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 1nhh_1_A DATA FIRST_RESID -2 DATA SEQUENCE SHXMPIQVLP PQLANQIAAG EVVERPASVV KELVENSLDA GATRIDIDIE DATA SEQUENCE RGGAKLIRIR DNGCGIKKDE LALALARHAT SKIASLDDLE AIISLGFRGE DATA SEQUENCE ALASISSVSR LTLTSRTAEQ QEAWQAYAEG RDMNVTVKPA AHPVGTTLEV DATA SEQUENCE LDLFYNTPAR RKFLRTEKTE FNHIDEIIRR IALARFDVTI NLSHNGKIVR DATA SEQUENCE QYRAVPXXXQ KERRLGAICG TAFLEQALAI EWQHGDLTLR GWVADPNHTT DATA SEQUENCE PALAEIQYCY VNGRMMRDRL INHAIRQACE DKLGXXQQPA FVLYLEIDPH DATA SEQUENCE QVDVNVHPAK HEVRFHQSRL VHDFIYQGVL SVLQ 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.624 174.600 0.040 0.000 1.055 -2 S CA 0.000 58.220 58.200 0.034 0.000 1.107 -2 S CB 0.000 63.215 63.200 0.025 0.000 0.593 2 P HA 0.337 nan 4.420 nan 0.000 0.275 2 P C -0.855 176.428 177.300 -0.027 0.000 1.228 2 P CA -0.204 62.865 63.100 -0.052 0.000 0.786 2 P CB 0.654 32.320 31.700 -0.056 0.000 0.927 3 I N 1.833 122.392 120.570 -0.019 0.000 2.598 3 I HA 0.068 4.238 4.170 0.001 0.000 0.284 3 I C 0.931 177.041 176.117 -0.011 0.000 1.140 3 I CA 0.700 61.993 61.300 -0.011 0.000 1.420 3 I CB -0.172 37.823 38.000 -0.008 0.000 1.387 3 I HN 0.404 nan 8.210 nan 0.000 0.553 4 Q N 4.402 124.197 119.800 -0.007 0.000 2.379 4 Q HA 0.426 4.767 4.340 0.001 0.000 0.278 4 Q C -1.360 174.639 176.000 -0.001 0.000 1.068 4 Q CA -0.773 55.027 55.803 -0.006 0.000 0.816 4 Q CB 2.824 31.557 28.738 -0.008 0.000 1.387 4 Q HN 0.421 nan 8.270 nan 0.000 0.413 5 V N 4.064 123.978 119.914 0.000 0.000 2.529 5 V HA 0.067 4.188 4.120 0.001 0.000 0.292 5 V C 0.372 176.470 176.094 0.006 0.000 1.028 5 V CA 0.108 62.411 62.300 0.005 0.000 1.074 5 V CB 0.213 32.040 31.823 0.007 0.000 0.958 5 V HN 0.706 nan 8.190 nan 0.000 0.481 6 L N 7.324 128.552 121.223 0.008 0.000 2.483 6 L HA 0.201 4.542 4.340 0.001 0.000 0.276 6 L C -1.969 174.906 176.870 0.009 0.000 1.213 6 L CA -1.263 53.582 54.840 0.008 0.000 0.843 6 L CB 0.096 42.160 42.059 0.009 0.000 1.107 6 L HN 0.462 nan 8.230 nan 0.000 0.487 7 P HA 0.085 nan 4.420 nan 0.000 0.271 7 P C -2.012 175.292 177.300 0.008 0.000 1.216 7 P CA -0.997 62.108 63.100 0.007 0.000 0.771 7 P CB 0.404 32.108 31.700 0.006 0.000 0.864 8 P HA -0.295 nan 4.420 nan 0.000 0.219 8 P C 1.532 178.833 177.300 0.002 0.000 1.161 8 P CA 1.656 64.760 63.100 0.006 0.000 0.909 8 P CB -0.030 31.673 31.700 0.006 0.000 0.793 9 Q N -1.150 118.654 119.800 0.006 0.000 2.084 9 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 9 Q C 2.032 178.033 176.000 0.000 0.000 0.978 9 Q CA 1.235 57.042 55.803 0.006 0.000 0.844 9 Q CB -0.698 28.047 28.738 0.010 0.000 0.898 9 Q HN 0.075 nan 8.270 nan 0.000 0.426 10 L N 0.473 121.696 121.223 -0.000 0.000 2.056 10 L HA -0.043 4.298 4.340 0.001 0.000 0.207 10 L C 2.175 179.044 176.870 -0.001 0.000 1.078 10 L CA 2.148 56.986 54.840 -0.003 0.000 0.749 10 L CB -0.893 41.165 42.059 -0.002 0.000 0.901 10 L HN 0.260 nan 8.230 nan 0.000 0.433 11 A N -0.529 122.292 122.820 0.002 0.000 1.902 11 A HA -0.207 4.114 4.320 0.001 0.000 0.217 11 A C 2.127 179.709 177.584 -0.004 0.000 1.181 11 A CA 1.802 53.842 52.037 0.004 0.000 0.623 11 A CB -0.746 18.263 19.000 0.014 0.000 0.818 11 A HN 0.621 nan 8.150 nan 0.000 0.443 12 N N -0.244 118.449 118.700 -0.011 0.000 2.188 12 N HA -0.153 4.587 4.740 0.001 0.000 0.184 12 N C 1.911 177.417 175.510 -0.008 0.000 1.018 12 N CA 1.484 54.522 53.050 -0.021 0.000 0.858 12 N CB -0.309 38.164 38.487 -0.023 0.000 0.989 12 N HN 0.667 nan 8.380 nan 0.000 0.426 13 Q N 0.542 120.342 119.800 0.000 0.000 2.119 13 Q HA 0.002 4.343 4.340 0.001 0.000 0.201 13 Q C 2.153 178.155 176.000 0.003 0.000 0.972 13 Q CA 0.786 56.595 55.803 0.011 0.000 0.847 13 Q CB 0.001 28.742 28.738 0.005 0.000 0.903 13 Q HN 0.409 nan 8.270 nan 0.000 0.433 14 I N 0.638 121.205 120.570 -0.006 0.000 2.226 14 I HA -0.269 3.902 4.170 0.001 0.000 0.245 14 I C 2.395 178.501 176.117 -0.019 0.000 1.100 14 I CA 0.960 62.252 61.300 -0.013 0.000 1.374 14 I CB -0.382 37.612 38.000 -0.010 0.000 1.057 14 I HN 0.161 nan 8.210 nan 0.000 0.413 15 A N 0.729 123.538 122.820 -0.019 0.000 1.930 15 A HA -0.096 4.224 4.320 0.001 0.000 0.217 15 A C 2.539 180.104 177.584 -0.033 0.000 1.175 15 A CA 1.601 53.619 52.037 -0.032 0.000 0.627 15 A CB -0.721 18.257 19.000 -0.036 0.000 0.815 15 A HN 0.419 nan 8.150 nan 0.000 0.443 16 A N -0.433 122.382 122.820 -0.008 0.000 1.972 16 A HA 0.113 4.434 4.320 0.001 0.000 0.219 16 A C 2.296 179.899 177.584 0.033 0.000 1.169 16 A CA 1.773 53.824 52.037 0.023 0.000 0.635 16 A CB -1.201 17.838 19.000 0.065 0.000 0.810 16 A HN 0.729 nan 8.150 nan 0.000 0.446 17 G N -0.638 108.164 108.800 0.003 0.000 2.471 17 G HA2 -0.107 3.854 3.960 0.001 0.000 0.219 17 G HA3 -0.107 3.854 3.960 0.001 0.000 0.219 17 G C 1.332 176.206 174.900 -0.043 0.000 1.125 17 G CA 0.926 46.011 45.100 -0.026 0.000 0.775 17 G HN 0.682 nan 8.290 nan 0.000 0.548 18 E N -0.928 119.239 120.200 -0.055 0.000 2.340 18 E HA 0.151 4.502 4.350 0.001 0.000 0.194 18 E C 2.070 178.597 176.600 -0.121 0.000 0.996 18 E CA 0.121 56.465 56.400 -0.093 0.000 0.869 18 E CB 0.542 30.169 29.700 -0.122 0.000 0.835 18 E HN 0.259 nan 8.360 nan 0.000 0.493 19 V N 0.172 120.033 119.914 -0.088 0.000 3.570 19 V HA 0.119 4.240 4.120 0.001 0.000 0.257 19 V C 0.021 176.106 176.094 -0.015 0.000 1.272 19 V CA 0.245 62.488 62.300 -0.095 0.000 1.079 19 V CB 1.279 33.033 31.823 -0.115 0.000 0.829 19 V HN -0.106 nan 8.190 nan 0.000 0.454 20 V N 1.886 121.819 119.914 0.031 0.000 2.266 20 V HA 0.317 4.438 4.120 0.001 0.000 0.271 20 V C 0.973 177.166 176.094 0.165 0.000 1.032 20 V CA 0.180 62.535 62.300 0.092 0.000 0.806 20 V CB 1.014 32.895 31.823 0.097 0.000 1.052 20 V HN 0.564 nan 8.190 nan 0.000 0.449 21 E N 5.482 125.761 120.200 0.132 0.000 2.033 21 E HA 0.006 4.356 4.350 0.001 0.000 0.189 21 E C 1.024 177.755 176.600 0.218 0.000 0.979 21 E CA 0.636 57.102 56.400 0.111 0.000 0.802 21 E CB 0.424 30.158 29.700 0.057 0.000 0.763 21 E HN 0.740 nan 8.360 nan 0.000 0.449 22 R N -1.673 118.939 120.500 0.187 0.000 2.906 22 R HA 0.340 4.680 4.340 0.001 0.000 0.258 22 R C -2.421 173.937 176.300 0.096 0.000 1.156 22 R CA -1.455 54.764 56.100 0.198 0.000 0.996 22 R CB 0.499 30.840 30.300 0.069 0.000 1.259 22 R HN -0.274 nan 8.270 nan 0.000 0.462 23 P HA -0.175 nan 4.420 nan 0.000 0.216 23 P C 1.218 178.522 177.300 0.007 0.000 1.150 23 P CA 2.596 65.694 63.100 -0.003 0.000 0.843 23 P CB -0.086 31.623 31.700 0.016 0.000 0.787 24 A N -0.748 122.085 122.820 0.022 0.000 1.940 24 A HA -0.216 4.105 4.320 0.001 0.000 0.219 24 A C 2.346 179.945 177.584 0.024 0.000 1.176 24 A CA 2.263 54.311 52.037 0.018 0.000 0.631 24 A CB -1.573 17.457 19.000 0.049 0.000 0.814 24 A HN 0.140 nan 8.150 nan 0.000 0.446 25 S N -0.562 115.164 115.700 0.043 0.000 2.382 25 S HA -0.127 4.344 4.470 0.001 0.000 0.228 25 S C 1.859 176.475 174.600 0.027 0.000 1.027 25 S CA 1.426 59.659 58.200 0.055 0.000 0.991 25 S CB -0.411 62.837 63.200 0.080 0.000 0.823 25 S HN 0.376 nan 8.310 nan 0.000 0.469 26 V N 1.310 121.227 119.914 0.005 0.000 2.358 26 V HA -0.111 4.010 4.120 0.001 0.000 0.246 26 V C 2.300 178.390 176.094 -0.005 0.000 1.047 26 V CA 1.286 63.577 62.300 -0.014 0.000 1.035 26 V CB -0.725 31.070 31.823 -0.047 0.000 0.658 26 V HN 0.337 nan 8.190 nan 0.000 0.452 27 V N 0.241 120.154 119.914 -0.002 0.000 2.343 27 V HA -0.267 3.854 4.120 0.001 0.000 0.247 27 V C 2.562 178.659 176.094 0.006 0.000 1.051 27 V CA 2.125 64.426 62.300 0.002 0.000 1.036 27 V CB -0.761 31.058 31.823 -0.006 0.000 0.654 27 V HN 0.511 nan 8.190 nan 0.000 0.451 28 K N 0.242 120.647 120.400 0.009 0.000 1.991 28 K HA -0.234 4.087 4.320 0.001 0.000 0.212 28 K C 2.146 178.756 176.600 0.016 0.000 1.049 28 K CA 1.958 58.255 56.287 0.016 0.000 0.932 28 K CB -0.337 32.183 32.500 0.033 0.000 0.717 28 K HN 0.427 nan 8.250 nan 0.000 0.441 29 E N 1.025 121.231 120.200 0.010 0.000 2.058 29 E HA -0.156 4.195 4.350 0.001 0.000 0.194 29 E C 2.262 178.862 176.600 -0.001 0.000 0.997 29 E CA 1.031 57.429 56.400 -0.003 0.000 0.801 29 E CB -0.312 29.377 29.700 -0.017 0.000 0.746 29 E HN 0.383 nan 8.360 nan 0.000 0.450 30 L N 0.374 121.599 121.223 0.002 0.000 2.093 30 L HA -0.124 4.217 4.340 0.001 0.000 0.208 30 L C 2.544 179.424 176.870 0.016 0.000 1.085 30 L CA 0.667 55.511 54.840 0.007 0.000 0.755 30 L CB -0.519 41.545 42.059 0.008 0.000 0.904 30 L HN -0.018 nan 8.230 nan 0.000 0.435 31 V N -0.125 119.800 119.914 0.018 0.000 2.358 31 V HA -0.215 3.906 4.120 0.001 0.000 0.246 31 V C 2.370 178.481 176.094 0.027 0.000 1.047 31 V CA 1.551 63.866 62.300 0.024 0.000 1.035 31 V CB -0.467 31.369 31.823 0.022 0.000 0.658 31 V HN 0.444 nan 8.190 nan 0.000 0.452 32 E N 0.310 120.525 120.200 0.026 0.000 2.110 32 E HA -0.222 4.128 4.350 0.001 0.000 0.193 32 E C 2.078 178.697 176.600 0.030 0.000 0.988 32 E CA 1.264 57.684 56.400 0.033 0.000 0.804 32 E CB -0.241 29.478 29.700 0.032 0.000 0.745 32 E HN 0.563 nan 8.360 nan 0.000 0.458 33 N N 0.541 119.253 118.700 0.020 0.000 2.084 33 N HA -0.102 4.639 4.740 0.001 0.000 0.190 33 N C 1.938 177.464 175.510 0.027 0.000 1.030 33 N CA 1.041 54.102 53.050 0.019 0.000 0.849 33 N CB -0.363 38.130 38.487 0.010 0.000 1.012 33 N HN -0.030 nan 8.380 nan 0.000 0.423 34 S N 1.100 116.818 115.700 0.029 0.000 2.368 34 S HA -0.008 4.463 4.470 0.001 0.000 0.225 34 S C 2.128 176.751 174.600 0.038 0.000 1.030 34 S CA 0.675 58.896 58.200 0.036 0.000 0.999 34 S CB -0.258 62.965 63.200 0.038 0.000 0.844 34 S HN 0.249 nan 8.310 nan 0.000 0.459 35 L N 1.440 122.686 121.223 0.038 0.000 2.017 35 L HA -0.167 4.174 4.340 0.001 0.000 0.208 35 L C 2.130 179.026 176.870 0.044 0.000 1.073 35 L CA 1.244 56.109 54.840 0.042 0.000 0.745 35 L CB -0.761 41.325 42.059 0.044 0.000 0.894 35 L HN 0.208 nan 8.230 nan 0.000 0.432 36 D N 0.343 120.770 120.400 0.045 0.000 2.221 36 D HA -0.148 4.493 4.640 0.001 0.000 0.204 36 D C 1.875 178.200 176.300 0.041 0.000 0.982 36 D CA 1.384 55.411 54.000 0.046 0.000 0.857 36 D CB 0.026 40.855 40.800 0.048 0.000 0.934 36 D HN 0.334 nan 8.370 nan 0.000 0.475 37 A N -0.243 122.600 122.820 0.038 0.000 2.276 37 A HA 0.406 4.727 4.320 0.001 0.000 0.212 37 A C 1.700 179.306 177.584 0.038 0.000 1.230 37 A CA 0.831 52.890 52.037 0.036 0.000 0.844 37 A CB -0.358 18.663 19.000 0.035 0.000 0.860 37 A HN 0.214 nan 8.150 nan 0.000 0.486 38 G N -1.575 107.248 108.800 0.038 0.000 2.153 38 G HA2 0.038 3.999 3.960 0.001 0.000 0.252 38 G HA3 0.038 3.999 3.960 0.001 0.000 0.252 38 G C 0.494 175.417 174.900 0.039 0.000 0.994 38 G CA 0.413 45.535 45.100 0.038 0.000 0.698 38 G HN 1.628 nan 8.290 nan 0.000 0.521 39 A N -0.370 122.475 122.820 0.041 0.000 2.466 39 A HA 0.672 4.993 4.320 0.001 0.000 0.238 39 A C 1.519 179.128 177.584 0.042 0.000 1.074 39 A CA 1.564 53.627 52.037 0.043 0.000 0.774 39 A CB 0.349 19.377 19.000 0.045 0.000 1.015 39 A HN 1.610 nan 8.150 nan 0.000 0.498 40 T N -1.537 113.042 114.554 0.041 0.000 3.004 40 T HA 0.314 4.664 4.350 0.001 0.000 0.266 40 T C 0.470 175.196 174.700 0.044 0.000 0.986 40 T CA -0.013 62.112 62.100 0.042 0.000 0.902 40 T CB 0.001 68.893 68.868 0.040 0.000 1.118 40 T HN 0.688 nan 8.240 nan 0.000 0.522 41 R N 0.778 121.304 120.500 0.043 0.000 2.538 41 R HA 0.692 5.033 4.340 0.001 0.000 0.292 41 R C -1.937 174.390 176.300 0.045 0.000 1.008 41 R CA -0.759 55.367 56.100 0.043 0.000 0.896 41 R CB 1.346 31.667 30.300 0.036 0.000 1.187 41 R HN 0.319 nan 8.270 nan 0.000 0.440 42 I N 3.601 124.201 120.570 0.049 0.000 2.478 42 I HA 0.284 4.455 4.170 0.001 0.000 0.287 42 I C -0.983 175.164 176.117 0.050 0.000 1.042 42 I CA -0.904 60.426 61.300 0.050 0.000 1.067 42 I CB 2.286 40.316 38.000 0.050 0.000 1.233 42 I HN 0.401 nan 8.210 nan 0.000 0.431 43 D N 7.848 128.276 120.400 0.047 0.000 2.303 43 D HA 0.525 5.166 4.640 0.001 0.000 0.236 43 D C -0.380 175.950 176.300 0.050 0.000 1.068 43 D CA -0.070 53.956 54.000 0.044 0.000 0.830 43 D CB 2.497 43.317 40.800 0.034 0.000 1.109 43 D HN 0.313 nan 8.370 nan 0.000 0.496 44 I N 2.035 122.640 120.570 0.057 0.000 2.382 44 I HA 0.184 4.355 4.170 0.001 0.000 0.286 44 I C -0.362 175.805 176.117 0.083 0.000 1.002 44 I CA -0.740 60.600 61.300 0.066 0.000 1.135 44 I CB 1.575 39.616 38.000 0.069 0.000 1.288 44 I HN -0.030 nan 8.210 nan 0.000 0.448 45 D N 7.550 127.996 120.400 0.076 0.000 2.303 45 D HA 0.481 5.121 4.640 0.001 0.000 0.236 45 D C -0.341 176.021 176.300 0.104 0.000 1.068 45 D CA -0.202 53.847 54.000 0.083 0.000 0.830 45 D CB 2.518 43.350 40.800 0.053 0.000 1.109 45 D HN 0.162 nan 8.370 nan 0.000 0.496 46 I N 1.341 122.005 120.570 0.157 0.000 2.530 46 I HA 0.337 4.507 4.170 0.001 0.000 0.297 46 I C 0.249 176.510 176.117 0.239 0.000 1.011 46 I CA -0.622 60.795 61.300 0.194 0.000 1.107 46 I CB 1.826 39.988 38.000 0.270 0.000 1.285 46 I HN 0.202 nan 8.210 nan 0.000 0.436 47 E N 4.605 124.920 120.200 0.192 0.000 2.263 47 E HA 0.463 4.814 4.350 0.001 0.000 0.268 47 E C -0.780 175.920 176.600 0.166 0.000 0.884 47 E CA -0.770 55.717 56.400 0.145 0.000 0.766 47 E CB 1.765 31.497 29.700 0.052 0.000 1.196 47 E HN 0.368 nan 8.360 nan 0.000 0.416 48 R N 1.560 122.168 120.500 0.181 0.000 3.333 48 R HA -0.258 4.083 4.340 0.001 0.000 0.256 48 R C 0.669 177.108 176.300 0.232 0.000 1.010 48 R CA 0.593 56.798 56.100 0.176 0.000 0.680 48 R CB -1.881 28.467 30.300 0.079 0.000 1.102 48 R HN 1.104 nan 8.270 nan 0.000 0.440 49 G N -1.928 107.091 108.800 0.364 0.000 2.168 49 G HA2 -0.251 3.710 3.960 0.001 0.000 0.263 49 G HA3 -0.251 3.710 3.960 0.001 0.000 0.263 49 G C 0.899 175.877 174.900 0.130 0.000 0.977 49 G CA 0.959 46.172 45.100 0.189 0.000 0.659 49 G HN 1.537 nan 8.290 nan 0.000 0.533 50 G N -1.430 107.446 108.800 0.127 0.000 2.176 50 G HA2 0.138 4.099 3.960 0.001 0.000 0.232 50 G HA3 0.138 4.099 3.960 0.001 0.000 0.232 50 G C 1.462 176.386 174.900 0.039 0.000 0.986 50 G CA 1.218 46.362 45.100 0.074 0.000 0.643 50 G HN 2.016 nan 8.290 nan 0.000 0.522 51 A N 0.040 122.897 122.820 0.062 0.000 2.014 51 A HA 0.320 4.640 4.320 0.001 0.000 0.218 51 A C 1.994 179.598 177.584 0.032 0.000 1.163 51 A CA 2.335 54.402 52.037 0.050 0.000 0.652 51 A CB -0.204 18.847 19.000 0.084 0.000 0.808 51 A HN 0.558 nan 8.150 nan 0.000 0.449 52 K N -1.476 118.946 120.400 0.037 0.000 2.108 52 K HA 0.331 4.652 4.320 0.001 0.000 0.204 52 K C 0.222 176.823 176.600 0.001 0.000 1.036 52 K CA 0.503 56.800 56.287 0.017 0.000 0.965 52 K CB 0.037 32.550 32.500 0.022 0.000 0.804 52 K HN 0.385 nan 8.250 nan 0.000 0.454 53 L N 0.892 122.126 121.223 0.018 0.000 2.466 53 L HA 0.501 4.842 4.340 0.001 0.000 0.258 53 L C -1.860 175.027 176.870 0.029 0.000 0.973 53 L CA -0.806 54.041 54.840 0.010 0.000 0.826 53 L CB 2.163 44.227 42.059 0.009 0.000 1.372 53 L HN 0.053 nan 8.230 nan 0.000 0.409 54 I N 4.307 124.886 120.570 0.015 0.000 2.497 54 I HA 0.454 4.625 4.170 0.001 0.000 0.284 54 I C -0.893 175.237 176.117 0.023 0.000 1.060 54 I CA -0.428 60.887 61.300 0.025 0.000 1.071 54 I CB 1.844 39.848 38.000 0.006 0.000 1.216 54 I HN 0.564 nan 8.210 nan 0.000 0.442 55 R N 7.571 128.093 120.500 0.037 0.000 2.480 55 R HA 0.758 5.099 4.340 0.001 0.000 0.306 55 R C -1.693 174.635 176.300 0.045 0.000 0.958 55 R CA -0.499 55.623 56.100 0.038 0.000 0.861 55 R CB 1.573 31.896 30.300 0.038 0.000 1.171 55 R HN 0.601 nan 8.270 nan 0.000 0.445 56 I N 4.296 124.893 120.570 0.045 0.000 2.447 56 I HA 0.409 4.580 4.170 0.001 0.000 0.287 56 I C -0.453 175.702 176.117 0.063 0.000 1.023 56 I CA -0.786 60.544 61.300 0.050 0.000 1.083 56 I CB 2.067 40.091 38.000 0.040 0.000 1.245 56 I HN 0.510 nan 8.210 nan 0.000 0.434 57 R N 4.751 125.293 120.500 0.070 0.000 2.494 57 R HA 0.540 4.881 4.340 0.001 0.000 0.305 57 R C -1.629 174.718 176.300 0.078 0.000 0.959 57 R CA -0.484 55.672 56.100 0.094 0.000 0.864 57 R CB 1.769 32.121 30.300 0.086 0.000 1.159 57 R HN 0.777 nan 8.270 nan 0.000 0.446 58 D N 1.336 121.792 120.400 0.093 0.000 2.523 58 D HA 0.159 4.800 4.640 0.001 0.000 0.236 58 D C -0.621 175.729 176.300 0.083 0.000 1.094 58 D CA -0.879 53.166 54.000 0.074 0.000 0.942 58 D CB 1.132 41.970 40.800 0.063 0.000 1.447 58 D HN 0.496 nan 8.370 nan 0.000 0.479 59 N N -0.024 118.714 118.700 0.063 0.000 2.546 59 N HA 0.248 4.989 4.740 0.001 0.000 0.286 59 N C 0.268 175.812 175.510 0.057 0.000 1.259 59 N CA -0.641 52.445 53.050 0.060 0.000 0.939 59 N CB 0.516 39.028 38.487 0.042 0.000 1.243 59 N HN 0.515 nan 8.380 nan 0.000 0.511 60 G N -0.374 108.463 108.800 0.062 0.000 2.535 60 G HA2 0.154 4.115 3.960 0.001 0.000 0.282 60 G HA3 0.154 4.115 3.960 0.001 0.000 0.282 60 G C 1.197 176.129 174.900 0.053 0.000 1.350 60 G CA -0.252 44.879 45.100 0.052 0.000 1.039 60 G HN 0.520 nan 8.290 nan 0.000 0.509 61 C N -1.456 117.871 119.300 0.045 0.000 2.449 61 C HA 0.481 4.942 4.460 0.001 0.000 0.283 61 C C 1.617 176.634 174.990 0.045 0.000 1.453 61 C CA -0.096 58.947 59.018 0.043 0.000 1.779 61 C CB -1.821 25.940 27.740 0.036 0.000 1.779 61 C HN 2.050 nan 8.230 nan 0.000 0.546 62 G N 0.554 109.380 108.800 0.044 0.000 2.828 62 G HA2 -0.091 3.870 3.960 0.001 0.000 0.463 62 G HA3 -0.091 3.870 3.960 0.001 0.000 0.463 62 G C -0.880 174.036 174.900 0.027 0.000 1.394 62 G CA -0.115 45.007 45.100 0.037 0.000 0.862 62 G HN 0.792 nan 8.290 nan 0.000 0.540 63 I N 0.178 120.760 120.570 0.020 0.000 2.433 63 I HA 0.364 4.534 4.170 0.001 0.000 0.292 63 I C 0.633 176.762 176.117 0.020 0.000 1.001 63 I CA -0.867 60.441 61.300 0.013 0.000 1.119 63 I CB 2.011 40.012 38.000 0.001 0.000 1.289 63 I HN 0.476 nan 8.210 nan 0.000 0.438 64 K N 4.576 124.980 120.400 0.007 0.000 2.448 64 K HA 0.001 4.322 4.320 0.001 0.000 0.278 64 K C 1.182 177.752 176.600 -0.051 0.000 1.009 64 K CA 0.097 56.381 56.287 -0.006 0.000 0.995 64 K CB 0.829 33.318 32.500 -0.018 0.000 0.917 64 K HN 0.498 nan 8.250 nan 0.000 0.481 65 K N 2.567 122.910 120.400 -0.094 0.000 2.059 65 K HA -0.249 4.072 4.320 0.001 0.000 0.212 65 K C 0.244 176.677 176.600 -0.279 0.000 1.050 65 K CA 2.041 58.151 56.287 -0.294 0.000 0.927 65 K CB 0.100 32.214 32.500 -0.644 0.000 0.714 65 K HN 0.583 nan 8.250 nan 0.000 0.447 66 D N 0.432 120.705 120.400 -0.213 0.000 2.338 66 D HA -0.033 4.608 4.640 0.001 0.000 0.239 66 D C 0.366 176.599 176.300 -0.112 0.000 1.095 66 D CA 0.647 54.544 54.000 -0.171 0.000 0.888 66 D CB 0.393 41.108 40.800 -0.142 0.000 0.899 66 D HN 0.458 nan 8.370 nan 0.000 0.525 67 E N -0.435 119.709 120.200 -0.093 0.000 2.641 67 E HA 0.135 4.486 4.350 0.001 0.000 0.224 67 E C 1.890 178.458 176.600 -0.054 0.000 0.951 67 E CA -0.127 56.236 56.400 -0.060 0.000 1.102 67 E CB 0.744 30.420 29.700 -0.039 0.000 1.091 67 E HN 0.152 nan 8.360 nan 0.000 0.507 68 L N 0.979 122.161 121.223 -0.069 0.000 2.046 68 L HA -0.161 4.180 4.340 0.001 0.000 0.208 68 L C 2.591 179.430 176.870 -0.052 0.000 1.077 68 L CA 1.531 56.340 54.840 -0.051 0.000 0.747 68 L CB -0.386 41.643 42.059 -0.051 0.000 0.896 68 L HN 0.152 nan 8.230 nan 0.000 0.432 69 A N -0.141 122.637 122.820 -0.069 0.000 1.930 69 A HA -0.140 4.180 4.320 0.001 0.000 0.217 69 A C 2.223 179.779 177.584 -0.046 0.000 1.175 69 A CA 1.289 53.288 52.037 -0.062 0.000 0.627 69 A CB -0.618 18.338 19.000 -0.073 0.000 0.815 69 A HN 0.370 nan 8.150 nan 0.000 0.443 70 L N -0.856 120.340 121.223 -0.044 0.000 2.201 70 L HA -0.123 4.218 4.340 0.001 0.000 0.212 70 L C 2.859 179.712 176.870 -0.028 0.000 1.105 70 L CA 0.757 55.578 54.840 -0.032 0.000 0.775 70 L CB -0.327 41.715 42.059 -0.028 0.000 0.913 70 L HN 0.422 nan 8.230 nan 0.000 0.440 71 A N -0.460 122.343 122.820 -0.028 0.000 2.172 71 A HA -0.018 4.303 4.320 0.001 0.000 0.216 71 A C 1.957 179.526 177.584 -0.026 0.000 1.154 71 A CA 1.064 53.088 52.037 -0.023 0.000 0.701 71 A CB -0.280 18.709 19.000 -0.019 0.000 0.789 71 A HN 0.455 nan 8.150 nan 0.000 0.465 72 L N -1.677 119.528 121.223 -0.029 0.000 2.817 72 L HA 0.326 4.667 4.340 0.001 0.000 0.248 72 L C 1.112 177.958 176.870 -0.041 0.000 1.133 72 L CA -0.057 54.766 54.840 -0.028 0.000 0.935 72 L CB 0.074 42.124 42.059 -0.015 0.000 1.266 72 L HN 0.288 nan 8.230 nan 0.000 0.535 73 A N 0.845 123.638 122.820 -0.045 0.000 2.351 73 A HA 0.452 4.773 4.320 0.001 0.000 0.257 73 A C 0.290 177.815 177.584 -0.098 0.000 1.087 73 A CA -0.301 51.704 52.037 -0.054 0.000 0.798 73 A CB 0.328 19.308 19.000 -0.034 0.000 1.033 73 A HN 0.205 nan 8.150 nan 0.000 0.488 74 R N 0.577 120.986 120.500 -0.151 0.000 2.694 74 R HA 0.199 4.540 4.340 0.001 0.000 0.268 74 R C -0.203 175.900 176.300 -0.328 0.000 1.061 74 R CA -0.195 55.681 56.100 -0.373 0.000 1.133 74 R CB 0.067 30.034 30.300 -0.556 0.000 1.020 74 R HN 0.922 nan 8.270 nan 0.000 0.475 75 H N -2.372 116.690 119.070 -0.014 0.000 2.776 75 H HA -0.199 4.358 4.556 0.001 0.000 0.300 75 H C -0.623 174.704 175.328 -0.002 0.000 1.161 75 H CA 0.805 56.849 56.048 -0.007 0.000 1.147 75 H CB -1.688 28.072 29.762 -0.002 0.000 1.366 75 H HN 0.668 nan 8.280 nan 0.000 0.397 76 A N 0.768 123.605 122.820 0.029 0.000 2.287 76 A HA 0.645 4.965 4.320 0.001 0.000 0.317 76 A C 0.458 178.053 177.584 0.018 0.000 1.220 76 A CA 0.253 52.306 52.037 0.027 0.000 0.835 76 A CB 2.145 21.146 19.000 0.003 0.000 1.180 76 A HN 0.322 nan 8.150 nan 0.000 0.500 77 T N -0.014 114.559 114.554 0.032 0.000 2.868 77 T HA 0.504 4.855 4.350 0.001 0.000 0.306 77 T C 0.763 175.483 174.700 0.034 0.000 1.224 77 T CA 0.303 62.423 62.100 0.032 0.000 1.012 77 T CB 1.414 70.313 68.868 0.053 0.000 1.221 77 T HN 1.238 nan 8.240 nan 0.000 0.499 78 S N 1.563 117.282 115.700 0.032 0.000 2.523 78 S HA 0.261 4.732 4.470 0.001 0.000 0.217 78 S C 1.317 175.941 174.600 0.040 0.000 0.996 78 S CA -0.336 57.882 58.200 0.030 0.000 0.921 78 S CB -0.056 63.157 63.200 0.022 0.000 0.829 78 S HN 0.706 nan 8.310 nan 0.000 0.495 79 K N 1.241 121.674 120.400 0.055 0.000 2.186 79 K HA 0.299 4.620 4.320 0.001 0.000 0.202 79 K C 0.790 177.433 176.600 0.072 0.000 1.052 79 K CA 0.948 57.278 56.287 0.070 0.000 0.965 79 K CB -0.128 32.430 32.500 0.096 0.000 0.746 79 K HN 0.668 nan 8.250 nan 0.000 0.457 80 I N -5.086 115.531 120.570 0.079 0.000 2.969 80 I HA 0.582 4.753 4.170 0.001 0.000 0.307 80 I C -0.585 175.563 176.117 0.052 0.000 1.149 80 I CA -0.989 60.349 61.300 0.062 0.000 1.008 80 I CB 2.524 40.570 38.000 0.077 0.000 1.232 80 I HN -0.225 nan 8.210 nan 0.000 0.435 81 A N 2.423 125.265 122.820 0.036 0.000 2.704 81 A HA 0.630 4.951 4.320 0.001 0.000 0.260 81 A C 0.257 177.855 177.584 0.024 0.000 1.144 81 A CA 0.518 52.574 52.037 0.031 0.000 0.985 81 A CB -0.205 18.810 19.000 0.025 0.000 1.256 81 A HN 1.062 nan 8.150 nan 0.000 0.598 82 S N -1.973 113.739 115.700 0.021 0.000 2.643 82 S HA 0.500 4.971 4.470 0.001 0.000 0.270 82 S C 0.233 174.839 174.600 0.011 0.000 1.166 82 S CA -0.033 58.176 58.200 0.016 0.000 0.815 82 S CB 0.368 63.576 63.200 0.014 0.000 1.139 82 S HN 0.697 nan 8.310 nan 0.000 0.472 83 L N 1.203 122.432 121.223 0.010 0.000 2.093 83 L HA 0.097 4.438 4.340 0.001 0.000 0.208 83 L C 1.921 178.798 176.870 0.010 0.000 1.085 83 L CA 2.019 56.863 54.840 0.007 0.000 0.755 83 L CB -1.046 41.019 42.059 0.011 0.000 0.904 83 L HN 0.842 nan 8.230 nan 0.000 0.435 84 D N -0.243 120.170 120.400 0.021 0.000 2.123 84 D HA -0.200 4.441 4.640 0.001 0.000 0.196 84 D C 1.488 177.798 176.300 0.018 0.000 0.992 84 D CA 1.625 55.650 54.000 0.042 0.000 0.833 84 D CB 0.075 40.901 40.800 0.043 0.000 0.954 84 D HN 0.463 nan 8.370 nan 0.000 0.455 85 D N 0.501 120.899 120.400 -0.003 0.000 2.144 85 D HA -0.114 4.526 4.640 0.001 0.000 0.200 85 D C 2.196 178.449 176.300 -0.078 0.000 0.978 85 D CA 0.198 54.181 54.000 -0.028 0.000 0.833 85 D CB -0.279 40.517 40.800 -0.006 0.000 0.961 85 D HN 0.157 nan 8.370 nan 0.000 0.470 86 L N 1.699 122.874 121.223 -0.081 0.000 2.017 86 L HA -0.156 4.185 4.340 0.001 0.000 0.208 86 L C 1.774 178.530 176.870 -0.190 0.000 1.073 86 L CA 1.761 56.500 54.840 -0.168 0.000 0.745 86 L CB -0.650 41.343 42.059 -0.110 0.000 0.894 86 L HN 0.058 nan 8.230 nan 0.000 0.432 87 E N -0.701 119.447 120.200 -0.088 0.000 2.512 87 E HA 0.095 4.445 4.350 0.001 0.000 0.195 87 E C 0.746 177.259 176.600 -0.145 0.000 1.083 87 E CA 0.574 56.948 56.400 -0.043 0.000 0.873 87 E CB -0.135 29.619 29.700 0.090 0.000 0.897 87 E HN 0.487 nan 8.360 nan 0.000 0.514 88 A N 1.650 124.335 122.820 -0.226 0.000 2.806 88 A HA 0.240 4.561 4.320 0.001 0.000 0.266 88 A C 0.009 177.467 177.584 -0.210 0.000 0.926 88 A CA -0.632 51.189 52.037 -0.361 0.000 1.068 88 A CB 0.167 18.912 19.000 -0.425 0.000 1.189 88 A HN 0.060 nan 8.150 nan 0.000 0.481 89 I N 1.784 122.236 120.570 -0.196 0.000 2.821 89 I HA -0.096 4.075 4.170 0.001 0.000 0.294 89 I C 1.037 177.115 176.117 -0.065 0.000 1.210 89 I CA 0.678 61.888 61.300 -0.150 0.000 1.430 89 I CB -0.034 37.824 38.000 -0.237 0.000 1.356 89 I HN 0.608 nan 8.210 nan 0.000 0.563 90 I N 2.833 123.392 120.570 -0.019 0.000 3.966 90 I HA 0.273 4.444 4.170 0.001 0.000 0.324 90 I C 0.123 176.269 176.117 0.049 0.000 1.517 90 I CA -0.255 61.052 61.300 0.012 0.000 1.117 90 I CB 0.203 38.204 38.000 0.001 0.000 1.190 90 I HN 0.476 nan 8.210 nan 0.000 0.466 91 S N -0.175 115.572 115.700 0.080 0.000 2.588 91 S HA 0.574 5.045 4.470 0.001 0.000 0.275 91 S C 0.302 174.998 174.600 0.160 0.000 1.130 91 S CA -0.853 57.411 58.200 0.106 0.000 0.855 91 S CB 1.928 65.189 63.200 0.101 0.000 1.116 91 S HN 0.204 nan 8.310 nan 0.000 0.472 92 L N 0.928 122.232 121.223 0.134 0.000 2.141 92 L HA 0.194 4.535 4.340 0.001 0.000 0.209 92 L C 1.543 178.493 176.870 0.133 0.000 1.094 92 L CA 1.226 56.150 54.840 0.140 0.000 0.763 92 L CB -0.807 41.309 42.059 0.094 0.000 0.908 92 L HN 0.890 nan 8.230 nan 0.000 0.437 93 G N -1.582 107.279 108.800 0.102 0.000 2.434 93 G HA2 0.434 4.395 3.960 0.001 0.000 0.330 93 G HA3 0.434 4.395 3.960 0.001 0.000 0.330 93 G C -0.337 174.647 174.900 0.140 0.000 1.155 93 G CA -0.216 44.887 45.100 0.004 0.000 0.917 93 G HN 0.281 nan 8.290 nan 0.000 0.493 94 F N -2.163 117.796 119.950 0.014 0.000 3.086 94 F HA 0.249 4.777 4.527 0.001 0.000 0.411 94 F C 1.578 177.389 175.800 0.017 0.000 1.033 94 F CA -0.475 57.533 58.000 0.014 0.000 0.911 94 F CB 0.205 39.212 39.000 0.012 0.000 1.496 94 F HN 0.369 nan 8.300 nan 0.000 0.527 95 R N 1.649 121.985 120.500 -0.274 0.000 2.200 95 R HA 0.348 4.689 4.340 0.001 0.000 0.208 95 R C 1.525 177.816 176.300 -0.015 0.000 1.033 95 R CA 0.720 56.759 56.100 -0.103 0.000 1.000 95 R CB -0.385 29.770 30.300 -0.242 0.000 0.906 95 R HN 0.488 nan 8.270 nan 0.000 0.462 96 G N 1.421 110.191 108.800 -0.050 0.000 2.246 96 G HA2 -0.260 3.701 3.960 0.001 0.000 0.273 96 G HA3 -0.260 3.701 3.960 0.001 0.000 0.273 96 G C 0.405 175.260 174.900 -0.074 0.000 1.055 96 G CA 0.510 45.591 45.100 -0.030 0.000 0.851 96 G HN 0.349 nan 8.290 nan 0.000 0.500 97 E N -1.367 118.771 120.200 -0.103 0.000 2.441 97 E HA 0.257 4.607 4.350 0.001 0.000 0.212 97 E C 2.611 179.146 176.600 -0.107 0.000 0.840 97 E CA 0.630 56.952 56.400 -0.129 0.000 1.143 97 E CB -0.264 29.363 29.700 -0.121 0.000 1.153 97 E HN 0.625 nan 8.360 nan 0.000 0.539 98 A N 2.131 124.892 122.820 -0.098 0.000 1.884 98 A HA -0.201 4.120 4.320 0.001 0.000 0.219 98 A C 2.262 179.814 177.584 -0.053 0.000 1.197 98 A CA 1.458 53.450 52.037 -0.075 0.000 0.637 98 A CB -0.950 18.007 19.000 -0.072 0.000 0.827 98 A HN 0.181 nan 8.150 nan 0.000 0.450 99 L N -1.186 120.009 121.223 -0.047 0.000 2.131 99 L HA -0.204 4.137 4.340 0.001 0.000 0.210 99 L C 3.071 179.924 176.870 -0.030 0.000 1.092 99 L CA 1.043 55.865 54.840 -0.030 0.000 0.759 99 L CB -0.623 41.422 42.059 -0.024 0.000 0.903 99 L HN 0.500 nan 8.230 nan 0.000 0.435 100 A N -0.688 122.102 122.820 -0.051 0.000 1.897 100 A HA -0.143 4.178 4.320 0.001 0.000 0.215 100 A C 2.518 180.077 177.584 -0.041 0.000 1.181 100 A CA 1.795 53.800 52.037 -0.054 0.000 0.620 100 A CB -0.454 18.486 19.000 -0.101 0.000 0.821 100 A HN 0.340 nan 8.150 nan 0.000 0.443 101 S N 0.052 115.723 115.700 -0.048 0.000 2.348 101 S HA -0.105 4.366 4.470 0.001 0.000 0.221 101 S C 1.829 176.428 174.600 -0.003 0.000 1.033 101 S CA 1.503 59.686 58.200 -0.028 0.000 1.010 101 S CB -0.510 62.669 63.200 -0.036 0.000 0.891 101 S HN 0.536 nan 8.310 nan 0.000 0.442 102 I N 1.492 122.056 120.570 -0.010 0.000 2.208 102 I HA -0.174 3.997 4.170 0.001 0.000 0.245 102 I C 2.361 178.485 176.117 0.010 0.000 1.097 102 I CA 0.947 62.243 61.300 -0.007 0.000 1.363 102 I CB -0.517 37.471 38.000 -0.020 0.000 1.051 102 I HN 0.211 nan 8.210 nan 0.000 0.413 103 S N 0.616 116.326 115.700 0.017 0.000 2.399 103 S HA -0.160 4.311 4.470 0.001 0.000 0.231 103 S C 2.085 176.723 174.600 0.064 0.000 1.022 103 S CA 1.694 59.920 58.200 0.044 0.000 0.983 103 S CB -0.321 62.904 63.200 0.042 0.000 0.803 103 S HN 0.642 nan 8.310 nan 0.000 0.480 104 S N 1.006 116.732 115.700 0.044 0.000 2.561 104 S HA 0.018 4.489 4.470 0.001 0.000 0.225 104 S C 1.139 175.767 174.600 0.047 0.000 0.977 104 S CA 0.568 58.794 58.200 0.043 0.000 0.926 104 S CB -0.251 62.961 63.200 0.020 0.000 0.769 104 S HN 0.459 nan 8.310 nan 0.000 0.533 105 V N -0.930 119.025 119.914 0.068 0.000 2.991 105 V HA 0.664 4.785 4.120 0.001 0.000 0.355 105 V C -0.102 176.056 176.094 0.107 0.000 1.384 105 V CA 0.046 62.401 62.300 0.090 0.000 1.171 105 V CB -0.927 31.001 31.823 0.176 0.000 1.190 105 V HN 0.647 nan 8.190 nan 0.000 0.540 106 S N -0.307 115.512 115.700 0.198 0.000 2.671 106 S HA 0.562 5.033 4.470 0.001 0.000 0.270 106 S C -1.308 173.425 174.600 0.223 0.000 1.166 106 S CA -1.132 57.215 58.200 0.246 0.000 0.868 106 S CB 1.472 64.687 63.200 0.026 0.000 1.190 106 S HN 0.349 nan 8.310 nan 0.000 0.494 107 R N 1.037 121.545 120.500 0.014 0.000 2.272 107 R HA 0.511 4.852 4.340 0.001 0.000 0.323 107 R C -1.158 175.114 176.300 -0.046 0.000 1.002 107 R CA -0.372 55.683 56.100 -0.075 0.000 0.900 107 R CB 0.897 31.052 30.300 -0.242 0.000 1.151 107 R HN 0.694 nan 8.270 nan 0.000 0.507 108 L N 1.944 123.170 121.223 0.004 0.000 2.307 108 L HA 0.516 4.857 4.340 0.001 0.000 0.284 108 L C -0.811 176.091 176.870 0.053 0.000 1.023 108 L CA -0.227 54.623 54.840 0.018 0.000 0.810 108 L CB 2.014 44.090 42.059 0.028 0.000 1.231 108 L HN 0.399 nan 8.230 nan 0.000 0.423 109 T N 5.579 120.161 114.554 0.046 0.000 2.841 109 T HA 0.487 4.838 4.350 0.001 0.000 0.283 109 T C -1.042 173.698 174.700 0.068 0.000 1.000 109 T CA -0.349 61.808 62.100 0.094 0.000 0.977 109 T CB 1.701 70.609 68.868 0.067 0.000 0.979 109 T HN 0.431 nan 8.240 nan 0.000 0.446 110 L N 3.548 124.818 121.223 0.077 0.000 2.316 110 L HA 0.587 4.928 4.340 0.001 0.000 0.280 110 L C -0.524 176.353 176.870 0.011 0.000 1.006 110 L CA 0.048 54.906 54.840 0.029 0.000 0.836 110 L CB 1.100 43.172 42.059 0.022 0.000 1.221 110 L HN 0.629 nan 8.230 nan 0.000 0.418 111 T N 3.256 117.779 114.554 -0.052 0.000 2.779 111 T HA 0.709 5.060 4.350 0.001 0.000 0.280 111 T C -0.620 173.853 174.700 -0.378 0.000 0.987 111 T CA -0.471 61.549 62.100 -0.134 0.000 0.966 111 T CB 1.306 70.119 68.868 -0.092 0.000 0.933 111 T HN 0.600 nan 8.240 nan 0.000 0.442 112 S N 2.368 117.904 115.700 -0.274 0.000 2.588 112 S HA 0.796 5.267 4.470 0.001 0.000 0.269 112 S C -1.728 172.844 174.600 -0.046 0.000 1.157 112 S CA -0.943 57.096 58.200 -0.268 0.000 0.824 112 S CB 1.701 64.837 63.200 -0.106 0.000 1.126 112 S HN 0.791 nan 8.310 nan 0.000 0.464 113 R N 1.074 121.591 120.500 0.029 0.000 2.604 113 R HA 0.556 4.897 4.340 0.001 0.000 0.270 113 R C -1.049 175.311 176.300 0.100 0.000 1.052 113 R CA -0.415 55.752 56.100 0.112 0.000 0.902 113 R CB 1.672 32.052 30.300 0.132 0.000 1.233 113 R HN 0.832 nan 8.270 nan 0.000 0.455 114 T N 0.330 114.942 114.554 0.096 0.000 2.944 114 T HA 0.485 4.836 4.350 0.001 0.000 0.284 114 T C 1.251 175.992 174.700 0.069 0.000 1.010 114 T CA -0.209 61.935 62.100 0.073 0.000 1.025 114 T CB 1.762 70.667 68.868 0.062 0.000 1.079 114 T HN 0.642 nan 8.240 nan 0.000 0.516 115 A N 0.452 123.305 122.820 0.055 0.000 2.019 115 A HA -0.028 4.293 4.320 0.001 0.000 0.219 115 A C 1.911 179.522 177.584 0.045 0.000 1.164 115 A CA 1.355 53.420 52.037 0.047 0.000 0.644 115 A CB -0.891 18.132 19.000 0.039 0.000 0.805 115 A HN 0.874 nan 8.150 nan 0.000 0.449 116 E N 0.082 120.310 120.200 0.047 0.000 2.435 116 E HA 0.037 4.388 4.350 0.001 0.000 0.195 116 E C 0.507 177.142 176.600 0.058 0.000 1.029 116 E CA 0.289 56.716 56.400 0.045 0.000 0.865 116 E CB 0.042 29.765 29.700 0.039 0.000 0.833 116 E HN 0.724 nan 8.360 nan 0.000 0.510 117 Q N 0.067 119.912 119.800 0.075 0.000 2.230 117 Q HA 0.250 4.590 4.340 0.001 0.000 0.253 117 Q C 0.432 176.482 176.000 0.082 0.000 0.919 117 Q CA -0.298 55.567 55.803 0.103 0.000 0.908 117 Q CB 1.505 30.337 28.738 0.157 0.000 1.245 117 Q HN -0.051 nan 8.270 nan 0.000 0.437 118 Q N 0.639 120.486 119.800 0.079 0.000 2.297 118 Q HA 0.002 4.343 4.340 0.001 0.000 0.203 118 Q C -0.383 175.626 176.000 0.015 0.000 0.931 118 Q CA 0.973 56.802 55.803 0.043 0.000 0.885 118 Q CB 0.833 29.593 28.738 0.038 0.000 0.991 118 Q HN 0.432 nan 8.270 nan 0.000 0.498 119 E N -0.382 119.836 120.200 0.029 0.000 2.212 119 E HA 0.592 4.943 4.350 0.001 0.000 0.270 119 E C -1.141 175.351 176.600 -0.179 0.000 0.956 119 E CA -0.499 55.824 56.400 -0.130 0.000 0.825 119 E CB 1.693 31.261 29.700 -0.220 0.000 1.167 119 E HN 0.224 nan 8.360 nan 0.000 0.400 120 A N 1.568 124.170 122.820 -0.363 0.000 2.281 120 A HA 0.776 5.097 4.320 0.001 0.000 0.329 120 A C -1.370 175.849 177.584 -0.607 0.000 1.122 120 A CA -0.539 51.355 52.037 -0.238 0.000 0.850 120 A CB 0.661 19.627 19.000 -0.058 0.000 1.207 120 A HN 0.559 nan 8.150 nan 0.000 0.495 121 W N -0.953 120.340 121.300 -0.012 0.000 3.217 121 W HA 0.553 5.213 4.660 0.001 0.000 0.323 121 W C -0.373 176.125 176.519 -0.035 0.000 1.216 121 W CA -0.346 56.987 57.345 -0.019 0.000 1.194 121 W CB 1.526 30.970 29.460 -0.027 0.000 1.397 121 W HN 0.879 nan 8.180 nan 0.000 0.537 122 Q N 1.498 121.425 119.800 0.212 0.000 2.387 122 Q HA 0.973 5.313 4.340 0.001 0.000 0.273 122 Q C -1.104 174.960 176.000 0.106 0.000 1.089 122 Q CA -1.208 54.672 55.803 0.128 0.000 0.824 122 Q CB 2.825 31.634 28.738 0.118 0.000 1.367 122 Q HN 0.530 nan 8.270 nan 0.000 0.443 123 A N 1.543 124.405 122.820 0.070 0.000 2.587 123 A HA 0.809 5.130 4.320 0.001 0.000 0.293 123 A C -1.987 175.628 177.584 0.051 0.000 1.087 123 A CA -0.742 51.270 52.037 -0.043 0.000 0.692 123 A CB 1.483 20.450 19.000 -0.054 0.000 1.291 123 A HN 0.895 nan 8.150 nan 0.000 0.407 124 Y N -1.704 118.605 120.300 0.015 0.000 2.480 124 Y HA 0.768 5.319 4.550 0.002 0.000 0.329 124 Y C -0.231 175.676 175.900 0.011 0.000 1.127 124 Y CA -0.871 57.236 58.100 0.010 0.000 1.037 124 Y CB 0.614 39.080 38.460 0.010 0.000 1.320 124 Y HN 1.190 nan 8.280 nan 0.000 0.446 125 A N 2.295 125.225 122.820 0.183 0.000 2.286 125 A HA 0.746 5.067 4.320 0.001 0.000 0.286 125 A C -0.397 177.304 177.584 0.194 0.000 1.097 125 A CA -0.095 52.014 52.037 0.120 0.000 0.821 125 A CB 1.107 20.147 19.000 0.067 0.000 1.076 125 A HN 0.927 nan 8.150 nan 0.000 0.490 126 E N -0.298 119.988 120.200 0.143 0.000 2.388 126 E HA 0.483 4.833 4.350 0.001 0.000 0.282 126 E C -0.276 176.383 176.600 0.099 0.000 1.026 126 E CA -0.049 56.441 56.400 0.150 0.000 0.820 126 E CB 1.351 31.184 29.700 0.223 0.000 1.226 126 E HN 2.366 nan 8.360 nan 0.000 0.432 127 G N 2.370 111.225 108.800 0.092 0.000 2.796 127 G HA2 -0.263 3.697 3.960 0.001 0.000 0.571 127 G HA3 -0.263 3.697 3.960 0.001 0.000 0.571 127 G C 0.353 175.281 174.900 0.047 0.000 1.370 127 G CA 0.089 45.228 45.100 0.066 0.000 0.856 127 G HN 0.668 nan 8.290 nan 0.000 0.538 128 R N -0.340 120.181 120.500 0.034 0.000 2.127 128 R HA -0.082 4.259 4.340 0.001 0.000 0.238 128 R C 1.604 177.916 176.300 0.020 0.000 1.134 128 R CA 2.166 58.280 56.100 0.022 0.000 0.975 128 R CB -0.178 30.133 30.300 0.018 0.000 0.865 128 R HN 0.590 nan 8.270 nan 0.000 0.447 129 D N -0.715 119.698 120.400 0.022 0.000 2.339 129 D HA 0.084 4.725 4.640 0.001 0.000 0.217 129 D C -0.107 176.203 176.300 0.017 0.000 1.050 129 D CA 0.108 54.118 54.000 0.017 0.000 0.856 129 D CB 0.410 41.218 40.800 0.014 0.000 0.922 129 D HN -0.026 nan 8.370 nan 0.000 0.518 130 M N 0.775 120.391 119.600 0.027 0.000 2.249 130 M HA -0.200 4.281 4.480 0.001 0.000 0.198 130 M C -0.860 175.452 176.300 0.021 0.000 0.394 130 M CA 0.497 55.815 55.300 0.030 0.000 0.427 130 M CB -2.146 30.463 32.600 0.016 0.000 1.307 130 M HN 0.119 nan 8.290 nan 0.000 0.924 131 N N 0.455 119.170 118.700 0.025 0.000 2.513 131 N HA 0.396 5.137 4.740 0.001 0.000 0.268 131 N C 0.085 175.590 175.510 -0.010 0.000 1.180 131 N CA -0.133 52.920 53.050 0.006 0.000 0.948 131 N CB 1.264 39.758 38.487 0.011 0.000 1.083 131 N HN 0.183 nan 8.380 nan 0.000 0.455 132 V N 1.868 121.753 119.914 -0.048 0.000 2.472 132 V HA 0.324 4.445 4.120 0.001 0.000 0.290 132 V C 0.415 176.403 176.094 -0.177 0.000 1.037 132 V CA -0.360 61.877 62.300 -0.106 0.000 0.908 132 V CB 1.702 33.470 31.823 -0.091 0.000 0.985 132 V HN 0.605 nan 8.190 nan 0.000 0.454 133 T N 4.046 118.387 114.554 -0.354 0.000 2.829 133 T HA 0.642 4.993 4.350 0.001 0.000 0.280 133 T C -0.620 173.848 174.700 -0.386 0.000 0.999 133 T CA -0.398 61.458 62.100 -0.408 0.000 0.983 133 T CB 1.693 70.178 68.868 -0.637 0.000 0.968 133 T HN 0.352 nan 8.240 nan 0.000 0.446 134 V N 4.400 124.198 119.914 -0.193 0.000 2.531 134 V HA 0.656 4.777 4.120 0.001 0.000 0.301 134 V C -0.288 175.844 176.094 0.064 0.000 1.034 134 V CA -0.889 61.366 62.300 -0.075 0.000 0.865 134 V CB 1.682 33.443 31.823 -0.104 0.000 0.995 134 V HN 0.943 nan 8.190 nan 0.000 0.424 135 K N 4.298 124.815 120.400 0.194 0.000 2.509 135 K HA 0.792 5.113 4.320 0.001 0.000 0.266 135 K C -3.255 173.528 176.600 0.305 0.000 0.987 135 K CA -2.228 54.217 56.287 0.262 0.000 0.868 135 K CB 2.271 34.852 32.500 0.135 0.000 1.421 135 K HN 0.258 nan 8.250 nan 0.000 0.444 136 P HA 0.155 nan 4.420 nan 0.000 0.269 136 P C -1.189 175.987 177.300 -0.206 0.000 1.217 136 P CA -0.080 62.807 63.100 -0.355 0.000 0.783 136 P CB 0.829 32.341 31.700 -0.313 0.000 0.898 137 A N 0.638 123.277 122.820 -0.301 0.000 2.566 137 A HA 0.734 5.055 4.320 0.001 0.000 0.290 137 A C -1.767 175.736 177.584 -0.134 0.000 1.071 137 A CA -0.353 51.602 52.037 -0.137 0.000 0.658 137 A CB 0.798 19.772 19.000 -0.045 0.000 1.285 137 A HN 0.462 nan 8.150 nan 0.000 0.427 138 A N 0.952 123.747 122.820 -0.042 0.000 2.303 138 A HA 0.838 5.159 4.320 0.001 0.000 0.320 138 A C -0.633 176.997 177.584 0.078 0.000 1.192 138 A CA -0.276 51.749 52.037 -0.019 0.000 0.821 138 A CB 0.716 19.698 19.000 -0.030 0.000 1.188 138 A HN 1.468 nan 8.150 nan 0.000 0.492 139 H N 1.814 120.855 119.070 -0.048 0.000 3.081 139 H HA 0.352 4.909 4.556 0.001 0.000 0.322 139 H C -3.202 172.118 175.328 -0.013 0.000 1.266 139 H CA -0.820 55.215 56.048 -0.021 0.000 1.279 139 H CB 2.058 31.815 29.762 -0.008 0.000 1.954 139 H HN 0.522 nan 8.280 nan 0.000 0.530 140 P HA 0.128 nan 4.420 nan 0.000 0.277 140 P C -0.414 176.971 177.300 0.141 0.000 1.271 140 P CA -0.668 62.397 63.100 -0.058 0.000 0.795 140 P CB 0.705 32.312 31.700 -0.154 0.000 1.101 141 V N 0.739 120.708 119.914 0.092 0.000 2.493 141 V HA 0.435 4.556 4.120 0.001 0.000 0.292 141 V C 1.019 177.200 176.094 0.145 0.000 1.016 141 V CA 1.769 64.139 62.300 0.116 0.000 1.097 141 V CB -0.679 31.186 31.823 0.070 0.000 0.947 141 V HN 1.030 nan 8.190 nan 0.000 0.479 142 G N 4.539 113.449 108.800 0.184 0.000 2.325 142 G HA2 0.261 4.222 3.960 0.001 0.000 0.285 142 G HA3 0.261 4.222 3.960 0.001 0.000 0.285 142 G C -0.754 174.257 174.900 0.184 0.000 1.303 142 G CA -0.266 44.945 45.100 0.186 0.000 0.970 142 G HN 0.675 nan 8.290 nan 0.000 0.490 143 T N 0.221 114.868 114.554 0.155 0.000 2.909 143 T HA 0.745 5.096 4.350 0.001 0.000 0.299 143 T C -0.753 173.993 174.700 0.076 0.000 1.073 143 T CA -0.323 61.768 62.100 -0.015 0.000 0.999 143 T CB 2.007 70.868 68.868 -0.012 0.000 1.098 143 T HN 0.702 nan 8.240 nan 0.000 0.477 144 T N 3.459 118.004 114.554 -0.014 0.000 2.848 144 T HA 0.570 4.921 4.350 0.001 0.000 0.285 144 T C -1.086 173.633 174.700 0.031 0.000 0.995 144 T CA -0.675 61.489 62.100 0.108 0.000 0.970 144 T CB 0.813 69.829 68.868 0.246 0.000 0.976 144 T HN 0.184 nan 8.240 nan 0.000 0.441 145 L N 3.035 124.282 121.223 0.040 0.000 2.322 145 L HA 0.559 4.900 4.340 0.001 0.000 0.281 145 L C 0.103 176.989 176.870 0.027 0.000 1.014 145 L CA -0.376 54.479 54.840 0.025 0.000 0.815 145 L CB 1.740 43.811 42.059 0.019 0.000 1.247 145 L HN 0.725 nan 8.230 nan 0.000 0.421 146 E N 2.760 122.972 120.200 0.020 0.000 2.220 146 E HA 0.385 4.736 4.350 0.001 0.000 0.256 146 E C -1.353 175.243 176.600 -0.006 0.000 0.881 146 E CA -0.399 56.008 56.400 0.010 0.000 0.766 146 E CB 2.594 32.300 29.700 0.010 0.000 1.187 146 E HN 0.221 nan 8.360 nan 0.000 0.419 147 V N 5.414 125.320 119.914 -0.013 0.000 2.334 147 V HA 0.332 4.453 4.120 0.001 0.000 0.281 147 V C -0.495 175.573 176.094 -0.043 0.000 1.016 147 V CA -0.587 61.695 62.300 -0.030 0.000 0.832 147 V CB 0.748 32.548 31.823 -0.038 0.000 0.999 147 V HN 0.494 nan 8.190 nan 0.000 0.439 148 L N 3.141 124.328 121.223 -0.061 0.000 2.322 148 L HA 0.649 4.990 4.340 0.001 0.000 0.269 148 L C 0.416 177.233 176.870 -0.089 0.000 1.012 148 L CA -0.266 54.529 54.840 -0.075 0.000 0.815 148 L CB 1.100 43.100 42.059 -0.097 0.000 1.295 148 L HN 0.602 nan 8.230 nan 0.000 0.438 149 D N 0.698 121.056 120.400 -0.069 0.000 2.708 149 D HA -0.217 4.424 4.640 0.001 0.000 0.236 149 D C -0.033 176.314 176.300 0.078 0.000 1.146 149 D CA 0.617 54.603 54.000 -0.023 0.000 0.662 149 D CB -0.768 39.920 40.800 -0.187 0.000 1.059 149 D HN 0.329 nan 8.370 nan 0.000 0.428 150 L N 0.097 121.296 121.223 -0.040 0.000 2.615 150 L HA -0.139 4.201 4.340 0.001 0.000 0.284 150 L C 0.687 177.495 176.870 -0.104 0.000 1.237 150 L CA 0.409 55.108 54.840 -0.235 0.000 0.905 150 L CB -0.129 41.638 42.059 -0.487 0.000 1.149 150 L HN 0.376 nan 8.230 nan 0.000 0.499 151 F N 3.166 123.190 119.950 0.123 0.000 2.973 151 F HA -0.338 4.190 4.527 0.002 0.000 0.299 151 F C 1.199 177.022 175.800 0.039 0.000 0.737 151 F CA 1.221 59.256 58.000 0.057 0.000 1.151 151 F CB -2.775 36.260 39.000 0.058 0.000 1.440 151 F HN 0.693 nan 8.300 nan 0.000 0.367 152 Y N 1.734 122.117 120.300 0.139 0.000 2.256 152 Y HA -0.142 4.408 4.550 0.001 0.000 0.288 152 Y C 1.736 177.686 175.900 0.083 0.000 1.155 152 Y CA 1.858 60.012 58.100 0.090 0.000 1.203 152 Y CB -0.850 37.635 38.460 0.041 0.000 0.980 152 Y HN 0.273 nan 8.280 nan 0.000 0.530 153 N N 0.392 118.538 118.700 -0.923 0.000 2.280 153 N HA 0.020 4.760 4.740 0.001 0.000 0.192 153 N C -0.180 175.181 175.510 -0.248 0.000 1.109 153 N CA 0.715 53.358 53.050 -0.678 0.000 0.855 153 N CB -0.514 37.450 38.487 -0.872 0.000 0.974 153 N HN 0.472 nan 8.380 nan 0.000 0.482 154 T N -2.989 111.499 114.554 -0.110 0.000 3.585 154 T HA 0.394 4.745 4.350 0.001 0.000 0.252 154 T C -2.298 172.400 174.700 -0.003 0.000 1.382 154 T CA -1.450 60.631 62.100 -0.032 0.000 1.584 154 T CB 1.581 70.457 68.868 0.014 0.000 0.892 154 T HN -0.263 nan 8.240 nan 0.000 0.671 155 P HA -0.194 nan 4.420 nan 0.000 0.218 155 P C 1.863 179.152 177.300 -0.017 0.000 1.154 155 P CA 1.697 64.803 63.100 0.010 0.000 0.872 155 P CB -0.038 31.662 31.700 -0.001 0.000 0.790 156 A N -0.462 122.337 122.820 -0.035 0.000 1.972 156 A HA -0.212 4.109 4.320 0.001 0.000 0.219 156 A C 2.187 179.744 177.584 -0.046 0.000 1.169 156 A CA 1.450 53.456 52.037 -0.052 0.000 0.635 156 A CB -0.935 18.052 19.000 -0.022 0.000 0.810 156 A HN 0.132 nan 8.150 nan 0.000 0.446 157 R N -1.244 119.210 120.500 -0.077 0.000 2.148 157 R HA -0.005 4.336 4.340 0.001 0.000 0.223 157 R C 2.322 178.489 176.300 -0.221 0.000 1.088 157 R CA 1.099 57.091 56.100 -0.180 0.000 0.985 157 R CB -0.198 29.685 30.300 -0.696 0.000 0.880 157 R HN 0.516 nan 8.270 nan 0.000 0.451 158 R N 1.482 121.928 120.500 -0.090 0.000 2.148 158 R HA -0.061 4.280 4.340 0.001 0.000 0.227 158 R C 1.554 177.875 176.300 0.034 0.000 1.103 158 R CA 1.193 57.350 56.100 0.095 0.000 0.983 158 R CB 0.170 30.570 30.300 0.166 0.000 0.874 158 R HN 0.069 nan 8.270 nan 0.000 0.451 159 K N -0.641 119.707 120.400 -0.087 0.000 2.283 159 K HA -0.116 4.205 4.320 0.001 0.000 0.202 159 K C 1.167 177.623 176.600 -0.239 0.000 1.048 159 K CA 0.913 57.086 56.287 -0.190 0.000 0.948 159 K CB 0.020 32.330 32.500 -0.316 0.000 0.742 159 K HN 0.190 nan 8.250 nan 0.000 0.458 160 F N 1.289 121.201 119.950 -0.064 0.000 2.780 160 F HA 0.066 4.594 4.527 0.001 0.000 0.299 160 F C 0.859 176.645 175.800 -0.024 0.000 1.146 160 F CA 0.123 58.088 58.000 -0.059 0.000 1.428 160 F CB -0.161 38.776 39.000 -0.105 0.000 1.115 160 F HN -0.139 nan 8.300 nan 0.000 0.583 161 L N 1.295 122.605 121.223 0.146 0.000 2.410 161 L HA 0.099 4.440 4.340 0.001 0.000 0.273 161 L C 1.114 178.037 176.870 0.090 0.000 1.144 161 L CA -0.168 54.754 54.840 0.137 0.000 0.863 161 L CB 0.323 42.480 42.059 0.165 0.000 1.140 161 L HN -0.010 nan 8.230 nan 0.000 0.463 162 R N 1.212 121.759 120.500 0.078 0.000 2.650 162 R HA 0.262 4.603 4.340 0.001 0.000 0.232 162 R C 0.278 176.625 176.300 0.080 0.000 1.247 162 R CA -0.264 55.878 56.100 0.069 0.000 1.061 162 R CB 0.337 30.675 30.300 0.063 0.000 1.279 162 R HN 0.703 nan 8.270 nan 0.000 0.549 163 T N -1.528 113.076 114.554 0.083 0.000 2.900 163 T HA 0.032 4.383 4.350 0.001 0.000 0.307 163 T C 1.182 175.951 174.700 0.116 0.000 1.065 163 T CA -0.289 61.864 62.100 0.089 0.000 1.105 163 T CB 0.582 69.500 68.868 0.083 0.000 0.979 163 T HN 0.413 nan 8.240 nan 0.000 0.544 164 E N 0.644 120.916 120.200 0.121 0.000 2.085 164 E HA -0.201 4.150 4.350 0.001 0.000 0.194 164 E C 2.159 178.887 176.600 0.213 0.000 0.994 164 E CA 1.399 57.896 56.400 0.163 0.000 0.801 164 E CB -0.104 29.690 29.700 0.156 0.000 0.743 164 E HN 0.788 nan 8.360 nan 0.000 0.453 165 K N 0.463 120.978 120.400 0.192 0.000 2.032 165 K HA -0.160 4.161 4.320 0.001 0.000 0.209 165 K C 2.087 178.816 176.600 0.216 0.000 1.048 165 K CA 1.834 58.252 56.287 0.218 0.000 0.927 165 K CB -0.078 32.513 32.500 0.151 0.000 0.712 165 K HN 0.035 nan 8.250 nan 0.000 0.441 166 T N 1.610 116.270 114.554 0.177 0.000 2.708 166 T HA -0.101 4.250 4.350 0.001 0.000 0.266 166 T C 1.562 176.422 174.700 0.266 0.000 1.037 166 T CA 1.288 63.507 62.100 0.199 0.000 1.146 166 T CB -0.172 68.801 68.868 0.175 0.000 0.865 166 T HN 0.300 nan 8.240 nan 0.000 0.435 167 E N 0.653 120.972 120.200 0.198 0.000 2.110 167 E HA -0.066 4.285 4.350 0.001 0.000 0.193 167 E C 1.852 178.537 176.600 0.142 0.000 0.988 167 E CA 0.774 57.270 56.400 0.160 0.000 0.804 167 E CB -0.455 29.317 29.700 0.119 0.000 0.745 167 E HN 0.526 nan 8.360 nan 0.000 0.458 168 F N 2.483 122.419 119.950 -0.023 0.000 2.186 168 F HA -0.103 4.425 4.527 0.001 0.000 0.299 168 F C 1.740 177.502 175.800 -0.062 0.000 1.090 168 F CA 1.011 58.912 58.000 -0.166 0.000 1.307 168 F CB -0.104 38.634 39.000 -0.437 0.000 1.019 168 F HN -0.059 nan 8.300 nan 0.000 0.489 169 N N -0.091 118.586 118.700 -0.038 0.000 2.166 169 N HA -0.191 4.550 4.740 0.001 0.000 0.186 169 N C 1.588 176.953 175.510 -0.241 0.000 1.019 169 N CA 1.639 54.600 53.050 -0.149 0.000 0.856 169 N CB -0.687 37.770 38.487 -0.051 0.000 0.993 169 N HN 0.438 nan 8.380 nan 0.000 0.426 170 H N 0.280 119.269 119.070 -0.135 0.000 2.428 170 H HA 0.162 4.719 4.556 0.001 0.000 0.296 170 H C 2.050 177.276 175.328 -0.170 0.000 1.062 170 H CA 0.731 56.711 56.048 -0.113 0.000 1.350 170 H CB 0.024 29.755 29.762 -0.053 0.000 1.403 170 H HN 0.176 nan 8.280 nan 0.000 0.533 171 I N -0.043 120.435 120.570 -0.153 0.000 2.202 171 I HA -0.226 3.945 4.170 0.001 0.000 0.242 171 I C 2.186 178.106 176.117 -0.330 0.000 1.091 171 I CA 1.488 62.648 61.300 -0.234 0.000 1.368 171 I CB -0.131 37.683 38.000 -0.310 0.000 1.058 171 I HN 0.234 nan 8.210 nan 0.000 0.410 172 D N 0.910 120.971 120.400 -0.565 0.000 2.123 172 D HA -0.271 4.370 4.640 0.001 0.000 0.196 172 D C 1.998 178.169 176.300 -0.215 0.000 0.992 172 D CA 1.436 55.168 54.000 -0.446 0.000 0.833 172 D CB 0.052 40.532 40.800 -0.533 0.000 0.954 172 D HN 0.196 nan 8.370 nan 0.000 0.455 173 E N -0.180 119.896 120.200 -0.207 0.000 2.072 173 E HA -0.102 4.249 4.350 0.001 0.000 0.191 173 E C 2.152 178.657 176.600 -0.158 0.000 0.985 173 E CA 0.703 57.009 56.400 -0.156 0.000 0.801 173 E CB -0.349 29.250 29.700 -0.168 0.000 0.750 173 E HN 0.270 nan 8.360 nan 0.000 0.452 174 I N 0.911 121.400 120.570 -0.134 0.000 2.163 174 I HA -0.248 3.923 4.170 0.001 0.000 0.243 174 I C 2.053 178.102 176.117 -0.114 0.000 1.085 174 I CA 0.992 62.225 61.300 -0.111 0.000 1.347 174 I CB -0.842 37.119 38.000 -0.065 0.000 1.044 174 I HN 0.237 nan 8.210 nan 0.000 0.408 175 I N 0.314 120.827 120.570 -0.096 0.000 2.454 175 I HA -0.249 3.922 4.170 0.001 0.000 0.254 175 I C 2.617 178.665 176.117 -0.115 0.000 1.156 175 I CA 1.099 62.367 61.300 -0.054 0.000 1.433 175 I CB -1.236 36.776 38.000 0.019 0.000 1.082 175 I HN 0.257 nan 8.210 nan 0.000 0.432 176 R N 1.165 121.575 120.500 -0.150 0.000 2.061 176 R HA -0.106 4.235 4.340 0.001 0.000 0.230 176 R C 2.518 178.610 176.300 -0.347 0.000 1.140 176 R CA 1.348 57.300 56.100 -0.246 0.000 0.940 176 R CB -0.126 30.075 30.300 -0.164 0.000 0.839 176 R HN 0.204 nan 8.270 nan 0.000 0.429 177 R N -0.075 120.200 120.500 -0.376 0.000 2.103 177 R HA -0.138 4.203 4.340 0.001 0.000 0.242 177 R C 2.317 178.556 176.300 -0.103 0.000 1.142 177 R CA 1.863 57.734 56.100 -0.382 0.000 0.960 177 R CB -0.473 29.598 30.300 -0.382 0.000 0.858 177 R HN 0.322 nan 8.270 nan 0.000 0.439 178 I N 0.337 120.839 120.570 -0.113 0.000 2.353 178 I HA -0.179 3.992 4.170 0.001 0.000 0.248 178 I C 2.504 178.526 176.117 -0.158 0.000 1.119 178 I CA 0.894 62.157 61.300 -0.061 0.000 1.417 178 I CB -0.277 37.698 38.000 -0.042 0.000 1.078 178 I HN 0.192 nan 8.210 nan 0.000 0.421 179 A N 0.669 123.313 122.820 -0.293 0.000 1.969 179 A HA -0.106 4.215 4.320 0.001 0.000 0.218 179 A C 2.234 179.455 177.584 -0.605 0.000 1.169 179 A CA 1.227 52.978 52.037 -0.476 0.000 0.635 179 A CB -0.620 17.842 19.000 -0.898 0.000 0.810 179 A HN 0.391 nan 8.150 nan 0.000 0.445 180 L N -1.166 119.763 121.223 -0.489 0.000 2.240 180 L HA -0.060 4.281 4.340 0.001 0.000 0.211 180 L C 2.920 179.609 176.870 -0.302 0.000 1.106 180 L CA 0.711 55.275 54.840 -0.461 0.000 0.793 180 L CB -0.305 41.692 42.059 -0.102 0.000 0.927 180 L HN 0.422 nan 8.230 nan 0.000 0.446 181 A N -0.591 122.040 122.820 -0.316 0.000 1.929 181 A HA 0.004 4.325 4.320 0.001 0.000 0.216 181 A C 1.082 178.632 177.584 -0.056 0.000 1.176 181 A CA 0.917 52.795 52.037 -0.265 0.000 0.628 181 A CB 0.063 19.022 19.000 -0.069 0.000 0.816 181 A HN 0.157 nan 8.150 nan 0.000 0.444 182 R N -0.902 119.543 120.500 -0.093 0.000 2.415 182 R HA 0.360 4.701 4.340 0.001 0.000 0.292 182 R C -0.768 175.510 176.300 -0.036 0.000 1.295 182 R CA -0.442 55.654 56.100 -0.008 0.000 1.137 182 R CB 0.095 30.395 30.300 0.001 0.000 1.135 182 R HN 0.366 nan 8.270 nan 0.000 0.560 183 F N 1.161 121.090 119.950 -0.035 0.000 2.365 183 F HA -0.142 4.385 4.527 0.001 0.000 0.300 183 F C 2.032 177.837 175.800 0.008 0.000 1.090 183 F CA 1.320 59.314 58.000 -0.010 0.000 1.408 183 F CB 0.228 39.230 39.000 0.004 0.000 1.060 183 F HN 0.401 nan 8.300 nan 0.000 0.534 184 D N -0.370 120.134 120.400 0.173 0.000 2.363 184 D HA -0.020 4.621 4.640 0.001 0.000 0.226 184 D C 0.197 176.542 176.300 0.075 0.000 1.020 184 D CA 0.574 54.640 54.000 0.110 0.000 0.892 184 D CB -0.371 40.478 40.800 0.082 0.000 0.900 184 D HN 0.052 nan 8.370 nan 0.000 0.531 185 V N 0.835 120.784 119.914 0.059 0.000 2.459 185 V HA 0.222 4.343 4.120 0.001 0.000 0.295 185 V C 0.309 176.437 176.094 0.057 0.000 1.029 185 V CA -0.744 61.585 62.300 0.048 0.000 0.874 185 V CB 1.829 33.672 31.823 0.033 0.000 0.985 185 V HN -0.030 nan 8.190 nan 0.000 0.438 186 T N 6.602 121.194 114.554 0.064 0.000 2.832 186 T HA 0.586 4.936 4.350 0.001 0.000 0.296 186 T C -0.202 174.548 174.700 0.084 0.000 0.968 186 T CA 0.267 62.413 62.100 0.078 0.000 1.107 186 T CB 0.100 69.004 68.868 0.060 0.000 0.916 186 T HN 0.407 nan 8.240 nan 0.000 0.517 187 I N 4.047 124.692 120.570 0.124 0.000 2.478 187 I HA 0.352 4.523 4.170 0.001 0.000 0.287 187 I C -0.566 175.606 176.117 0.092 0.000 1.042 187 I CA -0.984 60.395 61.300 0.132 0.000 1.067 187 I CB 1.796 39.917 38.000 0.201 0.000 1.233 187 I HN 0.447 nan 8.210 nan 0.000 0.431 188 N N 6.193 124.922 118.700 0.048 0.000 2.372 188 N HA 0.571 5.312 4.740 0.001 0.000 0.291 188 N C -1.356 174.172 175.510 0.029 0.000 1.024 188 N CA -0.536 52.517 53.050 0.005 0.000 0.873 188 N CB 2.966 41.456 38.487 0.005 0.000 1.206 188 N HN 0.359 nan 8.380 nan 0.000 0.486 189 L N 1.208 122.442 121.223 0.019 0.000 2.356 189 L HA 0.574 4.915 4.340 0.001 0.000 0.277 189 L C -0.711 176.231 176.870 0.121 0.000 0.996 189 L CA -0.173 54.719 54.840 0.086 0.000 0.822 189 L CB 1.557 43.676 42.059 0.100 0.000 1.256 189 L HN 0.365 nan 8.230 nan 0.000 0.413 190 S N 3.417 119.204 115.700 0.146 0.000 2.542 190 S HA 0.550 5.021 4.470 0.001 0.000 0.293 190 S C -1.431 173.262 174.600 0.155 0.000 1.089 190 S CA -0.499 57.770 58.200 0.116 0.000 0.961 190 S CB 1.313 64.545 63.200 0.055 0.000 1.062 190 S HN 0.745 nan 8.310 nan 0.000 0.483 191 H N 2.253 121.234 119.070 -0.149 0.000 2.744 191 H HA 0.283 4.840 4.556 0.001 0.000 0.339 191 H C -0.697 174.478 175.328 -0.256 0.000 1.004 191 H CA -0.580 55.252 56.048 -0.361 0.000 1.257 191 H CB 0.373 29.435 29.762 -1.166 0.000 1.552 191 H HN 0.719 nan 8.280 nan 0.000 0.522 192 N N 3.662 122.209 118.700 -0.255 0.000 2.714 192 N HA -0.189 4.552 4.740 0.001 0.000 0.253 192 N C 1.099 176.508 175.510 -0.170 0.000 1.024 192 N CA 1.445 54.324 53.050 -0.285 0.000 0.726 192 N CB -1.329 36.852 38.487 -0.510 0.000 0.908 192 N HN 1.116 nan 8.380 nan 0.000 0.542 193 G N -1.305 107.441 108.800 -0.091 0.000 2.284 193 G HA2 -0.379 3.582 3.960 0.001 0.000 0.261 193 G HA3 -0.379 3.582 3.960 0.001 0.000 0.261 193 G C 0.099 174.963 174.900 -0.060 0.000 0.997 193 G CA 1.051 46.113 45.100 -0.064 0.000 0.621 193 G HN 0.535 nan 8.290 nan 0.000 0.534 194 K N 0.290 120.639 120.400 -0.084 0.000 2.159 194 K HA 0.633 4.954 4.320 0.001 0.000 0.266 194 K C 0.096 176.675 176.600 -0.036 0.000 0.975 194 K CA -0.864 55.384 56.287 -0.065 0.000 0.865 194 K CB 2.318 34.765 32.500 -0.087 0.000 1.087 194 K HN 0.267 nan 8.250 nan 0.000 0.446 195 I N 3.527 124.085 120.570 -0.020 0.000 2.556 195 I HA -0.083 4.088 4.170 0.001 0.000 0.284 195 I C 0.559 176.680 176.117 0.007 0.000 1.114 195 I CA 0.045 61.344 61.300 -0.002 0.000 1.418 195 I CB 0.806 38.798 38.000 -0.014 0.000 1.394 195 I HN 0.451 nan 8.210 nan 0.000 0.552 196 V N 6.852 126.793 119.914 0.046 0.000 2.922 196 V HA 0.189 4.310 4.120 0.001 0.000 0.242 196 V C 0.487 176.585 176.094 0.006 0.000 1.094 196 V CA 0.608 62.956 62.300 0.080 0.000 1.106 196 V CB -0.342 31.638 31.823 0.261 0.000 0.799 196 V HN 0.851 nan 8.190 nan 0.000 0.474 197 R N 0.915 121.381 120.500 -0.057 0.000 2.692 197 R HA 0.564 4.905 4.340 0.001 0.000 0.269 197 R C -1.927 174.196 176.300 -0.294 0.000 1.030 197 R CA -0.770 55.191 56.100 -0.232 0.000 0.882 197 R CB 1.435 31.496 30.300 -0.398 0.000 1.250 197 R HN 0.201 nan 8.270 nan 0.000 0.465 198 Q N 1.517 121.077 119.800 -0.400 0.000 2.650 198 Q HA 0.258 4.599 4.340 0.001 0.000 0.239 198 Q C -1.600 174.234 176.000 -0.276 0.000 0.893 198 Q CA -0.836 54.804 55.803 -0.271 0.000 0.755 198 Q CB 0.896 29.564 28.738 -0.116 0.000 1.349 198 Q HN 0.539 nan 8.270 nan 0.000 0.461 199 Y N 1.360 121.660 120.300 -0.001 0.000 2.402 199 Y HA 0.298 4.849 4.550 0.001 0.000 0.333 199 Y C 0.566 176.468 175.900 0.003 0.000 1.076 199 Y CA -0.308 57.786 58.100 -0.010 0.000 1.299 199 Y CB 0.797 39.232 38.460 -0.043 0.000 1.197 199 Y HN 0.330 nan 8.280 nan 0.000 0.517 200 R N 1.980 122.578 120.500 0.165 0.000 2.349 200 R HA 0.654 4.995 4.340 0.001 0.000 0.299 200 R C -0.138 176.234 176.300 0.120 0.000 1.027 200 R CA -0.805 55.362 56.100 0.111 0.000 0.958 200 R CB 0.929 31.281 30.300 0.087 0.000 1.047 200 R HN 0.774 nan 8.270 nan 0.000 0.468 201 A N 2.552 125.431 122.820 0.098 0.000 2.462 201 A HA 0.298 4.619 4.320 0.001 0.000 0.243 201 A C -0.148 177.503 177.584 0.112 0.000 1.076 201 A CA -0.257 51.840 52.037 0.100 0.000 0.773 201 A CB 0.526 19.572 19.000 0.077 0.000 1.010 201 A HN 0.449 nan 8.150 nan 0.000 0.493 202 V N 5.710 125.709 119.914 0.141 0.000 2.407 202 V HA 0.401 4.522 4.120 0.001 0.000 0.291 202 V C -1.780 174.373 176.094 0.097 0.000 1.018 202 V CA -1.022 61.356 62.300 0.131 0.000 0.842 202 V CB 1.412 33.348 31.823 0.188 0.000 0.996 202 V HN 0.982 nan 8.190 nan 0.000 0.426 208 K N 2.170 122.580 120.400 0.016 0.000 2.418 208 K HA -0.069 4.252 4.320 0.001 0.000 0.195 208 K C 1.258 177.917 176.600 0.099 0.000 1.035 208 K CA 0.733 57.023 56.287 0.006 0.000 1.003 208 K CB 0.380 32.637 32.500 -0.405 0.000 0.793 208 K HN 0.623 nan 8.250 nan 0.000 0.494 209 E N 1.719 121.955 120.200 0.061 0.000 2.147 209 E HA -0.273 4.078 4.350 0.001 0.000 0.199 209 E C 1.539 178.158 176.600 0.031 0.000 1.005 209 E CA 1.398 57.801 56.400 0.005 0.000 0.810 209 E CB 0.196 29.908 29.700 0.021 0.000 0.736 209 E HN 0.131 nan 8.360 nan 0.000 0.460 210 R N 0.302 120.845 120.500 0.072 0.000 2.088 210 R HA -0.122 4.219 4.340 0.001 0.000 0.232 210 R C 2.549 178.915 176.300 0.110 0.000 1.136 210 R CA 1.983 58.132 56.100 0.082 0.000 0.926 210 R CB -0.692 29.661 30.300 0.089 0.000 0.837 210 R HN 0.159 nan 8.270 nan 0.000 0.429 211 R N 0.521 121.125 120.500 0.174 0.000 2.083 211 R HA -0.154 4.187 4.340 0.001 0.000 0.237 211 R C 2.104 178.476 176.300 0.120 0.000 1.137 211 R CA 1.613 57.819 56.100 0.176 0.000 0.951 211 R CB -0.535 29.896 30.300 0.220 0.000 0.851 211 R HN 0.188 nan 8.270 nan 0.000 0.434 212 L N 0.662 121.982 121.223 0.162 0.000 2.021 212 L HA -0.113 4.228 4.340 0.001 0.000 0.215 212 L C 2.182 179.064 176.870 0.019 0.000 1.074 212 L CA 2.558 57.414 54.840 0.026 0.000 0.760 212 L CB -1.154 40.759 42.059 -0.245 0.000 0.889 212 L HN 0.341 nan 8.230 nan 0.000 0.433 213 G N -1.455 107.362 108.800 0.028 0.000 2.402 213 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 213 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 213 G C 1.571 176.510 174.900 0.066 0.000 1.162 213 G CA 0.721 45.849 45.100 0.047 0.000 0.777 213 G HN 0.679 nan 8.290 nan 0.000 0.539 214 A N 0.165 123.037 122.820 0.086 0.000 2.019 214 A HA 0.158 4.479 4.320 0.001 0.000 0.219 214 A C 2.307 179.996 177.584 0.175 0.000 1.164 214 A CA 1.056 53.169 52.037 0.126 0.000 0.644 214 A CB -0.198 18.900 19.000 0.162 0.000 0.805 214 A HN 0.417 nan 8.150 nan 0.000 0.449 215 I N -1.828 118.808 120.570 0.111 0.000 2.512 215 I HA -0.118 4.053 4.170 0.001 0.000 0.247 215 I C 1.749 177.883 176.117 0.029 0.000 1.094 215 I CA 0.679 62.014 61.300 0.060 0.000 1.427 215 I CB -0.077 37.828 38.000 -0.158 0.000 1.149 215 I HN 0.278 nan 8.210 nan 0.000 0.438 216 C N 1.051 120.347 119.300 -0.006 0.000 2.799 216 C HA 0.506 4.967 4.460 0.001 0.000 0.267 216 C C 1.112 176.105 174.990 0.004 0.000 1.257 216 C CA 0.112 59.095 59.018 -0.059 0.000 1.702 216 C CB -1.048 26.536 27.740 -0.261 0.000 1.934 216 C HN 0.724 nan 8.230 nan 0.000 0.594 217 G N 0.074 108.904 108.800 0.050 0.000 2.619 217 G HA2 -0.093 3.868 3.960 0.001 0.000 0.686 217 G HA3 -0.093 3.868 3.960 0.001 0.000 0.686 217 G C 0.231 175.180 174.900 0.082 0.000 1.256 217 G CA -0.135 45.002 45.100 0.062 0.000 0.826 217 G HN 0.073 nan 8.290 nan 0.000 0.619 218 T N 1.076 115.665 114.554 0.058 0.000 2.857 218 T HA 0.139 4.490 4.350 0.001 0.000 0.266 218 T C 2.908 177.633 174.700 0.043 0.000 1.048 218 T CA 2.553 64.678 62.100 0.042 0.000 1.139 218 T CB -0.443 68.440 68.868 0.026 0.000 0.874 218 T HN 1.626 nan 8.240 nan 0.000 0.455 219 A N 1.420 124.273 122.820 0.056 0.000 1.903 219 A HA -0.153 4.168 4.320 0.001 0.000 0.219 219 A C 2.002 179.626 177.584 0.067 0.000 1.191 219 A CA 1.766 53.835 52.037 0.054 0.000 0.638 219 A CB -1.091 17.947 19.000 0.062 0.000 0.823 219 A HN 0.493 nan 8.150 nan 0.000 0.451 220 F N -0.106 119.822 119.950 -0.037 0.000 2.146 220 F HA -0.107 4.421 4.527 0.001 0.000 0.298 220 F C 1.860 177.622 175.800 -0.063 0.000 1.096 220 F CA 1.633 59.604 58.000 -0.048 0.000 1.275 220 F CB -0.338 38.623 39.000 -0.066 0.000 1.008 220 F HN 0.199 nan 8.300 nan 0.000 0.480 221 L N 0.880 122.075 121.223 -0.046 0.000 2.079 221 L HA -0.208 4.133 4.340 0.001 0.000 0.210 221 L C 2.133 178.894 176.870 -0.182 0.000 1.081 221 L CA 1.940 56.685 54.840 -0.158 0.000 0.752 221 L CB -0.936 41.089 42.059 -0.055 0.000 0.896 221 L HN 0.257 nan 8.230 nan 0.000 0.433 222 E N -1.252 118.874 120.200 -0.123 0.000 2.106 222 E HA -0.191 4.160 4.350 0.001 0.000 0.192 222 E C 1.923 178.436 176.600 -0.145 0.000 0.984 222 E CA 0.995 57.333 56.400 -0.105 0.000 0.806 222 E CB -0.050 29.612 29.700 -0.062 0.000 0.750 222 E HN 0.559 nan 8.360 nan 0.000 0.458 223 Q N -0.155 119.529 119.800 -0.194 0.000 2.398 223 Q HA 0.160 4.500 4.340 0.001 0.000 0.204 223 Q C 0.446 176.283 176.000 -0.271 0.000 0.932 223 Q CA 0.158 55.843 55.803 -0.198 0.000 0.916 223 Q CB 0.225 28.882 28.738 -0.134 0.000 1.024 223 Q HN 0.086 nan 8.270 nan 0.000 0.504 224 A N 1.549 124.099 122.820 -0.449 0.000 2.548 224 A HA 0.201 4.522 4.320 0.001 0.000 0.247 224 A C -0.247 177.298 177.584 -0.065 0.000 1.067 224 A CA 0.255 52.033 52.037 -0.431 0.000 0.757 224 A CB -0.184 18.439 19.000 -0.629 0.000 0.996 224 A HN 0.310 nan 8.150 nan 0.000 0.504 225 L N 2.974 124.231 121.223 0.057 0.000 2.318 225 L HA 0.480 4.821 4.340 0.001 0.000 0.277 225 L C 0.764 177.726 176.870 0.154 0.000 1.008 225 L CA -0.519 54.374 54.840 0.089 0.000 0.846 225 L CB 1.286 43.356 42.059 0.018 0.000 1.220 225 L HN 0.848 nan 8.230 nan 0.000 0.423 226 A N 5.091 128.014 122.820 0.171 0.000 2.561 226 A HA 0.430 4.751 4.320 0.001 0.000 0.234 226 A C -0.149 177.371 177.584 -0.107 0.000 1.055 226 A CA 0.433 52.440 52.037 -0.051 0.000 0.756 226 A CB 0.027 19.023 19.000 -0.008 0.000 0.986 226 A HN 0.671 nan 8.150 nan 0.000 0.505 227 I N 1.099 121.545 120.570 -0.208 0.000 2.569 227 I HA 0.399 4.570 4.170 0.001 0.000 0.296 227 I C -0.246 175.824 176.117 -0.078 0.000 1.028 227 I CA -0.173 61.061 61.300 -0.111 0.000 1.082 227 I CB 2.107 40.048 38.000 -0.097 0.000 1.264 227 I HN 0.730 nan 8.210 nan 0.000 0.429 228 E N 5.982 126.197 120.200 0.025 0.000 2.768 228 E HA 0.172 4.523 4.350 0.001 0.000 0.290 228 E C -1.771 174.952 176.600 0.206 0.000 1.100 228 E CA -0.397 56.043 56.400 0.066 0.000 0.768 228 E CB 1.525 31.238 29.700 0.022 0.000 1.501 228 E HN 0.502 nan 8.360 nan 0.000 0.384 229 W N 3.439 124.709 121.300 -0.051 0.000 2.600 229 W HA 0.399 5.060 4.660 0.001 0.000 0.325 229 W C -1.057 175.549 176.519 0.146 0.000 1.034 229 W CA -0.348 56.963 57.345 -0.057 0.000 1.226 229 W CB 1.748 31.042 29.460 -0.276 0.000 1.379 229 W HN 0.401 nan 8.180 nan 0.000 0.466 230 Q N 3.709 123.415 119.800 -0.157 0.000 2.315 230 Q HA 0.218 4.559 4.340 0.001 0.000 0.273 230 Q C -1.254 174.740 176.000 -0.010 0.000 1.053 230 Q CA -0.614 55.223 55.803 0.058 0.000 0.817 230 Q CB 3.602 32.339 28.738 -0.001 0.000 1.326 230 Q HN 0.593 nan 8.270 nan 0.000 0.423 231 H N -0.094 118.990 119.070 0.024 0.000 3.218 231 H HA 0.544 5.101 4.556 0.001 0.000 0.303 231 H C 1.164 176.426 175.328 -0.109 0.000 1.605 231 H CA 0.516 56.535 56.048 -0.049 0.000 1.298 231 H CB 1.048 30.837 29.762 0.046 0.000 1.856 231 H HN 0.625 nan 8.280 nan 0.000 0.656 232 G N 0.220 108.616 108.800 -0.672 0.000 3.026 232 G HA2 -0.418 3.543 3.960 0.001 0.000 0.247 232 G HA3 -0.418 3.543 3.960 0.001 0.000 0.247 232 G C 0.811 175.602 174.900 -0.181 0.000 1.106 232 G CA 2.075 46.953 45.100 -0.370 0.000 0.754 232 G HN 0.718 nan 8.290 nan 0.000 0.899 233 D N -1.219 119.102 120.400 -0.132 0.000 2.500 233 D HA 0.199 4.840 4.640 0.001 0.000 0.217 233 D C 0.787 177.015 176.300 -0.121 0.000 1.159 233 D CA -0.377 53.567 54.000 -0.094 0.000 0.828 233 D CB 0.031 40.798 40.800 -0.056 0.000 1.039 233 D HN 0.240 nan 8.370 nan 0.000 0.512 234 L N 1.023 122.096 121.223 -0.250 0.000 2.367 234 L HA 0.359 4.700 4.340 0.001 0.000 0.275 234 L C -0.083 176.631 176.870 -0.261 0.000 1.129 234 L CA 0.280 54.822 54.840 -0.497 0.000 0.839 234 L CB 1.438 42.720 42.059 -1.295 0.000 1.133 234 L HN -0.050 nan 8.230 nan 0.000 0.453 235 T N 4.159 118.740 114.554 0.045 0.000 2.916 235 T HA 0.556 4.907 4.350 0.001 0.000 0.298 235 T C -1.099 173.878 174.700 0.461 0.000 1.031 235 T CA -0.456 61.835 62.100 0.318 0.000 0.993 235 T CB 2.125 71.085 68.868 0.152 0.000 1.045 235 T HN 0.235 nan 8.240 nan 0.000 0.454 236 L N 3.479 124.995 121.223 0.488 0.000 2.381 236 L HA 0.756 5.097 4.340 0.001 0.000 0.274 236 L C -0.620 176.364 176.870 0.189 0.000 0.988 236 L CA -0.218 54.821 54.840 0.333 0.000 0.824 236 L CB 1.276 43.465 42.059 0.217 0.000 1.263 236 L HN 0.609 nan 8.230 nan 0.000 0.410 237 R N 2.573 123.170 120.500 0.161 0.000 2.905 237 R HA 0.963 5.304 4.340 0.001 0.000 0.260 237 R C -0.466 175.884 176.300 0.084 0.000 1.086 237 R CA -0.619 55.502 56.100 0.034 0.000 0.978 237 R CB 1.898 32.169 30.300 -0.048 0.000 1.215 237 R HN 0.933 nan 8.270 nan 0.000 0.480 238 G N 0.057 108.718 108.800 -0.232 0.000 2.342 238 G HA2 -0.050 3.910 3.960 0.001 0.000 0.220 238 G HA3 -0.050 3.910 3.960 0.001 0.000 0.220 238 G C -1.814 172.753 174.900 -0.556 0.000 1.243 238 G CA -0.803 44.136 45.100 -0.268 0.000 1.083 238 G HN 0.382 nan 8.290 nan 0.000 0.500 239 W N -1.092 120.414 121.300 0.342 0.000 3.032 239 W HA 0.662 5.322 4.660 0.001 0.000 0.335 239 W C -0.818 175.884 176.519 0.306 0.000 1.154 239 W CA -0.715 56.790 57.345 0.267 0.000 1.204 239 W CB 1.995 31.632 29.460 0.296 0.000 1.416 239 W HN 0.763 nan 8.180 nan 0.000 0.521 240 V N 2.014 122.145 119.914 0.361 0.000 2.686 240 V HA 0.750 4.871 4.120 0.001 0.000 0.306 240 V C -0.374 175.803 176.094 0.138 0.000 1.065 240 V CA -0.491 61.982 62.300 0.288 0.000 0.894 240 V CB 1.363 33.269 31.823 0.138 0.000 1.004 240 V HN 0.629 nan 8.190 nan 0.000 0.424 241 A N 4.283 127.191 122.820 0.146 0.000 2.304 241 A HA 0.488 4.809 4.320 0.001 0.000 0.271 241 A C 0.058 177.672 177.584 0.050 0.000 1.091 241 A CA -0.369 51.678 52.037 0.017 0.000 0.812 241 A CB 0.440 19.470 19.000 0.051 0.000 1.056 241 A HN 0.895 nan 8.150 nan 0.000 0.489 242 D N 1.430 121.848 120.400 0.029 0.000 2.382 242 D HA 0.139 4.780 4.640 0.001 0.000 0.259 242 D C -1.585 174.772 176.300 0.094 0.000 1.224 242 D CA -1.367 52.674 54.000 0.067 0.000 0.894 242 D CB 1.055 41.914 40.800 0.099 0.000 1.127 242 D HN 0.099 nan 8.370 nan 0.000 0.487 243 P HA -0.130 nan 4.420 nan 0.000 0.216 243 P C 1.037 178.352 177.300 0.025 0.000 1.150 243 P CA 0.918 64.046 63.100 0.047 0.000 0.837 243 P CB 0.243 31.959 31.700 0.027 0.000 0.786 244 N N -1.511 117.205 118.700 0.027 0.000 2.381 244 N HA -0.151 4.590 4.740 0.001 0.000 0.182 244 N C 0.506 175.866 175.510 -0.251 0.000 1.025 244 N CA 1.122 54.124 53.050 -0.081 0.000 0.888 244 N CB -0.439 38.017 38.487 -0.051 0.000 0.965 244 N HN 0.214 nan 8.380 nan 0.000 0.438 245 H N -1.896 117.171 119.070 -0.005 0.000 2.467 245 H HA 0.366 4.923 4.556 0.001 0.000 0.275 245 H C -0.742 174.586 175.328 0.001 0.000 1.131 245 H CA -0.271 55.773 56.048 -0.006 0.000 0.989 245 H CB 0.437 30.190 29.762 -0.014 0.000 1.696 245 H HN -0.084 nan 8.280 nan 0.000 0.574 246 T N 1.176 115.769 114.554 0.065 0.000 2.794 246 T HA 0.367 4.718 4.350 0.001 0.000 0.280 246 T C 0.531 175.247 174.700 0.026 0.000 0.987 246 T CA -0.764 61.371 62.100 0.058 0.000 0.993 246 T CB 1.402 70.307 68.868 0.061 0.000 0.939 246 T HN 0.405 nan 8.240 nan 0.000 0.449 247 T N 1.071 115.641 114.554 0.027 0.000 2.936 247 T HA 0.449 4.799 4.350 0.001 0.000 0.282 247 T C -1.999 172.700 174.700 -0.001 0.000 1.003 247 T CA -2.170 59.936 62.100 0.009 0.000 1.005 247 T CB 1.195 70.070 68.868 0.012 0.000 1.097 247 T HN 0.080 nan 8.240 nan 0.000 0.532 248 P HA 0.007 nan 4.420 nan 0.000 0.217 248 P C 1.651 178.933 177.300 -0.030 0.000 1.150 248 P CA 1.410 64.498 63.100 -0.019 0.000 0.832 248 P CB -0.297 31.394 31.700 -0.016 0.000 0.787 249 A N -0.509 122.298 122.820 -0.021 0.000 1.908 249 A HA -0.176 4.145 4.320 0.001 0.000 0.218 249 A C 2.172 179.731 177.584 -0.042 0.000 1.181 249 A CA 1.499 53.519 52.037 -0.027 0.000 0.627 249 A CB -1.671 17.323 19.000 -0.010 0.000 0.818 249 A HN 0.127 nan 8.150 nan 0.000 0.445 250 L N -0.903 120.310 121.223 -0.017 0.000 2.201 250 L HA -0.120 4.221 4.340 0.001 0.000 0.212 250 L C 2.864 179.689 176.870 -0.075 0.000 1.105 250 L CA 0.723 55.560 54.840 -0.005 0.000 0.775 250 L CB -0.374 41.728 42.059 0.072 0.000 0.913 250 L HN 0.441 nan 8.230 nan 0.000 0.440 251 A N -0.394 122.381 122.820 -0.076 0.000 2.172 251 A HA -0.146 4.175 4.320 0.001 0.000 0.216 251 A C 1.994 179.457 177.584 -0.202 0.000 1.154 251 A CA 0.916 52.882 52.037 -0.117 0.000 0.701 251 A CB -0.326 18.636 19.000 -0.064 0.000 0.789 251 A HN 0.437 nan 8.150 nan 0.000 0.465 252 E N -0.495 119.589 120.200 -0.194 0.000 2.418 252 E HA 0.007 4.358 4.350 0.001 0.000 0.197 252 E C -0.276 176.078 176.600 -0.410 0.000 1.026 252 E CA 0.256 56.521 56.400 -0.225 0.000 0.862 252 E CB -0.064 29.546 29.700 -0.151 0.000 0.799 252 E HN 0.662 nan 8.360 nan 0.000 0.518 253 I N 2.114 122.357 120.570 -0.546 0.000 2.316 253 I HA 0.089 4.260 4.170 0.001 0.000 0.286 253 I C -0.315 175.115 176.117 -1.145 0.000 1.107 253 I CA 0.069 60.777 61.300 -0.987 0.000 1.219 253 I CB 0.398 37.869 38.000 -0.881 0.000 1.455 253 I HN -0.162 nan 8.210 nan 0.000 0.498 254 Q N 5.301 124.355 119.800 -1.242 0.000 2.965 254 Q HA 0.334 4.675 4.340 0.001 0.000 0.288 254 Q C -1.473 174.063 176.000 -0.774 0.000 0.974 254 Q CA -0.560 54.380 55.803 -1.438 0.000 0.849 254 Q CB 1.040 29.274 28.738 -0.841 0.000 1.280 254 Q HN 0.418 nan 8.270 nan 0.000 0.441 255 Y N 0.423 120.452 120.300 -0.452 0.000 2.342 255 Y HA 0.528 5.079 4.550 0.002 0.000 0.334 255 Y C 0.519 176.457 175.900 0.063 0.000 1.067 255 Y CA -1.917 56.083 58.100 -0.167 0.000 1.128 255 Y CB 1.093 39.480 38.460 -0.121 0.000 1.200 255 Y HN 0.446 nan 8.280 nan 0.000 0.464 256 C N 1.173 120.470 119.300 -0.006 0.000 2.888 256 C HA 0.875 5.336 4.460 0.001 0.000 0.308 256 C C -1.558 173.209 174.990 -0.373 0.000 1.213 256 C CA -1.436 57.581 59.018 -0.002 0.000 1.461 256 C CB 0.321 28.142 27.740 0.134 0.000 1.934 256 C HN 0.706 nan 8.230 nan 0.000 0.474 257 Y N 0.495 120.808 120.300 0.021 0.000 2.477 257 Y HA 0.667 5.218 4.550 0.001 0.000 0.347 257 Y C -0.211 175.790 175.900 0.168 0.000 0.981 257 Y CA -1.099 57.052 58.100 0.085 0.000 1.033 257 Y CB 2.098 40.617 38.460 0.098 0.000 1.245 257 Y HN 0.610 nan 8.280 nan 0.000 0.455 258 V N 3.658 123.750 119.914 0.298 0.000 2.313 258 V HA 0.255 4.376 4.120 0.001 0.000 0.278 258 V C -0.472 175.772 176.094 0.250 0.000 1.017 258 V CA -1.114 61.353 62.300 0.278 0.000 0.823 258 V CB 0.640 32.600 31.823 0.229 0.000 1.010 258 V HN 0.932 nan 8.190 nan 0.000 0.443 259 N N 4.199 123.049 118.700 0.250 0.000 2.740 259 N HA -0.202 4.539 4.740 0.001 0.000 0.248 259 N C 1.176 176.811 175.510 0.207 0.000 1.062 259 N CA 1.505 54.673 53.050 0.196 0.000 0.704 259 N CB -1.158 37.415 38.487 0.143 0.000 0.968 259 N HN 1.455 nan 8.380 nan 0.000 0.547 260 G N -0.624 108.347 108.800 0.285 0.000 2.162 260 G HA2 -0.379 3.582 3.960 0.001 0.000 0.260 260 G HA3 -0.379 3.582 3.960 0.001 0.000 0.260 260 G C 0.018 175.112 174.900 0.323 0.000 0.976 260 G CA 0.578 45.843 45.100 0.277 0.000 0.655 260 G HN 0.752 nan 8.290 nan 0.000 0.533 261 R N 0.915 121.615 120.500 0.333 0.000 2.265 261 R HA 0.577 4.918 4.340 0.001 0.000 0.328 261 R C 1.399 177.848 176.300 0.248 0.000 0.969 261 R CA -0.860 55.405 56.100 0.275 0.000 0.832 261 R CB 0.140 30.553 30.300 0.188 0.000 1.139 261 R HN 0.471 nan 8.270 nan 0.000 0.457 262 M N 4.016 123.740 119.600 0.208 0.000 2.408 262 M HA 0.110 4.591 4.480 0.001 0.000 0.363 262 M C -0.901 175.319 176.300 -0.132 0.000 1.636 262 M CA 0.640 55.825 55.300 -0.192 0.000 1.029 262 M CB 0.354 32.869 32.600 -0.141 0.000 2.068 262 M HN 0.573 nan 8.290 nan 0.000 0.466 263 M N 3.491 122.974 119.600 -0.195 0.000 2.690 263 M HA 0.554 5.035 4.480 0.001 0.000 0.302 263 M C -1.118 175.135 176.300 -0.079 0.000 1.234 263 M CA -0.538 54.720 55.300 -0.071 0.000 0.853 263 M CB 2.574 35.178 32.600 0.008 0.000 1.748 263 M HN 0.789 nan 8.290 nan 0.000 0.469 264 R N 1.799 122.278 120.500 -0.035 0.000 2.629 264 R HA 0.306 4.646 4.340 0.001 0.000 0.275 264 R C -1.781 174.531 176.300 0.020 0.000 1.719 264 R CA -0.332 55.760 56.100 -0.013 0.000 1.472 264 R CB 0.344 30.610 30.300 -0.057 0.000 1.237 264 R HN 0.797 nan 8.270 nan 0.000 0.589 265 D N 0.599 121.038 120.400 0.065 0.000 2.177 265 D HA 0.171 4.812 4.640 0.001 0.000 0.247 265 D C 0.951 177.316 176.300 0.108 0.000 1.063 265 D CA -0.442 53.615 54.000 0.095 0.000 0.867 265 D CB 1.260 42.162 40.800 0.169 0.000 1.168 265 D HN 0.293 nan 8.370 nan 0.000 0.445 266 R N 2.462 123.021 120.500 0.098 0.000 2.115 266 R HA -0.041 4.299 4.340 0.001 0.000 0.226 266 R C 1.763 178.151 176.300 0.147 0.000 1.100 266 R CA 0.418 56.582 56.100 0.107 0.000 0.980 266 R CB -0.320 30.026 30.300 0.077 0.000 0.875 266 R HN 0.454 nan 8.270 nan 0.000 0.445 267 L N 1.369 122.689 121.223 0.162 0.000 2.046 267 L HA -0.115 4.226 4.340 0.001 0.000 0.208 267 L C 2.014 178.996 176.870 0.187 0.000 1.077 267 L CA 1.597 56.559 54.840 0.203 0.000 0.747 267 L CB -0.210 41.996 42.059 0.246 0.000 0.896 267 L HN 0.081 nan 8.230 nan 0.000 0.432 268 I N -0.630 120.030 120.570 0.149 0.000 2.202 268 I HA -0.279 3.892 4.170 0.001 0.000 0.242 268 I C 2.353 178.454 176.117 -0.026 0.000 1.091 268 I CA 1.363 62.691 61.300 0.047 0.000 1.368 268 I CB -0.594 37.455 38.000 0.080 0.000 1.058 268 I HN 0.397 nan 8.210 nan 0.000 0.410 269 N N 0.327 119.052 118.700 0.041 0.000 2.120 269 N HA -0.267 4.474 4.740 0.001 0.000 0.188 269 N C 2.032 177.564 175.510 0.037 0.000 1.024 269 N CA 1.475 54.545 53.050 0.032 0.000 0.852 269 N CB -0.331 38.232 38.487 0.127 0.000 1.003 269 N HN 0.434 nan 8.380 nan 0.000 0.424 270 H N 0.904 119.986 119.070 0.020 0.000 2.319 270 H HA -0.059 4.497 4.556 0.001 0.000 0.299 270 H C 1.732 177.058 175.328 -0.003 0.000 1.092 270 H CA 1.859 57.936 56.048 0.048 0.000 1.302 270 H CB -0.196 29.636 29.762 0.117 0.000 1.373 270 H HN 0.249 nan 8.280 nan 0.000 0.497 271 A N 1.369 124.222 122.820 0.055 0.000 1.908 271 A HA -0.131 4.190 4.320 0.001 0.000 0.218 271 A C 2.860 180.356 177.584 -0.147 0.000 1.181 271 A CA 1.700 53.532 52.037 -0.342 0.000 0.627 271 A CB -0.888 17.691 19.000 -0.701 0.000 0.818 271 A HN 0.487 nan 8.150 nan 0.000 0.445 272 I N -1.066 119.389 120.570 -0.191 0.000 2.286 272 I HA -0.256 3.915 4.170 0.001 0.000 0.248 272 I C 2.740 178.779 176.117 -0.130 0.000 1.115 272 I CA 1.298 62.459 61.300 -0.232 0.000 1.392 272 I CB -0.346 37.380 38.000 -0.457 0.000 1.065 272 I HN 0.297 nan 8.210 nan 0.000 0.418 273 R N 0.321 120.755 120.500 -0.110 0.000 2.093 273 R HA -0.147 4.194 4.340 0.001 0.000 0.224 273 R C 2.252 178.504 176.300 -0.080 0.000 1.101 273 R CA 0.896 56.945 56.100 -0.085 0.000 0.979 273 R CB -0.343 29.896 30.300 -0.101 0.000 0.877 273 R HN 0.409 nan 8.270 nan 0.000 0.441 274 Q N 0.574 120.302 119.800 -0.120 0.000 2.291 274 Q HA -0.117 4.224 4.340 0.001 0.000 0.206 274 Q C 1.686 177.861 176.000 0.291 0.000 0.976 274 Q CA 1.375 57.161 55.803 -0.028 0.000 0.875 274 Q CB 0.098 28.727 28.738 -0.181 0.000 0.927 274 Q HN 0.365 nan 8.270 nan 0.000 0.450 275 A N -0.679 122.283 122.820 0.236 0.000 1.903 275 A HA -0.075 4.246 4.320 0.001 0.000 0.213 275 A C 2.134 179.690 177.584 -0.046 0.000 1.185 275 A CA 0.812 52.856 52.037 0.012 0.000 0.628 275 A CB -0.564 18.278 19.000 -0.262 0.000 0.830 275 A HN 0.569 nan 8.150 nan 0.000 0.446 276 C N -0.571 118.709 119.300 -0.033 0.000 2.446 276 C HA 0.019 4.480 4.460 0.001 0.000 0.279 276 C C 2.531 177.516 174.990 -0.009 0.000 1.366 276 C CA 1.007 60.010 59.018 -0.025 0.000 1.763 276 C CB -0.896 26.842 27.740 -0.004 0.000 1.929 276 C HN 0.773 nan 8.230 nan 0.000 0.509 277 E N 1.452 121.652 120.200 0.000 0.000 2.016 277 E HA -0.190 4.161 4.350 0.001 0.000 0.190 277 E C 1.297 177.904 176.600 0.012 0.000 0.985 277 E CA 1.413 57.813 56.400 0.001 0.000 0.802 277 E CB -0.120 29.574 29.700 -0.010 0.000 0.762 277 E HN 0.482 nan 8.360 nan 0.000 0.448 278 D N 0.400 120.823 120.400 0.038 0.000 2.228 278 D HA -0.174 4.467 4.640 0.001 0.000 0.203 278 D C 1.679 177.986 176.300 0.012 0.000 0.988 278 D CA 0.938 54.966 54.000 0.046 0.000 0.864 278 D CB 0.068 40.940 40.800 0.120 0.000 0.928 278 D HN 0.021 nan 8.370 nan 0.000 0.469 279 K N 0.442 120.836 120.400 -0.010 0.000 2.057 279 K HA 0.016 4.337 4.320 0.001 0.000 0.209 279 K C 2.035 178.626 176.600 -0.014 0.000 1.028 279 K CA 0.175 56.447 56.287 -0.025 0.000 0.950 279 K CB -0.840 31.632 32.500 -0.048 0.000 0.784 279 K HN 0.124 nan 8.250 nan 0.000 0.448 280 L N 0.782 121.998 121.223 -0.012 0.000 2.051 280 L HA -0.093 4.248 4.340 0.001 0.000 0.214 280 L C 0.908 177.773 176.870 -0.008 0.000 1.076 280 L CA 2.439 57.274 54.840 -0.009 0.000 0.758 280 L CB -0.833 41.221 42.059 -0.008 0.000 0.890 280 L HN 0.681 nan 8.230 nan 0.000 0.433 285 Q N 1.991 121.802 119.800 0.019 0.000 2.262 285 Q HA 0.190 4.530 4.340 0.001 0.000 0.298 285 Q C -2.026 174.007 176.000 0.056 0.000 1.083 285 Q CA -0.529 55.294 55.803 0.035 0.000 0.962 285 Q CB 0.232 28.977 28.738 0.013 0.000 1.104 285 Q HN 0.376 nan 8.270 nan 0.000 0.376 286 P HA 0.289 nan 4.420 nan 0.000 0.281 286 P C -1.345 176.057 177.300 0.171 0.000 1.249 286 P CA -0.471 62.735 63.100 0.176 0.000 0.810 286 P CB 1.136 32.980 31.700 0.239 0.000 1.008 287 A N 3.047 125.968 122.820 0.168 0.000 2.317 287 A HA 0.840 5.161 4.320 0.001 0.000 0.327 287 A C -0.674 177.085 177.584 0.293 0.000 1.178 287 A CA -0.417 51.653 52.037 0.054 0.000 0.817 287 A CB 0.084 19.190 19.000 0.178 0.000 1.189 287 A HN 0.586 nan 8.150 nan 0.000 0.489 288 F N -0.563 119.484 119.950 0.162 0.000 2.807 288 F HA 0.672 5.200 4.527 0.001 0.000 0.316 288 F C -1.496 174.398 175.800 0.158 0.000 1.162 288 F CA -1.335 56.828 58.000 0.271 0.000 0.910 288 F CB 1.188 40.283 39.000 0.158 0.000 1.314 288 F HN 0.284 nan 8.300 nan 0.000 0.454 289 V N 2.926 123.236 119.914 0.660 0.000 2.595 289 V HA 0.422 4.543 4.120 0.001 0.000 0.269 289 V C -0.843 175.546 176.094 0.491 0.000 0.982 289 V CA -0.389 62.246 62.300 0.558 0.000 0.873 289 V CB 1.194 33.428 31.823 0.684 0.000 1.051 289 V HN 0.742 nan 8.190 nan 0.000 0.466 290 L N 4.248 125.678 121.223 0.344 0.000 2.334 290 L HA 0.673 5.014 4.340 0.001 0.000 0.276 290 L C -1.214 175.679 176.870 0.037 0.000 1.014 290 L CA -0.787 54.164 54.840 0.184 0.000 0.815 290 L CB 2.101 44.219 42.059 0.099 0.000 1.268 290 L HN 0.463 nan 8.230 nan 0.000 0.428 291 Y N 2.843 123.300 120.300 0.262 0.000 2.331 291 Y HA 0.459 5.010 4.550 0.001 0.000 0.334 291 Y C -0.415 175.613 175.900 0.213 0.000 0.960 291 Y CA -0.681 57.578 58.100 0.266 0.000 1.130 291 Y CB 1.859 40.412 38.460 0.155 0.000 1.164 291 Y HN 0.301 nan 8.280 nan 0.000 0.458 292 L N 4.359 125.794 121.223 0.353 0.000 2.272 292 L HA 0.562 4.903 4.340 0.001 0.000 0.289 292 L C -0.732 176.295 176.870 0.262 0.000 1.032 292 L CA -0.462 54.554 54.840 0.293 0.000 0.810 292 L CB 0.820 43.037 42.059 0.263 0.000 1.205 292 L HN 0.465 nan 8.230 nan 0.000 0.422 293 E N 6.387 126.712 120.200 0.210 0.000 2.145 293 E HA 0.500 4.851 4.350 0.001 0.000 0.270 293 E C -1.067 175.590 176.600 0.096 0.000 0.906 293 E CA -0.132 56.358 56.400 0.149 0.000 0.761 293 E CB 2.345 32.115 29.700 0.116 0.000 1.116 293 E HN 0.727 nan 8.360 nan 0.000 0.408 294 I N 1.061 121.691 120.570 0.101 0.000 3.006 294 I HA 0.207 4.378 4.170 0.001 0.000 0.306 294 I C -1.171 174.990 176.117 0.075 0.000 1.250 294 I CA -0.966 60.377 61.300 0.073 0.000 0.996 294 I CB 2.477 40.549 38.000 0.119 0.000 1.261 294 I HN 0.268 nan 8.210 nan 0.000 0.442 295 D N 6.948 127.385 120.400 0.062 0.000 2.417 295 D HA 0.151 4.792 4.640 0.001 0.000 0.250 295 D C -1.582 174.757 176.300 0.064 0.000 1.166 295 D CA -1.496 52.540 54.000 0.060 0.000 0.881 295 D CB 1.192 42.040 40.800 0.079 0.000 1.164 295 D HN 0.237 nan 8.370 nan 0.000 0.467 296 P HA -0.215 nan 4.420 nan 0.000 0.220 296 P C 0.766 178.035 177.300 -0.052 0.000 1.144 296 P CA 1.196 64.262 63.100 -0.056 0.000 0.800 296 P CB 0.064 31.676 31.700 -0.147 0.000 0.772 297 H N -0.314 118.781 119.070 0.040 0.000 2.462 297 H HA 0.028 4.585 4.556 0.001 0.000 0.292 297 H C 1.862 177.244 175.328 0.089 0.000 1.049 297 H CA 0.989 57.055 56.048 0.029 0.000 1.334 297 H CB -0.088 29.659 29.762 -0.024 0.000 1.404 297 H HN 0.217 nan 8.280 nan 0.000 0.544 298 Q N 0.451 120.396 119.800 0.242 0.000 2.444 298 Q HA 0.082 4.423 4.340 0.001 0.000 0.206 298 Q C 0.427 176.682 176.000 0.425 0.000 0.948 298 Q CA 0.037 56.027 55.803 0.311 0.000 0.946 298 Q CB 0.634 29.497 28.738 0.208 0.000 1.027 298 Q HN 0.139 nan 8.270 nan 0.000 0.513 299 V N 0.523 120.604 119.914 0.279 0.000 2.962 299 V HA 0.409 4.530 4.120 0.001 0.000 0.313 299 V C -1.754 174.329 176.094 -0.020 0.000 1.099 299 V CA -0.923 61.428 62.300 0.084 0.000 0.971 299 V CB 2.532 34.377 31.823 0.037 0.000 1.028 299 V HN -0.076 nan 8.190 nan 0.000 0.430 300 D N 3.208 123.512 120.400 -0.160 0.000 2.440 300 D HA 0.365 5.006 4.640 0.001 0.000 0.239 300 D C 0.292 176.510 176.300 -0.136 0.000 1.084 300 D CA -0.011 53.905 54.000 -0.140 0.000 0.843 300 D CB 1.899 42.593 40.800 -0.176 0.000 1.097 300 D HN 0.511 nan 8.370 nan 0.000 0.531 301 V N 1.753 121.602 119.914 -0.108 0.000 3.376 301 V HA 0.337 4.458 4.120 0.001 0.000 0.313 301 V C 0.408 176.557 176.094 0.091 0.000 1.393 301 V CA -0.350 61.935 62.300 -0.024 0.000 1.125 301 V CB -0.663 31.167 31.823 0.011 0.000 1.037 301 V HN 0.573 nan 8.190 nan 0.000 0.440 302 N N 0.354 119.068 118.700 0.024 0.000 3.170 302 N HA 0.330 5.071 4.740 0.001 0.000 0.305 302 N C 0.351 175.914 175.510 0.088 0.000 1.499 302 N CA -0.049 53.082 53.050 0.135 0.000 1.110 302 N CB 1.113 39.619 38.487 0.032 0.000 1.390 302 N HN 0.324 nan 8.380 nan 0.000 0.508 303 V N -0.105 119.867 119.914 0.097 0.000 3.359 303 V HA 0.158 4.279 4.120 0.001 0.000 0.245 303 V C -0.117 176.047 176.094 0.117 0.000 1.247 303 V CA 0.245 62.588 62.300 0.072 0.000 1.145 303 V CB 0.075 31.922 31.823 0.041 0.000 0.906 303 V HN 0.458 nan 8.190 nan 0.000 0.464 304 H N 1.399 120.477 119.070 0.013 0.000 2.679 304 H HA 0.417 4.974 4.556 0.002 0.000 0.360 304 H C -2.066 173.222 175.328 -0.068 0.000 1.105 304 H CA -1.646 54.381 56.048 -0.036 0.000 1.196 304 H CB 2.847 32.580 29.762 -0.049 0.000 1.636 304 H HN -0.164 nan 8.280 nan 0.000 0.531 305 P HA -0.118 nan 4.420 nan 0.000 0.221 305 P C 0.461 177.562 177.300 -0.331 0.000 1.145 305 P CA 1.426 64.305 63.100 -0.369 0.000 0.795 305 P CB 0.289 31.766 31.700 -0.372 0.000 0.775 306 A N -0.631 121.968 122.820 -0.369 0.000 2.348 306 A HA 0.221 4.542 4.320 0.001 0.000 0.224 306 A C 0.808 178.372 177.584 -0.033 0.000 1.227 306 A CA 0.037 51.938 52.037 -0.226 0.000 0.885 306 A CB -0.464 18.220 19.000 -0.526 0.000 0.933 306 A HN 0.016 nan 8.150 nan 0.000 0.506 307 K N -0.794 119.651 120.400 0.075 0.000 3.192 307 K HA -0.233 4.088 4.320 0.001 0.000 0.278 307 K C 0.277 177.009 176.600 0.219 0.000 1.164 307 K CA 1.160 57.542 56.287 0.157 0.000 0.816 307 K CB -2.595 29.983 32.500 0.130 0.000 1.256 307 K HN 0.836 nan 8.250 nan 0.000 0.497 308 H N -0.181 118.951 119.070 0.102 0.000 2.470 308 H HA 0.013 4.570 4.556 0.001 0.000 0.289 308 H C 0.429 175.703 175.328 -0.089 0.000 1.033 308 H CA 0.651 56.649 56.048 -0.083 0.000 1.331 308 H CB 0.377 29.921 29.762 -0.364 0.000 1.414 308 H HN 0.419 nan 8.280 nan 0.000 0.545 309 E N 0.503 120.749 120.200 0.076 0.000 2.378 309 E HA 0.512 4.863 4.350 0.001 0.000 0.265 309 E C -1.073 175.521 176.600 -0.009 0.000 0.932 309 E CA -1.002 55.407 56.400 0.015 0.000 0.795 309 E CB 3.210 32.909 29.700 -0.002 0.000 1.296 309 E HN -0.004 nan 8.360 nan 0.000 0.438 310 V N -2.154 117.703 119.914 -0.096 0.000 3.178 310 V HA 0.709 4.830 4.120 0.001 0.000 0.302 310 V C -1.428 174.473 176.094 -0.322 0.000 1.262 310 V CA -1.320 60.849 62.300 -0.218 0.000 1.030 310 V CB 1.930 33.552 31.823 -0.334 0.000 1.074 310 V HN 0.858 nan 8.190 nan 0.000 0.438 311 R N 1.215 121.486 120.500 -0.383 0.000 2.575 311 R HA 0.745 5.086 4.340 0.001 0.000 0.293 311 R C -2.002 174.055 176.300 -0.405 0.000 0.983 311 R CA -0.530 55.376 56.100 -0.323 0.000 0.887 311 R CB 1.826 32.023 30.300 -0.172 0.000 1.184 311 R HN 0.560 nan 8.270 nan 0.000 0.445 312 F N 2.224 122.157 119.950 -0.027 0.000 2.404 312 F HA 0.310 4.838 4.527 0.001 0.000 0.345 312 F C 1.867 177.658 175.800 -0.016 0.000 1.110 312 F CA -0.568 57.433 58.000 0.002 0.000 1.130 312 F CB 0.952 39.984 39.000 0.052 0.000 1.129 312 F HN 0.566 nan 8.300 nan 0.000 0.500 313 H N 1.377 120.570 119.070 0.204 0.000 2.352 313 H HA -0.091 4.466 4.556 0.001 0.000 0.299 313 H C 0.226 175.624 175.328 0.117 0.000 1.097 313 H CA 1.535 57.657 56.048 0.123 0.000 1.311 313 H CB 0.379 30.199 29.762 0.096 0.000 1.377 313 H HN 0.565 nan 8.280 nan 0.000 0.504 314 Q N 0.787 120.742 119.800 0.258 0.000 2.842 314 Q HA 0.145 4.486 4.340 0.001 0.000 0.323 314 Q C 1.096 177.171 176.000 0.124 0.000 1.111 314 Q CA -0.250 55.644 55.803 0.152 0.000 1.047 314 Q CB 1.430 30.233 28.738 0.108 0.000 1.280 314 Q HN 0.112 nan 8.270 nan 0.000 0.475 315 S N 1.983 117.768 115.700 0.143 0.000 2.380 315 S HA -0.261 4.210 4.470 0.001 0.000 0.229 315 S C 1.717 176.359 174.600 0.070 0.000 1.050 315 S CA 1.743 60.021 58.200 0.130 0.000 1.100 315 S CB 0.170 63.435 63.200 0.108 0.000 0.984 315 S HN 0.578 nan 8.310 nan 0.000 0.434 316 R N 0.032 120.554 120.500 0.038 0.000 2.120 316 R HA -0.049 4.292 4.340 0.001 0.000 0.234 316 R C 2.344 178.681 176.300 0.062 0.000 1.123 316 R CA 1.360 57.469 56.100 0.015 0.000 0.975 316 R CB -0.483 29.806 30.300 -0.018 0.000 0.866 316 R HN 0.408 nan 8.270 nan 0.000 0.446 317 L N 0.488 121.742 121.223 0.053 0.000 2.027 317 L HA -0.126 4.215 4.340 0.001 0.000 0.206 317 L C 1.996 178.907 176.870 0.068 0.000 1.074 317 L CA 1.580 56.452 54.840 0.053 0.000 0.745 317 L CB -0.228 41.850 42.059 0.032 0.000 0.898 317 L HN -0.113 nan 8.230 nan 0.000 0.433 318 V N -0.153 119.761 119.914 -0.001 0.000 2.358 318 V HA -0.297 3.824 4.120 0.001 0.000 0.246 318 V C 2.637 178.754 176.094 0.039 0.000 1.047 318 V CA 1.899 64.150 62.300 -0.081 0.000 1.035 318 V CB -1.174 30.355 31.823 -0.490 0.000 0.658 318 V HN 0.668 nan 8.190 nan 0.000 0.452 319 H N 0.783 119.827 119.070 -0.043 0.000 2.290 319 H HA -0.239 4.318 4.556 0.001 0.000 0.298 319 H C 2.298 177.672 175.328 0.076 0.000 1.087 319 H CA 2.308 58.361 56.048 0.008 0.000 1.291 319 H CB -0.467 29.292 29.762 -0.005 0.000 1.369 319 H HN 0.533 nan 8.280 nan 0.000 0.492 320 D N -0.393 120.210 120.400 0.338 0.000 2.178 320 D HA -0.183 4.458 4.640 0.001 0.000 0.201 320 D C 2.190 178.624 176.300 0.223 0.000 0.980 320 D CA 0.739 54.916 54.000 0.295 0.000 0.842 320 D CB -0.472 40.462 40.800 0.223 0.000 0.948 320 D HN 0.350 nan 8.370 nan 0.000 0.472 321 F N 1.432 121.421 119.950 0.065 0.000 2.113 321 F HA -0.066 4.461 4.527 0.001 0.000 0.297 321 F C 2.224 178.057 175.800 0.056 0.000 1.103 321 F CA 1.145 59.211 58.000 0.111 0.000 1.248 321 F CB -0.333 38.710 39.000 0.072 0.000 0.999 321 F HN -0.096 nan 8.300 nan 0.000 0.475 322 I N -1.106 119.412 120.570 -0.087 0.000 2.353 322 I HA -0.264 3.907 4.170 0.001 0.000 0.248 322 I C 2.222 178.123 176.117 -0.361 0.000 1.119 322 I CA 1.134 62.266 61.300 -0.279 0.000 1.417 322 I CB -0.734 37.173 38.000 -0.155 0.000 1.078 322 I HN 0.207 nan 8.210 nan 0.000 0.421 323 Y N 2.273 122.352 120.300 -0.369 0.000 2.070 323 Y HA -0.326 4.225 4.550 0.001 0.000 0.280 323 Y C 2.722 178.392 175.900 -0.383 0.000 1.148 323 Y CA 1.727 59.626 58.100 -0.336 0.000 1.125 323 Y CB -0.401 37.931 38.460 -0.213 0.000 0.975 323 Y HN 0.130 nan 8.280 nan 0.000 0.492 324 Q N 0.066 119.599 119.800 -0.444 0.000 2.096 324 Q HA -0.132 4.209 4.340 0.001 0.000 0.204 324 Q C 2.582 177.822 176.000 -1.267 0.000 0.982 324 Q CA 1.460 56.881 55.803 -0.637 0.000 0.850 324 Q CB -1.368 27.272 28.738 -0.162 0.000 0.901 324 Q HN 0.665 nan 8.270 nan 0.000 0.422 325 G N 0.525 108.330 108.800 -1.658 0.000 2.459 325 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 325 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 325 G C 1.655 175.893 174.900 -1.104 0.000 1.183 325 G CA 1.330 45.148 45.100 -2.137 0.000 0.776 325 G HN 0.283 nan 8.290 nan 0.000 0.552 326 V N 0.689 120.155 119.914 -0.747 0.000 2.244 326 V HA -0.106 4.014 4.120 0.001 0.000 0.244 326 V C 2.679 178.476 176.094 -0.495 0.000 1.042 326 V CA 1.571 63.574 62.300 -0.494 0.000 1.006 326 V CB -0.661 30.932 31.823 -0.383 0.000 0.641 326 V HN 0.320 nan 8.190 nan 0.000 0.446 327 L N 0.368 121.219 121.223 -0.619 0.000 2.051 327 L HA -0.225 4.116 4.340 0.001 0.000 0.214 327 L C 2.652 179.255 176.870 -0.445 0.000 1.076 327 L CA 2.478 56.977 54.840 -0.568 0.000 0.758 327 L CB -0.800 40.750 42.059 -0.848 0.000 0.890 327 L HN 0.379 nan 8.230 nan 0.000 0.433 328 S N -1.689 113.676 115.700 -0.558 0.000 2.356 328 S HA -0.153 4.318 4.470 0.001 0.000 0.223 328 S C 1.958 176.401 174.600 -0.262 0.000 1.032 328 S CA 1.485 59.437 58.200 -0.414 0.000 1.005 328 S CB -0.369 62.458 63.200 -0.622 0.000 0.867 328 S HN 0.311 nan 8.310 nan 0.000 0.449 329 V N 2.102 121.844 119.914 -0.286 0.000 2.407 329 V HA -0.084 4.037 4.120 0.001 0.000 0.248 329 V C 2.185 178.204 176.094 -0.124 0.000 1.055 329 V CA 1.499 63.700 62.300 -0.165 0.000 1.049 329 V CB -0.677 31.053 31.823 -0.155 0.000 0.662 329 V HN 0.496 nan 8.190 nan 0.000 0.455 330 L N -0.558 120.575 121.223 -0.150 0.000 2.633 330 L HA -0.025 4.316 4.340 0.001 0.000 0.235 330 L C 1.148 177.966 176.870 -0.086 0.000 1.163 330 L CA 0.765 55.542 54.840 -0.104 0.000 0.859 330 L CB -0.265 41.724 42.059 -0.116 0.000 0.973 330 L HN 0.484 nan 8.230 nan 0.000 0.451 331 Q N 0.000 119.742 119.800 -0.096 0.000 2.315 331 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 331 Q CA 0.000 55.761 55.803 -0.069 0.000 1.022 331 Q CB 0.000 28.691 28.738 -0.079 0.000 1.108 331 Q HN 0.000 nan 8.270 nan 0.000 0.481