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 1w7n_1_A DATA FIRST_RESID 4 DATA SEQUENCE QLQARRLDGI DYNPWVEFVK LASEHDVVNL GQGFPDFPPP DFAVEAFQHA DATA SEQUENCE VSGDFMLNQY TKTFGYPPLT KILASFFGEL LGQEIDPLRN VLVTVGGYGA DATA SEQUENCE LFTAFQALVD EGDEVIIIEP FFDCYEPMTM MAGGRPVFVS LKPGPXXXGE DATA SEQUENCE LGSSSNWQLD PMELAGKFTS RTKALVLNTP NNPLGKVFSR EELELVASLC DATA SEQUENCE QQHDVVCITD EVYQWMVYDG HQHISIASLP GMWERTLTIG SAGKTFSATG DATA SEQUENCE WKVGWVLGPD HIMKHLRTVH QNSVFHCPTQ SQAAVAESFE REQLLFRQPS DATA SEQUENCE SYFVQFPQAM QRCRDHMIRS LQSVGLKPLI PQGSYFLITD ISDFKRKMPD DATA SEQUENCE LPGAVDEPYD RRFVKWMIKN KGLVAIPVSI FYSVPHQKHF DHYIRFCFVK DATA SEQUENCE DEATLQAMDE KLRKWKVE 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.006 176.000 0.010 0.000 1.003 4 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 4 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 5 L N 2.593 123.822 121.223 0.010 0.000 2.095 5 L HA 0.097 4.437 4.340 -0.000 0.000 0.204 5 L C 1.140 178.018 176.870 0.012 0.000 1.080 5 L CA 0.985 55.831 54.840 0.010 0.000 0.759 5 L CB -0.136 41.928 42.059 0.009 0.000 0.914 5 L HN 0.164 nan 8.230 nan 0.000 0.439 6 Q N 1.274 121.082 119.800 0.013 0.000 2.417 6 Q HA 0.279 4.619 4.340 -0.000 0.000 0.241 6 Q C -0.129 175.881 176.000 0.017 0.000 1.008 6 Q CA 0.148 55.961 55.803 0.016 0.000 0.901 6 Q CB 0.599 29.348 28.738 0.017 0.000 1.259 6 Q HN 0.337 nan 8.270 nan 0.000 0.489 7 A N 2.121 124.953 122.820 0.021 0.000 2.351 7 A HA 0.197 4.517 4.320 -0.000 0.000 0.257 7 A C 1.028 178.625 177.584 0.023 0.000 1.087 7 A CA -0.401 51.650 52.037 0.022 0.000 0.798 7 A CB 0.309 19.326 19.000 0.028 0.000 1.033 7 A HN 0.839 nan 8.150 nan 0.000 0.488 8 R N 0.683 121.195 120.500 0.020 0.000 2.152 8 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 8 R C 2.017 178.330 176.300 0.022 0.000 1.117 8 R CA 1.543 57.655 56.100 0.019 0.000 0.981 8 R CB -0.278 30.031 30.300 0.015 0.000 0.870 8 R HN 0.879 nan 8.270 nan 0.000 0.451 9 R N 1.171 121.687 120.500 0.026 0.000 2.200 9 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 9 R C 1.608 177.928 176.300 0.035 0.000 1.127 9 R CA 1.300 57.419 56.100 0.031 0.000 0.989 9 R CB -0.657 29.668 30.300 0.042 0.000 0.869 9 R HN 0.254 nan 8.270 nan 0.000 0.459 10 L N 1.195 122.438 121.223 0.034 0.000 2.478 10 L HA 0.057 4.397 4.340 -0.000 0.000 0.223 10 L C -0.103 176.787 176.870 0.033 0.000 1.140 10 L CA 0.001 54.861 54.840 0.034 0.000 0.842 10 L CB -0.564 41.513 42.059 0.031 0.000 0.953 10 L HN 0.026 nan 8.230 nan 0.000 0.452 11 D N 1.624 122.041 120.400 0.028 0.000 2.520 11 D HA 0.202 4.842 4.640 -0.000 0.000 0.243 11 D C 1.321 177.641 176.300 0.033 0.000 1.160 11 D CA 1.407 55.424 54.000 0.028 0.000 0.877 11 D CB 0.754 41.568 40.800 0.022 0.000 1.150 11 D HN 0.310 nan 8.370 nan 0.000 0.494 12 G N 2.381 111.204 108.800 0.039 0.000 2.179 12 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.260 12 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.260 12 G C 0.832 175.770 174.900 0.063 0.000 0.977 12 G CA 0.432 45.561 45.100 0.049 0.000 0.641 12 G HN 0.675 nan 8.290 nan 0.000 0.533 13 I N -1.694 118.911 120.570 0.059 0.000 4.009 13 I HA 0.424 4.594 4.170 -0.000 0.000 0.331 13 I C 1.213 177.370 176.117 0.068 0.000 1.462 13 I CA 0.628 61.964 61.300 0.061 0.000 1.117 13 I CB 0.320 38.347 38.000 0.045 0.000 1.091 13 I HN 0.056 nan 8.210 nan 0.000 0.410 14 D N 0.244 120.695 120.400 0.086 0.000 2.289 14 D HA -0.133 4.507 4.640 -0.000 0.000 0.207 14 D C 0.734 177.117 176.300 0.139 0.000 0.966 14 D CA 0.312 54.366 54.000 0.090 0.000 0.868 14 D CB -0.067 40.781 40.800 0.080 0.000 0.943 14 D HN 0.412 nan 8.370 nan 0.000 0.514 15 Y N 1.310 121.624 120.300 0.023 0.000 2.336 15 Y HA 0.381 4.931 4.550 -0.000 0.000 0.335 15 Y C -0.843 175.084 175.900 0.044 0.000 1.046 15 Y CA -1.486 56.631 58.100 0.029 0.000 1.198 15 Y CB 0.746 39.219 38.460 0.022 0.000 1.182 15 Y HN -0.199 nan 8.280 nan 0.000 0.502 16 N N 7.496 125.846 118.700 -0.583 0.000 2.511 16 N HA 0.374 5.114 4.740 -0.000 0.000 0.249 16 N C -2.262 172.806 175.510 -0.736 0.000 0.971 16 N CA -2.081 50.713 53.050 -0.427 0.000 0.938 16 N CB 1.599 40.011 38.487 -0.126 0.000 1.131 16 N HN 0.313 nan 8.380 nan 0.000 0.505 17 P HA 0.017 nan 4.420 nan 0.000 0.225 17 P C 0.618 177.886 177.300 -0.054 0.000 1.156 17 P CA 0.581 63.469 63.100 -0.354 0.000 0.787 17 P CB 0.134 31.710 31.700 -0.208 0.000 0.802 18 W N 0.177 121.359 121.300 -0.197 0.000 2.302 18 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 18 W C 2.221 178.781 176.519 0.068 0.000 1.241 18 W CA 0.969 58.256 57.345 -0.098 0.000 1.264 18 W CB -1.750 27.641 29.460 -0.114 0.000 1.154 18 W HN -0.220 nan 8.180 nan 0.000 0.483 19 V N -0.019 120.020 119.914 0.208 0.000 2.220 19 V HA -0.369 3.751 4.120 -0.000 0.000 0.246 19 V C 2.013 178.203 176.094 0.159 0.000 1.049 19 V CA 2.275 64.660 62.300 0.142 0.000 1.003 19 V CB -1.432 30.420 31.823 0.048 0.000 0.634 19 V HN 0.222 nan 8.190 nan 0.000 0.444 20 E N -0.475 119.801 120.200 0.127 0.000 2.348 20 E HA -0.333 4.016 4.350 -0.000 0.000 0.234 20 E C 1.887 178.456 176.600 -0.051 0.000 1.110 20 E CA 2.715 59.126 56.400 0.018 0.000 0.987 20 E CB -0.287 29.380 29.700 -0.055 0.000 0.834 20 E HN 0.666 nan 8.360 nan 0.000 0.468 21 F N -0.863 119.112 119.950 0.043 0.000 2.187 21 F HA -0.080 4.447 4.527 -0.000 0.000 0.295 21 F C 2.342 178.174 175.800 0.052 0.000 1.091 21 F CA 0.469 58.490 58.000 0.035 0.000 1.308 21 F CB -0.583 38.433 39.000 0.026 0.000 1.030 21 F HN -0.089 nan 8.300 nan 0.000 0.487 22 V N 0.513 120.581 119.914 0.257 0.000 2.392 22 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 22 V C 2.666 178.828 176.094 0.114 0.000 1.059 22 V CA 1.749 64.151 62.300 0.170 0.000 1.051 22 V CB -0.443 31.466 31.823 0.144 0.000 0.658 22 V HN 0.245 nan 8.190 nan 0.000 0.455 23 K N -0.362 120.093 120.400 0.091 0.000 2.026 23 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 23 K C 2.152 178.786 176.600 0.057 0.000 1.048 23 K CA 1.806 58.128 56.287 0.058 0.000 0.929 23 K CB -0.352 32.171 32.500 0.038 0.000 0.713 23 K HN 0.391 nan 8.250 nan 0.000 0.439 24 L N 0.876 122.126 121.223 0.044 0.000 2.109 24 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 24 L C 2.231 179.168 176.870 0.112 0.000 1.086 24 L CA 1.807 56.679 54.840 0.053 0.000 0.760 24 L CB -0.552 41.470 42.059 -0.062 0.000 0.910 24 L HN 0.166 nan 8.230 nan 0.000 0.437 25 A N -1.066 121.810 122.820 0.094 0.000 1.969 25 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 25 A C 2.447 180.101 177.584 0.117 0.000 1.169 25 A CA 1.723 53.818 52.037 0.097 0.000 0.635 25 A CB -0.906 18.157 19.000 0.105 0.000 0.810 25 A HN 0.623 nan 8.150 nan 0.000 0.445 26 S N 0.527 116.288 115.700 0.102 0.000 2.461 26 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 26 S C 1.228 175.865 174.600 0.061 0.000 1.005 26 S CA 0.813 59.059 58.200 0.077 0.000 0.942 26 S CB -0.381 62.855 63.200 0.061 0.000 0.776 26 S HN 0.774 nan 8.310 nan 0.000 0.514 27 E N 0.778 121.024 120.200 0.078 0.000 2.370 27 E HA 0.205 4.555 4.350 -0.000 0.000 0.194 27 E C -0.352 176.175 176.600 -0.121 0.000 1.057 27 E CA -0.371 56.026 56.400 -0.006 0.000 1.011 27 E CB -0.180 29.506 29.700 -0.024 0.000 1.132 27 E HN 0.600 nan 8.360 nan 0.000 0.450 28 H N 0.377 119.437 119.070 -0.015 0.000 3.016 28 H HA 0.159 4.715 4.556 -0.000 0.000 0.362 28 H C -1.486 173.833 175.328 -0.015 0.000 1.233 28 H CA -0.948 55.084 56.048 -0.027 0.000 1.124 28 H CB 2.153 31.889 29.762 -0.043 0.000 1.850 28 H HN 0.105 nan 8.280 nan 0.000 0.549 29 D N 1.965 122.429 120.400 0.107 0.000 2.316 29 D HA 0.366 5.006 4.640 -0.000 0.000 0.245 29 D C -0.602 175.736 176.300 0.064 0.000 1.171 29 D CA -0.264 53.774 54.000 0.063 0.000 0.856 29 D CB 0.503 41.323 40.800 0.034 0.000 1.090 29 D HN 0.369 nan 8.370 nan 0.000 0.476 30 V N 1.048 120.997 119.914 0.059 0.000 3.078 30 V HA 0.626 4.746 4.120 -0.000 0.000 0.311 30 V C -0.492 175.635 176.094 0.056 0.000 1.138 30 V CA -1.104 61.226 62.300 0.051 0.000 1.007 30 V CB 1.777 33.632 31.823 0.053 0.000 1.045 30 V HN 0.241 nan 8.190 nan 0.000 0.432 31 V N 2.452 122.404 119.914 0.064 0.000 2.350 31 V HA 0.415 4.535 4.120 -0.000 0.000 0.276 31 V C 0.199 176.343 176.094 0.084 0.000 1.028 31 V CA -0.358 61.986 62.300 0.073 0.000 0.860 31 V CB 0.922 32.796 31.823 0.084 0.000 0.990 31 V HN 0.911 nan 8.190 nan 0.000 0.453 32 N N 4.769 123.507 118.700 0.063 0.000 2.482 32 N HA 0.315 5.055 4.740 -0.000 0.000 0.242 32 N C 0.176 175.715 175.510 0.048 0.000 1.100 32 N CA -0.084 52.999 53.050 0.057 0.000 0.946 32 N CB 1.039 39.550 38.487 0.039 0.000 1.227 32 N HN 0.658 nan 8.380 nan 0.000 0.508 33 L N 1.189 122.477 121.223 0.108 0.000 2.769 33 L HA 0.335 4.675 4.340 -0.000 0.000 0.240 33 L C 1.874 178.812 176.870 0.113 0.000 1.163 33 L CA -0.152 54.781 54.840 0.155 0.000 0.962 33 L CB 0.657 42.941 42.059 0.375 0.000 1.258 33 L HN 0.418 nan 8.230 nan 0.000 0.513 34 G N -1.076 107.766 108.800 0.070 0.000 2.838 34 G HA2 0.004 3.964 3.960 -0.000 0.000 0.210 34 G HA3 0.004 3.964 3.960 -0.000 0.000 0.210 34 G C 0.620 175.632 174.900 0.186 0.000 1.153 34 G CA -0.219 44.934 45.100 0.088 0.000 0.778 34 G HN 0.293 nan 8.290 nan 0.000 0.539 35 Q N 0.780 120.629 119.800 0.082 0.000 2.293 35 Q HA 0.348 4.688 4.340 -0.000 0.000 0.263 35 Q C 0.597 176.601 176.000 0.007 0.000 1.002 35 Q CA -0.243 55.550 55.803 -0.016 0.000 0.910 35 Q CB 1.425 29.876 28.738 -0.479 0.000 1.185 35 Q HN 0.147 nan 8.270 nan 0.000 0.401 36 G N 3.985 113.032 108.800 0.413 0.000 3.574 36 G HA2 0.349 4.309 3.960 -0.000 0.000 0.262 36 G HA3 0.349 4.309 3.960 -0.000 0.000 0.262 36 G C -0.423 174.836 174.900 0.600 0.000 1.231 36 G CA -0.047 45.446 45.100 0.655 0.000 1.608 36 G HN 0.551 nan 8.290 nan 0.000 0.628 37 F N -3.212 116.804 119.950 0.110 0.000 2.703 37 F HA 0.635 5.162 4.527 -0.000 0.000 0.308 37 F C -3.118 172.525 175.800 -0.262 0.000 1.126 37 F CA -3.082 54.897 58.000 -0.035 0.000 0.959 37 F CB 0.502 39.532 39.000 0.050 0.000 1.297 37 F HN -0.186 nan 8.300 nan 0.000 0.441 38 P HA 0.114 nan 4.420 nan 0.000 0.269 38 P C -0.362 176.663 177.300 -0.458 0.000 1.217 38 P CA 0.250 62.918 63.100 -0.721 0.000 0.783 38 P CB 0.538 31.700 31.700 -0.897 0.000 0.898 39 D N 0.300 120.377 120.400 -0.538 0.000 2.535 39 D HA 0.121 4.761 4.640 -0.000 0.000 0.229 39 D C -0.269 176.000 176.300 -0.052 0.000 1.238 39 D CA -0.214 53.676 54.000 -0.183 0.000 0.824 39 D CB -0.654 40.086 40.800 -0.099 0.000 1.045 39 D HN 0.256 nan 8.370 nan 0.000 0.500 40 F N -0.923 119.069 119.950 0.070 0.000 2.598 40 F HA 0.854 5.381 4.527 -0.000 0.000 0.327 40 F C -2.719 173.120 175.800 0.064 0.000 1.057 40 F CA -3.011 55.032 58.000 0.071 0.000 0.957 40 F CB -0.416 38.635 39.000 0.086 0.000 1.278 40 F HN -0.393 nan 8.300 nan 0.000 0.484 41 P HA 0.367 nan 4.420 nan 0.000 0.272 41 P C -2.651 174.752 177.300 0.172 0.000 1.230 41 P CA -0.947 62.259 63.100 0.177 0.000 0.788 41 P CB 0.046 31.824 31.700 0.130 0.000 0.949 42 P HA 0.176 nan 4.420 nan 0.000 0.273 42 P C -2.291 174.917 177.300 -0.153 0.000 1.250 42 P CA -1.230 61.793 63.100 -0.128 0.000 0.793 42 P CB -1.151 30.377 31.700 -0.287 0.000 1.011 43 P HA -0.064 nan 4.420 nan 0.000 0.265 43 P C 0.075 177.189 177.300 -0.310 0.000 1.193 43 P CA 0.363 63.294 63.100 -0.283 0.000 0.765 43 P CB 0.563 31.909 31.700 -0.589 0.000 0.823 44 D N 2.248 122.602 120.400 -0.077 0.000 2.170 44 D HA -0.212 4.428 4.640 -0.000 0.000 0.193 44 D C 1.603 177.847 176.300 -0.093 0.000 1.004 44 D CA 1.546 55.520 54.000 -0.044 0.000 0.860 44 D CB -0.724 40.102 40.800 0.043 0.000 0.931 44 D HN 0.588 nan 8.370 nan 0.000 0.448 45 F N -0.167 119.718 119.950 -0.109 0.000 2.269 45 F HA 0.070 4.597 4.527 -0.000 0.000 0.301 45 F C 2.035 177.739 175.800 -0.160 0.000 1.082 45 F CA 0.967 58.891 58.000 -0.126 0.000 1.360 45 F CB -0.457 38.459 39.000 -0.140 0.000 1.041 45 F HN -0.055 nan 8.300 nan 0.000 0.512 46 A N 0.843 123.035 122.820 -1.047 0.000 1.887 46 A HA 0.109 4.429 4.320 -0.000 0.000 0.212 46 A C 2.225 179.743 177.584 -0.109 0.000 1.198 46 A CA 1.050 52.603 52.037 -0.805 0.000 0.628 46 A CB -1.147 17.127 19.000 -1.210 0.000 0.847 46 A HN 0.223 nan 8.150 nan 0.000 0.449 47 V N 0.646 120.504 119.914 -0.093 0.000 2.287 47 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 47 V C 2.403 178.491 176.094 -0.010 0.000 1.053 47 V CA 2.474 64.831 62.300 0.094 0.000 1.027 47 V CB -0.925 30.911 31.823 0.021 0.000 0.646 47 V HN 0.636 nan 8.190 nan 0.000 0.447 48 E N 0.110 120.229 120.200 -0.136 0.000 2.110 48 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 48 E C 2.334 178.609 176.600 -0.543 0.000 0.988 48 E CA 1.225 57.438 56.400 -0.312 0.000 0.804 48 E CB -0.383 29.163 29.700 -0.257 0.000 0.745 48 E HN 0.611 nan 8.360 nan 0.000 0.458 49 A N 1.075 123.716 122.820 -0.298 0.000 1.892 49 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 49 A C 2.007 179.512 177.584 -0.131 0.000 1.188 49 A CA 1.236 53.157 52.037 -0.194 0.000 0.631 49 A CB -0.948 17.984 19.000 -0.114 0.000 0.822 49 A HN 0.350 nan 8.150 nan 0.000 0.447 50 F N 0.091 119.857 119.950 -0.307 0.000 2.095 50 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 50 F C 2.818 178.467 175.800 -0.252 0.000 1.104 50 F CA 1.625 59.396 58.000 -0.382 0.000 1.232 50 F CB -0.111 38.592 39.000 -0.495 0.000 0.987 50 F HN 0.316 nan 8.300 nan 0.000 0.475 51 Q N -0.772 118.999 119.800 -0.049 0.000 2.135 51 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 51 Q C 1.696 177.711 176.000 0.025 0.000 0.981 51 Q CA 2.077 57.828 55.803 -0.088 0.000 0.856 51 Q CB -0.388 28.277 28.738 -0.121 0.000 0.902 51 Q HN 0.657 nan 8.270 nan 0.000 0.425 52 H N -0.776 118.304 119.070 0.017 0.000 2.389 52 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 52 H C 2.031 177.363 175.328 0.007 0.000 1.081 52 H CA 0.479 56.532 56.048 0.009 0.000 1.345 52 H CB 0.106 29.874 29.762 0.010 0.000 1.393 52 H HN 0.303 nan 8.280 nan 0.000 0.520 53 A N 0.968 123.865 122.820 0.128 0.000 1.968 53 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 53 A C 2.362 179.973 177.584 0.045 0.000 1.169 53 A CA 1.417 53.491 52.037 0.061 0.000 0.638 53 A CB -0.548 18.454 19.000 0.003 0.000 0.812 53 A HN 0.337 nan 8.150 nan 0.000 0.446 54 V N -2.029 117.913 119.914 0.048 0.000 3.623 54 V HA 0.114 4.234 4.120 -0.000 0.000 0.271 54 V C 1.522 177.617 176.094 0.003 0.000 1.248 54 V CA 1.572 63.869 62.300 -0.004 0.000 1.156 54 V CB -0.287 31.482 31.823 -0.090 0.000 0.870 54 V HN 0.640 nan 8.190 nan 0.000 0.453 55 S N -0.872 114.849 115.700 0.034 0.000 2.603 55 S HA 0.501 4.971 4.470 -0.000 0.000 0.232 55 S C 1.087 175.715 174.600 0.047 0.000 1.016 55 S CA 0.319 58.543 58.200 0.039 0.000 0.976 55 S CB 0.443 63.674 63.200 0.052 0.000 0.921 55 S HN 0.733 nan 8.310 nan 0.000 0.516 56 G N 1.405 110.233 108.800 0.047 0.000 3.329 56 G HA2 0.301 4.261 3.960 -0.000 0.000 0.180 56 G HA3 0.301 4.261 3.960 -0.000 0.000 0.180 56 G C -0.727 174.191 174.900 0.030 0.000 1.640 56 G CA -0.164 44.955 45.100 0.032 0.000 1.018 56 G HN 0.402 nan 8.290 nan 0.000 0.581 57 D N 0.357 120.751 120.400 -0.009 0.000 2.389 57 D HA 0.012 4.652 4.640 -0.000 0.000 0.263 57 D C 1.520 177.764 176.300 -0.094 0.000 1.255 57 D CA -0.563 53.390 54.000 -0.080 0.000 0.914 57 D CB 0.180 40.909 40.800 -0.118 0.000 1.116 57 D HN 0.186 nan 8.370 nan 0.000 0.502 58 F N 3.435 123.381 119.950 -0.006 0.000 2.225 58 F HA -0.193 4.334 4.527 -0.000 0.000 0.302 58 F C 1.550 177.338 175.800 -0.020 0.000 1.068 58 F CA 0.821 58.811 58.000 -0.017 0.000 1.327 58 F CB -0.681 38.307 39.000 -0.020 0.000 1.043 58 F HN 0.268 nan 8.300 nan 0.000 0.506 59 M N 0.701 119.989 119.600 -0.520 0.000 2.562 59 M HA 0.061 4.541 4.480 -0.000 0.000 0.257 59 M C 1.889 178.132 176.300 -0.095 0.000 1.099 59 M CA 0.645 55.790 55.300 -0.259 0.000 1.099 59 M CB -1.082 31.297 32.600 -0.367 0.000 1.427 59 M HN 0.381 nan 8.290 nan 0.000 0.489 60 L N 0.028 121.198 121.223 -0.088 0.000 2.549 60 L HA -0.198 4.142 4.340 -0.000 0.000 0.230 60 L C 1.654 178.489 176.870 -0.058 0.000 1.162 60 L CA 0.512 55.309 54.840 -0.071 0.000 0.834 60 L CB -0.648 41.365 42.059 -0.076 0.000 0.947 60 L HN 0.387 nan 8.230 nan 0.000 0.452 61 N N -1.224 117.463 118.700 -0.021 0.000 2.424 61 N HA 0.001 4.740 4.740 -0.000 0.000 0.178 61 N C 0.688 176.154 175.510 -0.074 0.000 1.060 61 N CA 0.308 53.340 53.050 -0.030 0.000 0.901 61 N CB 0.389 38.881 38.487 0.008 0.000 0.979 61 N HN 0.344 nan 8.380 nan 0.000 0.451 62 Q N -0.001 119.760 119.800 -0.065 0.000 2.171 62 Q HA 0.235 4.575 4.340 -0.000 0.000 0.217 62 Q C -0.133 175.816 176.000 -0.085 0.000 0.995 62 Q CA -0.554 55.170 55.803 -0.131 0.000 0.979 62 Q CB 0.000 28.701 28.738 -0.062 0.000 1.152 62 Q HN 0.188 nan 8.270 nan 0.000 0.525 63 Y N 0.119 120.371 120.300 -0.080 0.000 2.712 63 Y HA -0.042 4.508 4.550 -0.000 0.000 0.333 63 Y C 1.390 177.310 175.900 0.033 0.000 1.225 63 Y CA 0.394 58.433 58.100 -0.102 0.000 1.499 63 Y CB 0.473 38.830 38.460 -0.171 0.000 1.288 63 Y HN 0.403 nan 8.280 nan 0.000 0.575 64 T N 2.987 117.705 114.554 0.273 0.000 2.888 64 T HA 0.236 4.586 4.350 -0.000 0.000 0.283 64 T C -0.083 174.788 174.700 0.285 0.000 1.013 64 T CA -1.091 61.176 62.100 0.278 0.000 0.938 64 T CB 0.453 69.513 68.868 0.319 0.000 1.298 64 T HN 0.304 nan 8.240 nan 0.000 0.580 65 K N 1.769 122.296 120.400 0.212 0.000 2.436 65 K HA 0.080 4.400 4.320 -0.000 0.000 0.275 65 K C 1.431 178.046 176.600 0.026 0.000 0.999 65 K CA 0.230 56.575 56.287 0.096 0.000 0.980 65 K CB 0.471 32.997 32.500 0.042 0.000 0.919 65 K HN 0.772 nan 8.250 nan 0.000 0.484 66 T N 1.485 115.907 114.554 -0.220 0.000 2.635 66 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 66 T C 0.881 175.343 174.700 -0.397 0.000 1.040 66 T CA 1.540 63.339 62.100 -0.503 0.000 1.156 66 T CB -0.148 68.006 68.868 -1.190 0.000 0.863 66 T HN 0.421 nan 8.240 nan 0.000 0.430 67 F N 1.595 121.477 119.950 -0.113 0.000 2.696 67 F HA 0.556 5.083 4.527 -0.000 0.000 0.296 67 F C 1.263 177.012 175.800 -0.086 0.000 1.181 67 F CA -0.229 57.646 58.000 -0.207 0.000 1.411 67 F CB -0.491 38.394 39.000 -0.191 0.000 1.014 67 F HN 0.406 nan 8.300 nan 0.000 0.512 68 G N -0.402 108.465 108.800 0.111 0.000 2.627 68 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.680 68 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.680 68 G C -1.629 173.389 174.900 0.195 0.000 1.341 68 G CA -1.435 43.767 45.100 0.169 0.000 0.835 68 G HN 0.034 nan 8.290 nan 0.000 0.643 69 Y N 4.579 124.934 120.300 0.091 0.000 2.537 69 Y HA 0.451 5.001 4.550 -0.000 0.000 0.339 69 Y C -1.084 174.851 175.900 0.057 0.000 1.066 69 Y CA -1.321 56.823 58.100 0.073 0.000 1.357 69 Y CB 1.164 39.667 38.460 0.072 0.000 1.175 69 Y HN 0.343 nan 8.280 nan 0.000 0.525 70 P HA -0.177 nan 4.420 nan 0.000 0.215 70 P C -1.344 175.766 177.300 -0.318 0.000 1.163 70 P CA 2.179 65.126 63.100 -0.255 0.000 0.894 70 P CB -0.637 30.935 31.700 -0.213 0.000 0.791 71 P HA -0.192 nan 4.420 nan 0.000 0.216 71 P C 1.641 178.877 177.300 -0.107 0.000 1.154 71 P CA 1.085 64.007 63.100 -0.297 0.000 0.865 71 P CB -0.476 31.025 31.700 -0.332 0.000 0.789 72 L N -0.248 120.956 121.223 -0.031 0.000 1.994 72 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 72 L C 2.207 179.096 176.870 0.032 0.000 1.071 72 L CA 2.736 57.645 54.840 0.115 0.000 0.745 72 L CB -1.935 40.287 42.059 0.271 0.000 0.892 72 L HN 0.059 nan 8.230 nan 0.000 0.431 73 T N -2.874 111.688 114.554 0.013 0.000 2.833 73 T HA -0.233 4.117 4.350 -0.000 0.000 0.269 73 T C 1.980 176.663 174.700 -0.028 0.000 1.054 73 T CA 1.402 63.499 62.100 -0.005 0.000 1.135 73 T CB -0.459 68.420 68.868 0.017 0.000 0.869 73 T HN 0.315 nan 8.240 nan 0.000 0.466 74 K N 0.565 120.941 120.400 -0.041 0.000 1.991 74 K HA -0.098 4.222 4.320 -0.000 0.000 0.212 74 K C 2.299 178.881 176.600 -0.030 0.000 1.049 74 K CA 1.617 57.880 56.287 -0.040 0.000 0.932 74 K CB -0.424 32.043 32.500 -0.056 0.000 0.717 74 K HN 0.324 nan 8.250 nan 0.000 0.441 75 I N 1.760 122.315 120.570 -0.025 0.000 2.315 75 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 75 I C 2.020 178.109 176.117 -0.048 0.000 1.117 75 I CA 1.054 62.341 61.300 -0.022 0.000 1.404 75 I CB -0.206 37.802 38.000 0.015 0.000 1.071 75 I HN 0.217 nan 8.210 nan 0.000 0.419 76 L N 0.237 121.406 121.223 -0.090 0.000 1.970 76 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 76 L C 2.659 179.541 176.870 0.019 0.000 1.071 76 L CA 1.806 56.571 54.840 -0.126 0.000 0.751 76 L CB -1.036 40.846 42.059 -0.296 0.000 0.889 76 L HN 0.312 nan 8.230 nan 0.000 0.432 77 A N -0.788 122.026 122.820 -0.010 0.000 1.978 77 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 77 A C 2.509 180.097 177.584 0.007 0.000 1.170 77 A CA 2.220 54.262 52.037 0.009 0.000 0.636 77 A CB -0.629 18.368 19.000 -0.005 0.000 0.810 77 A HN 0.541 nan 8.150 nan 0.000 0.448 78 S N -1.594 114.109 115.700 0.006 0.000 2.336 78 S HA -0.097 4.373 4.470 -0.000 0.000 0.216 78 S C 1.852 176.468 174.600 0.026 0.000 1.032 78 S CA 1.381 59.585 58.200 0.006 0.000 0.973 78 S CB -0.574 62.627 63.200 0.002 0.000 0.888 78 S HN 0.514 nan 8.310 nan 0.000 0.455 79 F N 1.312 121.142 119.950 -0.199 0.000 2.146 79 F HA 0.170 4.697 4.527 -0.000 0.000 0.298 79 F C 1.640 177.197 175.800 -0.406 0.000 1.096 79 F CA 0.731 58.519 58.000 -0.353 0.000 1.275 79 F CB -0.820 37.872 39.000 -0.514 0.000 1.008 79 F HN 0.276 nan 8.300 nan 0.000 0.480 80 F N 0.066 119.879 119.950 -0.228 0.000 2.234 80 F HA 0.123 4.650 4.527 -0.000 0.000 0.296 80 F C 2.709 178.404 175.800 -0.174 0.000 1.089 80 F CA 1.176 59.020 58.000 -0.262 0.000 1.343 80 F CB -1.307 37.581 39.000 -0.185 0.000 1.040 80 F HN -0.006 nan 8.300 nan 0.000 0.498 81 G N -0.372 108.433 108.800 0.008 0.000 2.440 81 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 81 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 81 G C 1.511 176.358 174.900 -0.089 0.000 1.154 81 G CA 1.272 46.330 45.100 -0.070 0.000 0.767 81 G HN 0.333 nan 8.290 nan 0.000 0.552 82 E N 0.303 120.447 120.200 -0.094 0.000 2.077 82 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 82 E C 2.446 178.983 176.600 -0.104 0.000 0.989 82 E CA 0.758 57.107 56.400 -0.085 0.000 0.800 82 E CB -0.414 29.247 29.700 -0.065 0.000 0.746 82 E HN 0.446 nan 8.360 nan 0.000 0.452 83 L N -0.210 120.893 121.223 -0.201 0.000 2.156 83 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 83 L C 2.226 179.069 176.870 -0.046 0.000 1.095 83 L CA 0.591 55.328 54.840 -0.172 0.000 0.770 83 L CB -0.118 41.729 42.059 -0.354 0.000 0.914 83 L HN 0.229 nan 8.230 nan 0.000 0.439 84 L N -0.694 120.519 121.223 -0.017 0.000 2.375 84 L HA 0.142 4.481 4.340 -0.000 0.000 0.215 84 L C 1.058 177.920 176.870 -0.014 0.000 1.108 84 L CA 0.540 55.394 54.840 0.023 0.000 0.830 84 L CB -0.436 41.666 42.059 0.072 0.000 0.959 84 L HN 0.456 nan 8.230 nan 0.000 0.457 85 G N 1.418 110.191 108.800 -0.045 0.000 2.368 85 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.290 85 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.290 85 G C -0.309 174.519 174.900 -0.120 0.000 1.098 85 G CA 0.447 45.510 45.100 -0.061 0.000 1.073 85 G HN 0.414 nan 8.290 nan 0.000 0.511 86 Q N -0.671 119.018 119.800 -0.186 0.000 2.391 86 Q HA 0.576 4.915 4.340 -0.000 0.000 0.279 86 Q C -0.983 174.793 176.000 -0.373 0.000 1.028 86 Q CA -0.788 54.799 55.803 -0.359 0.000 0.836 86 Q CB 1.232 29.629 28.738 -0.569 0.000 1.414 86 Q HN 0.115 nan 8.270 nan 0.000 0.397 87 E N 3.077 123.031 120.200 -0.410 0.000 2.223 87 E HA 0.340 4.690 4.350 -0.000 0.000 0.282 87 E C -0.628 175.760 176.600 -0.354 0.000 1.046 87 E CA -0.003 56.224 56.400 -0.289 0.000 0.857 87 E CB 0.618 30.196 29.700 -0.203 0.000 1.055 87 E HN 0.571 nan 8.360 nan 0.000 0.409 88 I N 2.891 123.331 120.570 -0.215 0.000 2.382 88 I HA 0.082 4.252 4.170 -0.000 0.000 0.285 88 I C -0.036 176.060 176.117 -0.035 0.000 1.007 88 I CA -0.868 60.358 61.300 -0.124 0.000 1.142 88 I CB 1.416 39.375 38.000 -0.068 0.000 1.289 88 I HN 0.233 nan 8.210 nan 0.000 0.453 89 D N 9.177 129.579 120.400 0.004 0.000 2.339 89 D HA 0.176 4.816 4.640 -0.000 0.000 0.256 89 D C -1.571 174.745 176.300 0.027 0.000 1.214 89 D CA -1.793 52.215 54.000 0.013 0.000 0.877 89 D CB 1.393 42.206 40.800 0.022 0.000 1.111 89 D HN 0.188 nan 8.370 nan 0.000 0.478 90 P HA -0.143 nan 4.420 nan 0.000 0.219 90 P C 0.999 178.316 177.300 0.028 0.000 1.146 90 P CA 0.436 63.546 63.100 0.017 0.000 0.808 90 P CB 0.238 31.940 31.700 0.003 0.000 0.779 91 L N -1.803 119.436 121.223 0.027 0.000 2.585 91 L HA 0.187 4.527 4.340 -0.000 0.000 0.226 91 L C 1.767 178.634 176.870 -0.004 0.000 1.113 91 L CA 1.169 56.033 54.840 0.040 0.000 0.876 91 L CB -0.495 41.594 42.059 0.050 0.000 1.072 91 L HN -0.208 nan 8.230 nan 0.000 0.468 92 R N -1.899 118.595 120.500 -0.010 0.000 2.517 92 R HA 0.264 4.603 4.340 -0.000 0.000 0.265 92 R C 0.616 176.902 176.300 -0.024 0.000 0.921 92 R CA 0.086 56.161 56.100 -0.041 0.000 1.054 92 R CB 0.481 30.778 30.300 -0.005 0.000 1.340 92 R HN 0.169 nan 8.270 nan 0.000 0.551 93 N N -0.113 118.609 118.700 0.036 0.000 2.159 93 N HA 0.134 4.874 4.740 -0.000 0.000 0.217 93 N C -0.830 174.723 175.510 0.071 0.000 1.223 93 N CA 0.320 53.437 53.050 0.112 0.000 0.896 93 N CB 2.200 40.887 38.487 0.334 0.000 1.064 93 N HN -0.149 nan 8.380 nan 0.000 0.518 94 V N 1.815 121.740 119.914 0.019 0.000 2.638 94 V HA 0.468 4.588 4.120 -0.000 0.000 0.306 94 V C -1.020 175.078 176.094 0.005 0.000 1.052 94 V CA -0.893 61.424 62.300 0.028 0.000 0.885 94 V CB 2.673 34.514 31.823 0.029 0.000 0.999 94 V HN -0.043 nan 8.190 nan 0.000 0.424 95 L N 5.657 126.895 121.223 0.024 0.000 2.376 95 L HA 0.707 5.047 4.340 -0.000 0.000 0.275 95 L C -0.587 176.347 176.870 0.108 0.000 0.987 95 L CA -0.163 54.677 54.840 0.001 0.000 0.828 95 L CB 2.011 44.008 42.059 -0.104 0.000 1.249 95 L HN 0.453 nan 8.230 nan 0.000 0.409 96 V N 4.083 124.071 119.914 0.124 0.000 2.530 96 V HA 0.583 4.703 4.120 -0.000 0.000 0.282 96 V C 0.589 176.804 176.094 0.201 0.000 1.048 96 V CA 0.216 62.655 62.300 0.232 0.000 0.997 96 V CB 1.042 33.016 31.823 0.251 0.000 0.987 96 V HN 0.951 nan 8.190 nan 0.000 0.477 97 T N 1.300 115.998 114.554 0.240 0.000 2.888 97 T HA 0.574 4.924 4.350 -0.000 0.000 0.288 97 T C -0.468 174.369 174.700 0.228 0.000 1.063 97 T CA -0.788 61.460 62.100 0.246 0.000 1.010 97 T CB 1.712 70.694 68.868 0.190 0.000 1.214 97 T HN 0.145 nan 8.240 nan 0.000 0.533 98 V N 2.281 122.328 119.914 0.222 0.000 2.223 98 V HA 0.551 4.671 4.120 -0.000 0.000 0.249 98 V C 1.370 177.563 176.094 0.165 0.000 1.233 98 V CA 0.778 63.188 62.300 0.182 0.000 1.131 98 V CB -1.059 30.857 31.823 0.155 0.000 1.298 98 V HN 1.479 nan 8.190 nan 0.000 0.498 99 G N 3.999 112.884 108.800 0.141 0.000 2.855 99 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.352 99 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.352 99 G C 0.879 175.805 174.900 0.044 0.000 1.415 99 G CA -0.180 44.976 45.100 0.093 0.000 0.871 99 G HN 0.969 nan 8.290 nan 0.000 0.543 100 G N -1.075 107.701 108.800 -0.041 0.000 2.440 100 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 100 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 100 G C 1.498 176.432 174.900 0.057 0.000 1.154 100 G CA 1.991 47.028 45.100 -0.105 0.000 0.767 100 G HN 0.732 nan 8.290 nan 0.000 0.552 101 Y N 1.145 121.511 120.300 0.111 0.000 2.069 101 Y HA -0.205 4.345 4.550 -0.000 0.000 0.278 101 Y C 3.118 179.146 175.900 0.214 0.000 1.175 101 Y CA 1.513 59.737 58.100 0.206 0.000 1.134 101 Y CB -0.469 38.086 38.460 0.158 0.000 0.965 101 Y HN 0.228 nan 8.280 nan 0.000 0.498 102 G N -0.963 108.039 108.800 0.337 0.000 2.440 102 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.218 102 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.218 102 G C 1.814 176.893 174.900 0.299 0.000 1.154 102 G CA 1.109 46.395 45.100 0.309 0.000 0.767 102 G HN 0.536 nan 8.290 nan 0.000 0.552 103 A N 0.591 123.519 122.820 0.178 0.000 1.855 103 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 103 A C 2.464 180.096 177.584 0.081 0.000 1.191 103 A CA 1.397 53.485 52.037 0.085 0.000 0.613 103 A CB -0.508 18.468 19.000 -0.040 0.000 0.829 103 A HN 0.338 nan 8.150 nan 0.000 0.442 104 L N -1.879 119.423 121.223 0.131 0.000 2.013 104 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 104 L C 2.489 179.584 176.870 0.376 0.000 1.073 104 L CA 1.991 56.946 54.840 0.191 0.000 0.753 104 L CB -0.670 41.628 42.059 0.398 0.000 0.890 104 L HN 0.516 nan 8.230 nan 0.000 0.432 105 F N 0.639 120.775 119.950 0.310 0.000 2.126 105 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 105 F C 2.440 178.373 175.800 0.220 0.000 1.096 105 F CA 2.140 60.322 58.000 0.304 0.000 1.255 105 F CB -0.581 38.557 39.000 0.231 0.000 0.997 105 F HN -0.031 nan 8.300 nan 0.000 0.479 106 T N 0.694 115.304 114.554 0.093 0.000 2.777 106 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 106 T C 2.262 176.887 174.700 -0.124 0.000 1.040 106 T CA 1.370 63.446 62.100 -0.040 0.000 1.141 106 T CB -0.904 68.025 68.868 0.101 0.000 0.868 106 T HN 0.371 nan 8.240 nan 0.000 0.444 107 A N 1.163 123.907 122.820 -0.126 0.000 1.865 107 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 107 A C 1.990 179.406 177.584 -0.280 0.000 1.191 107 A CA 1.442 53.328 52.037 -0.252 0.000 0.623 107 A CB -1.088 17.681 19.000 -0.385 0.000 0.826 107 A HN 0.439 nan 8.150 nan 0.000 0.444 108 F N 0.069 119.917 119.950 -0.169 0.000 2.134 108 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 108 F C 2.723 178.384 175.800 -0.231 0.000 1.097 108 F CA 1.649 59.542 58.000 -0.177 0.000 1.264 108 F CB -0.266 38.659 39.000 -0.124 0.000 1.001 108 F HN 0.213 nan 8.300 nan 0.000 0.479 109 Q N -0.287 119.407 119.800 -0.176 0.000 2.369 109 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 109 Q C 2.368 178.274 176.000 -0.156 0.000 0.963 109 Q CA 0.993 56.646 55.803 -0.250 0.000 0.894 109 Q CB -0.475 27.957 28.738 -0.510 0.000 0.965 109 Q HN 0.445 nan 8.270 nan 0.000 0.475 110 A N 0.382 123.116 122.820 -0.143 0.000 1.874 110 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 110 A C 1.987 179.481 177.584 -0.150 0.000 1.189 110 A CA 0.838 52.806 52.037 -0.116 0.000 0.615 110 A CB -0.236 18.709 19.000 -0.092 0.000 0.830 110 A HN 0.291 nan 8.150 nan 0.000 0.443 111 L N -0.898 120.238 121.223 -0.146 0.000 2.425 111 L HA 0.174 4.514 4.340 -0.000 0.000 0.215 111 L C -0.146 176.659 176.870 -0.108 0.000 1.065 111 L CA -0.005 54.743 54.840 -0.154 0.000 0.842 111 L CB 0.141 42.095 42.059 -0.175 0.000 1.033 111 L HN 0.040 nan 8.230 nan 0.000 0.474 112 V N 0.626 120.506 119.914 -0.057 0.000 2.481 112 V HA 0.403 4.523 4.120 -0.000 0.000 0.286 112 V C -0.875 175.198 176.094 -0.036 0.000 1.042 112 V CA -0.386 61.900 62.300 -0.023 0.000 0.928 112 V CB 1.790 33.651 31.823 0.064 0.000 0.986 112 V HN 0.066 nan 8.190 nan 0.000 0.462 113 D N 1.718 122.092 120.400 -0.043 0.000 2.602 113 D HA 0.270 4.910 4.640 -0.000 0.000 0.236 113 D C -0.540 175.738 176.300 -0.037 0.000 1.209 113 D CA -0.736 53.238 54.000 -0.043 0.000 0.831 113 D CB 2.134 42.902 40.800 -0.053 0.000 1.478 113 D HN 0.550 nan 8.370 nan 0.000 0.438 114 E N 0.515 120.697 120.200 -0.030 0.000 3.072 114 E HA 0.267 4.617 4.350 -0.000 0.000 0.241 114 E C 0.996 177.579 176.600 -0.029 0.000 0.962 114 E CA 1.999 58.384 56.400 -0.026 0.000 0.955 114 E CB -0.591 29.098 29.700 -0.018 0.000 0.899 114 E HN 0.680 nan 8.360 nan 0.000 0.547 115 G N 4.280 113.061 108.800 -0.033 0.000 2.313 115 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.215 115 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.215 115 G C -0.216 174.655 174.900 -0.047 0.000 1.023 115 G CA -0.132 44.947 45.100 -0.035 0.000 0.626 115 G HN 0.613 nan 8.290 nan 0.000 0.503 116 D N 2.254 122.623 120.400 -0.052 0.000 2.488 116 D HA 0.401 5.041 4.640 -0.000 0.000 0.238 116 D C 0.633 176.881 176.300 -0.086 0.000 1.138 116 D CA 0.667 54.628 54.000 -0.065 0.000 0.873 116 D CB 0.671 41.433 40.800 -0.063 0.000 1.183 116 D HN 0.609 nan 8.370 nan 0.000 0.458 117 E N 0.271 120.404 120.200 -0.112 0.000 2.204 117 E HA 0.462 4.812 4.350 -0.000 0.000 0.276 117 E C -0.711 175.777 176.600 -0.187 0.000 0.974 117 E CA -0.882 55.425 56.400 -0.155 0.000 0.815 117 E CB 1.922 31.518 29.700 -0.172 0.000 1.119 117 E HN 0.072 nan 8.360 nan 0.000 0.393 118 V N 3.995 123.778 119.914 -0.219 0.000 2.448 118 V HA 0.314 4.434 4.120 -0.000 0.000 0.295 118 V C -0.132 175.757 176.094 -0.341 0.000 1.025 118 V CA -0.677 61.485 62.300 -0.230 0.000 0.859 118 V CB 1.352 33.101 31.823 -0.124 0.000 0.988 118 V HN 0.590 nan 8.190 nan 0.000 0.431 119 I N 5.929 126.285 120.570 -0.357 0.000 2.337 119 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 119 I C -0.322 175.609 176.117 -0.311 0.000 1.046 119 I CA 0.180 61.255 61.300 -0.375 0.000 1.324 119 I CB 0.650 38.391 38.000 -0.430 0.000 1.409 119 I HN 0.417 nan 8.210 nan 0.000 0.494 120 I N 7.510 127.860 120.570 -0.366 0.000 2.378 120 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 120 I C -0.266 175.810 176.117 -0.068 0.000 0.992 120 I CA -0.618 60.511 61.300 -0.285 0.000 1.154 120 I CB 1.853 39.502 38.000 -0.586 0.000 1.315 120 I HN 0.397 nan 8.210 nan 0.000 0.448 121 I N 6.131 126.748 120.570 0.078 0.000 2.315 121 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 121 I C 0.196 176.477 176.117 0.274 0.000 1.006 121 I CA -0.254 61.158 61.300 0.187 0.000 1.265 121 I CB 0.692 38.816 38.000 0.208 0.000 1.387 121 I HN 0.539 nan 8.210 nan 0.000 0.475 122 E N 8.119 128.469 120.200 0.251 0.000 2.313 122 E HA 0.287 4.636 4.350 -0.000 0.000 0.272 122 E C -2.278 174.285 176.600 -0.063 0.000 1.038 122 E CA -1.832 54.600 56.400 0.053 0.000 0.863 122 E CB 0.700 30.357 29.700 -0.071 0.000 1.060 122 E HN 0.306 nan 8.360 nan 0.000 0.402 123 P HA 0.019 nan 4.420 nan 0.000 0.276 123 P C -1.041 176.161 177.300 -0.163 0.000 1.230 123 P CA 0.023 62.769 63.100 -0.590 0.000 0.776 123 P CB 0.146 31.502 31.700 -0.574 0.000 0.888 124 F N 1.163 121.023 119.950 -0.151 0.000 2.469 124 F HA 0.531 5.058 4.527 -0.000 0.000 0.332 124 F C 0.048 175.886 175.800 0.062 0.000 1.103 124 F CA -1.945 56.080 58.000 0.041 0.000 0.979 124 F CB 0.424 39.546 39.000 0.203 0.000 1.137 124 F HN 0.099 nan 8.300 nan 0.000 0.463 125 F N 5.101 124.979 119.950 -0.119 0.000 2.537 125 F HA -0.096 4.431 4.527 -0.000 0.000 0.402 125 F C 1.577 177.256 175.800 -0.202 0.000 1.005 125 F CA -0.236 57.630 58.000 -0.224 0.000 1.203 125 F CB 0.262 38.962 39.000 -0.500 0.000 0.955 125 F HN 0.739 nan 8.300 nan 0.000 0.547 126 D N 3.877 123.948 120.400 -0.548 0.000 2.219 126 D HA -0.207 4.433 4.640 -0.000 0.000 0.205 126 D C 2.128 178.294 176.300 -0.224 0.000 0.970 126 D CA 1.416 55.172 54.000 -0.406 0.000 0.851 126 D CB -1.345 39.125 40.800 -0.550 0.000 0.943 126 D HN 0.614 nan 8.370 nan 0.000 0.488 127 C N -0.518 118.443 119.300 -0.565 0.000 2.522 127 C HA 0.102 4.562 4.460 -0.000 0.000 0.271 127 C C 2.295 177.283 174.990 -0.002 0.000 1.425 127 C CA -0.584 58.307 59.018 -0.211 0.000 1.751 127 C CB -1.710 25.909 27.740 -0.202 0.000 1.775 127 C HN 0.058 nan 8.230 nan 0.000 0.557 128 Y N 2.409 122.754 120.300 0.076 0.000 2.181 128 Y HA -0.083 4.466 4.550 -0.000 0.000 0.288 128 Y C 2.620 178.387 175.900 -0.221 0.000 1.146 128 Y CA 1.758 59.848 58.100 -0.017 0.000 1.164 128 Y CB -1.113 37.401 38.460 0.091 0.000 0.982 128 Y HN 0.575 nan 8.280 nan 0.000 0.515 129 E N 0.389 120.626 120.200 0.063 0.000 2.047 129 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 129 E C -0.762 175.813 176.600 -0.041 0.000 0.987 129 E CA 1.306 57.697 56.400 -0.015 0.000 0.799 129 E CB -0.876 28.927 29.700 0.172 0.000 0.752 129 E HN 0.221 nan 8.360 nan 0.000 0.449 130 P HA -0.134 nan 4.420 nan 0.000 0.216 130 P C 1.398 178.650 177.300 -0.081 0.000 1.150 130 P CA 1.557 64.650 63.100 -0.012 0.000 0.837 130 P CB -0.072 31.644 31.700 0.026 0.000 0.786 131 M N -1.703 117.786 119.600 -0.186 0.000 2.132 131 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 131 M C 1.950 177.965 176.300 -0.474 0.000 1.065 131 M CA 1.820 56.933 55.300 -0.312 0.000 1.122 131 M CB -1.198 31.079 32.600 -0.539 0.000 1.365 131 M HN -0.061 nan 8.290 nan 0.000 0.411 132 T N 0.527 114.721 114.554 -0.599 0.000 2.746 132 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 132 T C 1.722 176.323 174.700 -0.166 0.000 1.039 132 T CA 1.373 63.254 62.100 -0.365 0.000 1.142 132 T CB -0.147 68.547 68.868 -0.290 0.000 0.866 132 T HN 0.356 nan 8.240 nan 0.000 0.444 133 M N 0.055 119.581 119.600 -0.124 0.000 2.200 133 M HA 0.097 4.577 4.480 -0.000 0.000 0.265 133 M C 2.373 178.655 176.300 -0.030 0.000 1.066 133 M CA 1.245 56.512 55.300 -0.055 0.000 1.127 133 M CB -0.273 32.315 32.600 -0.021 0.000 1.379 133 M HN 0.201 nan 8.290 nan 0.000 0.420 134 M N -0.446 119.140 119.600 -0.023 0.000 2.374 134 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 134 M C 1.563 177.873 176.300 0.017 0.000 1.067 134 M CA 1.280 56.593 55.300 0.022 0.000 1.103 134 M CB 0.043 32.689 32.600 0.077 0.000 1.402 134 M HN 0.248 nan 8.290 nan 0.000 0.444 135 A N -0.916 121.895 122.820 -0.016 0.000 2.307 135 A HA 0.418 4.738 4.320 -0.000 0.000 0.218 135 A C 1.470 179.042 177.584 -0.020 0.000 1.228 135 A CA 0.613 52.641 52.037 -0.016 0.000 0.857 135 A CB -0.535 18.456 19.000 -0.014 0.000 0.897 135 A HN 0.690 nan 8.150 nan 0.000 0.495 136 G N -1.722 107.065 108.800 -0.022 0.000 2.195 136 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.246 136 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.246 136 G C 0.812 175.692 174.900 -0.034 0.000 0.984 136 G CA 0.231 45.317 45.100 -0.023 0.000 0.633 136 G HN 1.373 nan 8.290 nan 0.000 0.525 137 G N -0.532 108.241 108.800 -0.046 0.000 2.616 137 G HA2 0.543 4.503 3.960 -0.000 0.000 0.268 137 G HA3 0.543 4.503 3.960 -0.000 0.000 0.268 137 G C -0.069 174.785 174.900 -0.076 0.000 1.213 137 G CA -0.603 44.461 45.100 -0.061 0.000 0.926 137 G HN 0.390 nan 8.290 nan 0.000 0.523 138 R N 0.986 121.428 120.500 -0.097 0.000 2.288 138 R HA 0.267 4.607 4.340 -0.000 0.000 0.326 138 R C -2.597 173.586 176.300 -0.195 0.000 0.959 138 R CA -1.482 54.551 56.100 -0.111 0.000 0.834 138 R CB 2.036 32.284 30.300 -0.087 0.000 1.157 138 R HN 0.310 nan 8.270 nan 0.000 0.470 139 P HA 0.062 nan 4.420 nan 0.000 0.271 139 P C -0.666 176.266 177.300 -0.614 0.000 1.216 139 P CA -0.183 62.596 63.100 -0.535 0.000 0.771 139 P CB 0.855 32.184 31.700 -0.618 0.000 0.864 140 V N 4.621 124.110 119.914 -0.707 0.000 2.483 140 V HA 0.393 4.513 4.120 -0.000 0.000 0.297 140 V C -0.394 175.341 176.094 -0.598 0.000 1.027 140 V CA -0.367 61.647 62.300 -0.477 0.000 0.855 140 V CB 0.754 32.399 31.823 -0.295 0.000 0.995 140 V HN 0.336 nan 8.190 nan 0.000 0.424 141 F N 3.785 123.674 119.950 -0.101 0.000 2.422 141 F HA 0.738 5.265 4.527 -0.000 0.000 0.333 141 F C 0.160 175.983 175.800 0.039 0.000 1.095 141 F CA -0.851 57.111 58.000 -0.064 0.000 1.038 141 F CB 1.876 40.827 39.000 -0.081 0.000 1.156 141 F HN 0.306 nan 8.300 nan 0.000 0.483 142 V N 1.931 121.986 119.914 0.236 0.000 2.709 142 V HA 0.585 4.705 4.120 -0.000 0.000 0.308 142 V C -0.817 175.444 176.094 0.279 0.000 1.062 142 V CA -0.366 62.077 62.300 0.238 0.000 0.901 142 V CB 2.158 34.078 31.823 0.160 0.000 1.003 142 V HN 0.761 nan 8.190 nan 0.000 0.425 143 S N 6.745 122.623 115.700 0.298 0.000 2.457 143 S HA 0.586 5.055 4.470 -0.000 0.000 0.289 143 S C -0.291 174.471 174.600 0.270 0.000 1.163 143 S CA -0.432 57.945 58.200 0.296 0.000 1.078 143 S CB 1.119 64.528 63.200 0.348 0.000 0.987 143 S HN 0.684 nan 8.310 nan 0.000 0.482 144 L N 3.223 124.621 121.223 0.292 0.000 2.456 144 L HA 0.259 4.599 4.340 -0.000 0.000 0.272 144 L C 0.207 177.287 176.870 0.350 0.000 1.189 144 L CA 0.292 55.337 54.840 0.341 0.000 0.846 144 L CB 0.416 42.732 42.059 0.429 0.000 1.111 144 L HN 0.509 nan 8.230 nan 0.000 0.475 145 K N 4.591 125.086 120.400 0.159 0.000 2.579 145 K HA 0.352 4.672 4.320 -0.000 0.000 0.250 145 K C -2.491 173.904 176.600 -0.340 0.000 0.952 145 K CA -1.524 54.734 56.287 -0.048 0.000 0.857 145 K CB 1.897 34.427 32.500 0.051 0.000 1.123 145 K HN 0.180 nan 8.250 nan 0.000 0.433 146 P HA 0.040 nan 4.420 nan 0.000 0.271 146 P C -0.031 177.060 177.300 -0.349 0.000 1.226 146 P CA -0.172 62.360 63.100 -0.946 0.000 0.765 146 P CB 0.981 31.964 31.700 -1.196 0.000 0.835 147 G N 4.706 113.393 108.800 -0.188 0.000 2.503 147 G HA2 0.374 4.334 3.960 -0.000 0.000 0.257 147 G HA3 0.374 4.334 3.960 -0.000 0.000 0.257 147 G C -1.859 173.010 174.900 -0.052 0.000 1.214 147 G CA -0.778 44.273 45.100 -0.083 0.000 0.839 147 G HN 0.381 nan 8.290 nan 0.000 0.559 153 E N 0.187 120.405 120.200 0.030 0.000 2.057 153 E HA 0.134 4.484 4.350 -0.000 0.000 0.190 153 E C 0.798 177.434 176.600 0.059 0.000 0.969 153 E CA -0.120 56.302 56.400 0.036 0.000 0.812 153 E CB 0.025 29.740 29.700 0.025 0.000 0.777 153 E HN 0.444 nan 8.360 nan 0.000 0.455 154 L N 2.262 123.519 121.223 0.056 0.000 2.628 154 L HA -0.022 4.318 4.340 -0.000 0.000 0.274 154 L C 0.823 177.749 176.870 0.092 0.000 1.209 154 L CA 0.079 54.961 54.840 0.071 0.000 0.930 154 L CB 0.240 42.328 42.059 0.049 0.000 1.183 154 L HN 0.175 nan 8.230 nan 0.000 0.492 155 G N 2.476 111.355 108.800 0.132 0.000 2.522 155 G HA2 0.433 4.393 3.960 -0.000 0.000 0.304 155 G HA3 0.433 4.393 3.960 -0.000 0.000 0.304 155 G C -0.758 174.237 174.900 0.159 0.000 1.210 155 G CA -0.304 44.897 45.100 0.169 0.000 0.960 155 G HN 0.536 nan 8.290 nan 0.000 0.497 156 S N -1.087 114.725 115.700 0.185 0.000 2.538 156 S HA 0.443 4.913 4.470 -0.000 0.000 0.288 156 S C 1.143 175.851 174.600 0.179 0.000 1.108 156 S CA -0.214 58.072 58.200 0.142 0.000 0.971 156 S CB 1.894 65.161 63.200 0.112 0.000 1.041 156 S HN 0.423 nan 8.310 nan 0.000 0.483 157 S N 2.437 118.164 115.700 0.045 0.000 2.370 157 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 157 S C 2.052 176.661 174.600 0.015 0.000 1.033 157 S CA 2.017 60.167 58.200 -0.082 0.000 1.011 157 S CB -0.507 62.601 63.200 -0.153 0.000 0.852 157 S HN 0.983 nan 8.310 nan 0.000 0.457 158 S N 1.531 117.229 115.700 -0.004 0.000 2.507 158 S HA 0.012 4.482 4.470 -0.000 0.000 0.235 158 S C 1.327 175.969 174.600 0.069 0.000 0.988 158 S CA 0.716 58.904 58.200 -0.019 0.000 0.944 158 S CB -0.368 62.796 63.200 -0.061 0.000 0.762 158 S HN 0.391 nan 8.310 nan 0.000 0.526 159 N N 0.422 119.225 118.700 0.170 0.000 2.416 159 N HA 0.094 4.834 4.740 -0.000 0.000 0.177 159 N C -0.519 175.089 175.510 0.163 0.000 1.036 159 N CA 0.250 53.389 53.050 0.149 0.000 0.901 159 N CB -0.348 38.219 38.487 0.132 0.000 0.976 159 N HN 0.510 nan 8.380 nan 0.000 0.444 160 W N 2.742 124.023 121.300 -0.032 0.000 2.397 160 W HA 0.161 4.821 4.660 -0.000 0.000 0.327 160 W C 0.431 176.918 176.519 -0.053 0.000 1.421 160 W CA -0.024 57.310 57.345 -0.019 0.000 1.288 160 W CB 0.269 29.709 29.460 -0.033 0.000 1.312 160 W HN -0.129 nan 8.180 nan 0.000 0.559 161 Q N 3.318 123.181 119.800 0.106 0.000 2.312 161 Q HA 0.300 4.640 4.340 -0.000 0.000 0.263 161 Q C -0.944 175.096 176.000 0.066 0.000 0.995 161 Q CA -1.436 54.394 55.803 0.045 0.000 0.853 161 Q CB 2.594 31.341 28.738 0.016 0.000 1.300 161 Q HN 0.272 nan 8.270 nan 0.000 0.448 162 L N 3.204 124.448 121.223 0.036 0.000 2.334 162 L HA 0.162 4.501 4.340 -0.000 0.000 0.286 162 L C -0.360 176.556 176.870 0.077 0.000 1.108 162 L CA -0.101 54.788 54.840 0.082 0.000 0.875 162 L CB 0.001 42.112 42.059 0.085 0.000 1.246 162 L HN 0.525 nan 8.230 nan 0.000 0.439 163 D N 6.178 126.630 120.400 0.086 0.000 2.382 163 D HA 0.091 4.731 4.640 -0.000 0.000 0.259 163 D C -1.541 174.806 176.300 0.077 0.000 1.224 163 D CA -0.873 53.169 54.000 0.071 0.000 0.894 163 D CB 1.276 42.118 40.800 0.071 0.000 1.127 163 D HN 0.398 nan 8.370 nan 0.000 0.487 164 P HA -0.170 nan 4.420 nan 0.000 0.216 164 P C 1.366 178.705 177.300 0.066 0.000 1.150 164 P CA 0.957 64.095 63.100 0.062 0.000 0.837 164 P CB 0.077 31.802 31.700 0.043 0.000 0.786 165 M N -0.834 118.802 119.600 0.060 0.000 2.156 165 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 165 M C 2.064 178.411 176.300 0.079 0.000 1.067 165 M CA 1.758 57.095 55.300 0.061 0.000 1.131 165 M CB -0.315 32.314 32.600 0.048 0.000 1.368 165 M HN -0.165 nan 8.290 nan 0.000 0.416 166 E N 0.140 120.391 120.200 0.084 0.000 2.058 166 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 166 E C 1.825 178.499 176.600 0.123 0.000 0.997 166 E CA 1.678 58.138 56.400 0.100 0.000 0.801 166 E CB -0.194 29.570 29.700 0.106 0.000 0.746 166 E HN 0.424 nan 8.360 nan 0.000 0.450 167 L N 0.366 121.673 121.223 0.140 0.000 2.056 167 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 167 L C 2.135 179.164 176.870 0.265 0.000 1.078 167 L CA 2.047 57.002 54.840 0.191 0.000 0.749 167 L CB -0.584 41.592 42.059 0.196 0.000 0.901 167 L HN 0.089 nan 8.230 nan 0.000 0.433 168 A N -0.297 122.630 122.820 0.178 0.000 1.940 168 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 168 A C 2.310 180.008 177.584 0.189 0.000 1.176 168 A CA 1.588 53.714 52.037 0.149 0.000 0.631 168 A CB -1.662 17.386 19.000 0.079 0.000 0.814 168 A HN 0.554 nan 8.150 nan 0.000 0.446 169 G N -0.667 108.220 108.800 0.145 0.000 2.471 169 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.219 169 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.219 169 G C 1.449 176.405 174.900 0.093 0.000 1.125 169 G CA 0.871 46.037 45.100 0.111 0.000 0.775 169 G HN 0.408 nan 8.290 nan 0.000 0.548 170 K N -0.015 120.444 120.400 0.098 0.000 2.366 170 K HA 0.094 4.414 4.320 -0.000 0.000 0.198 170 K C 0.095 176.611 176.600 -0.141 0.000 1.044 170 K CA -0.167 56.100 56.287 -0.033 0.000 0.973 170 K CB -0.216 32.225 32.500 -0.099 0.000 0.767 170 K HN 0.355 nan 8.250 nan 0.000 0.475 171 F N 1.713 121.550 119.950 -0.188 0.000 2.467 171 F HA 0.046 4.573 4.527 -0.000 0.000 0.362 171 F C 1.331 176.966 175.800 -0.275 0.000 1.090 171 F CA 0.028 57.811 58.000 -0.362 0.000 1.202 171 F CB 0.804 39.323 39.000 -0.801 0.000 1.113 171 F HN -0.106 nan 8.300 nan 0.000 0.541 172 T N -1.542 112.970 114.554 -0.071 0.000 2.831 172 T HA 0.279 4.629 4.350 -0.000 0.000 0.287 172 T C 0.913 175.638 174.700 0.041 0.000 1.070 172 T CA -0.134 61.968 62.100 0.002 0.000 1.010 172 T CB 1.273 70.128 68.868 -0.021 0.000 1.264 172 T HN 0.424 nan 8.240 nan 0.000 0.532 173 S N -0.286 115.449 115.700 0.058 0.000 2.507 173 S HA 0.003 4.473 4.470 -0.000 0.000 0.235 173 S C 1.631 176.245 174.600 0.023 0.000 0.988 173 S CA 0.301 58.539 58.200 0.063 0.000 0.944 173 S CB -0.471 62.759 63.200 0.051 0.000 0.762 173 S HN 0.706 nan 8.310 nan 0.000 0.526 174 R N 1.033 121.526 120.500 -0.011 0.000 2.334 174 R HA 0.243 4.583 4.340 -0.000 0.000 0.216 174 R C -0.141 176.119 176.300 -0.067 0.000 0.905 174 R CA 0.151 56.230 56.100 -0.036 0.000 1.064 174 R CB 0.059 30.334 30.300 -0.042 0.000 1.046 174 R HN 0.259 nan 8.270 nan 0.000 0.508 175 T N 0.838 115.343 114.554 -0.082 0.000 2.784 175 T HA 0.006 4.356 4.350 -0.000 0.000 0.291 175 T C 0.971 175.615 174.700 -0.094 0.000 0.942 175 T CA 0.297 62.308 62.100 -0.148 0.000 1.161 175 T CB 1.123 69.853 68.868 -0.230 0.000 0.885 175 T HN 0.126 nan 8.240 nan 0.000 0.534 176 K N 2.566 122.901 120.400 -0.110 0.000 2.128 176 K HA 0.394 4.714 4.320 -0.000 0.000 0.202 176 K C 0.616 177.153 176.600 -0.105 0.000 1.050 176 K CA 0.409 56.643 56.287 -0.089 0.000 0.966 176 K CB 0.356 32.803 32.500 -0.088 0.000 0.759 176 K HN 0.688 nan 8.250 nan 0.000 0.454 177 A N 0.344 123.076 122.820 -0.146 0.000 2.587 177 A HA 0.591 4.911 4.320 -0.000 0.000 0.293 177 A C -1.946 175.513 177.584 -0.209 0.000 1.087 177 A CA -0.818 51.118 52.037 -0.169 0.000 0.692 177 A CB 1.210 20.086 19.000 -0.208 0.000 1.291 177 A HN 0.216 nan 8.150 nan 0.000 0.407 178 L N 1.377 122.483 121.223 -0.195 0.000 2.385 178 L HA 0.783 5.123 4.340 -0.000 0.000 0.273 178 L C -1.516 175.217 176.870 -0.227 0.000 0.990 178 L CA -0.805 53.909 54.840 -0.209 0.000 0.821 178 L CB 1.944 43.926 42.059 -0.127 0.000 1.279 178 L HN 0.473 nan 8.230 nan 0.000 0.412 179 V N 5.645 125.404 119.914 -0.259 0.000 2.383 179 V HA 0.360 4.480 4.120 -0.000 0.000 0.275 179 V C -0.230 175.694 176.094 -0.283 0.000 1.036 179 V CA -0.419 61.668 62.300 -0.355 0.000 0.889 179 V CB 1.262 32.753 31.823 -0.553 0.000 0.985 179 V HN 0.597 nan 8.190 nan 0.000 0.459 180 L N 5.523 126.575 121.223 -0.285 0.000 2.356 180 L HA 0.585 4.925 4.340 -0.000 0.000 0.277 180 L C -0.380 176.333 176.870 -0.263 0.000 0.996 180 L CA 0.025 54.687 54.840 -0.297 0.000 0.822 180 L CB 1.638 43.485 42.059 -0.354 0.000 1.256 180 L HN 0.710 nan 8.230 nan 0.000 0.413 181 N N 3.234 121.818 118.700 -0.194 0.000 2.524 181 N HA 0.421 5.161 4.740 -0.000 0.000 0.261 181 N C -1.565 173.895 175.510 -0.083 0.000 0.998 181 N CA -0.150 52.872 53.050 -0.045 0.000 0.915 181 N CB 1.237 39.839 38.487 0.191 0.000 1.187 181 N HN 0.721 nan 8.380 nan 0.000 0.507 182 T N 3.245 117.758 114.554 -0.069 0.000 3.032 182 T HA 0.430 4.780 4.350 -0.000 0.000 0.312 182 T C -2.927 171.864 174.700 0.151 0.000 1.078 182 T CA -1.325 60.788 62.100 0.022 0.000 1.028 182 T CB 1.597 70.413 68.868 -0.086 0.000 1.091 182 T HN 0.307 nan 8.240 nan 0.000 0.457 183 P HA 0.145 nan 4.420 nan 0.000 0.269 183 P C -0.431 176.920 177.300 0.084 0.000 1.209 183 P CA -0.400 62.765 63.100 0.109 0.000 0.776 183 P CB 0.423 32.143 31.700 0.034 0.000 0.876 184 N N 2.827 121.565 118.700 0.062 0.000 2.520 184 N HA 0.019 4.759 4.740 -0.000 0.000 0.273 184 N C -0.616 174.837 175.510 -0.095 0.000 1.155 184 N CA 0.123 53.186 53.050 0.022 0.000 0.967 184 N CB 0.037 38.546 38.487 0.037 0.000 1.092 184 N HN 0.305 nan 8.380 nan 0.000 0.457 185 N N 4.006 122.641 118.700 -0.108 0.000 2.407 185 N HA 0.392 5.132 4.740 -0.000 0.000 0.277 185 N C -2.233 173.011 175.510 -0.443 0.000 0.995 185 N CA -2.030 50.867 53.050 -0.254 0.000 0.903 185 N CB 1.916 40.348 38.487 -0.091 0.000 1.218 185 N HN 0.339 nan 8.380 nan 0.000 0.487 186 P HA 0.042 nan 4.420 nan 0.000 0.252 186 P C 1.191 178.216 177.300 -0.459 0.000 1.218 186 P CA -0.027 62.577 63.100 -0.827 0.000 0.807 186 P CB 0.586 31.544 31.700 -1.236 0.000 1.072 187 L N 0.627 121.587 121.223 -0.438 0.000 2.156 187 L HA 0.237 4.577 4.340 -0.000 0.000 0.208 187 L C 1.596 178.291 176.870 -0.291 0.000 1.095 187 L CA 2.297 56.853 54.840 -0.474 0.000 0.770 187 L CB -1.411 40.253 42.059 -0.660 0.000 0.914 187 L HN 0.274 nan 8.230 nan 0.000 0.439 188 G N -0.497 108.198 108.800 -0.176 0.000 2.157 188 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.248 188 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.248 188 G C 0.560 175.406 174.900 -0.090 0.000 0.979 188 G CA 0.391 45.444 45.100 -0.078 0.000 0.650 188 G HN 0.502 nan 8.290 nan 0.000 0.529 189 K N 0.766 121.092 120.400 -0.124 0.000 2.447 189 K HA 0.361 4.681 4.320 -0.000 0.000 0.281 189 K C 0.229 176.840 176.600 0.018 0.000 1.031 189 K CA -0.064 56.170 56.287 -0.089 0.000 1.019 189 K CB 0.437 32.880 32.500 -0.095 0.000 0.918 189 K HN 0.061 nan 8.250 nan 0.000 0.476 190 V N 6.505 126.396 119.914 -0.038 0.000 2.350 190 V HA 0.183 4.303 4.120 -0.000 0.000 0.276 190 V C -0.096 176.045 176.094 0.077 0.000 1.028 190 V CA -0.720 61.606 62.300 0.044 0.000 0.860 190 V CB 0.315 32.121 31.823 -0.027 0.000 0.990 190 V HN 0.562 nan 8.190 nan 0.000 0.453 191 F N 3.764 123.684 119.950 -0.049 0.000 2.572 191 F HA 0.214 4.741 4.527 -0.000 0.000 0.370 191 F C 1.349 177.127 175.800 -0.035 0.000 1.103 191 F CA 0.425 58.404 58.000 -0.035 0.000 1.286 191 F CB 0.929 39.907 39.000 -0.036 0.000 1.105 191 F HN 0.652 nan 8.300 nan 0.000 0.583 192 S N 4.216 119.949 115.700 0.055 0.000 2.634 192 S HA 0.277 4.747 4.470 -0.000 0.000 0.261 192 S C 1.389 176.032 174.600 0.071 0.000 1.271 192 S CA -0.575 57.655 58.200 0.050 0.000 0.985 192 S CB 1.022 64.230 63.200 0.013 0.000 0.968 192 S HN 0.777 nan 8.310 nan 0.000 0.568 193 R N 0.246 120.776 120.500 0.049 0.000 2.090 193 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 193 R C 2.262 178.590 176.300 0.046 0.000 1.110 193 R CA 1.548 57.673 56.100 0.041 0.000 0.973 193 R CB -0.489 29.828 30.300 0.029 0.000 0.869 193 R HN 0.921 nan 8.270 nan 0.000 0.440 194 E N 0.357 120.581 120.200 0.040 0.000 2.106 194 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 194 E C 1.575 178.205 176.600 0.050 0.000 0.984 194 E CA 1.303 57.725 56.400 0.036 0.000 0.806 194 E CB 0.120 29.835 29.700 0.026 0.000 0.750 194 E HN 0.434 nan 8.360 nan 0.000 0.458 195 E N 0.388 120.624 120.200 0.061 0.000 2.031 195 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 195 E C 2.201 178.919 176.600 0.196 0.000 0.994 195 E CA 1.232 57.694 56.400 0.104 0.000 0.800 195 E CB -0.065 29.661 29.700 0.043 0.000 0.752 195 E HN 0.291 nan 8.360 nan 0.000 0.447 196 L N 0.637 121.979 121.223 0.199 0.000 2.043 196 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 196 L C 2.441 179.358 176.870 0.079 0.000 1.075 196 L CA 1.429 56.350 54.840 0.136 0.000 0.752 196 L CB -0.310 41.792 42.059 0.072 0.000 0.891 196 L HN 0.208 nan 8.230 nan 0.000 0.432 197 E N -0.310 119.927 120.200 0.062 0.000 2.106 197 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 197 E C 2.007 178.627 176.600 0.034 0.000 0.984 197 E CA 0.835 57.257 56.400 0.037 0.000 0.806 197 E CB -0.028 29.689 29.700 0.029 0.000 0.750 197 E HN 0.265 nan 8.360 nan 0.000 0.458 198 L N 0.325 121.579 121.223 0.051 0.000 1.990 198 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 198 L C 2.110 179.007 176.870 0.045 0.000 1.072 198 L CA 1.691 56.559 54.840 0.047 0.000 0.755 198 L CB -0.675 41.427 42.059 0.071 0.000 0.889 198 L HN -0.010 nan 8.230 nan 0.000 0.432 199 V N 0.398 120.362 119.914 0.083 0.000 2.295 199 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 199 V C 2.876 178.994 176.094 0.039 0.000 1.049 199 V CA 1.726 64.077 62.300 0.086 0.000 1.024 199 V CB -1.600 30.280 31.823 0.095 0.000 0.648 199 V HN 0.656 nan 8.190 nan 0.000 0.447 200 A N 0.162 122.997 122.820 0.024 0.000 1.940 200 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 200 A C 2.591 180.168 177.584 -0.011 0.000 1.176 200 A CA 2.426 54.468 52.037 0.008 0.000 0.631 200 A CB -0.723 18.282 19.000 0.009 0.000 0.814 200 A HN 0.618 nan 8.150 nan 0.000 0.446 201 S N -0.571 115.117 115.700 -0.021 0.000 2.371 201 S HA -0.031 4.439 4.470 -0.000 0.000 0.224 201 S C 1.939 176.485 174.600 -0.091 0.000 1.029 201 S CA 1.249 59.423 58.200 -0.043 0.000 0.978 201 S CB -0.490 62.691 63.200 -0.033 0.000 0.833 201 S HN 0.431 nan 8.310 nan 0.000 0.466 202 L N 0.677 121.815 121.223 -0.141 0.000 2.156 202 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 202 L C 2.881 179.578 176.870 -0.288 0.000 1.095 202 L CA 0.798 55.450 54.840 -0.312 0.000 0.770 202 L CB -0.621 41.072 42.059 -0.611 0.000 0.914 202 L HN 0.454 nan 8.230 nan 0.000 0.439 203 C N -0.477 118.759 119.300 -0.107 0.000 2.432 203 C HA -0.194 4.266 4.460 -0.000 0.000 0.277 203 C C 2.882 177.889 174.990 0.028 0.000 1.249 203 C CA 0.864 59.913 59.018 0.052 0.000 1.725 203 C CB -0.594 27.189 27.740 0.071 0.000 2.028 203 C HN 0.525 nan 8.230 nan 0.000 0.477 204 Q N -0.129 119.663 119.800 -0.014 0.000 2.084 204 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 204 Q C 2.307 178.278 176.000 -0.047 0.000 0.978 204 Q CA 1.961 57.751 55.803 -0.021 0.000 0.844 204 Q CB -0.257 28.466 28.738 -0.026 0.000 0.898 204 Q HN 0.733 nan 8.270 nan 0.000 0.426 205 Q N -0.419 119.321 119.800 -0.099 0.000 2.050 205 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 205 Q C 1.314 177.180 176.000 -0.223 0.000 0.980 205 Q CA 1.322 57.008 55.803 -0.196 0.000 0.840 205 Q CB 0.100 28.653 28.738 -0.308 0.000 0.898 205 Q HN 0.551 nan 8.270 nan 0.000 0.424 206 H N -0.490 118.533 119.070 -0.077 0.000 2.551 206 H HA 0.060 4.616 4.556 -0.000 0.000 0.271 206 H C -0.334 175.023 175.328 0.048 0.000 0.984 206 H CA 0.662 56.716 56.048 0.010 0.000 1.164 206 H CB 0.513 30.339 29.762 0.107 0.000 1.437 206 H HN 0.363 nan 8.280 nan 0.000 0.550 207 D N 0.983 121.456 120.400 0.122 0.000 3.515 207 D HA -0.168 4.472 4.640 -0.000 0.000 0.247 207 D C -1.296 175.059 176.300 0.092 0.000 1.084 207 D CA 0.247 54.294 54.000 0.077 0.000 1.030 207 D CB -1.300 39.528 40.800 0.047 0.000 0.946 207 D HN 0.033 nan 8.370 nan 0.000 0.420 208 V N 2.849 122.818 119.914 0.092 0.000 2.851 208 V HA 0.438 4.558 4.120 -0.000 0.000 0.307 208 V C 0.376 176.482 176.094 0.021 0.000 1.129 208 V CA -0.991 61.358 62.300 0.082 0.000 0.932 208 V CB 2.333 34.283 31.823 0.212 0.000 1.024 208 V HN 0.232 nan 8.190 nan 0.000 0.426 209 V N 2.767 122.655 119.914 -0.043 0.000 2.583 209 V HA 0.174 4.294 4.120 -0.000 0.000 0.287 209 V C 0.379 176.400 176.094 -0.121 0.000 1.051 209 V CA -0.219 62.020 62.300 -0.101 0.000 1.010 209 V CB 1.354 33.085 31.823 -0.153 0.000 0.988 209 V HN 1.029 nan 8.190 nan 0.000 0.478 210 C N 7.661 126.880 119.300 -0.135 0.000 2.184 210 C HA 0.515 4.975 4.460 -0.000 0.000 0.328 210 C C 0.322 175.182 174.990 -0.217 0.000 1.081 210 C CA -0.923 58.004 59.018 -0.151 0.000 1.533 210 C CB -1.853 25.823 27.740 -0.107 0.000 1.905 210 C HN 0.754 nan 8.230 nan 0.000 0.439 211 I N 5.062 125.465 120.570 -0.278 0.000 2.581 211 I HA 0.136 4.306 4.170 -0.000 0.000 0.285 211 I C 1.004 176.938 176.117 -0.306 0.000 1.129 211 I CA 1.167 62.263 61.300 -0.341 0.000 1.397 211 I CB 0.695 38.397 38.000 -0.495 0.000 1.399 211 I HN 0.604 nan 8.210 nan 0.000 0.537 212 T N 4.601 119.001 114.554 -0.257 0.000 2.864 212 T HA 0.179 4.529 4.350 -0.000 0.000 0.299 212 T C -0.656 173.931 174.700 -0.188 0.000 1.011 212 T CA -0.850 61.117 62.100 -0.221 0.000 0.975 212 T CB 0.560 69.314 68.868 -0.190 0.000 0.962 212 T HN 0.500 nan 8.240 nan 0.000 0.448 213 D N 4.139 124.439 120.400 -0.168 0.000 2.411 213 D HA 0.183 4.823 4.640 -0.000 0.000 0.225 213 D C 0.463 176.696 176.300 -0.111 0.000 1.156 213 D CA -0.364 53.557 54.000 -0.132 0.000 0.874 213 D CB 0.846 41.627 40.800 -0.031 0.000 1.034 213 D HN 0.700 nan 8.370 nan 0.000 0.502 214 E N 2.879 122.996 120.200 -0.137 0.000 2.511 214 E HA 0.041 4.391 4.350 -0.000 0.000 0.214 214 E C 1.744 178.197 176.600 -0.244 0.000 1.062 214 E CA -0.091 56.248 56.400 -0.101 0.000 1.213 214 E CB 0.584 30.289 29.700 0.008 0.000 1.214 214 E HN 0.399 nan 8.360 nan 0.000 0.441 215 V N -2.103 117.604 119.914 -0.345 0.000 2.688 215 V HA -0.256 3.864 4.120 -0.000 0.000 0.256 215 V C 1.156 176.876 176.094 -0.623 0.000 1.084 215 V CA 1.353 63.331 62.300 -0.538 0.000 1.103 215 V CB -0.912 30.485 31.823 -0.711 0.000 0.688 215 V HN 0.276 nan 8.190 nan 0.000 0.480 216 Y N 0.301 120.437 120.300 -0.274 0.000 2.458 216 Y HA 0.256 4.806 4.550 -0.000 0.000 0.256 216 Y C 2.372 178.060 175.900 -0.354 0.000 1.159 216 Y CA 0.146 58.072 58.100 -0.289 0.000 1.261 216 Y CB -0.314 37.987 38.460 -0.265 0.000 1.119 216 Y HN 0.320 nan 8.280 nan 0.000 0.524 217 Q N 0.048 119.550 119.800 -0.497 0.000 2.208 217 Q HA -0.311 4.029 4.340 -0.000 0.000 0.219 217 Q C 0.987 176.445 176.000 -0.903 0.000 1.027 217 Q CA 3.256 58.376 55.803 -1.138 0.000 0.925 217 Q CB -0.438 27.495 28.738 -1.341 0.000 1.006 217 Q HN 0.657 nan 8.270 nan 0.000 0.415 218 W N -0.761 120.392 121.300 -0.244 0.000 2.658 218 W HA 0.143 4.803 4.660 -0.000 0.000 0.263 218 W C 0.369 176.858 176.519 -0.051 0.000 1.274 218 W CA -0.551 56.684 57.345 -0.184 0.000 1.343 218 W CB 0.328 29.580 29.460 -0.348 0.000 1.106 218 W HN 0.083 nan 8.180 nan 0.000 0.615 219 M N 2.404 122.064 119.600 0.100 0.000 2.725 219 M HA 0.229 4.709 4.480 -0.000 0.000 0.322 219 M C -0.327 175.731 176.300 -0.403 0.000 1.393 219 M CA -0.401 54.897 55.300 -0.003 0.000 1.452 219 M CB -1.380 31.313 32.600 0.155 0.000 1.242 219 M HN -0.214 nan 8.290 nan 0.000 0.487 220 V N 1.118 120.759 119.914 -0.455 0.000 2.876 220 V HA 0.758 4.878 4.120 -0.000 0.000 0.312 220 V C -1.280 174.561 176.094 -0.423 0.000 1.085 220 V CA -0.976 61.014 62.300 -0.517 0.000 0.945 220 V CB 2.077 33.827 31.823 -0.122 0.000 1.017 220 V HN 0.560 nan 8.190 nan 0.000 0.428 221 Y N 0.046 120.435 120.300 0.148 0.000 2.633 221 Y HA 0.662 5.212 4.550 -0.000 0.000 0.339 221 Y C 0.615 176.602 175.900 0.145 0.000 1.045 221 Y CA -1.173 56.997 58.100 0.116 0.000 1.098 221 Y CB 0.800 39.304 38.460 0.074 0.000 1.296 221 Y HN 0.763 nan 8.280 nan 0.000 0.494 222 D N -0.221 120.320 120.400 0.235 0.000 2.983 222 D HA -0.166 4.474 4.640 -0.000 0.000 0.225 222 D C 1.103 177.359 176.300 -0.074 0.000 1.174 222 D CA 1.763 55.810 54.000 0.079 0.000 0.831 222 D CB -1.385 39.494 40.800 0.130 0.000 1.104 222 D HN 1.162 nan 8.370 nan 0.000 0.421 223 G N 0.277 109.080 108.800 0.005 0.000 2.356 223 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.296 223 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.296 223 G C 0.192 175.014 174.900 -0.130 0.000 1.022 223 G CA 0.589 45.667 45.100 -0.036 0.000 0.961 223 G HN 0.665 nan 8.290 nan 0.000 0.510 224 H N -0.188 118.912 119.070 0.049 0.000 2.551 224 H HA 0.388 4.944 4.556 -0.000 0.000 0.358 224 H C 0.443 175.791 175.328 0.033 0.000 1.151 224 H CA 0.219 56.289 56.048 0.036 0.000 1.374 224 H CB 0.922 30.703 29.762 0.031 0.000 1.473 224 H HN 0.323 nan 8.280 nan 0.000 0.574 225 Q N 1.516 121.411 119.800 0.157 0.000 2.330 225 Q HA 0.095 4.435 4.340 -0.000 0.000 0.269 225 Q C -0.624 175.430 176.000 0.091 0.000 1.022 225 Q CA -0.780 55.085 55.803 0.103 0.000 0.796 225 Q CB 2.266 31.047 28.738 0.071 0.000 1.271 225 Q HN 0.596 nan 8.270 nan 0.000 0.450 226 H N 2.567 121.623 119.070 -0.023 0.000 2.975 226 H HA 0.241 4.796 4.556 -0.000 0.000 0.303 226 H C -0.812 174.485 175.328 -0.051 0.000 1.023 226 H CA 0.583 56.590 56.048 -0.069 0.000 1.473 226 H CB 0.096 29.746 29.762 -0.187 0.000 1.498 226 H HN 0.450 nan 8.280 nan 0.000 0.549 227 I N 3.997 124.270 120.570 -0.495 0.000 2.509 227 I HA 0.198 4.368 4.170 -0.000 0.000 0.293 227 I C -0.315 175.527 176.117 -0.457 0.000 1.020 227 I CA -0.651 60.451 61.300 -0.330 0.000 1.088 227 I CB 2.022 39.946 38.000 -0.126 0.000 1.267 227 I HN 0.546 nan 8.210 nan 0.000 0.430 228 S N 5.829 121.385 115.700 -0.240 0.000 2.438 228 S HA 0.351 4.821 4.470 -0.000 0.000 0.293 228 S C 1.270 175.824 174.600 -0.075 0.000 1.141 228 S CA -0.591 57.523 58.200 -0.143 0.000 1.080 228 S CB 1.425 64.627 63.200 0.003 0.000 0.978 228 S HN 0.598 nan 8.310 nan 0.000 0.479 229 I N 2.561 123.078 120.570 -0.088 0.000 2.300 229 I HA -0.315 3.855 4.170 -0.000 0.000 0.252 229 I C 2.297 178.412 176.117 -0.004 0.000 1.119 229 I CA 1.266 62.535 61.300 -0.051 0.000 1.384 229 I CB -0.279 37.674 38.000 -0.078 0.000 1.062 229 I HN 0.827 nan 8.210 nan 0.000 0.426 230 A N -0.128 122.703 122.820 0.019 0.000 2.125 230 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 230 A C 2.257 179.933 177.584 0.153 0.000 1.156 230 A CA 1.740 53.839 52.037 0.104 0.000 0.671 230 A CB -0.548 18.545 19.000 0.155 0.000 0.794 230 A HN 0.607 nan 8.150 nan 0.000 0.459 231 S N -1.524 114.226 115.700 0.083 0.000 2.575 231 S HA 0.318 4.788 4.470 -0.000 0.000 0.215 231 S C 0.296 174.921 174.600 0.042 0.000 0.966 231 S CA -0.392 57.844 58.200 0.061 0.000 0.911 231 S CB -0.400 62.819 63.200 0.033 0.000 0.780 231 S HN 0.140 nan 8.310 nan 0.000 0.514 232 L N 2.721 123.968 121.223 0.040 0.000 2.417 232 L HA 0.455 4.795 4.340 -0.000 0.000 0.268 232 L C -2.361 174.533 176.870 0.041 0.000 1.158 232 L CA -1.883 52.975 54.840 0.030 0.000 0.819 232 L CB -0.197 41.874 42.059 0.021 0.000 1.112 232 L HN 0.003 nan 8.230 nan 0.000 0.458 233 P HA 0.133 nan 4.420 nan 0.000 0.261 233 P C 0.636 177.960 177.300 0.039 0.000 1.183 233 P CA 1.067 64.185 63.100 0.031 0.000 0.761 233 P CB 0.469 32.180 31.700 0.018 0.000 0.785 234 G N 2.863 111.696 108.800 0.056 0.000 2.205 234 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.261 234 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.261 234 G C 0.975 175.921 174.900 0.076 0.000 0.980 234 G CA 0.189 45.325 45.100 0.060 0.000 0.632 234 G HN 0.369 nan 8.290 nan 0.000 0.533 235 M N -0.563 119.090 119.600 0.087 0.000 2.248 235 M HA 0.213 4.693 4.480 -0.000 0.000 0.265 235 M C 2.115 178.473 176.300 0.096 0.000 1.079 235 M CA 0.934 56.276 55.300 0.071 0.000 1.150 235 M CB -1.292 31.338 32.600 0.051 0.000 1.366 235 M HN 0.577 nan 8.290 nan 0.000 0.433 236 W N 2.543 123.837 121.300 -0.010 0.000 2.313 236 W HA -0.249 4.411 4.660 -0.000 0.000 0.293 236 W C 1.133 177.658 176.519 0.009 0.000 1.216 236 W CA 1.652 58.991 57.345 -0.010 0.000 1.223 236 W CB -0.157 29.299 29.460 -0.006 0.000 1.138 236 W HN 0.262 nan 8.180 nan 0.000 0.535 237 E N 0.384 120.637 120.200 0.089 0.000 2.409 237 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 237 E C 1.560 178.171 176.600 0.019 0.000 1.024 237 E CA 1.272 57.723 56.400 0.085 0.000 0.861 237 E CB -0.376 29.410 29.700 0.144 0.000 0.788 237 E HN 0.634 nan 8.360 nan 0.000 0.521 238 R N -0.714 119.739 120.500 -0.078 0.000 2.563 238 R HA 0.269 4.609 4.340 -0.000 0.000 0.443 238 R C -0.290 175.911 176.300 -0.164 0.000 0.956 238 R CA -0.190 55.852 56.100 -0.095 0.000 1.141 238 R CB 0.110 30.396 30.300 -0.023 0.000 1.553 238 R HN -0.223 nan 8.270 nan 0.000 0.577 239 T N 1.816 116.220 114.554 -0.250 0.000 2.841 239 T HA 0.490 4.840 4.350 -0.000 0.000 0.283 239 T C -0.676 173.806 174.700 -0.363 0.000 1.000 239 T CA -0.501 61.447 62.100 -0.254 0.000 0.977 239 T CB 2.120 70.886 68.868 -0.171 0.000 0.979 239 T HN 0.098 nan 8.240 nan 0.000 0.446 240 L N 2.951 123.991 121.223 -0.305 0.000 2.305 240 L HA 0.465 4.804 4.340 -0.000 0.000 0.284 240 L C 0.107 176.836 176.870 -0.236 0.000 1.013 240 L CA -0.718 53.940 54.840 -0.305 0.000 0.819 240 L CB 1.598 43.477 42.059 -0.299 0.000 1.227 240 L HN 0.597 nan 8.230 nan 0.000 0.417 241 T N 4.359 118.799 114.554 -0.189 0.000 2.767 241 T HA 0.589 4.939 4.350 -0.000 0.000 0.284 241 T C -0.079 174.535 174.700 -0.143 0.000 0.973 241 T CA -0.207 61.815 62.100 -0.129 0.000 0.996 241 T CB 1.166 70.008 68.868 -0.044 0.000 0.927 241 T HN 0.223 nan 8.240 nan 0.000 0.456 242 I N 2.284 122.735 120.570 -0.199 0.000 2.460 242 I HA 0.684 4.854 4.170 -0.000 0.000 0.298 242 I C 0.792 176.642 176.117 -0.445 0.000 0.989 242 I CA -0.230 60.885 61.300 -0.309 0.000 1.173 242 I CB 1.842 39.682 38.000 -0.265 0.000 1.338 242 I HN 0.742 nan 8.210 nan 0.000 0.456 243 G N 2.317 110.554 108.800 -0.938 0.000 2.733 243 G HA2 0.679 4.639 3.960 -0.000 0.000 0.288 243 G HA3 0.679 4.639 3.960 -0.000 0.000 0.288 243 G C -1.700 172.309 174.900 -1.484 0.000 1.373 243 G CA -0.508 43.956 45.100 -1.060 0.000 0.895 243 G HN 0.461 nan 8.290 nan 0.000 0.479 244 S N -1.484 113.623 115.700 -0.988 0.000 2.614 244 S HA 0.529 4.999 4.470 -0.000 0.000 0.275 244 S C 0.972 175.496 174.600 -0.127 0.000 1.161 244 S CA 0.418 58.253 58.200 -0.608 0.000 0.969 244 S CB 1.339 64.309 63.200 -0.384 0.000 1.059 244 S HN 1.480 nan 8.310 nan 0.000 0.482 245 A N 3.899 126.846 122.820 0.212 0.000 1.978 245 A HA 0.088 4.408 4.320 -0.000 0.000 0.220 245 A C 2.009 179.698 177.584 0.175 0.000 1.170 245 A CA 2.103 54.425 52.037 0.474 0.000 0.636 245 A CB -1.161 18.245 19.000 0.678 0.000 0.810 245 A HN 1.088 nan 8.150 nan 0.000 0.448 246 G N -0.142 108.701 108.800 0.072 0.000 2.408 246 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 246 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 246 G C 1.410 176.315 174.900 0.009 0.000 1.150 246 G CA 0.925 46.022 45.100 -0.005 0.000 0.776 246 G HN 0.497 nan 8.290 nan 0.000 0.542 247 K N 0.616 120.986 120.400 -0.049 0.000 2.426 247 K HA 0.114 4.434 4.320 -0.000 0.000 0.193 247 K C 2.097 178.741 176.600 0.073 0.000 1.028 247 K CA 0.465 56.736 56.287 -0.026 0.000 1.047 247 K CB -0.253 31.959 32.500 -0.480 0.000 0.821 247 K HN 0.189 nan 8.250 nan 0.000 0.513 248 T N 0.759 115.293 114.554 -0.032 0.000 2.770 248 T HA 0.034 4.384 4.350 -0.000 0.000 0.258 248 T C 0.761 175.229 174.700 -0.386 0.000 1.039 248 T CA 0.957 62.912 62.100 -0.243 0.000 1.143 248 T CB -0.117 68.419 68.868 -0.553 0.000 0.866 248 T HN 0.107 nan 8.240 nan 0.000 0.428 249 F N 1.673 121.599 119.950 -0.041 0.000 2.684 249 F HA 0.384 4.911 4.527 -0.000 0.000 0.298 249 F C 0.875 176.428 175.800 -0.413 0.000 1.120 249 F CA -0.799 56.993 58.000 -0.346 0.000 1.332 249 F CB -0.612 38.007 39.000 -0.635 0.000 0.986 249 F HN -0.089 nan 8.300 nan 0.000 0.524 250 S N 1.094 116.771 115.700 -0.039 0.000 3.447 250 S HA -0.124 4.346 4.470 -0.000 0.000 0.371 250 S C 0.427 174.913 174.600 -0.190 0.000 0.951 250 S CA 0.562 58.746 58.200 -0.026 0.000 1.269 250 S CB -1.499 61.678 63.200 -0.037 0.000 0.919 250 S HN 0.628 nan 8.310 nan 0.000 0.516 251 A N 0.240 122.881 122.820 -0.298 0.000 3.453 251 A HA 0.624 4.944 4.320 -0.000 0.000 0.262 251 A C 1.218 178.630 177.584 -0.285 0.000 1.026 251 A CA 0.189 51.906 52.037 -0.533 0.000 0.938 251 A CB -0.057 18.039 19.000 -1.508 0.000 1.246 251 A HN 0.739 nan 8.150 nan 0.000 0.546 252 T N -2.410 112.106 114.554 -0.063 0.000 2.778 252 T HA -0.143 4.206 4.350 -0.000 0.000 0.269 252 T C 1.833 176.554 174.700 0.035 0.000 1.050 252 T CA 2.003 64.114 62.100 0.018 0.000 1.137 252 T CB -0.359 68.538 68.868 0.049 0.000 0.860 252 T HN 0.799 nan 8.240 nan 0.000 0.468 253 G N -0.415 108.409 108.800 0.040 0.000 2.559 253 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 253 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 253 G C 1.001 176.091 174.900 0.316 0.000 1.126 253 G CA 0.089 45.262 45.100 0.121 0.000 0.778 253 G HN 0.521 nan 8.290 nan 0.000 0.543 254 W N 0.161 121.499 121.300 0.064 0.000 2.467 254 W HA 0.230 4.890 4.660 -0.000 0.000 0.275 254 W C 0.870 177.423 176.519 0.057 0.000 1.239 254 W CA -0.220 57.166 57.345 0.068 0.000 1.266 254 W CB 0.073 29.541 29.460 0.013 0.000 1.112 254 W HN 0.010 nan 8.180 nan 0.000 0.576 255 K N 0.192 120.756 120.400 0.273 0.000 3.490 255 K HA -0.169 4.151 4.320 -0.000 0.000 0.273 255 K C -0.807 175.911 176.600 0.198 0.000 0.916 255 K CA 0.514 56.910 56.287 0.182 0.000 0.718 255 K CB -1.945 30.633 32.500 0.130 0.000 1.477 255 K HN -0.019 nan 8.250 nan 0.000 0.452 256 V N 0.018 120.078 119.914 0.244 0.000 2.444 256 V HA 0.753 4.873 4.120 -0.000 0.000 0.294 256 V C 0.957 177.193 176.094 0.238 0.000 1.022 256 V CA -0.190 62.278 62.300 0.279 0.000 0.850 256 V CB 2.118 34.160 31.823 0.363 0.000 0.992 256 V HN 0.548 nan 8.190 nan 0.000 0.426 257 G N 3.358 112.262 108.800 0.173 0.000 2.798 257 G HA2 0.862 4.822 3.960 -0.000 0.000 0.286 257 G HA3 0.862 4.822 3.960 -0.000 0.000 0.286 257 G C -1.849 173.117 174.900 0.110 0.000 1.389 257 G CA -0.697 44.323 45.100 -0.135 0.000 0.894 257 G HN 0.922 nan 8.290 nan 0.000 0.488 258 W N -1.637 119.691 121.300 0.046 0.000 3.146 258 W HA 0.680 5.340 4.660 -0.000 0.000 0.319 258 W C -1.573 174.907 176.519 -0.065 0.000 1.258 258 W CA -1.377 55.968 57.345 0.000 0.000 1.189 258 W CB 1.084 30.536 29.460 -0.014 0.000 1.412 258 W HN 0.401 nan 8.180 nan 0.000 0.567 259 V N 2.526 122.523 119.914 0.138 0.000 2.555 259 V HA 0.602 4.722 4.120 -0.000 0.000 0.302 259 V C -0.154 175.983 176.094 0.071 0.000 1.038 259 V CA -1.180 61.133 62.300 0.021 0.000 0.887 259 V CB 1.278 33.056 31.823 -0.075 0.000 0.991 259 V HN 0.583 nan 8.190 nan 0.000 0.434 260 L N 3.667 124.909 121.223 0.032 0.000 2.329 260 L HA 1.019 5.358 4.340 -0.000 0.000 0.279 260 L C 0.473 177.216 176.870 -0.212 0.000 1.014 260 L CA -0.248 54.607 54.840 0.024 0.000 0.814 260 L CB 1.737 43.880 42.059 0.140 0.000 1.257 260 L HN 0.882 nan 8.230 nan 0.000 0.424 261 G N 2.106 110.686 108.800 -0.368 0.000 2.489 261 G HA2 0.396 4.356 3.960 -0.000 0.000 0.291 261 G HA3 0.396 4.356 3.960 -0.000 0.000 0.291 261 G C -3.299 171.153 174.900 -0.747 0.000 1.487 261 G CA -0.723 43.875 45.100 -0.836 0.000 0.795 261 G HN 0.260 nan 8.290 nan 0.000 0.513 262 P HA 0.138 nan 4.420 nan 0.000 0.268 262 P C 0.232 177.393 177.300 -0.231 0.000 1.204 262 P CA 0.254 63.120 63.100 -0.390 0.000 0.768 262 P CB 1.669 33.118 31.700 -0.419 0.000 0.842 263 D N 2.245 122.636 120.400 -0.016 0.000 2.203 263 D HA -0.269 4.371 4.640 -0.000 0.000 0.199 263 D C 1.682 177.906 176.300 -0.126 0.000 0.997 263 D CA 1.538 55.499 54.000 -0.064 0.000 0.863 263 D CB -0.137 40.669 40.800 0.010 0.000 0.928 263 D HN 0.538 nan 8.370 nan 0.000 0.458 264 H N -0.313 118.684 119.070 -0.122 0.000 2.470 264 H HA -0.007 4.549 4.556 -0.000 0.000 0.289 264 H C 2.160 177.402 175.328 -0.144 0.000 1.033 264 H CA 0.837 56.807 56.048 -0.130 0.000 1.331 264 H CB -0.400 29.323 29.762 -0.065 0.000 1.414 264 H HN 0.312 nan 8.280 nan 0.000 0.545 265 I N 0.728 120.899 120.570 -0.664 0.000 2.270 265 I HA -0.177 3.993 4.170 -0.000 0.000 0.239 265 I C 2.529 178.472 176.117 -0.289 0.000 1.080 265 I CA 0.542 61.607 61.300 -0.391 0.000 1.383 265 I CB -0.314 37.386 38.000 -0.499 0.000 1.097 265 I HN 0.065 nan 8.210 nan 0.000 0.420 266 M N 1.814 121.216 119.600 -0.330 0.000 2.192 266 M HA -0.239 4.241 4.480 -0.000 0.000 0.259 266 M C 2.264 178.370 176.300 -0.324 0.000 1.071 266 M CA 1.777 56.903 55.300 -0.290 0.000 1.082 266 M CB -1.248 31.189 32.600 -0.272 0.000 1.373 266 M HN 0.395 nan 8.290 nan 0.000 0.408 267 K N -0.595 119.573 120.400 -0.387 0.000 2.152 267 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 267 K C 1.549 177.906 176.600 -0.406 0.000 1.048 267 K CA 1.461 57.490 56.287 -0.430 0.000 0.933 267 K CB -0.567 31.668 32.500 -0.441 0.000 0.721 267 K HN 0.436 nan 8.250 nan 0.000 0.447 268 H N 0.782 119.758 119.070 -0.156 0.000 2.372 268 H HA 0.025 4.581 4.556 -0.000 0.000 0.301 268 H C 2.308 177.561 175.328 -0.125 0.000 1.065 268 H CA 1.004 56.978 56.048 -0.124 0.000 1.364 268 H CB -0.259 29.432 29.762 -0.118 0.000 1.406 268 H HN 0.078 nan 8.280 nan 0.000 0.521 269 L N 0.978 122.174 121.223 -0.045 0.000 2.081 269 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 269 L C 2.752 179.586 176.870 -0.060 0.000 1.080 269 L CA 1.372 56.169 54.840 -0.071 0.000 0.754 269 L CB -0.352 41.634 42.059 -0.122 0.000 0.893 269 L HN 0.101 nan 8.230 nan 0.000 0.433 270 R N -1.433 118.958 120.500 -0.183 0.000 2.081 270 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 270 R C 2.191 178.501 176.300 0.017 0.000 1.131 270 R CA 1.833 57.790 56.100 -0.239 0.000 0.960 270 R CB -0.711 29.130 30.300 -0.765 0.000 0.856 270 R HN 0.351 nan 8.270 nan 0.000 0.436 271 T N 0.687 115.237 114.554 -0.006 0.000 2.684 271 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 271 T C 1.958 176.706 174.700 0.080 0.000 1.036 271 T CA 1.470 63.603 62.100 0.055 0.000 1.148 271 T CB -0.187 68.713 68.868 0.053 0.000 0.863 271 T HN 0.004 nan 8.240 nan 0.000 0.436 272 V N 1.206 121.161 119.914 0.068 0.000 2.343 272 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 272 V C 2.397 178.564 176.094 0.123 0.000 1.051 272 V CA 1.741 64.081 62.300 0.067 0.000 1.036 272 V CB -0.729 31.099 31.823 0.010 0.000 0.654 272 V HN 0.631 nan 8.190 nan 0.000 0.451 273 H N 0.739 119.847 119.070 0.062 0.000 2.387 273 H HA -0.203 4.353 4.556 -0.000 0.000 0.299 273 H C 2.362 177.718 175.328 0.047 0.000 1.090 273 H CA 2.101 58.204 56.048 0.091 0.000 1.332 273 H CB 0.133 29.966 29.762 0.119 0.000 1.386 273 H HN 0.658 nan 8.280 nan 0.000 0.516 274 Q N -0.319 119.541 119.800 0.099 0.000 2.432 274 Q HA -0.025 4.314 4.340 -0.000 0.000 0.205 274 Q C 0.456 176.497 176.000 0.067 0.000 0.945 274 Q CA 0.541 56.288 55.803 -0.092 0.000 0.924 274 Q CB 0.237 28.927 28.738 -0.079 0.000 1.016 274 Q HN 0.325 nan 8.270 nan 0.000 0.503 275 N N 0.461 119.209 118.700 0.079 0.000 2.214 275 N HA 0.054 4.794 4.740 -0.000 0.000 0.214 275 N C 0.475 176.039 175.510 0.091 0.000 1.132 275 N CA 0.707 53.817 53.050 0.100 0.000 0.856 275 N CB 1.286 39.825 38.487 0.086 0.000 1.020 275 N HN 0.378 nan 8.380 nan 0.000 0.509 276 S N -0.671 115.067 115.700 0.064 0.000 3.414 276 S HA 0.036 4.506 4.470 -0.000 0.000 0.193 276 S C 1.597 176.219 174.600 0.036 0.000 0.825 276 S CA 0.384 58.632 58.200 0.080 0.000 0.837 276 S CB -0.474 62.820 63.200 0.156 0.000 0.940 276 S HN -0.076 nan 8.310 nan 0.000 0.639 277 V N -2.337 117.537 119.914 -0.066 0.000 3.431 277 V HA 0.426 4.546 4.120 -0.000 0.000 0.253 277 V C 1.483 177.572 176.094 -0.008 0.000 1.184 277 V CA 0.652 62.930 62.300 -0.038 0.000 1.104 277 V CB -0.927 30.868 31.823 -0.046 0.000 0.799 277 V HN 0.592 nan 8.190 nan 0.000 0.462 278 F N 0.401 120.077 119.950 -0.456 0.000 2.560 278 F HA -0.332 4.195 4.527 -0.000 0.000 0.695 278 F C 0.960 176.530 175.800 -0.383 0.000 0.486 278 F CA 2.480 60.201 58.000 -0.464 0.000 0.722 278 F CB -0.905 37.802 39.000 -0.490 0.000 1.608 278 F HN 0.462 nan 8.300 nan 0.000 0.266 279 H N -0.952 118.298 119.070 0.299 0.000 2.621 279 H HA 0.527 5.083 4.556 -0.000 0.000 0.360 279 H C -0.530 174.942 175.328 0.241 0.000 1.163 279 H CA -0.671 55.542 56.048 0.274 0.000 1.194 279 H CB 1.306 31.215 29.762 0.246 0.000 1.649 279 H HN 0.187 nan 8.280 nan 0.000 0.532 280 C N 3.009 122.544 119.300 0.392 0.000 2.382 280 C HA 0.274 4.734 4.460 -0.000 0.000 0.363 280 C C -1.695 173.433 174.990 0.231 0.000 1.213 280 C CA -1.092 58.100 59.018 0.291 0.000 2.363 280 C CB 0.817 28.724 27.740 0.278 0.000 2.397 280 C HN 0.634 nan 8.230 nan 0.000 0.573 281 P HA 0.134 nan 4.420 nan 0.000 0.271 281 P C 0.429 177.741 177.300 0.020 0.000 1.216 281 P CA 0.387 63.540 63.100 0.088 0.000 0.776 281 P CB 0.464 32.200 31.700 0.060 0.000 0.881 282 T N 2.110 116.646 114.554 -0.030 0.000 2.622 282 T HA -0.210 4.140 4.350 -0.000 0.000 0.266 282 T C 1.814 176.322 174.700 -0.321 0.000 1.047 282 T CA 1.755 63.745 62.100 -0.183 0.000 1.159 282 T CB -0.504 68.267 68.868 -0.161 0.000 0.863 282 T HN 0.498 nan 8.240 nan 0.000 0.422 283 Q N 0.967 120.646 119.800 -0.201 0.000 2.050 283 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 283 Q C 2.767 178.544 176.000 -0.371 0.000 0.980 283 Q CA 1.785 57.471 55.803 -0.195 0.000 0.840 283 Q CB -0.316 28.432 28.738 0.017 0.000 0.898 283 Q HN 0.675 nan 8.270 nan 0.000 0.424 284 S N 0.399 115.829 115.700 -0.450 0.000 2.370 284 S HA -0.283 4.187 4.470 -0.000 0.000 0.226 284 S C 1.913 176.215 174.600 -0.498 0.000 1.033 284 S CA 1.316 58.982 58.200 -0.890 0.000 1.011 284 S CB -0.373 62.478 63.200 -0.583 0.000 0.852 284 S HN 0.345 nan 8.310 nan 0.000 0.457 285 Q N 1.249 120.903 119.800 -0.243 0.000 2.061 285 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 285 Q C 2.701 178.682 176.000 -0.033 0.000 0.984 285 Q CA 1.579 57.357 55.803 -0.043 0.000 0.846 285 Q CB -0.665 28.096 28.738 0.039 0.000 0.902 285 Q HN 0.788 nan 8.270 nan 0.000 0.421 286 A N 1.169 123.820 122.820 -0.283 0.000 1.892 286 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 286 A C 2.317 179.838 177.584 -0.105 0.000 1.188 286 A CA 1.896 53.856 52.037 -0.129 0.000 0.631 286 A CB -0.953 17.878 19.000 -0.282 0.000 0.822 286 A HN 0.443 nan 8.150 nan 0.000 0.447 287 A N -0.758 121.855 122.820 -0.346 0.000 1.908 287 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 287 A C 2.239 179.712 177.584 -0.184 0.000 1.181 287 A CA 1.920 53.703 52.037 -0.424 0.000 0.627 287 A CB -0.927 17.377 19.000 -1.160 0.000 0.818 287 A HN 0.447 nan 8.150 nan 0.000 0.445 288 V N -0.291 119.585 119.914 -0.063 0.000 2.427 288 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 288 V C 3.026 179.217 176.094 0.162 0.000 1.051 288 V CA 1.751 64.129 62.300 0.131 0.000 1.048 288 V CB -1.199 30.847 31.823 0.372 0.000 0.666 288 V HN 0.615 nan 8.190 nan 0.000 0.456 289 A N -0.074 122.863 122.820 0.195 0.000 1.902 289 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 289 A C 2.269 179.941 177.584 0.146 0.000 1.181 289 A CA 2.109 54.280 52.037 0.225 0.000 0.623 289 A CB -0.495 18.643 19.000 0.230 0.000 0.818 289 A HN 0.634 nan 8.150 nan 0.000 0.443 290 E N -0.083 120.163 120.200 0.076 0.000 2.077 290 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 290 E C 2.099 178.703 176.600 0.007 0.000 0.989 290 E CA 1.389 57.816 56.400 0.045 0.000 0.800 290 E CB -0.112 29.613 29.700 0.042 0.000 0.746 290 E HN 0.541 nan 8.360 nan 0.000 0.452 291 S N -0.128 115.497 115.700 -0.125 0.000 2.382 291 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 291 S C 1.525 176.043 174.600 -0.136 0.000 1.027 291 S CA 0.956 58.973 58.200 -0.305 0.000 0.991 291 S CB -0.320 62.070 63.200 -1.351 0.000 0.823 291 S HN 0.268 nan 8.310 nan 0.000 0.469 292 F N 1.780 121.743 119.950 0.023 0.000 2.163 292 F HA 0.022 4.549 4.527 -0.000 0.000 0.297 292 F C 2.340 178.014 175.800 -0.209 0.000 1.094 292 F CA 0.639 58.681 58.000 0.070 0.000 1.290 292 F CB -0.747 38.343 39.000 0.150 0.000 1.017 292 F HN 0.187 nan 8.300 nan 0.000 0.483 293 E N -0.363 119.870 120.200 0.054 0.000 2.114 293 E HA -0.279 4.070 4.350 -0.000 0.000 0.199 293 E C 2.423 178.939 176.600 -0.140 0.000 1.008 293 E CA 1.253 57.616 56.400 -0.062 0.000 0.810 293 E CB -0.206 29.484 29.700 -0.017 0.000 0.739 293 E HN 0.112 nan 8.360 nan 0.000 0.456 294 R N 0.886 121.295 120.500 -0.152 0.000 2.075 294 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 294 R C 1.693 177.749 176.300 -0.407 0.000 1.126 294 R CA 1.205 57.133 56.100 -0.286 0.000 0.963 294 R CB 0.011 30.070 30.300 -0.403 0.000 0.858 294 R HN 0.140 nan 8.270 nan 0.000 0.435 295 E N 0.484 120.418 120.200 -0.444 0.000 2.216 295 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 295 E C 1.836 178.176 176.600 -0.432 0.000 0.988 295 E CA 0.937 56.998 56.400 -0.565 0.000 0.834 295 E CB 0.091 29.270 29.700 -0.868 0.000 0.772 295 E HN 0.483 nan 8.360 nan 0.000 0.479 296 Q N 0.625 120.116 119.800 -0.515 0.000 2.096 296 Q HA -0.084 4.256 4.340 -0.000 0.000 0.197 296 Q C 2.192 178.100 176.000 -0.153 0.000 0.964 296 Q CA 0.785 56.267 55.803 -0.535 0.000 0.838 296 Q CB -0.421 27.898 28.738 -0.698 0.000 0.906 296 Q HN 0.161 nan 8.270 nan 0.000 0.444 297 L N 0.467 121.598 121.223 -0.153 0.000 1.978 297 L HA -0.140 4.200 4.340 -0.000 0.000 0.218 297 L C 1.610 178.456 176.870 -0.039 0.000 1.075 297 L CA 1.897 56.689 54.840 -0.081 0.000 0.767 297 L CB -0.343 41.654 42.059 -0.104 0.000 0.890 297 L HN 0.454 nan 8.230 nan 0.000 0.434 298 L N -0.974 120.200 121.223 -0.082 0.000 2.688 298 L HA 0.102 4.442 4.340 -0.000 0.000 0.234 298 L C 0.150 177.048 176.870 0.047 0.000 1.192 298 L CA -0.685 54.127 54.840 -0.046 0.000 0.984 298 L CB -0.893 41.096 42.059 -0.118 0.000 1.232 298 L HN 0.054 nan 8.230 nan 0.000 0.465 299 F N 2.357 122.271 119.950 -0.060 0.000 2.612 299 F HA -0.018 4.508 4.527 -0.000 0.000 0.389 299 F C 1.459 177.313 175.800 0.090 0.000 1.055 299 F CA 0.223 58.257 58.000 0.057 0.000 1.232 299 F CB -0.065 39.041 39.000 0.176 0.000 1.044 299 F HN 0.236 nan 8.300 nan 0.000 0.560 300 R N 1.048 121.316 120.500 -0.387 0.000 3.590 300 R HA -0.246 4.094 4.340 -0.000 0.000 0.463 300 R C 0.197 176.425 176.300 -0.120 0.000 0.657 300 R CA 1.372 57.265 56.100 -0.346 0.000 1.512 300 R CB -1.179 28.874 30.300 -0.413 0.000 2.154 300 R HN 0.727 nan 8.270 nan 0.000 0.409 301 Q N 1.410 121.172 119.800 -0.063 0.000 2.352 301 Q HA 0.072 4.412 4.340 -0.000 0.000 0.260 301 Q C -1.456 174.535 176.000 -0.015 0.000 0.976 301 Q CA -1.311 54.473 55.803 -0.032 0.000 0.881 301 Q CB 0.719 29.442 28.738 -0.025 0.000 1.235 301 Q HN -0.021 nan 8.270 nan 0.000 0.419 302 P HA -0.267 nan 4.420 nan 0.000 0.218 302 P C 0.866 178.176 177.300 0.017 0.000 1.152 302 P CA 1.752 64.858 63.100 0.010 0.000 0.857 302 P CB 0.109 31.813 31.700 0.007 0.000 0.787 303 S N -1.513 114.188 115.700 0.002 0.000 2.593 303 S HA 0.042 4.512 4.470 -0.000 0.000 0.217 303 S C 0.992 175.584 174.600 -0.014 0.000 0.966 303 S CA -0.118 58.083 58.200 0.002 0.000 0.914 303 S CB -1.036 62.156 63.200 -0.013 0.000 0.776 303 S HN 0.259 nan 8.310 nan 0.000 0.523 304 S N 0.585 116.268 115.700 -0.029 0.000 2.562 304 S HA 0.195 4.665 4.470 -0.000 0.000 0.281 304 S C 0.624 175.238 174.600 0.023 0.000 1.333 304 S CA -0.584 57.569 58.200 -0.079 0.000 1.052 304 S CB 0.179 63.337 63.200 -0.071 0.000 0.884 304 S HN 0.361 nan 8.310 nan 0.000 0.506 305 Y N 3.171 123.365 120.300 -0.176 0.000 2.181 305 Y HA -0.044 4.506 4.550 -0.000 0.000 0.288 305 Y C 1.400 177.477 175.900 0.295 0.000 1.146 305 Y CA 1.475 59.612 58.100 0.062 0.000 1.164 305 Y CB -0.390 38.147 38.460 0.130 0.000 0.982 305 Y HN 0.773 nan 8.280 nan 0.000 0.515 306 F N -1.492 118.572 119.950 0.190 0.000 2.641 306 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 306 F C 2.073 177.995 175.800 0.203 0.000 1.146 306 F CA 0.257 58.366 58.000 0.182 0.000 1.464 306 F CB -1.317 37.750 39.000 0.112 0.000 1.101 306 F HN -0.041 nan 8.300 nan 0.000 0.585 307 V N -0.622 119.462 119.914 0.283 0.000 2.521 307 V HA -0.134 3.986 4.120 -0.000 0.000 0.239 307 V C 2.163 178.346 176.094 0.148 0.000 1.053 307 V CA 1.052 63.465 62.300 0.187 0.000 1.073 307 V CB -0.539 31.349 31.823 0.107 0.000 0.746 307 V HN 0.174 nan 8.190 nan 0.000 0.476 308 Q N -0.679 119.195 119.800 0.122 0.000 2.084 308 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 308 Q C 2.202 178.264 176.000 0.104 0.000 0.978 308 Q CA 1.886 57.750 55.803 0.100 0.000 0.844 308 Q CB -0.309 28.496 28.738 0.111 0.000 0.898 308 Q HN 0.561 nan 8.270 nan 0.000 0.426 309 F N 2.059 121.910 119.950 -0.167 0.000 2.075 309 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 309 F C -0.894 174.929 175.800 0.038 0.000 1.113 309 F CA 0.638 58.502 58.000 -0.227 0.000 1.218 309 F CB -1.235 37.346 39.000 -0.699 0.000 0.984 309 F HN -0.017 nan 8.300 nan 0.000 0.472 310 P HA -0.200 nan 4.420 nan 0.000 0.216 310 P C 1.589 178.973 177.300 0.139 0.000 1.150 310 P CA 1.881 65.091 63.100 0.182 0.000 0.837 310 P CB -0.174 31.682 31.700 0.260 0.000 0.786 311 Q N -0.647 119.203 119.800 0.084 0.000 2.002 311 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 311 Q C 2.287 178.261 176.000 -0.043 0.000 0.988 311 Q CA 1.922 57.744 55.803 0.032 0.000 0.843 311 Q CB -0.825 27.938 28.738 0.041 0.000 0.908 311 Q HN 0.130 nan 8.270 nan 0.000 0.420 312 A N 0.563 123.347 122.820 -0.059 0.000 1.903 312 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 312 A C 1.985 179.473 177.584 -0.160 0.000 1.191 312 A CA 1.803 53.783 52.037 -0.095 0.000 0.638 312 A CB -0.442 18.521 19.000 -0.061 0.000 0.823 312 A HN 0.313 nan 8.150 nan 0.000 0.451 313 M N -1.266 118.183 119.600 -0.251 0.000 2.334 313 M HA -0.050 4.430 4.480 -0.000 0.000 0.266 313 M C 2.223 178.316 176.300 -0.345 0.000 1.082 313 M CA 1.544 56.719 55.300 -0.208 0.000 1.141 313 M CB -1.203 31.257 32.600 -0.232 0.000 1.380 313 M HN 0.731 nan 8.290 nan 0.000 0.440 314 Q N 0.851 120.373 119.800 -0.463 0.000 2.077 314 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 314 Q C 2.126 177.893 176.000 -0.387 0.000 0.989 314 Q CA 2.041 57.483 55.803 -0.600 0.000 0.853 314 Q CB -0.025 28.545 28.738 -0.281 0.000 0.907 314 Q HN 0.385 nan 8.270 nan 0.000 0.418 315 R N -0.701 119.666 120.500 -0.220 0.000 2.091 315 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 315 R C 2.499 178.725 176.300 -0.123 0.000 1.136 315 R CA 1.618 57.635 56.100 -0.139 0.000 0.959 315 R CB -0.506 29.747 30.300 -0.077 0.000 0.856 315 R HN 0.425 nan 8.270 nan 0.000 0.437 316 C N -0.249 118.976 119.300 -0.126 0.000 2.432 316 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 316 C C 2.680 177.530 174.990 -0.233 0.000 1.249 316 C CA 0.504 59.483 59.018 -0.064 0.000 1.725 316 C CB -0.926 26.857 27.740 0.071 0.000 2.028 316 C HN 0.510 nan 8.230 nan 0.000 0.477 317 R N 1.215 121.313 120.500 -0.670 0.000 2.103 317 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 317 R C 1.792 177.790 176.300 -0.504 0.000 1.132 317 R CA 2.429 57.849 56.100 -1.133 0.000 0.925 317 R CB -0.626 28.747 30.300 -1.544 0.000 0.842 317 R HN 0.445 nan 8.270 nan 0.000 0.430 318 D N -0.763 119.419 120.400 -0.362 0.000 2.149 318 D HA -0.226 4.414 4.640 -0.000 0.000 0.194 318 D C 1.764 178.016 176.300 -0.080 0.000 1.001 318 D CA 1.717 55.601 54.000 -0.192 0.000 0.849 318 D CB -0.527 40.183 40.800 -0.149 0.000 0.939 318 D HN 0.570 nan 8.370 nan 0.000 0.449 319 H N -0.359 118.605 119.070 -0.177 0.000 2.299 319 H HA -0.075 4.481 4.556 -0.000 0.000 0.302 319 H C 2.316 177.575 175.328 -0.116 0.000 1.078 319 H CA 1.336 57.314 56.048 -0.118 0.000 1.323 319 H CB -0.038 29.671 29.762 -0.089 0.000 1.381 319 H HN 0.051 nan 8.280 nan 0.000 0.498 320 M N 0.603 120.152 119.600 -0.084 0.000 2.108 320 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 320 M C 2.081 178.302 176.300 -0.130 0.000 1.066 320 M CA 1.657 56.858 55.300 -0.165 0.000 1.107 320 M CB -0.141 32.372 32.600 -0.145 0.000 1.356 320 M HN 0.389 nan 8.290 nan 0.000 0.406 321 I N -0.024 120.471 120.570 -0.126 0.000 2.248 321 I HA -0.352 3.818 4.170 -0.000 0.000 0.248 321 I C 2.420 178.500 176.117 -0.063 0.000 1.107 321 I CA 1.613 62.854 61.300 -0.099 0.000 1.373 321 I CB -0.431 37.506 38.000 -0.106 0.000 1.055 321 I HN 0.408 nan 8.210 nan 0.000 0.418 322 R N -0.148 120.332 120.500 -0.034 0.000 2.093 322 R HA -0.042 4.298 4.340 -0.000 0.000 0.224 322 R C 2.502 178.791 176.300 -0.018 0.000 1.101 322 R CA 1.319 57.407 56.100 -0.020 0.000 0.979 322 R CB -0.203 30.087 30.300 -0.015 0.000 0.877 322 R HN 0.247 nan 8.270 nan 0.000 0.441 323 S N 1.378 117.081 115.700 0.005 0.000 2.356 323 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 323 S C 1.965 176.514 174.600 -0.085 0.000 1.032 323 S CA 1.138 59.330 58.200 -0.013 0.000 1.005 323 S CB -0.173 63.030 63.200 0.005 0.000 0.867 323 S HN 0.187 nan 8.310 nan 0.000 0.449 324 L N 1.142 122.283 121.223 -0.136 0.000 2.109 324 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 324 L C 2.779 179.585 176.870 -0.107 0.000 1.086 324 L CA 0.909 55.639 54.840 -0.184 0.000 0.760 324 L CB -0.513 41.361 42.059 -0.308 0.000 0.910 324 L HN 0.328 nan 8.230 nan 0.000 0.437 325 Q N 0.461 120.221 119.800 -0.067 0.000 2.133 325 Q HA -0.194 4.146 4.340 -0.000 0.000 0.208 325 Q C 0.750 176.730 176.000 -0.033 0.000 0.991 325 Q CA 1.774 57.560 55.803 -0.028 0.000 0.867 325 Q CB 0.039 28.764 28.738 -0.022 0.000 0.911 325 Q HN 0.530 nan 8.270 nan 0.000 0.417 326 S N -0.817 114.852 115.700 -0.052 0.000 2.921 326 S HA 0.431 4.901 4.470 -0.000 0.000 0.244 326 S C -0.079 174.462 174.600 -0.099 0.000 1.291 326 S CA -0.685 57.483 58.200 -0.055 0.000 1.010 326 S CB 1.587 64.763 63.200 -0.040 0.000 1.255 326 S HN 0.169 nan 8.310 nan 0.000 0.492 327 V N 0.693 120.537 119.914 -0.116 0.000 5.101 327 V HA 0.279 4.399 4.120 -0.000 0.000 0.610 327 V C 1.287 177.339 176.094 -0.070 0.000 2.130 327 V CA 0.149 62.313 62.300 -0.226 0.000 2.793 327 V CB -0.075 31.449 31.823 -0.498 0.000 1.016 327 V HN 0.946 nan 8.190 nan 0.000 0.439 328 G N 0.712 109.520 108.800 0.015 0.000 2.284 328 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.201 328 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.201 328 G C 0.130 175.174 174.900 0.240 0.000 0.998 328 G CA 0.011 45.159 45.100 0.081 0.000 0.651 328 G HN 0.410 nan 8.290 nan 0.000 0.489 329 L N 0.549 121.941 121.223 0.282 0.000 2.506 329 L HA 0.347 4.687 4.340 -0.000 0.000 0.281 329 L C 0.889 177.848 176.870 0.148 0.000 1.228 329 L CA 0.483 55.468 54.840 0.241 0.000 0.850 329 L CB 0.561 42.699 42.059 0.131 0.000 1.110 329 L HN 0.111 nan 8.230 nan 0.000 0.496 330 K N 3.440 123.940 120.400 0.167 0.000 2.533 330 K HA 0.318 4.638 4.320 -0.000 0.000 0.207 330 K C -2.421 174.279 176.600 0.168 0.000 1.052 330 K CA -1.704 54.669 56.287 0.143 0.000 1.030 330 K CB 0.800 33.387 32.500 0.145 0.000 1.522 330 K HN 0.168 nan 8.250 nan 0.000 0.543 331 P HA -0.045 nan 4.420 nan 0.000 0.266 331 P C -1.037 176.348 177.300 0.142 0.000 1.195 331 P CA -0.076 63.100 63.100 0.125 0.000 0.768 331 P CB 0.589 32.320 31.700 0.052 0.000 0.838 332 L N 4.192 125.506 121.223 0.152 0.000 2.262 332 L HA 0.333 4.673 4.340 -0.000 0.000 0.288 332 L C 0.363 177.275 176.870 0.069 0.000 1.035 332 L CA -0.193 54.725 54.840 0.130 0.000 0.820 332 L CB 0.251 42.382 42.059 0.119 0.000 1.204 332 L HN 0.283 nan 8.230 nan 0.000 0.424 333 I N 6.293 126.899 120.570 0.060 0.000 2.668 333 I HA 0.070 4.240 4.170 -0.000 0.000 0.285 333 I C -1.836 174.301 176.117 0.034 0.000 1.168 333 I CA -1.236 60.084 61.300 0.032 0.000 1.424 333 I CB 0.358 38.379 38.000 0.035 0.000 1.377 333 I HN 0.376 nan 8.210 nan 0.000 0.560 334 P HA 0.207 nan 4.420 nan 0.000 0.288 334 P C -0.730 176.655 177.300 0.141 0.000 1.267 334 P CA -0.553 62.597 63.100 0.083 0.000 0.815 334 P CB 1.511 33.330 31.700 0.199 0.000 0.989 335 Q N 1.000 120.814 119.800 0.023 0.000 2.432 335 Q HA 0.313 4.653 4.340 -0.000 0.000 0.205 335 Q C 1.107 177.107 176.000 -0.001 0.000 0.945 335 Q CA 0.815 56.607 55.803 -0.018 0.000 0.924 335 Q CB -0.052 28.404 28.738 -0.469 0.000 1.016 335 Q HN 0.765 nan 8.270 nan 0.000 0.503 336 G N -1.583 107.210 108.800 -0.011 0.000 2.561 336 G HA2 0.515 4.474 3.960 -0.000 0.000 0.310 336 G HA3 0.515 4.474 3.960 -0.000 0.000 0.310 336 G C -1.196 173.682 174.900 -0.036 0.000 1.292 336 G CA -0.092 44.863 45.100 -0.242 0.000 0.811 336 G HN 0.550 nan 8.290 nan 0.000 0.482 337 S N -2.612 112.992 115.700 -0.159 0.000 3.998 337 S HA -0.203 4.267 4.470 -0.000 0.000 0.668 337 S C 0.269 174.728 174.600 -0.234 0.000 1.288 337 S CA 0.537 58.493 58.200 -0.408 0.000 1.411 337 S CB -1.137 61.744 63.200 -0.531 0.000 0.368 337 S HN 1.715 nan 8.310 nan 0.000 1.206 338 Y N 0.803 120.519 120.300 -0.974 0.000 2.583 338 Y HA 0.377 4.927 4.550 -0.000 0.000 0.293 338 Y C 0.874 175.804 175.900 -1.617 0.000 1.157 338 Y CA -0.287 57.053 58.100 -1.267 0.000 1.315 338 Y CB -0.666 36.921 38.460 -1.454 0.000 1.021 338 Y HN 0.477 nan 8.280 nan 0.000 0.536 339 F N -0.131 119.639 119.950 -0.299 0.000 2.577 339 F HA 0.561 5.088 4.527 -0.000 0.000 0.318 339 F C -0.469 175.480 175.800 0.248 0.000 1.065 339 F CA -1.940 56.001 58.000 -0.098 0.000 0.929 339 F CB 1.485 40.397 39.000 -0.146 0.000 1.237 339 F HN -0.348 nan 8.300 nan 0.000 0.468 340 L N 2.009 123.546 121.223 0.522 0.000 2.381 340 L HA 0.832 5.172 4.340 -0.000 0.000 0.268 340 L C -0.721 176.313 176.870 0.273 0.000 0.997 340 L CA -1.026 54.023 54.840 0.349 0.000 0.818 340 L CB 1.813 44.065 42.059 0.321 0.000 1.310 340 L HN 0.630 nan 8.230 nan 0.000 0.416 341 I N -0.173 120.474 120.570 0.129 0.000 2.498 341 I HA 0.838 5.008 4.170 -0.000 0.000 0.301 341 I C -0.166 176.107 176.117 0.261 0.000 0.984 341 I CA -0.311 61.079 61.300 0.150 0.000 1.204 341 I CB 2.024 39.998 38.000 -0.043 0.000 1.362 341 I HN 0.872 nan 8.210 nan 0.000 0.471 342 T N 0.292 115.068 114.554 0.371 0.000 2.856 342 T HA 0.294 4.644 4.350 -0.000 0.000 0.283 342 T C -0.404 174.539 174.700 0.404 0.000 1.008 342 T CA -0.728 61.587 62.100 0.359 0.000 0.997 342 T CB 1.716 70.781 68.868 0.328 0.000 0.992 342 T HN 0.683 nan 8.240 nan 0.000 0.454 343 D N 1.721 122.361 120.400 0.400 0.000 2.424 343 D HA 0.122 4.762 4.640 -0.000 0.000 0.244 343 D C 0.863 177.235 176.300 0.119 0.000 1.134 343 D CA -0.673 53.456 54.000 0.216 0.000 0.881 343 D CB 0.529 41.478 40.800 0.248 0.000 1.191 343 D HN 0.728 nan 8.370 nan 0.000 0.445 344 I N 0.508 121.086 120.570 0.014 0.000 3.833 344 I HA 0.145 4.315 4.170 -0.000 0.000 0.328 344 I C 1.341 177.508 176.117 0.083 0.000 1.554 344 I CA -0.434 60.890 61.300 0.040 0.000 1.116 344 I CB 0.233 38.037 38.000 -0.326 0.000 1.182 344 I HN 0.175 nan 8.210 nan 0.000 0.459 345 S N 0.062 115.752 115.700 -0.016 0.000 2.399 345 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 345 S C 1.355 175.894 174.600 -0.103 0.000 1.022 345 S CA 1.422 59.535 58.200 -0.147 0.000 0.983 345 S CB -0.451 62.550 63.200 -0.330 0.000 0.803 345 S HN 0.512 nan 8.310 nan 0.000 0.480 346 D N 1.558 121.935 120.400 -0.038 0.000 2.092 346 D HA -0.061 4.579 4.640 -0.000 0.000 0.193 346 D C 1.569 177.781 176.300 -0.147 0.000 0.994 346 D CA 1.213 55.144 54.000 -0.116 0.000 0.828 346 D CB -0.670 40.036 40.800 -0.156 0.000 0.963 346 D HN 0.499 nan 8.370 nan 0.000 0.450 347 F N 1.260 121.221 119.950 0.018 0.000 2.120 347 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 347 F C 2.450 178.261 175.800 0.018 0.000 1.095 347 F CA 1.107 59.168 58.000 0.103 0.000 1.249 347 F CB -0.292 38.861 39.000 0.256 0.000 0.995 347 F HN -0.106 nan 8.300 nan 0.000 0.480 348 K N 0.235 120.629 120.400 -0.010 0.000 2.063 348 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 348 K C 2.240 178.658 176.600 -0.304 0.000 1.048 348 K CA 1.418 57.402 56.287 -0.506 0.000 0.928 348 K CB -0.032 32.025 32.500 -0.739 0.000 0.713 348 K HN 0.164 nan 8.250 nan 0.000 0.442 349 R N 0.473 120.851 120.500 -0.203 0.000 2.061 349 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 349 R C 2.255 178.487 176.300 -0.112 0.000 1.140 349 R CA 1.644 57.649 56.100 -0.158 0.000 0.940 349 R CB -0.115 30.099 30.300 -0.143 0.000 0.839 349 R HN 0.069 nan 8.270 nan 0.000 0.429 350 K N -0.254 120.086 120.400 -0.101 0.000 2.281 350 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 350 K C 1.124 177.704 176.600 -0.033 0.000 1.046 350 K CA 1.030 57.274 56.287 -0.071 0.000 0.938 350 K CB 0.083 32.522 32.500 -0.102 0.000 0.737 350 K HN 0.181 nan 8.250 nan 0.000 0.458 351 M N -0.366 119.224 119.600 -0.017 0.000 4.045 351 M HA 0.117 4.597 4.480 -0.000 0.000 0.498 351 M C -2.355 173.965 176.300 0.034 0.000 1.896 351 M CA -1.159 54.148 55.300 0.010 0.000 0.626 351 M CB 1.089 33.706 32.600 0.029 0.000 1.458 351 M HN -0.176 nan 8.290 nan 0.000 0.556 352 P HA -0.098 nan 4.420 nan 0.000 0.216 352 P C -0.662 176.673 177.300 0.059 0.000 1.150 352 P CA 1.397 64.459 63.100 -0.062 0.000 0.837 352 P CB 0.054 31.706 31.700 -0.079 0.000 0.786 353 D N 0.153 120.584 120.400 0.052 0.000 2.493 353 D HA 0.233 4.873 4.640 -0.000 0.000 0.235 353 D C 0.048 176.383 176.300 0.058 0.000 1.117 353 D CA -0.138 53.898 54.000 0.060 0.000 0.930 353 D CB 0.912 41.728 40.800 0.027 0.000 1.010 353 D HN 0.131 nan 8.370 nan 0.000 0.514 354 L N 2.375 123.655 121.223 0.095 0.000 2.360 354 L HA 0.348 4.688 4.340 -0.000 0.000 0.271 354 L C -1.876 175.012 176.870 0.030 0.000 1.057 354 L CA -1.782 53.070 54.840 0.020 0.000 0.803 354 L CB 1.126 43.153 42.059 -0.052 0.000 1.207 354 L HN 0.069 nan 8.230 nan 0.000 0.445 355 P HA 0.304 nan 4.420 nan 0.000 0.271 355 P C -0.451 176.857 177.300 0.012 0.000 1.226 355 P CA 0.051 63.164 63.100 0.021 0.000 0.765 355 P CB 0.969 32.683 31.700 0.023 0.000 0.835 356 G N 1.084 109.893 108.800 0.015 0.000 2.349 356 G HA2 0.487 4.447 3.960 -0.000 0.000 0.294 356 G HA3 0.487 4.447 3.960 -0.000 0.000 0.294 356 G C -1.195 173.713 174.900 0.013 0.000 1.380 356 G CA -0.291 44.815 45.100 0.009 0.000 0.811 356 G HN 0.508 nan 8.290 nan 0.000 0.519 357 A N -0.675 122.150 122.820 0.008 0.000 2.586 357 A HA 0.476 4.796 4.320 -0.000 0.000 0.231 357 A C 1.278 178.874 177.584 0.019 0.000 1.055 357 A CA 0.589 52.631 52.037 0.008 0.000 0.756 357 A CB -0.155 18.845 19.000 0.000 0.000 0.988 357 A HN 2.290 nan 8.150 nan 0.000 0.509 358 V N -0.038 119.885 119.914 0.014 0.000 2.673 358 V HA 0.351 4.471 4.120 -0.000 0.000 0.303 358 V C 0.367 176.475 176.094 0.024 0.000 1.046 358 V CA 0.592 62.904 62.300 0.019 0.000 1.126 358 V CB 0.221 32.051 31.823 0.013 0.000 0.934 358 V HN 0.999 nan 8.190 nan 0.000 0.487 359 D N 0.367 120.787 120.400 0.033 0.000 3.076 359 D HA -0.189 4.451 4.640 -0.000 0.000 0.218 359 D C 0.290 176.618 176.300 0.047 0.000 1.156 359 D CA 1.778 55.801 54.000 0.039 0.000 0.921 359 D CB -0.976 39.841 40.800 0.029 0.000 1.113 359 D HN 1.150 nan 8.370 nan 0.000 0.418 360 E N 0.433 120.664 120.200 0.052 0.000 2.259 360 E HA 0.456 4.806 4.350 -0.000 0.000 0.281 360 E C -2.479 174.170 176.600 0.083 0.000 1.027 360 E CA -1.737 54.700 56.400 0.062 0.000 0.838 360 E CB 1.098 30.831 29.700 0.054 0.000 1.066 360 E HN -0.096 nan 8.360 nan 0.000 0.401 361 P HA -0.034 nan 4.420 nan 0.000 0.269 361 P C -0.437 176.948 177.300 0.142 0.000 1.209 361 P CA -0.106 63.061 63.100 0.112 0.000 0.776 361 P CB 0.311 32.065 31.700 0.091 0.000 0.876 362 Y N 3.223 123.556 120.300 0.055 0.000 2.081 362 Y HA -0.334 4.216 4.550 -0.000 0.000 0.280 362 Y C 1.979 177.952 175.900 0.121 0.000 1.163 362 Y CA 2.658 60.801 58.100 0.072 0.000 1.135 362 Y CB -0.643 37.842 38.460 0.041 0.000 0.970 362 Y HN 0.450 nan 8.280 nan 0.000 0.498 363 D N -0.403 120.044 120.400 0.078 0.000 2.182 363 D HA -0.214 4.426 4.640 -0.000 0.000 0.201 363 D C 1.847 178.180 176.300 0.055 0.000 0.986 363 D CA 1.625 55.639 54.000 0.023 0.000 0.847 363 D CB -0.662 40.171 40.800 0.054 0.000 0.942 363 D HN 0.436 nan 8.370 nan 0.000 0.467 364 R N 0.482 121.027 120.500 0.075 0.000 2.066 364 R HA 0.062 4.402 4.340 -0.000 0.000 0.232 364 R C 2.683 179.104 176.300 0.202 0.000 1.131 364 R CA 0.752 56.977 56.100 0.207 0.000 0.955 364 R CB -0.371 30.076 30.300 0.245 0.000 0.851 364 R HN 0.253 nan 8.270 nan 0.000 0.432 365 R N 0.325 120.853 120.500 0.048 0.000 2.094 365 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 365 R C 2.259 178.531 176.300 -0.048 0.000 1.137 365 R CA 1.794 57.876 56.100 -0.030 0.000 0.943 365 R CB -0.651 29.597 30.300 -0.087 0.000 0.850 365 R HN 0.193 nan 8.270 nan 0.000 0.433 366 F N 1.456 121.199 119.950 -0.345 0.000 2.102 366 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 366 F C 2.232 178.067 175.800 0.058 0.000 1.105 366 F CA 1.355 59.212 58.000 -0.238 0.000 1.239 366 F CB -0.192 38.555 39.000 -0.421 0.000 0.991 366 F HN -0.266 nan 8.300 nan 0.000 0.474 367 V N 0.752 120.850 119.914 0.306 0.000 2.392 367 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 367 V C 2.390 178.556 176.094 0.121 0.000 1.059 367 V CA 2.219 64.661 62.300 0.237 0.000 1.051 367 V CB -0.684 31.263 31.823 0.207 0.000 0.658 367 V HN 0.310 nan 8.190 nan 0.000 0.455 368 K N -1.504 118.976 120.400 0.135 0.000 2.057 368 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 368 K C 1.926 178.470 176.600 -0.094 0.000 1.050 368 K CA 1.916 58.192 56.287 -0.019 0.000 0.935 368 K CB -0.296 32.150 32.500 -0.090 0.000 0.715 368 K HN 0.635 nan 8.250 nan 0.000 0.439 369 W N 1.750 122.876 121.300 -0.290 0.000 2.332 369 W HA -0.256 4.404 4.660 -0.000 0.000 0.321 369 W C 2.119 178.367 176.519 -0.452 0.000 1.219 369 W CA 1.810 58.934 57.345 -0.368 0.000 1.277 369 W CB -0.416 28.782 29.460 -0.437 0.000 1.161 369 W HN -0.034 nan 8.180 nan 0.000 0.476 370 M N 0.112 119.355 119.600 -0.595 0.000 2.202 370 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 370 M C 1.831 177.787 176.300 -0.575 0.000 1.063 370 M CA 2.006 56.805 55.300 -0.836 0.000 1.097 370 M CB -0.427 31.889 32.600 -0.474 0.000 1.382 370 M HN 0.204 nan 8.290 nan 0.000 0.413 371 I N 0.140 120.477 120.570 -0.388 0.000 2.163 371 I HA -0.327 3.843 4.170 -0.000 0.000 0.240 371 I C 2.296 178.093 176.117 -0.534 0.000 1.081 371 I CA 1.449 62.541 61.300 -0.347 0.000 1.353 371 I CB -0.484 37.362 38.000 -0.256 0.000 1.054 371 I HN 0.290 nan 8.210 nan 0.000 0.407 372 K N 0.778 120.792 120.400 -0.642 0.000 1.991 372 K HA -0.179 4.141 4.320 -0.000 0.000 0.212 372 K C 1.768 178.117 176.600 -0.420 0.000 1.049 372 K CA 1.833 57.750 56.287 -0.616 0.000 0.932 372 K CB -0.265 32.009 32.500 -0.377 0.000 0.717 372 K HN 0.368 nan 8.250 nan 0.000 0.441 373 N N 0.114 118.436 118.700 -0.630 0.000 2.402 373 N HA -0.028 4.712 4.740 -0.000 0.000 0.174 373 N C 1.082 176.206 175.510 -0.642 0.000 1.027 373 N CA 0.767 53.430 53.050 -0.646 0.000 0.891 373 N CB 0.263 38.194 38.487 -0.928 0.000 1.016 373 N HN 0.071 nan 8.380 nan 0.000 0.439 374 K N -0.028 119.907 120.400 -0.776 0.000 2.358 374 K HA 0.266 4.586 4.320 -0.000 0.000 0.200 374 K C 0.663 177.106 176.600 -0.262 0.000 1.030 374 K CA 0.154 56.066 56.287 -0.625 0.000 1.097 374 K CB 0.795 32.599 32.500 -1.159 0.000 0.862 374 K HN 0.204 nan 8.250 nan 0.000 0.534 375 G N 2.000 110.660 108.800 -0.233 0.000 2.168 375 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 375 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 375 G C -0.127 174.764 174.900 -0.015 0.000 0.997 375 G CA 0.244 45.291 45.100 -0.089 0.000 0.708 375 G HN 0.239 nan 8.290 nan 0.000 0.520 376 L N 0.158 121.373 121.223 -0.015 0.000 2.362 376 L HA 0.606 4.946 4.340 -0.000 0.000 0.275 376 L C 0.223 177.143 176.870 0.084 0.000 0.998 376 L CA -1.312 53.594 54.840 0.111 0.000 0.820 376 L CB 2.300 44.522 42.059 0.272 0.000 1.270 376 L HN -0.069 nan 8.230 nan 0.000 0.415 377 V N 2.555 122.529 119.914 0.100 0.000 2.407 377 V HA 0.793 4.913 4.120 -0.000 0.000 0.278 377 V C 0.359 176.448 176.094 -0.009 0.000 1.037 377 V CA -0.196 62.138 62.300 0.056 0.000 0.900 377 V CB 1.000 32.862 31.823 0.066 0.000 0.983 377 V HN 0.925 nan 8.190 nan 0.000 0.459 378 A N 5.601 128.335 122.820 -0.143 0.000 2.507 378 A HA 0.939 5.259 4.320 -0.000 0.000 0.284 378 A C -1.178 176.233 177.584 -0.288 0.000 1.281 378 A CA -0.678 51.103 52.037 -0.426 0.000 0.744 378 A CB 1.636 20.047 19.000 -0.981 0.000 1.332 378 A HN 0.559 nan 8.150 nan 0.000 0.454 379 I N 1.100 121.471 120.570 -0.331 0.000 2.498 379 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 379 I C -2.647 173.309 176.117 -0.268 0.000 1.032 379 I CA -2.084 59.021 61.300 -0.326 0.000 1.073 379 I CB 2.016 39.871 38.000 -0.242 0.000 1.251 379 I HN 0.309 nan 8.210 nan 0.000 0.426 380 P HA 0.067 nan 4.420 nan 0.000 0.269 380 P C 1.101 178.335 177.300 -0.110 0.000 1.252 380 P CA 0.058 63.041 63.100 -0.195 0.000 0.780 380 P CB 0.908 32.462 31.700 -0.243 0.000 0.829 381 V N 3.357 123.320 119.914 0.081 0.000 2.546 381 V HA -0.278 3.842 4.120 -0.000 0.000 0.254 381 V C 2.405 178.677 176.094 0.295 0.000 1.076 381 V CA 2.723 65.201 62.300 0.296 0.000 1.087 381 V CB -1.377 30.618 31.823 0.286 0.000 0.674 381 V HN 0.615 nan 8.190 nan 0.000 0.470 382 S N 0.923 116.701 115.700 0.130 0.000 2.469 382 S HA -0.153 4.317 4.470 -0.000 0.000 0.238 382 S C 1.892 176.444 174.600 -0.080 0.000 0.998 382 S CA 1.493 59.768 58.200 0.125 0.000 0.957 382 S CB -0.864 62.369 63.200 0.055 0.000 0.764 382 S HN 0.813 nan 8.310 nan 0.000 0.514 383 I N -2.033 118.292 120.570 -0.409 0.000 2.916 383 I HA 0.092 4.261 4.170 -0.000 0.000 0.267 383 I C 0.433 175.938 176.117 -1.021 0.000 1.263 383 I CA 0.917 61.763 61.300 -0.756 0.000 1.471 383 I CB -0.476 36.900 38.000 -1.040 0.000 1.089 383 I HN 0.131 nan 8.210 nan 0.000 0.468 384 F N 0.465 120.091 119.950 -0.539 0.000 2.730 384 F HA 0.415 4.942 4.527 -0.000 0.000 0.295 384 F C -0.343 174.724 175.800 -1.222 0.000 1.143 384 F CA -0.498 56.912 58.000 -0.983 0.000 1.367 384 F CB -0.443 38.090 39.000 -0.777 0.000 0.970 384 F HN -0.041 nan 8.300 nan 0.000 0.514 385 Y N -0.818 119.193 120.300 -0.481 0.000 2.576 385 Y HA 0.401 4.951 4.550 -0.000 0.000 0.346 385 Y C 0.523 176.355 175.900 -0.113 0.000 1.018 385 Y CA -1.824 56.171 58.100 -0.175 0.000 1.050 385 Y CB 1.626 40.051 38.460 -0.058 0.000 1.280 385 Y HN -0.059 nan 8.280 nan 0.000 0.474 386 S N 0.012 115.658 115.700 -0.090 0.000 2.568 386 S HA 0.058 4.528 4.470 -0.000 0.000 0.282 386 S C 0.884 175.382 174.600 -0.170 0.000 1.338 386 S CA -0.576 57.292 58.200 -0.554 0.000 1.045 386 S CB 0.905 63.105 63.200 -1.666 0.000 0.873 386 S HN 0.558 nan 8.310 nan 0.000 0.516 387 V N 3.617 123.465 119.914 -0.110 0.000 2.287 387 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 387 V C -0.469 175.647 176.094 0.037 0.000 1.053 387 V CA 1.954 64.252 62.300 -0.003 0.000 1.027 387 V CB -1.892 29.938 31.823 0.012 0.000 0.646 387 V HN 0.765 nan 8.190 nan 0.000 0.447 388 P HA -0.186 nan 4.420 nan 0.000 0.218 388 P C 1.186 178.671 177.300 0.309 0.000 1.146 388 P CA 1.677 64.846 63.100 0.116 0.000 0.820 388 P CB -0.161 31.576 31.700 0.063 0.000 0.778 389 H N -2.144 116.983 119.070 0.094 0.000 2.586 389 H HA 0.163 4.719 4.556 -0.000 0.000 0.273 389 H C 1.742 177.183 175.328 0.188 0.000 0.997 389 H CA -0.108 56.062 56.048 0.204 0.000 1.177 389 H CB 0.330 30.257 29.762 0.274 0.000 1.471 389 H HN 0.278 nan 8.280 nan 0.000 0.538 390 Q N 1.077 121.011 119.800 0.222 0.000 2.167 390 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 390 Q C 1.685 177.752 176.000 0.113 0.000 0.970 390 Q CA 0.678 56.555 55.803 0.124 0.000 0.855 390 Q CB 0.151 28.947 28.738 0.097 0.000 0.911 390 Q HN 0.374 nan 8.270 nan 0.000 0.438 391 K N 0.543 121.019 120.400 0.127 0.000 1.988 391 K HA -0.270 4.050 4.320 -0.000 0.000 0.221 391 K C 2.052 178.697 176.600 0.074 0.000 1.053 391 K CA 2.028 58.373 56.287 0.097 0.000 0.959 391 K CB -0.332 32.229 32.500 0.101 0.000 0.728 391 K HN 0.259 nan 8.250 nan 0.000 0.447 392 H N -0.986 118.066 119.070 -0.030 0.000 2.457 392 H HA -0.034 4.522 4.556 -0.000 0.000 0.294 392 H C 0.222 175.353 175.328 -0.327 0.000 1.064 392 H CA 1.210 57.137 56.048 -0.201 0.000 1.330 392 H CB 0.164 29.735 29.762 -0.317 0.000 1.395 392 H HN 0.050 nan 8.280 nan 0.000 0.541 393 F N 0.957 120.798 119.950 -0.182 0.000 2.942 393 F HA 0.169 4.696 4.527 -0.000 0.000 0.324 393 F C 0.353 175.998 175.800 -0.259 0.000 1.265 393 F CA -0.489 57.293 58.000 -0.364 0.000 1.255 393 F CB 0.538 39.014 39.000 -0.874 0.000 1.048 393 F HN 0.257 nan 8.300 nan 0.000 0.512 394 D N -1.382 119.023 120.400 0.009 0.000 2.358 394 D HA -0.069 4.571 4.640 -0.000 0.000 0.224 394 D C 1.081 177.446 176.300 0.109 0.000 1.123 394 D CA 0.228 54.276 54.000 0.079 0.000 0.833 394 D CB -0.725 40.152 40.800 0.127 0.000 0.946 394 D HN 0.498 nan 8.370 nan 0.000 0.505 395 H N -1.679 117.327 119.070 -0.106 0.000 2.528 395 H HA 0.210 4.766 4.556 -0.000 0.000 0.282 395 H C -0.863 174.226 175.328 -0.398 0.000 1.097 395 H CA -0.560 55.341 56.048 -0.244 0.000 1.121 395 H CB -0.744 28.785 29.762 -0.388 0.000 1.590 395 H HN 0.006 nan 8.280 nan 0.000 0.553 396 Y N 1.456 121.725 120.300 -0.053 0.000 2.509 396 Y HA 0.511 5.061 4.550 -0.000 0.000 0.341 396 Y C 0.525 176.429 175.900 0.006 0.000 1.038 396 Y CA -1.385 56.726 58.100 0.017 0.000 1.089 396 Y CB 1.948 40.441 38.460 0.055 0.000 1.241 396 Y HN 0.122 nan 8.280 nan 0.000 0.468 397 I N -0.657 120.018 120.570 0.174 0.000 2.828 397 I HA 0.700 4.870 4.170 -0.000 0.000 0.302 397 I C -1.086 175.018 176.117 -0.022 0.000 1.101 397 I CA -1.255 60.058 61.300 0.021 0.000 1.031 397 I CB 2.490 40.452 38.000 -0.063 0.000 1.231 397 I HN 0.534 nan 8.210 nan 0.000 0.427 398 R N 3.872 124.272 120.500 -0.167 0.000 2.445 398 R HA 0.609 4.949 4.340 -0.000 0.000 0.308 398 R C -2.101 174.053 176.300 -0.243 0.000 0.961 398 R CA -0.456 55.564 56.100 -0.133 0.000 0.862 398 R CB 1.306 31.486 30.300 -0.200 0.000 1.144 398 R HN 0.676 nan 8.270 nan 0.000 0.447 399 F N 2.285 122.322 119.950 0.145 0.000 2.522 399 F HA 0.435 4.962 4.527 -0.000 0.000 0.324 399 F C -0.028 175.930 175.800 0.264 0.000 1.077 399 F CA -0.664 57.449 58.000 0.187 0.000 0.944 399 F CB 1.814 40.921 39.000 0.179 0.000 1.175 399 F HN 0.428 nan 8.300 nan 0.000 0.468 400 C N 4.854 124.387 119.300 0.389 0.000 2.319 400 C HA 0.547 5.006 4.460 -0.000 0.000 0.323 400 C C 0.455 175.445 174.990 -0.001 0.000 1.277 400 C CA -0.763 58.332 59.018 0.128 0.000 1.517 400 C CB -1.173 26.654 27.740 0.145 0.000 2.206 400 C HN 0.792 nan 8.230 nan 0.000 0.486 401 F N 3.757 123.715 119.950 0.014 0.000 2.639 401 F HA 0.433 4.960 4.527 -0.000 0.000 0.302 401 F C 0.243 176.002 175.800 -0.067 0.000 1.097 401 F CA -0.683 57.295 58.000 -0.036 0.000 1.294 401 F CB -0.675 38.288 39.000 -0.062 0.000 1.027 401 F HN 0.188 nan 8.300 nan 0.000 0.550 402 V N 3.792 123.529 119.914 -0.296 0.000 2.153 402 V HA 0.245 4.365 4.120 -0.000 0.000 0.250 402 V C -0.123 175.963 176.094 -0.014 0.000 1.334 402 V CA -0.070 62.124 62.300 -0.177 0.000 1.249 402 V CB -0.961 30.487 31.823 -0.626 0.000 1.371 402 V HN 0.177 nan 8.190 nan 0.000 0.498 403 K N 1.309 121.857 120.400 0.247 0.000 2.482 403 K HA 0.441 4.760 4.320 -0.000 0.000 0.257 403 K C -0.730 176.132 176.600 0.438 0.000 0.969 403 K CA -1.001 55.435 56.287 0.249 0.000 0.842 403 K CB 2.352 34.898 32.500 0.076 0.000 1.359 403 K HN 0.367 nan 8.250 nan 0.000 0.441 404 D N 0.851 121.513 120.400 0.437 0.000 2.400 404 D HA -0.032 4.608 4.640 -0.000 0.000 0.238 404 D C 0.989 177.370 176.300 0.136 0.000 1.157 404 D CA 0.513 54.684 54.000 0.286 0.000 0.889 404 D CB 0.837 41.792 40.800 0.258 0.000 1.199 404 D HN 0.419 nan 8.370 nan 0.000 0.436 405 E N 1.324 121.577 120.200 0.088 0.000 2.085 405 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 405 E C 1.895 178.544 176.600 0.083 0.000 0.994 405 E CA 1.253 57.703 56.400 0.083 0.000 0.801 405 E CB -0.109 29.631 29.700 0.066 0.000 0.743 405 E HN 0.567 nan 8.360 nan 0.000 0.453 406 A N 0.409 123.277 122.820 0.080 0.000 2.076 406 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 406 A C 2.205 179.829 177.584 0.067 0.000 1.160 406 A CA 1.819 53.899 52.037 0.071 0.000 0.653 406 A CB -0.536 18.506 19.000 0.070 0.000 0.801 406 A HN 0.203 nan 8.150 nan 0.000 0.455 407 T N -0.098 114.497 114.554 0.069 0.000 2.939 407 T HA 0.091 4.441 4.350 -0.000 0.000 0.254 407 T C 1.785 176.500 174.700 0.026 0.000 1.041 407 T CA 0.937 63.068 62.100 0.053 0.000 1.142 407 T CB -0.254 68.648 68.868 0.058 0.000 0.874 407 T HN 0.354 nan 8.240 nan 0.000 0.452 408 L N 0.802 122.025 121.223 -0.000 0.000 2.083 408 L HA -0.146 4.193 4.340 -0.000 0.000 0.209 408 L C 2.861 179.728 176.870 -0.006 0.000 1.083 408 L CA 1.295 56.072 54.840 -0.105 0.000 0.752 408 L CB -0.532 41.370 42.059 -0.262 0.000 0.899 408 L HN 0.243 nan 8.230 nan 0.000 0.433 409 Q N -0.114 119.731 119.800 0.074 0.000 2.030 409 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 409 Q C 2.364 178.403 176.000 0.066 0.000 0.986 409 Q CA 2.310 58.167 55.803 0.089 0.000 0.843 409 Q CB -0.324 28.462 28.738 0.080 0.000 0.904 409 Q HN 0.513 nan 8.270 nan 0.000 0.420 410 A N 0.243 123.096 122.820 0.056 0.000 1.908 410 A HA -0.251 4.068 4.320 -0.000 0.000 0.218 410 A C 2.054 179.674 177.584 0.060 0.000 1.181 410 A CA 1.738 53.808 52.037 0.056 0.000 0.627 410 A CB -0.731 18.300 19.000 0.053 0.000 0.818 410 A HN 0.557 nan 8.150 nan 0.000 0.445 411 M N -0.427 119.201 119.600 0.048 0.000 2.082 411 M HA -0.241 4.239 4.480 -0.000 0.000 0.258 411 M C 1.560 177.895 176.300 0.057 0.000 1.071 411 M CA 2.575 57.904 55.300 0.049 0.000 1.103 411 M CB -0.595 32.004 32.600 -0.002 0.000 1.307 411 M HN 0.380 nan 8.290 nan 0.000 0.409 412 D N 0.207 120.639 120.400 0.053 0.000 2.133 412 D HA -0.213 4.426 4.640 -0.000 0.000 0.192 412 D C 1.887 178.233 176.300 0.076 0.000 1.001 412 D CA 1.521 55.566 54.000 0.074 0.000 0.844 412 D CB -0.481 40.387 40.800 0.113 0.000 0.944 412 D HN 0.371 nan 8.370 nan 0.000 0.447 413 E N 0.874 121.118 120.200 0.073 0.000 2.070 413 E HA -0.164 4.185 4.350 -0.000 0.000 0.197 413 E C 1.927 178.581 176.600 0.090 0.000 1.004 413 E CA 1.059 57.502 56.400 0.072 0.000 0.805 413 E CB -0.046 29.691 29.700 0.062 0.000 0.744 413 E HN 0.141 nan 8.360 nan 0.000 0.451 414 K N -0.102 120.360 120.400 0.102 0.000 2.057 414 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 414 K C 2.378 179.107 176.600 0.215 0.000 1.049 414 K CA 0.775 57.143 56.287 0.136 0.000 0.931 414 K CB -0.456 32.125 32.500 0.135 0.000 0.714 414 K HN 0.247 nan 8.250 nan 0.000 0.440 415 L N 0.315 121.647 121.223 0.181 0.000 2.056 415 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 415 L C 2.687 179.631 176.870 0.123 0.000 1.078 415 L CA 1.121 56.053 54.840 0.154 0.000 0.749 415 L CB -0.290 41.796 42.059 0.046 0.000 0.901 415 L HN 0.154 nan 8.230 nan 0.000 0.433 416 R N 0.201 120.760 120.500 0.100 0.000 2.081 416 R HA -0.210 4.130 4.340 -0.000 0.000 0.235 416 R C 2.314 178.686 176.300 0.119 0.000 1.131 416 R CA 1.589 57.740 56.100 0.085 0.000 0.960 416 R CB -0.214 30.125 30.300 0.064 0.000 0.856 416 R HN 0.239 nan 8.270 nan 0.000 0.436 417 K N 0.241 120.725 120.400 0.138 0.000 2.026 417 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 417 K C 1.944 178.678 176.600 0.223 0.000 1.048 417 K CA 1.515 57.888 56.287 0.142 0.000 0.929 417 K CB -0.319 32.245 32.500 0.108 0.000 0.713 417 K HN 0.194 nan 8.250 nan 0.000 0.439 418 W N 2.397 123.721 121.300 0.040 0.000 2.354 418 W HA -0.156 4.504 4.660 -0.000 0.000 0.315 418 W C 1.696 178.270 176.519 0.091 0.000 1.206 418 W CA 1.436 58.816 57.345 0.059 0.000 1.290 418 W CB -0.731 28.769 29.460 0.066 0.000 1.152 418 W HN 0.042 nan 8.180 nan 0.000 0.489 419 K N 0.484 121.047 120.400 0.272 0.000 2.059 419 K HA -0.180 4.140 4.320 -0.000 0.000 0.212 419 K C 1.018 177.709 176.600 0.152 0.000 1.050 419 K CA 1.947 58.298 56.287 0.107 0.000 0.927 419 K CB -1.007 31.510 32.500 0.028 0.000 0.714 419 K HN 0.065 nan 8.250 nan 0.000 0.447 420 V N 1.763 121.767 119.914 0.150 0.000 2.358 420 V HA 0.029 4.149 4.120 -0.000 0.000 0.234 420 V C 0.115 176.304 176.094 0.159 0.000 1.239 420 V CA 0.190 62.566 62.300 0.125 0.000 1.343 420 V CB -1.015 30.866 31.823 0.096 0.000 1.377 420 V HN 0.270 nan 8.190 nan 0.000 0.487 421 E N 0.000 120.301 120.200 0.168 0.000 2.725 421 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 421 E CA 0.000 56.518 56.400 0.197 0.000 0.976 421 E CB 0.000 29.878 29.700 0.297 0.000 0.812 421 E HN 0.000 nan 8.360 nan 0.000 0.440