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 2vrq_1_A DATA FIRST_RESID 4 DATA SEQUENCE ASRVVVNADR VKGTINRNIY GHFSEHLGRC IYEGLWVGED SPIPNTNGIR DATA SEQUENCE NDVLEALKQM KIPVLRWPGG cFADEYHWKD GVGPREKRKR MVNTHWGGVI DATA SEQUENCE ENNHFGTHEF MMLCELLGCE PYISGNVGSG TVQEMSEWVE YITFDGESPM DATA SEQUENCE ANWRRENGRE KPWRIKYWGV GNQNWGcGGN MRAEYYADLY RQFQTYLRNY DATA SEQUENCE GDNKLHKIAC GANTADYHWT EVLMKQAAPF MHGLSLHYYT VPGPWEKKGP DATA SEQUENCE ATGFTTDEWW VTLKKALFMD RLVTKHSAIM DVYDPDKRID LIVDEWGTWY DATA SEQUENCE DVEPGTNPGF LYQQNSIRDA LVAGATLHIF HRHCDRVRMA NIAQLVNVLQ DATA SEQUENCE SVILTEGERM LLTPTYHVFN MFKVHQDAEL LDTWESVERT GPEGELPKVS DATA SEQUENCE VSASRAADGK IHISLCNLDF ETGASVDIEL RGLNGGVSAT GTTLTSGRID DATA SEQUENCE GHNTFDEPER VKPAPFRDFK LEGGHLNASL PPMSVTVLEL TAG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.614 177.584 0.050 0.000 1.274 4 A CA 0.000 52.065 52.037 0.047 0.000 0.836 4 A CB 0.000 19.029 19.000 0.049 0.000 0.831 5 S N 0.328 116.063 115.700 0.058 0.000 2.565 5 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 5 S C 0.150 174.789 174.600 0.065 0.000 1.326 5 S CA -0.151 58.085 58.200 0.060 0.000 1.045 5 S CB 0.558 63.797 63.200 0.064 0.000 0.918 5 S HN 0.561 nan 8.310 nan 0.000 0.505 6 R N 1.264 121.805 120.500 0.067 0.000 2.494 6 R HA 0.701 5.041 4.340 -0.000 0.000 0.305 6 R C -1.399 174.950 176.300 0.083 0.000 0.959 6 R CA -0.527 55.620 56.100 0.079 0.000 0.864 6 R CB 1.573 31.922 30.300 0.082 0.000 1.159 6 R HN 0.369 nan 8.270 nan 0.000 0.446 7 V N 3.201 123.162 119.914 0.079 0.000 2.686 7 V HA 0.392 4.512 4.120 -0.000 0.000 0.306 7 V C -0.794 175.325 176.094 0.041 0.000 1.065 7 V CA -0.885 61.450 62.300 0.059 0.000 0.894 7 V CB 2.285 34.123 31.823 0.024 0.000 1.004 7 V HN 0.442 nan 8.190 nan 0.000 0.424 8 V N 5.148 125.079 119.914 0.028 0.000 2.357 8 V HA 0.405 4.525 4.120 -0.000 0.000 0.284 8 V C -0.153 175.781 176.094 -0.266 0.000 1.018 8 V CA -0.586 61.667 62.300 -0.079 0.000 0.841 8 V CB 1.796 33.630 31.823 0.018 0.000 0.991 8 V HN 0.621 nan 8.190 nan 0.000 0.437 9 V N 5.335 125.106 119.914 -0.239 0.000 2.364 9 V HA 0.326 4.446 4.120 -0.000 0.000 0.272 9 V C 0.347 176.246 176.094 -0.325 0.000 1.036 9 V CA -0.641 61.497 62.300 -0.270 0.000 0.880 9 V CB 1.204 32.920 31.823 -0.177 0.000 0.991 9 V HN 0.805 nan 8.190 nan 0.000 0.460 10 N N 4.346 122.795 118.700 -0.418 0.000 2.719 10 N HA 0.247 4.987 4.740 -0.000 0.000 0.243 10 N C 1.042 176.417 175.510 -0.225 0.000 1.104 10 N CA 0.040 52.874 53.050 -0.361 0.000 0.981 10 N CB 1.793 39.994 38.487 -0.477 0.000 1.290 10 N HN 0.797 nan 8.380 nan 0.000 0.513 11 A N 1.315 124.031 122.820 -0.173 0.000 2.172 11 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 11 A C 1.323 178.847 177.584 -0.100 0.000 1.154 11 A CA 0.989 52.950 52.037 -0.127 0.000 0.701 11 A CB 0.010 18.944 19.000 -0.110 0.000 0.789 11 A HN 0.557 nan 8.150 nan 0.000 0.465 12 D N -1.563 118.778 120.400 -0.099 0.000 2.363 12 D HA 0.108 4.748 4.640 -0.000 0.000 0.214 12 D C 0.492 176.753 176.300 -0.065 0.000 1.093 12 D CA -0.162 53.796 54.000 -0.070 0.000 0.837 12 D CB -0.094 40.672 40.800 -0.058 0.000 0.948 12 D HN 0.208 nan 8.370 nan 0.000 0.507 13 R N 0.906 121.355 120.500 -0.085 0.000 2.358 13 R HA 0.384 4.724 4.340 -0.000 0.000 0.309 13 R C -1.605 174.654 176.300 -0.069 0.000 1.026 13 R CA -0.590 55.468 56.100 -0.069 0.000 0.909 13 R CB 0.917 31.168 30.300 -0.082 0.000 1.153 13 R HN -0.192 nan 8.270 nan 0.000 0.515 14 V N 6.157 126.042 119.914 -0.048 0.000 2.461 14 V HA 0.230 4.350 4.120 -0.000 0.000 0.275 14 V C 0.747 176.820 176.094 -0.036 0.000 1.047 14 V CA -0.456 61.817 62.300 -0.045 0.000 0.955 14 V CB 1.587 33.389 31.823 -0.034 0.000 0.988 14 V HN 0.707 nan 8.190 nan 0.000 0.471 15 K N 2.982 123.357 120.400 -0.042 0.000 2.379 15 K HA 0.374 4.694 4.320 -0.000 0.000 0.194 15 K C 0.749 177.333 176.600 -0.027 0.000 1.031 15 K CA 0.742 57.009 56.287 -0.032 0.000 1.037 15 K CB 0.856 33.331 32.500 -0.041 0.000 0.824 15 K HN 0.946 nan 8.250 nan 0.000 0.516 16 G N -0.218 108.564 108.800 -0.030 0.000 2.356 16 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.288 16 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.288 16 G C -1.462 173.422 174.900 -0.027 0.000 1.302 16 G CA -0.900 44.187 45.100 -0.022 0.000 0.887 16 G HN -0.125 nan 8.290 nan 0.000 0.521 17 T N 0.940 115.484 114.554 -0.017 0.000 2.794 17 T HA 0.546 4.896 4.350 -0.000 0.000 0.280 17 T C 0.503 175.193 174.700 -0.018 0.000 0.987 17 T CA -0.185 61.905 62.100 -0.016 0.000 0.993 17 T CB 1.093 69.962 68.868 0.001 0.000 0.939 17 T HN 0.480 nan 8.240 nan 0.000 0.449 18 I N 4.146 124.692 120.570 -0.040 0.000 2.311 18 I HA 0.088 4.258 4.170 -0.000 0.000 0.297 18 I C 1.035 177.178 176.117 0.043 0.000 1.131 18 I CA -0.507 60.774 61.300 -0.031 0.000 1.289 18 I CB -0.048 37.859 38.000 -0.155 0.000 1.446 18 I HN 0.525 nan 8.210 nan 0.000 0.524 19 N N 6.284 125.016 118.700 0.053 0.000 2.357 19 N HA -0.083 4.657 4.740 -0.000 0.000 0.257 19 N C 1.444 177.035 175.510 0.134 0.000 1.250 19 N CA 0.242 53.333 53.050 0.069 0.000 0.862 19 N CB 0.809 39.318 38.487 0.036 0.000 1.066 19 N HN 0.574 nan 8.380 nan 0.000 0.468 20 R N 2.943 123.525 120.500 0.135 0.000 2.193 20 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 20 R C 0.573 177.023 176.300 0.250 0.000 1.110 20 R CA 1.059 57.278 56.100 0.197 0.000 0.988 20 R CB -0.210 30.168 30.300 0.130 0.000 0.871 20 R HN 0.424 nan 8.270 nan 0.000 0.458 21 N N 1.196 119.978 118.700 0.138 0.000 2.520 21 N HA -0.007 4.733 4.740 -0.000 0.000 0.185 21 N C 1.572 177.114 175.510 0.053 0.000 1.068 21 N CA 0.697 53.788 53.050 0.068 0.000 0.911 21 N CB -0.099 38.336 38.487 -0.087 0.000 0.961 21 N HN 0.330 nan 8.380 nan 0.000 0.446 22 I N -0.318 120.300 120.570 0.080 0.000 2.423 22 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 22 I C 0.529 176.634 176.117 -0.020 0.000 1.151 22 I CA 1.129 62.408 61.300 -0.035 0.000 1.421 22 I CB -0.154 37.856 38.000 0.016 0.000 1.079 22 I HN 0.114 nan 8.210 nan 0.000 0.431 23 Y N 0.834 121.273 120.300 0.232 0.000 2.596 23 Y HA 0.272 4.822 4.550 -0.000 0.000 0.316 23 Y C 1.420 177.481 175.900 0.268 0.000 1.156 23 Y CA -0.567 57.759 58.100 0.377 0.000 1.300 23 Y CB -0.404 38.283 38.460 0.378 0.000 1.130 23 Y HN -0.022 nan 8.280 nan 0.000 0.518 24 G N -0.625 108.290 108.800 0.192 0.000 2.599 24 G HA2 0.273 4.233 3.960 -0.000 0.000 0.264 24 G HA3 0.273 4.233 3.960 -0.000 0.000 0.264 24 G C -0.489 174.270 174.900 -0.235 0.000 1.200 24 G CA -0.199 44.953 45.100 0.085 0.000 0.896 24 G HN 0.308 nan 8.290 nan 0.000 0.536 25 H N -1.470 117.653 119.070 0.089 0.000 2.908 25 H HA 0.555 5.111 4.556 -0.000 0.000 0.350 25 H C -1.682 173.721 175.328 0.125 0.000 1.217 25 H CA -0.393 55.660 56.048 0.009 0.000 1.168 25 H CB 2.441 32.149 29.762 -0.091 0.000 1.891 25 H HN 0.389 nan 8.280 nan 0.000 0.566 26 F N 1.620 121.565 119.950 -0.008 0.000 2.588 26 F HA 0.340 4.867 4.527 -0.000 0.000 0.318 26 F C -1.371 174.363 175.800 -0.111 0.000 1.155 26 F CA -1.000 56.951 58.000 -0.081 0.000 0.967 26 F CB 1.552 40.454 39.000 -0.163 0.000 1.236 26 F HN 0.378 nan 8.300 nan 0.000 0.455 27 S N 4.483 120.070 115.700 -0.189 0.000 2.707 27 S HA 0.523 4.993 4.470 -0.000 0.000 0.312 27 S C -0.977 173.397 174.600 -0.378 0.000 1.116 27 S CA -0.707 57.250 58.200 -0.404 0.000 1.078 27 S CB 1.609 64.700 63.200 -0.182 0.000 0.997 27 S HN 0.846 nan 8.310 nan 0.000 0.477 28 E N 1.928 121.725 120.200 -0.673 0.000 2.250 28 E HA 0.205 4.555 4.350 -0.000 0.000 0.269 28 E C -0.535 175.764 176.600 -0.502 0.000 1.018 28 E CA -0.813 55.307 56.400 -0.466 0.000 0.873 28 E CB 0.753 30.148 29.700 -0.508 0.000 1.134 28 E HN 0.773 nan 8.360 nan 0.000 0.403 29 H N 3.881 122.516 119.070 -0.725 0.000 3.356 29 H HA 0.175 4.731 4.556 -0.000 0.000 0.260 29 H C -0.537 174.406 175.328 -0.642 0.000 1.570 29 H CA 0.177 55.724 56.048 -0.835 0.000 1.547 29 H CB -0.255 28.571 29.762 -1.560 0.000 1.774 29 H HN 0.252 nan 8.280 nan 0.000 0.542 30 L N 1.862 122.760 121.223 -0.540 0.000 2.543 30 L HA 0.394 4.734 4.340 -0.000 0.000 0.265 30 L C 0.614 177.106 176.870 -0.630 0.000 0.945 30 L CA -0.118 54.348 54.840 -0.623 0.000 0.869 30 L CB 1.403 42.832 42.059 -1.051 0.000 1.294 30 L HN 0.737 nan 8.230 nan 0.000 0.405 31 G N 4.217 112.544 108.800 -0.789 0.000 2.634 31 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.309 31 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.309 31 G C 0.351 174.840 174.900 -0.685 0.000 1.265 31 G CA 0.686 45.084 45.100 -1.170 0.000 0.998 31 G HN 0.750 nan 8.290 nan 0.000 0.551 32 R N -0.505 119.756 120.500 -0.397 0.000 2.696 32 R HA 0.371 4.711 4.340 -0.000 0.000 0.355 32 R C 1.835 177.980 176.300 -0.258 0.000 1.138 32 R CA 0.309 56.266 56.100 -0.238 0.000 1.059 32 R CB -0.283 29.947 30.300 -0.116 0.000 1.380 32 R HN 0.511 nan 8.270 nan 0.000 0.578 33 C N 0.253 119.334 119.300 -0.365 0.000 2.476 33 C HA 0.009 4.469 4.460 -0.000 0.000 0.278 33 C C 2.180 176.893 174.990 -0.462 0.000 1.274 33 C CA 0.545 59.324 59.018 -0.398 0.000 1.713 33 C CB -0.223 27.222 27.740 -0.491 0.000 2.039 33 C HN 0.440 nan 8.230 nan 0.000 0.484 34 I N -0.740 119.462 120.570 -0.613 0.000 2.364 34 I HA 0.107 4.277 4.170 -0.000 0.000 0.241 34 I C 0.460 176.138 176.117 -0.732 0.000 1.082 34 I CA 0.778 61.543 61.300 -0.891 0.000 1.401 34 I CB -1.661 35.497 38.000 -1.403 0.000 1.126 34 I HN 0.210 nan 8.210 nan 0.000 0.429 35 Y N 1.906 122.036 120.300 -0.284 0.000 2.402 35 Y HA 0.169 4.719 4.550 -0.000 0.000 0.333 35 Y C 1.463 177.295 175.900 -0.114 0.000 1.076 35 Y CA 0.160 58.197 58.100 -0.105 0.000 1.299 35 Y CB 0.434 38.852 38.460 -0.070 0.000 1.197 35 Y HN 0.225 nan 8.280 nan 0.000 0.517 36 E N 1.235 121.472 120.200 0.062 0.000 4.934 36 E HA -0.292 4.058 4.350 -0.000 0.000 0.166 36 E C 1.768 178.318 176.600 -0.084 0.000 1.091 36 E CA 1.148 57.532 56.400 -0.026 0.000 2.341 36 E CB -1.400 28.279 29.700 -0.035 0.000 1.744 36 E HN 0.973 nan 8.360 nan 0.000 0.492 37 G N 0.194 108.918 108.800 -0.126 0.000 2.422 37 G HA2 0.051 4.011 3.960 -0.000 0.000 0.218 37 G HA3 0.051 4.011 3.960 -0.000 0.000 0.218 37 G C 1.446 176.251 174.900 -0.159 0.000 1.140 37 G CA 1.268 46.280 45.100 -0.148 0.000 0.775 37 G HN 0.280 nan 8.290 nan 0.000 0.545 38 L N -3.014 118.098 121.223 -0.185 0.000 2.603 38 L HA 0.355 4.695 4.340 -0.000 0.000 0.189 38 L C 0.497 177.329 176.870 -0.064 0.000 1.082 38 L CA -0.558 54.185 54.840 -0.162 0.000 0.921 38 L CB 0.397 42.284 42.059 -0.287 0.000 1.694 38 L HN 0.184 nan 8.230 nan 0.000 0.491 39 W N 2.657 123.791 121.300 -0.277 0.000 2.387 39 W HA 0.349 5.009 4.660 -0.000 0.000 0.310 39 W C 0.428 176.954 176.519 0.012 0.000 1.181 39 W CA -0.134 57.155 57.345 -0.093 0.000 1.333 39 W CB 1.410 30.809 29.460 -0.101 0.000 1.286 39 W HN -0.010 nan 8.180 nan 0.000 0.455 40 V N 3.838 123.470 119.914 -0.470 0.000 3.621 40 V HA 0.485 4.605 4.120 -0.000 0.000 0.263 40 V C 0.720 176.531 176.094 -0.473 0.000 1.272 40 V CA 0.666 62.765 62.300 -0.334 0.000 1.080 40 V CB -0.347 31.342 31.823 -0.222 0.000 0.816 40 V HN 0.866 nan 8.190 nan 0.000 0.451 41 G N 0.819 108.995 108.800 -1.040 0.000 2.712 41 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 41 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 41 G C 0.048 174.693 174.900 -0.425 0.000 1.181 41 G CA 0.168 44.871 45.100 -0.661 0.000 0.762 41 G HN 0.448 nan 8.290 nan 0.000 0.641 42 E N -0.265 119.784 120.200 -0.253 0.000 2.204 42 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 42 E C 1.244 177.792 176.600 -0.087 0.000 0.990 42 E CA 1.341 57.654 56.400 -0.145 0.000 0.821 42 E CB 0.079 29.757 29.700 -0.037 0.000 0.750 42 E HN 0.480 nan 8.360 nan 0.000 0.477 43 D N 0.365 120.732 120.400 -0.054 0.000 2.325 43 D HA 0.006 4.646 4.640 -0.000 0.000 0.225 43 D C -0.040 176.234 176.300 -0.045 0.000 1.096 43 D CA 0.106 54.088 54.000 -0.030 0.000 0.844 43 D CB 0.425 41.227 40.800 0.004 0.000 0.925 43 D HN -0.034 nan 8.370 nan 0.000 0.513 44 S N 1.838 117.489 115.700 -0.081 0.000 2.564 44 S HA 0.110 4.580 4.470 -0.000 0.000 0.278 44 S C -1.203 173.356 174.600 -0.068 0.000 1.333 44 S CA -1.139 57.012 58.200 -0.081 0.000 1.048 44 S CB 1.310 64.437 63.200 -0.122 0.000 0.900 44 S HN -0.042 nan 8.310 nan 0.000 0.505 45 P HA 0.041 nan 4.420 nan 0.000 0.230 45 P C 0.080 177.346 177.300 -0.057 0.000 1.158 45 P CA 0.579 63.650 63.100 -0.049 0.000 0.769 45 P CB -0.151 31.524 31.700 -0.042 0.000 0.807 46 I N 2.397 122.924 120.570 -0.071 0.000 2.517 46 I HA 0.094 4.264 4.170 -0.000 0.000 0.285 46 I C -1.986 174.084 176.117 -0.078 0.000 1.106 46 I CA -2.230 59.025 61.300 -0.076 0.000 1.402 46 I CB 0.030 37.976 38.000 -0.090 0.000 1.399 46 I HN -0.223 nan 8.210 nan 0.000 0.535 47 P HA -0.017 nan 4.420 nan 0.000 0.262 47 P C -1.028 176.229 177.300 -0.070 0.000 1.182 47 P CA 0.269 63.334 63.100 -0.058 0.000 0.761 47 P CB 0.249 31.922 31.700 -0.044 0.000 0.795 48 N N 0.455 119.111 118.700 -0.074 0.000 2.708 48 N HA 0.302 5.042 4.740 -0.000 0.000 0.257 48 N C -1.546 173.924 175.510 -0.068 0.000 1.373 48 N CA -0.734 52.263 53.050 -0.090 0.000 0.843 48 N CB 1.424 39.822 38.487 -0.149 0.000 1.503 48 N HN 0.016 nan 8.380 nan 0.000 0.504 49 T N 1.546 116.066 114.554 -0.056 0.000 2.821 49 T HA 0.288 4.638 4.350 -0.000 0.000 0.307 49 T C -0.220 174.471 174.700 -0.015 0.000 1.034 49 T CA -0.360 61.725 62.100 -0.024 0.000 0.953 49 T CB -0.292 68.575 68.868 -0.003 0.000 0.968 49 T HN 0.632 nan 8.240 nan 0.000 0.462 50 N N 2.392 121.085 118.700 -0.012 0.000 2.708 50 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 50 N C 1.140 176.623 175.510 -0.045 0.000 1.097 50 N CA 1.590 54.656 53.050 0.025 0.000 0.710 50 N CB -1.480 37.067 38.487 0.099 0.000 1.032 50 N HN 1.219 nan 8.380 nan 0.000 0.551 51 G N -1.627 107.017 108.800 -0.261 0.000 2.213 51 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.226 51 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.226 51 G C 0.003 174.463 174.900 -0.733 0.000 0.992 51 G CA 0.148 44.777 45.100 -0.784 0.000 0.632 51 G HN 0.443 nan 8.290 nan 0.000 0.511 52 I N 2.713 123.141 120.570 -0.236 0.000 2.336 52 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 52 I C 1.159 177.218 176.117 -0.097 0.000 0.991 52 I CA -1.096 60.160 61.300 -0.073 0.000 1.227 52 I CB 1.172 39.227 38.000 0.092 0.000 1.366 52 I HN 0.303 nan 8.210 nan 0.000 0.466 53 R N 4.682 125.117 120.500 -0.107 0.000 2.570 53 R HA 0.126 4.466 4.340 -0.000 0.000 0.277 53 R C 0.021 176.282 176.300 -0.065 0.000 1.039 53 R CA -0.386 55.657 56.100 -0.095 0.000 1.065 53 R CB 0.366 30.608 30.300 -0.097 0.000 0.964 53 R HN 0.515 nan 8.270 nan 0.000 0.428 54 N N 2.276 120.941 118.700 -0.057 0.000 2.188 54 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 54 N C 0.875 176.361 175.510 -0.039 0.000 1.018 54 N CA 1.772 54.797 53.050 -0.041 0.000 0.858 54 N CB -0.320 38.147 38.487 -0.035 0.000 0.989 54 N HN 0.764 nan 8.380 nan 0.000 0.426 55 D N 0.764 121.136 120.400 -0.046 0.000 2.104 55 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 55 D C 1.914 178.177 176.300 -0.061 0.000 0.994 55 D CA 0.957 54.928 54.000 -0.049 0.000 0.830 55 D CB -0.830 39.941 40.800 -0.048 0.000 0.959 55 D HN 0.064 nan 8.370 nan 0.000 0.452 56 V N 0.784 120.658 119.914 -0.066 0.000 2.295 56 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 56 V C 2.869 178.929 176.094 -0.056 0.000 1.049 56 V CA 1.243 63.497 62.300 -0.075 0.000 1.024 56 V CB -0.697 31.075 31.823 -0.085 0.000 0.648 56 V HN 0.215 nan 8.190 nan 0.000 0.447 57 L N -0.240 120.957 121.223 -0.043 0.000 1.990 57 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 57 L C 2.877 179.741 176.870 -0.011 0.000 1.072 57 L CA 1.688 56.513 54.840 -0.025 0.000 0.755 57 L CB -0.602 41.447 42.059 -0.017 0.000 0.889 57 L HN 0.364 nan 8.230 nan 0.000 0.432 58 E N -0.143 120.050 120.200 -0.012 0.000 2.077 58 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 58 E C 2.212 178.826 176.600 0.024 0.000 0.989 58 E CA 1.356 57.759 56.400 0.004 0.000 0.800 58 E CB -0.306 29.393 29.700 -0.001 0.000 0.746 58 E HN 0.489 nan 8.360 nan 0.000 0.452 59 A N 1.212 124.034 122.820 0.003 0.000 1.902 59 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 59 A C 2.392 180.076 177.584 0.167 0.000 1.181 59 A CA 1.113 53.172 52.037 0.038 0.000 0.623 59 A CB -0.683 18.226 19.000 -0.153 0.000 0.818 59 A HN 0.186 nan 8.150 nan 0.000 0.443 60 L N -1.042 120.225 121.223 0.073 0.000 2.093 60 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 60 L C 2.526 179.420 176.870 0.038 0.000 1.085 60 L CA 1.518 56.384 54.840 0.045 0.000 0.755 60 L CB -0.438 41.596 42.059 -0.041 0.000 0.904 60 L HN 0.348 nan 8.230 nan 0.000 0.435 61 K N -0.249 120.173 120.400 0.037 0.000 2.057 61 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 61 K C 2.169 178.799 176.600 0.051 0.000 1.049 61 K CA 1.266 57.574 56.287 0.036 0.000 0.931 61 K CB -0.085 32.431 32.500 0.027 0.000 0.714 61 K HN 0.072 nan 8.250 nan 0.000 0.440 62 Q N 0.926 120.773 119.800 0.079 0.000 2.084 62 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 62 Q C 1.874 177.917 176.000 0.071 0.000 0.978 62 Q CA 1.532 57.391 55.803 0.093 0.000 0.844 62 Q CB -0.048 28.780 28.738 0.151 0.000 0.898 62 Q HN 0.270 nan 8.270 nan 0.000 0.426 63 M N -0.152 119.486 119.600 0.063 0.000 2.460 63 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 63 M C -0.458 175.852 176.300 0.018 0.000 1.071 63 M CA 1.089 56.364 55.300 -0.042 0.000 1.096 63 M CB 0.187 32.691 32.600 -0.160 0.000 1.408 63 M HN 0.094 nan 8.290 nan 0.000 0.463 64 K N 1.554 121.976 120.400 0.036 0.000 3.239 64 K HA -0.159 4.161 4.320 -0.000 0.000 0.270 64 K C -0.181 176.477 176.600 0.096 0.000 1.049 64 K CA 0.321 56.638 56.287 0.051 0.000 0.769 64 K CB -2.235 30.283 32.500 0.030 0.000 1.305 64 K HN 0.613 nan 8.250 nan 0.000 0.469 65 I N 1.550 122.173 120.570 0.088 0.000 2.828 65 I HA -0.043 4.127 4.170 -0.000 0.000 0.292 65 I C -0.844 175.368 176.117 0.157 0.000 1.206 65 I CA -1.099 60.289 61.300 0.146 0.000 1.420 65 I CB 0.858 38.886 38.000 0.047 0.000 1.368 65 I HN 0.141 nan 8.210 nan 0.000 0.556 66 P HA 0.067 nan 4.420 nan 0.000 0.224 66 P C 0.039 177.437 177.300 0.162 0.000 1.159 66 P CA 0.494 63.698 63.100 0.172 0.000 0.824 66 P CB 0.705 32.523 31.700 0.198 0.000 0.833 67 V N -0.067 119.959 119.914 0.187 0.000 3.077 67 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 67 V C -2.202 174.034 176.094 0.237 0.000 1.276 67 V CA -1.002 61.412 62.300 0.190 0.000 0.993 67 V CB 2.497 34.393 31.823 0.122 0.000 1.076 67 V HN -0.122 nan 8.190 nan 0.000 0.434 68 L N 5.466 126.861 121.223 0.287 0.000 2.406 68 L HA 0.689 5.029 4.340 -0.000 0.000 0.272 68 L C -0.469 176.663 176.870 0.437 0.000 0.980 68 L CA -0.249 54.795 54.840 0.339 0.000 0.831 68 L CB 1.712 43.955 42.059 0.306 0.000 1.253 68 L HN 0.827 nan 8.230 nan 0.000 0.406 69 R N 3.757 124.437 120.500 0.300 0.000 2.297 69 R HA 0.527 4.867 4.340 -0.000 0.000 0.308 69 R C -1.876 174.528 176.300 0.173 0.000 1.029 69 R CA -0.348 55.779 56.100 0.045 0.000 0.929 69 R CB 0.854 30.991 30.300 -0.271 0.000 1.046 69 R HN 0.780 nan 8.270 nan 0.000 0.461 70 W N 7.021 128.121 121.300 -0.334 0.000 3.248 70 W HA 0.338 4.998 4.660 -0.000 0.000 0.311 70 W C -2.489 173.778 176.519 -0.419 0.000 1.258 70 W CA -1.644 55.442 57.345 -0.431 0.000 1.191 70 W CB 1.930 30.751 29.460 -1.065 0.000 1.389 70 W HN 0.411 nan 8.180 nan 0.000 0.561 71 P HA 0.362 nan 4.420 nan 0.000 0.268 71 P C 0.101 177.185 177.300 -0.361 0.000 1.329 71 P CA 0.642 62.925 63.100 -1.361 0.000 0.899 71 P CB 1.526 32.096 31.700 -1.883 0.000 1.378 72 G N -1.278 107.445 108.800 -0.128 0.000 2.320 72 G HA2 0.395 4.355 3.960 -0.000 0.000 0.296 72 G HA3 0.395 4.355 3.960 -0.000 0.000 0.296 72 G C -0.008 174.957 174.900 0.108 0.000 1.306 72 G CA -0.146 45.068 45.100 0.190 0.000 0.836 72 G HN 0.065 nan 8.290 nan 0.000 0.517 73 G N -0.910 108.047 108.800 0.262 0.000 2.948 73 G HA2 0.209 4.169 3.960 -0.000 0.000 0.174 73 G HA3 0.209 4.169 3.960 -0.000 0.000 0.174 73 G C 1.753 176.718 174.900 0.109 0.000 1.839 73 G CA 1.422 46.592 45.100 0.117 0.000 0.908 73 G HN 1.036 nan 8.290 nan 0.000 0.419 74 c N -0.351 118.351 118.600 0.171 0.000 2.413 74 c HA -0.070 4.500 4.570 -0.000 0.000 0.276 74 c C 2.522 176.656 174.090 0.073 0.000 1.248 74 c CA 0.919 57.227 56.329 -0.035 0.000 1.742 74 c CB -1.391 40.891 42.510 -0.381 0.000 2.017 74 c HN 0.462 nan 8.230 nan 0.000 0.481 75 F N 2.301 122.330 119.950 0.133 0.000 2.202 75 F HA -0.118 4.409 4.527 -0.000 0.000 0.301 75 F C 2.282 178.047 175.800 -0.058 0.000 1.082 75 F CA 1.398 59.450 58.000 0.086 0.000 1.313 75 F CB -0.308 38.734 39.000 0.070 0.000 1.024 75 F HN 0.163 nan 8.300 nan 0.000 0.495 76 A N -0.510 122.297 122.820 -0.022 0.000 2.019 76 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 76 A C 1.399 178.896 177.584 -0.145 0.000 1.164 76 A CA 1.878 53.833 52.037 -0.137 0.000 0.644 76 A CB -0.814 18.110 19.000 -0.127 0.000 0.805 76 A HN 0.469 nan 8.150 nan 0.000 0.449 77 D N -0.932 119.385 120.400 -0.138 0.000 2.358 77 D HA 0.151 4.791 4.640 -0.000 0.000 0.224 77 D C 1.100 177.307 176.300 -0.156 0.000 1.123 77 D CA 0.218 54.142 54.000 -0.127 0.000 0.833 77 D CB 0.331 41.067 40.800 -0.107 0.000 0.946 77 D HN 0.604 nan 8.370 nan 0.000 0.505 78 E N -0.779 119.266 120.200 -0.258 0.000 2.514 78 E HA 0.016 4.366 4.350 -0.000 0.000 0.215 78 E C -0.215 176.036 176.600 -0.581 0.000 0.946 78 E CA -0.309 55.900 56.400 -0.319 0.000 1.038 78 E CB 0.685 30.254 29.700 -0.218 0.000 1.069 78 E HN 0.220 nan 8.360 nan 0.000 0.503 79 Y N 2.239 122.041 120.300 -0.830 0.000 2.359 79 Y HA 0.073 4.623 4.550 -0.000 0.000 0.330 79 Y C -0.315 175.113 175.900 -0.787 0.000 1.143 79 Y CA -0.339 57.247 58.100 -0.857 0.000 1.318 79 Y CB 0.381 38.370 38.460 -0.783 0.000 1.234 79 Y HN -0.025 nan 8.280 nan 0.000 0.522 80 H N 8.040 126.680 119.070 -0.716 0.000 2.718 80 H HA 0.001 4.557 4.556 -0.000 0.000 0.295 80 H C 0.714 175.341 175.328 -1.168 0.000 1.051 80 H CA -0.560 55.063 56.048 -0.709 0.000 1.260 80 H CB 0.152 29.650 29.762 -0.441 0.000 1.403 80 H HN 1.013 nan 8.280 nan 0.000 0.488 81 W N 4.126 124.640 121.300 -1.310 0.000 2.341 81 W HA -0.145 4.515 4.660 -0.000 0.000 0.283 81 W C 0.348 176.373 176.519 -0.823 0.000 1.215 81 W CA 0.412 56.854 57.345 -1.505 0.000 1.211 81 W CB -0.399 27.690 29.460 -2.286 0.000 1.131 81 W HN 0.319 nan 8.180 nan 0.000 0.552 82 K N 0.590 120.135 120.400 -1.426 0.000 2.283 82 K HA -0.134 4.186 4.320 -0.000 0.000 0.202 82 K C 1.360 177.687 176.600 -0.455 0.000 1.048 82 K CA 1.577 57.220 56.287 -1.073 0.000 0.948 82 K CB -0.270 31.700 32.500 -0.883 0.000 0.742 82 K HN -0.028 nan 8.250 nan 0.000 0.458 83 D N 0.237 120.398 120.400 -0.398 0.000 2.264 83 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 83 D C 1.529 177.809 176.300 -0.032 0.000 0.966 83 D CA 0.965 54.867 54.000 -0.164 0.000 0.864 83 D CB -0.043 40.684 40.800 -0.122 0.000 0.933 83 D HN 0.351 nan 8.370 nan 0.000 0.499 84 G N 0.221 109.004 108.800 -0.029 0.000 3.502 84 G HA2 0.319 4.279 3.960 -0.000 0.000 0.267 84 G HA3 0.319 4.279 3.960 -0.000 0.000 0.267 84 G C 0.419 175.386 174.900 0.112 0.000 1.090 84 G CA 0.000 45.200 45.100 0.165 0.000 0.795 84 G HN 0.203 nan 8.290 nan 0.000 0.535 85 V N -3.389 116.513 119.914 -0.021 0.000 3.046 85 V HA 1.016 5.136 4.120 -0.000 0.000 0.316 85 V C 0.383 176.445 176.094 -0.054 0.000 1.104 85 V CA -0.291 61.968 62.300 -0.067 0.000 1.006 85 V CB 1.262 32.930 31.823 -0.258 0.000 1.058 85 V HN 1.369 nan 8.190 nan 0.000 0.440 86 G N 1.899 110.661 108.800 -0.063 0.000 2.603 86 G HA2 0.021 3.981 3.960 -0.000 0.000 0.686 86 G HA3 0.021 3.981 3.960 -0.000 0.000 0.686 86 G C -3.142 171.766 174.900 0.013 0.000 1.286 86 G CA -0.460 44.672 45.100 0.053 0.000 0.871 86 G HN 0.975 nan 8.290 nan 0.000 0.568 87 P HA 0.116 nan 4.420 nan 0.000 0.258 87 P C 1.060 178.355 177.300 -0.008 0.000 1.172 87 P CA 0.195 63.306 63.100 0.018 0.000 0.762 87 P CB 0.527 32.251 31.700 0.041 0.000 0.764 88 R N 4.710 125.179 120.500 -0.053 0.000 2.105 88 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 88 R C 1.761 177.940 176.300 -0.201 0.000 1.135 88 R CA 1.475 57.480 56.100 -0.157 0.000 0.967 88 R CB -0.136 30.037 30.300 -0.211 0.000 0.861 88 R HN 0.501 nan 8.270 nan 0.000 0.442 89 E N 0.433 120.576 120.200 -0.095 0.000 2.478 89 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 89 E C 0.465 177.102 176.600 0.061 0.000 1.046 89 E CA 0.945 57.344 56.400 -0.002 0.000 0.870 89 E CB 0.184 29.904 29.700 0.032 0.000 0.818 89 E HN 0.223 nan 8.360 nan 0.000 0.527 90 K N 0.959 121.388 120.400 0.048 0.000 2.374 90 K HA 0.224 4.544 4.320 -0.000 0.000 0.202 90 K C 0.400 177.046 176.600 0.077 0.000 1.040 90 K CA -0.213 56.112 56.287 0.064 0.000 1.085 90 K CB 0.943 33.476 32.500 0.056 0.000 0.873 90 K HN 0.083 nan 8.250 nan 0.000 0.539 91 R N 1.637 122.193 120.500 0.094 0.000 2.641 91 R HA 0.152 4.492 4.340 -0.000 0.000 0.269 91 R C 0.222 176.592 176.300 0.117 0.000 1.074 91 R CA 0.003 56.168 56.100 0.110 0.000 1.133 91 R CB 0.630 31.015 30.300 0.141 0.000 1.029 91 R HN -0.069 nan 8.270 nan 0.000 0.488 92 K N 2.145 122.599 120.400 0.089 0.000 2.258 92 K HA 0.097 4.417 4.320 -0.000 0.000 0.264 92 K C 0.527 177.184 176.600 0.095 0.000 1.007 92 K CA -0.490 55.840 56.287 0.072 0.000 0.941 92 K CB 0.491 33.014 32.500 0.038 0.000 0.966 92 K HN 0.277 nan 8.250 nan 0.000 0.480 93 R N 1.031 121.576 120.500 0.075 0.000 2.828 93 R HA 0.380 4.720 4.340 -0.000 0.000 0.270 93 R C 0.427 176.782 176.300 0.091 0.000 1.244 93 R CA -0.160 55.986 56.100 0.076 0.000 1.143 93 R CB 0.085 30.416 30.300 0.051 0.000 1.128 93 R HN 0.686 nan 8.270 nan 0.000 0.587 94 M N -1.161 118.499 119.600 0.100 0.000 3.012 94 M HA 0.182 4.662 4.480 -0.000 0.000 0.272 94 M C -1.798 174.571 176.300 0.115 0.000 1.187 94 M CA -0.617 54.754 55.300 0.117 0.000 0.813 94 M CB 2.177 34.886 32.600 0.182 0.000 1.626 94 M HN 0.151 nan 8.290 nan 0.000 0.507 95 V N 3.126 123.106 119.914 0.109 0.000 2.313 95 V HA 0.281 4.400 4.120 -0.000 0.000 0.278 95 V C 0.078 176.260 176.094 0.146 0.000 1.017 95 V CA -0.692 61.669 62.300 0.101 0.000 0.823 95 V CB 0.939 32.794 31.823 0.053 0.000 1.010 95 V HN 0.731 nan 8.190 nan 0.000 0.443 96 N N 3.604 122.428 118.700 0.207 0.000 2.670 96 N HA -0.003 4.737 4.740 -0.000 0.000 0.296 96 N C 1.353 176.972 175.510 0.182 0.000 1.216 96 N CA 0.258 53.486 53.050 0.296 0.000 1.123 96 N CB 0.791 39.472 38.487 0.324 0.000 1.459 96 N HN 0.699 nan 8.380 nan 0.000 0.509 97 T N 1.077 115.670 114.554 0.065 0.000 2.684 97 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 97 T C 1.157 175.722 174.700 -0.226 0.000 1.036 97 T CA 1.495 63.527 62.100 -0.113 0.000 1.148 97 T CB -0.230 68.483 68.868 -0.257 0.000 0.863 97 T HN 0.627 nan 8.240 nan 0.000 0.436 98 H N -1.398 117.536 119.070 -0.225 0.000 2.470 98 H HA 0.105 4.661 4.556 -0.000 0.000 0.289 98 H C 0.029 174.913 175.328 -0.739 0.000 1.033 98 H CA 0.662 56.317 56.048 -0.655 0.000 1.331 98 H CB 0.105 29.217 29.762 -1.083 0.000 1.414 98 H HN 0.437 nan 8.280 nan 0.000 0.545 99 W N 0.195 121.642 121.300 0.245 0.000 2.165 99 W HA 0.455 5.114 4.660 -0.000 0.000 0.288 99 W C 0.505 177.186 176.519 0.271 0.000 0.900 99 W CA -0.087 57.388 57.345 0.217 0.000 1.914 99 W CB 0.945 30.473 29.460 0.113 0.000 2.091 99 W HN 0.234 nan 8.180 nan 0.000 0.399 100 G N 0.016 109.069 108.800 0.422 0.000 2.234 100 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.235 100 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.235 100 G C 1.059 176.093 174.900 0.223 0.000 0.997 100 G CA -0.048 45.282 45.100 0.384 0.000 0.623 100 G HN 1.389 nan 8.290 nan 0.000 0.514 101 G N -1.000 107.908 108.800 0.181 0.000 2.203 101 G HA2 0.064 4.024 3.960 -0.000 0.000 0.263 101 G HA3 0.064 4.024 3.960 -0.000 0.000 0.263 101 G C 1.107 176.083 174.900 0.126 0.000 1.012 101 G CA 1.685 46.851 45.100 0.110 0.000 0.749 101 G HN 2.289 nan 8.290 nan 0.000 0.512 102 V N -2.348 117.676 119.914 0.183 0.000 3.336 102 V HA 0.768 4.888 4.120 -0.000 0.000 0.304 102 V C 1.012 177.179 176.094 0.122 0.000 1.073 102 V CA -1.286 61.110 62.300 0.160 0.000 1.074 102 V CB 0.970 32.926 31.823 0.222 0.000 1.161 102 V HN 0.240 nan 8.190 nan 0.000 0.460 103 I N 1.278 121.898 120.570 0.083 0.000 2.342 103 I HA 0.443 4.613 4.170 -0.000 0.000 0.291 103 I C 0.072 176.210 176.117 0.035 0.000 1.010 103 I CA -0.014 61.323 61.300 0.062 0.000 1.308 103 I CB 0.898 38.919 38.000 0.034 0.000 1.400 103 I HN 0.878 nan 8.210 nan 0.000 0.488 104 E N 4.847 125.102 120.200 0.093 0.000 2.259 104 E HA 0.179 4.529 4.350 -0.000 0.000 0.281 104 E C 0.461 177.090 176.600 0.049 0.000 1.027 104 E CA -0.269 56.195 56.400 0.106 0.000 0.838 104 E CB 0.663 30.545 29.700 0.304 0.000 1.066 104 E HN 0.539 nan 8.360 nan 0.000 0.401 105 N N 3.593 122.234 118.700 -0.098 0.000 2.336 105 N HA -0.017 4.723 4.740 -0.000 0.000 0.189 105 N C -0.508 175.102 175.510 0.167 0.000 1.113 105 N CA 0.368 53.374 53.050 -0.073 0.000 0.858 105 N CB -0.398 37.859 38.487 -0.382 0.000 0.970 105 N HN 0.705 nan 8.380 nan 0.000 0.471 106 N N -0.762 118.116 118.700 0.297 0.000 2.713 106 N HA -0.257 4.483 4.740 -0.000 0.000 0.251 106 N C 0.166 175.933 175.510 0.428 0.000 1.117 106 N CA 1.010 54.311 53.050 0.419 0.000 0.770 106 N CB -1.471 37.207 38.487 0.318 0.000 1.137 106 N HN 0.565 nan 8.380 nan 0.000 0.566 107 H N -1.448 117.757 119.070 0.225 0.000 2.457 107 H HA -0.047 4.509 4.556 0.000 0.000 0.294 107 H C 0.307 175.500 175.328 -0.224 0.000 1.064 107 H CA 0.547 56.635 56.048 0.066 0.000 1.330 107 H CB 0.127 29.989 29.762 0.166 0.000 1.395 107 H HN 0.209 nan 8.280 nan 0.000 0.541 108 F N 1.790 121.680 119.950 -0.100 0.000 2.375 108 F HA 0.375 4.902 4.527 0.000 0.000 0.362 108 F C 0.550 176.462 175.800 0.187 0.000 1.129 108 F CA -0.331 57.484 58.000 -0.309 0.000 1.154 108 F CB 0.444 39.155 39.000 -0.482 0.000 1.205 108 F HN -0.056 nan 8.300 nan 0.000 0.513 109 G N 2.692 111.399 108.800 -0.156 0.000 3.222 109 G HA2 0.207 4.167 3.960 -0.000 0.000 0.263 109 G HA3 0.207 4.167 3.960 -0.000 0.000 0.263 109 G C 0.478 175.388 174.900 0.017 0.000 1.312 109 G CA -0.102 45.139 45.100 0.236 0.000 0.934 109 G HN 0.350 nan 8.290 nan 0.000 0.577 110 T N 0.162 114.932 114.554 0.359 0.000 2.665 110 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 110 T C 1.911 176.533 174.700 -0.129 0.000 1.035 110 T CA 1.925 64.174 62.100 0.249 0.000 1.151 110 T CB -0.466 68.725 68.868 0.539 0.000 0.862 110 T HN 0.476 nan 8.240 nan 0.000 0.438 111 H N 0.582 119.635 119.070 -0.028 0.000 2.389 111 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 111 H C 2.395 177.604 175.328 -0.200 0.000 1.081 111 H CA 1.343 57.392 56.048 0.001 0.000 1.345 111 H CB 0.080 29.959 29.762 0.194 0.000 1.393 111 H HN 0.403 nan 8.280 nan 0.000 0.520 112 E N 0.416 120.440 120.200 -0.293 0.000 2.152 112 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 112 E C 1.819 177.961 176.600 -0.762 0.000 0.983 112 E CA 0.427 56.497 56.400 -0.550 0.000 0.818 112 E CB -0.271 28.853 29.700 -0.959 0.000 0.758 112 E HN 0.325 nan 8.360 nan 0.000 0.467 113 F N 0.305 119.553 119.950 -1.170 0.000 2.163 113 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 113 F C 1.841 177.299 175.800 -0.570 0.000 1.094 113 F CA 1.013 58.421 58.000 -0.986 0.000 1.290 113 F CB -0.028 38.008 39.000 -1.606 0.000 1.017 113 F HN -0.030 nan 8.300 nan 0.000 0.483 114 M N 0.071 119.228 119.600 -0.738 0.000 2.159 114 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 114 M C 2.345 178.383 176.300 -0.436 0.000 1.063 114 M CA 1.565 56.396 55.300 -0.782 0.000 1.110 114 M CB -1.213 30.623 32.600 -1.273 0.000 1.374 114 M HN 0.395 nan 8.290 nan 0.000 0.411 115 M N -0.892 118.555 119.600 -0.255 0.000 2.132 115 M HA -0.210 4.270 4.480 -0.000 0.000 0.263 115 M C 1.999 178.239 176.300 -0.100 0.000 1.065 115 M CA 1.554 56.811 55.300 -0.071 0.000 1.122 115 M CB -0.265 32.353 32.600 0.031 0.000 1.365 115 M HN 0.268 nan 8.290 nan 0.000 0.411 116 L N 0.688 121.822 121.223 -0.148 0.000 2.012 116 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 116 L C 2.328 179.084 176.870 -0.190 0.000 1.073 116 L CA 2.051 56.837 54.840 -0.092 0.000 0.748 116 L CB -1.125 40.949 42.059 0.024 0.000 0.891 116 L HN 0.477 nan 8.230 nan 0.000 0.431 117 C N -0.168 118.893 119.300 -0.398 0.000 2.413 117 C HA -0.147 4.313 4.460 -0.000 0.000 0.276 117 C C 2.557 177.451 174.990 -0.160 0.000 1.248 117 C CA 1.081 59.901 59.018 -0.329 0.000 1.742 117 C CB -1.095 26.347 27.740 -0.496 0.000 2.017 117 C HN 0.617 nan 8.230 nan 0.000 0.481 118 E N 0.576 120.696 120.200 -0.133 0.000 2.106 118 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 118 E C 2.043 178.632 176.600 -0.020 0.000 0.984 118 E CA 0.905 57.280 56.400 -0.042 0.000 0.806 118 E CB -0.187 29.516 29.700 0.005 0.000 0.750 118 E HN 0.601 nan 8.360 nan 0.000 0.458 119 L N 0.467 121.676 121.223 -0.024 0.000 2.083 119 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 119 L C 2.192 179.058 176.870 -0.008 0.000 1.083 119 L CA 0.892 55.730 54.840 -0.004 0.000 0.752 119 L CB -0.153 41.910 42.059 0.007 0.000 0.899 119 L HN 0.184 nan 8.230 nan 0.000 0.433 120 L N -0.952 120.257 121.223 -0.024 0.000 2.341 120 L HA 0.093 4.432 4.340 -0.000 0.000 0.214 120 L C 1.511 178.381 176.870 -0.000 0.000 1.115 120 L CA 0.624 55.455 54.840 -0.015 0.000 0.820 120 L CB -0.463 41.578 42.059 -0.030 0.000 0.944 120 L HN 0.472 nan 8.230 nan 0.000 0.452 121 G N 0.352 109.150 108.800 -0.003 0.000 2.147 121 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 121 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 121 G C 0.252 175.166 174.900 0.024 0.000 1.005 121 G CA 0.186 45.294 45.100 0.013 0.000 0.713 121 G HN 0.478 nan 8.290 nan 0.000 0.515 122 C N -1.141 118.165 119.300 0.011 0.000 2.407 122 C HA 0.905 5.365 4.460 -0.000 0.000 0.366 122 C C 0.462 175.477 174.990 0.041 0.000 1.213 122 C CA -1.554 57.490 59.018 0.042 0.000 2.011 122 C CB 1.893 29.666 27.740 0.055 0.000 2.306 122 C HN 0.418 nan 8.230 nan 0.000 0.527 123 E N 2.532 122.798 120.200 0.109 0.000 2.331 123 E HA 0.381 4.731 4.350 -0.000 0.000 0.272 123 E C -2.339 174.367 176.600 0.177 0.000 1.036 123 E CA -1.208 55.285 56.400 0.154 0.000 0.864 123 E CB 1.029 30.900 29.700 0.284 0.000 1.035 123 E HN 0.583 nan 8.360 nan 0.000 0.408 124 P HA 0.102 nan 4.420 nan 0.000 0.284 124 P C -0.952 176.637 177.300 0.482 0.000 1.253 124 P CA -0.294 62.969 63.100 0.272 0.000 0.800 124 P CB 0.503 32.276 31.700 0.122 0.000 0.961 125 Y N 3.858 124.382 120.300 0.374 0.000 2.333 125 Y HA 0.468 5.018 4.550 0.000 0.000 0.324 125 Y C -1.245 174.694 175.900 0.066 0.000 1.033 125 Y CA -1.954 56.289 58.100 0.238 0.000 1.224 125 Y CB 0.462 39.028 38.460 0.177 0.000 1.120 125 Y HN 0.233 nan 8.280 nan 0.000 0.457 126 I N 4.338 124.946 120.570 0.063 0.000 2.392 126 I HA 0.301 4.471 4.170 -0.000 0.000 0.295 126 I C 0.053 175.710 176.117 -0.767 0.000 0.985 126 I CA -0.734 60.273 61.300 -0.488 0.000 1.221 126 I CB 1.796 39.246 38.000 -0.917 0.000 1.366 126 I HN 0.533 nan 8.210 nan 0.000 0.467 127 S N 4.313 119.628 115.700 -0.642 0.000 2.438 127 S HA 0.603 5.073 4.470 -0.000 0.000 0.316 127 S C 0.027 174.439 174.600 -0.314 0.000 1.084 127 S CA -0.581 57.334 58.200 -0.475 0.000 1.107 127 S CB 0.685 63.658 63.200 -0.379 0.000 0.981 127 S HN 0.772 nan 8.310 nan 0.000 0.466 128 G N 3.048 111.717 108.800 -0.219 0.000 2.504 128 G HA2 0.255 4.215 3.960 -0.000 0.000 0.288 128 G HA3 0.255 4.215 3.960 -0.000 0.000 0.288 128 G C -0.281 174.731 174.900 0.185 0.000 1.182 128 G CA -0.633 44.606 45.100 0.231 0.000 0.894 128 G HN 0.660 nan 8.290 nan 0.000 0.521 129 N N 0.819 119.667 118.700 0.246 0.000 2.437 129 N HA 0.173 4.913 4.740 -0.000 0.000 0.243 129 N C 0.852 176.369 175.510 0.012 0.000 1.041 129 N CA -0.406 52.692 53.050 0.080 0.000 0.940 129 N CB 1.576 40.078 38.487 0.025 0.000 1.133 129 N HN 0.045 nan 8.380 nan 0.000 0.506 130 V N 3.276 123.104 119.914 -0.144 0.000 2.581 130 V HA 0.110 4.230 4.120 -0.000 0.000 0.240 130 V C 2.189 178.229 176.094 -0.089 0.000 1.054 130 V CA 1.572 63.641 62.300 -0.385 0.000 1.076 130 V CB -0.728 30.838 31.823 -0.429 0.000 0.748 130 V HN 0.736 nan 8.190 nan 0.000 0.474 131 G N 0.505 109.282 108.800 -0.037 0.000 2.476 131 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 131 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 131 G C 1.508 176.454 174.900 0.077 0.000 1.164 131 G CA 1.624 46.739 45.100 0.026 0.000 0.768 131 G HN 0.682 nan 8.290 nan 0.000 0.560 132 S N -0.720 115.020 115.700 0.067 0.000 2.730 132 S HA 0.549 5.019 4.470 -0.000 0.000 0.244 132 S C 0.848 175.582 174.600 0.223 0.000 1.022 132 S CA 0.258 58.532 58.200 0.123 0.000 1.014 132 S CB 0.780 64.034 63.200 0.091 0.000 0.963 132 S HN 0.552 nan 8.310 nan 0.000 0.540 133 G N 1.228 110.164 108.800 0.226 0.000 2.601 133 G HA2 0.643 4.603 3.960 -0.000 0.000 0.317 133 G HA3 0.643 4.603 3.960 -0.000 0.000 0.317 133 G C -0.426 174.705 174.900 0.385 0.000 1.246 133 G CA -0.272 45.023 45.100 0.326 0.000 1.012 133 G HN 0.483 nan 8.290 nan 0.000 0.494 134 T N -3.380 111.383 114.554 0.348 0.000 2.930 134 T HA 0.427 4.777 4.350 -0.000 0.000 0.290 134 T C 1.182 175.932 174.700 0.083 0.000 1.052 134 T CA -0.396 61.826 62.100 0.204 0.000 1.017 134 T CB 1.491 70.397 68.868 0.064 0.000 1.137 134 T HN 0.213 nan 8.240 nan 0.000 0.511 135 V N 1.169 120.828 119.914 -0.426 0.000 2.332 135 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 135 V C 3.004 178.982 176.094 -0.192 0.000 1.055 135 V CA 2.374 64.285 62.300 -0.649 0.000 1.038 135 V CB -0.988 30.372 31.823 -0.772 0.000 0.651 135 V HN 1.035 nan 8.190 nan 0.000 0.450 136 Q N 0.052 119.767 119.800 -0.142 0.000 2.124 136 Q HA -0.279 4.061 4.340 -0.000 0.000 0.202 136 Q C 2.318 178.407 176.000 0.148 0.000 0.977 136 Q CA 2.170 57.954 55.803 -0.031 0.000 0.850 136 Q CB -0.181 28.529 28.738 -0.046 0.000 0.901 136 Q HN 0.791 nan 8.270 nan 0.000 0.429 137 E N 0.023 120.350 120.200 0.211 0.000 2.077 137 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 137 E C 2.044 178.990 176.600 0.577 0.000 0.989 137 E CA 1.256 57.893 56.400 0.395 0.000 0.800 137 E CB -0.162 29.735 29.700 0.329 0.000 0.746 137 E HN 0.473 nan 8.360 nan 0.000 0.452 138 M N 0.131 120.030 119.600 0.499 0.000 2.156 138 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 138 M C 2.487 179.003 176.300 0.359 0.000 1.067 138 M CA 1.447 57.087 55.300 0.568 0.000 1.131 138 M CB -0.042 32.954 32.600 0.661 0.000 1.368 138 M HN 0.119 nan 8.290 nan 0.000 0.416 139 S N 0.323 116.172 115.700 0.248 0.000 2.370 139 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 139 S C 1.572 176.289 174.600 0.195 0.000 1.033 139 S CA 1.820 60.114 58.200 0.157 0.000 1.011 139 S CB -0.321 62.960 63.200 0.136 0.000 0.852 139 S HN 0.592 nan 8.310 nan 0.000 0.457 140 E N -0.820 119.558 120.200 0.297 0.000 2.150 140 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 140 E C 1.674 178.472 176.600 0.330 0.000 0.985 140 E CA 0.906 57.539 56.400 0.388 0.000 0.814 140 E CB -0.205 29.826 29.700 0.551 0.000 0.752 140 E HN 0.672 nan 8.360 nan 0.000 0.466 141 W N 1.174 122.372 121.300 -0.171 0.000 2.355 141 W HA -0.174 4.486 4.660 -0.000 0.000 0.309 141 W C 2.001 178.344 176.519 -0.293 0.000 1.206 141 W CA 0.876 57.690 57.345 -0.885 0.000 1.284 141 W CB -0.714 28.187 29.460 -0.931 0.000 1.145 141 W HN -0.162 nan 8.180 nan 0.000 0.502 142 V N 0.515 120.363 119.914 -0.110 0.000 2.343 142 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 142 V C 2.305 178.454 176.094 0.091 0.000 1.051 142 V CA 2.410 64.549 62.300 -0.268 0.000 1.036 142 V CB -0.899 30.624 31.823 -0.500 0.000 0.654 142 V HN 0.210 nan 8.190 nan 0.000 0.451 143 E N -0.668 119.630 120.200 0.164 0.000 2.051 143 E HA -0.281 4.069 4.350 -0.000 0.000 0.192 143 E C 2.215 178.906 176.600 0.153 0.000 0.991 143 E CA 1.681 58.104 56.400 0.038 0.000 0.799 143 E CB -0.303 29.371 29.700 -0.044 0.000 0.748 143 E HN 0.700 nan 8.360 nan 0.000 0.449 144 Y N 1.051 121.439 120.300 0.147 0.000 2.151 144 Y HA -0.246 4.304 4.550 0.000 0.000 0.284 144 Y C 1.999 178.045 175.900 0.243 0.000 1.166 144 Y CA 2.082 60.322 58.100 0.235 0.000 1.163 144 Y CB -0.061 38.550 38.460 0.252 0.000 0.974 144 Y HN 0.063 nan 8.280 nan 0.000 0.511 145 I N -0.814 120.032 120.570 0.460 0.000 2.333 145 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 145 I C 2.076 178.403 176.117 0.350 0.000 1.106 145 I CA 1.844 63.453 61.300 0.514 0.000 1.411 145 I CB -0.373 37.855 38.000 0.379 0.000 1.082 145 I HN 0.376 nan 8.210 nan 0.000 0.420 146 T N -2.937 111.764 114.554 0.246 0.000 3.010 146 T HA 0.136 4.486 4.350 -0.000 0.000 0.257 146 T C 0.295 175.115 174.700 0.200 0.000 1.020 146 T CA -0.286 61.948 62.100 0.224 0.000 0.938 146 T CB -0.183 68.839 68.868 0.257 0.000 1.049 146 T HN -0.030 nan 8.240 nan 0.000 0.522 147 F N 4.789 124.671 119.950 -0.113 0.000 2.427 147 F HA 0.384 4.911 4.527 -0.000 0.000 0.352 147 F C 0.708 176.421 175.800 -0.145 0.000 1.100 147 F CA -2.031 55.809 58.000 -0.265 0.000 1.191 147 F CB 1.148 39.804 39.000 -0.573 0.000 1.128 147 F HN 0.140 nan 8.300 nan 0.000 0.533 148 D N 2.284 122.312 120.400 -0.620 0.000 2.349 148 D HA 0.160 4.800 4.640 -0.000 0.000 0.214 148 D C 0.933 176.756 176.300 -0.795 0.000 1.063 148 D CA 0.192 53.861 54.000 -0.551 0.000 0.847 148 D CB -0.264 40.371 40.800 -0.275 0.000 0.933 148 D HN 0.556 nan 8.370 nan 0.000 0.513 149 G N -0.136 107.646 108.800 -1.697 0.000 2.641 149 G HA2 0.424 4.384 3.960 -0.000 0.000 0.239 149 G HA3 0.424 4.384 3.960 -0.000 0.000 0.239 149 G C -0.669 173.894 174.900 -0.562 0.000 1.402 149 G CA -0.721 43.747 45.100 -1.054 0.000 1.046 149 G HN 0.078 nan 8.290 nan 0.000 0.565 150 E N -0.403 119.732 120.200 -0.108 0.000 2.175 150 E HA 0.525 4.875 4.350 -0.000 0.000 0.278 150 E C -0.554 176.201 176.600 0.257 0.000 0.969 150 E CA -0.367 56.068 56.400 0.059 0.000 0.796 150 E CB 1.749 31.471 29.700 0.038 0.000 1.104 150 E HN 0.602 nan 8.360 nan 0.000 0.395 151 S N 1.315 117.149 115.700 0.223 0.000 2.611 151 S HA 0.246 4.716 4.470 -0.000 0.000 0.270 151 S C -2.613 172.091 174.600 0.174 0.000 1.131 151 S CA -1.195 57.127 58.200 0.204 0.000 0.826 151 S CB 1.228 64.565 63.200 0.228 0.000 1.095 151 S HN 0.121 nan 8.310 nan 0.000 0.461 152 P HA -0.134 nan 4.420 nan 0.000 0.216 152 P C 1.542 179.016 177.300 0.290 0.000 1.157 152 P CA 1.666 64.854 63.100 0.148 0.000 0.880 152 P CB -0.038 31.718 31.700 0.095 0.000 0.791 153 M N -1.412 118.402 119.600 0.357 0.000 2.123 153 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 153 M C 2.178 178.720 176.300 0.402 0.000 1.069 153 M CA 1.843 57.487 55.300 0.573 0.000 1.133 153 M CB -1.990 30.936 32.600 0.544 0.000 1.356 153 M HN -0.119 nan 8.290 nan 0.000 0.415 154 A N 0.865 123.841 122.820 0.260 0.000 1.902 154 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 154 A C 1.971 179.585 177.584 0.050 0.000 1.181 154 A CA 1.833 53.929 52.037 0.099 0.000 0.623 154 A CB -0.803 18.270 19.000 0.123 0.000 0.818 154 A HN 0.482 nan 8.150 nan 0.000 0.443 155 N N -1.286 117.495 118.700 0.135 0.000 2.166 155 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 155 N C 1.320 176.959 175.510 0.216 0.000 1.019 155 N CA 1.317 54.440 53.050 0.121 0.000 0.856 155 N CB -0.500 38.057 38.487 0.116 0.000 0.993 155 N HN 0.756 nan 8.380 nan 0.000 0.426 156 W N 2.839 124.189 121.300 0.084 0.000 2.358 156 W HA 0.010 4.670 4.660 -0.000 0.000 0.303 156 W C 2.359 178.945 176.519 0.112 0.000 1.208 156 W CA 0.928 58.377 57.345 0.173 0.000 1.274 156 W CB -0.617 29.063 29.460 0.367 0.000 1.138 156 W HN 0.017 nan 8.180 nan 0.000 0.515 157 R N 0.397 120.812 120.500 -0.143 0.000 2.083 157 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 157 R C 2.390 178.630 176.300 -0.101 0.000 1.137 157 R CA 2.000 57.816 56.100 -0.473 0.000 0.951 157 R CB -0.439 29.351 30.300 -0.850 0.000 0.851 157 R HN 0.150 nan 8.270 nan 0.000 0.434 158 R N 0.265 120.716 120.500 -0.080 0.000 2.081 158 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 158 R C 2.225 178.539 176.300 0.023 0.000 1.131 158 R CA 1.790 57.861 56.100 -0.049 0.000 0.960 158 R CB -0.243 30.026 30.300 -0.052 0.000 0.856 158 R HN 0.436 nan 8.270 nan 0.000 0.436 159 E N 0.505 120.760 120.200 0.092 0.000 2.160 159 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 159 E C 1.203 177.861 176.600 0.096 0.000 0.991 159 E CA 0.875 57.351 56.400 0.126 0.000 0.810 159 E CB -0.001 29.840 29.700 0.234 0.000 0.742 159 E HN 0.291 nan 8.360 nan 0.000 0.466 160 N N -0.710 118.033 118.700 0.072 0.000 2.383 160 N HA 0.027 4.767 4.740 -0.000 0.000 0.192 160 N C 0.703 176.167 175.510 -0.076 0.000 1.141 160 N CA 0.915 53.927 53.050 -0.063 0.000 0.851 160 N CB 1.372 39.721 38.487 -0.230 0.000 0.976 160 N HN 0.285 nan 8.380 nan 0.000 0.465 161 G N 0.810 109.626 108.800 0.027 0.000 2.168 161 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.197 161 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.197 161 G C 0.076 175.002 174.900 0.043 0.000 0.997 161 G CA -0.414 44.710 45.100 0.039 0.000 0.658 161 G HN 0.339 nan 8.290 nan 0.000 0.513 162 R N 0.787 121.292 120.500 0.008 0.000 2.272 162 R HA 0.670 5.010 4.340 -0.000 0.000 0.323 162 R C 0.912 177.028 176.300 -0.307 0.000 1.002 162 R CA -0.259 55.700 56.100 -0.235 0.000 0.900 162 R CB 1.018 30.935 30.300 -0.638 0.000 1.151 162 R HN 0.152 nan 8.270 nan 0.000 0.507 163 E N 3.651 123.711 120.200 -0.233 0.000 2.008 163 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 163 E C -0.341 176.113 176.600 -0.243 0.000 0.986 163 E CA 1.472 57.757 56.400 -0.191 0.000 0.807 163 E CB 0.086 29.709 29.700 -0.127 0.000 0.766 163 E HN 0.623 nan 8.360 nan 0.000 0.450 164 K N 1.164 121.408 120.400 -0.259 0.000 2.107 164 K HA 0.295 4.615 4.320 -0.000 0.000 0.251 164 K C -2.295 174.091 176.600 -0.358 0.000 1.012 164 K CA -1.814 54.322 56.287 -0.251 0.000 0.920 164 K CB 0.502 32.895 32.500 -0.178 0.000 1.033 164 K HN -0.031 nan 8.250 nan 0.000 0.478 165 P HA 0.030 nan 4.420 nan 0.000 0.274 165 P C -0.518 176.676 177.300 -0.177 0.000 1.237 165 P CA -0.326 62.640 63.100 -0.223 0.000 0.793 165 P CB 0.420 32.073 31.700 -0.079 0.000 0.977 166 W N 1.371 122.658 121.300 -0.022 0.000 2.215 166 W HA 0.241 4.901 4.660 0.000 0.000 0.342 166 W C 0.914 177.436 176.519 0.005 0.000 1.237 166 W CA 0.024 57.361 57.345 -0.013 0.000 1.283 166 W CB 0.388 29.842 29.460 -0.010 0.000 1.131 166 W HN 0.177 nan 8.180 nan 0.000 0.606 167 R N 2.063 122.715 120.500 0.252 0.000 2.368 167 R HA 0.568 4.908 4.340 -0.000 0.000 0.302 167 R C -0.706 175.667 176.300 0.122 0.000 1.002 167 R CA -0.987 55.195 56.100 0.137 0.000 0.929 167 R CB 1.514 31.859 30.300 0.075 0.000 1.073 167 R HN 0.571 nan 8.270 nan 0.000 0.464 168 I N 1.450 122.069 120.570 0.081 0.000 2.656 168 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 168 I C 0.231 176.317 176.117 -0.053 0.000 1.144 168 I CA -0.369 60.969 61.300 0.064 0.000 1.038 168 I CB 2.027 40.127 38.000 0.168 0.000 1.244 168 I HN 0.483 nan 8.210 nan 0.000 0.420 169 K N 4.657 124.932 120.400 -0.207 0.000 2.161 169 K HA 0.153 4.473 4.320 -0.000 0.000 0.205 169 K C -0.620 175.733 176.600 -0.411 0.000 1.035 169 K CA 0.674 56.632 56.287 -0.548 0.000 0.970 169 K CB 0.077 31.960 32.500 -1.028 0.000 0.866 169 K HN 0.411 nan 8.250 nan 0.000 0.461 170 Y N 0.371 120.719 120.300 0.080 0.000 2.365 170 Y HA 0.113 4.663 4.550 -0.000 0.000 0.340 170 Y C -0.259 175.777 175.900 0.226 0.000 1.016 170 Y CA -0.663 57.443 58.100 0.011 0.000 1.196 170 Y CB 0.423 38.673 38.460 -0.350 0.000 1.167 170 Y HN 0.160 nan 8.280 nan 0.000 0.509 171 W N 4.138 125.560 121.300 0.202 0.000 2.647 171 W HA 0.550 5.210 4.660 0.000 0.000 0.328 171 W C -0.683 176.021 176.519 0.308 0.000 1.018 171 W CA -1.318 56.164 57.345 0.230 0.000 1.245 171 W CB 2.072 31.596 29.460 0.107 0.000 1.356 171 W HN 0.681 nan 8.180 nan 0.000 0.443 172 G N 3.335 112.240 108.800 0.175 0.000 2.320 172 G HA2 0.403 4.363 3.960 -0.000 0.000 0.300 172 G HA3 0.403 4.363 3.960 -0.000 0.000 0.300 172 G C -0.873 174.166 174.900 0.232 0.000 1.126 172 G CA -0.436 44.828 45.100 0.274 0.000 0.896 172 G HN 0.258 nan 8.290 nan 0.000 0.436 173 V N 3.204 123.367 119.914 0.414 0.000 2.162 173 V HA 0.572 4.692 4.120 -0.000 0.000 0.255 173 V C 1.089 177.357 176.094 0.291 0.000 1.304 173 V CA 0.606 63.155 62.300 0.415 0.000 1.198 173 V CB -0.913 31.229 31.823 0.532 0.000 1.333 173 V HN 1.442 nan 8.190 nan 0.000 0.493 174 G N 3.323 112.194 108.800 0.119 0.000 2.705 174 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 174 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 174 G C -0.806 174.049 174.900 -0.074 0.000 1.285 174 G CA -0.205 44.903 45.100 0.014 0.000 0.800 174 G HN 0.958 nan 8.290 nan 0.000 0.611 175 N N 0.145 118.732 118.700 -0.188 0.000 2.258 175 N HA 0.538 5.278 4.740 -0.000 0.000 0.299 175 N C 0.547 175.761 175.510 -0.494 0.000 1.047 175 N CA -0.112 52.776 53.050 -0.269 0.000 0.814 175 N CB 1.114 39.494 38.487 -0.179 0.000 1.413 175 N HN 0.905 nan 8.380 nan 0.000 0.478 176 Q N 0.889 120.211 119.800 -0.797 0.000 2.416 176 Q HA -0.280 4.060 4.340 -0.000 0.000 0.319 176 Q C -0.285 174.838 176.000 -1.461 0.000 1.318 176 Q CA 0.637 55.483 55.803 -1.594 0.000 0.915 176 Q CB -1.668 26.331 28.738 -1.232 0.000 1.184 176 Q HN 0.709 nan 8.270 nan 0.000 0.444 177 N N -0.011 118.022 118.700 -1.112 0.000 2.453 177 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 177 N C 1.277 176.571 175.510 -0.359 0.000 1.041 177 N CA 1.424 54.126 53.050 -0.581 0.000 0.900 177 N CB -0.079 38.155 38.487 -0.421 0.000 0.961 177 N HN 0.611 nan 8.380 nan 0.000 0.443 178 W N -0.157 120.941 121.300 -0.338 0.000 2.699 178 W HA 0.282 4.942 4.660 -0.000 0.000 0.249 178 W C 0.844 177.290 176.519 -0.122 0.000 1.280 178 W CA 0.383 57.593 57.345 -0.225 0.000 1.345 178 W CB -0.646 28.447 29.460 -0.611 0.000 1.128 178 W HN -0.033 nan 8.180 nan 0.000 0.642 179 G N 0.975 109.639 108.800 -0.225 0.000 3.054 179 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.201 179 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.201 179 G C 0.967 175.777 174.900 -0.150 0.000 1.694 179 G CA 0.600 45.660 45.100 -0.067 0.000 0.742 179 G HN 0.197 nan 8.290 nan 0.000 0.790 180 c N 0.996 119.469 118.600 -0.212 0.000 2.422 180 c HA 0.292 4.862 4.570 -0.000 0.000 0.286 180 c C 2.452 176.453 174.090 -0.148 0.000 1.412 180 c CA 0.772 57.012 56.329 -0.147 0.000 1.786 180 c CB -1.269 41.069 42.510 -0.287 0.000 1.835 180 c HN 0.560 nan 8.230 nan 0.000 0.533 181 G N -0.488 108.160 108.800 -0.254 0.000 3.262 181 G HA2 0.437 4.397 3.960 -0.000 0.000 0.228 181 G HA3 0.437 4.397 3.960 -0.000 0.000 0.228 181 G C 1.095 175.945 174.900 -0.082 0.000 1.197 181 G CA 0.595 45.579 45.100 -0.194 0.000 0.819 181 G HN 1.514 nan 8.290 nan 0.000 0.531 182 G N 0.011 108.797 108.800 -0.024 0.000 2.234 182 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.153 182 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.153 182 G C 0.261 175.230 174.900 0.116 0.000 1.013 182 G CA -0.186 44.957 45.100 0.070 0.000 0.712 182 G HN 0.495 nan 8.290 nan 0.000 0.491 183 N N -0.248 118.501 118.700 0.083 0.000 2.699 183 N HA -0.170 4.570 4.740 -0.000 0.000 0.256 183 N C 0.505 176.150 175.510 0.225 0.000 0.993 183 N CA 1.399 54.531 53.050 0.137 0.000 0.759 183 N CB -0.637 37.913 38.487 0.106 0.000 0.906 183 N HN 0.692 nan 8.380 nan 0.000 0.541 184 M N 0.324 120.109 119.600 0.309 0.000 2.277 184 M HA 0.268 4.748 4.480 -0.000 0.000 0.350 184 M C 0.912 177.522 176.300 0.517 0.000 1.180 184 M CA -0.330 55.242 55.300 0.453 0.000 1.103 184 M CB 1.168 34.081 32.600 0.521 0.000 1.577 184 M HN 0.052 nan 8.290 nan 0.000 0.459 185 R N 0.774 121.529 120.500 0.425 0.000 2.694 185 R HA 0.213 4.553 4.340 -0.000 0.000 0.268 185 R C 1.138 177.600 176.300 0.271 0.000 1.061 185 R CA 0.041 56.363 56.100 0.370 0.000 1.133 185 R CB 0.347 30.796 30.300 0.249 0.000 1.020 185 R HN 0.928 nan 8.270 nan 0.000 0.475 186 A N 2.484 125.318 122.820 0.024 0.000 1.940 186 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 186 A C 1.768 179.164 177.584 -0.315 0.000 1.176 186 A CA 1.652 53.269 52.037 -0.700 0.000 0.631 186 A CB -0.313 18.221 19.000 -0.776 0.000 0.814 186 A HN 0.809 nan 8.150 nan 0.000 0.446 187 E N -1.491 118.668 120.200 -0.070 0.000 2.077 187 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 187 E C 1.815 178.462 176.600 0.079 0.000 0.989 187 E CA 1.532 57.928 56.400 -0.007 0.000 0.800 187 E CB -0.439 29.297 29.700 0.060 0.000 0.746 187 E HN 0.773 nan 8.360 nan 0.000 0.452 188 Y N -0.249 120.065 120.300 0.023 0.000 2.184 188 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 188 Y C 2.176 178.127 175.900 0.084 0.000 1.129 188 Y CA 1.401 59.539 58.100 0.064 0.000 1.144 188 Y CB -0.744 37.780 38.460 0.107 0.000 0.995 188 Y HN 0.156 nan 8.280 nan 0.000 0.513 189 Y N 0.707 120.947 120.300 -0.100 0.000 2.165 189 Y HA -0.237 4.313 4.550 0.000 0.000 0.286 189 Y C 2.430 178.272 175.900 -0.097 0.000 1.155 189 Y CA 1.878 59.894 58.100 -0.139 0.000 1.164 189 Y CB -0.927 37.572 38.460 0.065 0.000 0.978 189 Y HN 0.162 nan 8.280 nan 0.000 0.513 190 A N 0.227 122.902 122.820 -0.242 0.000 1.908 190 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 190 A C 2.001 179.471 177.584 -0.190 0.000 1.181 190 A CA 2.070 53.961 52.037 -0.242 0.000 0.627 190 A CB -0.879 18.023 19.000 -0.163 0.000 0.818 190 A HN 0.572 nan 8.150 nan 0.000 0.445 191 D N 0.065 120.372 120.400 -0.155 0.000 2.097 191 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 191 D C 2.016 178.221 176.300 -0.159 0.000 0.989 191 D CA 1.143 55.072 54.000 -0.119 0.000 0.827 191 D CB -0.365 40.418 40.800 -0.028 0.000 0.966 191 D HN 0.460 nan 8.370 nan 0.000 0.456 192 L N -0.148 120.925 121.223 -0.250 0.000 2.017 192 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 192 L C 2.548 179.365 176.870 -0.088 0.000 1.073 192 L CA 1.085 55.849 54.840 -0.128 0.000 0.745 192 L CB -0.591 41.343 42.059 -0.209 0.000 0.894 192 L HN 0.073 nan 8.230 nan 0.000 0.432 193 Y N 1.189 121.191 120.300 -0.497 0.000 2.114 193 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 193 Y C 2.789 178.597 175.900 -0.153 0.000 1.165 193 Y CA 1.676 59.536 58.100 -0.399 0.000 1.148 193 Y CB -0.221 37.862 38.460 -0.627 0.000 0.972 193 Y HN -0.019 nan 8.280 nan 0.000 0.504 194 R N -0.132 120.228 120.500 -0.233 0.000 2.105 194 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 194 R C 2.471 178.546 176.300 -0.375 0.000 1.135 194 R CA 1.825 57.687 56.100 -0.397 0.000 0.967 194 R CB -0.420 29.619 30.300 -0.436 0.000 0.861 194 R HN 0.533 nan 8.270 nan 0.000 0.442 195 Q N 0.096 119.774 119.800 -0.205 0.000 1.990 195 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 195 Q C 1.809 177.789 176.000 -0.033 0.000 0.980 195 Q CA 1.529 57.270 55.803 -0.103 0.000 0.832 195 Q CB -0.110 28.592 28.738 -0.061 0.000 0.897 195 Q HN 0.222 nan 8.270 nan 0.000 0.427 196 F N 1.387 121.261 119.950 -0.127 0.000 2.065 196 F HA -0.312 4.215 4.527 -0.000 0.000 0.298 196 F C 2.661 178.393 175.800 -0.114 0.000 1.112 196 F CA 1.932 59.898 58.000 -0.056 0.000 1.212 196 F CB -0.384 38.580 39.000 -0.059 0.000 0.975 196 F HN 0.356 nan 8.300 nan 0.000 0.476 197 Q N -0.330 119.373 119.800 -0.161 0.000 2.226 197 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 197 Q C 1.572 177.456 176.000 -0.194 0.000 0.975 197 Q CA 2.107 57.765 55.803 -0.242 0.000 0.866 197 Q CB -1.648 26.770 28.738 -0.533 0.000 0.915 197 Q HN 0.245 nan 8.270 nan 0.000 0.440 198 T N -0.031 114.369 114.554 -0.257 0.000 2.737 198 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 198 T C 0.439 174.812 174.700 -0.545 0.000 1.040 198 T CA 1.714 63.557 62.100 -0.429 0.000 1.142 198 T CB -0.329 68.166 68.868 -0.622 0.000 0.861 198 T HN 0.490 nan 8.240 nan 0.000 0.456 199 Y N 0.377 120.597 120.300 -0.133 0.000 2.468 199 Y HA 0.406 4.956 4.550 -0.000 0.000 0.268 199 Y C 0.438 176.263 175.900 -0.125 0.000 1.177 199 Y CA -0.370 57.659 58.100 -0.118 0.000 1.265 199 Y CB -0.124 38.270 38.460 -0.111 0.000 1.103 199 Y HN 0.101 nan 8.280 nan 0.000 0.522 200 L N 2.503 123.676 121.223 -0.084 0.000 2.288 200 L HA 0.369 4.709 4.340 -0.000 0.000 0.283 200 L C -0.028 176.689 176.870 -0.255 0.000 1.072 200 L CA -0.451 54.273 54.840 -0.195 0.000 0.862 200 L CB 0.168 42.066 42.059 -0.268 0.000 1.245 200 L HN -0.003 nan 8.230 nan 0.000 0.432 201 R N 1.643 121.937 120.500 -0.343 0.000 2.549 201 R HA 0.339 4.679 4.340 -0.000 0.000 0.267 201 R C -0.391 175.574 176.300 -0.558 0.000 1.045 201 R CA -0.883 54.897 56.100 -0.534 0.000 1.115 201 R CB 0.769 30.535 30.300 -0.889 0.000 1.121 201 R HN 0.364 nan 8.270 nan 0.000 0.543 202 N N 1.841 120.275 118.700 -0.442 0.000 2.437 202 N HA 0.166 4.906 4.740 -0.000 0.000 0.243 202 N C -0.972 174.369 175.510 -0.282 0.000 1.041 202 N CA -0.001 52.884 53.050 -0.275 0.000 0.940 202 N CB 0.297 38.697 38.487 -0.146 0.000 1.133 202 N HN 0.297 nan 8.380 nan 0.000 0.506 203 Y N 0.549 120.871 120.300 0.036 0.000 2.352 203 Y HA 0.499 5.049 4.550 -0.000 0.000 0.326 203 Y C 1.656 177.615 175.900 0.098 0.000 1.166 203 Y CA 0.039 58.214 58.100 0.124 0.000 1.182 203 Y CB 0.930 39.548 38.460 0.263 0.000 1.216 203 Y HN 0.693 nan 8.280 nan 0.000 0.474 204 G N 1.936 110.899 108.800 0.271 0.000 2.611 204 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.301 204 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.301 204 G C 0.395 175.342 174.900 0.078 0.000 1.233 204 G CA 0.687 45.867 45.100 0.132 0.000 0.993 204 G HN 0.646 nan 8.290 nan 0.000 0.553 205 D N 1.475 121.905 120.400 0.050 0.000 2.340 205 D HA 0.124 4.764 4.640 -0.000 0.000 0.217 205 D C 0.943 177.251 176.300 0.014 0.000 1.081 205 D CA 0.004 54.019 54.000 0.025 0.000 0.842 205 D CB -0.178 40.631 40.800 0.015 0.000 0.934 205 D HN 0.289 nan 8.370 nan 0.000 0.511 206 N N 1.628 120.345 118.700 0.030 0.000 2.518 206 N HA 0.005 4.745 4.740 -0.000 0.000 0.266 206 N C -0.556 174.925 175.510 -0.048 0.000 1.196 206 N CA 0.223 53.273 53.050 0.000 0.000 0.947 206 N CB 0.479 38.992 38.487 0.043 0.000 1.098 206 N HN -0.306 nan 8.380 nan 0.000 0.450 207 K N 3.637 123.971 120.400 -0.109 0.000 2.535 207 K HA 0.296 4.616 4.320 -0.000 0.000 0.253 207 K C -0.711 175.724 176.600 -0.275 0.000 0.953 207 K CA -0.443 55.752 56.287 -0.154 0.000 0.863 207 K CB 1.238 33.654 32.500 -0.140 0.000 1.111 207 K HN 0.529 nan 8.250 nan 0.000 0.431 208 L N 3.666 124.786 121.223 -0.172 0.000 2.380 208 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 208 L C 0.112 176.946 176.870 -0.060 0.000 1.138 208 L CA -0.267 54.491 54.840 -0.137 0.000 0.832 208 L CB 0.296 42.313 42.059 -0.069 0.000 1.124 208 L HN 0.386 nan 8.230 nan 0.000 0.454 209 H N 3.746 122.813 119.070 -0.006 0.000 2.661 209 H HA 0.281 4.837 4.556 -0.000 0.000 0.290 209 H C -0.503 174.935 175.328 0.184 0.000 1.082 209 H CA -0.646 55.430 56.048 0.047 0.000 1.234 209 H CB 0.534 30.194 29.762 -0.169 0.000 1.387 209 H HN 0.368 nan 8.280 nan 0.000 0.476 210 K N 3.683 124.313 120.400 0.384 0.000 2.297 210 K HA 0.372 4.692 4.320 -0.000 0.000 0.286 210 K C 0.054 176.902 176.600 0.414 0.000 1.053 210 K CA -0.134 56.400 56.287 0.411 0.000 0.940 210 K CB 1.207 33.936 32.500 0.382 0.000 1.019 210 K HN 0.438 nan 8.250 nan 0.000 0.475 211 I N 2.789 123.606 120.570 0.412 0.000 2.362 211 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 211 I C -0.021 176.277 176.117 0.301 0.000 0.994 211 I CA -0.725 60.751 61.300 0.293 0.000 1.158 211 I CB 1.773 39.908 38.000 0.224 0.000 1.315 211 I HN 0.635 nan 8.210 nan 0.000 0.451 212 A N 5.162 128.032 122.820 0.084 0.000 2.340 212 A HA 0.249 4.569 4.320 -0.000 0.000 0.268 212 A C 0.044 177.711 177.584 0.138 0.000 1.100 212 A CA -0.368 51.631 52.037 -0.063 0.000 0.803 212 A CB 0.712 19.369 19.000 -0.572 0.000 1.043 212 A HN 0.900 nan 8.150 nan 0.000 0.488 213 C N 3.242 122.680 119.300 0.229 0.000 2.638 213 C HA 0.490 4.950 4.460 -0.000 0.000 0.410 213 C C 1.187 176.308 174.990 0.218 0.000 1.404 213 C CA 0.407 59.431 59.018 0.011 0.000 1.651 213 C CB -1.719 25.770 27.740 -0.418 0.000 2.495 213 C HN 0.978 nan 8.230 nan 0.000 0.606 214 G N 4.207 113.050 108.800 0.073 0.000 2.671 214 G HA2 0.676 4.636 3.960 -0.000 0.000 0.275 214 G HA3 0.676 4.636 3.960 -0.000 0.000 0.275 214 G C -0.248 174.502 174.900 -0.251 0.000 1.368 214 G CA 0.028 45.204 45.100 0.125 0.000 1.044 214 G HN 1.297 nan 8.290 nan 0.000 0.543 215 A N -0.353 122.292 122.820 -0.292 0.000 2.407 215 A HA 0.429 4.749 4.320 -0.000 0.000 0.248 215 A C 0.397 177.594 177.584 -0.646 0.000 1.082 215 A CA -0.284 51.403 52.037 -0.584 0.000 0.785 215 A CB 0.155 18.990 19.000 -0.274 0.000 1.020 215 A HN 0.610 nan 8.150 nan 0.000 0.489 216 N N 1.529 119.534 118.700 -1.159 0.000 2.411 216 N HA 0.327 5.067 4.740 -0.000 0.000 0.259 216 N C 0.837 176.070 175.510 -0.461 0.000 1.103 216 N CA 1.199 53.673 53.050 -0.960 0.000 0.954 216 N CB -0.355 37.022 38.487 -1.849 0.000 1.085 216 N HN 0.783 nan 8.380 nan 0.000 0.485 217 T N 2.730 117.196 114.554 -0.147 0.000 13.879 217 T HA -0.323 4.027 4.350 -0.000 0.000 0.418 217 T C 0.748 175.382 174.700 -0.110 0.000 1.442 217 T CA 2.157 64.255 62.100 -0.003 0.000 2.336 217 T CB -1.433 67.507 68.868 0.120 0.000 2.768 217 T HN 0.761 nan 8.240 nan 0.000 0.395 218 A N 1.450 124.151 122.820 -0.199 0.000 2.532 218 A HA 0.397 4.717 4.320 -0.000 0.000 0.273 218 A C 0.516 177.649 177.584 -0.751 0.000 1.342 218 A CA 0.294 51.980 52.037 -0.584 0.000 0.929 218 A CB -0.159 18.684 19.000 -0.263 0.000 1.051 218 A HN 0.590 nan 8.150 nan 0.000 0.521 219 D N -0.099 120.052 120.400 -0.416 0.000 2.608 219 D HA 0.127 4.767 4.640 -0.000 0.000 0.224 219 D C 0.436 176.715 176.300 -0.036 0.000 1.123 219 D CA -0.223 53.649 54.000 -0.214 0.000 1.030 219 D CB -0.324 40.343 40.800 -0.222 0.000 1.093 219 D HN 0.448 nan 8.370 nan 0.000 0.497 220 Y N 0.292 120.654 120.300 0.103 0.000 2.274 220 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 220 Y C 2.230 178.229 175.900 0.165 0.000 1.145 220 Y CA 1.202 59.332 58.100 0.050 0.000 1.203 220 Y CB -0.851 37.556 38.460 -0.088 0.000 0.984 220 Y HN 0.538 nan 8.280 nan 0.000 0.533 221 H N -0.868 118.331 119.070 0.215 0.000 2.387 221 H HA -0.251 4.305 4.556 -0.000 0.000 0.299 221 H C 2.208 177.650 175.328 0.189 0.000 1.099 221 H CA 2.116 58.266 56.048 0.171 0.000 1.315 221 H CB -0.524 29.317 29.762 0.131 0.000 1.380 221 H HN 0.470 nan 8.280 nan 0.000 0.513 222 W N 1.160 122.480 121.300 0.034 0.000 2.335 222 W HA -0.201 4.459 4.660 0.000 0.000 0.311 222 W C 1.656 178.157 176.519 -0.030 0.000 1.213 222 W CA 2.170 59.501 57.345 -0.023 0.000 1.274 222 W CB -0.639 28.815 29.460 -0.010 0.000 1.148 222 W HN 0.248 nan 8.180 nan 0.000 0.498 223 T N 0.464 115.214 114.554 0.326 0.000 2.746 223 T HA -0.287 4.063 4.350 -0.000 0.000 0.267 223 T C 1.622 176.345 174.700 0.039 0.000 1.039 223 T CA 1.984 64.229 62.100 0.241 0.000 1.142 223 T CB -0.451 68.672 68.868 0.425 0.000 0.866 223 T HN 0.348 nan 8.240 nan 0.000 0.444 224 E N 0.571 120.782 120.200 0.018 0.000 2.031 224 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 224 E C 2.247 178.680 176.600 -0.278 0.000 0.994 224 E CA 1.232 57.590 56.400 -0.068 0.000 0.800 224 E CB -0.133 29.579 29.700 0.019 0.000 0.752 224 E HN 0.275 nan 8.360 nan 0.000 0.447 225 V N 1.640 121.342 119.914 -0.354 0.000 2.287 225 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 225 V C 2.558 178.442 176.094 -0.350 0.000 1.053 225 V CA 1.281 63.350 62.300 -0.385 0.000 1.027 225 V CB -0.486 31.043 31.823 -0.490 0.000 0.646 225 V HN 0.409 nan 8.190 nan 0.000 0.447 226 L N -1.003 120.005 121.223 -0.358 0.000 2.083 226 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 226 L C 2.465 179.200 176.870 -0.225 0.000 1.083 226 L CA 1.951 56.631 54.840 -0.267 0.000 0.752 226 L CB -0.940 41.000 42.059 -0.198 0.000 0.899 226 L HN 0.343 nan 8.230 nan 0.000 0.433 227 M N -0.526 118.904 119.600 -0.284 0.000 2.132 227 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 227 M C 2.180 178.135 176.300 -0.576 0.000 1.065 227 M CA 1.393 56.477 55.300 -0.360 0.000 1.122 227 M CB -0.963 31.430 32.600 -0.345 0.000 1.365 227 M HN 0.183 nan 8.290 nan 0.000 0.411 228 K N -0.233 119.683 120.400 -0.807 0.000 2.057 228 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 228 K C 1.911 178.375 176.600 -0.226 0.000 1.050 228 K CA 1.124 57.024 56.287 -0.645 0.000 0.935 228 K CB 0.245 32.467 32.500 -0.463 0.000 0.715 228 K HN 0.224 nan 8.250 nan 0.000 0.439 229 Q N -1.229 118.466 119.800 -0.175 0.000 2.376 229 Q HA 0.119 4.459 4.340 -0.000 0.000 0.206 229 Q C 0.941 176.987 176.000 0.077 0.000 0.921 229 Q CA 1.038 56.815 55.803 -0.044 0.000 0.911 229 Q CB 1.346 30.041 28.738 -0.070 0.000 1.032 229 Q HN 0.390 nan 8.270 nan 0.000 0.510 230 A N -0.820 122.033 122.820 0.054 0.000 2.653 230 A HA 0.532 4.852 4.320 -0.000 0.000 0.248 230 A C 1.735 179.420 177.584 0.168 0.000 1.211 230 A CA 0.653 52.843 52.037 0.254 0.000 0.991 230 A CB 0.080 19.183 19.000 0.172 0.000 1.252 230 A HN 0.143 nan 8.150 nan 0.000 0.593 231 A N 1.773 124.590 122.820 -0.006 0.000 1.903 231 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 231 A C -0.063 177.454 177.584 -0.111 0.000 1.191 231 A CA 2.369 54.378 52.037 -0.047 0.000 0.638 231 A CB -1.612 17.360 19.000 -0.047 0.000 0.823 231 A HN 0.401 nan 8.150 nan 0.000 0.451 232 P HA -0.052 nan 4.420 nan 0.000 0.228 232 P C 0.289 177.250 177.300 -0.564 0.000 1.151 232 P CA 0.787 63.575 63.100 -0.519 0.000 0.770 232 P CB -0.121 31.086 31.700 -0.822 0.000 0.786 233 F N -1.326 118.670 119.950 0.077 0.000 2.639 233 F HA 0.335 4.862 4.527 -0.000 0.000 0.302 233 F C 1.167 177.125 175.800 0.263 0.000 1.097 233 F CA -0.331 57.752 58.000 0.139 0.000 1.294 233 F CB -0.421 38.678 39.000 0.165 0.000 1.027 233 F HN -0.113 nan 8.300 nan 0.000 0.550 234 M N -2.513 117.256 119.600 0.281 0.000 2.591 234 M HA 0.482 4.961 4.480 -0.000 0.000 0.306 234 M C -0.273 176.136 176.300 0.181 0.000 1.190 234 M CA -0.549 54.922 55.300 0.284 0.000 0.889 234 M CB 2.119 34.791 32.600 0.120 0.000 1.728 234 M HN 0.057 nan 8.290 nan 0.000 0.458 235 H N 0.027 119.183 119.070 0.144 0.000 2.648 235 H HA 0.526 5.082 4.556 -0.000 0.000 0.265 235 H C 0.090 175.437 175.328 0.032 0.000 0.961 235 H CA 0.027 56.116 56.048 0.069 0.000 1.185 235 H CB 0.873 30.681 29.762 0.078 0.000 1.449 235 H HN 0.915 nan 8.280 nan 0.000 0.523 236 G N 0.376 109.297 108.800 0.202 0.000 2.698 236 G HA2 0.435 4.395 3.960 -0.000 0.000 0.293 236 G HA3 0.435 4.395 3.960 -0.000 0.000 0.293 236 G C -2.389 172.555 174.900 0.072 0.000 1.437 236 G CA -0.678 44.485 45.100 0.104 0.000 0.852 236 G HN 0.101 nan 8.290 nan 0.000 0.499 237 L N 1.312 122.561 121.223 0.044 0.000 2.410 237 L HA 0.787 5.127 4.340 -0.000 0.000 0.270 237 L C 0.493 177.380 176.870 0.028 0.000 0.983 237 L CA -0.565 54.299 54.840 0.040 0.000 0.822 237 L CB 1.979 44.062 42.059 0.040 0.000 1.285 237 L HN 0.848 nan 8.230 nan 0.000 0.409 238 S N 4.155 119.878 115.700 0.038 0.000 2.707 238 S HA 0.866 5.336 4.470 -0.000 0.000 0.276 238 S C -0.745 173.835 174.600 -0.034 0.000 1.179 238 S CA -0.651 57.564 58.200 0.026 0.000 0.992 238 S CB 1.612 64.854 63.200 0.071 0.000 1.030 238 S HN 0.811 nan 8.310 nan 0.000 0.554 239 L N 0.319 121.549 121.223 0.011 0.000 2.513 239 L HA 0.510 4.850 4.340 -0.000 0.000 0.261 239 L C -1.664 175.338 176.870 0.221 0.000 0.945 239 L CA -0.193 54.617 54.840 -0.051 0.000 0.848 239 L CB 1.812 43.777 42.059 -0.157 0.000 1.334 239 L HN 0.992 nan 8.230 nan 0.000 0.407 240 H N 4.228 123.290 119.070 -0.013 0.000 2.529 240 H HA 0.548 5.104 4.556 -0.000 0.000 0.348 240 H C -1.913 173.496 175.328 0.135 0.000 1.079 240 H CA -0.698 55.387 56.048 0.060 0.000 1.198 240 H CB 2.280 32.153 29.762 0.184 0.000 1.521 240 H HN 0.618 nan 8.280 nan 0.000 0.514 241 Y N 3.579 123.903 120.300 0.041 0.000 2.298 241 Y HA 0.202 4.752 4.550 0.000 0.000 0.322 241 Y C -2.065 173.858 175.900 0.038 0.000 1.138 241 Y CA -0.929 57.221 58.100 0.084 0.000 1.127 241 Y CB 0.358 38.871 38.460 0.089 0.000 1.178 241 Y HN 0.515 nan 8.280 nan 0.000 0.428 242 Y N 3.021 123.146 120.300 -0.291 0.000 2.352 242 Y HA 0.468 5.018 4.550 0.000 0.000 0.326 242 Y C 0.675 176.214 175.900 -0.603 0.000 1.166 242 Y CA -0.474 57.479 58.100 -0.246 0.000 1.182 242 Y CB 1.759 40.315 38.460 0.160 0.000 1.216 242 Y HN 0.496 nan 8.280 nan 0.000 0.474 243 T N 3.727 118.172 114.554 -0.181 0.000 2.747 243 T HA 0.396 4.746 4.350 -0.000 0.000 0.301 243 T C -0.693 173.976 174.700 -0.052 0.000 0.952 243 T CA -0.442 61.572 62.100 -0.145 0.000 0.983 243 T CB -0.350 68.485 68.868 -0.054 0.000 0.930 243 T HN 0.300 nan 8.240 nan 0.000 0.494 244 V N 7.770 127.678 119.914 -0.010 0.000 2.349 244 V HA 0.236 4.355 4.120 -0.000 0.000 0.284 244 V C -1.700 174.406 176.094 0.021 0.000 1.014 244 V CA -1.794 60.497 62.300 -0.016 0.000 0.826 244 V CB 1.473 33.296 31.823 0.000 0.000 1.009 244 V HN 0.526 nan 8.190 nan 0.000 0.431 245 P HA -0.039 nan 4.420 nan 0.000 0.213 245 P C 0.952 178.277 177.300 0.041 0.000 1.170 245 P CA 1.343 64.471 63.100 0.048 0.000 0.898 245 P CB 0.258 31.994 31.700 0.060 0.000 0.787 246 G N -0.818 107.998 108.800 0.027 0.000 2.642 246 G HA2 0.448 4.408 3.960 -0.000 0.000 0.291 246 G HA3 0.448 4.408 3.960 -0.000 0.000 0.291 246 G C -2.553 172.359 174.900 0.020 0.000 1.345 246 G CA -1.415 43.699 45.100 0.024 0.000 1.043 246 G HN -0.021 nan 8.290 nan 0.000 0.528 247 P HA -0.111 nan 4.420 nan 0.000 0.269 247 P C 0.593 177.925 177.300 0.053 0.000 1.217 247 P CA -0.370 62.766 63.100 0.060 0.000 0.783 247 P CB 0.986 32.718 31.700 0.053 0.000 0.898 248 W N 1.766 123.014 121.300 -0.088 0.000 2.325 248 W HA -0.205 4.455 4.660 -0.000 0.000 0.299 248 W C 1.217 177.675 176.519 -0.101 0.000 1.215 248 W CA 1.821 59.081 57.345 -0.143 0.000 1.244 248 W CB -0.227 29.139 29.460 -0.155 0.000 1.140 248 W HN 0.413 nan 8.180 nan 0.000 0.523 249 E N -0.270 119.979 120.200 0.082 0.000 2.268 249 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 249 E C 0.731 177.306 176.600 -0.042 0.000 0.995 249 E CA 1.116 57.534 56.400 0.029 0.000 0.836 249 E CB -0.142 29.596 29.700 0.063 0.000 0.763 249 E HN -0.009 nan 8.360 nan 0.000 0.491 250 K N 0.085 120.450 120.400 -0.058 0.000 2.896 250 K HA 0.176 4.496 4.320 -0.000 0.000 0.228 250 K C -0.230 176.333 176.600 -0.061 0.000 1.151 250 K CA -0.107 56.149 56.287 -0.052 0.000 1.035 250 K CB 0.276 32.769 32.500 -0.011 0.000 1.263 250 K HN -0.187 nan 8.250 nan 0.000 0.574 251 K N 0.869 121.200 120.400 -0.115 0.000 2.217 251 K HA 0.060 4.380 4.320 -0.000 0.000 0.202 251 K C 0.701 177.307 176.600 0.010 0.000 1.051 251 K CA 0.743 56.974 56.287 -0.095 0.000 0.952 251 K CB 0.125 32.511 32.500 -0.189 0.000 0.736 251 K HN 0.758 nan 8.250 nan 0.000 0.453 252 G N 1.682 110.491 108.800 0.015 0.000 2.570 252 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 252 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 252 G C -3.203 171.700 174.900 0.005 0.000 1.257 252 G CA -1.037 44.075 45.100 0.020 0.000 0.846 252 G HN -0.101 nan 8.290 nan 0.000 0.627 253 P HA 0.552 nan 4.420 nan 0.000 0.285 253 P C 0.727 177.804 177.300 -0.372 0.000 1.269 253 P CA 0.419 63.455 63.100 -0.108 0.000 0.844 253 P CB 1.806 33.481 31.700 -0.041 0.000 1.094 254 A N 1.814 124.378 122.820 -0.426 0.000 2.014 254 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 254 A C 1.117 178.574 177.584 -0.213 0.000 1.163 254 A CA 1.654 53.283 52.037 -0.679 0.000 0.652 254 A CB -1.012 17.810 19.000 -0.295 0.000 0.808 254 A HN 0.720 nan 8.150 nan 0.000 0.449 255 T N -6.591 107.895 114.554 -0.114 0.000 2.901 255 T HA 0.539 4.889 4.350 -0.000 0.000 0.293 255 T C 0.688 175.301 174.700 -0.145 0.000 1.084 255 T CA 0.181 62.204 62.100 -0.129 0.000 1.008 255 T CB 1.335 69.980 68.868 -0.371 0.000 1.170 255 T HN 1.715 nan 8.240 nan 0.000 0.509 256 G N 1.072 109.662 108.800 -0.350 0.000 2.160 256 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.251 256 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.251 256 G C -0.098 174.648 174.900 -0.256 0.000 1.008 256 G CA 0.370 45.292 45.100 -0.296 0.000 0.724 256 G HN 1.247 nan 8.290 nan 0.000 0.514 257 F N 0.610 120.479 119.950 -0.134 0.000 2.375 257 F HA 0.794 5.321 4.527 -0.000 0.000 0.313 257 F C 0.966 176.703 175.800 -0.103 0.000 1.176 257 F CA -0.706 57.225 58.000 -0.116 0.000 1.142 257 F CB -0.116 38.802 39.000 -0.136 0.000 1.275 257 F HN 0.292 nan 8.300 nan 0.000 0.544 258 T N -2.970 111.694 114.554 0.185 0.000 2.847 258 T HA 0.282 4.632 4.350 -0.000 0.000 0.279 258 T C 1.231 176.001 174.700 0.116 0.000 0.984 258 T CA 0.037 62.182 62.100 0.076 0.000 0.988 258 T CB 1.062 69.981 68.868 0.085 0.000 1.040 258 T HN 0.899 nan 8.240 nan 0.000 0.528 259 T N -1.305 113.251 114.554 0.004 0.000 2.788 259 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 259 T C 1.353 176.139 174.700 0.144 0.000 1.044 259 T CA 1.389 63.456 62.100 -0.056 0.000 1.139 259 T CB -0.754 68.161 68.868 0.079 0.000 0.867 259 T HN 0.604 nan 8.240 nan 0.000 0.454 260 D N 1.688 122.244 120.400 0.260 0.000 2.123 260 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 260 D C 2.250 178.712 176.300 0.271 0.000 0.992 260 D CA 1.322 55.525 54.000 0.338 0.000 0.833 260 D CB -0.292 40.649 40.800 0.235 0.000 0.954 260 D HN 0.655 nan 8.370 nan 0.000 0.455 261 E N -0.201 120.114 120.200 0.192 0.000 2.150 261 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 261 E C 1.984 178.603 176.600 0.032 0.000 0.985 261 E CA 0.232 56.694 56.400 0.104 0.000 0.814 261 E CB -0.109 29.635 29.700 0.074 0.000 0.752 261 E HN 0.446 nan 8.360 nan 0.000 0.466 262 W N 0.825 122.052 121.300 -0.121 0.000 2.333 262 W HA -0.228 4.432 4.660 -0.000 0.000 0.316 262 W C 1.205 177.670 176.519 -0.089 0.000 1.215 262 W CA 1.425 58.627 57.345 -0.239 0.000 1.278 262 W CB -0.718 28.483 29.460 -0.433 0.000 1.154 262 W HN 0.157 nan 8.180 nan 0.000 0.486 263 W N 0.352 121.882 121.300 0.383 0.000 2.381 263 W HA -0.181 4.479 4.660 -0.000 0.000 0.301 263 W C 2.497 179.073 176.519 0.094 0.000 1.205 263 W CA 0.982 58.487 57.345 0.267 0.000 1.285 263 W CB -0.999 28.639 29.460 0.295 0.000 1.133 263 W HN -0.365 nan 8.180 nan 0.000 0.521 264 V N 0.276 120.373 119.914 0.304 0.000 2.343 264 V HA -0.296 3.823 4.120 -0.000 0.000 0.247 264 V C 2.099 178.245 176.094 0.085 0.000 1.051 264 V CA 2.348 64.750 62.300 0.170 0.000 1.036 264 V CB -1.280 30.622 31.823 0.130 0.000 0.654 264 V HN 0.199 nan 8.190 nan 0.000 0.451 265 T N 0.498 115.054 114.554 0.003 0.000 2.708 265 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 265 T C 1.860 176.521 174.700 -0.066 0.000 1.037 265 T CA 1.551 63.613 62.100 -0.063 0.000 1.146 265 T CB -0.271 68.482 68.868 -0.191 0.000 0.865 265 T HN 0.302 nan 8.240 nan 0.000 0.435 266 L N 0.410 121.562 121.223 -0.119 0.000 2.093 266 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 266 L C 2.639 179.545 176.870 0.059 0.000 1.085 266 L CA 1.054 55.849 54.840 -0.074 0.000 0.755 266 L CB -0.468 41.528 42.059 -0.104 0.000 0.904 266 L HN 0.169 nan 8.230 nan 0.000 0.435 267 K N 1.016 121.484 120.400 0.114 0.000 2.057 267 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 267 K C 2.032 178.718 176.600 0.145 0.000 1.049 267 K CA 1.543 57.908 56.287 0.129 0.000 0.931 267 K CB -0.011 32.566 32.500 0.128 0.000 0.714 267 K HN 0.099 nan 8.250 nan 0.000 0.440 268 K N -0.365 120.122 120.400 0.144 0.000 2.097 268 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 268 K C 2.096 178.909 176.600 0.354 0.000 1.050 268 K CA 1.044 57.471 56.287 0.234 0.000 0.938 268 K CB -0.168 32.444 32.500 0.186 0.000 0.718 268 K HN 0.223 nan 8.250 nan 0.000 0.442 269 A N 1.579 124.525 122.820 0.210 0.000 1.902 269 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 269 A C 2.036 179.729 177.584 0.182 0.000 1.181 269 A CA 1.201 53.358 52.037 0.199 0.000 0.623 269 A CB -0.586 18.451 19.000 0.062 0.000 0.818 269 A HN 0.169 nan 8.150 nan 0.000 0.443 270 L N -1.755 119.551 121.223 0.138 0.000 2.362 270 L HA -0.101 4.239 4.340 -0.000 0.000 0.219 270 L C 2.272 179.216 176.870 0.123 0.000 1.134 270 L CA 0.696 55.588 54.840 0.088 0.000 0.807 270 L CB -0.501 41.610 42.059 0.087 0.000 0.927 270 L HN 0.486 nan 8.230 nan 0.000 0.447 271 F N 0.905 120.869 119.950 0.024 0.000 2.373 271 F HA -0.265 4.262 4.527 0.000 0.000 0.300 271 F C 2.310 177.999 175.800 -0.185 0.000 1.080 271 F CA 1.123 59.084 58.000 -0.065 0.000 1.417 271 F CB -0.137 38.824 39.000 -0.064 0.000 1.070 271 F HN 0.074 nan 8.300 nan 0.000 0.546 272 M N 0.573 120.072 119.600 -0.169 0.000 2.144 272 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 272 M C 1.781 177.897 176.300 -0.308 0.000 1.067 272 M CA 2.152 57.285 55.300 -0.277 0.000 1.095 272 M CB -0.807 31.703 32.600 -0.151 0.000 1.365 272 M HN 0.175 nan 8.290 nan 0.000 0.406 273 D N -0.676 119.600 120.400 -0.208 0.000 2.097 273 D HA -0.184 4.455 4.640 -0.000 0.000 0.197 273 D C 2.150 178.337 176.300 -0.188 0.000 0.984 273 D CA 1.499 55.422 54.000 -0.127 0.000 0.826 273 D CB -0.198 40.603 40.800 0.001 0.000 0.973 273 D HN 0.453 nan 8.370 nan 0.000 0.460 274 R N -0.194 120.159 120.500 -0.245 0.000 2.083 274 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 274 R C 2.441 178.534 176.300 -0.345 0.000 1.137 274 R CA 1.124 57.067 56.100 -0.261 0.000 0.951 274 R CB -0.344 29.824 30.300 -0.221 0.000 0.851 274 R HN 0.251 nan 8.270 nan 0.000 0.434 275 L N 0.069 120.951 121.223 -0.570 0.000 1.989 275 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 275 L C 2.506 179.344 176.870 -0.053 0.000 1.071 275 L CA 1.306 55.957 54.840 -0.314 0.000 0.749 275 L CB -0.533 41.230 42.059 -0.493 0.000 0.890 275 L HN 0.103 nan 8.230 nan 0.000 0.431 276 V N -0.512 119.285 119.914 -0.194 0.000 2.332 276 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 276 V C 2.567 178.509 176.094 -0.254 0.000 1.055 276 V CA 2.372 64.536 62.300 -0.227 0.000 1.038 276 V CB -0.818 30.753 31.823 -0.420 0.000 0.651 276 V HN 0.508 nan 8.190 nan 0.000 0.450 277 T N -0.317 114.060 114.554 -0.295 0.000 2.674 277 T HA -0.221 4.129 4.350 -0.000 0.000 0.265 277 T C 1.938 176.579 174.700 -0.099 0.000 1.039 277 T CA 1.674 63.699 62.100 -0.125 0.000 1.150 277 T CB -0.216 68.633 68.868 -0.031 0.000 0.864 277 T HN 0.479 nan 8.240 nan 0.000 0.427 278 K N -0.081 120.225 120.400 -0.158 0.000 2.103 278 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 278 K C 2.343 178.802 176.600 -0.233 0.000 1.052 278 K CA 0.894 57.000 56.287 -0.301 0.000 0.945 278 K CB -0.167 31.974 32.500 -0.600 0.000 0.722 278 K HN 0.455 nan 8.250 nan 0.000 0.443 279 H N 0.264 119.354 119.070 0.033 0.000 2.389 279 H HA 0.006 4.562 4.556 -0.000 0.000 0.299 279 H C 2.212 177.562 175.328 0.036 0.000 1.081 279 H CA 1.177 57.286 56.048 0.101 0.000 1.345 279 H CB 0.151 29.973 29.762 0.101 0.000 1.393 279 H HN 0.091 nan 8.280 nan 0.000 0.520 280 S N 0.538 116.298 115.700 0.101 0.000 2.382 280 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 280 S C 2.442 177.069 174.600 0.045 0.000 1.027 280 S CA 0.778 59.016 58.200 0.064 0.000 0.991 280 S CB -0.160 63.065 63.200 0.042 0.000 0.823 280 S HN 0.518 nan 8.310 nan 0.000 0.469 281 A N 1.399 124.221 122.820 0.004 0.000 1.933 281 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 281 A C 2.040 179.625 177.584 0.001 0.000 1.175 281 A CA 1.160 53.186 52.037 -0.019 0.000 0.628 281 A CB -0.645 18.312 19.000 -0.071 0.000 0.814 281 A HN 0.491 nan 8.150 nan 0.000 0.444 282 I N -0.737 119.850 120.570 0.029 0.000 2.252 282 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 282 I C 2.656 178.887 176.117 0.190 0.000 1.102 282 I CA 1.434 62.799 61.300 0.108 0.000 1.385 282 I CB -0.317 37.771 38.000 0.147 0.000 1.064 282 I HN 0.325 nan 8.210 nan 0.000 0.414 283 M N 0.057 119.753 119.600 0.159 0.000 2.202 283 M HA -0.223 4.257 4.480 -0.000 0.000 0.262 283 M C 1.617 177.989 176.300 0.121 0.000 1.063 283 M CA 1.544 56.940 55.300 0.160 0.000 1.097 283 M CB -0.569 32.098 32.600 0.112 0.000 1.382 283 M HN 0.174 nan 8.290 nan 0.000 0.413 284 D N 0.151 120.590 120.400 0.065 0.000 2.178 284 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 284 D C 2.116 178.402 176.300 -0.024 0.000 0.980 284 D CA 1.113 55.125 54.000 0.021 0.000 0.842 284 D CB -0.248 40.554 40.800 0.003 0.000 0.948 284 D HN 0.168 nan 8.370 nan 0.000 0.472 285 V N 0.170 120.044 119.914 -0.067 0.000 2.343 285 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 285 V C 1.767 177.649 176.094 -0.354 0.000 1.051 285 V CA 1.497 63.642 62.300 -0.257 0.000 1.036 285 V CB -0.547 31.030 31.823 -0.410 0.000 0.654 285 V HN 0.229 nan 8.190 nan 0.000 0.451 286 Y N -0.969 119.326 120.300 -0.008 0.000 2.497 286 Y HA 0.234 4.784 4.550 -0.000 0.000 0.265 286 Y C 1.045 176.933 175.900 -0.019 0.000 1.111 286 Y CA 0.482 58.574 58.100 -0.014 0.000 1.288 286 Y CB 0.394 38.847 38.460 -0.012 0.000 1.082 286 Y HN 0.302 nan 8.280 nan 0.000 0.536 287 D N -0.190 120.276 120.400 0.110 0.000 2.735 287 D HA 0.171 4.811 4.640 -0.000 0.000 0.291 287 D C -2.247 174.070 176.300 0.029 0.000 1.205 287 D CA -2.063 51.972 54.000 0.059 0.000 0.777 287 D CB 0.763 41.602 40.800 0.065 0.000 1.234 287 D HN -0.099 nan 8.370 nan 0.000 0.520 288 P HA -0.068 nan 4.420 nan 0.000 0.220 288 P C 0.460 177.761 177.300 0.001 0.000 1.148 288 P CA 0.777 63.875 63.100 -0.004 0.000 0.803 288 P CB 0.469 32.158 31.700 -0.020 0.000 0.782 289 D N 0.270 120.670 120.400 0.001 0.000 2.363 289 D HA -0.011 4.629 4.640 -0.000 0.000 0.226 289 D C 0.504 176.809 176.300 0.009 0.000 1.020 289 D CA 0.274 54.274 54.000 0.001 0.000 0.892 289 D CB -0.306 40.490 40.800 -0.005 0.000 0.900 289 D HN 0.210 nan 8.370 nan 0.000 0.531 290 K N -0.026 120.383 120.400 0.016 0.000 3.096 290 K HA -0.270 4.050 4.320 -0.000 0.000 0.266 290 K C 1.149 177.766 176.600 0.027 0.000 1.043 290 K CA 0.316 56.618 56.287 0.026 0.000 0.758 290 K CB -1.264 31.252 32.500 0.027 0.000 1.260 290 K HN 0.184 nan 8.250 nan 0.000 0.481 291 R N 1.098 121.609 120.500 0.017 0.000 2.075 291 R HA -0.009 4.331 4.340 -0.000 0.000 0.232 291 R C 0.781 177.114 176.300 0.054 0.000 1.126 291 R CA 1.033 57.141 56.100 0.012 0.000 0.963 291 R CB 0.116 30.392 30.300 -0.041 0.000 0.858 291 R HN 0.321 nan 8.270 nan 0.000 0.435 292 I N 2.856 123.456 120.570 0.049 0.000 2.416 292 I HA 0.009 4.179 4.170 -0.000 0.000 0.288 292 I C -0.478 175.682 176.117 0.071 0.000 1.051 292 I CA -0.517 60.834 61.300 0.084 0.000 1.375 292 I CB 1.030 39.063 38.000 0.054 0.000 1.407 292 I HN 0.099 nan 8.210 nan 0.000 0.516 293 D N 6.060 126.504 120.400 0.073 0.000 2.414 293 D HA 0.150 4.790 4.640 -0.000 0.000 0.242 293 D C -0.269 176.032 176.300 0.001 0.000 1.129 293 D CA -0.214 53.792 54.000 0.011 0.000 0.885 293 D CB 1.058 41.835 40.800 -0.039 0.000 1.198 293 D HN 0.136 nan 8.370 nan 0.000 0.437 294 L N 2.883 124.095 121.223 -0.019 0.000 2.276 294 L HA 0.370 4.710 4.340 -0.000 0.000 0.286 294 L C -0.711 176.105 176.870 -0.090 0.000 1.061 294 L CA -0.095 54.723 54.840 -0.038 0.000 0.807 294 L CB 0.435 42.474 42.059 -0.032 0.000 1.177 294 L HN 0.310 nan 8.230 nan 0.000 0.429 295 I N 6.325 126.847 120.570 -0.080 0.000 2.420 295 I HA 0.216 4.386 4.170 -0.000 0.000 0.282 295 I C -0.490 175.578 176.117 -0.082 0.000 1.019 295 I CA -0.750 60.487 61.300 -0.105 0.000 1.130 295 I CB 1.653 39.613 38.000 -0.067 0.000 1.262 295 I HN 0.238 nan 8.210 nan 0.000 0.454 296 V N 5.584 125.389 119.914 -0.183 0.000 2.153 296 V HA 0.021 4.141 4.120 -0.000 0.000 0.250 296 V C 0.745 176.843 176.094 0.006 0.000 1.334 296 V CA -0.232 62.002 62.300 -0.110 0.000 1.249 296 V CB -0.356 31.297 31.823 -0.282 0.000 1.371 296 V HN 0.766 nan 8.190 nan 0.000 0.498 297 D N 1.213 121.635 120.400 0.037 0.000 2.328 297 D HA 0.029 4.669 4.640 -0.000 0.000 0.221 297 D C 0.324 176.432 176.300 -0.321 0.000 1.072 297 D CA 0.045 54.018 54.000 -0.045 0.000 0.850 297 D CB 0.376 41.205 40.800 0.049 0.000 0.922 297 D HN 0.597 nan 8.370 nan 0.000 0.516 298 E N 0.472 120.453 120.200 -0.364 0.000 2.287 298 E HA 0.374 4.724 4.350 -0.000 0.000 0.274 298 E C -0.995 175.418 176.600 -0.312 0.000 0.896 298 E CA -0.906 55.187 56.400 -0.512 0.000 0.788 298 E CB 1.911 31.050 29.700 -0.936 0.000 1.244 298 E HN 0.304 nan 8.360 nan 0.000 0.408 299 W N 1.740 122.784 121.300 -0.426 0.000 3.005 299 W HA 0.750 5.410 4.660 -0.000 0.000 0.343 299 W C -0.530 175.853 176.519 -0.228 0.000 1.243 299 W CA -0.479 56.646 57.345 -0.366 0.000 1.186 299 W CB 0.642 30.083 29.460 -0.031 0.000 1.453 299 W HN 0.804 nan 8.180 nan 0.000 0.575 300 G N 0.852 109.669 108.800 0.029 0.000 2.354 300 G HA2 0.363 4.323 3.960 -0.000 0.000 0.582 300 G HA3 0.363 4.323 3.960 -0.000 0.000 0.582 300 G C -0.709 174.199 174.900 0.013 0.000 1.316 300 G CA -0.304 44.727 45.100 -0.114 0.000 0.995 300 G HN 1.162 nan 8.290 nan 0.000 0.573 301 T N -1.968 112.511 114.554 -0.124 0.000 2.913 301 T HA 0.589 4.939 4.350 -0.000 0.000 0.287 301 T C -0.645 173.854 174.700 -0.335 0.000 1.008 301 T CA -0.258 61.667 62.100 -0.292 0.000 1.067 301 T CB 2.070 70.601 68.868 -0.561 0.000 0.996 301 T HN 1.359 nan 8.240 nan 0.000 0.513 302 W N 3.474 124.395 121.300 -0.631 0.000 2.687 302 W HA 0.506 5.165 4.660 -0.000 0.000 0.328 302 W C -2.401 173.762 176.519 -0.592 0.000 1.012 302 W CA -2.075 54.939 57.345 -0.551 0.000 1.262 302 W CB 0.785 29.995 29.460 -0.415 0.000 1.331 302 W HN 0.760 nan 8.180 nan 0.000 0.433 303 Y N 2.212 122.616 120.300 0.174 0.000 2.654 303 Y HA 0.398 4.948 4.550 0.000 0.000 0.327 303 Y C 0.960 176.894 175.900 0.057 0.000 1.122 303 Y CA -0.906 57.216 58.100 0.037 0.000 1.227 303 Y CB 0.458 38.893 38.460 -0.042 0.000 1.370 303 Y HN 0.124 nan 8.280 nan 0.000 0.528 304 D N 0.870 121.370 120.400 0.167 0.000 2.399 304 D HA 0.223 4.863 4.640 -0.000 0.000 0.241 304 D C 0.086 176.448 176.300 0.104 0.000 1.133 304 D CA 0.040 54.091 54.000 0.085 0.000 0.890 304 D CB 1.114 41.934 40.800 0.033 0.000 1.201 304 D HN 0.399 nan 8.370 nan 0.000 0.432 305 V N -0.477 119.493 119.914 0.093 0.000 3.376 305 V HA 0.106 4.226 4.120 -0.000 0.000 0.303 305 V C 0.624 176.766 176.094 0.080 0.000 1.100 305 V CA -0.665 61.690 62.300 0.092 0.000 1.126 305 V CB 0.513 32.408 31.823 0.120 0.000 1.085 305 V HN 0.276 nan 8.190 nan 0.000 0.480 306 E N 1.984 122.249 120.200 0.109 0.000 2.413 306 E HA 0.240 4.590 4.350 -0.000 0.000 0.263 306 E C -2.350 174.300 176.600 0.084 0.000 1.015 306 E CA -2.046 54.415 56.400 0.102 0.000 0.916 306 E CB -0.049 29.768 29.700 0.195 0.000 0.947 306 E HN 0.635 nan 8.360 nan 0.000 0.440 307 P HA -0.042 nan 4.420 nan 0.000 0.261 307 P C 0.752 178.070 177.300 0.030 0.000 1.173 307 P CA 1.239 64.358 63.100 0.032 0.000 0.760 307 P CB 0.337 32.049 31.700 0.021 0.000 0.783 308 G N 1.621 110.430 108.800 0.016 0.000 2.179 308 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 308 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 308 G C 0.373 175.264 174.900 -0.015 0.000 0.977 308 G CA 0.424 45.523 45.100 -0.001 0.000 0.641 308 G HN 0.826 nan 8.290 nan 0.000 0.533 309 T N -1.460 113.097 114.554 0.005 0.000 2.927 309 T HA 0.584 4.934 4.350 -0.000 0.000 0.281 309 T C 0.200 174.874 174.700 -0.044 0.000 0.998 309 T CA -0.144 61.944 62.100 -0.019 0.000 1.019 309 T CB 1.814 70.714 68.868 0.054 0.000 1.061 309 T HN 0.299 nan 8.240 nan 0.000 0.518 310 N N 2.438 121.053 118.700 -0.143 0.000 2.452 310 N HA 0.150 4.890 4.740 -0.000 0.000 0.266 310 N C -1.330 174.175 175.510 -0.009 0.000 1.175 310 N CA -2.104 50.832 53.050 -0.191 0.000 0.945 310 N CB 1.037 39.162 38.487 -0.602 0.000 1.063 310 N HN 0.416 nan 8.380 nan 0.000 0.472 311 P HA -0.007 nan 4.420 nan 0.000 0.226 311 P C 0.994 178.450 177.300 0.260 0.000 1.153 311 P CA 0.656 63.841 63.100 0.141 0.000 0.777 311 P CB 0.090 31.860 31.700 0.116 0.000 0.794 312 G N -1.246 107.728 108.800 0.291 0.000 2.598 312 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 312 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 312 G C 0.902 176.235 174.900 0.722 0.000 1.131 312 G CA 0.059 45.471 45.100 0.520 0.000 0.785 312 G HN 0.121 nan 8.290 nan 0.000 0.539 313 F N -0.093 119.953 119.950 0.160 0.000 2.754 313 F HA 0.374 4.901 4.527 0.000 0.000 0.297 313 F C 1.558 177.327 175.800 -0.052 0.000 1.122 313 F CA -1.125 56.902 58.000 0.045 0.000 1.400 313 F CB -0.134 38.884 39.000 0.030 0.000 1.117 313 F HN -0.069 nan 8.300 nan 0.000 0.587 314 L N -0.944 120.376 121.223 0.161 0.000 4.001 314 L HA -0.321 4.019 4.340 -0.000 0.000 0.413 314 L C -0.400 176.435 176.870 -0.058 0.000 1.185 314 L CA 0.108 54.913 54.840 -0.059 0.000 0.963 314 L CB -2.481 39.345 42.059 -0.389 0.000 1.976 314 L HN 0.132 nan 8.230 nan 0.000 0.939 315 Y N 3.332 123.613 120.300 -0.032 0.000 2.480 315 Y HA 0.368 4.918 4.550 -0.000 0.000 0.341 315 Y C 0.802 176.689 175.900 -0.023 0.000 1.031 315 Y CA 0.197 58.277 58.100 -0.033 0.000 1.295 315 Y CB 0.533 39.013 38.460 0.033 0.000 1.162 315 Y HN 0.327 nan 8.280 nan 0.000 0.523 316 Q N 4.102 123.602 119.800 -0.501 0.000 2.389 316 Q HA 0.414 4.754 4.340 -0.000 0.000 0.277 316 Q C -1.276 174.458 176.000 -0.443 0.000 1.082 316 Q CA -1.362 54.248 55.803 -0.323 0.000 0.810 316 Q CB 2.002 30.701 28.738 -0.067 0.000 1.374 316 Q HN 0.611 nan 8.270 nan 0.000 0.422 317 Q N 1.353 120.978 119.800 -0.292 0.000 2.526 317 Q HA 0.321 4.661 4.340 -0.000 0.000 0.207 317 Q C -1.135 174.782 176.000 -0.138 0.000 1.078 317 Q CA 0.090 55.737 55.803 -0.260 0.000 1.041 317 Q CB 0.780 29.354 28.738 -0.273 0.000 1.228 317 Q HN 0.739 nan 8.270 nan 0.000 0.603 318 N N 0.243 118.887 118.700 -0.093 0.000 2.519 318 N HA 0.310 5.050 4.740 -0.000 0.000 0.291 318 N C -1.831 173.715 175.510 0.060 0.000 1.107 318 N CA -0.017 53.029 53.050 -0.006 0.000 0.904 318 N CB 1.174 39.637 38.487 -0.039 0.000 1.500 318 N HN 0.684 nan 8.380 nan 0.000 0.510 319 S N 2.401 118.161 115.700 0.101 0.000 2.810 319 S HA 0.424 4.894 4.470 -0.000 0.000 0.315 319 S C 1.247 175.952 174.600 0.175 0.000 1.138 319 S CA -0.643 57.659 58.200 0.170 0.000 0.889 319 S CB 1.006 64.343 63.200 0.229 0.000 1.236 319 S HN 0.322 nan 8.310 nan 0.000 0.548 320 I N 1.301 122.003 120.570 0.219 0.000 2.423 320 I HA -0.090 4.080 4.170 -0.000 0.000 0.254 320 I C 2.628 178.877 176.117 0.221 0.000 1.151 320 I CA 1.423 62.859 61.300 0.226 0.000 1.421 320 I CB -0.479 37.674 38.000 0.255 0.000 1.079 320 I HN 0.832 nan 8.210 nan 0.000 0.431 321 R N 0.400 121.045 120.500 0.241 0.000 2.083 321 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 321 R C 1.886 178.104 176.300 -0.136 0.000 1.137 321 R CA 2.125 58.149 56.100 -0.126 0.000 0.951 321 R CB -0.430 29.764 30.300 -0.177 0.000 0.851 321 R HN 0.444 nan 8.270 nan 0.000 0.434 322 D N 0.146 120.546 120.400 0.001 0.000 2.144 322 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 322 D C 1.766 178.072 176.300 0.010 0.000 0.984 322 D CA 1.358 55.369 54.000 0.018 0.000 0.834 322 D CB -0.114 40.724 40.800 0.063 0.000 0.955 322 D HN 0.415 nan 8.370 nan 0.000 0.465 323 A N 1.183 124.021 122.820 0.031 0.000 1.908 323 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 323 A C 2.394 179.948 177.584 -0.050 0.000 1.181 323 A CA 0.971 53.013 52.037 0.008 0.000 0.627 323 A CB -0.805 18.226 19.000 0.052 0.000 0.818 323 A HN 0.161 nan 8.150 nan 0.000 0.445 324 L N -0.715 120.480 121.223 -0.048 0.000 2.056 324 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 324 L C 2.553 179.356 176.870 -0.112 0.000 1.078 324 L CA 1.003 55.794 54.840 -0.081 0.000 0.749 324 L CB -0.448 41.552 42.059 -0.099 0.000 0.901 324 L HN 0.249 nan 8.230 nan 0.000 0.433 325 V N 0.032 119.881 119.914 -0.108 0.000 2.332 325 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 325 V C 2.705 178.810 176.094 0.018 0.000 1.055 325 V CA 1.975 64.247 62.300 -0.046 0.000 1.038 325 V CB -0.956 30.862 31.823 -0.008 0.000 0.651 325 V HN 0.516 nan 8.190 nan 0.000 0.450 326 A N 0.330 123.175 122.820 0.043 0.000 1.855 326 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 326 A C 2.449 179.926 177.584 -0.179 0.000 1.191 326 A CA 1.910 54.013 52.037 0.110 0.000 0.613 326 A CB -1.330 17.714 19.000 0.073 0.000 0.829 326 A HN 0.518 nan 8.150 nan 0.000 0.442 327 G N -0.460 108.156 108.800 -0.308 0.000 2.446 327 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 327 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 327 G C 1.760 176.403 174.900 -0.428 0.000 1.168 327 G CA 1.629 46.473 45.100 -0.427 0.000 0.771 327 G HN 0.830 nan 8.290 nan 0.000 0.551 328 A N -0.001 122.635 122.820 -0.307 0.000 1.930 328 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 328 A C 2.527 179.921 177.584 -0.317 0.000 1.175 328 A CA 2.400 54.283 52.037 -0.257 0.000 0.627 328 A CB -0.785 18.137 19.000 -0.130 0.000 0.815 328 A HN 0.306 nan 8.150 nan 0.000 0.443 329 T N 0.390 114.694 114.554 -0.416 0.000 2.812 329 T HA -0.025 4.325 4.350 -0.000 0.000 0.264 329 T C 1.798 175.855 174.700 -1.072 0.000 1.042 329 T CA 1.303 62.942 62.100 -0.768 0.000 1.140 329 T CB -0.352 67.951 68.868 -0.940 0.000 0.870 329 T HN 0.354 nan 8.240 nan 0.000 0.445 330 L N 0.174 120.952 121.223 -0.742 0.000 2.079 330 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 330 L C 2.523 179.053 176.870 -0.567 0.000 1.081 330 L CA 1.544 56.046 54.840 -0.563 0.000 0.752 330 L CB -0.662 41.216 42.059 -0.302 0.000 0.896 330 L HN 0.476 nan 8.230 nan 0.000 0.433 331 H N -0.634 118.100 119.070 -0.560 0.000 2.387 331 H HA -0.140 4.416 4.556 0.000 0.000 0.299 331 H C 2.415 177.554 175.328 -0.316 0.000 1.090 331 H CA 1.090 56.832 56.048 -0.510 0.000 1.332 331 H CB 0.150 29.757 29.762 -0.258 0.000 1.386 331 H HN 0.301 nan 8.280 nan 0.000 0.516 332 I N 0.386 120.822 120.570 -0.224 0.000 2.179 332 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 332 I C 1.773 177.897 176.117 0.012 0.000 1.088 332 I CA 1.004 62.216 61.300 -0.148 0.000 1.357 332 I CB -0.227 37.599 38.000 -0.290 0.000 1.051 332 I HN 0.140 nan 8.210 nan 0.000 0.409 333 F N 0.695 120.584 119.950 -0.100 0.000 2.120 333 F HA -0.252 4.275 4.527 -0.000 0.000 0.300 333 F C 2.568 178.421 175.800 0.089 0.000 1.095 333 F CA 1.396 59.367 58.000 -0.048 0.000 1.249 333 F CB -1.675 37.221 39.000 -0.172 0.000 0.995 333 F HN 0.204 nan 8.300 nan 0.000 0.480 334 H N -0.132 118.992 119.070 0.090 0.000 2.319 334 H HA -0.137 4.419 4.556 -0.000 0.000 0.297 334 H C 2.331 177.637 175.328 -0.037 0.000 1.097 334 H CA 1.065 57.112 56.048 -0.002 0.000 1.285 334 H CB -0.012 29.684 29.762 -0.110 0.000 1.368 334 H HN 0.085 nan 8.280 nan 0.000 0.495 335 R N 0.473 121.010 120.500 0.062 0.000 2.152 335 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 335 R C 0.683 176.832 176.300 -0.251 0.000 1.117 335 R CA 0.943 56.964 56.100 -0.131 0.000 0.981 335 R CB -0.274 29.889 30.300 -0.227 0.000 0.870 335 R HN 0.619 nan 8.270 nan 0.000 0.451 336 H N -0.170 118.934 119.070 0.055 0.000 2.488 336 H HA 0.095 4.651 4.556 -0.000 0.000 0.294 336 H C 1.502 176.855 175.328 0.042 0.000 1.088 336 H CA -0.082 55.993 56.048 0.045 0.000 1.086 336 H CB 0.063 29.858 29.762 0.055 0.000 1.569 336 H HN 0.277 nan 8.280 nan 0.000 0.548 337 C N 0.099 119.461 119.300 0.103 0.000 2.491 337 C HA -0.040 4.420 4.460 -0.000 0.000 0.277 337 C C 2.008 177.023 174.990 0.041 0.000 1.455 337 C CA 0.225 59.284 59.018 0.069 0.000 1.758 337 C CB -0.560 27.205 27.740 0.041 0.000 1.745 337 C HN 0.489 nan 8.230 nan 0.000 0.558 338 D N 1.219 121.644 120.400 0.042 0.000 2.312 338 D HA -0.158 4.482 4.640 -0.000 0.000 0.211 338 D C 2.046 178.369 176.300 0.039 0.000 0.964 338 D CA 1.201 55.220 54.000 0.032 0.000 0.877 338 D CB -0.339 40.477 40.800 0.026 0.000 0.924 338 D HN 0.590 nan 8.370 nan 0.000 0.515 339 R N 0.157 120.690 120.500 0.056 0.000 2.428 339 R HA 0.207 4.547 4.340 -0.000 0.000 0.193 339 R C -0.155 176.155 176.300 0.016 0.000 0.852 339 R CA 0.150 56.276 56.100 0.044 0.000 1.055 339 R CB 0.154 30.492 30.300 0.062 0.000 1.343 339 R HN -0.072 nan 8.270 nan 0.000 0.655 340 V N 3.315 123.242 119.914 0.021 0.000 2.427 340 V HA 0.285 4.405 4.120 -0.000 0.000 0.268 340 V C 0.569 176.621 176.094 -0.069 0.000 1.046 340 V CA 0.210 62.478 62.300 -0.053 0.000 0.970 340 V CB 1.217 33.005 31.823 -0.059 0.000 1.001 340 V HN 0.338 nan 8.190 nan 0.000 0.476 341 R N 3.682 124.119 120.500 -0.106 0.000 2.531 341 R HA 0.483 4.823 4.340 -0.000 0.000 0.316 341 R C -0.027 176.190 176.300 -0.139 0.000 0.955 341 R CA -0.064 55.982 56.100 -0.089 0.000 1.120 341 R CB 0.846 31.106 30.300 -0.066 0.000 1.361 341 R HN 0.686 nan 8.270 nan 0.000 0.534 342 M N 0.196 119.670 119.600 -0.209 0.000 2.414 342 M HA 0.584 5.064 4.480 -0.000 0.000 0.287 342 M C -2.199 173.920 176.300 -0.301 0.000 1.181 342 M CA -0.593 54.567 55.300 -0.233 0.000 0.933 342 M CB 2.332 34.752 32.600 -0.299 0.000 1.732 342 M HN 0.010 nan 8.290 nan 0.000 0.486 343 A N 3.054 125.725 122.820 -0.250 0.000 2.539 343 A HA 0.877 5.197 4.320 -0.000 0.000 0.296 343 A C -1.920 175.724 177.584 0.099 0.000 1.073 343 A CA -0.772 51.134 52.037 -0.219 0.000 0.700 343 A CB 1.836 20.383 19.000 -0.756 0.000 1.296 343 A HN 0.878 nan 8.150 nan 0.000 0.405 344 N N 0.646 119.485 118.700 0.231 0.000 2.549 344 N HA 0.382 5.122 4.740 -0.000 0.000 0.281 344 N C -0.953 174.492 175.510 -0.108 0.000 1.084 344 N CA -0.240 52.859 53.050 0.082 0.000 0.862 344 N CB 1.837 40.342 38.487 0.029 0.000 1.333 344 N HN 0.722 nan 8.380 nan 0.000 0.523 345 I N 1.417 121.739 120.570 -0.414 0.000 2.634 345 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 345 I C 0.225 176.060 176.117 -0.471 0.000 1.124 345 I CA -0.380 60.304 61.300 -1.026 0.000 1.417 345 I CB 0.635 37.948 38.000 -1.144 0.000 1.396 345 I HN 0.620 nan 8.210 nan 0.000 0.571 346 A N 7.950 130.516 122.820 -0.422 0.000 2.544 346 A HA 0.340 4.660 4.320 -0.000 0.000 0.301 346 A C -0.276 177.123 177.584 -0.308 0.000 1.368 346 A CA 0.026 51.990 52.037 -0.120 0.000 1.045 346 A CB -0.305 18.762 19.000 0.113 0.000 1.129 346 A HN 0.813 nan 8.150 nan 0.000 0.540 347 Q N 0.807 120.381 119.800 -0.377 0.000 2.058 347 Q HA -0.129 4.210 4.340 -0.000 0.000 0.261 347 Q C -0.147 175.638 176.000 -0.359 0.000 0.798 347 Q CA 0.094 55.593 55.803 -0.508 0.000 0.445 347 Q CB -1.145 27.185 28.738 -0.680 0.000 0.519 347 Q HN 0.744 nan 8.270 nan 0.000 0.320 348 L N 2.536 123.564 121.223 -0.325 0.000 2.046 348 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 348 L C 0.429 177.149 176.870 -0.249 0.000 1.077 348 L CA 1.914 56.599 54.840 -0.257 0.000 0.747 348 L CB 0.608 42.525 42.059 -0.237 0.000 0.896 348 L HN 0.467 nan 8.230 nan 0.000 0.432 349 V N 0.245 120.004 119.914 -0.259 0.000 2.733 349 V HA 0.367 4.487 4.120 -0.000 0.000 0.306 349 V C -0.042 175.948 176.094 -0.174 0.000 1.084 349 V CA -0.844 61.340 62.300 -0.194 0.000 0.905 349 V CB 1.582 33.296 31.823 -0.181 0.000 1.010 349 V HN 0.319 nan 8.190 nan 0.000 0.424 350 N N 1.162 119.821 118.700 -0.069 0.000 2.732 350 N HA -0.164 4.576 4.740 -0.000 0.000 0.250 350 N C -0.388 175.107 175.510 -0.024 0.000 1.097 350 N CA 1.248 54.346 53.050 0.080 0.000 0.812 350 N CB -0.611 37.933 38.487 0.095 0.000 1.148 350 N HN 0.551 nan 8.380 nan 0.000 0.572 351 V N 0.776 120.559 119.914 -0.218 0.000 2.668 351 V HA 0.435 4.555 4.120 -0.000 0.000 0.304 351 V C 1.128 176.976 176.094 -0.410 0.000 1.071 351 V CA -0.709 61.387 62.300 -0.339 0.000 0.894 351 V CB 2.025 33.566 31.823 -0.471 0.000 1.008 351 V HN 0.238 nan 8.190 nan 0.000 0.425 352 L N 1.815 122.762 121.223 -0.461 0.000 6.780 352 L HA -0.286 4.054 4.340 -0.000 0.000 0.053 352 L C 1.056 177.714 176.870 -0.353 0.000 1.778 352 L CA 1.184 55.730 54.840 -0.491 0.000 1.657 352 L CB -0.461 41.245 42.059 -0.589 0.000 2.738 352 L HN 0.775 nan 8.230 nan 0.000 1.065 353 Q N 0.958 120.565 119.800 -0.322 0.000 3.027 353 Q HA 0.219 4.559 4.340 -0.000 0.000 0.260 353 Q C -0.749 175.109 176.000 -0.238 0.000 1.379 353 Q CA -0.182 55.470 55.803 -0.252 0.000 1.038 353 Q CB 0.361 28.948 28.738 -0.250 0.000 1.578 353 Q HN 0.421 nan 8.270 nan 0.000 0.571 354 S N 0.195 115.763 115.700 -0.221 0.000 2.601 354 S HA 0.059 4.529 4.470 -0.000 0.000 0.271 354 S C 1.355 175.869 174.600 -0.143 0.000 1.305 354 S CA -0.519 57.559 58.200 -0.203 0.000 1.022 354 S CB 1.615 64.695 63.200 -0.198 0.000 0.940 354 S HN 0.546 nan 8.310 nan 0.000 0.525 355 V N 0.035 119.865 119.914 -0.140 0.000 2.951 355 V HA 0.352 4.472 4.120 -0.000 0.000 0.255 355 V C 0.355 176.416 176.094 -0.056 0.000 1.088 355 V CA 0.962 63.234 62.300 -0.046 0.000 1.109 355 V CB -0.790 31.011 31.823 -0.037 0.000 0.724 355 V HN 0.659 nan 8.190 nan 0.000 0.471 356 I N 0.142 120.646 120.570 -0.110 0.000 2.769 356 I HA 0.548 4.718 4.170 -0.000 0.000 0.298 356 I C -1.093 174.987 176.117 -0.063 0.000 1.128 356 I CA -0.634 60.596 61.300 -0.116 0.000 1.031 356 I CB 2.637 40.559 38.000 -0.130 0.000 1.235 356 I HN 0.009 nan 8.210 nan 0.000 0.423 357 L N 3.761 124.987 121.223 0.005 0.000 2.401 357 L HA 0.712 5.052 4.340 -0.000 0.000 0.266 357 L C -0.443 176.631 176.870 0.341 0.000 0.991 357 L CA -0.589 54.355 54.840 0.173 0.000 0.818 357 L CB 2.409 44.572 42.059 0.173 0.000 1.321 357 L HN 0.628 nan 8.230 nan 0.000 0.413 358 T N -1.739 113.010 114.554 0.325 0.000 2.916 358 T HA 0.591 4.941 4.350 -0.000 0.000 0.292 358 T C -0.820 173.792 174.700 -0.147 0.000 1.055 358 T CA -0.747 61.442 62.100 0.149 0.000 1.009 358 T CB 2.576 71.439 68.868 -0.008 0.000 1.118 358 T HN 0.691 nan 8.240 nan 0.000 0.497 359 E N 0.742 120.607 120.200 -0.558 0.000 2.528 359 E HA 0.473 4.823 4.350 -0.000 0.000 0.277 359 E C 0.728 177.078 176.600 -0.416 0.000 0.980 359 E CA -0.016 55.983 56.400 -0.669 0.000 0.796 359 E CB 0.221 29.114 29.700 -1.344 0.000 1.427 359 E HN 1.297 nan 8.360 nan 0.000 0.394 360 G N 4.328 112.978 108.800 -0.250 0.000 2.583 360 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.292 360 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.292 360 G C 0.745 175.554 174.900 -0.153 0.000 1.203 360 G CA 0.654 45.650 45.100 -0.174 0.000 0.987 360 G HN 0.718 nan 8.290 nan 0.000 0.554 361 E N 0.966 121.089 120.200 -0.127 0.000 2.478 361 E HA 0.094 4.444 4.350 -0.000 0.000 0.198 361 E C 1.216 177.764 176.600 -0.087 0.000 1.046 361 E CA 0.631 56.974 56.400 -0.096 0.000 0.870 361 E CB -0.022 29.633 29.700 -0.075 0.000 0.818 361 E HN 0.631 nan 8.360 nan 0.000 0.527 362 R N 1.029 121.452 120.500 -0.127 0.000 2.500 362 R HA 0.523 4.863 4.340 -0.000 0.000 0.277 362 R C 0.061 176.363 176.300 0.002 0.000 1.026 362 R CA -0.389 55.671 56.100 -0.066 0.000 1.058 362 R CB 1.096 31.340 30.300 -0.092 0.000 1.078 362 R HN 0.190 nan 8.270 nan 0.000 0.509 363 M N 0.627 120.316 119.600 0.148 0.000 2.622 363 M HA 0.618 5.098 4.480 -0.000 0.000 0.276 363 M C -1.737 174.680 176.300 0.196 0.000 1.265 363 M CA -1.299 54.142 55.300 0.235 0.000 0.850 363 M CB 2.039 34.674 32.600 0.059 0.000 1.720 363 M HN 0.462 nan 8.290 nan 0.000 0.465 364 L N -0.038 121.234 121.223 0.083 0.000 2.376 364 L HA 0.845 5.185 4.340 -0.000 0.000 0.258 364 L C -1.821 174.946 176.870 -0.172 0.000 1.013 364 L CA -0.869 53.916 54.840 -0.092 0.000 0.822 364 L CB 1.741 43.653 42.059 -0.246 0.000 1.388 364 L HN 0.851 nan 8.230 nan 0.000 0.413 365 L N 1.532 122.616 121.223 -0.231 0.000 2.275 365 L HA 0.664 5.004 4.340 -0.000 0.000 0.288 365 L C 0.564 177.301 176.870 -0.222 0.000 1.046 365 L CA -0.535 54.073 54.840 -0.387 0.000 0.805 365 L CB 1.682 43.346 42.059 -0.657 0.000 1.193 365 L HN 0.946 nan 8.230 nan 0.000 0.426 366 T N -0.667 113.796 114.554 -0.152 0.000 2.847 366 T HA 0.294 4.644 4.350 -0.000 0.000 0.279 366 T C -1.958 172.767 174.700 0.040 0.000 0.984 366 T CA -1.831 60.246 62.100 -0.039 0.000 0.988 366 T CB 1.324 70.173 68.868 -0.031 0.000 1.040 366 T HN 0.295 nan 8.240 nan 0.000 0.528 367 P HA -0.062 nan 4.420 nan 0.000 0.218 367 P C 1.532 178.930 177.300 0.163 0.000 1.148 367 P CA 1.081 64.315 63.100 0.224 0.000 0.822 367 P CB -0.260 31.540 31.700 0.167 0.000 0.784 368 T N -1.646 112.977 114.554 0.114 0.000 2.746 368 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 368 T C 1.570 176.401 174.700 0.218 0.000 1.039 368 T CA 1.172 63.361 62.100 0.148 0.000 1.142 368 T CB -1.157 67.772 68.868 0.101 0.000 0.866 368 T HN 0.113 nan 8.240 nan 0.000 0.444 369 Y N 1.882 122.169 120.300 -0.022 0.000 2.114 369 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 369 Y C 2.571 178.467 175.900 -0.007 0.000 1.165 369 Y CA 1.806 59.859 58.100 -0.078 0.000 1.148 369 Y CB -0.422 37.863 38.460 -0.292 0.000 0.972 369 Y HN 0.355 nan 8.280 nan 0.000 0.504 370 H N -1.246 117.961 119.070 0.228 0.000 2.387 370 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 370 H C 2.520 177.842 175.328 -0.009 0.000 1.090 370 H CA 1.635 57.758 56.048 0.125 0.000 1.332 370 H CB -0.659 29.195 29.762 0.153 0.000 1.386 370 H HN 0.350 nan 8.280 nan 0.000 0.516 371 V N 0.716 120.664 119.914 0.056 0.000 2.295 371 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 371 V C 2.275 178.218 176.094 -0.252 0.000 1.049 371 V CA 1.614 63.769 62.300 -0.243 0.000 1.024 371 V CB -0.809 30.782 31.823 -0.386 0.000 0.648 371 V HN 0.171 nan 8.190 nan 0.000 0.447 372 F N 0.661 120.538 119.950 -0.122 0.000 2.171 372 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 372 F C 2.371 178.142 175.800 -0.048 0.000 1.090 372 F CA 1.976 59.990 58.000 0.024 0.000 1.293 372 F CB -0.535 38.509 39.000 0.072 0.000 1.013 372 F HN 0.204 nan 8.300 nan 0.000 0.486 373 N N 0.160 118.824 118.700 -0.060 0.000 2.142 373 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 373 N C 1.723 177.248 175.510 0.026 0.000 1.023 373 N CA 1.393 54.382 53.050 -0.102 0.000 0.852 373 N CB -0.191 38.152 38.487 -0.240 0.000 0.998 373 N HN 0.188 nan 8.380 nan 0.000 0.424 374 M N -1.188 118.465 119.600 0.090 0.000 2.175 374 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 374 M C 0.792 177.238 176.300 0.243 0.000 1.063 374 M CA 0.984 56.382 55.300 0.164 0.000 1.119 374 M CB -0.103 32.631 32.600 0.223 0.000 1.377 374 M HN 0.046 nan 8.290 nan 0.000 0.415 375 F N 1.095 121.015 119.950 -0.049 0.000 2.797 375 F HA 0.028 4.555 4.527 0.000 0.000 0.302 375 F C 2.051 177.659 175.800 -0.320 0.000 1.130 375 F CA 0.332 58.297 58.000 -0.057 0.000 1.387 375 F CB -0.854 38.305 39.000 0.265 0.000 1.107 375 F HN 0.210 nan 8.300 nan 0.000 0.577 376 K N 0.639 120.966 120.400 -0.121 0.000 2.281 376 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 376 K C 1.651 178.056 176.600 -0.325 0.000 1.046 376 K CA 1.707 57.831 56.287 -0.272 0.000 0.938 376 K CB -0.976 31.453 32.500 -0.118 0.000 0.737 376 K HN 0.274 nan 8.250 nan 0.000 0.458 377 V N -1.216 118.459 119.914 -0.398 0.000 2.867 377 V HA -0.154 3.966 4.120 -0.000 0.000 0.260 377 V C 1.623 177.422 176.094 -0.491 0.000 1.099 377 V CA 1.317 63.274 62.300 -0.572 0.000 1.122 377 V CB -0.965 30.206 31.823 -1.087 0.000 0.708 377 V HN 0.338 nan 8.190 nan 0.000 0.490 378 H N 0.190 119.078 119.070 -0.303 0.000 2.544 378 H HA 0.246 4.802 4.556 -0.000 0.000 0.269 378 H C 1.001 176.218 175.328 -0.184 0.000 0.970 378 H CA 0.186 56.106 56.048 -0.212 0.000 1.219 378 H CB -0.033 29.684 29.762 -0.076 0.000 1.421 378 H HN 0.613 nan 8.280 nan 0.000 0.555 379 Q N 1.521 121.224 119.800 -0.162 0.000 2.263 379 Q HA -0.057 4.283 4.340 -0.000 0.000 0.289 379 Q C 0.007 176.006 176.000 -0.001 0.000 1.061 379 Q CA 0.181 55.947 55.803 -0.061 0.000 0.927 379 Q CB 0.447 29.129 28.738 -0.093 0.000 1.154 379 Q HN 0.263 nan 8.270 nan 0.000 0.378 380 D N -0.385 120.041 120.400 0.044 0.000 2.983 380 D HA -0.208 4.431 4.640 -0.000 0.000 0.225 380 D C -0.391 175.915 176.300 0.011 0.000 1.174 380 D CA 1.297 55.315 54.000 0.031 0.000 0.831 380 D CB -0.866 39.953 40.800 0.033 0.000 1.104 380 D HN 0.646 nan 8.370 nan 0.000 0.421 381 A N 0.072 122.892 122.820 0.000 0.000 2.287 381 A HA 0.415 4.735 4.320 -0.000 0.000 0.273 381 A C 0.519 178.091 177.584 -0.020 0.000 1.091 381 A CA -0.234 51.803 52.037 -0.001 0.000 0.817 381 A CB 0.700 19.715 19.000 0.024 0.000 1.069 381 A HN 0.089 nan 8.150 nan 0.000 0.492 382 E N 0.208 120.398 120.200 -0.017 0.000 2.194 382 E HA 0.278 4.628 4.350 -0.000 0.000 0.284 382 E C -0.934 175.633 176.600 -0.055 0.000 1.035 382 E CA -0.530 55.850 56.400 -0.033 0.000 0.836 382 E CB 1.152 30.837 29.700 -0.025 0.000 1.070 382 E HN 0.468 nan 8.360 nan 0.000 0.401 383 L N 4.745 125.921 121.223 -0.078 0.000 2.410 383 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 383 L C -0.970 175.848 176.870 -0.086 0.000 1.152 383 L CA 0.439 55.217 54.840 -0.103 0.000 0.855 383 L CB 0.248 42.244 42.059 -0.106 0.000 1.129 383 L HN 0.466 nan 8.230 nan 0.000 0.463 384 L N 4.007 125.170 121.223 -0.099 0.000 2.322 384 L HA 0.324 4.664 4.340 -0.000 0.000 0.279 384 L C -0.138 176.650 176.870 -0.136 0.000 1.036 384 L CA -0.871 53.903 54.840 -0.111 0.000 0.807 384 L CB 1.483 43.473 42.059 -0.116 0.000 1.226 384 L HN 0.606 nan 8.230 nan 0.000 0.433 385 D N 1.810 122.118 120.400 -0.154 0.000 2.450 385 D HA 0.149 4.789 4.640 -0.000 0.000 0.247 385 D C -0.367 175.743 176.300 -0.317 0.000 1.162 385 D CA 0.264 54.152 54.000 -0.188 0.000 0.879 385 D CB 0.732 41.426 40.800 -0.177 0.000 1.163 385 D HN 0.566 nan 8.370 nan 0.000 0.472 386 T N 1.654 116.056 114.554 -0.253 0.000 2.881 386 T HA 0.516 4.866 4.350 -0.000 0.000 0.290 386 T C -0.926 173.719 174.700 -0.091 0.000 1.000 386 T CA -1.051 60.885 62.100 -0.273 0.000 0.978 386 T CB 0.651 69.426 68.868 -0.155 0.000 0.997 386 T HN 0.274 nan 8.240 nan 0.000 0.443 387 W N 2.384 123.664 121.300 -0.033 0.000 2.551 387 W HA 0.668 5.327 4.660 -0.000 0.000 0.330 387 W C 0.274 176.782 176.519 -0.018 0.000 1.063 387 W CA -0.835 56.495 57.345 -0.025 0.000 1.222 387 W CB 1.051 30.500 29.460 -0.018 0.000 1.349 387 W HN 1.020 nan 8.180 nan 0.000 0.536 388 E N 0.003 120.329 120.200 0.210 0.000 2.413 388 E HA 0.587 4.937 4.350 -0.000 0.000 0.277 388 E C -1.619 175.035 176.600 0.091 0.000 0.958 388 E CA -0.922 55.550 56.400 0.121 0.000 0.779 388 E CB 2.218 31.962 29.700 0.074 0.000 1.278 388 E HN 0.077 nan 8.360 nan 0.000 0.456 389 S N 1.369 117.113 115.700 0.074 0.000 2.571 389 S HA 0.351 4.821 4.470 -0.000 0.000 0.238 389 S C -0.960 173.671 174.600 0.051 0.000 1.153 389 S CA -0.514 57.718 58.200 0.054 0.000 1.141 389 S CB 0.596 63.827 63.200 0.051 0.000 1.133 389 S HN 0.708 nan 8.310 nan 0.000 0.464 390 V N 2.747 122.690 119.914 0.047 0.000 2.630 390 V HA 0.759 4.879 4.120 -0.000 0.000 0.305 390 V C 0.151 176.271 176.094 0.043 0.000 1.046 390 V CA -0.919 61.411 62.300 0.050 0.000 0.934 390 V CB 1.432 33.289 31.823 0.057 0.000 1.003 390 V HN 0.908 nan 8.190 nan 0.000 0.451 391 E N 3.815 124.042 120.200 0.044 0.000 2.410 391 E HA 0.351 4.701 4.350 -0.000 0.000 0.255 391 E C -0.661 175.960 176.600 0.035 0.000 1.194 391 E CA -0.805 55.616 56.400 0.035 0.000 0.955 391 E CB 0.634 30.355 29.700 0.034 0.000 0.988 391 E HN 0.652 nan 8.360 nan 0.000 0.461 392 R N 0.256 120.767 120.500 0.018 0.000 2.674 392 R HA 0.542 4.882 4.340 -0.000 0.000 0.266 392 R C -0.163 176.134 176.300 -0.004 0.000 1.016 392 R CA -0.695 55.410 56.100 0.008 0.000 1.062 392 R CB 1.493 31.785 30.300 -0.013 0.000 1.142 392 R HN 0.755 nan 8.270 nan 0.000 0.517 393 T N -1.541 112.998 114.554 -0.026 0.000 2.762 393 T HA 0.599 4.949 4.350 -0.000 0.000 0.301 393 T C -0.652 173.871 174.700 -0.295 0.000 1.299 393 T CA 0.464 62.520 62.100 -0.073 0.000 1.005 393 T CB 1.351 70.270 68.868 0.085 0.000 1.377 393 T HN 0.878 nan 8.240 nan 0.000 0.504 394 G N 2.080 110.456 108.800 -0.707 0.000 2.828 394 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.463 394 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.463 394 G C -2.899 171.523 174.900 -0.798 0.000 1.394 394 G CA -0.709 43.481 45.100 -1.516 0.000 0.862 394 G HN 0.762 nan 8.290 nan 0.000 0.540 395 P HA 0.316 nan 4.420 nan 0.000 0.260 395 P C 0.277 177.445 177.300 -0.220 0.000 1.185 395 P CA 1.062 63.950 63.100 -0.354 0.000 0.763 395 P CB 0.071 31.622 31.700 -0.248 0.000 0.776 396 E N 2.379 122.489 120.200 -0.150 0.000 2.539 396 E HA -0.259 4.091 4.350 -0.000 0.000 0.253 396 E C 0.890 177.432 176.600 -0.097 0.000 1.145 396 E CA 0.562 56.904 56.400 -0.096 0.000 0.738 396 E CB -2.055 27.605 29.700 -0.065 0.000 1.308 396 E HN 0.915 nan 8.360 nan 0.000 0.409 397 G N 0.713 109.434 108.800 -0.132 0.000 2.321 397 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.287 397 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.287 397 G C 0.634 175.488 174.900 -0.077 0.000 1.018 397 G CA 1.169 46.206 45.100 -0.104 0.000 0.855 397 G HN 0.744 nan 8.290 nan 0.000 0.507 398 E N -1.244 118.897 120.200 -0.098 0.000 2.333 398 E HA 0.103 4.453 4.350 -0.000 0.000 0.198 398 E C 1.106 177.703 176.600 -0.005 0.000 1.007 398 E CA 0.398 56.771 56.400 -0.044 0.000 0.845 398 E CB 0.131 29.806 29.700 -0.043 0.000 0.766 398 E HN 0.603 nan 8.360 nan 0.000 0.507 399 L N 1.520 122.737 121.223 -0.010 0.000 2.333 399 L HA 0.471 4.811 4.340 -0.000 0.000 0.269 399 L C -2.372 174.534 176.870 0.060 0.000 1.010 399 L CA -3.078 51.798 54.840 0.060 0.000 0.818 399 L CB 1.884 44.031 42.059 0.147 0.000 1.306 399 L HN -0.136 nan 8.230 nan 0.000 0.430 400 P HA 0.079 nan 4.420 nan 0.000 0.276 400 P C -0.393 176.972 177.300 0.108 0.000 1.230 400 P CA -0.436 62.710 63.100 0.077 0.000 0.776 400 P CB 1.648 33.392 31.700 0.074 0.000 0.888 401 K N 2.549 123.007 120.400 0.098 0.000 2.097 401 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 401 K C 0.263 176.944 176.600 0.135 0.000 1.050 401 K CA 1.397 57.759 56.287 0.125 0.000 0.938 401 K CB -0.070 32.486 32.500 0.094 0.000 0.718 401 K HN 0.305 nan 8.250 nan 0.000 0.442 402 V N 0.061 120.042 119.914 0.112 0.000 2.823 402 V HA 0.352 4.472 4.120 -0.000 0.000 0.312 402 V C -1.086 175.076 176.094 0.114 0.000 1.072 402 V CA -0.955 61.413 62.300 0.113 0.000 0.937 402 V CB 1.784 33.664 31.823 0.095 0.000 1.013 402 V HN 0.153 nan 8.190 nan 0.000 0.430 403 S N 2.971 118.758 115.700 0.144 0.000 2.519 403 S HA 0.836 5.306 4.470 -0.000 0.000 0.309 403 S C -1.171 173.580 174.600 0.251 0.000 1.100 403 S CA -0.402 57.914 58.200 0.194 0.000 1.059 403 S CB 1.399 64.735 63.200 0.227 0.000 1.008 403 S HN 0.519 nan 8.310 nan 0.000 0.478 404 V N 3.419 123.376 119.914 0.072 0.000 2.789 404 V HA 0.811 4.931 4.120 -0.000 0.000 0.311 404 V C -0.262 175.602 176.094 -0.383 0.000 1.073 404 V CA -0.667 61.579 62.300 -0.089 0.000 0.921 404 V CB 2.022 33.824 31.823 -0.034 0.000 1.009 404 V HN 0.844 nan 8.190 nan 0.000 0.426 405 S N 2.171 117.545 115.700 -0.542 0.000 2.540 405 S HA 0.891 5.361 4.470 -0.000 0.000 0.275 405 S C -0.907 173.547 174.600 -0.243 0.000 1.123 405 S CA 0.073 57.978 58.200 -0.491 0.000 0.907 405 S CB 1.755 64.471 63.200 -0.806 0.000 1.081 405 S HN 1.362 nan 8.310 nan 0.000 0.476 406 A N 2.455 125.179 122.820 -0.160 0.000 2.371 406 A HA 0.897 5.217 4.320 -0.000 0.000 0.311 406 A C -0.351 177.202 177.584 -0.052 0.000 1.068 406 A CA -0.512 51.484 52.037 -0.069 0.000 0.744 406 A CB 1.488 20.433 19.000 -0.093 0.000 1.239 406 A HN 1.399 nan 8.150 nan 0.000 0.435 407 S N 1.354 117.083 115.700 0.048 0.000 2.618 407 S HA 0.804 5.274 4.470 -0.000 0.000 0.277 407 S C -0.725 173.908 174.600 0.055 0.000 1.138 407 S CA -0.870 57.354 58.200 0.040 0.000 0.844 407 S CB 1.735 64.997 63.200 0.103 0.000 1.127 407 S HN 0.933 nan 8.310 nan 0.000 0.474 408 R N 0.875 121.389 120.500 0.023 0.000 2.393 408 R HA 0.698 5.037 4.340 -0.000 0.000 0.315 408 R C 0.003 176.328 176.300 0.042 0.000 0.952 408 R CA -0.511 55.600 56.100 0.018 0.000 0.842 408 R CB 1.195 31.482 30.300 -0.022 0.000 1.163 408 R HN 0.968 nan 8.270 nan 0.000 0.450 409 A N 2.988 125.859 122.820 0.085 0.000 2.327 409 A HA 0.430 4.750 4.320 -0.000 0.000 0.255 409 A C 1.180 178.785 177.584 0.035 0.000 1.099 409 A CA 0.343 52.425 52.037 0.074 0.000 0.801 409 A CB 0.400 19.482 19.000 0.137 0.000 1.062 409 A HN 0.981 nan 8.150 nan 0.000 0.496 410 A N 0.245 123.080 122.820 0.025 0.000 1.972 410 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 410 A C 1.394 178.986 177.584 0.014 0.000 1.169 410 A CA 2.019 54.065 52.037 0.015 0.000 0.635 410 A CB -0.698 18.310 19.000 0.014 0.000 0.810 410 A HN 0.903 nan 8.150 nan 0.000 0.446 411 D N -1.835 118.578 120.400 0.021 0.000 2.352 411 D HA 0.237 4.877 4.640 -0.000 0.000 0.232 411 D C 1.189 177.492 176.300 0.005 0.000 1.055 411 D CA 0.994 55.003 54.000 0.016 0.000 0.891 411 D CB -0.718 40.096 40.800 0.025 0.000 0.897 411 D HN 0.789 nan 8.370 nan 0.000 0.529 412 G N -0.036 108.764 108.800 -0.000 0.000 2.199 412 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 412 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 412 G C 0.271 175.144 174.900 -0.045 0.000 0.982 412 G CA 0.214 45.303 45.100 -0.019 0.000 0.632 412 G HN 0.487 nan 8.290 nan 0.000 0.529 413 K N 0.161 120.531 120.400 -0.051 0.000 2.295 413 K HA 0.554 4.874 4.320 -0.000 0.000 0.270 413 K C 0.322 176.785 176.600 -0.229 0.000 1.011 413 K CA -0.094 56.104 56.287 -0.149 0.000 0.953 413 K CB 0.938 33.338 32.500 -0.167 0.000 0.956 413 K HN 0.277 nan 8.250 nan 0.000 0.477 414 I N 2.731 123.106 120.570 -0.325 0.000 2.377 414 I HA 0.175 4.345 4.170 -0.000 0.000 0.293 414 I C -0.559 175.276 176.117 -0.471 0.000 0.987 414 I CA -0.727 60.410 61.300 -0.272 0.000 1.185 414 I CB 1.145 39.047 38.000 -0.164 0.000 1.341 414 I HN 0.540 nan 8.210 nan 0.000 0.455 415 H N 6.112 125.142 119.070 -0.067 0.000 2.505 415 H HA 0.576 5.132 4.556 -0.000 0.000 0.338 415 H C -0.779 174.530 175.328 -0.033 0.000 1.057 415 H CA -0.433 55.560 56.048 -0.092 0.000 1.202 415 H CB 1.673 31.308 29.762 -0.211 0.000 1.466 415 H HN 0.377 nan 8.280 nan 0.000 0.499 416 I N 2.799 123.391 120.570 0.037 0.000 2.389 416 I HA 0.285 4.455 4.170 -0.000 0.000 0.288 416 I C -0.354 175.776 176.117 0.022 0.000 0.999 416 I CA -0.626 60.682 61.300 0.013 0.000 1.129 416 I CB 1.436 39.408 38.000 -0.046 0.000 1.288 416 I HN 0.573 nan 8.210 nan 0.000 0.444 417 S N 7.078 122.800 115.700 0.036 0.000 2.472 417 S HA 0.878 5.348 4.470 -0.000 0.000 0.303 417 S C -0.866 173.834 174.600 0.167 0.000 1.099 417 S CA -0.786 57.455 58.200 0.069 0.000 1.077 417 S CB 1.883 65.017 63.200 -0.109 0.000 1.031 417 S HN 0.390 nan 8.310 nan 0.000 0.487 418 L N 1.519 122.859 121.223 0.195 0.000 2.436 418 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 418 L C -0.934 176.044 176.870 0.181 0.000 0.974 418 L CA -0.405 54.546 54.840 0.186 0.000 0.826 418 L CB 1.904 44.003 42.059 0.065 0.000 1.291 418 L HN 0.824 nan 8.230 nan 0.000 0.406 419 C N 1.305 120.715 119.300 0.183 0.000 2.351 419 C HA 0.558 5.018 4.460 -0.000 0.000 0.326 419 C C 0.149 175.213 174.990 0.125 0.000 1.272 419 C CA -0.786 58.305 59.018 0.122 0.000 1.650 419 C CB 1.022 28.800 27.740 0.063 0.000 2.257 419 C HN 0.757 nan 8.230 nan 0.000 0.505 420 N N 2.056 120.833 118.700 0.129 0.000 2.485 420 N HA 0.340 5.080 4.740 -0.000 0.000 0.243 420 N C 0.161 175.810 175.510 0.232 0.000 0.987 420 N CA -0.525 52.619 53.050 0.156 0.000 0.940 420 N CB 0.738 39.303 38.487 0.130 0.000 1.122 420 N HN 0.505 nan 8.380 nan 0.000 0.509 421 L N 1.370 122.752 121.223 0.266 0.000 2.554 421 L HA 0.175 4.515 4.340 -0.000 0.000 0.226 421 L C 0.524 177.751 176.870 0.594 0.000 1.137 421 L CA 0.545 55.621 54.840 0.392 0.000 0.863 421 L CB -0.520 41.738 42.059 0.331 0.000 0.985 421 L HN 0.523 nan 8.230 nan 0.000 0.451 422 D N -0.793 119.850 120.400 0.406 0.000 2.277 422 D HA 0.044 4.684 4.640 -0.000 0.000 0.249 422 D C 0.988 177.339 176.300 0.085 0.000 1.134 422 D CA -0.390 53.791 54.000 0.302 0.000 0.863 422 D CB 0.882 41.790 40.800 0.180 0.000 1.143 422 D HN 0.139 nan 8.370 nan 0.000 0.458 423 F N 1.844 121.686 119.950 -0.180 0.000 2.743 423 F HA 0.310 4.837 4.527 0.000 0.000 0.297 423 F C 1.475 177.149 175.800 -0.209 0.000 1.131 423 F CA 0.094 57.849 58.000 -0.408 0.000 1.426 423 F CB -0.141 38.199 39.000 -1.099 0.000 1.116 423 F HN 0.326 nan 8.300 nan 0.000 0.583 424 E N 0.647 120.525 120.200 -0.537 0.000 2.216 424 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 424 E C 0.307 176.842 176.600 -0.109 0.000 0.973 424 E CA 1.003 57.220 56.400 -0.305 0.000 0.851 424 E CB 0.305 29.757 29.700 -0.412 0.000 0.804 424 E HN 0.470 nan 8.360 nan 0.000 0.477 425 T N -2.180 112.328 114.554 -0.076 0.000 2.896 425 T HA 0.579 4.929 4.350 -0.000 0.000 0.297 425 T C 0.359 175.077 174.700 0.029 0.000 1.108 425 T CA -0.732 61.362 62.100 -0.010 0.000 1.004 425 T CB 1.823 70.688 68.868 -0.006 0.000 1.159 425 T HN 0.030 nan 8.240 nan 0.000 0.499 426 G N 0.022 108.852 108.800 0.050 0.000 2.684 426 G HA2 0.532 4.492 3.960 -0.000 0.000 0.255 426 G HA3 0.532 4.492 3.960 -0.000 0.000 0.255 426 G C -0.249 174.698 174.900 0.078 0.000 1.219 426 G CA -0.422 44.724 45.100 0.077 0.000 0.901 426 G HN 1.270 nan 8.290 nan 0.000 0.548 427 A N 0.010 122.887 122.820 0.095 0.000 2.343 427 A HA 0.671 4.991 4.320 -0.000 0.000 0.308 427 A C 0.075 177.720 177.584 0.101 0.000 1.092 427 A CA -0.488 51.603 52.037 0.090 0.000 0.751 427 A CB 1.382 20.438 19.000 0.093 0.000 1.203 427 A HN 0.696 nan 8.150 nan 0.000 0.452 428 S N 0.929 116.683 115.700 0.088 0.000 2.499 428 S HA 0.503 4.973 4.470 -0.000 0.000 0.275 428 S C -0.200 174.454 174.600 0.090 0.000 1.257 428 S CA -0.349 57.907 58.200 0.094 0.000 1.050 428 S CB 0.904 64.149 63.200 0.074 0.000 0.937 428 S HN 0.626 nan 8.310 nan 0.000 0.490 429 V N 3.213 123.189 119.914 0.104 0.000 2.525 429 V HA 0.331 4.451 4.120 -0.000 0.000 0.299 429 V C -0.709 175.444 176.094 0.099 0.000 1.034 429 V CA -0.883 61.472 62.300 0.093 0.000 0.863 429 V CB 1.966 33.842 31.823 0.088 0.000 0.999 429 V HN 0.847 nan 8.190 nan 0.000 0.423 430 D N 4.897 125.351 120.400 0.091 0.000 2.329 430 D HA 0.516 5.156 4.640 -0.000 0.000 0.232 430 D C -0.620 175.747 176.300 0.112 0.000 1.088 430 D CA -0.111 53.952 54.000 0.106 0.000 0.835 430 D CB 1.012 41.868 40.800 0.093 0.000 1.078 430 D HN 0.458 nan 8.370 nan 0.000 0.495 431 I N 3.204 123.841 120.570 0.112 0.000 2.355 431 I HA 0.248 4.417 4.170 -0.000 0.000 0.288 431 I C 0.216 176.369 176.117 0.061 0.000 0.999 431 I CA -0.844 60.495 61.300 0.065 0.000 1.163 431 I CB 1.638 39.650 38.000 0.019 0.000 1.316 431 I HN 0.387 nan 8.210 nan 0.000 0.454 432 E N 7.508 127.718 120.200 0.016 0.000 2.146 432 E HA 0.440 4.790 4.350 -0.000 0.000 0.282 432 E C -1.313 175.189 176.600 -0.164 0.000 0.989 432 E CA -0.633 55.691 56.400 -0.126 0.000 0.799 432 E CB 1.038 30.705 29.700 -0.055 0.000 1.088 432 E HN 0.532 nan 8.360 nan 0.000 0.397 433 L N 5.513 126.612 121.223 -0.207 0.000 2.265 433 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 433 L C 0.378 177.148 176.870 -0.168 0.000 1.033 433 L CA -0.482 54.258 54.840 -0.166 0.000 0.814 433 L CB 1.044 43.024 42.059 -0.130 0.000 1.203 433 L HN 0.453 nan 8.230 nan 0.000 0.423 434 R N 1.426 121.827 120.500 -0.164 0.000 2.873 434 R HA 0.555 4.895 4.340 -0.000 0.000 0.264 434 R C 0.540 176.768 176.300 -0.121 0.000 1.026 434 R CA -0.570 55.447 56.100 -0.138 0.000 1.002 434 R CB 1.776 31.986 30.300 -0.151 0.000 1.174 434 R HN 0.776 nan 8.270 nan 0.000 0.488 435 G N 1.150 109.897 108.800 -0.089 0.000 2.305 435 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.287 435 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.287 435 G C 0.320 175.178 174.900 -0.070 0.000 1.036 435 G CA 0.282 45.338 45.100 -0.072 0.000 0.887 435 G HN 0.386 nan 8.290 nan 0.000 0.505 436 L N -0.793 120.390 121.223 -0.068 0.000 2.162 436 L HA 0.243 4.583 4.340 -0.000 0.000 0.205 436 L C 1.704 178.546 176.870 -0.048 0.000 1.086 436 L CA 2.473 57.275 54.840 -0.064 0.000 0.778 436 L CB -0.752 41.267 42.059 -0.067 0.000 0.928 436 L HN 0.709 nan 8.230 nan 0.000 0.446 437 N N -2.721 115.955 118.700 -0.040 0.000 3.811 437 N HA -0.197 4.543 4.740 -0.000 0.000 0.237 437 N C 0.847 176.341 175.510 -0.025 0.000 0.239 437 N CA 0.715 53.747 53.050 -0.029 0.000 3.297 437 N CB -1.576 36.895 38.487 -0.027 0.000 1.356 437 N HN 0.446 nan 8.380 nan 0.000 0.265 438 G N -0.263 108.522 108.800 -0.025 0.000 2.514 438 G HA2 0.560 4.520 3.960 -0.000 0.000 0.245 438 G HA3 0.560 4.520 3.960 -0.000 0.000 0.245 438 G C 0.140 175.027 174.900 -0.022 0.000 1.488 438 G CA 0.413 45.501 45.100 -0.020 0.000 1.063 438 G HN 0.592 nan 8.290 nan 0.000 0.557 439 G N -2.149 106.640 108.800 -0.017 0.000 2.568 439 G HA2 0.695 4.655 3.960 -0.000 0.000 0.313 439 G HA3 0.695 4.655 3.960 -0.000 0.000 0.313 439 G C -0.910 173.980 174.900 -0.016 0.000 1.227 439 G CA 0.144 45.235 45.100 -0.015 0.000 0.979 439 G HN 1.447 nan 8.290 nan 0.000 0.486 440 V N -2.055 117.851 119.914 -0.013 0.000 3.078 440 V HA 0.935 5.055 4.120 -0.000 0.000 0.311 440 V C -0.162 175.937 176.094 0.007 0.000 1.138 440 V CA -0.604 61.688 62.300 -0.014 0.000 1.007 440 V CB 1.444 33.247 31.823 -0.033 0.000 1.045 440 V HN 1.266 nan 8.190 nan 0.000 0.432 441 S N 1.066 116.773 115.700 0.011 0.000 2.600 441 S HA 0.997 5.467 4.470 -0.000 0.000 0.300 441 S C -0.283 174.345 174.600 0.047 0.000 1.087 441 S CA -0.263 57.963 58.200 0.042 0.000 0.965 441 S CB 1.784 65.008 63.200 0.039 0.000 1.089 441 S HN 2.281 nan 8.310 nan 0.000 0.496 442 A N 1.327 124.216 122.820 0.115 0.000 2.414 442 A HA 0.890 5.210 4.320 -0.000 0.000 0.306 442 A C -0.076 177.653 177.584 0.242 0.000 1.054 442 A CA -0.750 51.352 52.037 0.107 0.000 0.724 442 A CB 1.412 20.416 19.000 0.006 0.000 1.267 442 A HN 1.283 nan 8.150 nan 0.000 0.418 443 T N -1.002 113.648 114.554 0.160 0.000 2.930 443 T HA 0.903 5.253 4.350 -0.000 0.000 0.290 443 T C 0.054 174.876 174.700 0.203 0.000 1.052 443 T CA -0.282 61.960 62.100 0.236 0.000 1.017 443 T CB 1.949 70.908 68.868 0.150 0.000 1.137 443 T HN 1.789 nan 8.240 nan 0.000 0.511 444 G N -0.672 108.316 108.800 0.313 0.000 2.690 444 G HA2 0.630 4.590 3.960 -0.000 0.000 0.293 444 G HA3 0.630 4.590 3.960 -0.000 0.000 0.293 444 G C -1.320 173.776 174.900 0.326 0.000 1.399 444 G CA -0.670 44.626 45.100 0.326 0.000 0.890 444 G HN 0.933 nan 8.290 nan 0.000 0.485 445 T N -1.387 113.318 114.554 0.252 0.000 2.933 445 T HA 0.715 5.065 4.350 -0.000 0.000 0.305 445 T C -1.085 173.696 174.700 0.136 0.000 1.092 445 T CA -0.348 61.873 62.100 0.202 0.000 1.008 445 T CB 2.129 71.081 68.868 0.141 0.000 1.102 445 T HN 0.832 nan 8.240 nan 0.000 0.469 446 T N 3.618 118.248 114.554 0.127 0.000 2.912 446 T HA 0.670 5.020 4.350 -0.000 0.000 0.299 446 T C -1.743 172.987 174.700 0.050 0.000 1.052 446 T CA -0.618 61.503 62.100 0.035 0.000 0.996 446 T CB 1.329 70.172 68.868 -0.042 0.000 1.070 446 T HN 0.616 nan 8.240 nan 0.000 0.465 447 L N 4.528 125.773 121.223 0.036 0.000 2.294 447 L HA 0.815 5.155 4.340 -0.000 0.000 0.283 447 L C -0.154 176.749 176.870 0.055 0.000 1.015 447 L CA 0.318 55.181 54.840 0.037 0.000 0.831 447 L CB 1.409 43.497 42.059 0.048 0.000 1.217 447 L HN 0.795 nan 8.230 nan 0.000 0.420 448 T N 2.318 116.907 114.554 0.058 0.000 2.681 448 T HA 0.784 5.134 4.350 -0.000 0.000 0.296 448 T C -1.495 173.245 174.700 0.068 0.000 1.157 448 T CA -0.141 62.005 62.100 0.077 0.000 1.025 448 T CB 1.613 70.528 68.868 0.078 0.000 1.441 448 T HN 0.676 nan 8.240 nan 0.000 0.504 449 S N -1.556 114.185 115.700 0.069 0.000 2.596 449 S HA 0.637 5.107 4.470 -0.000 0.000 0.270 449 S C 0.598 175.215 174.600 0.028 0.000 1.155 449 S CA 0.139 58.366 58.200 0.046 0.000 0.827 449 S CB 1.147 64.384 63.200 0.062 0.000 1.130 449 S HN 1.102 nan 8.310 nan 0.000 0.467 450 G N 1.479 110.282 108.800 0.005 0.000 3.088 450 G HA2 0.275 4.235 3.960 -0.000 0.000 0.217 450 G HA3 0.275 4.235 3.960 -0.000 0.000 0.217 450 G C 0.092 174.969 174.900 -0.037 0.000 1.159 450 G CA -0.109 44.986 45.100 -0.008 0.000 0.760 450 G HN 0.439 nan 8.290 nan 0.000 0.550 451 R N 0.115 120.584 120.500 -0.051 0.000 2.628 451 R HA 0.294 4.634 4.340 -0.000 0.000 0.288 451 R C 1.220 177.443 176.300 -0.129 0.000 0.980 451 R CA -0.841 55.197 56.100 -0.104 0.000 0.891 451 R CB 1.514 31.759 30.300 -0.092 0.000 1.188 451 R HN 0.204 nan 8.270 nan 0.000 0.450 452 I N -1.283 119.120 120.570 -0.279 0.000 2.567 452 I HA -0.117 4.053 4.170 -0.000 0.000 0.257 452 I C 0.695 176.810 176.117 -0.003 0.000 1.184 452 I CA 1.457 62.568 61.300 -0.316 0.000 1.451 452 I CB -0.085 37.466 38.000 -0.750 0.000 1.089 452 I HN 0.369 nan 8.210 nan 0.000 0.441 453 D N 1.279 121.565 120.400 -0.191 0.000 2.463 453 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 453 D C 0.945 177.332 176.300 0.144 0.000 1.174 453 D CA -0.362 53.590 54.000 -0.079 0.000 0.829 453 D CB -0.389 40.108 40.800 -0.505 0.000 0.993 453 D HN 0.275 nan 8.370 nan 0.000 0.497 454 G N 1.326 110.195 108.800 0.115 0.000 2.225 454 G HA2 0.289 4.249 3.960 -0.000 0.000 0.245 454 G HA3 0.289 4.249 3.960 -0.000 0.000 0.245 454 G C 0.124 175.136 174.900 0.186 0.000 1.249 454 G CA 0.205 45.368 45.100 0.107 0.000 0.919 454 G HN 0.606 nan 8.290 nan 0.000 0.486 455 H N 0.296 119.364 119.070 -0.003 0.000 2.990 455 H HA 0.402 4.958 4.556 -0.000 0.000 0.336 455 H C -1.080 174.228 175.328 -0.033 0.000 1.306 455 H CA -1.154 54.889 56.048 -0.009 0.000 1.118 455 H CB 1.025 30.772 29.762 -0.026 0.000 1.856 455 H HN 0.351 nan 8.280 nan 0.000 0.538 456 N N 0.514 119.203 118.700 -0.017 0.000 2.456 456 N HA 0.366 5.106 4.740 -0.000 0.000 0.296 456 N C -0.028 175.393 175.510 -0.147 0.000 1.102 456 N CA -0.018 52.965 53.050 -0.112 0.000 0.924 456 N CB 2.217 40.664 38.487 -0.065 0.000 1.186 456 N HN 0.817 nan 8.380 nan 0.000 0.492 457 T N -2.715 111.718 114.554 -0.201 0.000 2.831 457 T HA 0.479 4.829 4.350 -0.000 0.000 0.287 457 T C 0.843 175.361 174.700 -0.303 0.000 1.070 457 T CA -0.581 61.357 62.100 -0.269 0.000 1.010 457 T CB 0.357 69.170 68.868 -0.092 0.000 1.264 457 T HN 0.146 nan 8.240 nan 0.000 0.532 458 F N 0.762 120.730 119.950 0.029 0.000 2.186 458 F HA 0.066 4.593 4.527 -0.000 0.000 0.299 458 F C 2.206 178.006 175.800 -0.001 0.000 1.090 458 F CA 0.926 58.932 58.000 0.010 0.000 1.307 458 F CB -0.573 38.434 39.000 0.011 0.000 1.019 458 F HN 0.505 nan 8.300 nan 0.000 0.489 459 D N -0.161 120.325 120.400 0.143 0.000 2.183 459 D HA -0.072 4.568 4.640 -0.000 0.000 0.203 459 D C 0.363 176.676 176.300 0.022 0.000 0.969 459 D CA 0.978 55.021 54.000 0.072 0.000 0.842 459 D CB -0.196 40.637 40.800 0.055 0.000 0.957 459 D HN 0.400 nan 8.370 nan 0.000 0.484 460 E N 0.647 120.839 120.200 -0.014 0.000 3.303 460 E HA 0.125 4.475 4.350 -0.000 0.000 0.215 460 E C -1.960 174.603 176.600 -0.062 0.000 1.181 460 E CA -1.211 55.164 56.400 -0.042 0.000 0.998 460 E CB 1.771 31.430 29.700 -0.068 0.000 1.312 460 E HN 0.079 nan 8.360 nan 0.000 0.412 461 P HA -0.064 nan 4.420 nan 0.000 0.237 461 P C 0.197 177.486 177.300 -0.019 0.000 1.178 461 P CA 0.767 63.838 63.100 -0.048 0.000 0.766 461 P CB 0.393 32.084 31.700 -0.015 0.000 0.876 462 E N -0.964 119.228 120.200 -0.015 0.000 2.887 462 E HA 0.182 4.532 4.350 -0.000 0.000 0.206 462 E C 1.518 178.108 176.600 -0.016 0.000 0.983 462 E CA -0.261 56.141 56.400 0.003 0.000 1.141 462 E CB 0.212 29.916 29.700 0.006 0.000 1.061 462 E HN -0.012 nan 8.360 nan 0.000 0.468 463 R N 0.173 120.650 120.500 -0.038 0.000 2.096 463 R HA -0.013 4.327 4.340 -0.000 0.000 0.235 463 R C 0.351 176.632 176.300 -0.032 0.000 1.127 463 R CA 0.934 57.001 56.100 -0.055 0.000 0.968 463 R CB 0.424 30.656 30.300 -0.114 0.000 0.861 463 R HN -0.078 nan 8.270 nan 0.000 0.440 464 V N 1.841 121.752 119.914 -0.005 0.000 2.443 464 V HA 0.299 4.419 4.120 -0.000 0.000 0.293 464 V C -0.970 175.118 176.094 -0.010 0.000 1.021 464 V CA -0.691 61.619 62.300 0.017 0.000 0.848 464 V CB 1.451 33.312 31.823 0.064 0.000 0.998 464 V HN 0.285 nan 8.190 nan 0.000 0.424 465 K N 4.401 124.728 120.400 -0.121 0.000 2.579 465 K HA 0.749 5.069 4.320 -0.000 0.000 0.284 465 K C -3.363 173.075 176.600 -0.270 0.000 0.990 465 K CA -1.913 54.131 56.287 -0.406 0.000 0.880 465 K CB 1.900 34.226 32.500 -0.289 0.000 1.488 465 K HN 0.257 nan 8.250 nan 0.000 0.425 466 P HA 0.242 nan 4.420 nan 0.000 0.269 466 P C -1.245 176.038 177.300 -0.028 0.000 1.215 466 P CA -0.339 62.703 63.100 -0.096 0.000 0.780 466 P CB 0.942 32.617 31.700 -0.042 0.000 0.898 467 A N 2.355 125.197 122.820 0.037 0.000 2.587 467 A HA 0.717 5.037 4.320 -0.000 0.000 0.293 467 A C -2.888 174.768 177.584 0.119 0.000 1.087 467 A CA -1.797 50.279 52.037 0.065 0.000 0.692 467 A CB 0.586 19.624 19.000 0.063 0.000 1.291 467 A HN 0.282 nan 8.150 nan 0.000 0.407 468 P HA 0.326 nan 4.420 nan 0.000 0.267 468 P C -1.108 176.336 177.300 0.240 0.000 1.200 468 P CA 0.389 63.582 63.100 0.154 0.000 0.772 468 P CB 0.153 31.910 31.700 0.096 0.000 0.855 469 F N 3.318 123.345 119.950 0.128 0.000 2.477 469 F HA 0.422 4.949 4.527 -0.000 0.000 0.335 469 F C 0.807 176.751 175.800 0.240 0.000 1.130 469 F CA -0.469 57.633 58.000 0.171 0.000 0.948 469 F CB 1.398 40.512 39.000 0.189 0.000 1.154 469 F HN 0.187 nan 8.300 nan 0.000 0.439 470 R N 2.123 122.321 120.500 -0.503 0.000 2.531 470 R HA 0.070 4.410 4.340 -0.000 0.000 0.316 470 R C -0.178 175.649 176.300 -0.789 0.000 0.955 470 R CA -0.079 55.698 56.100 -0.539 0.000 1.120 470 R CB 0.327 30.442 30.300 -0.308 0.000 1.361 470 R HN 0.461 nan 8.270 nan 0.000 0.534 471 D N 1.562 121.369 120.400 -0.988 0.000 2.934 471 D HA 0.030 4.670 4.640 -0.000 0.000 0.237 471 D C -0.871 175.268 176.300 -0.268 0.000 1.158 471 D CA 0.184 53.852 54.000 -0.552 0.000 0.971 471 D CB -0.365 40.257 40.800 -0.296 0.000 1.123 471 D HN 0.046 nan 8.370 nan 0.000 0.467 472 F N -1.282 118.503 119.950 -0.275 0.000 2.686 472 F HA 0.651 5.178 4.527 -0.000 0.000 0.311 472 F C -1.231 174.544 175.800 -0.042 0.000 1.128 472 F CA -1.459 56.502 58.000 -0.064 0.000 0.946 472 F CB 1.118 40.148 39.000 0.050 0.000 1.336 472 F HN -0.367 nan 8.300 nan 0.000 0.457 473 K N 1.810 122.349 120.400 0.233 0.000 2.397 473 K HA 0.685 5.005 4.320 -0.000 0.000 0.253 473 K C -2.256 174.500 176.600 0.261 0.000 0.932 473 K CA -0.721 55.639 56.287 0.122 0.000 0.795 473 K CB 1.835 34.365 32.500 0.049 0.000 1.159 473 K HN 0.845 nan 8.250 nan 0.000 0.424 474 L N 3.410 124.772 121.223 0.231 0.000 2.294 474 L HA 0.542 4.882 4.340 -0.000 0.000 0.283 474 L C -1.218 175.724 176.870 0.121 0.000 1.015 474 L CA 0.184 55.147 54.840 0.204 0.000 0.831 474 L CB 1.016 43.217 42.059 0.237 0.000 1.217 474 L HN 0.789 nan 8.230 nan 0.000 0.420 475 E N 4.324 124.595 120.200 0.118 0.000 2.373 475 E HA 0.486 4.836 4.350 -0.000 0.000 0.251 475 E C -0.082 176.583 176.600 0.109 0.000 0.923 475 E CA -0.439 56.017 56.400 0.093 0.000 0.798 475 E CB 0.992 30.739 29.700 0.079 0.000 1.303 475 E HN 0.934 nan 8.360 nan 0.000 0.412 476 G N 3.055 111.898 108.800 0.071 0.000 2.220 476 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.248 476 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.248 476 G C 0.920 175.846 174.900 0.044 0.000 0.791 476 G CA 0.628 45.762 45.100 0.057 0.000 1.197 476 G HN 1.337 nan 8.290 nan 0.000 0.336 477 G N 1.053 109.832 108.800 -0.034 0.000 2.189 477 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.267 477 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.267 477 G C 0.294 174.982 174.900 -0.352 0.000 0.975 477 G CA 1.065 46.059 45.100 -0.177 0.000 0.644 477 G HN 1.547 nan 8.290 nan 0.000 0.537 478 H N -1.097 117.985 119.070 0.020 0.000 2.609 478 H HA 0.561 5.117 4.556 -0.000 0.000 0.344 478 H C -0.711 174.645 175.328 0.047 0.000 1.040 478 H CA -0.597 55.469 56.048 0.029 0.000 1.216 478 H CB 1.904 31.686 29.762 0.034 0.000 1.529 478 H HN 0.208 nan 8.280 nan 0.000 0.519 479 L N 4.085 125.401 121.223 0.155 0.000 2.342 479 L HA 0.347 4.687 4.340 -0.000 0.000 0.276 479 L C -0.895 176.067 176.870 0.154 0.000 0.997 479 L CA -0.579 54.343 54.840 0.137 0.000 0.838 479 L CB 0.613 42.697 42.059 0.043 0.000 1.224 479 L HN 0.554 nan 8.230 nan 0.000 0.416 480 N N 3.860 122.673 118.700 0.188 0.000 2.408 480 N HA 0.715 5.455 4.740 -0.000 0.000 0.280 480 N C -0.903 174.747 175.510 0.234 0.000 1.002 480 N CA -0.301 52.851 53.050 0.170 0.000 0.907 480 N CB 1.990 40.552 38.487 0.125 0.000 1.161 480 N HN 0.605 nan 8.380 nan 0.000 0.488 481 A N 1.249 124.207 122.820 0.230 0.000 2.401 481 A HA 0.698 5.018 4.320 -0.000 0.000 0.310 481 A C -0.718 177.039 177.584 0.289 0.000 1.075 481 A CA -0.696 51.545 52.037 0.339 0.000 0.746 481 A CB 1.220 20.438 19.000 0.363 0.000 1.277 481 A HN 0.483 nan 8.150 nan 0.000 0.425 482 S N 1.925 117.842 115.700 0.361 0.000 2.528 482 S HA 0.410 4.880 4.470 -0.000 0.000 0.303 482 S C -0.265 174.574 174.600 0.397 0.000 1.123 482 S CA -0.344 58.026 58.200 0.284 0.000 1.138 482 S CB -0.194 63.121 63.200 0.191 0.000 0.984 482 S HN 0.537 nan 8.310 nan 0.000 0.474 483 L N 4.151 125.527 121.223 0.255 0.000 2.416 483 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 483 L C -2.179 174.780 176.870 0.150 0.000 1.161 483 L CA -1.934 52.987 54.840 0.134 0.000 0.845 483 L CB -0.005 42.079 42.059 0.041 0.000 1.119 483 L HN 0.242 nan 8.230 nan 0.000 0.464 484 P HA 0.178 nan 4.420 nan 0.000 0.272 484 P C -2.494 174.865 177.300 0.099 0.000 1.230 484 P CA -1.308 61.870 63.100 0.131 0.000 0.788 484 P CB -0.085 31.696 31.700 0.135 0.000 0.949 485 P HA 0.010 nan 4.420 nan 0.000 0.268 485 P C 0.122 177.490 177.300 0.114 0.000 1.208 485 P CA 0.357 63.507 63.100 0.084 0.000 0.777 485 P CB -0.297 31.434 31.700 0.052 0.000 0.875 486 M N -0.635 119.066 119.600 0.169 0.000 3.116 486 M HA -0.201 4.279 4.480 -0.000 0.000 0.169 486 M C -0.972 175.452 176.300 0.206 0.000 1.303 486 M CA 0.777 56.239 55.300 0.270 0.000 0.799 486 M CB -2.438 30.314 32.600 0.253 0.000 1.243 486 M HN 0.304 nan 8.290 nan 0.000 0.690 487 S N 0.281 116.079 115.700 0.164 0.000 2.564 487 S HA 0.926 5.396 4.470 -0.000 0.000 0.274 487 S C -0.528 174.120 174.600 0.080 0.000 1.124 487 S CA -0.840 57.420 58.200 0.100 0.000 0.869 487 S CB 2.862 66.092 63.200 0.051 0.000 1.105 487 S HN 0.570 nan 8.310 nan 0.000 0.472 488 V N 1.928 121.877 119.914 0.059 0.000 2.487 488 V HA 0.701 4.821 4.120 -0.000 0.000 0.298 488 V C -0.375 175.761 176.094 0.070 0.000 1.028 488 V CA -0.279 62.068 62.300 0.078 0.000 0.860 488 V CB 1.569 33.413 31.823 0.036 0.000 0.991 488 V HN 1.077 nan 8.190 nan 0.000 0.427 489 T N 3.871 118.466 114.554 0.068 0.000 2.876 489 T HA 0.690 5.039 4.350 -0.000 0.000 0.289 489 T C -0.768 173.971 174.700 0.064 0.000 1.014 489 T CA -0.495 61.579 62.100 -0.044 0.000 0.986 489 T CB 2.051 70.718 68.868 -0.335 0.000 1.021 489 T HN 0.340 nan 8.240 nan 0.000 0.458 490 V N 3.840 123.793 119.914 0.064 0.000 2.531 490 V HA 0.510 4.630 4.120 -0.000 0.000 0.301 490 V C -0.647 175.476 176.094 0.048 0.000 1.034 490 V CA -0.838 61.504 62.300 0.071 0.000 0.865 490 V CB 1.554 33.438 31.823 0.101 0.000 0.995 490 V HN 0.697 nan 8.190 nan 0.000 0.424 491 L N 3.935 125.161 121.223 0.005 0.000 2.307 491 L HA 0.633 4.973 4.340 -0.000 0.000 0.284 491 L C -0.001 176.846 176.870 -0.038 0.000 1.023 491 L CA -0.341 54.471 54.840 -0.047 0.000 0.810 491 L CB 1.849 43.810 42.059 -0.163 0.000 1.231 491 L HN 0.672 nan 8.230 nan 0.000 0.423 492 E N 4.203 124.379 120.200 -0.039 0.000 2.129 492 E HA 0.469 4.819 4.350 -0.000 0.000 0.268 492 E C -1.407 175.103 176.600 -0.149 0.000 0.900 492 E CA -0.613 55.708 56.400 -0.132 0.000 0.755 492 E CB 1.175 30.863 29.700 -0.019 0.000 1.117 492 E HN 0.497 nan 8.360 nan 0.000 0.410 493 L N 3.963 125.057 121.223 -0.215 0.000 2.282 493 L HA 0.452 4.792 4.340 -0.000 0.000 0.288 493 L C -0.103 176.684 176.870 -0.138 0.000 1.033 493 L CA -0.664 54.091 54.840 -0.141 0.000 0.807 493 L CB 1.631 43.611 42.059 -0.131 0.000 1.209 493 L HN 0.512 nan 8.230 nan 0.000 0.423 494 T N 1.434 115.941 114.554 -0.077 0.000 2.885 494 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 494 T C 0.146 174.821 174.700 -0.041 0.000 1.019 494 T CA -0.542 61.522 62.100 -0.060 0.000 1.010 494 T CB 1.972 70.820 68.868 -0.032 0.000 1.022 494 T HN 0.672 nan 8.240 nan 0.000 0.466 495 A N 1.683 124.481 122.820 -0.037 0.000 2.477 495 A HA 0.662 4.982 4.320 -0.000 0.000 0.246 495 A C 1.066 178.641 177.584 -0.016 0.000 1.078 495 A CA 0.586 52.606 52.037 -0.027 0.000 0.770 495 A CB -0.932 18.052 19.000 -0.026 0.000 1.011 495 A HN 1.692 nan 8.150 nan 0.000 0.494 496 G N 0.000 108.793 108.800 -0.011 0.000 5.446 496 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 496 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 496 G CA 0.000 45.097 45.100 -0.004 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925