HA 0.629 4.749 4.120 -0.000 0.000 0.357 77 V C 0.803 176.367 176.094 -0.883 0.000 1.372 77 V CA 0.338 62.075 62.300 -0.939 0.000 1.214 77 V CB -0.340 30.685 31.823 -1.330 0.000 1.224 77 V HN 0.849 nan 8.190 nan 0.000 0.507 78 G N 0.118 108.203 108.800 -1.193 0.000 2.621 78 G HA2 0.473 4.433 3.960 -0.000 0.000 0.271 78 G HA3 0.473 4.433 3.960 -0.000 0.000 0.271 78 G C 0.244 175.024 174.900 -0.199 0.000 1.236 78 G CA -0.002 44.748 45.100 -0.582 0.000 0.958 78 G HN 0.525 nan 8.290 nan 0.000 0.512 79 E N -1.413 118.768 120.200 -0.032 0.000 2.722 79 E HA -0.176 4.174 4.350 -0.000 0.000 0.265 79 E C -0.009 176.593 176.600 0.003 0.000 1.081 79 E CA 1.138 57.547 56.400 0.016 0.000 0.781 79 E CB -1.323 28.405 29.700 0.048 0.000 1.372 79 E HN 0.442 nan 8.360 nan 0.000 0.423 80 N N -1.144 117.560 118.700 0.006 0.000 2.640 80 N HA 0.463 5.203 4.740 -0.000 0.000 0.262 80 N C 0.589 176.178 175.510 0.131 0.000 1.174 80 N CA 0.565 53.649 53.050 0.056 0.000 0.791 80 N CB 0.787 39.288 38.487 0.023 0.000 1.279 80 N HN 0.062 nan 8.380 nan 0.000 0.535 81 A N 2.210 125.086 122.820 0.093 0.000 1.865 81 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 81 A C 1.819 179.458 177.584 0.092 0.000 1.191 81 A CA 1.870 53.958 52.037 0.085 0.000 0.623 81 A CB -0.418 18.613 19.000 0.051 0.000 0.826 81 A HN 0.667 nan 8.150 nan 0.000 0.444 82 E N -0.630 119.622 120.200 0.086 0.000 2.118 82 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 82 E C 1.607 178.253 176.600 0.076 0.000 0.992 82 E CA 1.659 58.099 56.400 0.066 0.000 0.804 82 E CB -0.548 29.188 29.700 0.059 0.000 0.741 82 E HN 0.594 nan 8.360 nan 0.000 0.458 83 F N 1.213 121.166 119.950 0.006 0.000 2.069 83 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 83 F C 2.256 178.095 175.800 0.065 0.000 1.113 83 F CA 2.262 60.266 58.000 0.007 0.000 1.214 83 F CB -0.494 38.488 39.000 -0.030 0.000 0.978 83 F HN 0.112 nan 8.300 nan 0.000 0.474 84 E N 0.252 120.546 120.200 0.157 0.000 2.070 84 E HA -0.310 4.039 4.350 -0.000 0.000 0.197 84 E C 2.539 179.118 176.600 -0.035 0.000 1.004 84 E CA 1.525 57.983 56.400 0.097 0.000 0.805 84 E CB -0.330 29.465 29.700 0.158 0.000 0.744 84 E HN 0.400 nan 8.360 nan 0.000 0.451 85 R N 0.339 120.824 120.500 -0.025 0.000 2.083 85 R HA -0.229 4.111 4.340 -0.000 0.000 0.237 85 R C 2.318 178.576 176.300 -0.069 0.000 1.137 85 R CA 2.096 58.170 56.100 -0.043 0.000 0.951 85 R CB -0.155 30.132 30.300 -0.022 0.000 0.851 85 R HN 0.296 nan 8.270 nan 0.000 0.434 86 Q N -1.063 118.675 119.800 -0.103 0.000 2.119 86 Q HA -0.203 4.137 4.340 -0.000 0.000 0.201 86 Q C 1.880 177.826 176.000 -0.090 0.000 0.972 86 Q CA 1.449 57.185 55.803 -0.110 0.000 0.847 86 Q CB -0.179 28.475 28.738 -0.141 0.000 0.903 86 Q HN 0.377 nan 8.270 nan 0.000 0.433 87 Y N 1.215 121.280 120.300 -0.392 0.000 2.133 87 Y HA -0.159 4.391 4.550 -0.000 0.000 0.287 87 Y C 1.796 177.665 175.900 -0.051 0.000 1.134 87 Y CA 1.221 59.138 58.100 -0.305 0.000 1.133 87 Y CB -0.501 37.642 38.460 -0.528 0.000 0.987 87 Y HN 0.023 nan 8.280 nan 0.000 0.502 88 L N -0.247 120.900 121.223 -0.127 0.000 2.191 88 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 88 L C 2.428 179.202 176.870 -0.160 0.000 1.103 88 L CA 1.155 55.826 54.840 -0.281 0.000 0.769 88 L CB -0.802 41.101 42.059 -0.260 0.000 0.908 88 L HN 0.243 nan 8.230 nan 0.000 0.438 89 A N -0.271 122.504 122.820 -0.073 0.000 2.251 89 A HA 0.318 4.638 4.320 -0.000 0.000 0.209 89 A C 1.661 179.245 177.584 0.000 0.000 1.187 89 A CA 0.584 52.595 52.037 -0.044 0.000 0.823 89 A CB -0.442 18.534 19.000 -0.039 0.000 0.846 89 A HN 0.476 nan 8.150 nan 0.000 0.486 90 G N -0.236 108.593 108.800 0.048 0.000 2.246 90 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.273 90 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.273 90 G C 0.302 175.227 174.900 0.041 0.000 1.055 90 G CA 0.652 45.800 45.100 0.081 0.000 0.851 90 G HN 0.637 nan 8.290 nan 0.000 0.500 91 E N -1.699 118.514 120.200 0.022 0.000 2.413 91 E HA 0.279 4.629 4.350 -0.000 0.000 0.203 91 E C 0.651 177.245 176.600 -0.009 0.000 0.957 91 E CA -0.111 56.288 56.400 -0.001 0.000 0.950 91 E CB 0.694 30.384 29.700 -0.017 0.000 0.957 91 E HN 0.395 nan 8.360 nan 0.000 0.497 92 L N 1.735 122.951 121.223 -0.012 0.000 2.362 92 L HA 0.324 4.664 4.340 -0.000 0.000 0.275 92 L C -1.015 175.848 176.870 -0.012 0.000 0.998 92 L CA -0.572 54.240 54.840 -0.047 0.000 0.820 92 L CB 1.685 43.651 42.059 -0.156 0.000 1.270 92 L HN -0.194 nan 8.230 nan 0.000 0.415 93 E N 3.727 123.913 120.200 -0.024 0.000 2.227 93 E HA 0.579 4.929 4.350 -0.000 0.000 0.282 93 E C -1.260 175.296 176.600 -0.072 0.000 1.015 93 E CA -0.612 55.779 56.400 -0.015 0.000 0.823 93 E CB 2.053 31.748 29.700 -0.009 0.000 1.081 93 E HN 0.417 nan 8.360 nan 0.000 0.396 94 V N 2.779 122.629 119.914 -0.106 0.000 2.709 94 V HA 0.204 4.324 4.120 -0.000 0.000 0.308 94 V C -0.481 175.571 176.094 -0.070 0.000 1.062 94 V CA -0.747 61.451 62.300 -0.170 0.000 0.901 94 V CB 1.999 33.503 31.823 -0.530 0.000 1.003 94 V HN 0.692 nan 8.190 nan 0.000 0.425 95 E N 4.012 124.184 120.200 -0.047 0.000 2.267 95 E HA 0.407 4.757 4.350 -0.000 0.000 0.241 95 E C -0.827 175.765 176.600 -0.014 0.000 0.950 95 E CA -0.422 55.969 56.400 -0.016 0.000 0.776 95 E CB 1.033 30.722 29.700 -0.019 0.000 1.207 95 E HN 0.569 nan 8.360 nan 0.000 0.436 96 L N 3.164 124.404 121.223 0.028 0.000 2.654 96 L HA 0.051 4.391 4.340 -0.000 0.000 0.271 96 L C 0.102 176.959 176.870 -0.022 0.000 1.169 96 L CA 0.636 55.496 54.840 0.034 0.000 0.947 96 L CB -0.203 41.953 42.059 0.162 0.000 1.232 96 L HN 0.322 nan 8.230 nan 0.000 0.486 97 T N 4.847 119.371 114.554 -0.050 0.000 2.792 97 T HA 0.353 4.703 4.350 -0.000 0.000 0.280 97 T C -2.399 172.247 174.700 -0.090 0.000 0.990 97 T CA -1.421 60.639 62.100 -0.068 0.000 0.960 97 T CB 1.729 70.569 68.868 -0.048 0.000 0.939 97 T HN 0.330 nan 8.240 nan 0.000 0.439 98 P HA -0.005 nan 4.420 nan 0.000 0.262 98 P C 0.715 177.924 177.300 -0.151 0.000 1.182 98 P CA 0.176 63.191 63.100 -0.141 0.000 0.761 98 P CB 0.927 32.542 31.700 -0.143 0.000 0.795 99 Q N 3.398 123.091 119.800 -0.179 0.000 2.062 99 Q HA -0.207 4.133 4.340 -0.000 0.000 0.209 99 Q C 2.223 177.865 176.000 -0.597 0.000 0.996 99 Q CA 2.611 58.277 55.803 -0.229 0.000 0.859 99 Q CB -0.878 27.782 28.738 -0.129 0.000 0.920 99 Q HN 0.695 nan 8.270 nan 0.000 0.415 100 G N -0.806 107.283 108.800 -1.186 0.000 2.446 100 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 100 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 100 G C 1.368 176.116 174.900 -0.254 0.000 1.168 100 G CA 1.313 45.781 45.100 -1.052 0.000 0.771 100 G HN 0.393 nan 8.290 nan 0.000 0.551 101 T N 1.043 115.530 114.554 -0.113 0.000 2.708 101 T HA -0.130 4.219 4.350 -0.000 0.000 0.266 101 T C 2.260 177.016 174.700 0.092 0.000 1.037 101 T CA 1.202 63.344 62.100 0.071 0.000 1.146 101 T CB -0.278 68.615 68.868 0.040 0.000 0.865 101 T HN 0.125 nan 8.240 nan 0.000 0.435 102 L N 1.401 122.648 121.223 0.040 0.000 2.043 102 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 102 L C 2.573 179.570 176.870 0.211 0.000 1.075 102 L CA 2.057 56.969 54.840 0.120 0.000 0.752 102 L CB -0.990 41.137 42.059 0.114 0.000 0.891 102 L HN 0.239 nan 8.230 nan 0.000 0.432 103 A N -1.253 121.670 122.820 0.171 0.000 1.873 103 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 103 A C 2.228 179.792 177.584 -0.033 0.000 1.186 103 A CA 1.550 53.598 52.037 0.018 0.000 0.616 103 A CB -0.603 18.270 19.000 -0.211 0.000 0.823 103 A HN 0.487 nan 8.150 nan 0.000 0.442 104 E N 0.073 120.246 120.200 -0.046 0.000 2.051 104 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 104 E C 2.273 178.785 176.600 -0.146 0.000 0.991 104 E CA 1.049 57.323 56.400 -0.209 0.000 0.799 104 E CB -0.344 29.148 29.700 -0.346 0.000 0.748 104 E HN 0.596 nan 8.360 nan 0.000 0.449 105 R N 0.177 120.774 120.500 0.162 0.000 2.096 105 R HA -0.116 4.224 4.340 -0.000 0.000 0.240 105 R C 2.611 178.973 176.300 0.103 0.000 1.139 105 R CA 1.454 57.711 56.100 0.261 0.000 0.952 105 R CB -0.461 29.973 30.300 0.223 0.000 0.854 105 R HN 0.212 nan 8.270 nan 0.000 0.436 106 I N 0.222 120.835 120.570 0.071 0.000 2.179 106 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 106 I C 2.837 178.946 176.117 -0.013 0.000 1.088 106 I CA 1.291 62.617 61.300 0.044 0.000 1.357 106 I CB -0.336 37.713 38.000 0.082 0.000 1.051 106 I HN 0.200 nan 8.210 nan 0.000 0.409 107 R N 1.427 121.890 120.500 -0.061 0.000 2.083 107 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 107 R C 2.381 178.627 176.300 -0.091 0.000 1.137 107 R CA 1.743 57.780 56.100 -0.105 0.000 0.951 107 R CB -0.333 29.875 30.300 -0.154 0.000 0.851 107 R HN 0.345 nan 8.270 nan 0.000 0.434 108 A N 0.379 123.139 122.820 -0.099 0.000 1.948 108 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 108 A C 2.344 179.927 177.584 -0.001 0.000 1.177 108 A CA 1.789 53.795 52.037 -0.052 0.000 0.636 108 A CB -1.241 17.775 19.000 0.026 0.000 0.815 108 A HN 0.625 nan 8.150 nan 0.000 0.449 109 G N -1.160 107.646 108.800 0.010 0.000 2.470 109 G HA2 0.111 4.071 3.960 -0.000 0.000 0.220 109 G HA3 0.111 4.071 3.960 -0.000 0.000 0.220 109 G C 1.210 176.115 174.900 0.008 0.000 1.121 109 G CA 1.173 46.283 45.100 0.018 0.000 0.766 109 G HN 0.799 nan 8.290 nan 0.000 0.553 110 G N -0.678 108.114 108.800 -0.013 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 1.080 175.988 174.900 0.013 0.000 1.116 110 G CA 0.934 46.029 45.100 -0.008 0.000 0.767 110 G HN 0.531 nan 8.290 nan 0.000 0.547 111 A N -0.254 122.564 122.820 -0.002 0.000 2.503 111 A HA 0.543 4.863 4.320 -0.000 0.000 0.263 111 A C 1.656 179.247 177.584 0.012 0.000 1.258 111 A CA 0.850 52.891 52.037 0.007 0.000 0.936 111 A CB -0.228 18.756 19.000 -0.027 0.000 1.070 111 A HN 1.382 nan 8.150 nan 0.000 0.522 112 G N -0.898 107.913 108.800 0.019 0.000 2.176 112 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.252 112 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.252 112 G C -0.052 174.858 174.900 0.017 0.000 1.024 112 G CA 0.284 45.396 45.100 0.020 0.000 0.755 112 G HN 0.908 nan 8.290 nan 0.000 0.507 113 V N 1.567 121.491 119.914 0.017 0.000 2.350 113 V HA 0.367 4.487 4.120 -0.000 0.000 0.285 113 V C -0.207 175.919 176.094 0.052 0.000 1.014 113 V CA -0.718 61.599 62.300 0.029 0.000 0.831 113 V CB 1.801 33.635 31.823 0.018 0.000 1.000 113 V HN 0.161 nan 8.190 nan 0.000 0.433 114 P HA 0.062 nan 4.420 nan 0.000 0.217 114 P C 0.299 177.622 177.300 0.038 0.000 1.151 114 P CA 0.988 64.108 63.100 0.034 0.000 0.828 114 P CB 0.837 32.546 31.700 0.015 0.000 0.788 115 A N -1.092 121.753 122.820 0.042 0.000 2.612 115 A HA 0.671 4.991 4.320 -0.000 0.000 0.293 115 A C -1.422 176.180 177.584 0.030 0.000 1.075 115 A CA -0.634 51.388 52.037 -0.025 0.000 0.680 115 A CB 0.719 19.622 19.000 -0.163 0.000 1.279 115 A HN 0.121 nan 8.150 nan 0.000 0.411 116 F N -1.890 117.923 119.950 -0.228 0.000 2.711 116 F HA 0.828 5.355 4.527 -0.000 0.000 0.313 116 F C -1.808 173.790 175.800 -0.337 0.000 1.141 116 F CA -1.451 56.408 58.000 -0.236 0.000 0.941 116 F CB 0.748 39.672 39.000 -0.127 0.000 1.349 116 F HN 0.472 nan 8.300 nan 0.000 0.464 117 Y N 0.308 120.573 120.300 -0.059 0.000 2.360 117 Y HA 0.655 5.205 4.550 -0.000 0.000 0.337 117 Y C 0.356 176.265 175.900 0.015 0.000 1.039 117 Y CA -0.528 57.493 58.100 -0.131 0.000 1.109 117 Y CB 2.016 40.305 38.460 -0.285 0.000 1.201 117 Y HN 0.907 nan 8.280 nan 0.000 0.458 118 T N -0.080 114.664 114.554 0.316 0.000 2.894 118 T HA 0.307 4.657 4.350 -0.000 0.000 0.309 118 T C 0.419 175.449 174.700 0.551 0.000 1.208 118 T CA -0.203 62.148 62.100 0.419 0.000 1.016 118 T CB 0.938 70.004 68.868 0.331 0.000 1.192 118 T HN 0.623 nan 8.240 nan 0.000 0.491 119 S N 1.437 117.454 115.700 0.527 0.000 2.524 119 S HA 0.152 4.622 4.470 -0.000 0.000 0.216 119 S C 0.819 175.526 174.600 0.178 0.000 0.987 119 S CA -0.093 58.233 58.200 0.210 0.000 0.909 119 S CB -0.297 62.871 63.200 -0.054 0.000 0.781 119 S HN 0.721 nan 8.310 nan 0.000 0.521 120 T N 2.693 117.358 114.554 0.185 0.000 2.829 120 T HA 0.464 4.814 4.350 -0.000 0.000 0.293 120 T C 1.336 176.088 174.700 0.087 0.000 0.970 120 T CA 0.928 63.099 62.100 0.117 0.000 1.168 120 T CB 0.336 69.263 68.868 0.099 0.000 0.911 120 T HN 0.866 nan 8.240 nan 0.000 0.535 121 G N 2.869 111.698 108.800 0.048 0.000 2.213 121 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.236 121 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.236 121 G C 0.060 174.994 174.900 0.056 0.000 0.991 121 G CA -0.116 44.990 45.100 0.010 0.000 0.629 121 G HN 0.794 nan 8.290 nan 0.000 0.517 122 Y N 1.500 121.808 120.300 0.013 0.000 2.702 122 Y HA 0.335 4.885 4.550 -0.000 0.000 0.336 122 Y C 1.570 177.473 175.900 0.005 0.000 1.235 122 Y CA 1.293 59.403 58.100 0.017 0.000 1.492 122 Y CB 0.682 39.145 38.460 0.005 0.000 1.308 122 Y HN 1.500 nan 8.280 nan 0.000 0.589 123 G N 3.050 111.246 108.800 -1.007 0.000 2.168 123 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.257 123 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.257 123 G C 0.239 174.987 174.900 -0.252 0.000 0.997 123 G CA 0.620 45.298 45.100 -0.702 0.000 0.708 123 G HN 0.893 nan 8.290 nan 0.000 0.520 124 T N -0.986 113.478 114.554 -0.149 0.000 2.940 124 T HA 0.569 4.919 4.350 -0.000 0.000 0.288 124 T C 1.866 176.584 174.700 0.030 0.000 1.045 124 T CA -0.349 61.746 62.100 -0.009 0.000 1.018 124 T CB 1.285 70.139 68.868 -0.023 0.000 1.151 124 T HN 0.063 nan 8.240 nan 0.000 0.529 125 L N 1.473 122.782 121.223 0.143 0.000 2.129 125 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 125 L C 2.543 179.461 176.870 0.080 0.000 1.087 125 L CA 1.093 56.021 54.840 0.148 0.000 0.757 125 L CB -0.524 41.715 42.059 0.299 0.000 0.896 125 L HN 0.487 nan 8.230 nan 0.000 0.434 126 V N -0.381 119.551 119.914 0.031 0.000 2.287 126 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 126 V C 2.488 178.588 176.094 0.010 0.000 1.053 126 V CA 2.163 64.459 62.300 -0.007 0.000 1.027 126 V CB -0.595 31.188 31.823 -0.066 0.000 0.646 126 V HN 0.572 nan 8.190 nan 0.000 0.447 127 Q N 0.571 120.379 119.800 0.012 0.000 2.137 127 Q HA -0.185 4.155 4.340 -0.000 0.000 0.198 127 Q C 2.083 178.101 176.000 0.030 0.000 0.960 127 Q CA 1.943 57.767 55.803 0.036 0.000 0.847 127 Q CB 0.003 28.769 28.738 0.047 0.000 0.915 127 Q HN 0.904 nan 8.270 nan 0.000 0.448 128 E N -0.672 119.533 120.200 0.008 0.000 2.474 128 E HA 0.282 4.632 4.350 -0.000 0.000 0.194 128 E C 0.665 177.279 176.600 0.023 0.000 1.041 128 E CA 0.363 56.770 56.400 0.011 0.000 0.874 128 E CB 0.196 29.890 29.700 -0.010 0.000 0.914 128 E HN 0.327 nan 8.360 nan 0.000 0.498 129 G N 0.149 108.968 108.800 0.031 0.000 2.814 129 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.677 129 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.677 129 G C 0.642 175.566 174.900 0.039 0.000 1.429 129 G CA -0.248 44.871 45.100 0.032 0.000 0.868 129 G HN 0.934 nan 8.290 nan 0.000 0.553 130 G N -1.757 107.063 108.800 0.035 0.000 2.184 130 G HA2 0.132 4.092 3.960 -0.000 0.000 0.206 130 G HA3 0.132 4.092 3.960 -0.000 0.000 0.206 130 G C 0.842 175.769 174.900 0.045 0.000 0.995 130 G CA 1.395 46.515 45.100 0.032 0.000 0.651 130 G HN 2.364 nan 8.290 nan 0.000 0.511 131 S N 2.804 118.548 115.700 0.074 0.000 2.533 131 S HA 0.499 4.969 4.470 -0.000 0.000 0.282 131 S C -1.748 172.873 174.600 0.036 0.000 1.304 131 S CA -0.405 57.864 58.200 0.114 0.000 1.063 131 S CB 0.861 64.159 63.200 0.164 0.000 0.881 131 S HN 0.317 nan 8.310 nan 0.000 0.493 132 P HA 0.125 nan 4.420 nan 0.000 0.269 132 P C 0.324 177.566 177.300 -0.097 0.000 1.252 132 P CA 0.092 63.063 63.100 -0.216 0.000 0.780 132 P CB 0.336 31.707 31.700 -0.549 0.000 0.829 133 I N 2.502 123.020 120.570 -0.086 0.000 2.731 133 I HA 0.085 4.255 4.170 -0.000 0.000 0.260 133 I C 1.276 177.402 176.117 0.014 0.000 1.138 133 I CA 0.884 62.181 61.300 -0.005 0.000 1.461 133 I CB 0.186 38.179 38.000 -0.012 0.000 1.128 133 I HN 0.310 nan 8.210 nan 0.000 0.438 134 K N 0.352 120.705 120.400 -0.079 0.000 2.581 134 K HA 0.328 4.648 4.320 -0.000 0.000 0.249 134 K C -1.636 174.900 176.600 -0.107 0.000 0.966 134 K CA -0.525 55.744 56.287 -0.030 0.000 0.811 134 K CB 1.578 34.082 32.500 0.006 0.000 1.223 134 K HN -0.220 nan 8.250 nan 0.000 0.438 135 Y N 1.377 121.682 120.300 0.008 0.000 2.392 135 Y HA 0.302 4.852 4.550 -0.000 0.000 0.323 135 Y C 0.499 176.377 175.900 -0.037 0.000 1.291 135 Y CA -0.253 57.816 58.100 -0.051 0.000 1.345 135 Y CB 1.168 39.547 38.460 -0.136 0.000 1.320 135 Y HN 0.577 nan 8.280 nan 0.000 0.518 136 N N 0.045 118.840 118.700 0.159 0.000 2.296 136 N HA 0.255 4.995 4.740 -0.000 0.000 0.294 136 N C -0.147 175.382 175.510 0.031 0.000 1.033 136 N CA -0.872 52.219 53.050 0.068 0.000 0.839 136 N CB 2.212 40.725 38.487 0.043 0.000 1.395 136 N HN 0.301 nan 8.380 nan 0.000 0.479 137 K N 1.667 122.068 120.400 0.003 0.000 2.528 137 K HA -0.338 3.982 4.320 -0.000 0.000 0.204 137 K C 1.191 177.762 176.600 -0.048 0.000 0.852 137 K CA 2.874 59.145 56.287 -0.027 0.000 0.955 137 K CB -1.204 31.284 32.500 -0.020 0.000 1.245 137 K HN 0.957 nan 8.250 nan 0.000 0.546 138 D N -1.439 118.941 120.400 -0.032 0.000 2.350 138 D HA -0.000 4.640 4.640 -0.000 0.000 0.216 138 D C 1.206 177.468 176.300 -0.064 0.000 0.968 138 D CA 1.619 55.593 54.000 -0.042 0.000 0.894 138 D CB -0.036 40.750 40.800 -0.024 0.000 0.909 138 D HN 0.547 nan 8.370 nan 0.000 0.520 139 G N -0.731 108.025 108.800 -0.073 0.000 2.231 139 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.206 139 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.206 139 G C 0.533 175.445 174.900 0.019 0.000 0.996 139 G CA 0.221 45.244 45.100 -0.129 0.000 0.645 139 G HN 0.780 nan 8.290 nan 0.000 0.498 140 S N -0.075 115.661 115.700 0.060 0.000 2.633 140 S HA 0.713 5.183 4.470 -0.000 0.000 0.257 140 S C 0.371 175.073 174.600 0.170 0.000 1.265 140 S CA -0.346 57.909 58.200 0.091 0.000 0.980 140 S CB 1.200 64.425 63.200 0.043 0.000 1.017 140 S HN 0.608 nan 8.310 nan 0.000 0.577 141 I N 0.950 121.572 120.570 0.087 0.000 2.339 141 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 141 I C 0.975 177.092 176.117 -0.001 0.000 0.994 141 I CA -0.748 60.561 61.300 0.015 0.000 1.191 141 I CB 1.562 39.534 38.000 -0.046 0.000 1.343 141 I HN 0.860 nan 8.210 nan 0.000 0.458 142 A N 7.316 130.131 122.820 -0.009 0.000 1.903 142 A HA 0.321 4.641 4.320 -0.000 0.000 0.213 142 A C 0.898 178.472 177.584 -0.017 0.000 1.185 142 A CA 0.977 53.013 52.037 -0.002 0.000 0.628 142 A CB 0.126 19.132 19.000 0.011 0.000 0.830 142 A HN 0.624 nan 8.150 nan 0.000 0.446 143 I N -0.048 120.499 120.570 -0.038 0.000 2.439 143 I HA 0.523 4.693 4.170 -0.000 0.000 0.285 143 I C -0.303 175.784 176.117 -0.050 0.000 1.021 143 I CA -0.537 60.744 61.300 -0.032 0.000 1.091 143 I CB 1.888 39.875 38.000 -0.021 0.000 1.242 143 I HN 0.190 nan 8.210 nan 0.000 0.439 144 A N 4.515 127.316 122.820 -0.032 0.000 2.324 144 A HA 0.698 5.018 4.320 -0.000 0.000 0.330 144 A C 0.326 177.905 177.584 -0.008 0.000 1.165 144 A CA -0.518 51.504 52.037 -0.027 0.000 0.813 144 A CB 1.081 20.071 19.000 -0.016 0.000 1.197 144 A HN 0.782 nan 8.150 nan 0.000 0.484 145 S N 2.114 117.816 115.700 0.003 0.000 2.569 145 S HA 0.229 4.699 4.470 -0.000 0.000 0.274 145 S C -0.069 174.539 174.600 0.012 0.000 1.353 145 S CA 0.170 58.377 58.200 0.011 0.000 1.023 145 S CB 0.210 63.426 63.200 0.026 0.000 0.876 145 S HN 0.637 nan 8.310 nan 0.000 0.540 146 K N 1.742 122.148 120.400 0.009 0.000 2.156 146 K HA 0.498 4.818 4.320 -0.000 0.000 0.250 146 K C -2.461 174.148 176.600 0.014 0.000 0.955 146 K CA -2.415 53.878 56.287 0.011 0.000 0.855 146 K CB 0.957 33.461 32.500 0.007 0.000 1.101 146 K HN 0.548 nan 8.250 nan 0.000 0.434 147 P HA 0.013 nan 4.420 nan 0.000 0.267 147 P C -0.868 176.449 177.300 0.028 0.000 1.200 147 P CA -0.007 63.110 63.100 0.028 0.000 0.772 147 P CB 0.637 32.357 31.700 0.033 0.000 0.855 148 R N 1.970 122.493 120.500 0.039 0.000 2.428 148 R HA 0.312 4.652 4.340 -0.000 0.000 0.294 148 R C 0.507 176.857 176.300 0.082 0.000 1.000 148 R CA -0.784 55.338 56.100 0.037 0.000 0.960 148 R CB 0.623 30.941 30.300 0.031 0.000 1.076 148 R HN 0.540 nan 8.270 nan 0.000 0.475 149 E N 0.911 121.160 120.200 0.083 0.000 2.392 149 E HA 0.130 4.480 4.350 -0.000 0.000 0.264 149 E C -0.389 176.348 176.600 0.229 0.000 1.024 149 E CA -0.108 56.374 56.400 0.137 0.000 0.903 149 E CB 0.938 30.717 29.700 0.131 0.000 0.963 149 E HN 0.107 nan 8.360 nan 0.000 0.432 150 V N 3.372 123.421 119.914 0.225 0.000 2.459 150 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 150 V C -0.048 176.140 176.094 0.158 0.000 1.029 150 V CA -0.570 61.882 62.300 0.253 0.000 0.874 150 V CB 1.539 33.540 31.823 0.296 0.000 0.985 150 V HN 0.609 nan 8.190 nan 0.000 0.438 151 R N 3.103 123.657 120.500 0.090 0.000 2.626 151 R HA 0.507 4.847 4.340 -0.000 0.000 0.274 151 R C -1.003 175.155 176.300 -0.237 0.000 1.031 151 R CA -0.614 55.395 56.100 -0.151 0.000 0.898 151 R CB 2.271 32.407 30.300 -0.274 0.000 1.222 151 R HN 0.936 nan 8.270 nan 0.000 0.455 152 E N 3.743 123.660 120.200 -0.472 0.000 2.191 152 E HA 0.390 4.740 4.350 -0.000 0.000 0.274 152 E C -1.481 174.823 176.600 -0.494 0.000 0.948 152 E CA -0.599 55.546 56.400 -0.426 0.000 0.802 152 E CB 1.295 30.591 29.700 -0.673 0.000 1.137 152 E HN 0.289 nan 8.360 nan 0.000 0.397 153 F N 1.574 121.537 119.950 0.023 0.000 2.539 153 F HA 0.285 4.812 4.527 -0.000 0.000 0.318 153 F C -0.334 175.513 175.800 0.078 0.000 1.135 153 F CA -1.097 56.904 58.000 0.003 0.000 0.915 153 F CB 1.726 40.661 39.000 -0.108 0.000 1.176 153 F HN 0.664 nan 8.300 nan 0.000 0.440 154 N N 1.389 120.173 118.700 0.139 0.000 2.725 154 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 154 N C 0.925 176.477 175.510 0.070 0.000 1.031 154 N CA 0.840 53.948 53.050 0.097 0.000 0.720 154 N CB -1.118 37.446 38.487 0.128 0.000 0.930 154 N HN 1.235 nan 8.380 nan 0.000 0.543 155 G N -1.513 107.293 108.800 0.010 0.000 2.184 155 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.264 155 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.264 155 G C -0.057 174.833 174.900 -0.017 0.000 0.975 155 G CA 0.816 45.909 45.100 -0.012 0.000 0.642 155 G HN 0.712 nan 8.290 nan 0.000 0.536 156 Q N -0.410 119.379 119.800 -0.019 0.000 2.297 156 Q HA 0.612 4.952 4.340 -0.000 0.000 0.268 156 Q C -0.768 175.012 176.000 -0.368 0.000 1.045 156 Q CA -0.921 54.788 55.803 -0.157 0.000 0.861 156 Q CB 1.012 29.605 28.738 -0.242 0.000 1.344 156 Q HN 0.479 nan 8.270 nan 0.000 0.452 157 H N 1.088 119.748 119.070 -0.683 0.000 2.489 157 H HA 0.436 4.992 4.556 -0.000 0.000 0.322 157 H C -1.229 173.544 175.328 -0.925 0.000 1.091 157 H CA 0.209 55.779 56.048 -0.796 0.000 1.291 157 H CB 0.554 29.492 29.762 -1.373 0.000 1.436 157 H HN 0.357 nan 8.280 nan 0.000 0.480 158 F N 1.890 121.785 119.950 -0.091 0.000 2.603 158 F HA 0.466 4.993 4.527 -0.000 0.000 0.317 158 F C -0.056 175.882 175.800 0.229 0.000 1.066 158 F CA -1.179 56.877 58.000 0.093 0.000 0.941 158 F CB 1.499 40.586 39.000 0.144 0.000 1.291 158 F HN 0.370 nan 8.300 nan 0.000 0.472 159 I N 0.497 121.357 120.570 0.483 0.000 2.646 159 I HA 0.670 4.840 4.170 -0.000 0.000 0.299 159 I C -1.517 174.735 176.117 0.226 0.000 1.036 159 I CA -1.220 60.299 61.300 0.364 0.000 1.074 159 I CB 2.041 40.181 38.000 0.235 0.000 1.258 159 I HN 0.436 nan 8.210 nan 0.000 0.430 160 L N 4.451 125.694 121.223 0.033 0.000 2.290 160 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 160 L C -0.373 176.271 176.870 -0.377 0.000 1.078 160 L CA 0.615 55.203 54.840 -0.420 0.000 0.815 160 L CB 0.355 42.163 42.059 -0.418 0.000 1.162 160 L HN 0.579 nan 8.230 nan 0.000 0.435 161 E N 4.561 124.377 120.200 -0.640 0.000 2.199 161 E HA 0.366 4.716 4.350 -0.000 0.000 0.269 161 E C -0.972 175.316 176.600 -0.519 0.000 0.899 161 E CA -0.527 55.530 56.400 -0.571 0.000 0.772 161 E CB 1.754 31.015 29.700 -0.732 0.000 1.155 161 E HN 0.595 nan 8.360 nan 0.000 0.408 162 E N 0.765 120.828 120.200 -0.229 0.000 2.242 162 E HA 0.528 4.878 4.350 -0.000 0.000 0.275 162 E C -0.349 176.265 176.600 0.023 0.000 1.002 162 E CA -0.839 55.503 56.400 -0.096 0.000 0.841 162 E CB 1.556 31.217 29.700 -0.065 0.000 1.109 162 E HN 0.512 nan 8.360 nan 0.000 0.394 163 A N 2.829 125.697 122.820 0.081 0.000 2.520 163 A HA 0.187 4.507 4.320 -0.000 0.000 0.235 163 A C -0.081 177.542 177.584 0.064 0.000 1.065 163 A CA 0.244 52.347 52.037 0.110 0.000 0.764 163 A CB 0.028 19.078 19.000 0.084 0.000 1.002 163 A HN 0.548 nan 8.150 nan 0.000 0.502 164 I N 1.821 122.431 120.570 0.067 0.000 2.433 164 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 164 I C 0.199 176.339 176.117 0.038 0.000 1.001 164 I CA -0.450 60.878 61.300 0.046 0.000 1.119 164 I CB 1.622 39.653 38.000 0.050 0.000 1.289 164 I HN 0.907 nan 8.210 nan 0.000 0.438 165 R N 4.520 125.038 120.500 0.031 0.000 2.535 165 R HA 0.695 5.035 4.340 -0.000 0.000 0.274 165 R C -1.068 175.248 176.300 0.028 0.000 1.090 165 R CA -0.731 55.385 56.100 0.027 0.000 0.930 165 R CB 1.475 31.788 30.300 0.022 0.000 1.223 165 R HN 0.630 nan 8.270 nan 0.000 0.441 166 G N 0.554 109.374 108.800 0.033 0.000 2.531 166 G HA2 0.200 4.160 3.960 -0.000 0.000 0.313 166 G HA3 0.200 4.160 3.960 -0.000 0.000 0.313 166 G C -0.138 174.779 174.900 0.029 0.000 1.238 166 G CA -0.627 44.501 45.100 0.046 0.000 0.994 166 G HN 0.712 nan 8.290 nan 0.000 0.493 167 D N -0.992 119.446 120.400 0.063 0.000 2.194 167 D HA 0.047 4.687 4.640 -0.000 0.000 0.204 167 D C -0.153 176.027 176.300 -0.200 0.000 0.964 167 D CA 1.258 55.255 54.000 -0.005 0.000 0.846 167 D CB 0.261 41.163 40.800 0.169 0.000 0.962 167 D HN 0.143 nan 8.370 nan 0.000 0.490 168 F N -0.539 119.429 119.950 0.029 0.000 2.626 168 F HA 0.544 5.071 4.527 -0.000 0.000 0.311 168 F C -0.647 175.168 175.800 0.026 0.000 1.088 168 F CA -1.159 56.860 58.000 0.032 0.000 0.949 168 F CB 2.033 41.041 39.000 0.013 0.000 1.322 168 F HN -0.306 nan 8.300 nan 0.000 0.461 169 A N 2.316 125.273 122.820 0.229 0.000 2.398 169 A HA 0.825 5.145 4.320 -0.000 0.000 0.301 169 A C -1.782 175.876 177.584 0.123 0.000 1.041 169 A CA -0.560 51.556 52.037 0.132 0.000 0.711 169 A CB 1.061 20.108 19.000 0.077 0.000 1.240 169 A HN 0.717 nan 8.150 nan 0.000 0.420 170 L N 3.830 125.105 121.223 0.087 0.000 2.313 170 L HA 0.544 4.884 4.340 -0.000 0.000 0.273 170 L C -0.094 176.819 176.870 0.071 0.000 1.028 170 L CA -0.854 54.025 54.840 0.065 0.000 0.871 170 L CB 1.106 43.183 42.059 0.030 0.000 1.242 170 L HN 0.613 nan 8.230 nan 0.000 0.434 171 V N 0.695 120.664 119.914 0.092 0.000 2.667 171 V HA 0.703 4.823 4.120 -0.000 0.000 0.308 171 V C -0.433 175.758 176.094 0.162 0.000 1.048 171 V CA -0.705 61.673 62.300 0.130 0.000 0.928 171 V CB 2.089 34.009 31.823 0.162 0.000 1.004 171 V HN 0.642 nan 8.190 nan 0.000 0.444 172 K N 3.625 124.146 120.400 0.202 0.000 2.182 172 K HA 0.919 5.239 4.320 -0.000 0.000 0.262 172 K C -0.525 176.272 176.600 0.329 0.000 0.957 172 K CA 0.298 56.717 56.287 0.220 0.000 0.842 172 K CB 1.325 33.938 32.500 0.188 0.000 1.099 172 K HN 1.416 nan 8.250 nan 0.000 0.438 173 A N 2.990 125.952 122.820 0.236 0.000 2.564 173 A HA 0.528 4.848 4.320 -0.000 0.000 0.288 173 A C -0.686 176.985 177.584 0.144 0.000 1.164 173 A CA -0.730 51.409 52.037 0.169 0.000 0.712 173 A CB 0.173 19.063 19.000 -0.183 0.000 1.303 173 A HN 0.868 nan 8.150 nan 0.000 0.418 174 W N 0.753 121.978 121.300 -0.124 0.000 2.539 174 W HA 0.325 4.985 4.660 -0.000 0.000 0.315 174 W C 0.196 176.678 176.519 -0.062 0.000 1.148 174 W CA 1.207 58.498 57.345 -0.091 0.000 1.403 174 W CB -0.089 29.334 29.460 -0.062 0.000 1.168 174 W HN 0.569 nan 8.180 nan 0.000 0.489 175 K N -0.458 119.851 120.400 -0.153 0.000 2.400 175 K HA 0.668 4.988 4.320 -0.000 0.000 0.246 175 K C -1.333 175.272 176.600 0.009 0.000 0.995 175 K CA -0.818 55.362 56.287 -0.179 0.000 0.840 175 K CB 2.148 34.453 32.500 -0.325 0.000 1.293 175 K HN -0.133 nan 8.250 nan 0.000 0.445 176 A N 1.637 124.527 122.820 0.116 0.000 2.459 176 A HA 0.401 4.721 4.320 -0.000 0.000 0.296 176 A C -1.531 176.150 177.584 0.161 0.000 1.039 176 A CA -0.913 51.228 52.037 0.173 0.000 0.698 176 A CB 0.933 19.973 19.000 0.066 0.000 1.261 176 A HN 0.798 nan 8.150 nan 0.000 0.405 177 D N 1.085 121.605 120.400 0.201 0.000 2.383 177 D HA 0.232 4.872 4.640 -0.000 0.000 0.248 177 D C 0.658 177.037 176.300 0.132 0.000 1.170 177 D CA -0.388 53.585 54.000 -0.045 0.000 0.977 177 D CB 0.454 41.142 40.800 -0.187 0.000 1.120 177 D HN 0.489 nan 8.370 nan 0.000 0.481 178 Q N -0.499 119.324 119.800 0.040 0.000 2.541 178 Q HA -0.007 4.332 4.340 -0.000 0.000 0.215 178 Q C 1.309 177.380 176.000 0.118 0.000 0.977 178 Q CA 0.910 56.728 55.803 0.025 0.000 0.934 178 Q CB -0.086 28.555 28.738 -0.162 0.000 0.988 178 Q HN 0.621 nan 8.270 nan 0.000 0.521 179 A N -0.375 122.540 122.820 0.158 0.000 2.147 179 A HA 0.337 4.657 4.320 -0.000 0.000 0.211 179 A C 1.560 179.290 177.584 0.244 0.000 1.160 179 A CA 0.883 53.015 52.037 0.159 0.000 0.781 179 A CB 0.270 19.320 19.000 0.084 0.000 0.842 179 A HN 0.414 nan 8.150 nan 0.000 0.475 180 G N -0.884 108.084 108.800 0.280 0.000 2.192 180 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 180 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 180 G C -0.239 174.716 174.900 0.091 0.000 0.999 180 G CA -0.125 45.065 45.100 0.149 0.000 0.659 180 G HN 0.370 nan 8.290 nan 0.000 0.503 181 N N 0.652 119.436 118.700 0.140 0.000 2.483 181 N HA 0.403 5.143 4.740 -0.000 0.000 0.264 181 N C -0.063 175.482 175.510 0.057 0.000 1.197 181 N CA 0.393 53.509 53.050 0.110 0.000 0.927 181 N CB 2.008 40.610 38.487 0.192 0.000 1.065 181 N HN 0.158 nan 8.380 nan 0.000 0.461 182 V N 1.329 121.158 119.914 -0.141 0.000 2.628 182 V HA 0.530 4.650 4.120 -0.000 0.000 0.306 182 V C 0.376 176.088 176.094 -0.638 0.000 1.045 182 V CA -0.641 61.459 62.300 -0.335 0.000 0.905 182 V CB 1.971 33.618 31.823 -0.292 0.000 0.997 182 V HN 0.846 nan 8.190 nan 0.000 0.436 183 T N 0.788 114.867 114.554 -0.791 0.000 2.916 183 T HA 0.817 5.167 4.350 -0.000 0.000 0.292 183 T C -1.061 173.345 174.700 -0.490 0.000 1.055 183 T CA -0.552 61.080 62.100 -0.779 0.000 1.009 183 T CB 1.765 70.033 68.868 -1.000 0.000 1.118 183 T HN 0.160 nan 8.240 nan 0.000 0.497 184 F N 0.075 120.327 119.950 0.504 0.000 2.538 184 F HA 0.688 5.215 4.527 -0.000 0.000 0.325 184 F C 0.602 176.554 175.800 0.253 0.000 1.066 184 F CA -1.234 56.950 58.000 0.307 0.000 0.946 184 F CB 2.001 41.078 39.000 0.129 0.000 1.199 184 F HN 0.543 nan 8.300 nan 0.000 0.473 185 R N 2.487 123.084 120.500 0.162 0.000 2.460 185 R HA 0.357 4.697 4.340 -0.000 0.000 0.303 185 R C -0.048 175.994 176.300 -0.430 0.000 0.968 185 R CA -0.407 55.514 56.100 -0.298 0.000 0.889 185 R CB 0.748 30.506 30.300 -0.903 0.000 1.123 185 R HN 0.686 nan 8.270 nan 0.000 0.455 186 K N 0.536 120.519 120.400 -0.696 0.000 2.004 186 K HA -0.268 4.052 4.320 -0.000 0.000 0.116 186 K C 0.849 176.734 176.600 -1.191 0.000 1.340 186 K CA 1.970 57.415 56.287 -1.403 0.000 0.509 186 K CB -1.698 30.328 32.500 -0.790 0.000 0.538 186 K HN 0.819 nan 8.250 nan 0.000 0.955 187 S N 0.513 115.764 115.700 -0.748 0.000 2.631 187 S HA 0.283 4.753 4.470 -0.000 0.000 0.217 187 S C 1.497 175.962 174.600 -0.226 0.000 0.958 187 S CA 0.710 58.684 58.200 -0.376 0.000 0.920 187 S CB 0.183 63.260 63.200 -0.206 0.000 0.776 187 S HN 0.645 nan 8.310 nan 0.000 0.517 188 A N 1.687 124.382 122.820 -0.208 0.000 2.209 188 A HA 0.128 4.448 4.320 -0.000 0.000 0.212 188 A C 2.181 179.725 177.584 -0.067 0.000 1.158 188 A CA 0.607 52.599 52.037 -0.074 0.000 0.742 188 A CB -0.518 18.452 19.000 -0.049 0.000 0.790 188 A HN 0.571 nan 8.150 nan 0.000 0.472 189 R N 0.650 121.044 120.500 -0.177 0.000 2.064 189 R HA -0.197 4.143 4.340 -0.000 0.000 0.228 189 R C 1.699 177.777 176.300 -0.370 0.000 1.144 189 R CA 1.770 57.624 56.100 -0.410 0.000 0.932 189 R CB -0.489 29.584 30.300 -0.379 0.000 0.833 189 R HN 0.737 nan 8.270 nan 0.000 0.429 190 N N -0.868 117.682 118.700 -0.250 0.000 1.061 190 N HA -0.356 4.384 4.740 -0.000 0.000 0.140 190 N C 0.957 176.336 175.510 -0.219 0.000 0.477 190 N CA 2.587 55.537 53.050 -0.167 0.000 0.925 190 N CB -1.492 37.047 38.487 0.086 0.000 1.473 190 N HN 0.208 nan 8.380 nan 0.000 0.510 191 F N 0.152 120.060 119.950 -0.071 0.000 2.558 191 F HA 0.181 4.708 4.527 -0.000 0.000 0.298 191 F C 2.231 177.949 175.800 -0.136 0.000 1.119 191 F CA 0.367 58.326 58.000 -0.069 0.000 1.451 191 F CB -0.402 38.598 39.000 -0.001 0.000 1.091 191 F HN 0.265 nan 8.300 nan 0.000 0.563 192 N N 0.699 119.362 118.700 -0.062 0.000 2.094 192 N HA -0.217 4.523 4.740 -0.000 0.000 0.191 192 N C 2.110 177.476 175.510 -0.239 0.000 1.023 192 N CA 1.286 54.255 53.050 -0.134 0.000 0.857 192 N CB -0.647 37.732 38.487 -0.180 0.000 1.013 192 N HN 0.338 nan 8.380 nan 0.000 0.426 193 L N 1.812 122.710 121.223 -0.542 0.000 1.976 193 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 193 L C -1.366 175.401 176.870 -0.171 0.000 1.071 193 L CA 1.003 55.635 54.840 -0.347 0.000 0.746 193 L CB -1.179 40.639 42.059 -0.400 0.000 0.890 193 L HN 0.107 nan 8.230 nan 0.000 0.432 197 K N 0.476 120.719 120.400 -0.261 0.000 2.402 197 K HA 0.459 4.779 4.320 -0.000 0.000 0.203 197 K C 0.827 177.353 176.600 -0.125 0.000 1.077 197 K CA 0.779 56.844 56.287 -0.369 0.000 1.051 197 K CB 0.840 32.945 32.500 -0.658 0.000 0.907 197 K HN 0.242 nan 8.250 nan 0.000 0.554 198 A N 1.372 124.152 122.820 -0.067 0.000 2.713 198 A HA 0.631 4.951 4.320 -0.000 0.000 0.296 198 A C -0.167 177.426 177.584 0.015 0.000 1.255 198 A CA -0.317 51.712 52.037 -0.013 0.000 0.955 198 A CB 0.213 19.207 19.000 -0.011 0.000 1.149 198 A HN 0.157 nan 8.150 nan 0.000 0.538 199 A N -0.892 121.945 122.820 0.028 0.000 2.475 199 A HA 0.639 4.959 4.320 -0.000 0.000 0.301 199 A C 0.746 178.350 177.584 0.033 0.000 1.059 199 A CA -0.313 51.737 52.037 0.023 0.000 0.710 199 A CB 0.826 19.844 19.000 0.029 0.000 1.288 199 A HN 0.066 nan 8.150 nan 0.000 0.408 200 E N 0.654 120.819 120.200 -0.058 0.000 2.070 200 E HA -0.104 4.245 4.350 -0.000 0.000 0.197 200 E C -0.003 176.506 176.600 -0.153 0.000 1.004 200 E CA 1.711 58.041 56.400 -0.116 0.000 0.805 200 E CB 0.084 29.663 29.700 -0.201 0.000 0.744 200 E HN 0.662 nan 8.360 nan 0.000 0.451 201 T N 0.845 115.235 114.554 -0.275 0.000 2.847 201 T HA 0.300 4.650 4.350 -0.000 0.000 0.291 201 T C -0.608 174.144 174.700 0.086 0.000 0.998 201 T CA -0.411 61.596 62.100 -0.155 0.000 0.967 201 T CB 1.892 70.358 68.868 -0.670 0.000 0.954 201 T HN -0.185 nan 8.240 nan 0.000 0.441 202 T N 3.152 117.912 114.554 0.344 0.000 2.767 202 T HA 0.532 4.882 4.350 -0.000 0.000 0.284 202 T C -0.176 174.572 174.700 0.081 0.000 0.973 202 T CA -0.501 61.641 62.100 0.070 0.000 0.996 202 T CB 0.878 69.620 68.868 -0.210 0.000 0.927 202 T HN 0.338 nan 8.240 nan 0.000 0.456 203 V N 4.357 124.325 119.914 0.088 0.000 2.376 203 V HA 0.572 4.691 4.120 -0.000 0.000 0.287 203 V C -0.178 175.936 176.094 0.033 0.000 1.015 203 V CA -0.853 61.475 62.300 0.047 0.000 0.834 203 V CB 1.469 33.320 31.823 0.048 0.000 1.001 203 V HN 0.702 nan 8.190 nan 0.000 0.428 204 V N 5.153 125.074 119.914 0.012 0.000 2.555 204 V HA 0.778 4.898 4.120 -0.000 0.000 0.302 204 V C -0.305 175.811 176.094 0.037 0.000 1.038 204 V CA -0.327 61.997 62.300 0.039 0.000 0.887 204 V CB 1.966 33.812 31.823 0.038 0.000 0.991 204 V HN 1.062 nan 8.190 nan 0.000 0.434 205 E N 5.885 126.137 120.200 0.087 0.000 2.166 205 E HA 0.716 5.066 4.350 -0.000 0.000 0.275 205 E C -0.764 175.940 176.600 0.173 0.000 0.941 205 E CA -0.835 55.642 56.400 0.128 0.000 0.784 205 E CB 2.091 31.885 29.700 0.157 0.000 1.115 205 E HN 0.893 nan 8.360 nan 0.000 0.399 206 V N 0.234 120.251 119.914 0.172 0.000 2.960 206 V HA 0.360 4.480 4.120 -0.000 0.000 0.315 206 V C 0.613 176.832 176.094 0.208 0.000 1.087 206 V CA -0.792 61.595 62.300 0.146 0.000 0.982 206 V CB 1.681 33.547 31.823 0.072 0.000 1.039 206 V HN 0.869 nan 8.190 nan 0.000 0.437 207 E N 0.439 120.699 120.200 0.099 0.000 2.216 207 E HA 0.086 4.436 4.350 -0.000 0.000 0.192 207 E C -0.032 176.661 176.600 0.155 0.000 0.988 207 E CA 1.003 57.458 56.400 0.092 0.000 0.834 207 E CB 0.363 30.051 29.700 -0.021 0.000 0.772 207 E HN 0.805 nan 8.360 nan 0.000 0.479 208 E N -0.286 119.968 120.200 0.089 0.000 2.352 208 E HA 0.356 4.706 4.350 -0.000 0.000 0.280 208 E C -1.630 174.976 176.600 0.010 0.000 0.930 208 E CA -0.291 56.134 56.400 0.042 0.000 0.765 208 E CB 1.608 31.301 29.700 -0.012 0.000 1.219 208 E HN -0.072 nan 8.360 nan 0.000 0.434 209 I N 4.246 124.835 120.570 0.031 0.000 2.355 209 I HA 0.392 4.562 4.170 -0.000 0.000 0.288 209 I C -0.119 175.977 176.117 -0.035 0.000 0.999 209 I CA -1.030 60.296 61.300 0.043 0.000 1.163 209 I CB 1.052 39.130 38.000 0.131 0.000 1.316 209 I HN 0.336 nan 8.210 nan 0.000 0.454 210 V N 2.664 122.509 119.914 -0.115 0.000 3.093 210 V HA 0.628 4.748 4.120 -0.000 0.000 0.320 210 V C -0.591 175.377 176.094 -0.209 0.000 1.093 210 V CA -0.782 61.397 62.300 -0.201 0.000 1.016 210 V CB 1.829 33.445 31.823 -0.346 0.000 1.096 210 V HN 0.672 nan 8.190 nan 0.000 0.452 211 D N 0.678 120.953 120.400 -0.209 0.000 2.312 211 D HA 0.399 5.039 4.640 -0.000 0.000 0.248 211 D C 0.375 176.538 176.300 -0.228 0.000 1.086 211 D CA -0.837 53.055 54.000 -0.181 0.000 0.948 211 D CB 0.663 41.382 40.800 -0.136 0.000 1.162 211 D HN 0.662 nan 8.370 nan 0.000 0.446 212 I N 0.497 120.969 120.570 -0.163 0.000 2.906 212 I HA 0.127 4.297 4.170 -0.000 0.000 0.302 212 I C 1.738 177.766 176.117 -0.149 0.000 1.220 212 I CA 1.337 62.552 61.300 -0.142 0.000 1.441 212 I CB -0.196 37.758 38.000 -0.077 0.000 1.336 212 I HN 0.852 nan 8.210 nan 0.000 0.565 213 G N 3.484 112.194 108.800 -0.150 0.000 2.195 213 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.224 213 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.224 213 G C 0.896 175.698 174.900 -0.163 0.000 0.990 213 G CA 0.334 45.365 45.100 -0.115 0.000 0.639 213 G HN 0.576 nan 8.290 nan 0.000 0.514 214 S N -0.216 115.288 115.700 -0.327 0.000 2.428 214 S HA 0.319 4.789 4.470 -0.000 0.000 0.230 214 S C 0.649 175.080 174.600 -0.282 0.000 1.014 214 S CA 0.661 58.623 58.200 -0.398 0.000 0.957 214 S CB -0.072 62.728 63.200 -0.667 0.000 0.784 214 S HN 0.386 nan 8.310 nan 0.000 0.499 215 F N 1.286 121.178 119.950 -0.096 0.000 2.425 215 F HA 0.655 5.182 4.527 -0.000 0.000 0.331 215 F C 0.469 176.233 175.800 -0.061 0.000 1.085 215 F CA -2.348 55.593 58.000 -0.099 0.000 1.028 215 F CB 0.417 39.341 39.000 -0.127 0.000 1.177 215 F HN -0.106 nan 8.300 nan 0.000 0.487 216 A N 4.819 127.736 122.820 0.162 0.000 2.404 216 A HA 0.374 4.694 4.320 -0.000 0.000 0.273 216 A C -1.386 176.246 177.584 0.079 0.000 1.144 216 A CA -1.244 50.845 52.037 0.086 0.000 0.806 216 A CB -0.141 18.899 19.000 0.067 0.000 1.080 216 A HN 0.586 nan 8.150 nan 0.000 0.509 217 P HA -0.272 nan 4.420 nan 0.000 0.218 217 P C 0.813 178.136 177.300 0.040 0.000 1.152 217 P CA 1.732 64.863 63.100 0.051 0.000 0.857 217 P CB 0.140 31.862 31.700 0.037 0.000 0.787 218 E N -0.096 120.128 120.200 0.040 0.000 2.274 218 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 218 E C 0.481 177.111 176.600 0.051 0.000 0.996 218 E CA 0.801 57.225 56.400 0.041 0.000 0.840 218 E CB -0.588 29.135 29.700 0.039 0.000 0.772 218 E HN 0.388 nan 8.360 nan 0.000 0.491 219 D N 0.933 121.357 120.400 0.039 0.000 2.525 219 D HA 0.233 4.873 4.640 -0.000 0.000 0.229 219 D C 0.079 176.295 176.300 -0.139 0.000 1.202 219 D CA -0.097 53.920 54.000 0.028 0.000 0.828 219 D CB 0.311 41.139 40.800 0.046 0.000 1.008 219 D HN 0.155 nan 8.370 nan 0.000 0.493 220 I N 0.859 121.360 120.570 -0.114 0.000 2.312 220 I HA 0.076 4.246 4.170 -0.000 0.000 0.291 220 I C 1.454 177.536 176.117 -0.058 0.000 1.031 220 I CA -0.339 60.806 61.300 -0.259 0.000 1.293 220 I CB 0.884 38.814 38.000 -0.116 0.000 1.403 220 I HN -0.002 nan 8.210 nan 0.000 0.484 221 H N 6.204 125.209 119.070 -0.107 0.000 2.395 221 H HA 0.155 4.711 4.556 -0.000 0.000 0.299 221 H C 0.003 175.408 175.328 0.128 0.000 1.070 221 H CA 0.468 56.550 56.048 0.057 0.000 1.356 221 H CB 0.544 30.412 29.762 0.177 0.000 1.401 221 H HN 0.314 nan 8.280 nan 0.000 0.524 222 I N 2.403 123.075 120.570 0.169 0.000 2.542 222 I HA 0.172 4.342 4.170 -0.000 0.000 0.278 222 I C -2.524 173.679 176.117 0.143 0.000 1.069 222 I CA -2.485 58.945 61.300 0.217 0.000 1.100 222 I CB 1.692 39.833 38.000 0.234 0.000 1.204 222 I HN -0.103 nan 8.210 nan 0.000 0.470 223 P HA 0.048 nan 4.420 nan 0.000 0.267 223 P C 0.804 178.127 177.300 0.038 0.000 1.200 223 P CA -0.161 62.974 63.100 0.058 0.000 0.772 223 P CB 0.727 32.432 31.700 0.008 0.000 0.855 224 K N 3.037 123.450 120.400 0.022 0.000 2.144 224 K HA -0.212 4.107 4.320 -0.000 0.000 0.209 224 K C 1.835 178.431 176.600 -0.006 0.000 1.047 224 K CA 1.594 57.896 56.287 0.025 0.000 0.927 224 K CB -0.980 31.549 32.500 0.049 0.000 0.716 224 K HN 0.344 nan 8.250 nan 0.000 0.454 225 I N 0.420 120.934 120.570 -0.094 0.000 2.502 225 I HA -0.279 3.891 4.170 -0.000 0.000 0.258 225 I C 1.179 177.215 176.117 -0.135 0.000 1.172 225 I CA 1.338 62.545 61.300 -0.155 0.000 1.430 225 I CB 0.048 37.864 38.000 -0.306 0.000 1.086 225 I HN 0.177 nan 8.210 nan 0.000 0.440 226 Y N -0.490 119.792 120.300 -0.030 0.000 2.497 226 Y HA 0.193 4.743 4.550 -0.000 0.000 0.265 226 Y C 0.963 176.661 175.900 -0.337 0.000 1.111 226 Y CA -0.143 57.875 58.100 -0.136 0.000 1.288 226 Y CB -0.091 38.326 38.460 -0.072 0.000 1.082 226 Y HN -0.208 nan 8.280 nan 0.000 0.536 227 V N 2.612 122.500 119.914 -0.043 0.000 2.313 227 V HA 0.028 4.148 4.120 -0.000 0.000 0.252 227 V C 0.800 176.868 176.094 -0.044 0.000 1.112 227 V CA -0.301 61.941 62.300 -0.095 0.000 0.984 227 V CB -0.177 31.622 31.823 -0.040 0.000 1.157 227 V HN 0.381 nan 8.190 nan 0.000 0.493 228 H N 3.688 122.790 119.070 0.053 0.000 2.307 228 H HA 0.153 4.709 4.556 -0.000 0.000 0.303 228 H C 0.889 176.258 175.328 0.069 0.000 1.073 228 H CA 0.960 57.040 56.048 0.054 0.000 1.338 228 H CB 0.284 30.073 29.762 0.044 0.000 1.389 228 H HN 0.445 nan 8.280 nan 0.000 0.503 229 R N 0.226 120.823 120.500 0.162 0.000 2.561 229 R HA 0.535 4.875 4.340 -0.000 0.000 0.297 229 R C -1.131 175.163 176.300 -0.010 0.000 0.969 229 R CA -0.567 55.615 56.100 0.137 0.000 0.879 229 R CB 2.566 32.893 30.300 0.046 0.000 1.178 229 R HN 0.010 nan 8.270 nan 0.000 0.445 230 L N 2.873 124.058 121.223 -0.065 0.000 2.386 230 L HA 0.734 5.074 4.340 -0.000 0.000 0.271 230 L C -1.401 175.441 176.870 -0.047 0.000 0.993 230 L CA -0.934 53.794 54.840 -0.186 0.000 0.819 230 L CB 2.196 43.937 42.059 -0.528 0.000 1.294 230 L HN 0.463 nan 8.230 nan 0.000 0.414 231 V N 4.397 124.316 119.914 0.008 0.000 2.932 231 V HA 0.424 4.544 4.120 -0.000 0.000 0.307 231 V C -1.143 175.015 176.094 0.107 0.000 1.147 231 V CA -0.776 61.583 62.300 0.098 0.000 0.951 231 V CB 2.259 34.132 31.823 0.083 0.000 1.031 231 V HN 0.836 nan 8.190 nan 0.000 0.426 232 K N 4.459 124.943 120.400 0.140 0.000 2.258 232 K HA 0.586 4.906 4.320 -0.000 0.000 0.284 232 K C 0.340 177.028 176.600 0.145 0.000 1.051 232 K CA 0.156 56.540 56.287 0.161 0.000 0.923 232 K CB 0.938 33.532 32.500 0.156 0.000 1.046 232 K HN 1.038 nan 8.250 nan 0.000 0.474 233 G N 3.357 112.287 108.800 0.217 0.000 2.380 233 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.242 233 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.242 233 G C 0.173 175.017 174.900 -0.094 0.000 1.298 233 G CA -0.277 44.821 45.100 -0.003 0.000 0.878 233 G HN 0.892 nan 8.290 nan 0.000 0.542 234 E N 0.665 120.764 120.200 -0.167 0.000 2.170 234 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 234 E C 0.934 177.447 176.600 -0.145 0.000 0.981 234 E CA 0.629 56.971 56.400 -0.096 0.000 0.830 234 E CB 0.308 29.975 29.700 -0.055 0.000 0.775 234 E HN 0.487 nan 8.360 nan 0.000 0.470 235 K N 0.296 120.509 120.400 -0.311 0.000 2.507 235 K HA 0.257 4.576 4.320 -0.000 0.000 0.251 235 K C -1.997 174.365 176.600 -0.397 0.000 0.943 235 K CA -0.465 55.686 56.287 -0.227 0.000 0.794 235 K CB 1.102 33.544 32.500 -0.095 0.000 1.188 235 K HN -0.176 nan 8.250 nan 0.000 0.428 236 Y N 2.564 122.919 120.300 0.092 0.000 2.332 236 Y HA 0.159 4.709 4.550 -0.000 0.000 0.326 236 Y C 0.375 176.328 175.900 0.087 0.000 0.978 236 Y CA -0.789 57.376 58.100 0.108 0.000 1.205 236 Y CB 1.924 40.443 38.460 0.099 0.000 1.131 236 Y HN 0.646 nan 8.280 nan 0.000 0.462 237 E N 1.720 122.060 120.200 0.233 0.000 2.444 237 E HA 0.081 4.431 4.350 -0.000 0.000 0.191 237 E C -0.114 176.511 176.600 0.042 0.000 1.041 237 E CA -0.244 56.215 56.400 0.098 0.000 0.883 237 E CB 0.139 29.849 29.700 0.018 0.000 1.024 237 E HN 0.270 nan 8.360 nan 0.000 0.470 238 K N 1.458 121.923 120.400 0.109 0.000 3.213 238 K HA -0.229 4.091 4.320 -0.000 0.000 0.266 238 K C -0.055 176.528 176.600 -0.028 0.000 0.911 238 K CA 0.656 56.974 56.287 0.050 0.000 0.684 238 K CB -1.567 30.950 32.500 0.028 0.000 1.402 238 K HN 0.275 nan 8.250 nan 0.000 0.465 239 R N 0.979 121.411 120.500 -0.112 0.000 2.502 239 R HA 0.124 4.464 4.340 -0.000 0.000 0.292 239 R C 0.165 176.398 176.300 -0.111 0.000 0.998 239 R CA 0.430 56.377 56.100 -0.256 0.000 1.056 239 R CB 0.181 30.038 30.300 -0.739 0.000 0.939 239 R HN 0.297 nan 8.270 nan 0.000 0.411 240 I N 4.610 125.123 120.570 -0.094 0.000 2.355 240 I HA 0.119 4.289 4.170 -0.000 0.000 0.288 240 I C 1.160 177.252 176.117 -0.042 0.000 0.999 240 I CA -0.364 60.910 61.300 -0.043 0.000 1.163 240 I CB 1.810 39.790 38.000 -0.034 0.000 1.316 240 I HN 0.812 nan 8.210 nan 0.000 0.454 241 E N 6.143 126.335 120.200 -0.014 0.000 2.047 241 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 241 E C 0.299 176.893 176.600 -0.009 0.000 0.987 241 E CA 1.105 57.501 56.400 -0.006 0.000 0.799 241 E CB 0.465 30.174 29.700 0.016 0.000 0.752 241 E HN 0.486 nan 8.360 nan 0.000 0.449 242 R N 0.802 121.298 120.500 -0.007 0.000 2.467 242 R HA 0.255 4.595 4.340 -0.000 0.000 0.299 242 R C -1.490 174.786 176.300 -0.040 0.000 1.120 242 R CA -0.680 55.407 56.100 -0.021 0.000 0.940 242 R CB 1.463 31.757 30.300 -0.010 0.000 1.161 242 R HN 0.057 nan 8.270 nan 0.000 0.506 243 L N 2.233 123.424 121.223 -0.053 0.000 2.315 243 L HA 0.267 4.607 4.340 -0.000 0.000 0.283 243 L C -0.596 176.203 176.870 -0.118 0.000 1.089 243 L CA 0.629 55.430 54.840 -0.065 0.000 0.833 243 L CB 1.248 43.276 42.059 -0.052 0.000 1.170 243 L HN 0.440 nan 8.230 nan 0.000 0.442 244 S N 4.321 119.926 115.700 -0.159 0.000 2.718 244 S HA 0.621 5.091 4.470 -0.000 0.000 0.294 244 S C -0.523 173.952 174.600 -0.209 0.000 1.157 244 S CA -0.561 57.439 58.200 -0.334 0.000 1.121 244 S CB 1.075 63.846 63.200 -0.714 0.000 1.015 244 S HN 0.381 nan 8.310 nan 0.000 0.479 245 V N 3.749 123.585 119.914 -0.130 0.000 2.994 245 V HA 0.703 4.823 4.120 -0.000 0.000 0.318 245 V C 0.066 176.164 176.094 0.006 0.000 1.085 245 V CA -1.162 61.123 62.300 -0.026 0.000 0.998 245 V CB 2.027 33.839 31.823 -0.019 0.000 1.063 245 V HN 0.852 nan 8.190 nan 0.000 0.447 246 R N 1.109 121.641 120.500 0.054 0.000 2.795 246 R HA 0.715 5.055 4.340 -0.000 0.000 0.275 246 R C -1.291 175.028 176.300 0.033 0.000 0.981 246 R CA -1.013 55.124 56.100 0.063 0.000 0.917 246 R CB 2.087 32.453 30.300 0.109 0.000 1.202 246 R HN 0.568 nan 8.270 nan 0.000 0.469 247 K N 1.076 121.490 120.400 0.022 0.000 2.130 247 K HA 0.112 4.432 4.320 -0.000 0.000 0.268 247 K C -0.564 176.041 176.600 0.008 0.000 0.983 247 K CA -0.607 55.687 56.287 0.012 0.000 0.893 247 K CB 1.800 34.304 32.500 0.007 0.000 1.066 247 K HN 0.608 nan 8.250 nan 0.000 0.450 248 E N 3.272 123.475 120.200 0.004 0.000 2.346 248 E HA -0.055 4.295 4.350 -0.000 0.000 0.317 248 E C -0.492 176.106 176.600 -0.004 0.000 1.404 248 E CA 0.142 56.541 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 0.662 nan 8.360 nan 0.000 0.499 249 E N 0.863 121.060 120.200 -0.005 0.000 2.524 249 E HA 0.062 4.412 4.350 -0.000 0.000 0.136 249 E C -0.636 175.959 176.600 -0.008 0.000 0.846 249 E CA -0.443 55.953 56.400 -0.006 0.000 1.374 249 E CB 0.021 29.720 29.700 -0.003 0.000 1.087 249 E HN 0.070 nan 8.360 nan 0.000 0.513 260 D N 0.003 120.407 120.400 0.007 0.000 2.149 260 D HA 0.065 4.705 4.640 -0.000 0.000 0.291 260 D C 1.032 177.324 176.300 -0.014 0.000 1.134 260 D CA 0.208 54.207 54.000 -0.001 0.000 1.056 260 D CB 0.250 41.044 40.800 -0.010 0.000 1.151 260 D HN 0.380 nan 8.370 nan 0.000 0.479 261 N N -0.847 117.834 118.700 -0.033 0.000 2.436 261 N HA -0.052 4.688 4.740 -0.000 0.000 0.178 261 N C 2.089 177.532 175.510 -0.111 0.000 1.026 261 N CA 0.176 53.194 53.050 -0.054 0.000 0.880 261 N CB 0.537 38.997 38.487 -0.046 0.000 1.061 261 N HN 0.051 nan 8.380 nan 0.000 0.434 262 V N 1.604 121.446 119.914 -0.120 0.000 2.358 262 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 262 V C 2.459 178.478 176.094 -0.125 0.000 1.047 262 V CA 1.494 63.698 62.300 -0.160 0.000 1.035 262 V CB -0.501 31.249 31.823 -0.122 0.000 0.658 262 V HN 0.293 nan 8.190 nan 0.000 0.452 263 R N -0.322 120.133 120.500 -0.076 0.000 2.119 263 R HA -0.125 4.215 4.340 -0.000 0.000 0.222 263 R C 2.363 178.628 176.300 -0.059 0.000 1.088 263 R CA 1.304 57.373 56.100 -0.051 0.000 0.984 263 R CB -0.120 30.169 30.300 -0.019 0.000 0.884 263 R HN 0.636 nan 8.270 nan 0.000 0.447 264 E N 0.229 120.391 120.200 -0.064 0.000 2.072 264 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 264 E C 1.895 178.420 176.600 -0.125 0.000 0.985 264 E CA 0.990 57.346 56.400 -0.074 0.000 0.801 264 E CB 0.147 29.822 29.700 -0.041 0.000 0.750 264 E HN 0.238 nan 8.360 nan 0.000 0.452 265 R N 0.221 120.641 120.500 -0.134 0.000 2.070 265 R HA -0.100 4.240 4.340 -0.000 0.000 0.233 265 R C 2.512 178.728 176.300 -0.140 0.000 1.137 265 R CA 1.717 57.726 56.100 -0.152 0.000 0.945 265 R CB -0.242 29.892 30.300 -0.278 0.000 0.845 265 R HN 0.259 nan 8.270 nan 0.000 0.430 266 I N 0.354 120.845 120.570 -0.132 0.000 2.179 266 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 266 I C 2.177 178.236 176.117 -0.096 0.000 1.088 266 I CA 1.372 62.613 61.300 -0.098 0.000 1.357 266 I CB -0.326 37.631 38.000 -0.073 0.000 1.051 266 I HN 0.178 nan 8.210 nan 0.000 0.409 267 I N 0.786 121.293 120.570 -0.106 0.000 2.163 267 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 267 I C 2.455 178.440 176.117 -0.220 0.000 1.085 267 I CA 1.612 62.842 61.300 -0.116 0.000 1.347 267 I CB -0.400 37.540 38.000 -0.100 0.000 1.044 267 I HN 0.181 nan 8.210 nan 0.000 0.408 268 K N 0.098 120.312 120.400 -0.311 0.000 2.211 268 K HA -0.182 4.138 4.320 -0.000 0.000 0.203 268 K C 2.194 178.692 176.600 -0.170 0.000 1.050 268 K CA 0.840 56.911 56.287 -0.359 0.000 0.945 268 K CB -0.070 32.233 32.500 -0.329 0.000 0.732 268 K HN 0.099 nan 8.250 nan 0.000 0.451 269 R N 1.251 121.681 120.500 -0.118 0.000 2.080 269 R HA 0.076 4.416 4.340 -0.000 0.000 0.222 269 R C 1.861 178.110 176.300 -0.084 0.000 1.107 269 R CA 1.434 57.490 56.100 -0.073 0.000 0.980 269 R CB -0.592 29.677 30.300 -0.053 0.000 0.879 269 R HN 0.067 nan 8.270 nan 0.000 0.439 270 A N 0.594 123.356 122.820 -0.097 0.000 2.019 270 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 270 A C 2.262 179.738 177.584 -0.182 0.000 1.164 270 A CA 1.444 53.402 52.037 -0.132 0.000 0.644 270 A CB -0.860 18.080 19.000 -0.101 0.000 0.805 270 A HN 0.472 nan 8.150 nan 0.000 0.449 271 A N -0.493 122.293 122.820 -0.055 0.000 2.070 271 A HA 0.059 4.379 4.320 -0.000 0.000 0.220 271 A C 1.870 179.514 177.584 0.100 0.000 1.159 271 A CA 1.105 53.221 52.037 0.131 0.000 0.656 271 A CB -0.460 18.641 19.000 0.169 0.000 0.800 271 A HN 0.474 nan 8.150 nan 0.000 0.453 272 L N -0.457 120.753 121.223 -0.022 0.000 2.599 272 L HA 0.008 4.347 4.340 -0.000 0.000 0.230 272 L C 1.670 178.499 176.870 -0.067 0.000 1.141 272 L CA 0.193 55.027 54.840 -0.010 0.000 0.877 272 L CB -0.086 41.963 42.059 -0.017 0.000 1.009 272 L HN 0.296 nan 8.230 nan 0.000 0.447 273 E N -0.123 119.948 120.200 -0.214 0.000 2.435 273 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 273 E C 0.100 176.555 176.600 -0.241 0.000 1.029 273 E CA 0.209 56.455 56.400 -0.256 0.000 0.865 273 E CB 0.138 29.621 29.700 -0.360 0.000 0.833 273 E HN 0.190 nan 8.360 nan 0.000 0.510 274 F N 1.842 121.791 119.950 -0.003 0.000 2.443 274 F HA 0.160 4.687 4.527 -0.000 0.000 0.353 274 F C 1.007 176.792 175.800 -0.024 0.000 1.101 274 F CA 0.014 58.004 58.000 -0.016 0.000 1.226 274 F CB 0.598 39.587 39.000 -0.018 0.000 1.140 274 F HN -0.253 nan 8.300 nan 0.000 0.557 275 E N 0.377 120.677 120.200 0.167 0.000 2.336 275 E HA 0.204 4.554 4.350 -0.000 0.000 0.267 275 E C -1.537 175.075 176.600 0.019 0.000 0.906 275 E CA -1.193 55.248 56.400 0.070 0.000 0.781 275 E CB 1.808 31.534 29.700 0.043 0.000 1.261 275 E HN 0.412 nan 8.360 nan 0.000 0.436 276 D N 0.572 120.965 120.400 -0.012 0.000 2.425 276 D HA 0.335 4.975 4.640 -0.000 0.000 0.247 276 D C 0.350 176.598 176.300 -0.086 0.000 1.147 276 D CA 1.761 55.724 54.000 -0.061 0.000 0.879 276 D CB 0.434 41.207 40.800 -0.045 0.000 1.179 276 D HN 0.649 nan 8.370 nan 0.000 0.456 280 A N 2.666 125.618 122.820 0.219 0.000 2.454 280 A HA 0.768 5.088 4.320 -0.000 0.000 0.302 280 A C -1.493 176.186 177.584 0.158 0.000 1.079 280 A CA -0.849 51.303 52.037 0.191 0.000 0.731 280 A CB 1.932 21.085 19.000 0.256 0.000 1.299 280 A HN 0.598 nan 8.150 nan 0.000 0.413 281 N N 1.761 120.537 118.700 0.126 0.000 2.442 281 N HA 0.462 5.202 4.740 -0.000 0.000 0.274 281 N C -1.678 173.892 175.510 0.100 0.000 1.002 281 N CA -0.211 52.895 53.050 0.095 0.000 0.910 281 N CB 0.882 39.408 38.487 0.064 0.000 1.244 281 N HN 0.595 nan 8.380 nan 0.000 0.492 282 L N 2.428 123.715 121.223 0.105 0.000 2.287 282 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 282 L C 1.448 178.371 176.870 0.088 0.000 1.022 282 L CA -1.005 53.901 54.840 0.111 0.000 0.814 282 L CB 1.488 43.637 42.059 0.150 0.000 1.217 282 L HN 0.443 nan 8.230 nan 0.000 0.420 283 G N 3.358 112.206 108.800 0.081 0.000 2.667 283 G HA2 0.275 4.235 3.960 -0.000 0.000 0.250 283 G HA3 0.275 4.235 3.960 -0.000 0.000 0.250 283 G C 0.190 175.135 174.900 0.076 0.000 1.212 283 G CA -0.685 44.460 45.100 0.075 0.000 0.874 283 G HN 0.340 nan 8.290 nan 0.000 0.561 284 I N 1.276 121.888 120.570 0.070 0.000 2.692 284 I HA 0.320 4.490 4.170 -0.000 0.000 0.284 284 I C 1.383 177.545 176.117 0.074 0.000 1.159 284 I CA 1.904 63.249 61.300 0.074 0.000 1.423 284 I CB 0.086 38.122 38.000 0.060 0.000 1.380 284 I HN 1.037 nan 8.210 nan 0.000 0.580 285 G N 6.278 115.129 108.800 0.085 0.000 2.709 285 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.228 285 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.228 285 G C 0.895 175.845 174.900 0.083 0.000 1.215 285 G CA 0.034 45.182 45.100 0.079 0.000 1.003 285 G HN 0.433 nan 8.290 nan 0.000 0.584 286 I N 3.366 123.976 120.570 0.066 0.000 2.099 286 I HA -0.123 4.047 4.170 -0.000 0.000 0.239 286 I C 0.604 176.769 176.117 0.079 0.000 1.066 286 I CA 2.440 63.776 61.300 0.061 0.000 1.324 286 I CB -1.149 36.869 38.000 0.030 0.000 1.037 286 I HN 0.443 nan 8.210 nan 0.000 0.401 287 P HA -0.212 nan 4.420 nan 0.000 0.216 287 P C 1.879 179.272 177.300 0.155 0.000 1.153 287 P CA 1.538 64.693 63.100 0.091 0.000 0.858 287 P CB -0.100 31.642 31.700 0.069 0.000 0.789 288 L N -0.581 120.719 121.223 0.128 0.000 2.056 288 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 288 L C 2.581 179.527 176.870 0.128 0.000 1.078 288 L CA 1.492 56.404 54.840 0.120 0.000 0.749 288 L CB -1.530 40.585 42.059 0.093 0.000 0.901 288 L HN -0.184 nan 8.230 nan 0.000 0.433 289 L N -0.587 120.722 121.223 0.144 0.000 2.131 289 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 289 L C 2.631 179.666 176.870 0.276 0.000 1.092 289 L CA 1.003 55.951 54.840 0.179 0.000 0.759 289 L CB -0.889 41.276 42.059 0.177 0.000 0.903 289 L HN 0.369 nan 8.230 nan 0.000 0.435 290 A N 0.246 123.228 122.820 0.270 0.000 1.978 290 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 290 A C 2.506 180.387 177.584 0.494 0.000 1.170 290 A CA 1.941 54.197 52.037 0.366 0.000 0.636 290 A CB -0.675 18.490 19.000 0.274 0.000 0.810 290 A HN 0.540 nan 8.150 nan 0.000 0.448 291 S N 0.310 116.201 115.700 0.319 0.000 2.469 291 S HA -0.159 4.311 4.470 -0.000 0.000 0.238 291 S C 1.518 176.067 174.600 -0.084 0.000 0.998 291 S CA 1.186 59.347 58.200 -0.064 0.000 0.957 291 S CB -0.670 62.440 63.200 -0.149 0.000 0.764 291 S HN 0.608 nan 8.310 nan 0.000 0.514 292 N N 0.809 119.529 118.700 0.032 0.000 2.381 292 N HA 0.047 4.787 4.740 -0.000 0.000 0.182 292 N C 0.335 175.685 175.510 -0.266 0.000 1.025 292 N CA 0.933 53.898 53.050 -0.143 0.000 0.888 292 N CB -0.339 38.031 38.487 -0.195 0.000 0.965 292 N HN 0.533 nan 8.380 nan 0.000 0.438 293 F N 0.868 120.815 119.950 -0.005 0.000 2.693 293 F HA 0.330 4.857 4.527 -0.000 0.000 0.303 293 F C 0.880 176.678 175.800 -0.003 0.000 1.097 293 F CA -0.426 57.582 58.000 0.012 0.000 1.330 293 F CB -0.067 38.965 39.000 0.054 0.000 1.067 293 F HN -0.181 nan 8.300 nan 0.000 0.565 294 I N 0.596 121.189 120.570 0.038 0.000 2.662 294 I HA -0.096 4.074 4.170 -0.000 0.000 0.285 294 I C 1.112 177.200 176.117 -0.048 0.000 1.161 294 I CA -0.040 61.226 61.300 -0.057 0.000 1.415 294 I CB 0.302 38.113 38.000 -0.315 0.000 1.385 294 I HN -0.021 nan 8.210 nan 0.000 0.552 295 S N 9.292 124.990 115.700 -0.004 0.000 2.593 295 S HA 0.033 4.503 4.470 -0.000 0.000 0.300 295 S C -0.618 173.950 174.600 -0.054 0.000 1.267 295 S CA -1.020 57.172 58.200 -0.014 0.000 1.065 295 S CB 0.565 63.766 63.200 0.002 0.000 0.807 295 S HN 0.538 nan 8.310 nan 0.000 0.499 296 P HA -0.056 nan 4.420 nan 0.000 0.225 296 P C 0.051 177.316 177.300 -0.058 0.000 1.148 296 P CA 0.717 63.778 63.100 -0.065 0.000 0.779 296 P CB -0.071 31.596 31.700 -0.055 0.000 0.780 300 V N 3.336 122.976 119.914 -0.458 0.000 2.680 300 V HA 0.768 4.888 4.120 -0.000 0.000 0.309 300 V C -0.779 175.004 176.094 -0.518 0.000 1.052 300 V CA -0.752 61.257 62.300 -0.484 0.000 0.908 300 V CB 1.807 33.432 31.823 -0.331 0.000 1.001 300 V HN 0.915 nan 8.190 nan 0.000 0.431 301 H N 5.055 123.970 119.070 -0.259 0.000 2.519 301 H HA 0.546 5.102 4.556 -0.000 0.000 0.316 301 H C -0.534 174.765 175.328 -0.047 0.000 1.065 301 H CA -0.479 55.461 56.048 -0.179 0.000 1.264 301 H CB 1.700 31.296 29.762 -0.276 0.000 1.413 301 H HN 0.626 nan 8.280 nan 0.000 0.465 302 L N 3.121 124.391 121.223 0.079 0.000 2.275 302 L HA 0.215 4.555 4.340 -0.000 0.000 0.288 302 L C 0.699 177.623 176.870 0.090 0.000 1.046 302 L CA -0.428 54.453 54.840 0.068 0.000 0.805 302 L CB 1.226 43.285 42.059 0.000 0.000 1.193 302 L HN 0.400 nan 8.230 nan 0.000 0.426 303 Q N 2.199 122.064 119.800 0.109 0.000 2.230 303 Q HA 0.331 4.670 4.340 -0.000 0.000 0.253 303 Q C -1.141 174.876 176.000 0.029 0.000 0.919 303 Q CA -0.127 55.733 55.803 0.095 0.000 0.908 303 Q CB 2.111 30.915 28.738 0.110 0.000 1.245 303 Q HN 0.570 nan 8.270 nan 0.000 0.437 304 S N 2.428 118.116 115.700 -0.020 0.000 2.552 304 S HA 0.193 4.663 4.470 -0.000 0.000 0.314 304 S C 0.203 174.703 174.600 -0.167 0.000 1.099 304 S CA -0.480 57.669 58.200 -0.086 0.000 1.070 304 S CB 0.911 64.045 63.200 -0.109 0.000 0.998 304 S HN 0.595 nan 8.310 nan 0.000 0.474 305 E N 2.599 122.692 120.200 -0.178 0.000 2.147 305 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 305 E C 1.501 177.902 176.600 -0.332 0.000 1.005 305 E CA 1.629 57.859 56.400 -0.285 0.000 0.810 305 E CB -0.128 29.535 29.700 -0.061 0.000 0.736 305 E HN 0.749 nan 8.360 nan 0.000 0.460 306 N N 0.241 118.622 118.700 -0.531 0.000 2.567 306 N HA -0.022 4.718 4.740 -0.000 0.000 0.195 306 N C 0.513 175.726 175.510 -0.496 0.000 1.242 306 N CA 0.978 53.544 53.050 -0.807 0.000 0.884 306 N CB 0.312 37.827 38.487 -1.619 0.000 1.007 306 N HN 0.200 nan 8.380 nan 0.000 0.450 307 G N 0.222 108.761 108.800 -0.436 0.000 2.392 307 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 307 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 307 G C -0.613 173.646 174.900 -1.069 0.000 1.097 307 G CA -0.245 44.440 45.100 -0.692 0.000 0.840 307 G HN 0.383 nan 8.290 nan 0.000 0.492 308 I N -0.682 119.396 120.570 -0.821 0.000 2.802 308 I HA 0.669 4.839 4.170 -0.000 0.000 0.298 308 I C -0.888 175.096 176.117 -0.223 0.000 1.176 308 I CA -1.357 59.599 61.300 -0.573 0.000 1.025 308 I CB 2.235 40.103 38.000 -0.221 0.000 1.243 308 I HN 0.087 nan 8.210 nan 0.000 0.424 309 L N 4.375 125.525 121.223 -0.121 0.000 2.406 309 L HA 0.804 5.144 4.340 -0.000 0.000 0.270 309 L C 0.116 176.968 176.870 -0.031 0.000 0.982 309 L CA 0.172 55.060 54.840 0.080 0.000 0.843 309 L CB 1.409 43.617 42.059 0.247 0.000 1.225 309 L HN 0.839 nan 8.230 nan 0.000 0.412 310 G N 4.557 113.362 108.800 0.007 0.000 2.327 310 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.159 310 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.159 310 G C -0.201 174.673 174.900 -0.044 0.000 1.056 310 G CA -0.203 44.896 45.100 -0.003 0.000 0.751 310 G HN 0.620 nan 8.290 nan 0.000 0.488 311 L N 0.093 121.291 121.223 -0.041 0.000 2.499 311 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 311 L C 1.511 178.338 176.870 -0.072 0.000 1.234 311 L CA 0.916 55.722 54.840 -0.056 0.000 0.839 311 L CB 0.527 42.556 42.059 -0.051 0.000 1.104 311 L HN 0.390 nan 8.230 nan 0.000 0.500 312 G N 1.781 110.535 108.800 -0.077 0.000 3.107 312 G HA2 0.643 4.603 3.960 -0.000 0.000 0.232 312 G HA3 0.643 4.603 3.960 -0.000 0.000 0.232 312 G C -2.691 172.124 174.900 -0.142 0.000 1.339 312 G CA -0.676 44.368 45.100 -0.094 0.000 1.033 312 G HN 0.439 nan 8.290 nan 0.000 0.567 313 P HA 0.265 nan 4.420 nan 0.000 0.279 313 P C -1.008 176.202 177.300 -0.150 0.000 1.282 313 P CA -0.478 62.495 63.100 -0.212 0.000 0.788 313 P CB 0.617 32.238 31.700 -0.131 0.000 1.139 314 Y N 0.123 120.413 120.300 -0.016 0.000 2.578 314 Y HA 0.111 4.661 4.550 -0.000 0.000 0.339 314 Y C -1.264 174.630 175.900 -0.010 0.000 1.231 314 Y CA -1.737 56.358 58.100 -0.008 0.000 1.461 314 Y CB -1.164 37.292 38.460 -0.006 0.000 1.323 314 Y HN 0.296 nan 8.280 nan 0.000 0.590 315 P HA 0.110 nan 4.420 nan 0.000 0.274 315 P C -0.475 176.863 177.300 0.064 0.000 1.231 315 P CA -0.116 63.034 63.100 0.084 0.000 0.790 315 P CB 1.093 32.831 31.700 0.064 0.000 0.951 316 L N 1.358 122.604 121.223 0.038 0.000 2.475 316 L HA 0.080 4.420 4.340 -0.000 0.000 0.253 316 L C 2.404 179.285 176.870 0.018 0.000 1.198 316 L CA -0.273 54.583 54.840 0.026 0.000 0.814 316 L CB 0.010 42.079 42.059 0.016 0.000 1.134 316 L HN 0.376 nan 8.230 nan 0.000 0.478 317 Q N 1.731 121.537 119.800 0.011 0.000 2.082 317 Q HA -0.260 4.080 4.340 -0.000 0.000 0.211 317 Q C 1.352 177.355 176.000 0.005 0.000 1.002 317 Q CA 2.443 58.249 55.803 0.005 0.000 0.868 317 Q CB -0.243 28.497 28.738 0.002 0.000 0.931 317 Q HN 0.721 nan 8.270 nan 0.000 0.414 318 N N -0.591 118.113 118.700 0.006 0.000 2.421 318 N HA -0.056 4.684 4.740 -0.000 0.000 0.201 318 N C 0.197 175.711 175.510 0.007 0.000 1.198 318 N CA 0.483 53.536 53.050 0.006 0.000 0.838 318 N CB 0.245 38.736 38.487 0.006 0.000 1.011 318 N HN 0.452 nan 8.380 nan 0.000 0.463 319 E N -0.133 120.073 120.200 0.010 0.000 2.514 319 E HA 0.082 4.432 4.350 -0.000 0.000 0.215 319 E C -0.074 176.533 176.600 0.011 0.000 0.946 319 E CA -0.258 56.149 56.400 0.011 0.000 1.038 319 E CB 1.202 30.912 29.700 0.018 0.000 1.069 319 E HN 0.089 nan 8.360 nan 0.000 0.503 320 V N 2.271 122.190 119.914 0.009 0.000 2.557 320 V HA 0.002 4.122 4.120 -0.000 0.000 0.301 320 V C -0.744 175.347 176.094 -0.005 0.000 1.026 320 V CA 0.715 63.019 62.300 0.007 0.000 1.137 320 V CB 0.850 32.673 31.823 0.001 0.000 0.917 320 V HN 0.090 nan 8.190 nan 0.000 0.484 321 D N 4.685 125.080 120.400 -0.009 0.000 2.763 321 D HA 0.486 5.126 4.640 -0.000 0.000 0.235 321 D C 0.467 176.748 176.300 -0.031 0.000 1.334 321 D CA 0.109 54.091 54.000 -0.031 0.000 0.950 321 D CB 2.032 42.803 40.800 -0.049 0.000 1.433 321 D HN 0.619 nan 8.370 nan 0.000 0.580 322 A N 3.319 126.120 122.820 -0.032 0.000 2.131 322 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 322 A C 1.266 178.833 177.584 -0.028 0.000 1.158 322 A CA 1.179 53.205 52.037 -0.018 0.000 0.665 322 A CB -0.025 18.970 19.000 -0.009 0.000 0.795 322 A HN 0.551 nan 8.150 nan 0.000 0.460 323 D N -1.090 119.262 120.400 -0.079 0.000 2.340 323 D HA 0.127 4.767 4.640 -0.000 0.000 0.220 323 D C 0.098 176.317 176.300 -0.136 0.000 1.039 323 D CA 0.376 54.301 54.000 -0.126 0.000 0.866 323 D CB 0.240 40.904 40.800 -0.227 0.000 0.913 323 D HN 0.345 nan 8.370 nan 0.000 0.523 324 L N 2.038 123.217 121.223 -0.073 0.000 2.388 324 L HA 0.398 4.738 4.340 -0.000 0.000 0.267 324 L C -0.846 176.040 176.870 0.026 0.000 0.995 324 L CA -0.475 54.345 54.840 -0.033 0.000 0.864 324 L CB 0.790 42.847 42.059 -0.004 0.000 1.216 324 L HN -0.149 nan 8.230 nan 0.000 0.430 325 I N 0.689 121.286 120.570 0.044 0.000 2.969 325 I HA 0.579 4.749 4.170 -0.000 0.000 0.307 325 I C -0.822 175.349 176.117 0.090 0.000 1.149 325 I CA -0.990 60.365 61.300 0.092 0.000 1.008 325 I CB 2.192 40.272 38.000 0.133 0.000 1.232 325 I HN 0.434 nan 8.210 nan 0.000 0.435 326 N N 2.847 121.618 118.700 0.119 0.000 2.418 326 N HA 0.451 5.191 4.740 -0.000 0.000 0.283 326 N C 0.885 176.493 175.510 0.164 0.000 1.267 326 N CA -0.082 53.024 53.050 0.093 0.000 0.975 326 N CB 0.536 39.083 38.487 0.099 0.000 1.167 326 N HN 0.807 nan 8.380 nan 0.000 0.581 327 A N -1.102 121.795 122.820 0.129 0.000 2.019 327 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 327 A C 1.821 179.576 177.584 0.285 0.000 1.164 327 A CA 1.535 53.724 52.037 0.254 0.000 0.644 327 A CB -1.549 17.541 19.000 0.149 0.000 0.805 327 A HN 0.806 nan 8.150 nan 0.000 0.449 328 G N -1.419 107.482 108.800 0.168 0.000 3.124 328 G HA2 0.243 4.203 3.960 -0.000 0.000 0.212 328 G HA3 0.243 4.203 3.960 -0.000 0.000 0.212 328 G C 0.618 175.580 174.900 0.104 0.000 1.181 328 G CA 0.380 45.542 45.100 0.102 0.000 0.803 328 G HN 0.521 nan 8.290 nan 0.000 0.529 329 K N -0.645 119.858 120.400 0.173 0.000 3.160 329 K HA -0.179 4.141 4.320 -0.000 0.000 0.280 329 K C -0.020 176.640 176.600 0.101 0.000 1.154 329 K CA 0.925 57.296 56.287 0.140 0.000 0.822 329 K CB -1.188 31.340 32.500 0.048 0.000 1.239 329 K HN 0.560 nan 8.250 nan 0.000 0.489 330 E N 0.797 121.068 120.200 0.118 0.000 2.242 330 E HA 0.178 4.528 4.350 -0.000 0.000 0.275 330 E C 0.204 176.871 176.600 0.113 0.000 1.002 330 E CA -0.457 55.996 56.400 0.089 0.000 0.841 330 E CB 1.045 30.820 29.700 0.125 0.000 1.109 330 E HN 0.232 nan 8.360 nan 0.000 0.394 331 T N -0.736 113.859 114.554 0.069 0.000 2.888 331 T HA 0.312 4.662 4.350 -0.000 0.000 0.301 331 T C 0.402 175.200 174.700 0.162 0.000 1.001 331 T CA -0.783 61.366 62.100 0.081 0.000 1.147 331 T CB 0.304 69.195 68.868 0.038 0.000 0.931 331 T HN 0.292 nan 8.240 nan 0.000 0.541 332 V N -0.094 119.900 119.914 0.133 0.000 3.139 332 V HA 0.929 5.049 4.120 -0.000 0.000 0.310 332 V C -0.068 176.074 176.094 0.079 0.000 1.260 332 V CA -0.964 61.419 62.300 0.138 0.000 1.064 332 V CB 1.540 33.419 31.823 0.093 0.000 1.160 332 V HN 0.987 nan 8.190 nan 0.000 0.470 333 T N -0.702 113.877 114.554 0.042 0.000 2.864 333 T HA 0.754 5.104 4.350 -0.000 0.000 0.289 333 T C -1.454 173.247 174.700 0.002 0.000 1.082 333 T CA -0.340 61.773 62.100 0.022 0.000 1.009 333 T CB 1.969 70.841 68.868 0.006 0.000 1.234 333 T HN 0.834 nan 8.240 nan 0.000 0.526 334 V N 2.256 122.168 119.914 -0.004 0.000 2.709 334 V HA 0.575 4.695 4.120 -0.000 0.000 0.308 334 V C -0.701 175.368 176.094 -0.042 0.000 1.062 334 V CA -0.762 61.517 62.300 -0.036 0.000 0.901 334 V CB 1.831 33.626 31.823 -0.048 0.000 1.003 334 V HN 0.696 nan 8.190 nan 0.000 0.425 335 L N 5.575 126.767 121.223 -0.052 0.000 2.454 335 L HA 0.486 4.826 4.340 -0.000 0.000 0.256 335 L C -2.115 174.731 176.870 -0.040 0.000 1.136 335 L CA -1.768 53.048 54.840 -0.039 0.000 0.804 335 L CB 0.582 42.622 42.059 -0.030 0.000 1.181 335 L HN 0.441 nan 8.230 nan 0.000 0.469 336 P HA 0.067 nan 4.420 nan 0.000 0.267 336 P C 0.449 177.730 177.300 -0.032 0.000 1.200 336 P CA 0.523 63.608 63.100 -0.024 0.000 0.772 336 P CB 0.552 32.245 31.700 -0.012 0.000 0.855 337 G N 0.779 109.555 108.800 -0.041 0.000 2.160 337 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.251 337 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.251 337 G C 0.451 175.296 174.900 -0.092 0.000 1.008 337 G CA 0.022 45.089 45.100 -0.054 0.000 0.724 337 G HN 0.822 nan 8.290 nan 0.000 0.514 338 A N -0.574 122.173 122.820 -0.121 0.000 2.259 338 A HA 0.948 5.268 4.320 -0.000 0.000 0.278 338 A C 0.767 178.200 177.584 -0.251 0.000 1.107 338 A CA 0.776 52.698 52.037 -0.193 0.000 0.828 338 A CB 0.930 19.776 19.000 -0.257 0.000 1.111 338 A HN 2.091 nan 8.150 nan 0.000 0.498 339 S N -1.586 113.917 115.700 -0.328 0.000 2.579 339 S HA 0.719 5.189 4.470 -0.000 0.000 0.272 339 S C -1.546 172.754 174.600 -0.499 0.000 1.141 339 S CA -0.628 57.403 58.200 -0.282 0.000 0.843 339 S CB 0.823 64.025 63.200 0.002 0.000 1.122 339 S HN 0.548 nan 8.310 nan 0.000 0.468 340 Y N 0.952 121.176 120.300 -0.125 0.000 2.485 340 Y HA 0.820 5.370 4.550 -0.000 0.000 0.345 340 Y C -0.332 175.402 175.900 -0.278 0.000 0.998 340 Y CA -1.195 56.667 58.100 -0.397 0.000 1.059 340 Y CB 1.656 39.957 38.460 -0.265 0.000 1.234 340 Y HN 0.870 nan 8.280 nan 0.000 0.461 341 F N -1.785 118.157 119.950 -0.014 0.000 2.713 341 F HA 0.692 5.219 4.527 -0.000 0.000 0.311 341 F C -0.303 175.393 175.800 -0.174 0.000 1.141 341 F CA -1.716 56.213 58.000 -0.119 0.000 0.939 341 F CB 0.506 39.422 39.000 -0.140 0.000 1.325 341 F HN 0.359 nan 8.300 nan 0.000 0.453 342 S N 0.036 115.736 115.700 0.001 0.000 2.596 342 S HA 0.207 4.677 4.470 -0.000 0.000 0.260 342 S C 0.716 175.240 174.600 -0.128 0.000 1.336 342 S CA 0.069 58.178 58.200 -0.151 0.000 0.993 342 S CB 1.065 64.153 63.200 -0.186 0.000 0.923 342 S HN 0.704 nan 8.310 nan 0.000 0.567 343 S N 1.349 116.870 115.700 -0.299 0.000 2.402 343 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 343 S C 1.719 176.230 174.600 -0.149 0.000 1.021 343 S CA 1.198 59.199 58.200 -0.331 0.000 0.974 343 S CB -0.639 61.954 63.200 -1.011 0.000 0.800 343 S HN 0.921 nan 8.310 nan 0.000 0.484 344 D N 1.177 121.450 120.400 -0.212 0.000 2.144 344 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 344 D C 1.647 177.910 176.300 -0.060 0.000 0.978 344 D CA 0.776 54.709 54.000 -0.112 0.000 0.833 344 D CB -0.351 40.358 40.800 -0.153 0.000 0.961 344 D HN 0.186 nan 8.370 nan 0.000 0.470 345 E N 0.777 120.929 120.200 -0.080 0.000 2.072 345 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 345 E C 2.111 178.616 176.600 -0.158 0.000 0.985 345 E CA 0.601 56.928 56.400 -0.122 0.000 0.801 345 E CB -0.325 29.308 29.700 -0.111 0.000 0.750 345 E HN 0.264 nan 8.360 nan 0.000 0.452 346 S N -0.486 115.202 115.700 -0.019 0.000 2.370 346 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 346 S C 1.686 176.093 174.600 -0.323 0.000 1.033 346 S CA 1.031 59.184 58.200 -0.079 0.000 1.011 346 S CB -0.240 62.927 63.200 -0.054 0.000 0.852 346 S HN 0.182 nan 8.310 nan 0.000 0.457 347 F N 1.635 121.555 119.950 -0.051 0.000 2.743 347 F HA 0.461 4.988 4.527 -0.000 0.000 0.297 347 F C 1.380 177.160 175.800 -0.033 0.000 1.131 347 F CA 0.072 58.055 58.000 -0.027 0.000 1.426 347 F CB -0.433 38.557 39.000 -0.018 0.000 1.116 347 F HN 0.205 nan 8.300 nan 0.000 0.583 351 R N 1.675 122.251 120.500 0.127 0.000 2.120 351 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 351 R C 1.812 178.170 176.300 0.097 0.000 1.123 351 R CA 1.817 58.003 56.100 0.143 0.000 0.975 351 R CB -0.223 30.181 30.300 0.174 0.000 0.866 351 R HN 0.475 nan 8.270 nan 0.000 0.446 352 G N -1.084 107.774 108.800 0.097 0.000 2.848 352 G HA2 0.048 4.008 3.960 -0.000 0.000 0.208 352 G HA3 0.048 4.008 3.960 -0.000 0.000 0.208 352 G C 0.757 175.525 174.900 -0.219 0.000 1.152 352 G CA 0.405 45.513 45.100 0.014 0.000 0.789 352 G HN 0.512 nan 8.290 nan 0.000 0.531 353 G N -0.009 108.732 108.800 -0.097 0.000 2.198 353 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.260 353 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.260 353 G C 0.826 175.601 174.900 -0.209 0.000 1.025 353 G CA 0.515 45.541 45.100 -0.123 0.000 0.769 353 G HN 0.603 nan 8.290 nan 0.000 0.507 354 H N -1.276 117.756 119.070 -0.063 0.000 2.529 354 H HA 0.137 4.693 4.556 -0.000 0.000 0.277 354 H C 1.496 176.766 175.328 -0.098 0.000 0.999 354 H CA 1.028 57.009 56.048 -0.112 0.000 1.256 354 H CB 0.426 30.076 29.762 -0.187 0.000 1.402 354 H HN 0.341 nan 8.280 nan 0.000 0.566 355 V N 2.234 122.178 119.914 0.049 0.000 2.583 355 V HA -0.018 4.102 4.120 -0.000 0.000 0.287 355 V C 0.850 177.002 176.094 0.096 0.000 1.051 355 V CA 0.026 62.378 62.300 0.086 0.000 1.010 355 V CB 1.422 33.290 31.823 0.074 0.000 0.988 355 V HN 0.390 nan 8.190 nan 0.000 0.478 356 N N 2.898 121.692 118.700 0.157 0.000 2.207 356 N HA 0.052 4.792 4.740 -0.000 0.000 0.182 356 N C -0.005 175.557 175.510 0.086 0.000 1.020 356 N CA 0.471 53.594 53.050 0.123 0.000 0.858 356 N CB 0.175 38.758 38.487 0.161 0.000 0.991 356 N HN 0.452 nan 8.380 nan 0.000 0.427 357 L N 0.343 121.625 121.223 0.097 0.000 2.410 357 L HA 0.456 4.796 4.340 -0.000 0.000 0.270 357 L C -0.823 176.087 176.870 0.067 0.000 0.983 357 L CA -0.221 54.656 54.840 0.062 0.000 0.822 357 L CB 2.177 44.260 42.059 0.038 0.000 1.285 357 L HN -0.177 nan 8.230 nan 0.000 0.409 361 G N -0.319 108.510 108.800 0.049 0.000 2.588 361 G HA2 0.843 4.803 3.960 -0.000 0.000 0.281 361 G HA3 0.843 4.803 3.960 -0.000 0.000 0.281 361 G C -0.480 174.448 174.900 0.047 0.000 1.236 361 G CA 0.053 45.178 45.100 0.042 0.000 0.969 361 G HN 1.461 nan 8.290 nan 0.000 0.504 365 V N 1.104 120.983 119.914 -0.057 0.000 2.638 365 V HA 0.542 4.661 4.120 -0.000 0.000 0.306 365 V C -0.141 175.899 176.094 -0.090 0.000 1.052 365 V CA -0.622 61.640 62.300 -0.063 0.000 0.885 365 V CB 1.836 33.609 31.823 -0.084 0.000 0.999 365 V HN 0.806 nan 8.190 nan 0.000 0.424 366 S N 3.274 118.937 115.700 -0.061 0.000 2.614 366 S HA 0.234 4.704 4.470 -0.000 0.000 0.265 366 S C 1.266 175.783 174.600 -0.139 0.000 1.303 366 S CA 0.003 58.162 58.200 -0.069 0.000 1.000 366 S CB 1.029 64.230 63.200 0.002 0.000 0.935 366 S HN 0.842 nan 8.310 nan 0.000 0.551 367 K N 1.218 121.493 120.400 -0.209 0.000 2.160 367 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 367 K C 0.450 176.735 176.600 -0.525 0.000 1.047 367 K CA 1.754 57.788 56.287 -0.421 0.000 0.930 367 K CB -0.269 31.896 32.500 -0.558 0.000 0.720 367 K HN 0.814 nan 8.250 nan 0.000 0.450 368 Y N -0.984 119.291 120.300 -0.042 0.000 2.524 368 Y HA 0.270 4.819 4.550 -0.000 0.000 0.266 368 Y C 1.120 177.009 175.900 -0.019 0.000 1.180 368 Y CA 0.193 58.279 58.100 -0.024 0.000 1.244 368 Y CB 1.330 39.781 38.460 -0.016 0.000 1.125 368 Y HN 0.311 nan 8.280 nan 0.000 0.524 369 G N -0.600 108.228 108.800 0.048 0.000 2.184 369 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.206 369 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.206 369 G C -0.409 174.515 174.900 0.040 0.000 0.995 369 G CA -0.423 44.700 45.100 0.037 0.000 0.651 369 G HN 0.198 nan 8.290 nan 0.000 0.511 370 D N 0.163 120.590 120.400 0.045 0.000 2.443 370 D HA 0.486 5.126 4.640 -0.000 0.000 0.239 370 D C 0.319 176.639 176.300 0.033 0.000 1.136 370 D CA 0.211 54.236 54.000 0.042 0.000 0.879 370 D CB 1.756 42.580 40.800 0.040 0.000 1.195 370 D HN 0.322 nan 8.370 nan 0.000 0.443 371 L N 1.016 122.270 121.223 0.052 0.000 2.354 371 L HA 0.701 5.040 4.340 -0.000 0.000 0.269 371 L C -1.310 175.620 176.870 0.100 0.000 1.005 371 L CA -0.792 54.086 54.840 0.063 0.000 0.819 371 L CB 1.865 43.966 42.059 0.070 0.000 1.311 371 L HN 0.399 nan 8.230 nan 0.000 0.423 372 A N 3.440 126.318 122.820 0.096 0.000 2.446 372 A HA 0.652 4.972 4.320 -0.000 0.000 0.282 372 A C -0.686 176.968 177.584 0.117 0.000 1.102 372 A CA -0.258 51.852 52.037 0.121 0.000 0.737 372 A CB 0.424 19.454 19.000 0.050 0.000 1.212 372 A HN 0.809 nan 8.150 nan 0.000 0.434 373 N N 1.589 120.413 118.700 0.207 0.000 2.228 373 N HA 0.044 4.784 4.740 -0.000 0.000 0.237 373 N C -0.388 175.284 175.510 0.270 0.000 1.382 373 N CA -0.152 53.004 53.050 0.176 0.000 0.787 373 N CB -0.131 38.448 38.487 0.153 0.000 1.320 373 N HN 0.801 nan 8.380 nan 0.000 0.507 377 P HA 0.045 nan 4.420 nan 0.000 0.256 377 P C 1.013 178.262 177.300 -0.085 0.000 1.173 377 P CA 1.296 64.341 63.100 -0.092 0.000 0.768 377 P CB 0.367 32.023 31.700 -0.073 0.000 0.758 378 G N 3.087 111.827 108.800 -0.101 0.000 2.162 378 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 378 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 378 G C 0.783 175.608 174.900 -0.125 0.000 0.976 378 G CA 0.635 45.647 45.100 -0.146 0.000 0.655 378 G HN 0.552 nan 8.290 nan 0.000 0.533 379 K N -1.917 118.426 120.400 -0.095 0.000 2.603 379 K HA 0.418 4.738 4.320 -0.000 0.000 0.205 379 K C -0.082 176.491 176.600 -0.045 0.000 1.500 379 K CA 0.131 56.377 56.287 -0.069 0.000 1.059 379 K CB 0.921 33.387 32.500 -0.056 0.000 1.416 379 K HN 0.330 nan 8.250 nan 0.000 0.562 380 L N 1.581 122.778 121.223 -0.045 0.000 2.529 380 L HA 0.346 4.686 4.340 -0.000 0.000 0.258 380 L C -1.680 175.190 176.870 -0.000 0.000 1.032 380 L CA -0.423 54.412 54.840 -0.009 0.000 0.899 380 L CB 1.947 44.001 42.059 -0.007 0.000 1.174 380 L HN -0.197 nan 8.230 nan 0.000 0.458 381 V N 5.145 125.097 119.914 0.063 0.000 2.384 381 V HA 0.384 4.504 4.120 -0.000 0.000 0.257 381 V C 0.542 176.795 176.094 0.265 0.000 0.969 381 V CA -0.427 61.965 62.300 0.154 0.000 0.910 381 V CB 0.461 32.389 31.823 0.175 0.000 1.150 381 V HN 0.615 nan 8.190 nan 0.000 0.481 382 K N 1.760 122.277 120.400 0.195 0.000 2.374 382 K HA 0.509 4.829 4.320 -0.000 0.000 0.202 382 K C 0.935 177.569 176.600 0.057 0.000 1.040 382 K CA 0.507 56.824 56.287 0.049 0.000 1.085 382 K CB 1.740 34.201 32.500 -0.065 0.000 0.873 382 K HN 0.821 nan 8.250 nan 0.000 0.539 386 G N 0.659 109.571 108.800 0.187 0.000 3.233 386 G HA2 0.593 4.553 3.960 -0.000 0.000 0.234 386 G HA3 0.593 4.553 3.960 -0.000 0.000 0.234 386 G C 0.913 175.940 174.900 0.212 0.000 1.137 386 G CA 1.599 46.855 45.100 0.259 0.000 0.763 386 G HN 1.267 nan 8.290 nan 0.000 0.549 390 L N 2.224 123.567 121.223 0.200 0.000 2.187 390 L HA -0.104 4.236 4.340 -0.000 0.000 0.213 390 L C 2.147 179.077 176.870 0.100 0.000 1.100 390 L CA 1.428 56.352 54.840 0.140 0.000 0.765 390 L CB -0.101 42.036 42.059 0.130 0.000 0.904 390 L HN 0.099 nan 8.230 nan 0.000 0.437 391 V N -5.030 114.940 119.914 0.093 0.000 3.214 391 V HA 0.179 4.299 4.120 -0.000 0.000 0.330 391 V C 1.699 177.836 176.094 0.072 0.000 1.403 391 V CA 0.454 62.799 62.300 0.074 0.000 1.143 391 V CB 0.229 32.093 31.823 0.067 0.000 1.098 391 V HN 0.338 nan 8.190 nan 0.000 0.463 392 S N -0.744 115.008 115.700 0.086 0.000 2.501 392 S HA 0.167 4.637 4.470 -0.000 0.000 0.220 392 S C 1.098 175.743 174.600 0.076 0.000 0.997 392 S CA 0.655 58.906 58.200 0.086 0.000 0.919 392 S CB -0.035 63.235 63.200 0.116 0.000 0.778 392 S HN 0.572 nan 8.310 nan 0.000 0.523 393 S N 0.829 116.572 115.700 0.071 0.000 2.420 393 S HA 0.686 5.156 4.470 -0.000 0.000 0.313 393 S C 1.062 175.683 174.600 0.035 0.000 1.079 393 S CA -0.233 58.000 58.200 0.055 0.000 1.104 393 S CB 0.879 64.106 63.200 0.044 0.000 0.969 393 S HN 0.525 nan 8.310 nan 0.000 0.471 394 A N 5.399 128.235 122.820 0.028 0.000 2.084 394 A HA -0.107 4.212 4.320 -0.000 0.000 0.221 394 A C 1.992 179.585 177.584 0.016 0.000 1.161 394 A CA 1.445 53.494 52.037 0.021 0.000 0.653 394 A CB -0.277 18.732 19.000 0.016 0.000 0.802 394 A HN 0.861 nan 8.150 nan 0.000 0.457 395 K N -0.775 119.629 120.400 0.007 0.000 2.116 395 K HA -0.005 4.315 4.320 -0.000 0.000 0.203 395 K C 0.189 176.791 176.600 0.003 0.000 1.052 395 K CA 0.896 57.180 56.287 -0.005 0.000 0.952 395 K CB -0.139 32.339 32.500 -0.037 0.000 0.729 395 K HN 0.343 nan 8.250 nan 0.000 0.446 396 T N 2.252 116.812 114.554 0.010 0.000 2.884 396 T HA 0.050 4.400 4.350 -0.000 0.000 0.298 396 T C -0.152 174.565 174.700 0.028 0.000 0.998 396 T CA -0.181 61.934 62.100 0.023 0.000 1.124 396 T CB 1.132 70.020 68.868 0.032 0.000 0.931 396 T HN 0.055 nan 8.240 nan 0.000 0.531 397 K N 2.943 123.360 120.400 0.029 0.000 2.339 397 K HA 0.369 4.689 4.320 -0.000 0.000 0.286 397 K C -0.514 176.099 176.600 0.022 0.000 1.050 397 K CA -0.546 55.755 56.287 0.023 0.000 0.956 397 K CB 0.423 32.933 32.500 0.016 0.000 0.990 397 K HN 0.419 nan 8.250 nan 0.000 0.475 398 V N 5.495 125.422 119.914 0.022 0.000 2.409 398 V HA 0.546 4.665 4.120 -0.000 0.000 0.291 398 V C -1.194 174.908 176.094 0.012 0.000 1.020 398 V CA -0.611 61.703 62.300 0.022 0.000 0.848 398 V CB 1.459 33.303 31.823 0.035 0.000 0.990 398 V HN 0.585 nan 8.190 nan 0.000 0.430 399 V N 7.678 127.592 119.914 -0.000 0.000 2.540 399 V HA 0.857 4.977 4.120 -0.000 0.000 0.302 399 V C -0.395 175.696 176.094 -0.005 0.000 1.035 399 V CA 0.039 62.334 62.300 -0.009 0.000 0.873 399 V CB 1.946 33.747 31.823 -0.035 0.000 0.992 399 V HN 1.602 nan 8.190 nan 0.000 0.428 400 V N 3.909 123.824 119.914 0.002 0.000 2.539 400 V HA 0.945 5.065 4.120 -0.000 0.000 0.292 400 V C 0.241 176.334 176.094 -0.003 0.000 1.045 400 V CA 0.529 62.832 62.300 0.005 0.000 0.945 400 V CB 1.077 32.904 31.823 0.008 0.000 0.993 400 V HN 1.247 nan 8.190 nan 0.000 0.464 404 H N 1.157 120.221 119.070 -0.011 0.000 2.319 404 H HA -0.037 4.519 4.556 -0.000 0.000 0.297 404 H C 0.267 175.615 175.328 0.033 0.000 1.097 404 H CA 2.435 58.496 56.048 0.022 0.000 1.285 404 H CB 0.466 30.244 29.762 0.027 0.000 1.368 404 H HN 0.219 nan 8.280 nan 0.000 0.495 405 S N -1.753 114.029 115.700 0.137 0.000 2.667 405 S HA 0.722 5.192 4.470 -0.000 0.000 0.292 405 S C -0.866 173.755 174.600 0.033 0.000 1.126 405 S CA -0.523 57.727 58.200 0.083 0.000 0.881 405 S CB 2.045 65.318 63.200 0.122 0.000 1.132 405 S HN 0.536 nan 8.310 nan 0.000 0.492 406 A N 0.974 123.802 122.820 0.013 0.000 2.252 406 A HA 0.573 4.893 4.320 -0.000 0.000 0.305 406 A C -0.042 177.537 177.584 -0.007 0.000 1.097 406 A CA -0.523 51.514 52.037 -0.001 0.000 0.849 406 A CB 0.135 19.131 19.000 -0.007 0.000 1.142 406 A HN 0.705 nan 8.150 nan 0.000 0.499 407 K N -0.228 120.166 120.400 -0.009 0.000 2.561 407 K HA 0.202 4.522 4.320 -0.000 0.000 0.280 407 K C 1.062 177.650 176.600 -0.020 0.000 0.975 407 K CA 1.509 57.789 56.287 -0.012 0.000 1.024 407 K CB -0.036 32.457 32.500 -0.011 0.000 0.883 407 K HN 1.574 nan 8.250 nan 0.000 0.496 408 G N 2.835 111.623 108.800 -0.020 0.000 2.198 408 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 408 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 408 G C 0.196 175.069 174.900 -0.044 0.000 1.042 408 G CA 0.517 45.600 45.100 -0.028 0.000 0.791 408 G HN 0.925 nan 8.290 nan 0.000 0.502 409 N N -1.998 116.680 118.700 -0.037 0.000 2.716 409 N HA -0.059 4.681 4.740 -0.000 0.000 0.250 409 N C 0.637 176.070 175.510 -0.129 0.000 1.033 409 N CA 1.969 54.987 53.050 -0.052 0.000 0.727 409 N CB -1.084 37.373 38.487 -0.049 0.000 0.950 409 N HN 1.926 nan 8.380 nan 0.000 0.541 410 A N 0.929 123.693 122.820 -0.094 0.000 2.401 410 A HA 0.339 4.658 4.320 -0.000 0.000 0.259 410 A C 0.093 177.631 177.584 -0.076 0.000 1.103 410 A CA -0.306 51.660 52.037 -0.118 0.000 0.789 410 A CB 0.234 19.203 19.000 -0.052 0.000 1.035 410 A HN 0.474 nan 8.150 nan 0.000 0.491 411 H N 1.606 120.683 119.070 0.011 0.000 2.928 411 H HA 0.089 4.645 4.556 -0.000 0.000 0.338 411 H C 0.641 175.949 175.328 -0.034 0.000 1.047 411 H CA 0.616 56.663 56.048 -0.002 0.000 1.435 411 H CB 1.011 30.771 29.762 -0.004 0.000 1.428 411 H HN 0.758 nan 8.280 nan 0.000 0.590 412 K N 2.301 122.743 120.400 0.070 0.000 2.387 412 K HA 0.243 4.563 4.320 -0.000 0.000 0.197 412 K C 0.744 177.297 176.600 -0.078 0.000 1.127 412 K CA 0.225 56.499 56.287 -0.021 0.000 0.950 412 K CB 0.919 33.384 32.500 -0.058 0.000 1.017 412 K HN 0.384 nan 8.250 nan 0.000 0.519 416 K N 0.944 121.337 120.400 -0.011 0.000 2.464 416 K HA 0.502 4.821 4.320 -0.000 0.000 0.253 416 K C -0.288 176.309 176.600 -0.006 0.000 0.933 416 K CA -0.525 55.766 56.287 0.006 0.000 0.801 416 K CB 2.179 34.687 32.500 0.014 0.000 1.271 416 K HN 0.079 nan 8.250 nan 0.000 0.430 417 C N 1.114 120.413 119.300 -0.002 0.000 2.656 417 C HA 0.162 4.622 4.460 -0.000 0.000 0.391 417 C C 2.148 177.135 174.990 -0.005 0.000 1.300 417 C CA -0.061 58.954 59.018 -0.005 0.000 2.302 417 C CB 0.238 27.980 27.740 0.004 0.000 2.655 417 C HN 0.788 nan 8.230 nan 0.000 0.656 418 T N 1.239 115.787 114.554 -0.009 0.000 2.953 418 T HA 0.109 4.459 4.350 -0.000 0.000 0.247 418 T C 0.720 175.405 174.700 -0.026 0.000 1.029 418 T CA 0.517 62.609 62.100 -0.014 0.000 1.144 418 T CB -0.063 68.798 68.868 -0.013 0.000 0.870 418 T HN 0.433 nan 8.240 nan 0.000 0.446 419 L N 3.161 124.362 121.223 -0.036 0.000 2.464 419 L HA 0.266 4.606 4.340 -0.000 0.000 0.264 419 L C -1.912 174.922 176.870 -0.061 0.000 1.199 419 L CA -2.037 52.761 54.840 -0.070 0.000 0.818 419 L CB -0.234 41.773 42.059 -0.086 0.000 1.102 419 L HN 0.081 nan 8.230 nan 0.000 0.473 420 P HA 0.029 nan 4.420 nan 0.000 0.265 420 P C -0.565 176.804 177.300 0.115 0.000 1.193 420 P CA 0.055 63.136 63.100 -0.032 0.000 0.765 420 P CB 0.480 32.087 31.700 -0.154 0.000 0.823 421 L N 2.753 124.098 121.223 0.203 0.000 2.467 421 L HA 0.077 4.417 4.340 -0.000 0.000 0.270 421 L C 1.812 178.936 176.870 0.423 0.000 1.205 421 L CA 0.198 55.181 54.840 0.239 0.000 0.828 421 L CB -0.188 41.939 42.059 0.113 0.000 1.101 421 L HN 0.408 nan 8.230 nan 0.000 0.479 422 T N -0.131 114.594 114.554 0.286 0.000 3.015 422 T HA 0.261 4.611 4.350 -0.000 0.000 0.250 422 T C 0.391 175.124 174.700 0.054 0.000 1.057 422 T CA 0.442 62.642 62.100 0.166 0.000 1.066 422 T CB 0.621 69.606 68.868 0.196 0.000 0.959 422 T HN 0.840 nan 8.240 nan 0.000 0.488 423 G N 0.708 109.551 108.800 0.072 0.000 2.473 423 G HA2 0.452 4.412 3.960 -0.000 0.000 0.298 423 G HA3 0.452 4.412 3.960 -0.000 0.000 0.298 423 G C -1.878 173.048 174.900 0.043 0.000 1.575 423 G CA -0.929 44.199 45.100 0.047 0.000 0.846 423 G HN 0.017 nan 8.290 nan 0.000 0.585 424 K N 1.064 121.485 120.400 0.034 0.000 2.143 424 K HA 0.365 4.685 4.320 -0.000 0.000 0.272 424 K C 0.245 176.879 176.600 0.056 0.000 1.001 424 K CA -0.450 55.856 56.287 0.032 0.000 0.915 424 K CB 1.010 33.508 32.500 -0.003 0.000 1.047 424 K HN 0.669 nan 8.250 nan 0.000 0.458 425 Q N 0.419 120.254 119.800 0.059 0.000 2.426 425 Q HA -0.247 4.093 4.340 -0.000 0.000 0.359 425 Q C 0.382 176.416 176.000 0.057 0.000 1.381 425 Q CA 0.459 56.303 55.803 0.069 0.000 1.060 425 Q CB -1.868 26.907 28.738 0.062 0.000 1.253 425 Q HN 0.855 nan 8.270 nan 0.000 0.363 426 C N -4.382 114.950 119.300 0.053 0.000 3.559 426 C HA 0.442 4.902 4.460 -0.000 0.000 0.314 426 C C 0.844 175.859 174.990 0.042 0.000 1.419 426 C CA -0.445 58.602 59.018 0.048 0.000 1.775 426 C CB -0.131 27.640 27.740 0.052 0.000 2.430 426 C HN 0.340 nan 8.230 nan 0.000 0.686 427 V N 3.656 123.593 119.914 0.038 0.000 2.498 427 V HA 0.235 4.355 4.120 -0.000 0.000 0.279 427 V C 0.421 176.531 176.094 0.028 0.000 1.048 427 V CA 0.582 62.899 62.300 0.028 0.000 0.967 427 V CB 0.914 32.746 31.823 0.015 0.000 0.988 427 V HN 0.476 nan 8.190 nan 0.000 0.473 428 N N 2.818 121.534 118.700 0.026 0.000 2.415 428 N HA 0.181 4.921 4.740 -0.000 0.000 0.174 428 N C 0.518 176.045 175.510 0.028 0.000 1.048 428 N CA 0.002 53.069 53.050 0.028 0.000 0.895 428 N CB 0.478 38.979 38.487 0.024 0.000 1.036 428 N HN 0.640 nan 8.380 nan 0.000 0.449 429 R N 0.564 121.078 120.500 0.023 0.000 2.594 429 R HA 0.427 4.767 4.340 -0.000 0.000 0.265 429 R C -2.059 174.260 176.300 0.031 0.000 1.070 429 R CA -0.465 55.654 56.100 0.032 0.000 0.909 429 R CB 1.170 31.479 30.300 0.016 0.000 1.243 429 R HN -0.082 nan 8.270 nan 0.000 0.455 430 I N 5.218 125.829 120.570 0.067 0.000 2.433 430 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 430 I C -0.341 175.825 176.117 0.081 0.000 1.001 430 I CA -0.857 60.484 61.300 0.069 0.000 1.119 430 I CB 2.030 40.080 38.000 0.083 0.000 1.289 430 I HN 0.462 nan 8.210 nan 0.000 0.438 431 I N 5.631 126.223 120.570 0.036 0.000 2.448 431 I HA 0.260 4.430 4.170 -0.000 0.000 0.281 431 I C 0.336 176.464 176.117 0.019 0.000 1.027 431 I CA -0.229 61.081 61.300 0.017 0.000 1.111 431 I CB 1.798 39.785 38.000 -0.021 0.000 1.236 431 I HN 0.644 nan 8.210 nan 0.000 0.452 432 T N 1.074 115.660 114.554 0.053 0.000 2.889 432 T HA 0.281 4.630 4.350 -0.000 0.000 0.278 432 T C 1.014 175.709 174.700 -0.008 0.000 0.995 432 T CA -0.529 61.608 62.100 0.062 0.000 0.966 432 T CB 1.543 70.545 68.868 0.222 0.000 1.237 432 T HN 0.592 nan 8.240 nan 0.000 0.591 433 E N 0.238 120.406 120.200 -0.054 0.000 2.435 433 E HA 0.006 4.356 4.350 -0.000 0.000 0.195 433 E C 1.220 177.650 176.600 -0.283 0.000 1.029 433 E CA 0.703 56.974 56.400 -0.215 0.000 0.865 433 E CB -0.076 29.463 29.700 -0.268 0.000 0.833 433 E HN 0.757 nan 8.360 nan 0.000 0.510 434 K N 0.139 120.470 120.400 -0.115 0.000 2.262 434 K HA 0.360 4.680 4.320 -0.000 0.000 0.200 434 K C 0.844 177.424 176.600 -0.033 0.000 1.058 434 K CA 0.768 57.001 56.287 -0.091 0.000 0.974 434 K CB 0.828 33.193 32.500 -0.226 0.000 0.910 434 K HN 0.133 nan 8.250 nan 0.000 0.484 435 A N 0.608 123.405 122.820 -0.037 0.000 2.564 435 A HA 0.652 4.972 4.320 -0.000 0.000 0.288 435 A C -1.516 175.966 177.584 -0.169 0.000 1.164 435 A CA -0.591 51.340 52.037 -0.178 0.000 0.712 435 A CB 1.844 20.575 19.000 -0.448 0.000 1.303 435 A HN -0.100 nan 8.150 nan 0.000 0.418 436 V N 0.695 120.425 119.914 -0.307 0.000 2.525 436 V HA 0.542 4.662 4.120 -0.000 0.000 0.299 436 V C -1.484 174.430 176.094 -0.300 0.000 1.034 436 V CA -0.149 62.042 62.300 -0.180 0.000 0.863 436 V CB 0.977 32.738 31.823 -0.103 0.000 0.999 436 V HN 0.662 nan 8.190 nan 0.000 0.423 437 F N 2.031 121.940 119.950 -0.069 0.000 2.480 437 F HA 0.575 5.102 4.527 -0.000 0.000 0.329 437 F C 0.326 176.094 175.800 -0.053 0.000 1.091 437 F CA -0.621 57.328 58.000 -0.085 0.000 0.972 437 F CB 1.625 40.551 39.000 -0.123 0.000 1.150 437 F HN 0.355 nan 8.300 nan 0.000 0.467 438 D N 1.609 122.109 120.400 0.166 0.000 2.168 438 D HA 0.409 5.049 4.640 -0.000 0.000 0.246 438 D C -1.088 175.271 176.300 0.099 0.000 1.050 438 D CA -0.028 54.029 54.000 0.095 0.000 0.857 438 D CB 2.144 42.984 40.800 0.066 0.000 1.169 438 D HN 0.317 nan 8.370 nan 0.000 0.453 439 V N 1.782 121.732 119.914 0.061 0.000 2.604 439 V HA 0.563 4.683 4.120 -0.000 0.000 0.305 439 V C -1.320 174.804 176.094 0.050 0.000 1.043 439 V CA -0.624 61.697 62.300 0.035 0.000 0.888 439 V CB 2.168 33.989 31.823 -0.004 0.000 0.995 439 V HN 0.479 nan 8.190 nan 0.000 0.429 440 D N 3.508 123.949 120.400 0.068 0.000 2.498 440 D HA 0.466 5.106 4.640 -0.000 0.000 0.247 440 D C 1.014 177.409 176.300 0.159 0.000 1.070 440 D CA -0.615 53.442 54.000 0.094 0.000 0.842 440 D CB 2.149 43.004 40.800 0.092 0.000 1.361 440 D HN 0.553 nan 8.370 nan 0.000 0.484 441 R N 1.789 122.366 120.500 0.128 0.000 2.154 441 R HA -0.132 4.208 4.340 -0.000 0.000 0.248 441 R C 1.190 177.569 176.300 0.132 0.000 1.155 441 R CA 1.162 57.341 56.100 0.132 0.000 0.979 441 R CB 0.050 30.385 30.300 0.057 0.000 0.869 441 R HN 0.352 nan 8.270 nan 0.000 0.452 442 K N -0.150 120.325 120.400 0.125 0.000 2.273 442 K HA 0.111 4.431 4.320 -0.000 0.000 0.206 442 K C 1.760 178.493 176.600 0.223 0.000 1.072 442 K CA 0.491 56.823 56.287 0.074 0.000 0.953 442 K CB 0.146 32.664 32.500 0.031 0.000 1.043 442 K HN -0.073 nan 8.250 nan 0.000 0.477 443 K N 0.951 121.469 120.400 0.197 0.000 2.365 443 K HA 0.036 4.356 4.320 -0.000 0.000 0.199 443 K C 1.149 177.862 176.600 0.189 0.000 1.045 443 K CA 0.811 57.206 56.287 0.181 0.000 0.962 443 K CB -0.217 32.349 32.500 0.110 0.000 0.759 443 K HN 0.415 nan 8.250 nan 0.000 0.469 444 G N 1.302 110.219 108.800 0.193 0.000 2.527 444 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.227 444 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.227 444 G C -0.473 174.387 174.900 -0.067 0.000 1.291 444 G CA -0.194 44.815 45.100 -0.151 0.000 0.904 444 G HN 0.231 nan 8.290 nan 0.000 0.577 445 L N -1.199 119.965 121.223 -0.099 0.000 2.344 445 L HA 0.942 5.282 4.340 -0.000 0.000 0.272 445 L C 0.343 177.317 176.870 0.174 0.000 1.035 445 L CA -0.246 54.594 54.840 0.001 0.000 0.807 445 L CB 2.007 43.952 42.059 -0.191 0.000 1.237 445 L HN 1.289 nan 8.230 nan 0.000 0.442 446 T N 0.032 114.736 114.554 0.249 0.000 3.011 446 T HA 0.453 4.803 4.350 -0.000 0.000 0.303 446 T C -0.709 174.129 174.700 0.229 0.000 0.997 446 T CA -0.661 61.599 62.100 0.266 0.000 1.007 446 T CB 1.614 70.576 68.868 0.156 0.000 1.017 446 T HN 0.608 nan 8.240 nan 0.000 0.443 447 L N 5.116 126.433 121.223 0.156 0.000 2.462 447 L HA 0.480 4.820 4.340 -0.000 0.000 0.272 447 L C 0.886 177.690 176.870 -0.110 0.000 1.166 447 L CA -0.068 54.632 54.840 -0.234 0.000 0.880 447 L CB -0.024 41.855 42.059 -0.300 0.000 1.142 447 L HN 0.854 nan 8.230 nan 0.000 0.473 448 I N -0.228 120.245 120.570 -0.161 0.000 4.403 448 I HA 0.458 4.628 4.170 -0.000 0.000 0.331 448 I C -0.263 175.800 176.117 -0.090 0.000 1.327 448 I CA -0.203 61.050 61.300 -0.079 0.000 1.175 448 I CB 0.300 38.275 38.000 -0.041 0.000 1.165 448 I HN 0.508 nan 8.210 nan 0.000 0.413 449 E N 2.259 122.372 120.200 -0.145 0.000 2.304 449 E HA 0.553 4.903 4.350 -0.000 0.000 0.277 449 E C -1.756 174.767 176.600 -0.129 0.000 0.898 449 E CA -0.605 55.733 56.400 -0.104 0.000 0.764 449 E CB 3.539 33.196 29.700 -0.071 0.000 1.216 449 E HN 0.133 nan 8.360 nan 0.000 0.419 450 L N 2.792 123.973 121.223 -0.070 0.000 2.386 450 L HA 0.486 4.826 4.340 -0.000 0.000 0.271 450 L C -1.149 175.743 176.870 0.036 0.000 0.993 450 L CA -0.939 53.875 54.840 -0.042 0.000 0.819 450 L CB 1.352 43.382 42.059 -0.048 0.000 1.294 450 L HN 0.668 nan 8.230 nan 0.000 0.414 451 W N 4.519 125.759 121.300 -0.100 0.000 2.216 451 W HA 0.107 4.767 4.660 -0.000 0.000 0.326 451 W C 0.571 177.055 176.519 -0.058 0.000 1.319 451 W CA -0.014 57.287 57.345 -0.074 0.000 1.213 451 W CB 0.487 29.904 29.460 -0.072 0.000 1.171 451 W HN 0.492 nan 8.180 nan 0.000 0.557 452 E N 3.843 123.517 120.200 -0.876 0.000 2.614 452 E HA 0.187 4.537 4.350 -0.000 0.000 0.245 452 E C 1.038 177.143 176.600 -0.825 0.000 1.039 452 E CA 1.541 57.470 56.400 -0.785 0.000 0.948 452 E CB -0.347 28.879 29.700 -0.790 0.000 0.937 452 E HN 0.852 nan 8.360 nan 0.000 0.498 453 G N 3.755 112.331 108.800 -0.373 0.000 2.352 453 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.204 453 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.204 453 G C 0.119 174.990 174.900 -0.047 0.000 1.004 453 G CA -0.071 44.901 45.100 -0.214 0.000 0.648 453 G HN 0.465 nan 8.290 nan 0.000 0.491 454 L N 1.669 122.899 121.223 0.013 0.000 2.431 454 L HA 0.748 5.087 4.340 -0.000 0.000 0.260 454 L C 1.062 177.944 176.870 0.019 0.000 1.098 454 L CA -0.156 54.720 54.840 0.060 0.000 0.800 454 L CB 1.594 43.725 42.059 0.121 0.000 1.210 454 L HN 0.421 nan 8.230 nan 0.000 0.465 455 T N -3.122 111.449 114.554 0.029 0.000 2.926 455 T HA 0.336 4.686 4.350 -0.000 0.000 0.289 455 T C 0.828 175.563 174.700 0.058 0.000 1.054 455 T CA -0.787 61.330 62.100 0.030 0.000 1.015 455 T CB 1.635 70.519 68.868 0.026 0.000 1.167 455 T HN 0.158 nan 8.240 nan 0.000 0.526 456 V N 1.058 121.018 119.914 0.076 0.000 2.568 456 V HA -0.142 3.978 4.120 -0.000 0.000 0.253 456 V C 2.409 178.604 176.094 0.168 0.000 1.072 456 V CA 2.052 64.443 62.300 0.152 0.000 1.084 456 V CB -0.758 31.149 31.823 0.139 0.000 0.676 456 V HN 0.903 nan 8.190 nan 0.000 0.469 457 D N -0.157 120.301 120.400 0.096 0.000 2.144 457 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 457 D C 1.870 178.228 176.300 0.097 0.000 0.978 457 D CA 1.232 55.282 54.000 0.083 0.000 0.833 457 D CB -0.092 40.737 40.800 0.049 0.000 0.961 457 D HN 0.431 nan 8.370 nan 0.000 0.470 458 D N 0.470 120.917 120.400 0.078 0.000 2.117 458 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 458 D C 2.118 178.460 176.300 0.070 0.000 0.987 458 D CA 0.433 54.470 54.000 0.060 0.000 0.829 458 D CB -0.108 40.715 40.800 0.038 0.000 0.961 458 D HN 0.233 nan 8.370 nan 0.000 0.460 459 I N 0.725 121.353 120.570 0.097 0.000 2.439 459 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 459 I C 2.224 178.546 176.117 0.342 0.000 1.139 459 I CA 0.742 62.117 61.300 0.124 0.000 1.438 459 I CB -0.841 37.221 38.000 0.103 0.000 1.085 459 I HN -0.021 nan 8.210 nan 0.000 0.427 460 K N 2.652 123.275 120.400 0.371 0.000 2.063 460 K HA -0.191 4.128 4.320 -0.000 0.000 0.208 460 K C 1.763 178.517 176.600 0.256 0.000 1.048 460 K CA 1.663 58.153 56.287 0.337 0.000 0.928 460 K CB -0.182 32.406 32.500 0.147 0.000 0.713 460 K HN 0.440 nan 8.250 nan 0.000 0.442 461 K N -0.977 119.544 120.400 0.203 0.000 2.476 461 K HA 0.160 4.480 4.320 -0.000 0.000 0.196 461 K C 0.258 177.015 176.600 0.261 0.000 1.025 461 K CA 0.448 56.854 56.287 0.199 0.000 1.138 461 K CB 0.584 33.156 32.500 0.120 0.000 0.860 461 K HN -0.099 nan 8.250 nan 0.000 0.515 462 S N 0.465 116.355 115.700 0.317 0.000 2.846 462 S HA 0.124 4.594 4.470 -0.000 0.000 0.249 462 S C -0.711 174.232 174.600 0.572 0.000 1.028 462 S CA -0.437 57.993 58.200 0.383 0.000 1.043 462 S CB 1.116 64.444 63.200 0.214 0.000 0.990 462 S HN 0.255 nan 8.310 nan 0.000 0.564 463 T N 0.596 115.398 114.554 0.412 0.000 2.881 463 T HA 0.372 4.722 4.350 -0.000 0.000 0.291 463 T C 1.160 175.617 174.700 -0.405 0.000 0.990 463 T CA -0.585 61.580 62.100 0.107 0.000 0.976 463 T CB 1.608 70.616 68.868 0.233 0.000 0.970 463 T HN 0.173 nan 8.240 nan 0.000 0.438 464 G N 1.298 109.586 108.800 -0.853 0.000 2.586 464 G HA2 0.056 4.016 3.960 -0.000 0.000 0.215 464 G HA3 0.056 4.016 3.960 -0.000 0.000 0.215 464 G C 0.761 175.454 174.900 -0.345 0.000 1.128 464 G CA 0.552 45.111 45.100 -0.902 0.000 0.774 464 G HN 0.945 nan 8.290 nan 0.000 0.543 465 C N -1.399 117.774 119.300 -0.212 0.000 2.994 465 C HA 0.663 5.123 4.460 -0.000 0.000 0.304 465 C C -0.422 174.558 174.990 -0.017 0.000 1.273 465 C CA -1.704 57.244 59.018 -0.118 0.000 1.537 465 C CB 1.719 29.368 27.740 -0.153 0.000 2.001 465 C HN 0.113 nan 8.230 nan 0.000 0.471 466 D N 0.679 121.056 120.400 -0.039 0.000 2.354 466 D HA 0.587 5.227 4.640 -0.000 0.000 0.238 466 D C -0.291 176.044 176.300 0.059 0.000 1.250 466 D CA 0.708 54.671 54.000 -0.060 0.000 0.911 466 D CB 0.370 41.111 40.800 -0.099 0.000 1.163 466 D HN 0.778 nan 8.370 nan 0.000 0.456 467 F N -2.521 117.422 119.950 -0.011 0.000 2.744 467 F HA 0.626 5.153 4.527 -0.000 0.000 0.311 467 F C -1.426 174.413 175.800 0.064 0.000 1.144 467 F CA -1.414 56.600 58.000 0.023 0.000 0.938 467 F CB 0.540 39.599 39.000 0.098 0.000 1.292 467 F HN 0.312 nan 8.300 nan 0.000 0.444 468 A N 1.052 124.083 122.820 0.351 0.000 2.264 468 A HA 0.814 5.134 4.320 -0.000 0.000 0.304 468 A C -1.221 176.574 177.584 0.352 0.000 1.100 468 A CA -0.801 51.369 52.037 0.222 0.000 0.839 468 A CB 1.268 20.356 19.000 0.147 0.000 1.121 468 A HN 0.973 nan 8.150 nan 0.000 0.496 469 V N 1.535 121.570 119.914 0.201 0.000 2.378 469 V HA 0.351 4.471 4.120 -0.000 0.000 0.288 469 V C 0.647 176.802 176.094 0.102 0.000 1.016 469 V CA -0.477 61.933 62.300 0.184 0.000 0.840 469 V CB 1.264 33.173 31.823 0.145 0.000 0.994 469 V HN 0.987 nan 8.190 nan 0.000 0.431 470 S N 7.273 123.021 115.700 0.080 0.000 2.549 470 S HA 0.167 4.637 4.470 -0.000 0.000 0.286 470 S C -0.643 173.977 174.600 0.033 0.000 1.314 470 S CA -0.669 57.560 58.200 0.049 0.000 1.062 470 S CB 0.889 64.107 63.200 0.031 0.000 0.865 470 S HN 0.711 nan 8.310 nan 0.000 0.498 471 P HA 0.016 nan 4.420 nan 0.000 0.230 471 P C -0.002 177.304 177.300 0.011 0.000 1.158 471 P CA 0.745 63.856 63.100 0.018 0.000 0.769 471 P CB 0.147 31.857 31.700 0.017 0.000 0.807 472 K N 0.227 120.633 120.400 0.009 0.000 2.832 472 K HA 0.213 4.533 4.320 -0.000 0.000 0.211 472 K C 0.264 176.861 176.600 -0.005 0.000 1.112 472 K CA -1.066 55.222 56.287 0.002 0.000 1.108 472 K CB -0.378 32.124 32.500 0.003 0.000 0.899 472 K HN 0.127 nan 8.250 nan 0.000 0.464 473 L N 2.573 123.794 121.223 -0.004 0.000 2.534 473 L HA 0.148 4.488 4.340 -0.000 0.000 0.271 473 L C 0.043 176.899 176.870 -0.023 0.000 1.178 473 L CA 0.200 55.030 54.840 -0.016 0.000 0.907 473 L CB -0.129 41.924 42.059 -0.009 0.000 1.164 473 L HN 0.250 nan 8.230 nan 0.000 0.482 474 I N 4.093 124.645 120.570 -0.031 0.000 2.797 474 I HA 0.730 4.900 4.170 -0.000 0.000 0.307 474 I C -2.341 173.750 176.117 -0.043 0.000 1.033 474 I CA -2.346 58.933 61.300 -0.034 0.000 1.071 474 I CB 1.766 39.749 38.000 -0.028 0.000 1.255 474 I HN 0.433 nan 8.210 nan 0.000 0.445 478 Q N 0.336 120.148 119.800 0.020 0.000 2.553 478 Q HA 0.737 5.077 4.340 -0.000 0.000 0.293 478 Q C -1.255 174.742 176.000 -0.004 0.000 1.038 478 Q CA -0.757 55.047 55.803 0.002 0.000 0.777 478 Q CB 3.084 31.838 28.738 0.028 0.000 1.487 478 Q HN 0.580 nan 8.270 nan 0.000 0.426 479 V N -1.987 117.911 119.914 -0.027 0.000 2.757 479 V HA 0.365 4.485 4.120 -0.000 0.000 0.262 479 V C -0.017 176.110 176.094 0.055 0.000 0.971 479 V CA -0.536 61.775 62.300 0.018 0.000 0.906 479 V CB 0.942 32.790 31.823 0.042 0.000 1.056 479 V HN 0.760 nan 8.190 nan 0.000 0.489 480 T N 1.965 116.571 114.554 0.087 0.000 3.081 480 T HA 0.290 4.640 4.350 -0.000 0.000 0.250 480 T C 0.670 175.469 174.700 0.165 0.000 1.100 480 T CA 1.438 63.647 62.100 0.182 0.000 1.038 480 T CB 0.163 69.112 68.868 0.135 0.000 0.962 480 T HN 0.865 nan 8.240 nan 0.000 0.516 481 T N 0.000 114.620 114.554 0.109 0.000 3.816 481 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 481 T CA 0.000 62.148 62.100 0.080 0.000 1.349 481 T CB 0.000 68.902 68.868 0.056 0.000 0.612 481 T HN 0.000 nan 8.240 nan 0.000 0.658