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 1r76_1_A DATA FIRST_RESID 25 DATA SEQUENCE AVIGMNEAAS ALTPSRVSSL PDTQRAAWQE YLARSEAQLS RDKASLAAEL DATA SEQUENCE APGQPLPPPP AEGKGADTMP LDKPAAWYTS KAARHVADVI VSFQTPAGGW DATA SEQUENCE GKNQPRDGAL RLPGQHYTGE NVAKVKXXXX XXXXXRDRDW HYVGTIDNDA DATA SEQUENCE TVTEIRFLAQ VVSQLAPEEA APYRDAALKG IEYLLASQFP NGGWPQVWPL DATA SEQUENCE EGGYHDAITY NDDALVHVAE LLSDIAAGRD GFGFVPPAIR TRALEATNAA DATA SEQUENCE IHCIVETQVV QDGKRLGWGQ QHDALTLRPT SARNFEPAAL SSTESARILL DATA SEQUENCE FLMEIEAPSD AVKQAIRGGV AWLNTSVIRD XXXXXXXXXX XXXXXQGAKP DATA SEQUENCE LWSRFYSLDG NKPVFGDRDK TIHDDVMGIS QERRTGYAWY TTSPQKALSA DATA SEQUENCE FTKWEKRS 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.669 177.584 0.142 0.000 1.274 25 A CA 0.000 52.063 52.037 0.044 0.000 0.836 25 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 26 V N 2.317 122.318 119.914 0.145 0.000 2.558 26 V HA 0.263 4.384 4.120 0.001 0.000 0.261 26 V C 1.265 177.402 176.094 0.072 0.000 0.958 26 V CA -0.374 62.040 62.300 0.190 0.000 0.852 26 V CB 0.269 32.195 31.823 0.172 0.000 1.067 26 V HN 0.493 nan 8.190 nan 0.000 0.468 27 I N 1.763 122.366 120.570 0.054 0.000 2.043 27 I HA -0.111 4.059 4.170 0.001 0.000 0.231 27 I C 1.549 177.662 176.117 -0.006 0.000 1.024 27 I CA 2.498 63.811 61.300 0.023 0.000 1.309 27 I CB -0.106 37.906 38.000 0.019 0.000 1.030 27 I HN 0.667 nan 8.210 nan 0.000 0.389 28 G N -1.021 107.755 108.800 -0.040 0.000 2.976 28 G HA2 0.646 4.607 3.960 0.001 0.000 0.276 28 G HA3 0.646 4.607 3.960 0.001 0.000 0.276 28 G C -1.079 173.772 174.900 -0.082 0.000 1.207 28 G CA -0.661 44.410 45.100 -0.048 0.000 0.803 28 G HN -0.016 nan 8.290 nan 0.000 0.572 29 M N 0.730 120.287 119.600 -0.072 0.000 2.535 29 M HA 0.321 4.802 4.480 0.001 0.000 0.314 29 M C -0.752 175.498 176.300 -0.082 0.000 1.153 29 M CA -0.607 54.644 55.300 -0.082 0.000 0.924 29 M CB 2.461 35.027 32.600 -0.058 0.000 1.710 29 M HN 0.594 nan 8.290 nan 0.000 0.451 30 N N 1.767 120.413 118.700 -0.090 0.000 2.422 30 N HA 0.126 4.867 4.740 0.001 0.000 0.264 30 N C -1.134 174.328 175.510 -0.081 0.000 1.063 30 N CA -0.322 52.670 53.050 -0.097 0.000 0.959 30 N CB 1.010 39.430 38.487 -0.112 0.000 1.087 30 N HN 0.490 nan 8.380 nan 0.000 0.483 31 E N 1.580 121.732 120.200 -0.080 0.000 2.248 31 E HA 0.321 4.672 4.350 0.001 0.000 0.272 31 E C -0.287 176.271 176.600 -0.070 0.000 1.008 31 E CA -0.711 55.651 56.400 -0.064 0.000 0.856 31 E CB 1.500 31.167 29.700 -0.056 0.000 1.120 31 E HN 0.619 nan 8.360 nan 0.000 0.397 32 A N 1.121 123.911 122.820 -0.050 0.000 2.366 32 A HA 0.512 4.832 4.320 0.001 0.000 0.249 32 A C 0.306 177.871 177.584 -0.032 0.000 1.084 32 A CA 0.155 52.167 52.037 -0.041 0.000 0.794 32 A CB 0.239 19.231 19.000 -0.013 0.000 1.034 32 A HN 0.661 nan 8.150 nan 0.000 0.491 33 A N 0.699 123.514 122.820 -0.009 0.000 2.296 33 A HA 0.578 4.899 4.320 0.001 0.000 0.264 33 A C 0.479 178.070 177.584 0.011 0.000 1.097 33 A CA -0.096 51.946 52.037 0.008 0.000 0.811 33 A CB 0.096 19.136 19.000 0.068 0.000 1.072 33 A HN 0.912 nan 8.150 nan 0.000 0.495 34 S N 0.199 115.899 115.700 0.001 0.000 2.456 34 S HA 0.571 5.042 4.470 0.001 0.000 0.316 34 S C 0.233 174.830 174.600 -0.004 0.000 1.089 34 S CA -0.133 58.060 58.200 -0.010 0.000 1.101 34 S CB 1.259 64.437 63.200 -0.036 0.000 0.995 34 S HN 1.165 nan 8.310 nan 0.000 0.468 35 A N 2.417 125.241 122.820 0.007 0.000 2.483 35 A HA 0.339 4.660 4.320 0.001 0.000 0.238 35 A C 0.096 177.682 177.584 0.003 0.000 1.070 35 A CA -0.328 51.722 52.037 0.023 0.000 0.770 35 A CB -0.086 18.933 19.000 0.032 0.000 1.008 35 A HN 0.755 nan 8.150 nan 0.000 0.497 36 L N 3.740 124.979 121.223 0.027 0.000 2.404 36 L HA 0.309 4.650 4.340 0.001 0.000 0.277 36 L C 0.835 177.728 176.870 0.039 0.000 1.184 36 L CA 0.578 55.417 54.840 -0.001 0.000 1.013 36 L CB -0.736 41.348 42.059 0.041 0.000 1.318 36 L HN 0.787 nan 8.230 nan 0.000 0.435 37 T N 1.312 115.868 114.554 0.002 0.000 2.927 37 T HA 0.521 4.871 4.350 0.001 0.000 0.281 37 T C -1.801 172.906 174.700 0.011 0.000 0.998 37 T CA -1.850 60.260 62.100 0.016 0.000 1.019 37 T CB 1.293 70.162 68.868 0.002 0.000 1.061 37 T HN 0.264 nan 8.240 nan 0.000 0.518 38 P HA -0.078 nan 4.420 nan 0.000 0.220 38 P C 1.751 179.051 177.300 0.000 0.000 1.148 38 P CA 1.055 64.170 63.100 0.025 0.000 0.803 38 P CB -0.046 31.669 31.700 0.026 0.000 0.782 39 S N -1.057 114.636 115.700 -0.012 0.000 2.414 39 S HA -0.035 4.435 4.470 0.001 0.000 0.227 39 S C 1.965 176.538 174.600 -0.045 0.000 1.022 39 S CA 0.416 58.602 58.200 -0.024 0.000 0.958 39 S CB -0.660 62.528 63.200 -0.021 0.000 0.797 39 S HN -0.000 nan 8.310 nan 0.000 0.493 40 R N 0.801 121.263 120.500 -0.063 0.000 2.115 40 R HA 0.145 4.486 4.340 0.001 0.000 0.230 40 R C 2.118 178.337 176.300 -0.136 0.000 1.111 40 R CA 1.074 57.110 56.100 -0.106 0.000 0.976 40 R CB -0.972 29.248 30.300 -0.133 0.000 0.870 40 R HN 0.438 nan 8.270 nan 0.000 0.445 41 V N 1.376 121.226 119.914 -0.108 0.000 3.052 41 V HA -0.104 4.016 4.120 0.001 0.000 0.254 41 V C 2.236 178.304 176.094 -0.043 0.000 1.100 41 V CA 1.455 63.696 62.300 -0.099 0.000 1.112 41 V CB -0.139 31.676 31.823 -0.014 0.000 0.738 41 V HN 0.370 nan 8.190 nan 0.000 0.469 42 S N -0.213 115.470 115.700 -0.029 0.000 2.500 42 S HA -0.110 4.361 4.470 0.001 0.000 0.239 42 S C 1.445 176.030 174.600 -0.024 0.000 0.989 42 S CA 1.136 59.328 58.200 -0.014 0.000 0.951 42 S CB -0.468 62.725 63.200 -0.012 0.000 0.759 42 S HN 0.476 nan 8.310 nan 0.000 0.523 43 S N 2.164 117.836 115.700 -0.047 0.000 2.930 43 S HA 0.316 4.786 4.470 0.001 0.000 0.257 43 S C 0.202 174.775 174.600 -0.046 0.000 1.208 43 S CA -0.347 57.823 58.200 -0.050 0.000 1.233 43 S CB -0.833 62.324 63.200 -0.071 0.000 0.900 43 S HN 0.489 nan 8.310 nan 0.000 0.472 44 L N 2.564 123.773 121.223 -0.024 0.000 2.810 44 L HA -0.010 4.331 4.340 0.001 0.000 0.279 44 L C -2.130 174.735 176.870 -0.008 0.000 1.144 44 L CA -0.783 54.054 54.840 -0.005 0.000 0.998 44 L CB -0.401 41.665 42.059 0.013 0.000 1.342 44 L HN 0.052 nan 8.230 nan 0.000 0.473 45 P HA 0.019 nan 4.420 nan 0.000 0.235 45 P C -1.012 176.291 177.300 0.005 0.000 1.765 45 P CA -0.076 63.019 63.100 -0.009 0.000 1.034 45 P CB -0.033 31.659 31.700 -0.012 0.000 1.984 46 D N 0.612 121.015 120.400 0.005 0.000 3.620 46 D HA -0.135 4.506 4.640 0.001 0.000 0.237 46 D C 0.469 176.780 176.300 0.017 0.000 1.111 46 D CA 1.551 55.556 54.000 0.009 0.000 1.070 46 D CB -1.697 39.107 40.800 0.007 0.000 0.891 46 D HN 0.525 nan 8.370 nan 0.000 0.412 47 T N -1.865 112.702 114.554 0.021 0.000 3.866 47 T HA -0.383 3.968 4.350 0.001 0.000 0.344 47 T C 1.009 175.731 174.700 0.038 0.000 0.760 47 T CA 2.081 64.198 62.100 0.029 0.000 1.852 47 T CB -0.629 68.251 68.868 0.021 0.000 1.891 47 T HN 0.627 nan 8.240 nan 0.000 0.783 48 Q N 1.892 121.719 119.800 0.045 0.000 2.226 48 Q HA -0.008 4.333 4.340 0.001 0.000 0.199 48 Q C 1.864 177.926 176.000 0.104 0.000 0.945 48 Q CA 1.259 57.097 55.803 0.059 0.000 0.861 48 Q CB 0.195 28.963 28.738 0.050 0.000 0.953 48 Q HN 0.986 nan 8.270 nan 0.000 0.490 49 R N -0.303 120.275 120.500 0.130 0.000 3.311 49 R HA 0.514 4.854 4.340 0.001 0.000 0.332 49 R C 0.653 177.069 176.300 0.192 0.000 1.317 49 R CA 0.397 56.649 56.100 0.253 0.000 1.192 49 R CB 0.153 30.612 30.300 0.265 0.000 1.454 49 R HN 0.021 nan 8.270 nan 0.000 0.605 50 A N 0.415 123.303 122.820 0.115 0.000 2.208 50 A HA 0.215 4.536 4.320 0.001 0.000 0.209 50 A C 1.999 179.632 177.584 0.082 0.000 1.161 50 A CA 0.779 52.868 52.037 0.086 0.000 0.782 50 A CB 0.003 19.035 19.000 0.052 0.000 0.816 50 A HN 0.607 nan 8.150 nan 0.000 0.477 51 A N -0.896 121.969 122.820 0.075 0.000 1.878 51 A HA 0.010 4.330 4.320 0.001 0.000 0.213 51 A C 1.818 179.392 177.584 -0.017 0.000 1.192 51 A CA 0.979 53.003 52.037 -0.021 0.000 0.619 51 A CB -0.744 18.178 19.000 -0.131 0.000 0.837 51 A HN 0.678 nan 8.150 nan 0.000 0.446 52 W N 0.379 121.691 121.300 0.019 0.000 2.402 52 W HA -0.094 4.567 4.660 0.001 0.000 0.286 52 W C 2.593 179.179 176.519 0.110 0.000 1.221 52 W CA 1.412 58.779 57.345 0.036 0.000 1.257 52 W CB -0.247 29.181 29.460 -0.054 0.000 1.120 52 W HN 0.409 nan 8.180 nan 0.000 0.551 53 Q N 0.264 120.230 119.800 0.276 0.000 2.020 53 Q HA -0.227 4.114 4.340 0.001 0.000 0.202 53 Q C 1.972 178.064 176.000 0.154 0.000 0.982 53 Q CA 1.833 57.745 55.803 0.183 0.000 0.838 53 Q CB -0.388 28.420 28.738 0.118 0.000 0.899 53 Q HN 0.403 nan 8.270 nan 0.000 0.423 54 E N -0.246 120.029 120.200 0.125 0.000 2.118 54 E HA -0.234 4.116 4.350 0.001 0.000 0.195 54 E C 1.712 178.381 176.600 0.115 0.000 0.992 54 E CA 1.127 57.580 56.400 0.089 0.000 0.804 54 E CB -0.196 29.538 29.700 0.057 0.000 0.741 54 E HN 0.341 nan 8.360 nan 0.000 0.458 55 Y N 1.463 121.779 120.300 0.026 0.000 2.097 55 Y HA -0.263 4.287 4.550 0.001 0.000 0.282 55 Y C 1.955 177.939 175.900 0.140 0.000 1.152 55 Y CA 1.661 59.791 58.100 0.050 0.000 1.136 55 Y CB -0.273 38.170 38.460 -0.027 0.000 0.975 55 Y HN -0.052 nan 8.280 nan 0.000 0.498 56 L N -0.331 121.037 121.223 0.241 0.000 2.046 56 L HA -0.235 4.106 4.340 0.001 0.000 0.208 56 L C 2.793 179.675 176.870 0.019 0.000 1.077 56 L CA 1.161 56.080 54.840 0.131 0.000 0.747 56 L CB -1.104 41.070 42.059 0.192 0.000 0.896 56 L HN 0.354 nan 8.230 nan 0.000 0.432 57 A N 0.142 122.983 122.820 0.036 0.000 1.940 57 A HA -0.201 4.120 4.320 0.001 0.000 0.219 57 A C 2.414 179.981 177.584 -0.027 0.000 1.176 57 A CA 1.491 53.531 52.037 0.004 0.000 0.631 57 A CB -0.430 18.582 19.000 0.020 0.000 0.814 57 A HN 0.354 nan 8.150 nan 0.000 0.446 58 R N -0.998 119.483 120.500 -0.032 0.000 2.073 58 R HA -0.045 4.296 4.340 0.001 0.000 0.229 58 R C 2.590 178.844 176.300 -0.077 0.000 1.120 58 R CA 1.235 57.321 56.100 -0.024 0.000 0.967 58 R CB -0.538 29.771 30.300 0.015 0.000 0.862 58 R HN 0.539 nan 8.270 nan 0.000 0.436 59 S N 0.911 116.518 115.700 -0.156 0.000 2.359 59 S HA -0.152 4.319 4.470 0.001 0.000 0.224 59 S C 1.802 176.209 174.600 -0.323 0.000 1.035 59 S CA 1.252 59.240 58.200 -0.354 0.000 1.018 59 S CB 0.002 63.021 63.200 -0.302 0.000 0.876 59 S HN 0.220 nan 8.310 nan 0.000 0.448 60 E N 1.211 121.304 120.200 -0.180 0.000 2.077 60 E HA -0.049 4.301 4.350 0.001 0.000 0.193 60 E C 2.382 178.895 176.600 -0.144 0.000 0.989 60 E CA 1.100 57.413 56.400 -0.145 0.000 0.800 60 E CB -0.759 28.890 29.700 -0.085 0.000 0.746 60 E HN 0.584 nan 8.360 nan 0.000 0.452 61 A N 1.357 124.107 122.820 -0.116 0.000 1.851 61 A HA -0.273 4.048 4.320 0.001 0.000 0.216 61 A C 2.249 179.763 177.584 -0.117 0.000 1.195 61 A CA 2.073 54.055 52.037 -0.092 0.000 0.622 61 A CB -0.663 18.305 19.000 -0.054 0.000 0.831 61 A HN 0.163 nan 8.150 nan 0.000 0.444 62 Q N -0.203 119.505 119.800 -0.153 0.000 2.077 62 Q HA -0.157 4.183 4.340 0.001 0.000 0.206 62 Q C 1.956 177.838 176.000 -0.195 0.000 0.989 62 Q CA 1.908 57.605 55.803 -0.177 0.000 0.853 62 Q CB -0.615 27.938 28.738 -0.308 0.000 0.907 62 Q HN 0.630 nan 8.270 nan 0.000 0.418 63 L N -0.366 120.701 121.223 -0.260 0.000 2.021 63 L HA -0.287 4.053 4.340 0.001 0.000 0.215 63 L C 2.136 178.887 176.870 -0.198 0.000 1.074 63 L CA 1.990 56.705 54.840 -0.208 0.000 0.760 63 L CB -0.469 41.454 42.059 -0.228 0.000 0.889 63 L HN 0.279 nan 8.230 nan 0.000 0.433 64 S N -0.816 114.774 115.700 -0.183 0.000 2.368 64 S HA -0.222 4.249 4.470 0.001 0.000 0.225 64 S C 1.911 176.433 174.600 -0.129 0.000 1.030 64 S CA 1.317 59.413 58.200 -0.173 0.000 0.999 64 S CB -0.244 62.877 63.200 -0.132 0.000 0.844 64 S HN 0.350 nan 8.310 nan 0.000 0.459 65 R N 1.150 121.594 120.500 -0.094 0.000 2.091 65 R HA -0.112 4.229 4.340 0.001 0.000 0.238 65 R C 1.695 177.982 176.300 -0.023 0.000 1.136 65 R CA 1.669 57.737 56.100 -0.053 0.000 0.959 65 R CB -0.265 30.009 30.300 -0.043 0.000 0.856 65 R HN 0.257 nan 8.270 nan 0.000 0.437 66 D N 0.047 120.439 120.400 -0.012 0.000 2.087 66 D HA -0.157 4.484 4.640 0.001 0.000 0.192 66 D C 1.701 178.117 176.300 0.193 0.000 0.993 66 D CA 1.473 55.538 54.000 0.109 0.000 0.828 66 D CB -0.062 40.870 40.800 0.220 0.000 0.968 66 D HN 0.203 nan 8.370 nan 0.000 0.448 67 K N 0.427 120.782 120.400 -0.074 0.000 2.057 67 K HA -0.052 4.269 4.320 0.001 0.000 0.207 67 K C 2.118 178.667 176.600 -0.084 0.000 1.049 67 K CA 1.198 57.313 56.287 -0.286 0.000 0.931 67 K CB -0.134 31.959 32.500 -0.677 0.000 0.714 67 K HN 0.044 nan 8.250 nan 0.000 0.440 68 A N 0.814 123.589 122.820 -0.074 0.000 1.933 68 A HA -0.170 4.151 4.320 0.001 0.000 0.218 68 A C 2.226 179.817 177.584 0.012 0.000 1.175 68 A CA 1.898 53.911 52.037 -0.039 0.000 0.628 68 A CB -0.579 18.393 19.000 -0.047 0.000 0.814 68 A HN 0.257 nan 8.150 nan 0.000 0.444 69 S N -0.759 114.972 115.700 0.053 0.000 2.356 69 S HA -0.136 4.335 4.470 0.001 0.000 0.223 69 S C 1.933 176.601 174.600 0.114 0.000 1.032 69 S CA 1.518 59.768 58.200 0.084 0.000 1.005 69 S CB -0.424 62.839 63.200 0.104 0.000 0.867 69 S HN 0.490 nan 8.310 nan 0.000 0.449 70 L N 1.887 123.222 121.223 0.186 0.000 2.017 70 L HA 0.113 4.453 4.340 0.001 0.000 0.208 70 L C 2.477 179.357 176.870 0.018 0.000 1.073 70 L CA 2.141 57.025 54.840 0.074 0.000 0.745 70 L CB -1.174 40.905 42.059 0.033 0.000 0.894 70 L HN 0.318 nan 8.230 nan 0.000 0.432 71 A N -0.473 122.367 122.820 0.033 0.000 1.940 71 A HA -0.116 4.205 4.320 0.001 0.000 0.219 71 A C 2.386 179.971 177.584 0.000 0.000 1.176 71 A CA 1.651 53.693 52.037 0.008 0.000 0.631 71 A CB -1.132 17.863 19.000 -0.008 0.000 0.814 71 A HN 0.572 nan 8.150 nan 0.000 0.446 72 A N -0.373 122.451 122.820 0.006 0.000 2.121 72 A HA -0.083 4.237 4.320 0.001 0.000 0.218 72 A C 1.768 179.351 177.584 -0.002 0.000 1.154 72 A CA 1.372 53.409 52.037 0.001 0.000 0.679 72 A CB -0.392 18.611 19.000 0.005 0.000 0.795 72 A HN 0.671 nan 8.150 nan 0.000 0.458 73 E N -0.673 119.524 120.200 -0.005 0.000 2.299 73 E HA 0.110 4.461 4.350 0.001 0.000 0.193 73 E C -0.040 176.548 176.600 -0.019 0.000 0.998 73 E CA -0.084 56.306 56.400 -0.016 0.000 0.851 73 E CB -0.010 29.671 29.700 -0.031 0.000 0.795 73 E HN 0.544 nan 8.360 nan 0.000 0.492 74 L N 1.056 122.269 121.223 -0.016 0.000 2.375 74 L HA 0.325 4.666 4.340 0.001 0.000 0.271 74 L C 0.114 176.979 176.870 -0.008 0.000 1.107 74 L CA -0.794 54.039 54.840 -0.013 0.000 0.806 74 L CB 1.039 43.093 42.059 -0.008 0.000 1.146 74 L HN -0.001 nan 8.230 nan 0.000 0.447 75 A N 3.708 126.524 122.820 -0.007 0.000 2.293 75 A HA 0.638 4.958 4.320 0.001 0.000 0.302 75 A C -2.397 175.185 177.584 -0.003 0.000 1.119 75 A CA -1.619 50.415 52.037 -0.005 0.000 0.823 75 A CB 0.165 19.162 19.000 -0.005 0.000 1.097 75 A HN 0.455 nan 8.150 nan 0.000 0.491 76 P HA 0.240 nan 4.420 nan 0.000 0.260 76 P C 0.988 178.287 177.300 -0.001 0.000 1.185 76 P CA 2.048 65.147 63.100 -0.002 0.000 0.763 76 P CB 0.498 32.197 31.700 -0.003 0.000 0.776 77 G N 2.260 111.060 108.800 0.001 0.000 2.205 77 G HA2 -0.312 3.649 3.960 0.001 0.000 0.261 77 G HA3 -0.312 3.649 3.960 0.001 0.000 0.261 77 G C 0.327 175.229 174.900 0.003 0.000 0.980 77 G CA -0.009 45.093 45.100 0.002 0.000 0.632 77 G HN 0.662 nan 8.290 nan 0.000 0.533 78 Q N 2.073 121.874 119.800 0.002 0.000 2.271 78 Q HA 0.391 4.732 4.340 0.001 0.000 0.273 78 Q C -1.605 174.398 176.000 0.004 0.000 1.051 78 Q CA -1.180 54.624 55.803 0.002 0.000 0.901 78 Q CB 0.621 29.358 28.738 -0.001 0.000 1.174 78 Q HN 0.372 nan 8.270 nan 0.000 0.385 79 P HA -0.031 nan 4.420 nan 0.000 0.269 79 P C -0.470 176.836 177.300 0.010 0.000 1.209 79 P CA 0.135 63.240 63.100 0.009 0.000 0.776 79 P CB 0.619 32.324 31.700 0.009 0.000 0.876 80 L N 4.133 125.365 121.223 0.015 0.000 2.490 80 L HA 0.106 4.447 4.340 0.001 0.000 0.274 80 L C -1.645 175.235 176.870 0.017 0.000 1.201 80 L CA -1.399 53.453 54.840 0.019 0.000 0.869 80 L CB -0.542 41.535 42.059 0.030 0.000 1.123 80 L HN 0.292 nan 8.230 nan 0.000 0.484 81 P HA 0.241 nan 4.420 nan 0.000 0.274 81 P C -2.436 174.880 177.300 0.027 0.000 1.246 81 P CA -1.118 61.991 63.100 0.015 0.000 0.795 81 P CB -0.005 31.698 31.700 0.004 0.000 1.006 82 P HA 0.144 nan 4.420 nan 0.000 0.269 82 P C -2.403 174.927 177.300 0.049 0.000 1.217 82 P CA -0.811 62.311 63.100 0.036 0.000 0.783 82 P CB -1.028 30.693 31.700 0.036 0.000 0.898 83 P HA 0.121 nan 4.420 nan 0.000 0.269 83 P C -2.070 175.276 177.300 0.075 0.000 1.209 83 P CA -0.833 62.296 63.100 0.048 0.000 0.776 83 P CB -0.782 30.925 31.700 0.012 0.000 0.876 84 P HA 0.094 nan 4.420 nan 0.000 0.274 84 P C -0.671 176.657 177.300 0.046 0.000 1.260 84 P CA -0.252 62.941 63.100 0.156 0.000 0.793 84 P CB 0.375 32.249 31.700 0.290 0.000 1.048 85 A N 0.580 123.409 122.820 0.015 0.000 2.483 85 A HA 0.274 4.594 4.320 0.001 0.000 0.238 85 A C 0.524 178.065 177.584 -0.073 0.000 1.070 85 A CA 0.039 52.060 52.037 -0.027 0.000 0.770 85 A CB -0.448 18.535 19.000 -0.028 0.000 1.008 85 A HN 0.663 nan 8.150 nan 0.000 0.497 86 E N 0.691 120.859 120.200 -0.053 0.000 2.367 86 E HA 0.738 5.088 4.350 0.001 0.000 0.273 86 E C -0.156 176.414 176.600 -0.051 0.000 0.903 86 E CA -0.580 55.783 56.400 -0.061 0.000 0.764 86 E CB 1.814 31.485 29.700 -0.049 0.000 1.252 86 E HN 1.781 nan 8.360 nan 0.000 0.446 87 G N 1.224 109.991 108.800 -0.055 0.000 2.325 87 G HA2 -0.010 3.951 3.960 0.001 0.000 0.285 87 G HA3 -0.010 3.951 3.960 0.001 0.000 0.285 87 G C -1.327 173.543 174.900 -0.050 0.000 1.303 87 G CA -1.072 44.002 45.100 -0.044 0.000 0.970 87 G HN 0.464 nan 8.290 nan 0.000 0.490 88 K N 0.508 120.882 120.400 -0.043 0.000 2.472 88 K HA 0.343 4.664 4.320 0.001 0.000 0.280 88 K C 1.299 177.862 176.600 -0.062 0.000 1.028 88 K CA 0.741 57.000 56.287 -0.046 0.000 1.045 88 K CB 1.081 33.558 32.500 -0.038 0.000 0.902 88 K HN 0.721 nan 8.250 nan 0.000 0.478 89 G N 1.744 110.501 108.800 -0.072 0.000 2.789 89 G HA2 -0.061 3.899 3.960 0.001 0.000 0.207 89 G HA3 -0.061 3.899 3.960 0.001 0.000 0.207 89 G C 1.402 176.238 174.900 -0.107 0.000 1.153 89 G CA 0.515 45.557 45.100 -0.098 0.000 0.847 89 G HN 0.618 nan 8.290 nan 0.000 0.615 90 A N 2.241 125.006 122.820 -0.091 0.000 1.985 90 A HA -0.239 4.081 4.320 0.001 0.000 0.223 90 A C 1.936 179.469 177.584 -0.084 0.000 1.189 90 A CA 2.624 54.608 52.037 -0.089 0.000 0.658 90 A CB -0.757 18.206 19.000 -0.062 0.000 0.820 90 A HN 0.508 nan 8.150 nan 0.000 0.464 91 D N -0.733 119.621 120.400 -0.075 0.000 2.371 91 D HA -0.087 4.554 4.640 0.001 0.000 0.221 91 D C 1.364 177.612 176.300 -0.088 0.000 0.986 91 D CA 1.543 55.498 54.000 -0.074 0.000 0.899 91 D CB -1.090 39.673 40.800 -0.062 0.000 0.902 91 D HN 0.514 nan 8.370 nan 0.000 0.530 92 T N -3.376 111.115 114.554 -0.104 0.000 3.086 92 T HA 0.252 4.602 4.350 0.001 0.000 0.250 92 T C 0.960 175.543 174.700 -0.195 0.000 1.074 92 T CA -0.409 61.626 62.100 -0.109 0.000 0.988 92 T CB -0.247 68.559 68.868 -0.104 0.000 0.988 92 T HN 0.072 nan 8.240 nan 0.000 0.530 93 M N 2.734 122.204 119.600 -0.217 0.000 3.062 93 M HA 0.329 4.810 4.480 0.001 0.000 0.270 93 M C -2.813 173.542 176.300 0.093 0.000 1.270 93 M CA -1.881 53.208 55.300 -0.352 0.000 0.702 93 M CB 1.364 33.711 32.600 -0.421 0.000 1.398 93 M HN -0.095 nan 8.290 nan 0.000 0.490 94 P HA 0.043 nan 4.420 nan 0.000 0.267 94 P C 0.032 177.550 177.300 0.363 0.000 1.205 94 P CA 0.290 63.465 63.100 0.125 0.000 0.765 94 P CB 1.120 32.739 31.700 -0.135 0.000 0.828 95 L N 2.200 123.561 121.223 0.230 0.000 2.640 95 L HA 0.097 4.438 4.340 0.001 0.000 0.230 95 L C 1.223 178.188 176.870 0.158 0.000 1.123 95 L CA 0.424 55.392 54.840 0.215 0.000 0.900 95 L CB -0.162 41.957 42.059 0.100 0.000 1.146 95 L HN 0.386 nan 8.230 nan 0.000 0.484 96 D N -1.607 118.872 120.400 0.132 0.000 2.501 96 D HA 0.047 4.687 4.640 0.001 0.000 0.224 96 D C 0.414 176.765 176.300 0.084 0.000 1.202 96 D CA -0.267 53.784 54.000 0.085 0.000 0.829 96 D CB 0.382 41.197 40.800 0.026 0.000 1.023 96 D HN -0.089 nan 8.370 nan 0.000 0.499 97 K N 1.419 121.896 120.400 0.130 0.000 2.149 97 K HA 0.362 4.682 4.320 0.001 0.000 0.245 97 K C -2.177 174.527 176.600 0.173 0.000 1.024 97 K CA -1.583 54.698 56.287 -0.010 0.000 0.899 97 K CB -0.295 31.994 32.500 -0.352 0.000 1.038 97 K HN 0.057 nan 8.250 nan 0.000 0.496 98 P HA 0.053 nan 4.420 nan 0.000 0.272 98 P C 0.232 177.688 177.300 0.261 0.000 1.230 98 P CA 0.031 63.218 63.100 0.146 0.000 0.788 98 P CB 0.489 32.243 31.700 0.090 0.000 0.949 99 A N 2.441 125.389 122.820 0.212 0.000 1.873 99 A HA -0.251 4.070 4.320 0.001 0.000 0.218 99 A C 2.176 179.889 177.584 0.215 0.000 1.193 99 A CA 2.624 54.799 52.037 0.230 0.000 0.629 99 A CB -1.880 17.180 19.000 0.101 0.000 0.826 99 A HN 0.569 nan 8.150 nan 0.000 0.447 100 A N -1.912 120.983 122.820 0.125 0.000 1.958 100 A HA -0.269 4.051 4.320 0.001 0.000 0.221 100 A C 1.964 179.571 177.584 0.039 0.000 1.178 100 A CA 1.914 53.993 52.037 0.070 0.000 0.642 100 A CB -1.080 17.954 19.000 0.058 0.000 0.816 100 A HN 0.909 nan 8.150 nan 0.000 0.453 101 W N -0.408 120.825 121.300 -0.111 0.000 2.350 101 W HA -0.206 4.454 4.660 0.001 0.000 0.289 101 W C 1.342 177.653 176.519 -0.346 0.000 1.215 101 W CA 1.749 58.945 57.345 -0.249 0.000 1.236 101 W CB -0.419 28.820 29.460 -0.369 0.000 1.130 101 W HN 0.471 nan 8.180 nan 0.000 0.541 102 Y N -0.297 119.925 120.300 -0.129 0.000 2.553 102 Y HA 0.001 4.552 4.550 0.001 0.000 0.303 102 Y C 2.279 177.982 175.900 -0.329 0.000 1.194 102 Y CA 1.398 59.306 58.100 -0.320 0.000 1.305 102 Y CB -0.806 37.513 38.460 -0.236 0.000 1.045 102 Y HN 0.027 nan 8.280 nan 0.000 0.514 103 T N -4.280 110.153 114.554 -0.202 0.000 3.040 103 T HA 0.173 4.524 4.350 0.001 0.000 0.266 103 T C 0.649 175.221 174.700 -0.213 0.000 1.005 103 T CA 0.011 62.016 62.100 -0.159 0.000 0.906 103 T CB -0.378 68.441 68.868 -0.081 0.000 1.082 103 T HN 0.136 nan 8.240 nan 0.000 0.531 104 S N 1.060 116.541 115.700 -0.365 0.000 2.632 104 S HA 0.420 4.891 4.470 0.001 0.000 0.267 104 S C 1.192 175.610 174.600 -0.304 0.000 1.276 104 S CA -0.930 57.061 58.200 -0.348 0.000 0.998 104 S CB 1.238 64.142 63.200 -0.492 0.000 0.953 104 S HN 0.061 nan 8.310 nan 0.000 0.547 105 K N 0.996 121.282 120.400 -0.191 0.000 2.147 105 K HA -0.025 4.296 4.320 0.001 0.000 0.205 105 K C 2.301 178.833 176.600 -0.114 0.000 1.049 105 K CA 1.404 57.622 56.287 -0.114 0.000 0.936 105 K CB -1.265 31.194 32.500 -0.069 0.000 0.722 105 K HN 0.754 nan 8.250 nan 0.000 0.446 106 A N 1.635 124.347 122.820 -0.181 0.000 1.902 106 A HA -0.058 4.262 4.320 0.001 0.000 0.217 106 A C 2.435 179.914 177.584 -0.175 0.000 1.181 106 A CA 2.000 53.974 52.037 -0.105 0.000 0.623 106 A CB -0.531 18.469 19.000 -0.000 0.000 0.818 106 A HN 0.301 nan 8.150 nan 0.000 0.443 107 A N -0.582 121.882 122.820 -0.593 0.000 1.929 107 A HA -0.039 4.282 4.320 0.001 0.000 0.216 107 A C 2.152 179.653 177.584 -0.139 0.000 1.176 107 A CA 1.798 53.526 52.037 -0.514 0.000 0.628 107 A CB -0.370 17.982 19.000 -1.080 0.000 0.816 107 A HN 0.434 nan 8.150 nan 0.000 0.444 108 R N -0.482 119.905 120.500 -0.187 0.000 2.092 108 R HA -0.147 4.194 4.340 0.001 0.000 0.231 108 R C 2.097 178.396 176.300 -0.003 0.000 1.119 108 R CA 1.987 58.006 56.100 -0.136 0.000 0.970 108 R CB -0.800 29.452 30.300 -0.080 0.000 0.864 108 R HN 0.770 nan 8.270 nan 0.000 0.440 109 H N -0.526 118.523 119.070 -0.034 0.000 2.395 109 H HA -0.013 4.544 4.556 0.001 0.000 0.299 109 H C 1.604 176.959 175.328 0.046 0.000 1.070 109 H CA 1.703 57.765 56.048 0.024 0.000 1.356 109 H CB 0.278 30.049 29.762 0.014 0.000 1.401 109 H HN 0.105 nan 8.280 nan 0.000 0.524 110 V N 1.482 121.404 119.914 0.014 0.000 2.407 110 V HA -0.257 3.863 4.120 0.001 0.000 0.248 110 V C 3.026 179.078 176.094 -0.071 0.000 1.055 110 V CA 1.502 63.752 62.300 -0.083 0.000 1.049 110 V CB -1.095 30.648 31.823 -0.134 0.000 0.662 110 V HN 0.576 nan 8.190 nan 0.000 0.455 111 A N -0.114 122.733 122.820 0.045 0.000 1.873 111 A HA -0.229 4.091 4.320 0.001 0.000 0.215 111 A C 2.008 179.697 177.584 0.176 0.000 1.186 111 A CA 1.937 54.005 52.037 0.051 0.000 0.616 111 A CB -0.602 18.156 19.000 -0.403 0.000 0.823 111 A HN 0.524 nan 8.150 nan 0.000 0.442 112 D N -0.221 120.267 120.400 0.146 0.000 2.117 112 D HA -0.110 4.531 4.640 0.001 0.000 0.197 112 D C 2.073 178.417 176.300 0.074 0.000 0.987 112 D CA 1.414 55.512 54.000 0.163 0.000 0.829 112 D CB -0.547 40.300 40.800 0.079 0.000 0.961 112 D HN 0.190 nan 8.370 nan 0.000 0.460 113 V N 1.162 121.042 119.914 -0.056 0.000 2.287 113 V HA -0.232 3.889 4.120 0.001 0.000 0.248 113 V C 2.539 178.791 176.094 0.264 0.000 1.053 113 V CA 1.157 63.493 62.300 0.061 0.000 1.027 113 V CB -0.360 31.436 31.823 -0.044 0.000 0.646 113 V HN 0.188 nan 8.190 nan 0.000 0.447 114 I N -0.479 120.197 120.570 0.177 0.000 2.127 114 I HA -0.248 3.923 4.170 0.001 0.000 0.241 114 I C 2.388 178.821 176.117 0.527 0.000 1.075 114 I CA 1.510 62.971 61.300 0.268 0.000 1.334 114 I CB -0.424 37.605 38.000 0.049 0.000 1.040 114 I HN 0.138 nan 8.210 nan 0.000 0.405 115 V N 0.919 121.065 119.914 0.387 0.000 2.392 115 V HA -0.283 3.838 4.120 0.001 0.000 0.249 115 V C 2.533 178.756 176.094 0.215 0.000 1.059 115 V CA 2.277 64.776 62.300 0.330 0.000 1.051 115 V CB -0.771 31.198 31.823 0.245 0.000 0.658 115 V HN 0.625 nan 8.190 nan 0.000 0.455 116 S N -1.164 114.637 115.700 0.168 0.000 2.461 116 S HA -0.017 4.454 4.470 0.001 0.000 0.228 116 S C 1.510 176.069 174.600 -0.068 0.000 1.005 116 S CA 0.931 59.134 58.200 0.005 0.000 0.942 116 S CB -0.429 62.712 63.200 -0.098 0.000 0.776 116 S HN 0.491 nan 8.310 nan 0.000 0.514 117 F N 1.646 121.710 119.950 0.191 0.000 2.695 117 F HA 0.423 4.950 4.527 0.001 0.000 0.303 117 F C 1.124 176.949 175.800 0.041 0.000 1.091 117 F CA -0.742 57.380 58.000 0.204 0.000 1.300 117 F CB 0.062 39.219 39.000 0.262 0.000 1.071 117 F HN 0.236 nan 8.300 nan 0.000 0.578 118 Q N 1.558 121.339 119.800 -0.031 0.000 2.337 118 Q HA 0.138 4.479 4.340 0.001 0.000 0.270 118 Q C 0.483 176.143 176.000 -0.566 0.000 1.002 118 Q CA -0.201 55.163 55.803 -0.732 0.000 0.888 118 Q CB 0.848 29.154 28.738 -0.720 0.000 1.222 118 Q HN 0.294 nan 8.270 nan 0.000 0.400 119 T N 1.195 115.299 114.554 -0.751 0.000 2.868 119 T HA 0.237 4.587 4.350 0.001 0.000 0.292 119 T C -1.895 172.477 174.700 -0.546 0.000 1.028 119 T CA -1.563 60.009 62.100 -0.879 0.000 1.059 119 T CB 0.827 69.262 68.868 -0.722 0.000 0.991 119 T HN 0.489 nan 8.240 nan 0.000 0.531 120 P HA -0.101 nan 4.420 nan 0.000 0.218 120 P C 1.479 178.717 177.300 -0.104 0.000 1.146 120 P CA 1.487 64.471 63.100 -0.193 0.000 0.820 120 P CB -0.235 31.399 31.700 -0.111 0.000 0.778 121 A N -1.337 121.439 122.820 -0.073 0.000 2.014 121 A HA 0.263 4.584 4.320 0.001 0.000 0.218 121 A C 1.858 179.563 177.584 0.201 0.000 1.163 121 A CA 1.591 53.722 52.037 0.157 0.000 0.652 121 A CB -1.110 18.086 19.000 0.327 0.000 0.808 121 A HN 0.285 nan 8.150 nan 0.000 0.449 122 G N -3.110 105.619 108.800 -0.119 0.000 2.192 122 G HA2 0.113 4.073 3.960 0.001 0.000 0.193 122 G HA3 0.113 4.073 3.960 0.001 0.000 0.193 122 G C 0.605 175.029 174.900 -0.793 0.000 0.999 122 G CA 0.156 45.085 45.100 -0.284 0.000 0.659 122 G HN 1.288 nan 8.290 nan 0.000 0.503 123 G N -1.554 106.584 108.800 -1.103 0.000 2.642 123 G HA2 0.631 4.591 3.960 0.001 0.000 0.291 123 G HA3 0.631 4.591 3.960 0.001 0.000 0.291 123 G C -0.474 173.873 174.900 -0.922 0.000 1.345 123 G CA -0.830 43.420 45.100 -1.417 0.000 1.043 123 G HN 0.265 nan 8.290 nan 0.000 0.528 124 W N -1.606 119.509 121.300 -0.308 0.000 3.083 124 W HA 0.545 5.206 4.660 0.001 0.000 0.333 124 W C 0.220 176.708 176.519 -0.052 0.000 1.217 124 W CA -0.824 56.451 57.345 -0.117 0.000 1.170 124 W CB 1.824 31.239 29.460 -0.076 0.000 1.437 124 W HN 0.853 nan 8.180 nan 0.000 0.557 125 G N 1.015 109.950 108.800 0.225 0.000 2.535 125 G HA2 0.561 4.521 3.960 0.001 0.000 0.303 125 G HA3 0.561 4.521 3.960 0.001 0.000 0.303 125 G C -0.607 174.363 174.900 0.116 0.000 1.237 125 G CA -0.633 44.561 45.100 0.157 0.000 0.986 125 G HN 0.343 nan 8.290 nan 0.000 0.494 126 K N -1.940 118.507 120.400 0.079 0.000 2.210 126 K HA 0.400 4.720 4.320 0.001 0.000 0.236 126 K C -0.002 176.574 176.600 -0.039 0.000 1.016 126 K CA -0.494 55.806 56.287 0.022 0.000 0.913 126 K CB 0.820 33.340 32.500 0.033 0.000 1.141 126 K HN 0.582 nan 8.250 nan 0.000 0.462 127 N N 0.512 119.180 118.700 -0.053 0.000 2.725 127 N HA -0.216 4.524 4.740 0.001 0.000 0.251 127 N C -1.445 174.010 175.510 -0.092 0.000 1.031 127 N CA 0.486 53.494 53.050 -0.070 0.000 0.720 127 N CB -0.881 37.562 38.487 -0.074 0.000 0.930 127 N HN 0.544 nan 8.380 nan 0.000 0.543 128 Q N -0.437 119.293 119.800 -0.117 0.000 2.337 128 Q HA 0.335 4.676 4.340 0.001 0.000 0.264 128 Q C -2.729 173.163 176.000 -0.180 0.000 1.007 128 Q CA -1.709 53.988 55.803 -0.176 0.000 0.727 128 Q CB 2.201 30.781 28.738 -0.263 0.000 1.256 128 Q HN 0.043 nan 8.270 nan 0.000 0.467 129 P HA -0.004 nan 4.420 nan 0.000 0.268 129 P C -0.263 176.955 177.300 -0.136 0.000 1.204 129 P CA 0.017 63.048 63.100 -0.116 0.000 0.768 129 P CB 0.647 32.305 31.700 -0.070 0.000 0.842 130 R N 2.251 122.669 120.500 -0.135 0.000 2.546 130 R HA 0.086 4.426 4.340 0.001 0.000 0.320 130 R C 0.134 176.403 176.300 -0.052 0.000 1.021 130 R CA 0.176 56.201 56.100 -0.126 0.000 1.088 130 R CB 0.061 30.236 30.300 -0.208 0.000 1.278 130 R HN 0.524 nan 8.270 nan 0.000 0.557 131 D N -0.263 120.147 120.400 0.016 0.000 2.395 131 D HA 0.054 4.695 4.640 0.001 0.000 0.213 131 D C 0.816 177.259 176.300 0.238 0.000 1.110 131 D CA -0.053 54.028 54.000 0.136 0.000 0.835 131 D CB 0.337 41.190 40.800 0.088 0.000 0.965 131 D HN 0.107 nan 8.370 nan 0.000 0.505 132 G N 0.567 109.482 108.800 0.191 0.000 3.227 132 G HA2 0.539 4.500 3.960 0.001 0.000 0.171 132 G HA3 0.539 4.500 3.960 0.001 0.000 0.171 132 G C -0.039 175.042 174.900 0.302 0.000 1.463 132 G CA -0.025 45.199 45.100 0.207 0.000 1.016 132 G HN 0.337 nan 8.290 nan 0.000 0.594 133 A N -1.021 121.932 122.820 0.221 0.000 2.313 133 A HA 0.622 4.943 4.320 0.001 0.000 0.261 133 A C 0.122 177.849 177.584 0.238 0.000 1.090 133 A CA -0.335 51.835 52.037 0.221 0.000 0.807 133 A CB 0.061 19.158 19.000 0.161 0.000 1.055 133 A HN 0.474 nan 8.150 nan 0.000 0.492 134 L N 0.671 121.984 121.223 0.150 0.000 2.439 134 L HA 0.377 4.717 4.340 0.001 0.000 0.261 134 L C 1.155 177.976 176.870 -0.081 0.000 1.153 134 L CA -0.540 54.331 54.840 0.052 0.000 0.808 134 L CB 0.489 42.551 42.059 0.006 0.000 1.126 134 L HN 0.824 nan 8.230 nan 0.000 0.460 135 R N 1.681 121.889 120.500 -0.487 0.000 2.489 135 R HA 0.198 4.539 4.340 0.001 0.000 0.287 135 R C -0.641 175.479 176.300 -0.299 0.000 1.053 135 R CA -0.616 55.058 56.100 -0.710 0.000 1.036 135 R CB 0.429 29.930 30.300 -1.332 0.000 0.966 135 R HN 0.352 nan 8.270 nan 0.000 0.432 136 L N 6.003 127.122 121.223 -0.173 0.000 2.439 136 L HA 0.353 4.694 4.340 0.001 0.000 0.261 136 L C -1.898 174.902 176.870 -0.117 0.000 1.153 136 L CA -2.205 52.576 54.840 -0.100 0.000 0.808 136 L CB 0.532 42.563 42.059 -0.047 0.000 1.126 136 L HN 0.606 nan 8.230 nan 0.000 0.460 137 P HA 0.209 nan 4.420 nan 0.000 0.267 137 P C 0.641 177.895 177.300 -0.077 0.000 1.205 137 P CA 0.608 63.662 63.100 -0.076 0.000 0.765 137 P CB 0.683 32.355 31.700 -0.047 0.000 0.828 138 G N 1.700 110.440 108.800 -0.101 0.000 2.205 138 G HA2 -0.289 3.672 3.960 0.001 0.000 0.261 138 G HA3 -0.289 3.672 3.960 0.001 0.000 0.261 138 G C 0.258 175.088 174.900 -0.116 0.000 0.980 138 G CA -0.059 44.985 45.100 -0.093 0.000 0.632 138 G HN 0.648 nan 8.290 nan 0.000 0.533 139 Q N 0.283 119.999 119.800 -0.140 0.000 2.288 139 Q HA 0.481 4.822 4.340 0.001 0.000 0.254 139 Q C 0.492 176.370 176.000 -0.203 0.000 0.932 139 Q CA -0.698 55.044 55.803 -0.102 0.000 0.902 139 Q CB 0.404 29.104 28.738 -0.064 0.000 1.203 139 Q HN 0.543 nan 8.270 nan 0.000 0.415 140 H N 2.087 121.052 119.070 -0.176 0.000 3.016 140 H HA -0.120 4.437 4.556 0.001 0.000 0.345 140 H C -0.102 175.132 175.328 -0.157 0.000 1.066 140 H CA 1.028 56.924 56.048 -0.254 0.000 1.390 140 H CB 0.533 30.226 29.762 -0.114 0.000 1.344 140 H HN 0.677 nan 8.280 nan 0.000 0.605 141 Y N 0.832 121.049 120.300 -0.139 0.000 2.337 141 Y HA -0.112 4.439 4.550 0.001 0.000 0.293 141 Y C 2.461 178.542 175.900 0.301 0.000 1.123 141 Y CA 1.319 59.497 58.100 0.130 0.000 1.201 141 Y CB -0.113 38.280 38.460 -0.111 0.000 1.011 141 Y HN 0.733 nan 8.280 nan 0.000 0.545 142 T N -4.633 110.201 114.554 0.466 0.000 3.125 142 T HA 0.624 4.975 4.350 0.001 0.000 0.252 142 T C 0.921 175.683 174.700 0.104 0.000 0.981 142 T CA 0.390 62.630 62.100 0.234 0.000 1.069 142 T CB 0.483 69.445 68.868 0.158 0.000 1.091 142 T HN 0.257 nan 8.240 nan 0.000 0.460 143 G N 0.840 109.643 108.800 0.005 0.000 2.386 143 G HA2 0.496 4.457 3.960 0.001 0.000 0.302 143 G HA3 0.496 4.457 3.960 0.001 0.000 0.302 143 G C -2.065 172.616 174.900 -0.366 0.000 1.629 143 G CA -0.485 44.528 45.100 -0.145 0.000 0.917 143 G HN 0.709 nan 8.290 nan 0.000 0.676 144 E N 0.072 120.134 120.200 -0.229 0.000 2.429 144 E HA 0.420 4.771 4.350 0.001 0.000 0.280 144 E C -1.082 175.477 176.600 -0.068 0.000 1.068 144 E CA -1.267 55.019 56.400 -0.190 0.000 0.837 144 E CB 0.912 30.454 29.700 -0.264 0.000 1.357 144 E HN 0.320 nan 8.360 nan 0.000 0.455 145 N N 0.152 118.836 118.700 -0.027 0.000 2.482 145 N HA 0.151 4.892 4.740 0.001 0.000 0.260 145 N C -0.272 175.240 175.510 0.004 0.000 1.236 145 N CA -0.265 52.785 53.050 -0.001 0.000 0.938 145 N CB 1.174 39.672 38.487 0.018 0.000 1.128 145 N HN 0.275 nan 8.380 nan 0.000 0.448 146 V N 1.361 121.280 119.914 0.009 0.000 2.529 146 V HA 0.046 4.167 4.120 0.001 0.000 0.292 146 V C 0.865 176.969 176.094 0.017 0.000 1.028 146 V CA -0.435 61.873 62.300 0.013 0.000 1.074 146 V CB 0.468 32.299 31.823 0.014 0.000 0.958 146 V HN 0.726 nan 8.190 nan 0.000 0.481 147 A N 6.322 129.154 122.820 0.020 0.000 2.981 147 A HA 0.201 4.522 4.320 0.001 0.000 0.280 147 A C 0.715 178.311 177.584 0.020 0.000 1.743 147 A CA -0.239 51.811 52.037 0.022 0.000 1.430 147 A CB -0.790 18.225 19.000 0.025 0.000 1.085 147 A HN 0.854 nan 8.150 nan 0.000 0.597 148 K N 0.119 120.531 120.400 0.019 0.000 2.440 148 K HA 0.291 4.611 4.320 0.001 0.000 0.270 148 K C -0.431 176.179 176.600 0.017 0.000 0.980 148 K CA 0.186 56.483 56.287 0.017 0.000 0.953 148 K CB 0.653 33.163 32.500 0.017 0.000 0.925 148 K HN 0.295 nan 8.250 nan 0.000 0.497 149 V N 3.014 122.937 119.914 0.015 0.000 2.540 149 V HA 0.284 4.404 4.120 0.001 0.000 0.302 149 V C -0.019 176.083 176.094 0.013 0.000 1.035 149 V CA -0.752 61.556 62.300 0.014 0.000 0.873 149 V CB 1.314 33.144 31.823 0.013 0.000 0.992 149 V HN 0.909 nan 8.190 nan 0.000 0.428 161 D N 2.999 123.410 120.400 0.018 0.000 2.479 161 D HA 0.319 4.959 4.640 0.001 0.000 0.247 161 D C -0.530 175.813 176.300 0.072 0.000 1.119 161 D CA -0.285 53.730 54.000 0.025 0.000 0.922 161 D CB 0.391 41.203 40.800 0.020 0.000 1.014 161 D HN 0.398 nan 8.370 nan 0.000 0.510 162 R N 1.723 122.298 120.500 0.126 0.000 2.573 162 R HA 0.339 4.679 4.340 0.001 0.000 0.272 162 R C -0.103 176.362 176.300 0.276 0.000 1.009 162 R CA -0.889 55.341 56.100 0.217 0.000 1.059 162 R CB 0.908 31.410 30.300 0.336 0.000 1.112 162 R HN 0.298 nan 8.270 nan 0.000 0.517 163 D N 0.639 121.149 120.400 0.182 0.000 2.449 163 D HA -0.103 4.537 4.640 0.001 0.000 0.236 163 D C -0.365 176.067 176.300 0.221 0.000 1.149 163 D CA 0.820 54.879 54.000 0.097 0.000 0.878 163 D CB 0.658 41.455 40.800 -0.005 0.000 1.198 163 D HN 0.402 nan 8.370 nan 0.000 0.446 164 W N 2.818 123.932 121.300 -0.310 0.000 1.851 164 W HA 0.055 4.715 4.660 0.001 0.000 0.303 164 W C -1.096 175.189 176.519 -0.390 0.000 0.969 164 W CA -0.329 56.903 57.345 -0.188 0.000 1.537 164 W CB 0.311 29.705 29.460 -0.111 0.000 1.682 164 W HN 0.367 nan 8.180 nan 0.000 0.367 165 H N 2.434 121.552 119.070 0.080 0.000 2.529 165 H HA 0.154 4.710 4.556 0.001 0.000 0.348 165 H C -0.150 175.287 175.328 0.181 0.000 1.079 165 H CA -0.500 55.619 56.048 0.119 0.000 1.198 165 H CB 1.374 31.263 29.762 0.211 0.000 1.521 165 H HN 0.247 nan 8.280 nan 0.000 0.514 166 Y N -0.274 120.020 120.300 -0.010 0.000 3.589 166 Y HA -0.225 4.325 4.550 0.001 0.000 0.218 166 Y C 0.440 176.322 175.900 -0.029 0.000 1.234 166 Y CA 0.120 58.205 58.100 -0.025 0.000 1.576 166 Y CB -2.240 36.218 38.460 -0.002 0.000 1.487 166 Y HN 0.332 nan 8.280 nan 0.000 0.616 167 V N 0.264 120.166 119.914 -0.021 0.000 2.052 167 V HA 0.540 4.661 4.120 0.001 0.000 0.281 167 V C 1.070 177.156 176.094 -0.013 0.000 1.668 167 V CA 0.526 62.750 62.300 -0.127 0.000 1.621 167 V CB 0.186 31.671 31.823 -0.564 0.000 1.488 167 V HN 0.877 nan 8.190 nan 0.000 0.513 168 G N 0.720 109.566 108.800 0.077 0.000 2.491 168 G HA2 0.033 3.993 3.960 0.001 0.000 0.508 168 G HA3 0.033 3.993 3.960 0.001 0.000 0.508 168 G C -0.481 174.597 174.900 0.296 0.000 1.143 168 G CA -0.122 45.083 45.100 0.176 0.000 1.277 168 G HN 0.636 nan 8.290 nan 0.000 0.599 169 T N 0.418 115.125 114.554 0.256 0.000 2.901 169 T HA 0.738 5.089 4.350 0.001 0.000 0.293 169 T C 1.095 175.944 174.700 0.248 0.000 1.084 169 T CA -0.232 62.024 62.100 0.259 0.000 1.008 169 T CB 1.267 70.315 68.868 0.300 0.000 1.170 169 T HN 1.327 nan 8.240 nan 0.000 0.509 170 I N -0.028 120.668 120.570 0.210 0.000 3.947 170 I HA 0.526 4.697 4.170 0.001 0.000 0.327 170 I C -0.049 176.156 176.117 0.146 0.000 1.519 170 I CA -0.579 60.809 61.300 0.147 0.000 1.122 170 I CB 0.239 38.275 38.000 0.060 0.000 1.146 170 I HN 0.337 nan 8.210 nan 0.000 0.442 171 D N 1.426 121.946 120.400 0.199 0.000 2.312 171 D HA 0.202 4.843 4.640 0.001 0.000 0.248 171 D C 0.535 176.930 176.300 0.157 0.000 1.086 171 D CA 0.198 54.322 54.000 0.208 0.000 0.948 171 D CB 0.753 41.750 40.800 0.328 0.000 1.162 171 D HN 0.206 nan 8.370 nan 0.000 0.446 172 N N 2.162 120.939 118.700 0.128 0.000 2.693 172 N HA -0.209 4.532 4.740 0.001 0.000 0.249 172 N C -0.846 174.707 175.510 0.072 0.000 1.119 172 N CA 1.200 54.301 53.050 0.085 0.000 0.717 172 N CB -0.759 37.759 38.487 0.051 0.000 1.071 172 N HN 0.565 nan 8.380 nan 0.000 0.555 173 D N -4.613 115.852 120.400 0.108 0.000 3.070 173 D HA -0.182 4.459 4.640 0.001 0.000 0.210 173 D C 0.432 176.747 176.300 0.024 0.000 1.103 173 D CA 1.312 55.354 54.000 0.071 0.000 0.980 173 D CB -1.520 39.281 40.800 0.002 0.000 1.100 173 D HN 0.728 nan 8.370 nan 0.000 0.423 174 A N -0.495 122.361 122.820 0.061 0.000 2.429 174 A HA 0.490 4.810 4.320 0.001 0.000 0.242 174 A C 1.757 179.387 177.584 0.076 0.000 1.088 174 A CA 1.491 53.566 52.037 0.063 0.000 0.784 174 A CB 0.296 19.372 19.000 0.125 0.000 1.038 174 A HN 0.397 nan 8.150 nan 0.000 0.501 175 T N -0.418 114.197 114.554 0.102 0.000 12.278 175 T HA -0.302 4.048 4.350 0.001 0.000 0.418 175 T C 1.445 176.168 174.700 0.040 0.000 1.446 175 T CA 2.100 64.326 62.100 0.209 0.000 2.394 175 T CB -1.948 67.072 68.868 0.253 0.000 2.852 175 T HN 0.847 nan 8.240 nan 0.000 0.835 176 V N 1.536 121.459 119.914 0.015 0.000 2.343 176 V HA -0.222 3.898 4.120 0.001 0.000 0.247 176 V C 2.646 178.701 176.094 -0.064 0.000 1.051 176 V CA 2.852 65.136 62.300 -0.026 0.000 1.036 176 V CB -1.052 30.739 31.823 -0.053 0.000 0.654 176 V HN 0.743 nan 8.190 nan 0.000 0.451 177 T N -0.523 113.966 114.554 -0.107 0.000 2.708 177 T HA -0.207 4.143 4.350 0.001 0.000 0.266 177 T C 1.850 176.463 174.700 -0.145 0.000 1.037 177 T CA 1.696 63.730 62.100 -0.111 0.000 1.146 177 T CB -0.263 68.531 68.868 -0.124 0.000 0.865 177 T HN 0.482 nan 8.240 nan 0.000 0.435 178 E N 0.754 120.737 120.200 -0.362 0.000 2.130 178 E HA -0.069 4.282 4.350 0.001 0.000 0.196 178 E C 2.028 178.405 176.600 -0.372 0.000 0.998 178 E CA 0.900 56.927 56.400 -0.622 0.000 0.806 178 E CB -0.379 28.337 29.700 -1.641 0.000 0.738 178 E HN 0.508 nan 8.360 nan 0.000 0.459 179 I N 0.114 120.557 120.570 -0.212 0.000 2.353 179 I HA -0.222 3.948 4.170 0.001 0.000 0.248 179 I C 2.298 178.554 176.117 0.232 0.000 1.119 179 I CA 0.903 62.272 61.300 0.114 0.000 1.417 179 I CB -0.150 37.987 38.000 0.230 0.000 1.078 179 I HN 0.032 nan 8.210 nan 0.000 0.421 180 R N -0.017 120.588 120.500 0.176 0.000 2.075 180 R HA -0.157 4.184 4.340 0.001 0.000 0.232 180 R C 2.331 178.639 176.300 0.013 0.000 1.126 180 R CA 1.517 57.704 56.100 0.145 0.000 0.963 180 R CB -0.401 29.962 30.300 0.106 0.000 0.858 180 R HN 0.221 nan 8.270 nan 0.000 0.435 181 F N 1.158 121.063 119.950 -0.076 0.000 2.102 181 F HA -0.212 4.315 4.527 0.001 0.000 0.298 181 F C 1.970 177.715 175.800 -0.092 0.000 1.105 181 F CA 1.156 59.121 58.000 -0.058 0.000 1.239 181 F CB -0.208 38.772 39.000 -0.034 0.000 0.991 181 F HN -0.097 nan 8.300 nan 0.000 0.474 182 L N 0.619 121.918 121.223 0.125 0.000 2.013 182 L HA -0.231 4.109 4.340 0.001 0.000 0.212 182 L C 2.649 179.459 176.870 -0.099 0.000 1.073 182 L CA 2.129 57.003 54.840 0.057 0.000 0.753 182 L CB -1.716 40.443 42.059 0.167 0.000 0.890 182 L HN 0.248 nan 8.230 nan 0.000 0.432 183 A N -1.975 120.760 122.820 -0.141 0.000 1.969 183 A HA -0.193 4.128 4.320 0.001 0.000 0.218 183 A C 2.147 179.497 177.584 -0.390 0.000 1.169 183 A CA 1.141 52.998 52.037 -0.301 0.000 0.635 183 A CB -0.326 18.148 19.000 -0.876 0.000 0.810 183 A HN 0.477 nan 8.150 nan 0.000 0.445 184 Q N -0.240 119.260 119.800 -0.499 0.000 2.046 184 Q HA -0.095 4.246 4.340 0.001 0.000 0.200 184 Q C 2.386 178.031 176.000 -0.592 0.000 0.975 184 Q CA 1.607 56.988 55.803 -0.703 0.000 0.836 184 Q CB -0.893 27.113 28.738 -1.219 0.000 0.896 184 Q HN 0.457 nan 8.270 nan 0.000 0.428 185 V N 0.509 120.109 119.914 -0.523 0.000 2.255 185 V HA -0.252 3.869 4.120 0.001 0.000 0.247 185 V C 2.561 178.506 176.094 -0.248 0.000 1.051 185 V CA 1.609 63.703 62.300 -0.343 0.000 1.018 185 V CB -0.816 30.754 31.823 -0.421 0.000 0.641 185 V HN 0.098 nan 8.190 nan 0.000 0.445 186 V N 1.107 120.881 119.914 -0.232 0.000 2.252 186 V HA -0.304 3.817 4.120 0.001 0.000 0.249 186 V C 2.711 178.719 176.094 -0.142 0.000 1.056 186 V CA 2.607 64.802 62.300 -0.176 0.000 1.022 186 V CB -1.076 30.583 31.823 -0.273 0.000 0.641 186 V HN 0.804 nan 8.190 nan 0.000 0.445 187 S N -0.600 115.008 115.700 -0.154 0.000 2.493 187 S HA -0.226 4.245 4.470 0.001 0.000 0.243 187 S C 1.558 176.102 174.600 -0.094 0.000 0.991 187 S CA 1.299 59.432 58.200 -0.111 0.000 0.957 187 S CB -0.270 62.842 63.200 -0.148 0.000 0.756 187 S HN 0.674 nan 8.310 nan 0.000 0.521 188 Q N 0.034 119.772 119.800 -0.103 0.000 2.217 188 Q HA 0.489 4.830 4.340 0.001 0.000 0.217 188 Q C 0.139 176.109 176.000 -0.049 0.000 0.844 188 Q CA 0.030 55.797 55.803 -0.060 0.000 0.957 188 Q CB 0.521 29.239 28.738 -0.032 0.000 1.127 188 Q HN 0.539 nan 8.270 nan 0.000 0.503 189 L N -0.241 120.949 121.223 -0.055 0.000 2.298 189 L HA 0.700 5.041 4.340 0.001 0.000 0.268 189 L C 0.039 176.894 176.870 -0.024 0.000 1.010 189 L CA -1.287 53.532 54.840 -0.036 0.000 0.812 189 L CB 1.018 43.062 42.059 -0.025 0.000 1.331 189 L HN -0.112 nan 8.230 nan 0.000 0.450 190 A N 0.543 123.355 122.820 -0.013 0.000 2.401 190 A HA 0.378 4.698 4.320 0.001 0.000 0.259 190 A C -1.897 175.679 177.584 -0.013 0.000 1.103 190 A CA -1.157 50.874 52.037 -0.010 0.000 0.789 190 A CB 0.200 19.196 19.000 -0.006 0.000 1.035 190 A HN 0.547 nan 8.150 nan 0.000 0.491 191 P HA -0.243 nan 4.420 nan 0.000 0.216 191 P C 1.281 178.566 177.300 -0.024 0.000 1.154 191 P CA 1.752 64.839 63.100 -0.021 0.000 0.865 191 P CB 0.159 31.857 31.700 -0.005 0.000 0.789 192 E N 0.719 120.910 120.200 -0.015 0.000 2.418 192 E HA -0.192 4.159 4.350 0.001 0.000 0.197 192 E C 1.208 177.796 176.600 -0.020 0.000 1.026 192 E CA 1.045 57.435 56.400 -0.017 0.000 0.862 192 E CB -0.627 29.067 29.700 -0.011 0.000 0.799 192 E HN 0.522 nan 8.360 nan 0.000 0.518 193 E N 0.170 120.363 120.200 -0.012 0.000 2.548 193 E HA 0.350 4.701 4.350 0.001 0.000 0.206 193 E C 0.658 177.272 176.600 0.023 0.000 1.005 193 E CA 0.199 56.600 56.400 0.001 0.000 0.951 193 E CB 0.680 30.391 29.700 0.018 0.000 1.035 193 E HN 0.182 nan 8.360 nan 0.000 0.470 194 A N 0.652 123.469 122.820 -0.005 0.000 2.616 194 A HA 0.667 4.987 4.320 0.001 0.000 0.294 194 A C 1.564 179.084 177.584 -0.107 0.000 1.091 194 A CA 0.299 52.356 52.037 0.032 0.000 0.971 194 A CB 0.301 19.327 19.000 0.043 0.000 1.222 194 A HN 0.283 nan 8.150 nan 0.000 0.521 195 A N 1.517 124.248 122.820 -0.148 0.000 1.877 195 A HA 0.038 4.358 4.320 0.001 0.000 0.216 195 A C 0.019 177.484 177.584 -0.198 0.000 1.186 195 A CA 1.931 53.878 52.037 -0.150 0.000 0.620 195 A CB -1.306 17.630 19.000 -0.107 0.000 0.822 195 A HN 0.410 nan 8.150 nan 0.000 0.443 196 P HA -0.164 nan 4.420 nan 0.000 0.215 196 P C 0.853 177.984 177.300 -0.283 0.000 1.157 196 P CA 1.295 64.176 63.100 -0.365 0.000 0.868 196 P CB -0.226 31.131 31.700 -0.571 0.000 0.788 197 Y N -0.525 119.761 120.300 -0.024 0.000 2.242 197 Y HA -0.078 4.472 4.550 0.001 0.000 0.291 197 Y C 2.528 178.395 175.900 -0.055 0.000 1.137 197 Y CA 0.836 58.928 58.100 -0.014 0.000 1.181 197 Y CB -1.155 37.275 38.460 -0.050 0.000 0.989 197 Y HN -0.138 nan 8.280 nan 0.000 0.527 198 R N 0.162 120.611 120.500 -0.084 0.000 2.066 198 R HA -0.140 4.201 4.340 0.001 0.000 0.232 198 R C 1.655 177.979 176.300 0.040 0.000 1.131 198 R CA 1.583 57.524 56.100 -0.265 0.000 0.955 198 R CB -0.380 29.624 30.300 -0.494 0.000 0.851 198 R HN 0.331 nan 8.270 nan 0.000 0.432 199 D N 0.574 120.987 120.400 0.022 0.000 2.123 199 D HA -0.137 4.503 4.640 0.001 0.000 0.196 199 D C 1.700 178.073 176.300 0.122 0.000 0.992 199 D CA 1.490 55.532 54.000 0.070 0.000 0.833 199 D CB -0.184 40.624 40.800 0.013 0.000 0.954 199 D HN 0.241 nan 8.370 nan 0.000 0.455 200 A N 0.735 123.642 122.820 0.145 0.000 2.014 200 A HA 0.091 4.412 4.320 0.001 0.000 0.218 200 A C 2.264 180.051 177.584 0.339 0.000 1.163 200 A CA 1.696 53.865 52.037 0.220 0.000 0.652 200 A CB -0.415 18.764 19.000 0.298 0.000 0.808 200 A HN 0.224 nan 8.150 nan 0.000 0.449 201 A N -0.415 122.615 122.820 0.350 0.000 1.873 201 A HA 0.047 4.367 4.320 0.001 0.000 0.215 201 A C 1.921 179.745 177.584 0.401 0.000 1.186 201 A CA 1.506 53.810 52.037 0.446 0.000 0.616 201 A CB -0.471 18.854 19.000 0.542 0.000 0.823 201 A HN 0.361 nan 8.150 nan 0.000 0.442 202 L N -0.037 121.398 121.223 0.354 0.000 2.083 202 L HA -0.103 4.238 4.340 0.001 0.000 0.209 202 L C 2.264 179.244 176.870 0.185 0.000 1.083 202 L CA 1.825 56.822 54.840 0.262 0.000 0.752 202 L CB -1.029 41.174 42.059 0.240 0.000 0.899 202 L HN 0.381 nan 8.230 nan 0.000 0.433 203 K N -0.869 119.630 120.400 0.165 0.000 2.057 203 K HA -0.101 4.220 4.320 0.001 0.000 0.207 203 K C 2.084 178.765 176.600 0.134 0.000 1.049 203 K CA 1.209 57.560 56.287 0.107 0.000 0.931 203 K CB -0.570 31.952 32.500 0.036 0.000 0.714 203 K HN 0.412 nan 8.250 nan 0.000 0.440 204 G N 1.297 110.215 108.800 0.196 0.000 2.422 204 G HA2 -0.229 3.731 3.960 0.001 0.000 0.218 204 G HA3 -0.229 3.731 3.960 0.001 0.000 0.218 204 G C 1.476 176.534 174.900 0.264 0.000 1.146 204 G CA 0.726 45.992 45.100 0.277 0.000 0.769 204 G HN 0.158 nan 8.290 nan 0.000 0.547 205 I N 0.484 121.174 120.570 0.200 0.000 2.439 205 I HA -0.067 4.104 4.170 0.001 0.000 0.251 205 I C 2.555 178.727 176.117 0.093 0.000 1.139 205 I CA 0.740 62.104 61.300 0.107 0.000 1.438 205 I CB -0.072 37.954 38.000 0.043 0.000 1.085 205 I HN 0.121 nan 8.210 nan 0.000 0.427 206 E N 0.244 120.509 120.200 0.108 0.000 2.150 206 E HA -0.236 4.114 4.350 0.001 0.000 0.193 206 E C 1.936 178.568 176.600 0.054 0.000 0.985 206 E CA 1.149 57.590 56.400 0.068 0.000 0.814 206 E CB -0.330 29.415 29.700 0.074 0.000 0.752 206 E HN 0.567 nan 8.360 nan 0.000 0.466 207 Y N 1.741 122.031 120.300 -0.017 0.000 2.114 207 Y HA -0.175 4.376 4.550 0.001 0.000 0.284 207 Y C 2.215 178.031 175.900 -0.140 0.000 1.143 207 Y CA 1.496 59.564 58.100 -0.054 0.000 1.135 207 Y CB -0.374 38.100 38.460 0.023 0.000 0.980 207 Y HN -0.099 nan 8.280 nan 0.000 0.499 208 L N -0.185 121.099 121.223 0.101 0.000 2.191 208 L HA -0.232 4.108 4.340 0.001 0.000 0.212 208 L C 2.364 179.288 176.870 0.091 0.000 1.103 208 L CA 1.008 55.868 54.840 0.033 0.000 0.769 208 L CB -0.535 41.537 42.059 0.022 0.000 0.908 208 L HN 0.360 nan 8.230 nan 0.000 0.438 209 L N -0.672 120.549 121.223 -0.004 0.000 2.131 209 L HA -0.093 4.247 4.340 0.001 0.000 0.206 209 L C 2.804 179.564 176.870 -0.184 0.000 1.087 209 L CA 0.909 55.735 54.840 -0.024 0.000 0.767 209 L CB -0.511 41.534 42.059 -0.023 0.000 0.917 209 L HN 0.210 nan 8.230 nan 0.000 0.441 210 A N -0.134 122.486 122.820 -0.335 0.000 1.929 210 A HA -0.151 4.170 4.320 0.001 0.000 0.216 210 A C 2.432 179.512 177.584 -0.840 0.000 1.176 210 A CA 1.553 53.298 52.037 -0.487 0.000 0.628 210 A CB -0.476 18.240 19.000 -0.472 0.000 0.816 210 A HN 0.479 nan 8.150 nan 0.000 0.444 211 S N -0.712 114.236 115.700 -1.255 0.000 2.522 211 S HA -0.022 4.449 4.470 0.001 0.000 0.227 211 S C 0.961 175.182 174.600 -0.632 0.000 0.986 211 S CA 0.340 57.658 58.200 -1.470 0.000 0.929 211 S CB -0.470 61.828 63.200 -1.504 0.000 0.769 211 S HN 0.652 nan 8.310 nan 0.000 0.529 212 Q N 0.734 120.151 119.800 -0.638 0.000 2.311 212 Q HA 0.232 4.573 4.340 0.001 0.000 0.272 212 Q C -0.783 174.764 176.000 -0.755 0.000 1.012 212 Q CA -0.317 54.756 55.803 -1.217 0.000 0.891 212 Q CB 0.251 28.253 28.738 -1.227 0.000 1.201 212 Q HN 0.512 nan 8.270 nan 0.000 0.391 213 F N 4.640 124.066 119.950 -0.874 0.000 2.535 213 F HA 0.018 4.545 4.527 0.001 0.000 0.332 213 F C -1.144 174.086 175.800 -0.950 0.000 1.208 213 F CA -1.816 55.553 58.000 -1.053 0.000 1.330 213 F CB 0.314 38.888 39.000 -0.711 0.000 1.167 213 F HN 0.618 nan 8.300 nan 0.000 0.597 214 P HA -0.162 nan 4.420 nan 0.000 0.221 214 P C 0.371 177.435 177.300 -0.394 0.000 1.145 214 P CA 1.240 63.883 63.100 -0.760 0.000 0.795 214 P CB 0.013 31.000 31.700 -1.189 0.000 0.775 215 N N -1.591 116.948 118.700 -0.269 0.000 2.279 215 N HA 0.100 4.840 4.740 0.001 0.000 0.226 215 N C 1.138 176.597 175.510 -0.086 0.000 1.126 215 N CA 0.508 53.523 53.050 -0.058 0.000 0.846 215 N CB -0.395 38.154 38.487 0.104 0.000 1.050 215 N HN 0.127 nan 8.380 nan 0.000 0.502 216 G N -0.832 107.837 108.800 -0.217 0.000 2.225 216 G HA2 -0.249 3.711 3.960 0.001 0.000 0.254 216 G HA3 -0.249 3.711 3.960 0.001 0.000 0.254 216 G C 0.482 175.121 174.900 -0.435 0.000 0.988 216 G CA 0.111 45.028 45.100 -0.305 0.000 0.625 216 G HN 0.774 nan 8.290 nan 0.000 0.527 217 G N -1.591 107.073 108.800 -0.227 0.000 2.611 217 G HA2 0.427 4.388 3.960 0.001 0.000 0.273 217 G HA3 0.427 4.388 3.960 0.001 0.000 0.273 217 G C -0.332 174.158 174.900 -0.683 0.000 1.305 217 G CA -0.064 44.932 45.100 -0.172 0.000 1.010 217 G HN 0.342 nan 8.290 nan 0.000 0.509 218 W N -0.186 120.826 121.300 -0.481 0.000 2.998 218 W HA 0.383 5.044 4.660 0.001 0.000 0.335 218 W C -2.302 173.879 176.519 -0.562 0.000 1.110 218 W CA -1.550 55.385 57.345 -0.683 0.000 1.230 218 W CB 2.440 31.679 29.460 -0.368 0.000 1.405 218 W HN 0.316 nan 8.180 nan 0.000 0.493 219 P HA 0.093 nan 4.420 nan 0.000 0.284 219 P C 0.161 177.550 177.300 0.150 0.000 1.258 219 P CA -0.036 63.103 63.100 0.066 0.000 0.824 219 P CB 1.874 33.714 31.700 0.234 0.000 1.038 220 Q N 1.118 121.024 119.800 0.176 0.000 2.167 220 Q HA 0.008 4.349 4.340 0.001 0.000 0.202 220 Q C -0.271 175.807 176.000 0.130 0.000 0.970 220 Q CA 1.283 57.183 55.803 0.162 0.000 0.855 220 Q CB 0.166 29.027 28.738 0.205 0.000 0.911 220 Q HN 0.257 nan 8.270 nan 0.000 0.438 221 V N 0.025 120.010 119.914 0.117 0.000 2.789 221 V HA 0.506 4.626 4.120 0.001 0.000 0.311 221 V C -1.590 174.661 176.094 0.262 0.000 1.073 221 V CA -0.785 61.566 62.300 0.087 0.000 0.921 221 V CB 1.826 33.525 31.823 -0.207 0.000 1.009 221 V HN 0.415 nan 8.190 nan 0.000 0.426 222 W N 5.934 127.291 121.300 0.095 0.000 3.800 222 W HA 0.570 5.231 4.660 0.001 0.000 0.299 222 W C -2.955 173.638 176.519 0.124 0.000 1.231 222 W CA -1.406 55.975 57.345 0.059 0.000 1.232 222 W CB 1.959 31.384 29.460 -0.059 0.000 1.291 222 W HN 0.373 nan 8.180 nan 0.000 0.514 223 P HA -0.014 nan 4.420 nan 0.000 0.266 223 P C -0.128 176.919 177.300 -0.423 0.000 1.186 223 P CA 0.415 62.790 63.100 -1.209 0.000 0.767 223 P CB 0.507 31.702 31.700 -0.842 0.000 0.820 224 L N 2.346 123.389 121.223 -0.299 0.000 2.640 224 L HA -0.108 4.232 4.340 0.001 0.000 0.280 224 L C 1.657 178.528 176.870 0.000 0.000 1.229 224 L CA 0.795 55.642 54.840 0.012 0.000 0.919 224 L CB -0.105 42.027 42.059 0.122 0.000 1.168 224 L HN 0.594 nan 8.230 nan 0.000 0.496 225 E N 2.171 122.395 120.200 0.040 0.000 2.431 225 E HA 0.197 4.548 4.350 0.001 0.000 0.200 225 E C 0.752 177.405 176.600 0.088 0.000 0.995 225 E CA 0.526 56.951 56.400 0.042 0.000 0.915 225 E CB 0.509 30.180 29.700 -0.049 0.000 0.930 225 E HN 0.856 nan 8.360 nan 0.000 0.496 226 G N -0.522 108.339 108.800 0.102 0.000 2.655 226 G HA2 0.140 4.101 3.960 0.001 0.000 0.680 226 G HA3 0.140 4.101 3.960 0.001 0.000 0.680 226 G C 0.513 175.456 174.900 0.071 0.000 1.302 226 G CA -0.647 44.508 45.100 0.092 0.000 0.872 226 G HN 0.886 nan 8.290 nan 0.000 0.540 227 G N -1.082 107.736 108.800 0.030 0.000 2.601 227 G HA2 0.081 4.041 3.960 0.001 0.000 0.261 227 G HA3 0.081 4.041 3.960 0.001 0.000 0.261 227 G C 0.907 175.760 174.900 -0.078 0.000 1.289 227 G CA 1.855 46.934 45.100 -0.034 0.000 0.920 227 G HN 2.537 nan 8.290 nan 0.000 0.571 228 Y N -0.888 119.306 120.300 -0.176 0.000 2.639 228 Y HA 0.130 4.680 4.550 0.001 0.000 0.297 228 Y C 2.307 178.141 175.900 -0.110 0.000 1.151 228 Y CA 1.774 59.782 58.100 -0.153 0.000 1.335 228 Y CB -0.415 37.926 38.460 -0.197 0.000 0.994 228 Y HN 0.562 nan 8.280 nan 0.000 0.548 229 H N 0.114 118.941 119.070 -0.406 0.000 2.524 229 H HA -0.038 4.519 4.556 0.001 0.000 0.282 229 H C 0.501 175.839 175.328 0.017 0.000 1.016 229 H CA 1.244 57.128 56.048 -0.273 0.000 1.270 229 H CB -0.025 29.509 29.762 -0.380 0.000 1.394 229 H HN 0.511 nan 8.280 nan 0.000 0.568 230 D N 0.444 120.945 120.400 0.168 0.000 2.340 230 D HA 0.147 4.788 4.640 0.001 0.000 0.220 230 D C 0.787 177.284 176.300 0.328 0.000 1.039 230 D CA 0.065 54.233 54.000 0.281 0.000 0.866 230 D CB 0.203 41.123 40.800 0.200 0.000 0.913 230 D HN 0.260 nan 8.370 nan 0.000 0.523 231 A N 0.309 123.282 122.820 0.256 0.000 2.302 231 A HA 0.404 4.724 4.320 0.001 0.000 0.285 231 A C 0.277 178.043 177.584 0.303 0.000 1.105 231 A CA -0.535 51.649 52.037 0.246 0.000 0.816 231 A CB 0.333 19.448 19.000 0.192 0.000 1.067 231 A HN 0.137 nan 8.150 nan 0.000 0.489 232 I N 2.100 122.842 120.570 0.286 0.000 2.680 232 I HA -0.008 4.163 4.170 0.001 0.000 0.286 232 I C 0.158 176.224 176.117 -0.086 0.000 1.144 232 I CA 0.558 61.944 61.300 0.144 0.000 1.370 232 I CB -0.125 37.900 38.000 0.042 0.000 1.420 232 I HN 0.511 nan 8.210 nan 0.000 0.540 233 T N 6.800 121.319 114.554 -0.058 0.000 2.739 233 T HA 0.180 4.531 4.350 0.001 0.000 0.298 233 T C 0.696 175.321 174.700 -0.125 0.000 0.929 233 T CA -0.071 62.011 62.100 -0.029 0.000 1.014 233 T CB 0.280 69.209 68.868 0.101 0.000 0.914 233 T HN 0.369 nan 8.240 nan 0.000 0.509 234 Y N 1.356 121.714 120.300 0.097 0.000 2.476 234 Y HA 0.123 4.674 4.550 0.001 0.000 0.283 234 Y C 1.675 177.576 175.900 0.001 0.000 1.109 234 Y CA -0.716 57.385 58.100 0.002 0.000 1.246 234 Y CB 0.222 38.684 38.460 0.003 0.000 1.068 234 Y HN 0.479 nan 8.280 nan 0.000 0.552 235 N N 1.886 120.711 118.700 0.210 0.000 2.217 235 N HA -0.173 4.568 4.740 0.001 0.000 0.268 235 N C -0.016 175.552 175.510 0.096 0.000 1.290 235 N CA 1.088 54.235 53.050 0.162 0.000 0.831 235 N CB -0.027 38.580 38.487 0.200 0.000 1.057 235 N HN 0.267 nan 8.380 nan 0.000 0.481 236 D N 2.407 122.837 120.400 0.050 0.000 3.041 236 D HA -0.215 4.426 4.640 0.001 0.000 0.220 236 D C -0.577 175.672 176.300 -0.085 0.000 1.157 236 D CA 1.397 55.405 54.000 0.013 0.000 0.876 236 D CB -1.286 39.556 40.800 0.071 0.000 1.107 236 D HN 0.814 nan 8.370 nan 0.000 0.422 237 D N -3.374 116.928 120.400 -0.163 0.000 3.077 237 D HA -0.282 4.358 4.640 0.001 0.000 0.212 237 D C 1.348 177.380 176.300 -0.448 0.000 1.125 237 D CA 1.288 55.031 54.000 -0.429 0.000 0.970 237 D CB -1.269 39.026 40.800 -0.842 0.000 1.110 237 D HN 0.572 nan 8.370 nan 0.000 0.419 238 A N 0.707 123.432 122.820 -0.159 0.000 1.859 238 A HA -0.216 4.105 4.320 0.001 0.000 0.218 238 A C 2.360 179.855 177.584 -0.149 0.000 1.209 238 A CA 2.073 54.063 52.037 -0.078 0.000 0.639 238 A CB -0.762 18.246 19.000 0.013 0.000 0.835 238 A HN 0.431 nan 8.150 nan 0.000 0.450 239 L N -0.486 120.664 121.223 -0.121 0.000 2.093 239 L HA -0.116 4.225 4.340 0.001 0.000 0.208 239 L C 2.401 179.111 176.870 -0.268 0.000 1.085 239 L CA 1.321 56.078 54.840 -0.139 0.000 0.755 239 L CB -0.151 41.898 42.059 -0.016 0.000 0.904 239 L HN 0.239 nan 8.230 nan 0.000 0.435 240 V N -0.516 119.200 119.914 -0.331 0.000 2.343 240 V HA -0.307 3.813 4.120 0.001 0.000 0.247 240 V C 2.508 178.379 176.094 -0.373 0.000 1.051 240 V CA 1.776 63.741 62.300 -0.558 0.000 1.036 240 V CB -0.925 30.601 31.823 -0.495 0.000 0.654 240 V HN 0.523 nan 8.190 nan 0.000 0.451 241 H N -0.364 118.554 119.070 -0.252 0.000 2.387 241 H HA -0.082 4.474 4.556 0.001 0.000 0.299 241 H C 2.331 177.509 175.328 -0.250 0.000 1.090 241 H CA 1.620 57.554 56.048 -0.190 0.000 1.332 241 H CB -0.589 29.095 29.762 -0.130 0.000 1.386 241 H HN 0.289 nan 8.280 nan 0.000 0.516 242 V N 0.877 120.639 119.914 -0.252 0.000 2.295 242 V HA -0.220 3.901 4.120 0.001 0.000 0.246 242 V C 2.719 178.546 176.094 -0.445 0.000 1.049 242 V CA 1.621 63.619 62.300 -0.503 0.000 1.024 242 V CB -1.055 30.129 31.823 -1.065 0.000 0.648 242 V HN 0.489 nan 8.190 nan 0.000 0.447 243 A N -0.460 122.135 122.820 -0.376 0.000 1.969 243 A HA -0.210 4.110 4.320 0.001 0.000 0.218 243 A C 2.153 179.745 177.584 0.013 0.000 1.169 243 A CA 1.713 53.659 52.037 -0.151 0.000 0.635 243 A CB -0.398 18.479 19.000 -0.205 0.000 0.810 243 A HN 0.639 nan 8.150 nan 0.000 0.445 244 E N -0.797 119.403 120.200 -0.001 0.000 2.152 244 E HA -0.116 4.235 4.350 0.001 0.000 0.192 244 E C 1.891 178.508 176.600 0.028 0.000 0.983 244 E CA 0.887 57.368 56.400 0.135 0.000 0.818 244 E CB -0.184 29.611 29.700 0.159 0.000 0.758 244 E HN 0.506 nan 8.360 nan 0.000 0.467 245 L N 0.989 122.177 121.223 -0.058 0.000 2.005 245 L HA -0.167 4.173 4.340 0.001 0.000 0.207 245 L C 1.943 178.696 176.870 -0.195 0.000 1.072 245 L CA 1.571 56.337 54.840 -0.125 0.000 0.744 245 L CB -0.471 41.495 42.059 -0.154 0.000 0.895 245 L HN 0.101 nan 8.230 nan 0.000 0.433 246 L N -0.617 120.511 121.223 -0.158 0.000 2.083 246 L HA -0.157 4.183 4.340 0.001 0.000 0.209 246 L C 2.775 179.600 176.870 -0.075 0.000 1.083 246 L CA 1.820 56.583 54.840 -0.128 0.000 0.752 246 L CB -1.969 40.069 42.059 -0.035 0.000 0.899 246 L HN 0.427 nan 8.230 nan 0.000 0.433 247 S N -0.343 115.352 115.700 -0.007 0.000 2.353 247 S HA -0.195 4.276 4.470 0.001 0.000 0.222 247 S C 1.645 176.238 174.600 -0.012 0.000 1.035 247 S CA 1.576 59.792 58.200 0.027 0.000 1.025 247 S CB -0.070 63.185 63.200 0.092 0.000 0.902 247 S HN 0.436 nan 8.310 nan 0.000 0.440 248 D N 1.143 121.531 120.400 -0.019 0.000 2.123 248 D HA -0.078 4.563 4.640 0.001 0.000 0.196 248 D C 1.882 178.152 176.300 -0.049 0.000 0.992 248 D CA 1.107 55.108 54.000 0.003 0.000 0.833 248 D CB -0.426 40.413 40.800 0.066 0.000 0.954 248 D HN 0.466 nan 8.370 nan 0.000 0.455 249 I N 1.087 121.514 120.570 -0.238 0.000 2.179 249 I HA -0.251 3.920 4.170 0.001 0.000 0.242 249 I C 2.518 178.554 176.117 -0.134 0.000 1.088 249 I CA 0.994 62.101 61.300 -0.321 0.000 1.357 249 I CB -0.336 37.365 38.000 -0.499 0.000 1.051 249 I HN -0.075 nan 8.210 nan 0.000 0.409 250 A N 0.884 123.646 122.820 -0.097 0.000 1.948 250 A HA -0.201 4.120 4.320 0.001 0.000 0.220 250 A C 2.429 179.997 177.584 -0.027 0.000 1.177 250 A CA 2.109 54.116 52.037 -0.049 0.000 0.636 250 A CB -0.734 18.251 19.000 -0.024 0.000 0.815 250 A HN 0.472 nan 8.150 nan 0.000 0.449 251 A N -2.122 120.690 122.820 -0.014 0.000 2.169 251 A HA 0.400 4.721 4.320 0.001 0.000 0.212 251 A C 1.888 179.481 177.584 0.014 0.000 1.153 251 A CA 1.253 53.293 52.037 0.004 0.000 0.756 251 A CB -0.879 18.130 19.000 0.015 0.000 0.813 251 A HN 1.966 nan 8.150 nan 0.000 0.471 252 G N -0.683 108.129 108.800 0.020 0.000 2.160 252 G HA2 -0.265 3.696 3.960 0.001 0.000 0.251 252 G HA3 -0.265 3.696 3.960 0.001 0.000 0.251 252 G C 0.309 175.255 174.900 0.077 0.000 1.008 252 G CA 0.540 45.664 45.100 0.040 0.000 0.724 252 G HN 0.666 nan 8.290 nan 0.000 0.514 253 R N -0.284 120.283 120.500 0.112 0.000 2.606 253 R HA 0.527 4.868 4.340 0.001 0.000 0.249 253 R C 0.677 177.061 176.300 0.140 0.000 1.127 253 R CA -0.305 55.853 56.100 0.097 0.000 1.133 253 R CB 0.383 30.724 30.300 0.069 0.000 1.243 253 R HN 0.132 nan 8.270 nan 0.000 0.558 254 D N -0.359 120.060 120.400 0.032 0.000 2.837 254 D HA -0.188 4.453 4.640 0.001 0.000 0.230 254 D C 0.586 176.720 176.300 -0.276 0.000 1.152 254 D CA 1.500 55.463 54.000 -0.062 0.000 0.736 254 D CB -1.107 39.719 40.800 0.044 0.000 1.084 254 D HN 1.021 nan 8.370 nan 0.000 0.429 255 G N -0.993 107.679 108.800 -0.212 0.000 2.157 255 G HA2 -0.348 3.613 3.960 0.001 0.000 0.239 255 G HA3 -0.348 3.613 3.960 0.001 0.000 0.239 255 G C 0.487 175.219 174.900 -0.279 0.000 0.982 255 G CA 0.137 45.081 45.100 -0.260 0.000 0.650 255 G HN 0.419 nan 8.290 nan 0.000 0.527 256 F N 1.434 121.352 119.950 -0.053 0.000 2.645 256 F HA 0.358 4.886 4.527 0.001 0.000 0.300 256 F C 2.332 177.897 175.800 -0.392 0.000 1.115 256 F CA 0.416 58.220 58.000 -0.327 0.000 1.355 256 F CB 0.480 39.322 39.000 -0.265 0.000 1.026 256 F HN 0.194 nan 8.300 nan 0.000 0.536 257 G N 0.791 109.570 108.800 -0.036 0.000 2.479 257 G HA2 -0.317 3.644 3.960 0.001 0.000 0.220 257 G HA3 -0.317 3.644 3.960 0.001 0.000 0.220 257 G C 1.435 176.332 174.900 -0.004 0.000 1.115 257 G CA 0.775 45.872 45.100 -0.005 0.000 0.757 257 G HN 0.551 nan 8.290 nan 0.000 0.560 258 F N 0.528 120.516 119.950 0.062 0.000 2.748 258 F HA 0.400 4.928 4.527 0.001 0.000 0.299 258 F C 0.495 176.344 175.800 0.081 0.000 1.154 258 F CA -1.068 56.967 58.000 0.058 0.000 1.446 258 F CB -0.523 38.504 39.000 0.046 0.000 1.112 258 F HN -0.174 nan 8.300 nan 0.000 0.584 259 V N 3.805 123.403 119.914 -0.527 0.000 2.479 259 V HA 0.142 4.263 4.120 0.001 0.000 0.281 259 V C -1.856 174.188 176.094 -0.084 0.000 1.031 259 V CA -1.758 60.357 62.300 -0.309 0.000 1.038 259 V CB -0.011 31.609 31.823 -0.338 0.000 0.981 259 V HN 0.000 nan 8.190 nan 0.000 0.478 260 P HA 0.042 nan 4.420 nan 0.000 0.264 260 P C -2.029 175.266 177.300 -0.007 0.000 1.179 260 P CA -0.715 62.394 63.100 0.015 0.000 0.763 260 P CB 0.033 31.754 31.700 0.035 0.000 0.806 261 P HA -0.218 nan 4.420 nan 0.000 0.216 261 P C 1.254 178.549 177.300 -0.008 0.000 1.150 261 P CA 1.857 64.953 63.100 -0.007 0.000 0.837 261 P CB -0.243 31.457 31.700 0.000 0.000 0.786 262 A N -0.612 122.207 122.820 -0.001 0.000 1.908 262 A HA -0.196 4.125 4.320 0.001 0.000 0.218 262 A C 2.151 179.731 177.584 -0.006 0.000 1.181 262 A CA 1.602 53.638 52.037 -0.001 0.000 0.627 262 A CB -1.592 17.411 19.000 0.005 0.000 0.818 262 A HN 0.148 nan 8.150 nan 0.000 0.445 263 I N -1.396 119.170 120.570 -0.008 0.000 2.500 263 I HA -0.164 4.007 4.170 0.001 0.000 0.252 263 I C 2.634 178.731 176.117 -0.033 0.000 1.142 263 I CA 0.847 62.138 61.300 -0.015 0.000 1.451 263 I CB -0.300 37.694 38.000 -0.009 0.000 1.093 263 I HN 0.256 nan 8.210 nan 0.000 0.430 264 R N 0.179 120.654 120.500 -0.040 0.000 2.115 264 R HA -0.073 4.268 4.340 0.001 0.000 0.226 264 R C 2.250 178.531 176.300 -0.032 0.000 1.100 264 R CA 1.548 57.618 56.100 -0.051 0.000 0.980 264 R CB -0.435 29.835 30.300 -0.049 0.000 0.875 264 R HN 0.295 nan 8.270 nan 0.000 0.445 265 T N 0.668 115.209 114.554 -0.021 0.000 2.777 265 T HA -0.087 4.264 4.350 0.001 0.000 0.266 265 T C 1.734 176.427 174.700 -0.012 0.000 1.040 265 T CA 1.115 63.207 62.100 -0.013 0.000 1.141 265 T CB -0.063 68.799 68.868 -0.010 0.000 0.868 265 T HN 0.274 nan 8.240 nan 0.000 0.444 266 R N 1.138 121.630 120.500 -0.014 0.000 2.081 266 R HA 0.053 4.394 4.340 0.001 0.000 0.235 266 R C 2.800 179.098 176.300 -0.004 0.000 1.131 266 R CA 1.257 57.350 56.100 -0.012 0.000 0.960 266 R CB -0.461 29.831 30.300 -0.014 0.000 0.856 266 R HN 0.339 nan 8.270 nan 0.000 0.436 267 A N 1.217 124.029 122.820 -0.012 0.000 1.972 267 A HA -0.146 4.175 4.320 0.001 0.000 0.219 267 A C 2.056 179.649 177.584 0.014 0.000 1.169 267 A CA 1.000 53.033 52.037 -0.006 0.000 0.635 267 A CB -0.348 18.617 19.000 -0.057 0.000 0.810 267 A HN 0.227 nan 8.150 nan 0.000 0.446 268 L N 0.198 121.424 121.223 0.004 0.000 2.005 268 L HA -0.107 4.233 4.340 0.001 0.000 0.207 268 L C 2.166 179.052 176.870 0.027 0.000 1.072 268 L CA 2.432 57.281 54.840 0.015 0.000 0.744 268 L CB -0.825 41.236 42.059 0.004 0.000 0.895 268 L HN 0.518 nan 8.230 nan 0.000 0.433 269 E N -0.167 120.041 120.200 0.014 0.000 2.085 269 E HA -0.248 4.103 4.350 0.001 0.000 0.194 269 E C 2.146 178.758 176.600 0.021 0.000 0.994 269 E CA 1.226 57.632 56.400 0.009 0.000 0.801 269 E CB -0.392 29.304 29.700 -0.006 0.000 0.743 269 E HN 0.661 nan 8.360 nan 0.000 0.453 270 A N 1.040 123.880 122.820 0.032 0.000 1.877 270 A HA -0.191 4.130 4.320 0.001 0.000 0.216 270 A C 2.413 180.078 177.584 0.135 0.000 1.186 270 A CA 1.984 54.057 52.037 0.060 0.000 0.620 270 A CB -0.957 18.114 19.000 0.119 0.000 0.822 270 A HN 0.193 nan 8.150 nan 0.000 0.443 271 T N 0.795 115.436 114.554 0.145 0.000 2.788 271 T HA -0.136 4.215 4.350 0.001 0.000 0.268 271 T C 1.790 176.591 174.700 0.169 0.000 1.044 271 T CA 1.416 63.626 62.100 0.184 0.000 1.139 271 T CB -0.412 68.541 68.868 0.141 0.000 0.867 271 T HN 0.514 nan 8.240 nan 0.000 0.454 272 N N 1.414 120.179 118.700 0.108 0.000 2.142 272 N HA 0.002 4.742 4.740 0.001 0.000 0.186 272 N C 2.216 177.795 175.510 0.114 0.000 1.023 272 N CA 1.268 54.373 53.050 0.092 0.000 0.852 272 N CB -0.448 38.065 38.487 0.044 0.000 0.998 272 N HN 0.423 nan 8.380 nan 0.000 0.424 273 A N 1.274 124.147 122.820 0.087 0.000 1.902 273 A HA 0.036 4.357 4.320 0.001 0.000 0.217 273 A C 2.408 180.055 177.584 0.105 0.000 1.181 273 A CA 1.840 53.926 52.037 0.082 0.000 0.623 273 A CB -0.771 18.217 19.000 -0.021 0.000 0.818 273 A HN 0.312 nan 8.150 nan 0.000 0.443 274 A N 0.020 122.914 122.820 0.123 0.000 1.902 274 A HA -0.098 4.223 4.320 0.001 0.000 0.217 274 A C 2.117 179.834 177.584 0.221 0.000 1.181 274 A CA 1.553 53.703 52.037 0.188 0.000 0.623 274 A CB -0.616 18.613 19.000 0.381 0.000 0.818 274 A HN 0.517 nan 8.150 nan 0.000 0.443 275 I N -1.564 119.158 120.570 0.254 0.000 2.179 275 I HA -0.281 3.889 4.170 0.001 0.000 0.242 275 I C 2.533 178.800 176.117 0.251 0.000 1.088 275 I CA 1.742 63.204 61.300 0.269 0.000 1.357 275 I CB -0.715 37.416 38.000 0.219 0.000 1.051 275 I HN 0.572 nan 8.210 nan 0.000 0.409 276 H N 0.371 119.507 119.070 0.111 0.000 2.289 276 H HA -0.319 4.238 4.556 0.001 0.000 0.296 276 H C 2.624 178.020 175.328 0.112 0.000 1.091 276 H CA 2.161 58.265 56.048 0.093 0.000 1.274 276 H CB 0.018 29.816 29.762 0.061 0.000 1.364 276 H HN 0.517 nan 8.280 nan 0.000 0.490 277 C N 1.015 120.359 119.300 0.073 0.000 2.376 277 C HA -0.216 4.244 4.460 0.001 0.000 0.275 277 C C 2.850 177.918 174.990 0.129 0.000 1.200 277 C CA 1.565 60.597 59.018 0.023 0.000 1.756 277 C CB -1.450 26.327 27.740 0.061 0.000 2.050 277 C HN 0.645 nan 8.230 nan 0.000 0.460 278 I N 0.362 121.048 120.570 0.193 0.000 2.248 278 I HA -0.194 3.977 4.170 0.001 0.000 0.248 278 I C 2.483 178.805 176.117 0.342 0.000 1.107 278 I CA 1.753 63.176 61.300 0.204 0.000 1.373 278 I CB -0.482 37.541 38.000 0.039 0.000 1.055 278 I HN 0.300 nan 8.210 nan 0.000 0.418 279 V N 0.390 120.452 119.914 0.246 0.000 2.323 279 V HA -0.185 3.935 4.120 0.001 0.000 0.244 279 V C 2.180 178.359 176.094 0.141 0.000 1.041 279 V CA 1.595 64.034 62.300 0.231 0.000 1.025 279 V CB -0.512 31.453 31.823 0.236 0.000 0.656 279 V HN 0.380 nan 8.190 nan 0.000 0.451 280 E N 0.469 120.691 120.200 0.038 0.000 2.516 280 E HA -0.081 4.270 4.350 0.001 0.000 0.199 280 E C 1.957 178.573 176.600 0.026 0.000 1.069 280 E CA 1.277 57.660 56.400 -0.028 0.000 0.876 280 E CB -0.164 29.415 29.700 -0.201 0.000 0.843 280 E HN 0.837 nan 8.360 nan 0.000 0.530 281 T N -3.241 111.374 114.554 0.102 0.000 2.971 281 T HA 0.032 4.382 4.350 0.001 0.000 0.252 281 T C 1.032 175.761 174.700 0.047 0.000 1.022 281 T CA -0.370 61.799 62.100 0.116 0.000 0.980 281 T CB 0.264 69.191 68.868 0.098 0.000 1.044 281 T HN -0.025 nan 8.240 nan 0.000 0.501 282 Q N 2.049 121.812 119.800 -0.062 0.000 2.283 282 Q HA 0.192 4.533 4.340 0.001 0.000 0.301 282 Q C -0.627 175.104 176.000 -0.447 0.000 1.063 282 Q CA -0.158 55.248 55.803 -0.663 0.000 0.952 282 Q CB 0.492 28.858 28.738 -0.620 0.000 1.166 282 Q HN 0.245 nan 8.270 nan 0.000 0.381 283 V N 5.831 125.415 119.914 -0.549 0.000 2.479 283 V HA 0.061 4.182 4.120 0.001 0.000 0.281 283 V C -0.038 175.843 176.094 -0.356 0.000 1.031 283 V CA -0.121 61.964 62.300 -0.359 0.000 1.038 283 V CB 0.565 32.162 31.823 -0.377 0.000 0.981 283 V HN 0.630 nan 8.190 nan 0.000 0.478 284 V N 3.322 123.100 119.914 -0.227 0.000 2.294 284 V HA 0.424 4.545 4.120 0.001 0.000 0.272 284 V C 0.160 176.169 176.094 -0.141 0.000 1.027 284 V CA -0.785 61.407 62.300 -0.180 0.000 0.823 284 V CB 1.065 32.814 31.823 -0.123 0.000 1.030 284 V HN 0.792 nan 8.190 nan 0.000 0.457 285 Q N 3.660 123.372 119.800 -0.148 0.000 3.151 285 Q HA 0.141 4.482 4.340 0.001 0.000 0.277 285 Q C -0.165 175.795 176.000 -0.067 0.000 1.343 285 Q CA 0.460 56.201 55.803 -0.104 0.000 0.925 285 Q CB -1.113 27.567 28.738 -0.098 0.000 1.771 285 Q HN 0.899 nan 8.270 nan 0.000 0.514 286 D N 1.046 121.410 120.400 -0.061 0.000 3.508 286 D HA -0.221 4.420 4.640 0.001 0.000 0.232 286 D C 0.801 177.080 176.300 -0.035 0.000 1.131 286 D CA 1.256 55.231 54.000 -0.042 0.000 1.040 286 D CB -1.170 39.611 40.800 -0.031 0.000 0.879 286 D HN 0.700 nan 8.370 nan 0.000 0.407 287 G N 0.859 109.636 108.800 -0.037 0.000 2.729 287 G HA2 -0.304 3.657 3.960 0.001 0.000 0.216 287 G HA3 -0.304 3.657 3.960 0.001 0.000 0.216 287 G C 0.337 175.216 174.900 -0.036 0.000 1.252 287 G CA 0.347 45.431 45.100 -0.028 0.000 0.751 287 G HN 0.443 nan 8.290 nan 0.000 0.527 288 K N 1.306 121.679 120.400 -0.045 0.000 2.098 288 K HA 0.602 4.923 4.320 0.001 0.000 0.257 288 K C 0.400 176.936 176.600 -0.106 0.000 0.999 288 K CA -0.560 55.694 56.287 -0.055 0.000 0.924 288 K CB 0.867 33.345 32.500 -0.037 0.000 1.028 288 K HN 0.320 nan 8.250 nan 0.000 0.466 289 R N 1.538 121.962 120.500 -0.125 0.000 2.536 289 R HA 0.562 4.902 4.340 0.001 0.000 0.279 289 R C 0.444 176.557 176.300 -0.311 0.000 1.001 289 R CA -0.594 55.372 56.100 -0.223 0.000 1.027 289 R CB 0.636 30.820 30.300 -0.193 0.000 1.096 289 R HN 0.504 nan 8.270 nan 0.000 0.502 290 L N -0.777 120.113 121.223 -0.556 0.000 2.218 290 L HA 0.562 4.903 4.340 0.001 0.000 0.243 290 L C 1.253 177.346 176.870 -1.295 0.000 1.132 290 L CA -1.118 53.173 54.840 -0.914 0.000 1.052 290 L CB 0.700 42.210 42.059 -0.915 0.000 1.599 290 L HN 0.673 nan 8.230 nan 0.000 0.468 291 G N -1.253 106.382 108.800 -1.941 0.000 2.447 291 G HA2 -0.002 3.959 3.960 0.001 0.000 0.269 291 G HA3 -0.002 3.959 3.960 0.001 0.000 0.269 291 G C -0.165 174.363 174.900 -0.620 0.000 1.455 291 G CA 0.052 44.622 45.100 -0.884 0.000 1.061 291 G HN 0.670 nan 8.290 nan 0.000 0.545 292 W N -1.395 119.847 121.300 -0.098 0.000 3.520 292 W HA 0.335 4.996 4.660 0.001 0.000 0.223 292 W C 0.996 177.711 176.519 0.328 0.000 1.110 292 W CA 0.588 57.966 57.345 0.054 0.000 1.552 292 W CB 0.097 29.449 29.460 -0.180 0.000 0.775 292 W HN 1.064 nan 8.180 nan 0.000 0.794 293 G N 2.000 111.080 108.800 0.467 0.000 2.862 293 G HA2 -0.276 3.685 3.960 0.001 0.000 0.686 293 G HA3 -0.276 3.685 3.960 0.001 0.000 0.686 293 G C 0.437 175.648 174.900 0.518 0.000 1.134 293 G CA -0.029 45.329 45.100 0.431 0.000 0.791 293 G HN 0.209 nan 8.290 nan 0.000 0.592 294 Q N 0.370 120.443 119.800 0.454 0.000 2.156 294 Q HA -0.202 4.138 4.340 0.001 0.000 0.211 294 Q C 0.981 177.219 176.000 0.397 0.000 0.995 294 Q CA 2.300 58.344 55.803 0.401 0.000 0.877 294 Q CB -0.061 28.899 28.738 0.371 0.000 0.920 294 Q HN 0.775 nan 8.270 nan 0.000 0.416 295 Q N -1.476 118.536 119.800 0.352 0.000 2.421 295 Q HA 0.482 4.823 4.340 0.001 0.000 0.280 295 Q C -1.230 174.962 176.000 0.320 0.000 1.085 295 Q CA -0.375 55.612 55.803 0.306 0.000 0.807 295 Q CB 2.084 30.939 28.738 0.196 0.000 1.405 295 Q HN 0.136 nan 8.270 nan 0.000 0.419 296 H N -0.409 118.726 119.070 0.108 0.000 2.821 296 H HA 0.313 4.869 4.556 0.001 0.000 0.373 296 H C -1.225 174.136 175.328 0.055 0.000 1.165 296 H CA -1.040 55.066 56.048 0.096 0.000 1.154 296 H CB 2.400 32.248 29.762 0.143 0.000 1.765 296 H HN 0.712 nan 8.280 nan 0.000 0.549 297 D N 0.412 120.878 120.400 0.110 0.000 2.389 297 D HA 0.147 4.788 4.640 0.001 0.000 0.247 297 D C 0.912 177.196 176.300 -0.025 0.000 1.128 297 D CA 0.118 54.125 54.000 0.013 0.000 0.884 297 D CB 1.153 41.922 40.800 -0.051 0.000 1.194 297 D HN 0.612 nan 8.370 nan 0.000 0.441 298 A N 3.376 126.113 122.820 -0.138 0.000 2.121 298 A HA -0.050 4.271 4.320 0.001 0.000 0.218 298 A C 1.691 179.005 177.584 -0.451 0.000 1.154 298 A CA 1.038 52.889 52.037 -0.309 0.000 0.679 298 A CB -0.339 18.219 19.000 -0.737 0.000 0.795 298 A HN 0.686 nan 8.150 nan 0.000 0.458 299 L N -3.098 117.870 121.223 -0.425 0.000 2.547 299 L HA 0.073 4.414 4.340 0.001 0.000 0.218 299 L C 2.408 179.140 176.870 -0.230 0.000 1.048 299 L CA 0.922 55.493 54.840 -0.450 0.000 0.859 299 L CB -0.436 41.312 42.059 -0.518 0.000 1.128 299 L HN 0.138 nan 8.230 nan 0.000 0.483 300 T N -0.077 114.382 114.554 -0.158 0.000 2.942 300 T HA 0.083 4.433 4.350 0.001 0.000 0.265 300 T C 1.436 176.117 174.700 -0.032 0.000 1.062 300 T CA 0.815 62.860 62.100 -0.092 0.000 1.139 300 T CB 0.104 68.924 68.868 -0.080 0.000 0.883 300 T HN 0.191 nan 8.240 nan 0.000 0.468 301 L N -1.008 120.225 121.223 0.016 0.000 5.174 301 L HA -0.231 4.110 4.340 0.001 0.000 0.420 301 L C 0.543 177.560 176.870 0.246 0.000 0.973 301 L CA 0.738 55.660 54.840 0.137 0.000 1.381 301 L CB -1.174 40.935 42.059 0.083 0.000 1.819 301 L HN 0.266 nan 8.230 nan 0.000 0.645 302 R N 0.839 121.373 120.500 0.057 0.000 2.531 302 R HA 0.354 4.694 4.340 0.001 0.000 0.273 302 R C -2.160 173.974 176.300 -0.277 0.000 1.070 302 R CA -1.763 54.302 56.100 -0.058 0.000 1.112 302 R CB 0.163 30.415 30.300 -0.079 0.000 1.049 302 R HN -0.184 nan 8.270 nan 0.000 0.508 303 P HA -0.060 nan 4.420 nan 0.000 0.262 303 P C -0.352 176.793 177.300 -0.257 0.000 1.182 303 P CA 0.601 63.334 63.100 -0.611 0.000 0.761 303 P CB 0.766 32.228 31.700 -0.397 0.000 0.795 304 T N 1.450 115.905 114.554 -0.166 0.000 2.841 304 T HA 0.579 4.930 4.350 0.001 0.000 0.276 304 T C 0.044 174.688 174.700 -0.094 0.000 1.003 304 T CA -0.487 61.556 62.100 -0.094 0.000 0.995 304 T CB 0.550 69.395 68.868 -0.038 0.000 1.260 304 T HN 0.354 nan 8.240 nan 0.000 0.581 305 S N 0.093 115.732 115.700 -0.102 0.000 2.730 305 S HA 0.864 5.335 4.470 0.001 0.000 0.284 305 S C 0.429 174.913 174.600 -0.194 0.000 1.153 305 S CA -0.215 57.886 58.200 -0.165 0.000 0.995 305 S CB 1.300 64.394 63.200 -0.176 0.000 1.058 305 S HN 1.005 nan 8.310 nan 0.000 0.552 306 A N 0.911 123.502 122.820 -0.382 0.000 2.522 306 A HA 0.586 4.906 4.320 0.001 0.000 0.204 306 A C 0.472 177.475 177.584 -0.969 0.000 1.826 306 A CA -0.654 50.898 52.037 -0.807 0.000 1.652 306 A CB -0.249 18.316 19.000 -0.725 0.000 1.452 306 A HN 0.761 nan 8.150 nan 0.000 0.477 307 R N 0.179 120.097 120.500 -0.970 0.000 2.583 307 R HA 0.215 4.556 4.340 0.001 0.000 0.268 307 R C 0.667 176.618 176.300 -0.582 0.000 1.101 307 R CA -0.332 55.303 56.100 -0.774 0.000 1.180 307 R CB 0.162 29.879 30.300 -0.971 0.000 1.128 307 R HN 0.557 nan 8.270 nan 0.000 0.568 308 N N 0.985 119.478 118.700 -0.345 0.000 2.184 308 N HA -0.198 4.543 4.740 0.001 0.000 0.190 308 N C 1.183 176.637 175.510 -0.093 0.000 1.011 308 N CA 1.618 54.582 53.050 -0.143 0.000 0.867 308 N CB -0.199 38.297 38.487 0.015 0.000 0.993 308 N HN 0.487 nan 8.380 nan 0.000 0.433 309 F N -0.012 119.894 119.950 -0.074 0.000 2.660 309 F HA 0.444 4.972 4.527 0.001 0.000 0.302 309 F C -0.350 175.441 175.800 -0.015 0.000 1.103 309 F CA -0.600 57.397 58.000 -0.005 0.000 1.340 309 F CB -0.241 38.790 39.000 0.052 0.000 1.048 309 F HN -0.222 nan 8.300 nan 0.000 0.551 310 E N 4.098 124.065 120.200 -0.387 0.000 2.593 310 E HA 0.255 4.606 4.350 0.001 0.000 0.232 310 E C -2.743 173.607 176.600 -0.416 0.000 1.026 310 E CA -2.212 53.931 56.400 -0.429 0.000 0.772 310 E CB 1.519 30.914 29.700 -0.508 0.000 1.310 310 E HN 0.080 nan 8.360 nan 0.000 0.413 311 P HA 0.120 nan 4.420 nan 0.000 0.279 311 P C -0.401 176.711 177.300 -0.313 0.000 1.252 311 P CA -0.452 62.474 63.100 -0.290 0.000 0.811 311 P CB 1.029 32.601 31.700 -0.213 0.000 1.035 312 A N 1.605 124.303 122.820 -0.204 0.000 2.537 312 A HA 0.436 4.757 4.320 0.001 0.000 0.260 312 A C 0.412 177.916 177.584 -0.135 0.000 1.082 312 A CA 0.695 52.635 52.037 -0.160 0.000 0.765 312 A CB -1.448 17.474 19.000 -0.130 0.000 1.019 312 A HN 0.773 nan 8.150 nan 0.000 0.507 313 A N 2.673 125.444 122.820 -0.082 0.000 2.590 313 A HA 0.529 4.850 4.320 0.001 0.000 0.296 313 A C -0.838 176.875 177.584 0.215 0.000 1.050 313 A CA -0.791 51.268 52.037 0.036 0.000 0.697 313 A CB 0.199 19.209 19.000 0.017 0.000 1.277 313 A HN 0.929 nan 8.150 nan 0.000 0.411 314 L N 1.260 122.604 121.223 0.202 0.000 2.543 314 L HA 0.336 4.677 4.340 0.001 0.000 0.285 314 L C 1.026 178.202 176.870 0.509 0.000 1.236 314 L CA 1.218 56.200 54.840 0.237 0.000 0.871 314 L CB 0.968 43.030 42.059 0.005 0.000 1.121 314 L HN 0.761 nan 8.230 nan 0.000 0.501 315 S N 0.749 116.727 115.700 0.462 0.000 2.498 315 S HA 0.369 4.840 4.470 0.001 0.000 0.317 315 S C 1.010 175.814 174.600 0.340 0.000 1.090 315 S CA -0.146 58.260 58.200 0.344 0.000 1.089 315 S CB 1.095 64.436 63.200 0.234 0.000 0.997 315 S HN 0.777 nan 8.310 nan 0.000 0.470 316 S N 3.927 119.781 115.700 0.258 0.000 2.343 316 S HA -0.162 4.308 4.470 0.001 0.000 0.219 316 S C 1.967 176.527 174.600 -0.066 0.000 1.033 316 S CA 1.931 60.185 58.200 0.091 0.000 1.014 316 S CB -1.694 61.565 63.200 0.098 0.000 0.915 316 S HN 0.894 nan 8.310 nan 0.000 0.435 317 T N 1.045 115.541 114.554 -0.096 0.000 2.684 317 T HA -0.061 4.289 4.350 0.001 0.000 0.267 317 T C 1.666 176.313 174.700 -0.088 0.000 1.036 317 T CA 1.385 63.410 62.100 -0.125 0.000 1.148 317 T CB -0.589 68.195 68.868 -0.139 0.000 0.863 317 T HN 0.329 nan 8.240 nan 0.000 0.436 318 E N 1.260 121.441 120.200 -0.032 0.000 2.274 318 E HA 0.056 4.407 4.350 0.001 0.000 0.194 318 E C 2.502 179.069 176.600 -0.054 0.000 0.996 318 E CA 0.560 56.948 56.400 -0.020 0.000 0.840 318 E CB -0.355 29.392 29.700 0.080 0.000 0.772 318 E HN 0.523 nan 8.360 nan 0.000 0.491 319 S N 0.861 116.603 115.700 0.069 0.000 2.377 319 S HA -0.025 4.446 4.470 0.001 0.000 0.223 319 S C 2.082 176.681 174.600 -0.001 0.000 1.030 319 S CA 0.824 59.135 58.200 0.184 0.000 0.970 319 S CB -0.047 63.453 63.200 0.501 0.000 0.830 319 S HN 0.389 nan 8.310 nan 0.000 0.473 320 A N 2.089 124.865 122.820 -0.073 0.000 1.940 320 A HA -0.153 4.168 4.320 0.001 0.000 0.219 320 A C 2.124 179.624 177.584 -0.141 0.000 1.176 320 A CA 1.386 53.335 52.037 -0.147 0.000 0.631 320 A CB -0.435 18.425 19.000 -0.233 0.000 0.814 320 A HN 0.439 nan 8.150 nan 0.000 0.446 321 R N -0.568 119.841 120.500 -0.151 0.000 2.066 321 R HA 0.038 4.379 4.340 0.001 0.000 0.232 321 R C 1.973 178.158 176.300 -0.192 0.000 1.131 321 R CA 1.506 57.516 56.100 -0.151 0.000 0.955 321 R CB -0.475 29.727 30.300 -0.162 0.000 0.851 321 R HN 0.544 nan 8.270 nan 0.000 0.432 322 I N 1.080 121.441 120.570 -0.348 0.000 2.361 322 I HA -0.267 3.903 4.170 0.001 0.000 0.251 322 I C 2.124 178.020 176.117 -0.369 0.000 1.133 322 I CA 1.209 62.191 61.300 -0.529 0.000 1.413 322 I CB -0.234 37.035 38.000 -1.218 0.000 1.073 322 I HN 0.153 nan 8.210 nan 0.000 0.424 323 L N 0.047 121.096 121.223 -0.290 0.000 2.044 323 L HA -0.181 4.159 4.340 0.001 0.000 0.205 323 L C 2.515 179.293 176.870 -0.153 0.000 1.075 323 L CA 1.210 55.939 54.840 -0.184 0.000 0.747 323 L CB -0.537 41.461 42.059 -0.100 0.000 0.903 323 L HN 0.212 nan 8.230 nan 0.000 0.435 324 L N -1.046 120.117 121.223 -0.100 0.000 2.127 324 L HA -0.266 4.074 4.340 0.001 0.000 0.211 324 L C 2.556 179.412 176.870 -0.024 0.000 1.089 324 L CA 1.272 56.078 54.840 -0.056 0.000 0.757 324 L CB -0.509 41.536 42.059 -0.023 0.000 0.899 324 L HN 0.209 nan 8.230 nan 0.000 0.434 325 F N 0.437 120.296 119.950 -0.152 0.000 2.146 325 F HA -0.159 4.369 4.527 0.001 0.000 0.298 325 F C 2.137 177.871 175.800 -0.110 0.000 1.096 325 F CA 1.396 59.323 58.000 -0.121 0.000 1.275 325 F CB -0.142 38.768 39.000 -0.151 0.000 1.008 325 F HN -0.142 nan 8.300 nan 0.000 0.480 326 L N -0.333 120.745 121.223 -0.242 0.000 2.093 326 L HA -0.207 4.134 4.340 0.001 0.000 0.208 326 L C 2.411 179.104 176.870 -0.295 0.000 1.085 326 L CA 1.189 55.847 54.840 -0.304 0.000 0.755 326 L CB -0.633 41.322 42.059 -0.173 0.000 0.904 326 L HN 0.196 nan 8.230 nan 0.000 0.435 327 M N -0.761 118.635 119.600 -0.339 0.000 2.549 327 M HA -0.168 4.313 4.480 0.001 0.000 0.260 327 M C 1.687 177.982 176.300 -0.007 0.000 1.076 327 M CA 1.036 56.103 55.300 -0.388 0.000 1.090 327 M CB -0.167 32.153 32.600 -0.468 0.000 1.418 327 M HN 0.111 nan 8.290 nan 0.000 0.486 328 E N 0.762 120.891 120.200 -0.118 0.000 2.299 328 E HA 0.141 4.492 4.350 0.001 0.000 0.193 328 E C 0.209 176.758 176.600 -0.086 0.000 0.998 328 E CA 0.186 56.534 56.400 -0.088 0.000 0.851 328 E CB 0.150 29.744 29.700 -0.176 0.000 0.795 328 E HN 0.393 nan 8.360 nan 0.000 0.492 329 I N 2.073 122.568 120.570 -0.126 0.000 2.683 329 I HA -0.064 4.107 4.170 0.001 0.000 0.286 329 I C 0.701 176.836 176.117 0.030 0.000 1.175 329 I CA 0.348 61.602 61.300 -0.078 0.000 1.429 329 I CB 0.461 38.410 38.000 -0.085 0.000 1.371 329 I HN 0.080 nan 8.210 nan 0.000 0.569 330 E N 6.862 127.066 120.200 0.006 0.000 2.223 330 E HA 0.327 4.678 4.350 0.001 0.000 0.282 330 E C -0.008 176.604 176.600 0.021 0.000 1.046 330 E CA -0.255 56.155 56.400 0.016 0.000 0.857 330 E CB 0.679 30.379 29.700 0.001 0.000 1.055 330 E HN 0.820 nan 8.360 nan 0.000 0.409 331 A N 4.104 126.938 122.820 0.023 0.000 2.237 331 A HA -0.121 4.200 4.320 0.001 0.000 0.281 331 A C -2.390 175.223 177.584 0.047 0.000 1.414 331 A CA -0.121 51.927 52.037 0.018 0.000 0.733 331 A CB -1.663 17.340 19.000 0.005 0.000 1.168 331 A HN 0.535 nan 8.150 nan 0.000 0.347 332 P HA 0.379 nan 4.420 nan 0.000 0.271 332 P C 0.653 178.014 177.300 0.102 0.000 1.218 332 P CA 0.384 63.562 63.100 0.129 0.000 0.780 332 P CB 0.878 32.738 31.700 0.267 0.000 0.901 333 S N 0.544 116.297 115.700 0.087 0.000 2.614 333 S HA 0.125 4.595 4.470 0.001 0.000 0.265 333 S C 0.675 175.332 174.600 0.095 0.000 1.303 333 S CA -0.239 58.003 58.200 0.070 0.000 1.000 333 S CB 0.517 63.748 63.200 0.052 0.000 0.935 333 S HN 0.324 nan 8.310 nan 0.000 0.551 334 D N 1.301 121.749 120.400 0.080 0.000 2.149 334 D HA -0.037 4.604 4.640 0.001 0.000 0.198 334 D C 2.170 178.531 176.300 0.102 0.000 0.990 334 D CA 1.722 55.778 54.000 0.093 0.000 0.839 334 D CB -0.404 40.437 40.800 0.068 0.000 0.948 334 D HN 0.701 nan 8.370 nan 0.000 0.460 335 A N 0.119 122.992 122.820 0.089 0.000 1.883 335 A HA -0.189 4.132 4.320 0.001 0.000 0.217 335 A C 2.328 179.982 177.584 0.116 0.000 1.186 335 A CA 1.311 53.406 52.037 0.096 0.000 0.624 335 A CB -0.799 18.259 19.000 0.096 0.000 0.822 335 A HN 0.175 nan 8.150 nan 0.000 0.444 336 V N -0.091 119.897 119.914 0.123 0.000 2.667 336 V HA -0.200 3.921 4.120 0.001 0.000 0.252 336 V C 2.343 178.526 176.094 0.150 0.000 1.065 336 V CA 2.061 64.437 62.300 0.127 0.000 1.083 336 V CB -0.600 31.291 31.823 0.113 0.000 0.692 336 V HN 0.524 nan 8.190 nan 0.000 0.468 337 K N -0.167 120.355 120.400 0.203 0.000 2.097 337 K HA -0.171 4.150 4.320 0.001 0.000 0.205 337 K C 2.270 179.006 176.600 0.226 0.000 1.050 337 K CA 1.358 57.831 56.287 0.309 0.000 0.938 337 K CB -0.144 32.532 32.500 0.293 0.000 0.718 337 K HN 0.555 nan 8.250 nan 0.000 0.442 338 Q N 0.296 120.186 119.800 0.149 0.000 2.046 338 Q HA -0.095 4.246 4.340 0.001 0.000 0.200 338 Q C 2.279 178.321 176.000 0.071 0.000 0.975 338 Q CA 1.270 57.135 55.803 0.103 0.000 0.836 338 Q CB -0.223 28.559 28.738 0.073 0.000 0.896 338 Q HN 0.301 nan 8.270 nan 0.000 0.428 339 A N 1.427 124.298 122.820 0.084 0.000 1.892 339 A HA -0.230 4.090 4.320 0.001 0.000 0.218 339 A C 2.092 179.732 177.584 0.092 0.000 1.188 339 A CA 1.529 53.627 52.037 0.103 0.000 0.631 339 A CB -0.849 18.273 19.000 0.203 0.000 0.822 339 A HN 0.317 nan 8.150 nan 0.000 0.447 340 I N -1.144 119.434 120.570 0.013 0.000 2.142 340 I HA -0.295 3.875 4.170 0.001 0.000 0.240 340 I C 2.813 178.838 176.117 -0.154 0.000 1.078 340 I CA 1.787 62.999 61.300 -0.146 0.000 1.343 340 I CB -0.499 37.190 38.000 -0.519 0.000 1.046 340 I HN 0.296 nan 8.210 nan 0.000 0.405 341 R N 0.865 121.340 120.500 -0.042 0.000 2.096 341 R HA -0.141 4.200 4.340 0.001 0.000 0.240 341 R C 2.416 178.651 176.300 -0.109 0.000 1.139 341 R CA 1.595 57.662 56.100 -0.055 0.000 0.952 341 R CB -0.900 29.488 30.300 0.147 0.000 0.854 341 R HN 0.502 nan 8.270 nan 0.000 0.436 342 G N 0.217 108.990 108.800 -0.044 0.000 2.552 342 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 342 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 342 G C 1.576 176.463 174.900 -0.021 0.000 1.240 342 G CA 0.851 45.922 45.100 -0.049 0.000 0.796 342 G HN 0.455 nan 8.290 nan 0.000 0.568 343 G N 0.212 109.005 108.800 -0.012 0.000 2.505 343 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 343 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 343 G C 1.807 176.828 174.900 0.201 0.000 1.145 343 G CA 1.513 46.716 45.100 0.171 0.000 0.761 343 G HN 0.376 nan 8.290 nan 0.000 0.571 344 V N 1.381 121.251 119.914 -0.072 0.000 2.407 344 V HA -0.130 3.990 4.120 0.001 0.000 0.248 344 V C 3.268 179.256 176.094 -0.176 0.000 1.055 344 V CA 2.017 64.172 62.300 -0.242 0.000 1.049 344 V CB -0.857 30.535 31.823 -0.719 0.000 0.662 344 V HN 0.530 nan 8.190 nan 0.000 0.455 345 A N 1.070 123.818 122.820 -0.119 0.000 1.841 345 A HA -0.241 4.080 4.320 0.001 0.000 0.214 345 A C 2.147 179.754 177.584 0.038 0.000 1.195 345 A CA 1.821 53.835 52.037 -0.039 0.000 0.611 345 A CB -0.941 18.052 19.000 -0.011 0.000 0.835 345 A HN 0.814 nan 8.150 nan 0.000 0.443 346 W N 0.698 121.940 121.300 -0.096 0.000 2.350 346 W HA -0.135 4.526 4.660 0.001 0.000 0.289 346 W C 1.292 177.779 176.519 -0.053 0.000 1.215 346 W CA 1.327 58.620 57.345 -0.087 0.000 1.236 346 W CB -0.981 28.406 29.460 -0.122 0.000 1.130 346 W HN 0.267 nan 8.180 nan 0.000 0.541 347 L N 1.159 122.036 121.223 -0.577 0.000 2.353 347 L HA -0.191 4.149 4.340 0.001 0.000 0.220 347 L C 2.053 178.894 176.870 -0.047 0.000 1.133 347 L CA 1.545 56.035 54.840 -0.583 0.000 0.798 347 L CB -0.611 41.221 42.059 -0.378 0.000 0.922 347 L HN 0.135 nan 8.230 nan 0.000 0.445 348 N N -1.875 116.789 118.700 -0.060 0.000 2.414 348 N HA -0.083 4.658 4.740 0.001 0.000 0.177 348 N C 1.721 177.204 175.510 -0.047 0.000 1.062 348 N CA 0.940 53.998 53.050 0.013 0.000 0.890 348 N CB 0.388 38.891 38.487 0.027 0.000 1.070 348 N HN 0.282 nan 8.380 nan 0.000 0.454 349 T N -0.988 113.530 114.554 -0.059 0.000 2.915 349 T HA -0.062 4.289 4.350 0.001 0.000 0.269 349 T C 0.889 175.533 174.700 -0.093 0.000 1.071 349 T CA 0.530 62.607 62.100 -0.038 0.000 1.132 349 T CB -0.182 68.701 68.868 0.024 0.000 0.878 349 T HN 0.039 nan 8.240 nan 0.000 0.479 350 S N 0.718 116.287 115.700 -0.218 0.000 2.601 350 S HA 0.716 5.187 4.470 0.001 0.000 0.312 350 S C -0.449 173.944 174.600 -0.344 0.000 1.107 350 S CA -0.829 57.181 58.200 -0.315 0.000 1.129 350 S CB 1.364 64.135 63.200 -0.715 0.000 0.982 350 S HN 0.234 nan 8.310 nan 0.000 0.469 351 V N 2.467 122.184 119.914 -0.328 0.000 3.703 351 V HA 0.683 4.804 4.120 0.001 0.000 0.306 351 V C -0.919 174.956 176.094 -0.365 0.000 1.407 351 V CA -1.056 60.865 62.300 -0.630 0.000 0.974 351 V CB 1.318 32.810 31.823 -0.552 0.000 1.188 351 V HN 0.754 nan 8.190 nan 0.000 0.477 352 I N 0.012 120.359 120.570 -0.372 0.000 2.692 352 I HA 0.454 4.625 4.170 0.001 0.000 0.293 352 I C 0.473 176.497 176.117 -0.154 0.000 1.200 352 I CA -0.473 60.720 61.300 -0.177 0.000 1.036 352 I CB 2.175 40.105 38.000 -0.117 0.000 1.258 352 I HN 0.563 nan 8.210 nan 0.000 0.421 353 R N 2.269 122.716 120.500 -0.088 0.000 2.187 353 R HA 0.026 4.366 4.340 0.001 0.000 0.215 353 R C -0.022 176.235 176.300 -0.070 0.000 1.106 353 R CA 1.385 57.442 56.100 -0.071 0.000 0.869 353 R CB 0.007 30.281 30.300 -0.043 0.000 0.789 353 R HN 0.588 nan 8.270 nan 0.000 0.447 371 G N -0.080 108.694 108.800 -0.044 0.000 4.142 371 G HA2 -0.025 3.936 3.960 0.001 0.000 0.131 371 G HA3 -0.025 3.936 3.960 0.001 0.000 0.131 371 G C 0.873 175.750 174.900 -0.038 0.000 2.153 371 G CA 0.462 45.531 45.100 -0.052 0.000 0.993 371 G HN 0.372 nan 8.290 nan 0.000 0.294 372 A N 0.944 123.749 122.820 -0.025 0.000 1.884 372 A HA 0.110 4.431 4.320 0.001 0.000 0.219 372 A C 1.345 178.922 177.584 -0.012 0.000 1.197 372 A CA 2.068 54.095 52.037 -0.016 0.000 0.637 372 A CB -0.506 18.489 19.000 -0.008 0.000 0.827 372 A HN 0.461 nan 8.150 nan 0.000 0.450 373 K N 0.131 120.531 120.400 -0.000 0.000 2.118 373 K HA 0.415 4.736 4.320 0.001 0.000 0.267 373 K C -2.684 173.914 176.600 -0.002 0.000 0.991 373 K CA -2.217 54.079 56.287 0.015 0.000 0.916 373 K CB 0.327 32.852 32.500 0.042 0.000 1.041 373 K HN 0.018 nan 8.250 nan 0.000 0.455 374 P HA -0.102 nan 4.420 nan 0.000 0.264 374 P C -0.822 176.396 177.300 -0.136 0.000 1.173 374 P CA 0.658 63.673 63.100 -0.140 0.000 0.761 374 P CB 0.431 32.090 31.700 -0.069 0.000 0.794 375 L N 2.658 123.665 121.223 -0.361 0.000 2.309 375 L HA 0.647 4.987 4.340 0.001 0.000 0.261 375 L C -0.795 175.880 176.870 -0.325 0.000 1.021 375 L CA -0.631 54.137 54.840 -0.120 0.000 0.823 375 L CB 1.942 44.016 42.059 0.024 0.000 1.366 375 L HN 0.391 nan 8.230 nan 0.000 0.423 376 W N 0.485 121.896 121.300 0.185 0.000 3.425 376 W HA 0.191 4.852 4.660 0.001 0.000 0.318 376 W C -0.479 176.118 176.519 0.130 0.000 1.201 376 W CA -0.554 56.913 57.345 0.204 0.000 1.212 376 W CB 2.147 31.665 29.460 0.098 0.000 1.355 376 W HN 0.326 nan 8.180 nan 0.000 0.515 377 S N 2.128 117.918 115.700 0.151 0.000 2.528 377 S HA 0.094 4.564 4.470 0.001 0.000 0.277 377 S C 1.279 175.698 174.600 -0.301 0.000 1.297 377 S CA -0.030 57.864 58.200 -0.511 0.000 1.052 377 S CB 1.048 63.564 63.200 -1.141 0.000 0.917 377 S HN 0.536 nan 8.310 nan 0.000 0.492 378 R N 4.190 124.510 120.500 -0.300 0.000 2.134 378 R HA -0.057 4.283 4.340 0.001 0.000 0.248 378 R C -0.482 175.483 176.300 -0.558 0.000 1.143 378 R CA 1.864 57.712 56.100 -0.420 0.000 0.957 378 R CB -0.374 29.603 30.300 -0.539 0.000 0.867 378 R HN 0.654 nan 8.270 nan 0.000 0.441 379 F N -1.638 118.233 119.950 -0.133 0.000 2.546 379 F HA 0.427 4.955 4.527 0.001 0.000 0.320 379 F C -0.857 174.766 175.800 -0.295 0.000 1.076 379 F CA -1.100 56.868 58.000 -0.054 0.000 0.928 379 F CB 1.720 40.728 39.000 0.014 0.000 1.189 379 F HN -0.212 nan 8.300 nan 0.000 0.465 380 Y N 0.380 120.870 120.300 0.316 0.000 2.425 380 Y HA 0.332 4.882 4.550 0.001 0.000 0.344 380 Y C 0.171 176.184 175.900 0.188 0.000 0.969 380 Y CA -1.058 57.188 58.100 0.245 0.000 1.052 380 Y CB 2.187 40.901 38.460 0.424 0.000 1.215 380 Y HN 0.520 nan 8.280 nan 0.000 0.451 381 S N 3.315 119.162 115.700 0.244 0.000 2.544 381 S HA 0.047 4.518 4.470 0.001 0.000 0.290 381 S C 1.180 175.863 174.600 0.139 0.000 1.276 381 S CA -0.227 58.059 58.200 0.144 0.000 1.075 381 S CB 0.153 63.418 63.200 0.109 0.000 0.849 381 S HN 0.765 nan 8.310 nan 0.000 0.494 382 L N 2.881 124.142 121.223 0.064 0.000 2.046 382 L HA -0.024 4.317 4.340 0.001 0.000 0.208 382 L C 1.399 178.276 176.870 0.012 0.000 1.077 382 L CA 1.028 55.873 54.840 0.008 0.000 0.747 382 L CB -0.299 41.739 42.059 -0.035 0.000 0.896 382 L HN 0.642 nan 8.230 nan 0.000 0.432 383 D N 0.653 121.068 120.400 0.024 0.000 2.380 383 D HA 0.247 4.888 4.640 0.001 0.000 0.230 383 D C 0.230 176.562 176.300 0.053 0.000 1.154 383 D CA 0.398 54.413 54.000 0.024 0.000 0.859 383 D CB 0.886 41.693 40.800 0.011 0.000 1.045 383 D HN 0.278 nan 8.370 nan 0.000 0.495 384 G N 4.548 113.381 108.800 0.054 0.000 2.587 384 G HA2 -0.252 3.709 3.960 0.001 0.000 0.274 384 G HA3 -0.252 3.709 3.960 0.001 0.000 0.274 384 G C 0.096 175.073 174.900 0.128 0.000 1.046 384 G CA -0.588 44.559 45.100 0.078 0.000 1.308 384 G HN 0.680 nan 8.290 nan 0.000 0.529 385 N N 1.851 120.650 118.700 0.164 0.000 2.348 385 N HA 0.044 4.785 4.740 0.001 0.000 0.286 385 N C 0.726 176.431 175.510 0.326 0.000 1.371 385 N CA 1.516 54.737 53.050 0.285 0.000 0.966 385 N CB 0.178 38.857 38.487 0.320 0.000 1.356 385 N HN 0.928 nan 8.380 nan 0.000 0.490 386 K N 0.725 121.326 120.400 0.336 0.000 2.508 386 K HA 0.551 4.872 4.320 0.001 0.000 0.260 386 K C -3.347 173.330 176.600 0.128 0.000 0.949 386 K CA -2.088 54.360 56.287 0.269 0.000 0.834 386 K CB 1.793 34.390 32.500 0.161 0.000 1.365 386 K HN -0.120 nan 8.250 nan 0.000 0.437 387 P HA -0.005 nan 4.420 nan 0.000 0.264 387 P C -1.004 176.081 177.300 -0.358 0.000 1.183 387 P CA -0.168 62.680 63.100 -0.421 0.000 0.763 387 P CB 0.611 32.208 31.700 -0.172 0.000 0.807 388 V N 4.554 124.073 119.914 -0.658 0.000 2.841 388 V HA 0.566 4.687 4.120 0.001 0.000 0.310 388 V C -0.405 175.284 176.094 -0.675 0.000 1.090 388 V CA -0.322 61.738 62.300 -0.401 0.000 0.930 388 V CB 1.562 33.316 31.823 -0.114 0.000 1.014 388 V HN 0.350 nan 8.190 nan 0.000 0.425 389 F N 0.962 120.894 119.950 -0.029 0.000 2.664 389 F HA 0.985 5.512 4.527 0.001 0.000 0.329 389 F C 0.652 176.313 175.800 -0.231 0.000 1.090 389 F CA -0.674 57.172 58.000 -0.256 0.000 0.978 389 F CB 2.060 40.697 39.000 -0.606 0.000 1.378 389 F HN 0.707 nan 8.300 nan 0.000 0.495 390 G N -0.649 108.044 108.800 -0.179 0.000 2.721 390 G HA2 0.550 4.510 3.960 0.001 0.000 0.296 390 G HA3 0.550 4.510 3.960 0.001 0.000 0.296 390 G C -2.435 172.529 174.900 0.106 0.000 1.383 390 G CA -0.443 44.666 45.100 0.015 0.000 0.788 390 G HN 0.511 nan 8.290 nan 0.000 0.500 391 D N -1.795 118.697 120.400 0.153 0.000 2.583 391 D HA 0.330 4.971 4.640 0.001 0.000 0.248 391 D C 0.929 177.350 176.300 0.201 0.000 1.209 391 D CA -0.764 53.342 54.000 0.177 0.000 0.848 391 D CB 2.322 43.229 40.800 0.179 0.000 1.431 391 D HN 0.264 nan 8.370 nan 0.000 0.436 392 R N 0.195 120.800 120.500 0.175 0.000 2.397 392 R HA -0.054 4.287 4.340 0.001 0.000 0.213 392 R C 0.290 176.661 176.300 0.118 0.000 1.102 392 R CA 0.964 57.179 56.100 0.192 0.000 1.040 392 R CB -0.103 30.277 30.300 0.134 0.000 0.844 392 R HN 0.294 nan 8.270 nan 0.000 0.478 393 D N -0.169 120.285 120.400 0.091 0.000 2.643 393 D HA 0.050 4.691 4.640 0.001 0.000 0.244 393 D C -0.190 176.125 176.300 0.024 0.000 1.257 393 D CA -0.419 53.614 54.000 0.055 0.000 0.831 393 D CB 0.129 40.963 40.800 0.056 0.000 1.043 393 D HN -0.073 nan 8.370 nan 0.000 0.488 394 K N -0.517 119.892 120.400 0.016 0.000 3.274 394 K HA -0.178 4.143 4.320 0.001 0.000 0.305 394 K C -0.077 176.481 176.600 -0.070 0.000 1.225 394 K CA 1.414 57.684 56.287 -0.027 0.000 0.904 394 K CB -2.187 30.297 32.500 -0.026 0.000 1.227 394 K HN 0.590 nan 8.250 nan 0.000 0.453 395 T N -0.923 113.570 114.554 -0.101 0.000 2.799 395 T HA 0.638 4.989 4.350 0.001 0.000 0.286 395 T C 0.258 174.673 174.700 -0.475 0.000 0.973 395 T CA -0.946 61.011 62.100 -0.238 0.000 1.035 395 T CB 1.154 69.902 68.868 -0.200 0.000 0.932 395 T HN 0.173 nan 8.240 nan 0.000 0.469 396 I N 4.784 125.116 120.570 -0.397 0.000 2.315 396 I HA 0.341 4.512 4.170 0.001 0.000 0.291 396 I C 0.578 176.469 176.117 -0.377 0.000 1.006 396 I CA -0.907 60.194 61.300 -0.332 0.000 1.265 396 I CB 0.557 38.466 38.000 -0.152 0.000 1.387 396 I HN 0.638 nan 8.210 nan 0.000 0.475 397 H N 4.980 124.067 119.070 0.029 0.000 2.713 397 H HA 0.370 4.927 4.556 0.001 0.000 0.340 397 H C -0.484 174.938 175.328 0.156 0.000 1.271 397 H CA -0.773 55.303 56.048 0.046 0.000 1.306 397 H CB 1.516 31.266 29.762 -0.020 0.000 1.839 397 H HN 0.598 nan 8.280 nan 0.000 0.627 398 D N 0.007 120.589 120.400 0.304 0.000 2.650 398 D HA 0.066 4.707 4.640 0.001 0.000 0.265 398 D C -0.773 175.667 176.300 0.233 0.000 1.339 398 D CA -0.225 53.972 54.000 0.328 0.000 0.816 398 D CB 0.717 41.628 40.800 0.185 0.000 1.091 398 D HN 0.576 nan 8.370 nan 0.000 0.483 399 D N -0.179 120.194 120.400 -0.045 0.000 2.871 399 D HA -0.020 4.621 4.640 0.001 0.000 0.209 399 D C 1.307 177.147 176.300 -0.768 0.000 1.292 399 D CA -0.660 53.091 54.000 -0.415 0.000 0.869 399 D CB 1.733 42.416 40.800 -0.195 0.000 1.663 399 D HN -0.137 nan 8.370 nan 0.000 0.557 400 V N -0.359 118.903 119.914 -1.086 0.000 2.469 400 V HA -0.237 3.883 4.120 0.001 0.000 0.251 400 V C 1.956 177.788 176.094 -0.437 0.000 1.064 400 V CA 1.038 62.845 62.300 -0.821 0.000 1.066 400 V CB -0.874 30.662 31.823 -0.478 0.000 0.667 400 V HN 0.555 nan 8.190 nan 0.000 0.461 401 M N 1.417 120.817 119.600 -0.333 0.000 2.630 401 M HA 0.172 4.652 4.480 0.001 0.000 0.254 401 M C 1.752 177.901 176.300 -0.251 0.000 1.092 401 M CA 1.215 56.378 55.300 -0.230 0.000 1.087 401 M CB -1.264 31.234 32.600 -0.170 0.000 1.453 401 M HN 0.582 nan 8.290 nan 0.000 0.509 402 G N 0.177 108.771 108.800 -0.343 0.000 3.518 402 G HA2 0.442 4.403 3.960 0.001 0.000 0.273 402 G HA3 0.442 4.403 3.960 0.001 0.000 0.273 402 G C 0.267 174.821 174.900 -0.577 0.000 1.199 402 G CA -0.165 44.664 45.100 -0.453 0.000 0.899 402 G HN 0.321 nan 8.290 nan 0.000 0.533 403 I N 0.661 121.027 120.570 -0.340 0.000 2.730 403 I HA 0.240 4.410 4.170 0.001 0.000 0.298 403 I C 0.289 176.332 176.117 -0.123 0.000 1.089 403 I CA -1.102 60.073 61.300 -0.209 0.000 1.041 403 I CB 2.448 40.317 38.000 -0.217 0.000 1.235 403 I HN 0.095 nan 8.210 nan 0.000 0.423 404 S N 3.352 119.017 115.700 -0.060 0.000 2.546 404 S HA -0.057 4.413 4.470 0.001 0.000 0.290 404 S C 0.795 175.381 174.600 -0.024 0.000 1.290 404 S CA -0.151 58.028 58.200 -0.035 0.000 1.069 404 S CB 1.083 64.277 63.200 -0.011 0.000 0.846 404 S HN 0.819 nan 8.310 nan 0.000 0.495 405 Q N 0.866 120.653 119.800 -0.021 0.000 2.248 405 Q HA -0.220 4.121 4.340 0.001 0.000 0.208 405 Q C 1.999 178.012 176.000 0.021 0.000 0.984 405 Q CA 1.591 57.394 55.803 -0.001 0.000 0.875 405 Q CB -0.097 28.638 28.738 -0.005 0.000 0.910 405 Q HN 0.879 nan 8.270 nan 0.000 0.433 406 E N 0.305 120.510 120.200 0.009 0.000 2.118 406 E HA -0.211 4.140 4.350 0.001 0.000 0.195 406 E C 1.560 178.165 176.600 0.009 0.000 0.992 406 E CA 1.124 57.529 56.400 0.007 0.000 0.804 406 E CB 0.190 29.886 29.700 -0.006 0.000 0.741 406 E HN 0.292 nan 8.360 nan 0.000 0.458 407 R N -0.289 120.219 120.500 0.013 0.000 2.206 407 R HA 0.106 4.447 4.340 0.001 0.000 0.198 407 R C 2.356 178.829 176.300 0.289 0.000 0.986 407 R CA 0.301 56.431 56.100 0.050 0.000 1.029 407 R CB -0.374 29.918 30.300 -0.015 0.000 0.966 407 R HN 0.105 nan 8.270 nan 0.000 0.487 408 R N 0.621 121.220 120.500 0.165 0.000 2.235 408 R HA 0.015 4.355 4.340 0.001 0.000 0.213 408 R C -0.182 176.255 176.300 0.229 0.000 1.059 408 R CA 0.898 57.102 56.100 0.173 0.000 0.997 408 R CB 0.307 30.619 30.300 0.021 0.000 0.884 408 R HN -0.058 nan 8.270 nan 0.000 0.462 409 T N -1.440 113.220 114.554 0.176 0.000 2.912 409 T HA 0.530 4.880 4.350 0.001 0.000 0.288 409 T C 0.371 175.158 174.700 0.145 0.000 1.030 409 T CA -0.170 62.015 62.100 0.141 0.000 1.020 409 T CB 1.770 70.685 68.868 0.078 0.000 1.056 409 T HN 0.378 nan 8.240 nan 0.000 0.480 410 G N 1.582 110.452 108.800 0.116 0.000 5.347 410 G HA2 -0.285 3.676 3.960 0.001 0.000 0.299 410 G HA3 -0.285 3.676 3.960 0.001 0.000 0.299 410 G C 0.038 175.004 174.900 0.110 0.000 1.492 410 G CA 0.106 45.264 45.100 0.096 0.000 0.991 410 G HN 0.792 nan 8.290 nan 0.000 0.749 411 Y N 3.121 123.414 120.300 -0.012 0.000 2.712 411 Y HA 0.397 4.948 4.550 0.001 0.000 0.333 411 Y C 0.788 176.618 175.900 -0.116 0.000 1.225 411 Y CA 0.494 58.520 58.100 -0.122 0.000 1.499 411 Y CB 0.592 38.908 38.460 -0.241 0.000 1.288 411 Y HN 0.911 nan 8.280 nan 0.000 0.575 412 A N 6.153 128.669 122.820 -0.506 0.000 2.249 412 A HA 0.299 4.620 4.320 0.001 0.000 0.314 412 A C -0.625 176.743 177.584 -0.360 0.000 1.290 412 A CA -0.698 51.194 52.037 -0.241 0.000 0.893 412 A CB -0.071 18.825 19.000 -0.173 0.000 1.165 412 A HN 1.065 nan 8.150 nan 0.000 0.530 413 W N 1.102 122.508 121.300 0.177 0.000 3.114 413 W HA 0.292 4.952 4.660 0.001 0.000 0.279 413 W C -0.361 176.127 176.519 -0.051 0.000 1.277 413 W CA 0.162 57.613 57.345 0.176 0.000 1.630 413 W CB 0.075 29.839 29.460 0.506 0.000 1.087 413 W HN 0.630 nan 8.180 nan 0.000 0.637 414 Y N -0.582 119.879 120.300 0.269 0.000 2.570 414 Y HA 0.663 5.214 4.550 0.001 0.000 0.345 414 Y C 0.393 176.362 175.900 0.115 0.000 1.014 414 Y CA -1.044 57.172 58.100 0.194 0.000 1.063 414 Y CB 2.260 40.845 38.460 0.208 0.000 1.272 414 Y HN -0.457 nan 8.280 nan 0.000 0.477 415 T N -1.145 113.596 114.554 0.312 0.000 2.827 415 T HA 0.263 4.614 4.350 0.001 0.000 0.328 415 T C 0.058 174.949 174.700 0.318 0.000 1.598 415 T CA 0.022 62.254 62.100 0.221 0.000 1.043 415 T CB 0.853 69.778 68.868 0.095 0.000 1.447 415 T HN 0.759 nan 8.240 nan 0.000 0.491 416 T N -0.338 114.364 114.554 0.246 0.000 3.023 416 T HA 0.211 4.561 4.350 0.001 0.000 0.253 416 T C 1.919 176.742 174.700 0.206 0.000 1.038 416 T CA 0.933 63.226 62.100 0.322 0.000 0.962 416 T CB -0.127 68.864 68.868 0.204 0.000 1.018 416 T HN 0.403 nan 8.240 nan 0.000 0.521 417 S N 3.345 119.092 115.700 0.079 0.000 2.381 417 S HA -0.091 4.379 4.470 0.001 0.000 0.230 417 S C -0.551 173.957 174.600 -0.153 0.000 1.052 417 S CA 1.911 60.093 58.200 -0.030 0.000 1.068 417 S CB -1.517 61.649 63.200 -0.057 0.000 0.918 417 S HN 0.472 nan 8.310 nan 0.000 0.448 418 P HA -0.179 nan 4.420 nan 0.000 0.217 418 P C 1.441 178.371 177.300 -0.618 0.000 1.148 418 P CA 1.311 63.968 63.100 -0.738 0.000 0.834 418 P CB -0.074 30.645 31.700 -1.635 0.000 0.783 419 Q N 0.493 120.074 119.800 -0.364 0.000 2.173 419 Q HA -0.239 4.102 4.340 0.001 0.000 0.208 419 Q C 1.861 177.845 176.000 -0.027 0.000 0.989 419 Q CA 1.873 57.669 55.803 -0.012 0.000 0.872 419 Q CB -0.812 28.047 28.738 0.202 0.000 0.909 419 Q HN 0.046 nan 8.270 nan 0.000 0.420 420 K N -0.355 120.011 120.400 -0.056 0.000 2.160 420 K HA -0.107 4.214 4.320 0.001 0.000 0.206 420 K C 1.818 178.403 176.600 -0.025 0.000 1.047 420 K CA 1.317 57.588 56.287 -0.026 0.000 0.930 420 K CB -0.548 31.931 32.500 -0.035 0.000 0.720 420 K HN 0.366 nan 8.250 nan 0.000 0.450 421 A N 0.655 123.428 122.820 -0.078 0.000 2.067 421 A HA 0.010 4.330 4.320 0.001 0.000 0.217 421 A C 2.204 179.803 177.584 0.024 0.000 1.156 421 A CA 0.574 52.579 52.037 -0.054 0.000 0.683 421 A CB -0.241 18.684 19.000 -0.124 0.000 0.808 421 A HN 0.133 nan 8.150 nan 0.000 0.455 422 L N -0.869 120.372 121.223 0.031 0.000 2.034 422 L HA -0.090 4.251 4.340 0.001 0.000 0.203 422 L C 2.755 179.733 176.870 0.180 0.000 1.074 422 L CA 1.411 56.328 54.840 0.129 0.000 0.748 422 L CB -0.695 41.444 42.059 0.134 0.000 0.905 422 L HN 0.272 nan 8.230 nan 0.000 0.439 423 S N 0.298 116.071 115.700 0.122 0.000 2.400 423 S HA -0.180 4.291 4.470 0.001 0.000 0.232 423 S C 2.116 176.783 174.600 0.112 0.000 1.025 423 S CA 1.246 59.510 58.200 0.108 0.000 0.993 423 S CB -0.303 62.943 63.200 0.078 0.000 0.808 423 S HN 0.485 nan 8.310 nan 0.000 0.478 424 A N 1.004 123.895 122.820 0.118 0.000 1.897 424 A HA 0.023 4.343 4.320 0.001 0.000 0.215 424 A C 1.854 179.562 177.584 0.207 0.000 1.181 424 A CA 1.097 53.210 52.037 0.127 0.000 0.620 424 A CB -0.829 18.221 19.000 0.084 0.000 0.821 424 A HN 0.487 nan 8.150 nan 0.000 0.443 425 F N 1.966 121.968 119.950 0.088 0.000 2.161 425 F HA -0.176 4.352 4.527 0.001 0.000 0.300 425 F C 2.294 178.241 175.800 0.245 0.000 1.089 425 F CA 2.126 60.224 58.000 0.164 0.000 1.282 425 F CB -0.922 38.133 39.000 0.091 0.000 1.010 425 F HN 0.224 nan 8.300 nan 0.000 0.485 426 T N 1.057 115.623 114.554 0.020 0.000 2.544 426 T HA -0.298 4.053 4.350 0.001 0.000 0.264 426 T C 1.900 176.522 174.700 -0.131 0.000 1.096 426 T CA 2.359 64.401 62.100 -0.098 0.000 1.181 426 T CB -0.445 68.439 68.868 0.027 0.000 0.864 426 T HN 0.277 nan 8.240 nan 0.000 0.415 427 K N -0.463 119.922 120.400 -0.024 0.000 2.280 427 K HA -0.099 4.222 4.320 0.001 0.000 0.202 427 K C 2.023 178.602 176.600 -0.034 0.000 1.047 427 K CA 0.996 57.267 56.287 -0.027 0.000 0.942 427 K CB -0.157 32.352 32.500 0.015 0.000 0.739 427 K HN 0.489 nan 8.250 nan 0.000 0.457 428 W N 2.433 123.634 121.300 -0.165 0.000 2.407 428 W HA -0.151 4.510 4.660 0.001 0.000 0.305 428 W C 2.048 178.449 176.519 -0.195 0.000 1.196 428 W CA 1.386 58.650 57.345 -0.136 0.000 1.311 428 W CB -0.035 29.394 29.460 -0.051 0.000 1.135 428 W HN 0.008 nan 8.180 nan 0.000 0.514 429 E N 1.094 121.086 120.200 -0.346 0.000 2.114 429 E HA -0.264 4.087 4.350 0.001 0.000 0.199 429 E C 1.927 178.217 176.600 -0.517 0.000 1.008 429 E CA 2.265 58.342 56.400 -0.539 0.000 0.810 429 E CB -0.293 29.099 29.700 -0.515 0.000 0.739 429 E HN 0.267 nan 8.360 nan 0.000 0.456 430 K N -0.053 120.125 120.400 -0.370 0.000 1.975 430 K HA -0.194 4.127 4.320 0.001 0.000 0.225 430 K C 1.395 177.809 176.600 -0.311 0.000 1.050 430 K CA 1.550 57.675 56.287 -0.271 0.000 0.992 430 K CB -0.374 32.011 32.500 -0.191 0.000 0.738 430 K HN 0.024 nan 8.250 nan 0.000 0.446 431 R N 1.710 122.011 120.500 -0.332 0.000 3.688 431 R HA 0.046 4.387 4.340 0.001 0.000 0.194 431 R C -1.094 174.939 176.300 -0.445 0.000 1.677 431 R CA 0.133 56.051 56.100 -0.303 0.000 1.351 431 R CB -0.199 29.970 30.300 -0.218 0.000 1.338 431 R HN 0.175 nan 8.270 nan 0.000 0.731 432 S N 0.000 115.434 115.700 -0.443 0.000 2.498 432 S HA 0.000 4.471 4.470 0.001 0.000 0.327 432 S CA 0.000 57.915 58.200 -0.475 0.000 1.107 432 S CB 0.000 62.577 63.200 -1.039 0.000 0.593 432 S HN 0.000 nan 8.310 nan 0.000 0.517