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 2c6s_1_A DATA FIRST_RESID 49 DATA SEQUENCE TGGRNSIRYS ELAPLFDTTR VYLVDNKSTD VASLNYQNDH SNFLTTVIQN DATA SEQUENCE NDYSPGEAST QTINLDDRSH WGGDLKTILH TNMPNVNEFM FTNKFKARVM DATA SEQUENCE VSRSLTKDKQ VELKYEWVEF TLPEGNYSET MTIDLMNNAI VEHYLKVGRQ DATA SEQUENCE NGVLESDIGV KFDTRNFRLG FDPVTGLVMP GVYTNEAFHP DIILLPGCGV DATA SEQUENCE DFTHSRLSNL LGIRKRQPFQ EGFRITYDDL EGGNIPALLD VDAYQASLXX DATA SEQUENCE XXXXXXXXXX XXXLKPVIKP LTEDSKKRSY NLISNDSTFT QYRSWYLAYN DATA SEQUENCE YGDPQTGIRS WTLLCTPDVT CGSEQVYWSL PDMMQDPVTF RSTSQISNFP DATA SEQUENCE VVGAELLPVH SKSFYNDQAV YSQLIRQFTS LTHVFNRFPE NQILARPPAP DATA SEQUENCE TITTVSENVP ALTDHGTLPL RNSIGGVQRV TITDARRRTC PYVYKALGIV DATA SEQUENCE SPRVLSSRT 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 49 T HA 0.000 nan 4.350 nan 0.000 0.228 49 T C 0.000 174.671 174.700 -0.049 0.000 1.109 49 T CA 0.000 62.053 62.100 -0.078 0.000 1.349 49 T CB 0.000 68.840 68.868 -0.046 0.000 0.612 50 G N 1.376 110.162 108.800 -0.024 0.000 2.559 50 G HA2 0.333 4.292 3.960 -0.001 0.000 0.216 50 G HA3 0.333 4.292 3.960 -0.001 0.000 0.216 50 G C 1.047 175.939 174.900 -0.013 0.000 1.126 50 G CA 1.075 46.175 45.100 0.001 0.000 0.778 50 G HN 0.708 nan 8.290 nan 0.000 0.543 51 G N 0.278 109.054 108.800 -0.040 0.000 2.961 51 G HA2 0.199 4.159 3.960 -0.001 0.000 0.150 51 G HA3 0.199 4.159 3.960 -0.001 0.000 0.150 51 G C 0.222 175.082 174.900 -0.068 0.000 1.864 51 G CA -0.485 44.582 45.100 -0.055 0.000 0.992 51 G HN 0.169 nan 8.290 nan 0.000 0.458 52 R N 1.760 122.214 120.500 -0.076 0.000 2.215 52 R HA 0.220 4.559 4.340 -0.001 0.000 0.337 52 R C -0.530 175.746 176.300 -0.041 0.000 1.010 52 R CA -0.356 55.708 56.100 -0.061 0.000 0.871 52 R CB 0.624 30.893 30.300 -0.051 0.000 1.134 52 R HN 0.656 nan 8.270 nan 0.000 0.477 53 N N -0.982 117.745 118.700 0.046 0.000 2.351 53 N HA 0.008 4.748 4.740 -0.001 0.000 0.254 53 N C -0.856 174.957 175.510 0.506 0.000 1.241 53 N CA -0.504 52.668 53.050 0.204 0.000 0.883 53 N CB 0.583 39.148 38.487 0.130 0.000 1.202 53 N HN 0.052 nan 8.380 nan 0.000 0.512 54 S N 0.773 116.675 115.700 0.337 0.000 2.548 54 S HA 0.392 4.862 4.470 -0.001 0.000 0.277 54 S C 0.249 174.992 174.600 0.239 0.000 1.315 54 S CA -0.459 57.895 58.200 0.256 0.000 1.050 54 S CB 0.749 64.005 63.200 0.094 0.000 0.918 54 S HN 0.289 nan 8.310 nan 0.000 0.497 55 I N 2.880 123.539 120.570 0.148 0.000 2.464 55 I HA 0.356 4.525 4.170 -0.001 0.000 0.277 55 I C 0.152 176.290 176.117 0.034 0.000 1.040 55 I CA -0.287 61.003 61.300 -0.018 0.000 1.153 55 I CB 0.851 38.744 38.000 -0.180 0.000 1.274 55 I HN 0.371 nan 8.210 nan 0.000 0.469 56 R N 3.466 123.988 120.500 0.037 0.000 2.407 56 R HA 0.403 4.742 4.340 -0.001 0.000 0.303 56 R C -0.530 175.822 176.300 0.086 0.000 0.981 56 R CA -0.493 55.645 56.100 0.064 0.000 0.905 56 R CB 1.999 32.324 30.300 0.042 0.000 1.099 56 R HN 0.418 nan 8.270 nan 0.000 0.459 57 Y N 1.247 121.536 120.300 -0.018 0.000 3.033 57 Y HA 0.201 4.751 4.550 -0.001 0.000 0.491 57 Y C 1.251 177.136 175.900 -0.024 0.000 1.358 57 Y CA 0.050 58.132 58.100 -0.029 0.000 1.979 57 Y CB -0.338 38.114 38.460 -0.014 0.000 1.668 57 Y HN 0.563 nan 8.280 nan 0.000 0.729 58 S N -0.281 114.814 115.700 -1.008 0.000 2.646 58 S HA 0.082 4.551 4.470 -0.001 0.000 0.192 58 S C 0.578 174.981 174.600 -0.329 0.000 1.218 58 S CA 0.279 58.052 58.200 -0.711 0.000 1.545 58 S CB -0.521 62.113 63.200 -0.943 0.000 0.737 58 S HN 0.546 nan 8.310 nan 0.000 0.467 59 E N 0.793 120.851 120.200 -0.236 0.000 2.301 59 E HA 0.141 4.490 4.350 -0.001 0.000 0.195 59 E C 0.219 176.803 176.600 -0.027 0.000 1.171 59 E CA -0.230 56.118 56.400 -0.086 0.000 1.142 59 E CB -0.041 29.637 29.700 -0.037 0.000 1.218 59 E HN 0.272 nan 8.360 nan 0.000 0.448 60 L N 0.303 121.514 121.223 -0.020 0.000 2.543 60 L HA 0.410 4.750 4.340 -0.001 0.000 0.181 60 L C -0.090 176.839 176.870 0.098 0.000 1.437 60 L CA 0.181 55.090 54.840 0.115 0.000 3.059 60 L CB 0.138 42.395 42.059 0.331 0.000 2.916 60 L HN -0.012 nan 8.230 nan 0.000 1.037 61 A N -0.926 121.972 122.820 0.130 0.000 2.422 61 A HA 0.736 5.055 4.320 -0.001 0.000 0.302 61 A C -2.632 175.023 177.584 0.119 0.000 1.041 61 A CA -1.244 50.857 52.037 0.106 0.000 0.708 61 A CB 0.759 19.814 19.000 0.093 0.000 1.257 61 A HN 0.303 nan 8.150 nan 0.000 0.414 62 P HA 0.420 nan 4.420 nan 0.000 0.276 62 P C -1.074 176.355 177.300 0.214 0.000 1.264 62 P CA 0.232 63.445 63.100 0.188 0.000 0.769 62 P CB 0.373 32.203 31.700 0.217 0.000 0.840 63 L N 5.366 126.683 121.223 0.156 0.000 2.335 63 L HA 0.406 4.746 4.340 -0.001 0.000 0.268 63 L C 0.003 176.942 176.870 0.115 0.000 1.037 63 L CA -0.813 54.061 54.840 0.057 0.000 0.895 63 L CB -0.239 41.825 42.059 0.007 0.000 1.266 63 L HN 0.318 nan 8.230 nan 0.000 0.439 64 F N 0.324 120.305 119.950 0.052 0.000 2.410 64 F HA 0.682 5.209 4.527 -0.001 0.000 0.348 64 F C 0.001 175.861 175.800 0.100 0.000 1.106 64 F CA -0.907 57.147 58.000 0.089 0.000 1.163 64 F CB 0.565 39.621 39.000 0.093 0.000 1.129 64 F HN 0.341 nan 8.300 nan 0.000 0.516 65 D N 1.344 121.937 120.400 0.322 0.000 9.781 65 D HA -0.166 4.473 4.640 -0.001 0.000 0.283 65 D C -0.117 176.283 176.300 0.166 0.000 2.757 65 D CA 0.764 54.925 54.000 0.268 0.000 2.589 65 D CB -0.539 40.353 40.800 0.154 0.000 1.049 65 D HN 1.165 nan 8.370 nan 0.000 0.767 66 T N 0.740 115.430 114.554 0.227 0.000 0.604 66 T HA -0.114 4.236 4.350 -0.001 0.000 0.769 66 T C -0.058 174.632 174.700 -0.017 0.000 0.992 66 T CA 1.941 64.097 62.100 0.094 0.000 4.043 66 T CB -0.036 68.891 68.868 0.100 0.000 2.285 66 T HN 0.626 nan 8.240 nan 0.000 0.397 67 T N 4.548 119.050 114.554 -0.087 0.000 2.645 67 T HA 0.653 5.002 4.350 -0.001 0.000 0.300 67 T C -1.418 173.177 174.700 -0.175 0.000 1.210 67 T CA -0.963 61.069 62.100 -0.114 0.000 1.034 67 T CB 0.945 69.746 68.868 -0.111 0.000 1.537 67 T HN 0.642 nan 8.240 nan 0.000 0.492 68 R N 1.495 121.856 120.500 -0.232 0.000 2.445 68 R HA 0.649 4.988 4.340 -0.001 0.000 0.308 68 R C -0.869 175.092 176.300 -0.564 0.000 0.961 68 R CA -0.571 55.273 56.100 -0.427 0.000 0.862 68 R CB 1.403 31.387 30.300 -0.527 0.000 1.144 68 R HN 0.485 nan 8.270 nan 0.000 0.447 69 V N 0.973 120.557 119.914 -0.549 0.000 2.581 69 V HA 0.560 4.679 4.120 -0.001 0.000 0.303 69 V C -0.823 174.973 176.094 -0.496 0.000 1.041 69 V CA -1.118 60.916 62.300 -0.444 0.000 0.907 69 V CB 1.270 32.945 31.823 -0.248 0.000 0.994 69 V HN 0.586 nan 8.190 nan 0.000 0.442 70 Y N 3.123 123.398 120.300 -0.043 0.000 2.331 70 Y HA 0.674 5.224 4.550 -0.001 0.000 0.334 70 Y C -0.232 175.673 175.900 0.010 0.000 0.960 70 Y CA -0.881 57.211 58.100 -0.014 0.000 1.130 70 Y CB 1.856 40.314 38.460 -0.004 0.000 1.164 70 Y HN 0.503 nan 8.280 nan 0.000 0.458 71 L N 5.656 126.982 121.223 0.171 0.000 2.288 71 L HA 0.515 4.855 4.340 -0.001 0.000 0.283 71 L C -0.701 176.322 176.870 0.256 0.000 1.072 71 L CA -0.742 54.192 54.840 0.156 0.000 0.862 71 L CB -0.022 42.085 42.059 0.081 0.000 1.245 71 L HN 0.372 nan 8.230 nan 0.000 0.432 72 V N -1.398 118.683 119.914 0.277 0.000 2.555 72 V HA 0.405 4.525 4.120 -0.001 0.000 0.302 72 V C 0.188 176.481 176.094 0.332 0.000 1.038 72 V CA -0.778 61.684 62.300 0.271 0.000 0.887 72 V CB 1.662 33.574 31.823 0.147 0.000 0.991 72 V HN 0.627 nan 8.190 nan 0.000 0.434 73 D N 2.019 122.560 120.400 0.235 0.000 2.213 73 D HA -0.110 4.529 4.640 -0.001 0.000 0.205 73 D C 1.335 177.602 176.300 -0.054 0.000 0.961 73 D CA 1.105 55.038 54.000 -0.111 0.000 0.853 73 D CB -0.374 40.196 40.800 -0.383 0.000 0.967 73 D HN 0.619 nan 8.370 nan 0.000 0.496 74 N N -0.191 118.531 118.700 0.036 0.000 2.571 74 N HA -0.039 4.701 4.740 -0.001 0.000 0.189 74 N C -0.088 175.436 175.510 0.024 0.000 1.154 74 N CA 0.039 53.109 53.050 0.033 0.000 0.907 74 N CB 0.057 38.571 38.487 0.044 0.000 0.977 74 N HN 0.043 nan 8.380 nan 0.000 0.449 75 K N 0.969 121.389 120.400 0.034 0.000 2.402 75 K HA 0.005 4.324 4.320 -0.001 0.000 0.279 75 K C 0.715 177.327 176.600 0.020 0.000 1.082 75 K CA -0.100 56.206 56.287 0.033 0.000 1.080 75 K CB 0.623 33.154 32.500 0.052 0.000 0.899 75 K HN 0.164 nan 8.250 nan 0.000 0.469 76 S N 1.798 117.506 115.700 0.014 0.000 2.374 76 S HA -0.203 4.267 4.470 -0.001 0.000 0.227 76 S C 1.940 176.543 174.600 0.005 0.000 1.037 76 S CA 2.197 60.401 58.200 0.008 0.000 1.024 76 S CB -0.262 62.942 63.200 0.006 0.000 0.861 76 S HN 0.807 nan 8.310 nan 0.000 0.456 77 T N 1.933 116.493 114.554 0.011 0.000 2.737 77 T HA -0.148 4.202 4.350 -0.001 0.000 0.265 77 T C 1.550 176.253 174.700 0.005 0.000 1.038 77 T CA 1.474 63.580 62.100 0.010 0.000 1.144 77 T CB -0.753 68.128 68.868 0.022 0.000 0.866 77 T HN 0.621 nan 8.240 nan 0.000 0.434 78 D N 1.529 121.939 120.400 0.016 0.000 2.234 78 D HA -0.022 4.617 4.640 -0.001 0.000 0.205 78 D C 2.023 178.328 176.300 0.008 0.000 0.962 78 D CA 0.278 54.290 54.000 0.020 0.000 0.855 78 D CB -0.988 39.840 40.800 0.047 0.000 0.951 78 D HN 0.344 nan 8.370 nan 0.000 0.500 79 V N 0.781 120.694 119.914 -0.001 0.000 2.380 79 V HA -0.273 3.846 4.120 -0.001 0.000 0.251 79 V C 2.612 178.701 176.094 -0.009 0.000 1.063 79 V CA 2.014 64.308 62.300 -0.011 0.000 1.055 79 V CB -0.860 30.955 31.823 -0.013 0.000 0.657 79 V HN 0.467 nan 8.190 nan 0.000 0.455 80 A N -1.264 121.530 122.820 -0.043 0.000 1.850 80 A HA -0.116 4.204 4.320 -0.001 0.000 0.212 80 A C 2.468 179.951 177.584 -0.168 0.000 1.208 80 A CA 1.727 53.688 52.037 -0.127 0.000 0.609 80 A CB -0.658 18.273 19.000 -0.116 0.000 0.860 80 A HN 0.461 nan 8.150 nan 0.000 0.448 81 S N -0.689 114.958 115.700 -0.089 0.000 2.368 81 S HA 0.109 4.578 4.470 -0.001 0.000 0.224 81 S C 0.588 175.170 174.600 -0.029 0.000 1.029 81 S CA 1.342 59.501 58.200 -0.068 0.000 0.988 81 S CB -0.489 62.693 63.200 -0.030 0.000 0.838 81 S HN 0.496 nan 8.310 nan 0.000 0.462 82 L N -1.320 119.908 121.223 0.008 0.000 2.359 82 L HA 0.644 4.983 4.340 -0.001 0.000 0.256 82 L C -0.057 176.855 176.870 0.069 0.000 1.026 82 L CA -1.081 53.789 54.840 0.049 0.000 0.828 82 L CB 1.014 43.105 42.059 0.052 0.000 1.406 82 L HN -0.130 nan 8.230 nan 0.000 0.413 83 N N -1.036 117.719 118.700 0.092 0.000 2.965 83 N HA -0.321 4.419 4.740 -0.001 0.000 0.232 83 N C 0.772 176.344 175.510 0.104 0.000 0.913 83 N CA 1.667 54.761 53.050 0.075 0.000 0.981 83 N CB -1.400 37.092 38.487 0.009 0.000 1.077 83 N HN 0.956 nan 8.380 nan 0.000 0.589 84 Y N 2.041 122.327 120.300 -0.023 0.000 2.069 84 Y HA -0.245 4.304 4.550 -0.001 0.000 0.278 84 Y C 2.105 177.987 175.900 -0.031 0.000 1.175 84 Y CA 2.802 60.886 58.100 -0.027 0.000 1.134 84 Y CB -0.177 38.275 38.460 -0.013 0.000 0.965 84 Y HN 0.465 nan 8.280 nan 0.000 0.498 85 Q N 0.379 120.209 119.800 0.050 0.000 2.341 85 Q HA 0.284 4.623 4.340 -0.001 0.000 0.325 85 Q C -0.903 175.079 176.000 -0.031 0.000 0.920 85 Q CA -0.251 55.504 55.803 -0.080 0.000 1.065 85 Q CB -0.063 28.619 28.738 -0.093 0.000 1.218 85 Q HN 0.371 nan 8.270 nan 0.000 0.434 86 N N 1.224 119.914 118.700 -0.016 0.000 2.405 86 N HA 0.205 4.944 4.740 -0.001 0.000 0.285 86 N C -1.232 174.244 175.510 -0.055 0.000 1.262 86 N CA -0.302 52.744 53.050 -0.006 0.000 0.773 86 N CB 2.032 40.550 38.487 0.051 0.000 1.490 86 N HN 0.266 nan 8.380 nan 0.000 0.486 87 D N -0.997 119.382 120.400 -0.036 0.000 2.509 87 D HA 0.224 4.863 4.640 -0.001 0.000 0.275 87 D C 0.313 176.569 176.300 -0.073 0.000 1.189 87 D CA 0.193 54.163 54.000 -0.050 0.000 1.098 87 D CB 0.316 41.103 40.800 -0.021 0.000 1.177 87 D HN 0.491 nan 8.370 nan 0.000 0.599 88 H N -2.224 116.802 119.070 -0.074 0.000 2.622 88 H HA 0.327 4.882 4.556 -0.001 0.000 0.269 88 H C 0.843 176.255 175.328 0.140 0.000 0.977 88 H CA 0.308 56.303 56.048 -0.088 0.000 1.179 88 H CB 0.653 30.368 29.762 -0.078 0.000 1.458 88 H HN 0.183 nan 8.280 nan 0.000 0.531 89 S N 0.412 116.237 115.700 0.208 0.000 2.597 89 S HA 0.078 4.548 4.470 -0.001 0.000 0.224 89 S C -0.135 174.556 174.600 0.152 0.000 0.955 89 S CA -0.202 58.080 58.200 0.136 0.000 0.933 89 S CB -0.467 62.760 63.200 0.044 0.000 0.788 89 S HN 0.502 nan 8.310 nan 0.000 0.488 90 N N 0.677 119.540 118.700 0.272 0.000 2.905 90 N HA 0.339 5.078 4.740 -0.001 0.000 0.255 90 N C -1.003 174.721 175.510 0.358 0.000 1.199 90 N CA -0.621 52.566 53.050 0.229 0.000 0.911 90 N CB 0.336 38.900 38.487 0.129 0.000 1.550 90 N HN 0.217 nan 8.380 nan 0.000 0.599 91 F N 0.652 120.622 119.950 0.033 0.000 2.779 91 F HA 0.737 5.264 4.527 -0.001 0.000 0.316 91 F C -2.011 173.804 175.800 0.025 0.000 1.164 91 F CA -1.279 56.733 58.000 0.020 0.000 0.924 91 F CB 1.181 40.183 39.000 0.003 0.000 1.348 91 F HN 0.068 nan 8.300 nan 0.000 0.467 92 L N 1.400 122.806 121.223 0.305 0.000 2.346 92 L HA 0.770 5.110 4.340 -0.001 0.000 0.276 92 L C -0.617 176.386 176.870 0.221 0.000 1.006 92 L CA -0.602 54.317 54.840 0.132 0.000 0.817 92 L CB 2.161 44.273 42.059 0.088 0.000 1.272 92 L HN 0.738 nan 8.230 nan 0.000 0.421 93 T N -0.297 114.330 114.554 0.121 0.000 2.863 93 T HA 0.432 4.781 4.350 -0.001 0.000 0.285 93 T C -0.110 174.636 174.700 0.076 0.000 1.009 93 T CA -0.668 61.525 62.100 0.154 0.000 0.989 93 T CB 1.669 70.639 68.868 0.169 0.000 1.004 93 T HN 0.678 nan 8.240 nan 0.000 0.455 94 T N 0.206 114.804 114.554 0.074 0.000 2.739 94 T HA 0.298 4.647 4.350 -0.001 0.000 0.298 94 T C 1.270 175.991 174.700 0.035 0.000 0.929 94 T CA -0.783 61.343 62.100 0.043 0.000 1.014 94 T CB -0.015 68.878 68.868 0.042 0.000 0.914 94 T HN 0.422 nan 8.240 nan 0.000 0.509 95 V N 1.644 121.563 119.914 0.009 0.000 3.623 95 V HA 0.337 4.456 4.120 -0.001 0.000 0.271 95 V C 0.912 176.973 176.094 -0.055 0.000 1.248 95 V CA -0.043 62.251 62.300 -0.010 0.000 1.156 95 V CB -1.044 30.757 31.823 -0.036 0.000 0.870 95 V HN 0.857 nan 8.190 nan 0.000 0.453 96 I N 1.857 122.394 120.570 -0.055 0.000 2.260 96 I HA 0.203 4.372 4.170 -0.001 0.000 0.297 96 I C 0.433 176.516 176.117 -0.057 0.000 1.143 96 I CA -0.013 61.218 61.300 -0.116 0.000 1.271 96 I CB 0.744 38.704 38.000 -0.066 0.000 1.461 96 I HN 0.219 nan 8.210 nan 0.000 0.530 97 Q N 3.589 123.351 119.800 -0.064 0.000 2.404 97 Q HA 0.107 4.446 4.340 -0.001 0.000 0.272 97 Q C 0.044 176.044 176.000 -0.001 0.000 0.939 97 Q CA 0.049 55.850 55.803 -0.003 0.000 0.945 97 Q CB -0.484 28.277 28.738 0.039 0.000 1.195 97 Q HN 0.411 nan 8.270 nan 0.000 0.415 98 N N 0.773 119.491 118.700 0.030 0.000 2.425 98 N HA 0.032 4.771 4.740 -0.001 0.000 0.268 98 N C 0.395 176.007 175.510 0.171 0.000 0.991 98 N CA -0.095 53.036 53.050 0.135 0.000 0.931 98 N CB 1.037 39.713 38.487 0.314 0.000 1.130 98 N HN 0.179 nan 8.380 nan 0.000 0.493 99 N N 3.381 122.142 118.700 0.103 0.000 2.104 99 N HA -0.182 4.558 4.740 -0.001 0.000 0.190 99 N C -0.009 175.531 175.510 0.049 0.000 1.024 99 N CA 1.765 54.852 53.050 0.062 0.000 0.853 99 N CB 0.044 38.548 38.487 0.028 0.000 1.008 99 N HN 0.524 nan 8.380 nan 0.000 0.424 100 D N -1.422 118.981 120.400 0.005 0.000 2.338 100 D HA 0.052 4.692 4.640 -0.001 0.000 0.239 100 D C -0.684 175.477 176.300 -0.231 0.000 1.095 100 D CA 0.510 54.411 54.000 -0.165 0.000 0.888 100 D CB -0.092 40.513 40.800 -0.325 0.000 0.899 100 D HN 0.434 nan 8.370 nan 0.000 0.525 101 Y N -0.414 119.912 120.300 0.043 0.000 2.485 101 Y HA 0.292 4.841 4.550 -0.001 0.000 0.345 101 Y C 0.461 176.380 175.900 0.031 0.000 0.998 101 Y CA -1.495 56.632 58.100 0.045 0.000 1.059 101 Y CB 1.663 40.167 38.460 0.074 0.000 1.234 101 Y HN -0.311 nan 8.280 nan 0.000 0.461 102 S N 3.532 119.369 115.700 0.229 0.000 2.498 102 S HA 0.100 4.569 4.470 -0.001 0.000 0.281 102 S C -1.930 172.726 174.600 0.094 0.000 1.265 102 S CA -1.029 57.242 58.200 0.119 0.000 1.071 102 S CB 0.518 63.774 63.200 0.093 0.000 0.894 102 S HN 0.439 nan 8.310 nan 0.000 0.491 103 P HA 0.046 nan 4.420 nan 0.000 0.228 103 P C 1.390 178.710 177.300 0.033 0.000 1.151 103 P CA 0.828 63.958 63.100 0.049 0.000 0.770 103 P CB -0.141 31.582 31.700 0.038 0.000 0.786 104 G N 0.172 108.990 108.800 0.030 0.000 2.425 104 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.213 104 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.213 104 G C 1.407 176.317 174.900 0.017 0.000 1.201 104 G CA 0.182 45.294 45.100 0.021 0.000 0.799 104 G HN 0.252 nan 8.290 nan 0.000 0.534 105 E N 1.120 121.336 120.200 0.026 0.000 2.516 105 E HA 0.107 4.456 4.350 -0.001 0.000 0.199 105 E C 2.371 178.957 176.600 -0.022 0.000 1.069 105 E CA 0.563 56.972 56.400 0.015 0.000 0.876 105 E CB -0.074 29.654 29.700 0.046 0.000 0.843 105 E HN 0.332 nan 8.360 nan 0.000 0.530 106 A N 0.792 123.604 122.820 -0.013 0.000 1.930 106 A HA -0.145 4.175 4.320 -0.001 0.000 0.215 106 A C 2.305 179.864 177.584 -0.041 0.000 1.176 106 A CA 1.394 53.404 52.037 -0.045 0.000 0.632 106 A CB -0.607 18.393 19.000 0.000 0.000 0.819 106 A HN 0.434 nan 8.150 nan 0.000 0.445 107 S N 0.149 115.837 115.700 -0.020 0.000 2.392 107 S HA -0.242 4.227 4.470 -0.001 0.000 0.232 107 S C 1.887 176.470 174.600 -0.028 0.000 1.041 107 S CA 2.384 60.573 58.200 -0.018 0.000 1.026 107 S CB -1.443 61.753 63.200 -0.008 0.000 0.845 107 S HN 0.532 nan 8.310 nan 0.000 0.465 108 T N 2.122 116.653 114.554 -0.037 0.000 2.624 108 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 108 T C 0.889 175.553 174.700 -0.061 0.000 1.041 108 T CA 1.723 63.795 62.100 -0.047 0.000 1.159 108 T CB -0.592 68.240 68.868 -0.060 0.000 0.863 108 T HN 0.677 nan 8.240 nan 0.000 0.434 109 Q N 1.476 121.226 119.800 -0.083 0.000 2.394 109 Q HA 0.381 4.721 4.340 -0.001 0.000 0.248 109 Q C -0.141 175.846 176.000 -0.023 0.000 0.992 109 Q CA 0.016 55.768 55.803 -0.084 0.000 0.888 109 Q CB 0.616 29.279 28.738 -0.126 0.000 1.257 109 Q HN 0.358 nan 8.270 nan 0.000 0.462 110 T N -0.143 114.402 114.554 -0.016 0.000 2.856 110 T HA 0.341 4.690 4.350 -0.001 0.000 0.283 110 T C 0.701 175.430 174.700 0.048 0.000 1.008 110 T CA -0.830 61.269 62.100 -0.002 0.000 0.997 110 T CB 1.136 69.990 68.868 -0.024 0.000 0.992 110 T HN 0.373 nan 8.240 nan 0.000 0.454 111 I N 1.164 121.745 120.570 0.018 0.000 2.286 111 I HA -0.056 4.114 4.170 -0.001 0.000 0.245 111 I C 0.485 176.591 176.117 -0.019 0.000 1.104 111 I CA 1.054 62.359 61.300 0.010 0.000 1.397 111 I CB -1.008 36.953 38.000 -0.066 0.000 1.072 111 I HN 0.805 nan 8.210 nan 0.000 0.417 112 N N 1.857 120.529 118.700 -0.047 0.000 2.537 112 N HA -0.207 4.532 4.740 -0.001 0.000 0.286 112 N C -0.420 175.028 175.510 -0.105 0.000 1.245 112 N CA 0.344 53.362 53.050 -0.052 0.000 0.704 112 N CB -1.479 36.996 38.487 -0.020 0.000 0.910 112 N HN 0.254 nan 8.380 nan 0.000 0.542 113 L N 0.741 121.849 121.223 -0.192 0.000 2.417 113 L HA 0.147 4.486 4.340 -0.001 0.000 0.268 113 L C 1.159 178.070 176.870 0.069 0.000 1.158 113 L CA -0.277 54.347 54.840 -0.359 0.000 0.819 113 L CB 0.376 41.952 42.059 -0.805 0.000 1.112 113 L HN 0.281 nan 8.230 nan 0.000 0.458 114 D N 0.665 121.329 120.400 0.440 0.000 2.493 114 D HA -0.029 4.610 4.640 -0.001 0.000 0.240 114 D C -0.318 176.174 176.300 0.320 0.000 1.142 114 D CA 0.014 54.252 54.000 0.397 0.000 0.872 114 D CB 0.671 41.677 40.800 0.345 0.000 1.173 114 D HN 0.425 nan 8.370 nan 0.000 0.467 115 D N 2.535 123.007 120.400 0.119 0.000 2.881 115 D HA 0.141 4.781 4.640 -0.001 0.000 0.240 115 D C 0.864 177.147 176.300 -0.029 0.000 1.249 115 D CA -0.184 53.831 54.000 0.026 0.000 0.839 115 D CB 0.321 41.128 40.800 0.011 0.000 1.042 115 D HN 0.258 nan 8.370 nan 0.000 0.475 116 R N -0.306 120.165 120.500 -0.047 0.000 2.412 116 R HA 0.230 4.569 4.340 -0.001 0.000 0.212 116 R C -0.364 175.848 176.300 -0.147 0.000 0.878 116 R CA 0.169 56.220 56.100 -0.081 0.000 1.022 116 R CB 0.738 31.002 30.300 -0.060 0.000 1.265 116 R HN 0.113 nan 8.270 nan 0.000 0.620 117 S N -0.246 115.310 115.700 -0.241 0.000 2.542 117 S HA 0.402 4.871 4.470 -0.001 0.000 0.293 117 S C -1.208 173.119 174.600 -0.455 0.000 1.089 117 S CA -0.882 57.116 58.200 -0.337 0.000 0.961 117 S CB 1.731 64.653 63.200 -0.464 0.000 1.062 117 S HN 0.124 nan 8.310 nan 0.000 0.483 118 H N 0.516 119.478 119.070 -0.180 0.000 2.767 118 H HA 0.155 4.711 4.556 -0.001 0.000 0.316 118 H C -0.939 174.342 175.328 -0.078 0.000 1.059 118 H CA 0.242 56.252 56.048 -0.065 0.000 1.461 118 H CB 0.378 30.124 29.762 -0.026 0.000 1.475 118 H HN 0.574 nan 8.280 nan 0.000 0.531 119 W N 1.650 122.965 121.300 0.024 0.000 2.359 119 W HA 0.470 5.129 4.660 -0.001 0.000 0.344 119 W C 0.725 177.269 176.519 0.043 0.000 1.170 119 W CA -0.382 56.975 57.345 0.021 0.000 1.296 119 W CB 1.240 30.694 29.460 -0.011 0.000 1.197 119 W HN 0.615 nan 8.180 nan 0.000 0.618 120 G N -0.415 108.579 108.800 0.324 0.000 2.714 120 G HA2 0.703 4.662 3.960 -0.001 0.000 0.292 120 G HA3 0.703 4.662 3.960 -0.001 0.000 0.292 120 G C -1.367 173.618 174.900 0.143 0.000 1.308 120 G CA -0.947 44.259 45.100 0.176 0.000 0.964 120 G HN 0.695 nan 8.290 nan 0.000 0.484 121 G N -0.576 108.261 108.800 0.063 0.000 2.719 121 G HA2 0.468 4.427 3.960 -0.001 0.000 0.298 121 G HA3 0.468 4.427 3.960 -0.001 0.000 0.298 121 G C -1.634 173.262 174.900 -0.006 0.000 1.433 121 G CA -0.556 44.554 45.100 0.016 0.000 1.034 121 G HN 0.586 nan 8.290 nan 0.000 0.517 122 D N 0.901 121.292 120.400 -0.015 0.000 2.371 122 D HA 0.335 4.974 4.640 -0.001 0.000 0.256 122 D C -0.055 176.212 176.300 -0.054 0.000 1.193 122 D CA -0.110 53.872 54.000 -0.030 0.000 0.881 122 D CB 1.009 41.792 40.800 -0.027 0.000 1.143 122 D HN 0.254 nan 8.370 nan 0.000 0.473 123 L N 3.858 125.047 121.223 -0.057 0.000 2.287 123 L HA 0.495 4.834 4.340 -0.001 0.000 0.287 123 L C -1.003 175.806 176.870 -0.103 0.000 1.022 123 L CA -0.359 54.432 54.840 -0.081 0.000 0.814 123 L CB 1.013 43.025 42.059 -0.078 0.000 1.217 123 L HN 0.274 nan 8.230 nan 0.000 0.420 124 K N 2.497 122.827 120.400 -0.117 0.000 2.259 124 K HA 0.787 5.106 4.320 -0.001 0.000 0.252 124 K C -1.028 175.472 176.600 -0.167 0.000 0.936 124 K CA -0.620 55.592 56.287 -0.125 0.000 0.810 124 K CB 2.042 34.496 32.500 -0.076 0.000 1.143 124 K HN 0.720 nan 8.250 nan 0.000 0.427 125 T N -0.666 113.770 114.554 -0.195 0.000 2.893 125 T HA 0.591 4.941 4.350 -0.001 0.000 0.293 125 T C -0.425 174.240 174.700 -0.058 0.000 1.027 125 T CA -0.790 61.143 62.100 -0.279 0.000 0.988 125 T CB 0.758 69.065 68.868 -0.936 0.000 1.043 125 T HN 0.319 nan 8.240 nan 0.000 0.461 126 I N 3.180 123.783 120.570 0.055 0.000 2.405 126 I HA 0.415 4.584 4.170 -0.001 0.000 0.280 126 I C -0.917 175.364 176.117 0.274 0.000 1.027 126 I CA -0.769 60.615 61.300 0.139 0.000 1.161 126 I CB 1.396 39.456 38.000 0.100 0.000 1.300 126 I HN 0.496 nan 8.210 nan 0.000 0.463 127 L N 7.170 128.590 121.223 0.328 0.000 2.329 127 L HA 0.577 4.917 4.340 -0.001 0.000 0.279 127 L C -1.067 176.004 176.870 0.335 0.000 1.014 127 L CA -0.047 55.036 54.840 0.406 0.000 0.814 127 L CB 1.119 43.503 42.059 0.543 0.000 1.257 127 L HN 0.534 nan 8.230 nan 0.000 0.424 128 H N 2.483 121.653 119.070 0.167 0.000 2.954 128 H HA 0.567 5.122 4.556 -0.001 0.000 0.361 128 H C -1.398 174.010 175.328 0.133 0.000 1.122 128 H CA -0.309 55.812 56.048 0.122 0.000 1.217 128 H CB 1.805 31.615 29.762 0.080 0.000 1.776 128 H HN 0.796 nan 8.280 nan 0.000 0.533 129 T N 1.188 115.495 114.554 -0.411 0.000 2.930 129 T HA 0.309 4.658 4.350 -0.001 0.000 0.290 129 T C 0.310 174.850 174.700 -0.266 0.000 1.052 129 T CA -1.059 60.922 62.100 -0.198 0.000 1.017 129 T CB 1.794 70.667 68.868 0.008 0.000 1.137 129 T HN 0.678 nan 8.240 nan 0.000 0.511 130 N N 0.263 118.996 118.700 0.055 0.000 2.351 130 N HA 0.186 4.926 4.740 -0.001 0.000 0.254 130 N C -0.357 175.300 175.510 0.244 0.000 1.241 130 N CA -0.194 52.956 53.050 0.166 0.000 0.883 130 N CB 0.503 39.200 38.487 0.349 0.000 1.202 130 N HN 0.580 nan 8.380 nan 0.000 0.512 131 M N 2.692 122.362 119.600 0.117 0.000 2.219 131 M HA 0.211 4.690 4.480 -0.001 0.000 0.353 131 M C -2.207 174.040 176.300 -0.089 0.000 1.304 131 M CA -0.946 54.222 55.300 -0.220 0.000 1.115 131 M CB 0.830 33.210 32.600 -0.366 0.000 1.664 131 M HN -0.031 nan 8.290 nan 0.000 0.459 132 P HA 0.138 nan 4.420 nan 0.000 0.307 132 P C -0.260 177.092 177.300 0.086 0.000 1.306 132 P CA -0.333 62.870 63.100 0.171 0.000 0.742 132 P CB 0.528 32.282 31.700 0.090 0.000 1.349 133 N N -0.836 118.023 118.700 0.266 0.000 2.191 133 N HA -0.020 4.719 4.740 -0.001 0.000 0.193 133 N C -0.028 175.496 175.510 0.023 0.000 1.053 133 N CA 0.553 53.663 53.050 0.101 0.000 0.943 133 N CB -0.802 37.792 38.487 0.178 0.000 1.119 133 N HN -0.008 nan 8.380 nan 0.000 0.487 134 V N 2.067 122.008 119.914 0.046 0.000 2.557 134 V HA 0.026 4.146 4.120 -0.001 0.000 0.301 134 V C 0.073 176.180 176.094 0.020 0.000 1.026 134 V CA 0.481 62.797 62.300 0.026 0.000 1.137 134 V CB 0.022 31.864 31.823 0.032 0.000 0.917 134 V HN 0.488 nan 8.190 nan 0.000 0.484 135 N N 2.811 121.528 118.700 0.030 0.000 2.710 135 N HA 0.273 5.012 4.740 -0.001 0.000 0.257 135 N C 0.480 176.057 175.510 0.112 0.000 1.327 135 N CA -0.664 52.409 53.050 0.038 0.000 0.861 135 N CB 1.844 40.285 38.487 -0.075 0.000 1.532 135 N HN 0.536 nan 8.380 nan 0.000 0.499 136 E N 0.419 120.722 120.200 0.171 0.000 2.008 136 E HA -0.087 4.263 4.350 -0.001 0.000 0.191 136 E C 1.095 177.896 176.600 0.336 0.000 0.986 136 E CA 0.880 57.419 56.400 0.232 0.000 0.807 136 E CB -0.092 29.741 29.700 0.222 0.000 0.766 136 E HN 0.578 nan 8.360 nan 0.000 0.450 137 F N 0.454 120.515 119.950 0.185 0.000 2.269 137 F HA -0.186 4.340 4.527 -0.001 0.000 0.301 137 F C 2.020 177.815 175.800 -0.009 0.000 1.082 137 F CA 0.536 58.623 58.000 0.145 0.000 1.360 137 F CB 0.260 39.337 39.000 0.129 0.000 1.041 137 F HN 0.049 nan 8.300 nan 0.000 0.512 138 M N -0.278 119.191 119.600 -0.219 0.000 2.618 138 M HA 0.031 4.511 4.480 -0.001 0.000 0.240 138 M C -0.184 175.954 176.300 -0.271 0.000 1.123 138 M CA 0.149 55.203 55.300 -0.410 0.000 1.060 138 M CB -1.207 31.239 32.600 -0.257 0.000 1.535 138 M HN 0.115 nan 8.290 nan 0.000 0.507 139 F N -0.039 119.848 119.950 -0.105 0.000 3.039 139 F HA -0.250 4.276 4.527 -0.001 0.000 0.287 139 F C 0.750 176.559 175.800 0.015 0.000 0.956 139 F CA 0.904 58.889 58.000 -0.026 0.000 0.971 139 F CB -3.026 35.956 39.000 -0.029 0.000 0.943 139 F HN 0.119 nan 8.300 nan 0.000 0.766 140 T N -2.957 111.697 114.554 0.166 0.000 3.043 140 T HA 0.098 4.447 4.350 -0.001 0.000 0.272 140 T C 1.269 176.038 174.700 0.115 0.000 0.990 140 T CA 0.449 62.610 62.100 0.102 0.000 0.897 140 T CB 0.148 69.026 68.868 0.017 0.000 1.111 140 T HN 0.505 nan 8.240 nan 0.000 0.529 141 N N 0.733 119.522 118.700 0.150 0.000 2.322 141 N HA 0.105 4.844 4.740 -0.001 0.000 0.181 141 N C 0.210 175.839 175.510 0.198 0.000 1.088 141 N CA 0.017 53.155 53.050 0.147 0.000 0.885 141 N CB 0.350 38.912 38.487 0.125 0.000 1.013 141 N HN 0.085 nan 8.380 nan 0.000 0.472 142 K N -0.071 120.465 120.400 0.227 0.000 2.375 142 K HA 0.420 4.739 4.320 -0.001 0.000 0.249 142 K C -1.587 175.255 176.600 0.403 0.000 0.942 142 K CA -0.948 55.489 56.287 0.250 0.000 0.806 142 K CB 1.930 34.500 32.500 0.117 0.000 1.227 142 K HN 0.202 nan 8.250 nan 0.000 0.430 143 F N -1.081 118.963 119.950 0.156 0.000 2.654 143 F HA 0.540 5.066 4.527 -0.001 0.000 0.308 143 F C -1.346 174.572 175.800 0.197 0.000 1.108 143 F CA -1.236 56.845 58.000 0.135 0.000 0.957 143 F CB 1.304 40.392 39.000 0.147 0.000 1.309 143 F HN 0.136 nan 8.300 nan 0.000 0.446 144 K N 2.209 122.705 120.400 0.160 0.000 2.123 144 K HA 0.903 5.223 4.320 -0.001 0.000 0.259 144 K C -0.982 175.772 176.600 0.257 0.000 0.960 144 K CA -1.066 55.292 56.287 0.119 0.000 0.872 144 K CB 2.025 34.519 32.500 -0.010 0.000 1.079 144 K HN 0.954 nan 8.250 nan 0.000 0.440 145 A N 1.727 124.837 122.820 0.484 0.000 2.612 145 A HA 0.447 4.766 4.320 -0.001 0.000 0.293 145 A C -1.484 176.332 177.584 0.387 0.000 1.075 145 A CA -0.814 51.498 52.037 0.459 0.000 0.680 145 A CB 1.511 20.593 19.000 0.137 0.000 1.279 145 A HN 0.734 nan 8.150 nan 0.000 0.411 146 R N 1.003 121.397 120.500 -0.176 0.000 2.254 146 R HA 0.630 4.969 4.340 -0.001 0.000 0.318 146 R C -1.199 175.001 176.300 -0.166 0.000 1.031 146 R CA -0.121 55.672 56.100 -0.512 0.000 0.905 146 R CB 0.718 30.207 30.300 -1.350 0.000 1.050 146 R HN 0.587 nan 8.270 nan 0.000 0.456 147 V N 4.627 124.562 119.914 0.034 0.000 3.074 147 V HA 0.428 4.547 4.120 -0.001 0.000 0.314 147 V C 0.127 176.381 176.094 0.265 0.000 1.117 147 V CA -1.301 61.110 62.300 0.185 0.000 1.014 147 V CB 1.946 33.974 31.823 0.341 0.000 1.057 147 V HN 0.859 nan 8.190 nan 0.000 0.438 148 M N 1.045 120.795 119.600 0.250 0.000 2.249 148 M HA 0.609 5.088 4.480 -0.001 0.000 0.351 148 M C -0.405 175.933 176.300 0.063 0.000 1.180 148 M CA 0.152 55.481 55.300 0.049 0.000 1.127 148 M CB 1.523 33.973 32.600 -0.249 0.000 1.546 148 M HN 0.287 nan 8.290 nan 0.000 0.461 149 V N 1.155 121.071 119.914 0.002 0.000 2.806 149 V HA 0.138 4.257 4.120 -0.001 0.000 0.239 149 V C 0.780 176.842 176.094 -0.053 0.000 1.113 149 V CA 0.656 62.958 62.300 0.004 0.000 1.137 149 V CB 1.050 32.894 31.823 0.034 0.000 0.865 149 V HN 0.953 nan 8.190 nan 0.000 0.482 150 S N 0.408 116.055 115.700 -0.088 0.000 2.442 150 S HA 0.566 5.035 4.470 -0.001 0.000 0.297 150 S C -0.222 174.304 174.600 -0.123 0.000 1.131 150 S CA -0.389 57.754 58.200 -0.094 0.000 1.092 150 S CB 1.076 64.226 63.200 -0.083 0.000 0.998 150 S HN 0.388 nan 8.310 nan 0.000 0.478 151 R N 3.333 123.778 120.500 -0.092 0.000 2.278 151 R HA 0.313 4.652 4.340 -0.001 0.000 0.322 151 R C -0.276 175.981 176.300 -0.071 0.000 1.058 151 R CA -0.132 55.915 56.100 -0.088 0.000 0.991 151 R CB -0.421 29.844 30.300 -0.059 0.000 1.140 151 R HN 0.684 nan 8.270 nan 0.000 0.518 152 S N 3.347 118.999 115.700 -0.079 0.000 3.371 152 S HA -0.194 4.276 4.470 -0.001 0.000 0.353 152 S C 0.739 175.313 174.600 -0.044 0.000 0.849 152 S CA 0.633 58.798 58.200 -0.058 0.000 1.356 152 S CB -1.442 61.727 63.200 -0.051 0.000 1.217 152 S HN 0.703 nan 8.310 nan 0.000 0.559 153 L N 1.455 122.653 121.223 -0.041 0.000 2.450 153 L HA -0.034 4.305 4.340 -0.001 0.000 0.224 153 L C 1.544 178.399 176.870 -0.026 0.000 1.149 153 L CA 1.061 55.882 54.840 -0.032 0.000 0.816 153 L CB -0.950 41.091 42.059 -0.029 0.000 0.932 153 L HN 0.993 nan 8.230 nan 0.000 0.449 154 T N -1.198 113.341 114.554 -0.026 0.000 4.141 154 T HA -0.159 4.191 4.350 -0.001 0.000 0.352 154 T C 0.148 174.838 174.700 -0.016 0.000 0.756 154 T CA 0.126 62.214 62.100 -0.020 0.000 1.958 154 T CB -1.551 67.306 68.868 -0.018 0.000 1.848 154 T HN 0.174 nan 8.240 nan 0.000 0.872 155 K N 2.491 122.882 120.400 -0.016 0.000 2.361 155 K HA 0.145 4.465 4.320 -0.001 0.000 0.283 155 K C 0.486 177.080 176.600 -0.010 0.000 1.078 155 K CA 0.383 56.663 56.287 -0.012 0.000 1.041 155 K CB 0.110 32.603 32.500 -0.012 0.000 0.932 155 K HN 0.548 nan 8.250 nan 0.000 0.462 156 D N 2.737 123.132 120.400 -0.008 0.000 2.718 156 D HA -0.185 4.454 4.640 -0.001 0.000 0.242 156 D C -0.821 175.475 176.300 -0.007 0.000 1.123 156 D CA 0.626 54.622 54.000 -0.007 0.000 0.690 156 D CB -1.519 39.278 40.800 -0.005 0.000 1.059 156 D HN 0.673 nan 8.370 nan 0.000 0.429 157 K N -0.896 119.499 120.400 -0.008 0.000 5.230 157 K HA -0.240 4.080 4.320 -0.001 0.000 0.331 157 K C 0.195 176.791 176.600 -0.008 0.000 0.863 157 K CA 1.073 57.355 56.287 -0.008 0.000 1.030 157 K CB -0.936 31.560 32.500 -0.006 0.000 1.845 157 K HN 0.719 nan 8.250 nan 0.000 0.404 158 Q N 0.527 120.321 119.800 -0.010 0.000 2.599 158 Q HA 0.239 4.578 4.340 -0.001 0.000 0.248 158 Q C -0.984 175.007 176.000 -0.016 0.000 0.964 158 Q CA -0.800 54.997 55.803 -0.011 0.000 1.011 158 Q CB 1.730 30.463 28.738 -0.008 0.000 1.592 158 Q HN 0.371 nan 8.270 nan 0.000 0.443 159 V N 1.421 121.324 119.914 -0.018 0.000 2.377 159 V HA 0.306 4.425 4.120 -0.001 0.000 0.254 159 V C -0.108 175.966 176.094 -0.034 0.000 1.060 159 V CA 0.063 62.347 62.300 -0.027 0.000 1.068 159 V CB 0.470 32.277 31.823 -0.027 0.000 1.113 159 V HN 0.775 nan 8.190 nan 0.000 0.484 160 E N 5.753 125.929 120.200 -0.040 0.000 2.103 160 E HA 0.467 4.817 4.350 -0.001 0.000 0.254 160 E C -0.332 176.220 176.600 -0.081 0.000 0.940 160 E CA -0.619 55.752 56.400 -0.048 0.000 0.771 160 E CB 0.951 30.631 29.700 -0.033 0.000 1.153 160 E HN 0.931 nan 8.360 nan 0.000 0.428 161 L N 1.516 122.666 121.223 -0.121 0.000 2.275 161 L HA 0.596 4.935 4.340 -0.001 0.000 0.288 161 L C -0.291 176.395 176.870 -0.307 0.000 1.046 161 L CA -0.864 53.847 54.840 -0.215 0.000 0.805 161 L CB 1.103 43.006 42.059 -0.260 0.000 1.193 161 L HN 0.140 nan 8.230 nan 0.000 0.426 162 K N 2.990 123.220 120.400 -0.284 0.000 2.090 162 K HA 0.546 4.866 4.320 -0.001 0.000 0.249 162 K C -1.389 174.991 176.600 -0.366 0.000 0.995 162 K CA -0.571 55.579 56.287 -0.230 0.000 0.914 162 K CB 1.568 34.014 32.500 -0.090 0.000 1.057 162 K HN 0.547 nan 8.250 nan 0.000 0.462 163 Y N -0.154 120.119 120.300 -0.045 0.000 2.605 163 Y HA 0.359 4.908 4.550 -0.001 0.000 0.343 163 Y C -0.262 175.599 175.900 -0.065 0.000 1.036 163 Y CA -0.781 57.272 58.100 -0.077 0.000 1.065 163 Y CB 2.539 40.912 38.460 -0.144 0.000 1.288 163 Y HN 0.525 nan 8.280 nan 0.000 0.481 164 E N 0.622 120.889 120.200 0.112 0.000 2.375 164 E HA 0.217 4.566 4.350 -0.001 0.000 0.280 164 E C -2.098 174.521 176.600 0.031 0.000 0.972 164 E CA -0.750 55.692 56.400 0.071 0.000 0.782 164 E CB 1.505 31.267 29.700 0.104 0.000 1.229 164 E HN 0.597 nan 8.360 nan 0.000 0.439 165 W N 3.239 124.552 121.300 0.022 0.000 2.287 165 W HA 0.405 5.064 4.660 -0.001 0.000 0.313 165 W C -0.189 176.280 176.519 -0.083 0.000 1.267 165 W CA -0.303 57.033 57.345 -0.014 0.000 1.201 165 W CB 1.134 30.580 29.460 -0.023 0.000 1.196 165 W HN 0.217 nan 8.180 nan 0.000 0.536 166 V N 0.083 120.074 119.914 0.128 0.000 3.078 166 V HA 0.455 4.575 4.120 -0.001 0.000 0.311 166 V C -0.882 174.969 176.094 -0.405 0.000 1.138 166 V CA -1.548 60.610 62.300 -0.236 0.000 1.007 166 V CB 1.890 33.354 31.823 -0.597 0.000 1.045 166 V HN 0.542 nan 8.190 nan 0.000 0.432 167 E N 1.675 121.596 120.200 -0.466 0.000 2.035 167 E HA 0.482 4.831 4.350 -0.001 0.000 0.271 167 E C -1.369 174.894 176.600 -0.563 0.000 0.953 167 E CA -0.568 55.604 56.400 -0.380 0.000 0.777 167 E CB 0.569 30.154 29.700 -0.192 0.000 1.104 167 E HN 0.577 nan 8.360 nan 0.000 0.408 168 F N 1.732 121.455 119.950 -0.378 0.000 2.410 168 F HA 0.271 4.797 4.527 -0.001 0.000 0.334 168 F C 0.890 176.596 175.800 -0.155 0.000 1.134 168 F CA -0.162 57.637 58.000 -0.335 0.000 1.227 168 F CB 1.289 39.882 39.000 -0.678 0.000 1.194 168 F HN 0.152 nan 8.300 nan 0.000 0.571 169 T N 3.262 117.864 114.554 0.080 0.000 2.876 169 T HA 0.681 5.030 4.350 -0.001 0.000 0.289 169 T C -0.533 174.259 174.700 0.153 0.000 1.014 169 T CA -0.709 61.453 62.100 0.104 0.000 0.986 169 T CB 1.407 70.299 68.868 0.041 0.000 1.021 169 T HN 0.313 nan 8.240 nan 0.000 0.458 170 L N 2.958 124.271 121.223 0.150 0.000 2.303 170 L HA 0.575 4.914 4.340 -0.001 0.000 0.266 170 L C -1.963 174.961 176.870 0.090 0.000 1.011 170 L CA -2.457 52.462 54.840 0.131 0.000 0.818 170 L CB 2.032 44.172 42.059 0.136 0.000 1.326 170 L HN 0.427 nan 8.230 nan 0.000 0.435 171 P HA 0.224 nan 4.420 nan 0.000 0.205 171 P C 0.176 177.495 177.300 0.031 0.000 1.858 171 P CA -0.264 62.867 63.100 0.052 0.000 0.998 171 P CB 0.829 32.559 31.700 0.050 0.000 1.875 172 E N 0.956 121.182 120.200 0.042 0.000 4.114 172 E HA -0.360 3.989 4.350 -0.001 0.000 0.212 172 E C 1.803 178.393 176.600 -0.016 0.000 1.297 172 E CA 2.426 58.847 56.400 0.034 0.000 2.157 172 E CB -1.761 27.974 29.700 0.059 0.000 1.888 172 E HN 0.451 nan 8.360 nan 0.000 0.266 173 G N 2.809 111.576 108.800 -0.056 0.000 2.606 173 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.221 173 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.221 173 G C 0.645 175.309 174.900 -0.393 0.000 1.152 173 G CA 1.373 46.364 45.100 -0.181 0.000 0.765 173 G HN 0.565 nan 8.290 nan 0.000 0.595 174 N N -0.026 118.529 118.700 -0.243 0.000 2.374 174 N HA 0.139 4.878 4.740 -0.001 0.000 0.241 174 N C -0.881 174.661 175.510 0.054 0.000 1.262 174 N CA 0.586 53.526 53.050 -0.184 0.000 0.880 174 N CB 0.314 38.762 38.487 -0.065 0.000 1.105 174 N HN 0.524 nan 8.380 nan 0.000 0.438 175 Y N -2.733 117.544 120.300 -0.037 0.000 2.681 175 Y HA 0.427 4.976 4.550 -0.001 0.000 0.280 175 Y C -0.747 175.127 175.900 -0.044 0.000 1.079 175 Y CA -1.017 57.057 58.100 -0.043 0.000 1.292 175 Y CB -0.376 38.065 38.460 -0.031 0.000 1.126 175 Y HN 0.515 nan 8.280 nan 0.000 0.553 176 S N 0.747 116.497 115.700 0.083 0.000 2.568 176 S HA 0.363 4.832 4.470 -0.001 0.000 0.293 176 S C 0.931 175.511 174.600 -0.033 0.000 1.089 176 S CA -0.300 57.907 58.200 0.012 0.000 0.945 176 S CB 1.336 64.533 63.200 -0.005 0.000 1.077 176 S HN 0.731 nan 8.310 nan 0.000 0.485 177 E N 1.214 121.390 120.200 -0.041 0.000 2.208 177 E HA -0.061 4.288 4.350 -0.001 0.000 0.193 177 E C 1.019 177.577 176.600 -0.070 0.000 0.988 177 E CA 1.410 57.776 56.400 -0.057 0.000 0.828 177 E CB -0.327 29.346 29.700 -0.045 0.000 0.763 177 E HN 0.532 nan 8.360 nan 0.000 0.478 178 T N 1.751 116.265 114.554 -0.068 0.000 2.755 178 T HA -0.068 4.282 4.350 -0.001 0.000 0.251 178 T C 1.840 176.464 174.700 -0.126 0.000 1.044 178 T CA 1.216 63.264 62.100 -0.086 0.000 1.154 178 T CB -0.233 68.589 68.868 -0.078 0.000 0.866 178 T HN 0.253 nan 8.240 nan 0.000 0.416 179 M N 1.554 121.067 119.600 -0.144 0.000 2.460 179 M HA -0.070 4.410 4.480 -0.001 0.000 0.263 179 M C 1.568 177.735 176.300 -0.222 0.000 1.071 179 M CA 1.312 56.472 55.300 -0.233 0.000 1.096 179 M CB -0.671 31.792 32.600 -0.228 0.000 1.408 179 M HN 0.121 nan 8.290 nan 0.000 0.463 180 T N 1.653 116.116 114.554 -0.152 0.000 2.915 180 T HA -0.037 4.312 4.350 -0.001 0.000 0.269 180 T C 1.823 176.395 174.700 -0.213 0.000 1.071 180 T CA 0.990 63.001 62.100 -0.149 0.000 1.132 180 T CB -0.125 68.673 68.868 -0.117 0.000 0.878 180 T HN 0.308 nan 8.240 nan 0.000 0.479 181 I N 2.337 122.780 120.570 -0.212 0.000 2.133 181 I HA -0.096 4.073 4.170 -0.001 0.000 0.238 181 I C 2.040 178.029 176.117 -0.214 0.000 1.074 181 I CA 1.378 62.531 61.300 -0.246 0.000 1.342 181 I CB -1.396 36.519 38.000 -0.142 0.000 1.053 181 I HN 0.182 nan 8.210 nan 0.000 0.404 182 D N 0.761 121.053 120.400 -0.180 0.000 2.190 182 D HA -0.193 4.446 4.640 -0.001 0.000 0.200 182 D C 2.139 178.380 176.300 -0.099 0.000 0.992 182 D CA 0.865 54.772 54.000 -0.156 0.000 0.854 182 D CB -0.194 40.389 40.800 -0.362 0.000 0.936 182 D HN 0.100 nan 8.370 nan 0.000 0.462 183 L N -0.120 121.009 121.223 -0.158 0.000 2.072 183 L HA 0.000 4.339 4.340 -0.001 0.000 0.205 183 L C 2.202 179.096 176.870 0.041 0.000 1.079 183 L CA 1.365 56.186 54.840 -0.033 0.000 0.752 183 L CB -0.793 41.229 42.059 -0.061 0.000 0.906 183 L HN 0.148 nan 8.230 nan 0.000 0.436 184 M N -1.046 118.511 119.600 -0.071 0.000 2.067 184 M HA -0.214 4.265 4.480 -0.001 0.000 0.260 184 M C 1.982 178.314 176.300 0.053 0.000 1.069 184 M CA 1.471 56.749 55.300 -0.037 0.000 1.117 184 M CB -0.586 31.629 32.600 -0.641 0.000 1.334 184 M HN 0.232 nan 8.290 nan 0.000 0.407 185 N N 0.914 119.609 118.700 -0.008 0.000 2.137 185 N HA -0.193 4.547 4.740 -0.001 0.000 0.190 185 N C 1.383 176.995 175.510 0.171 0.000 1.017 185 N CA 1.775 54.899 53.050 0.124 0.000 0.859 185 N CB -0.758 37.802 38.487 0.121 0.000 1.002 185 N HN 0.447 nan 8.380 nan 0.000 0.428 186 N N 0.702 119.515 118.700 0.188 0.000 2.069 186 N HA -0.125 4.615 4.740 -0.001 0.000 0.191 186 N C 1.298 176.944 175.510 0.226 0.000 1.031 186 N CA 1.871 55.053 53.050 0.220 0.000 0.852 186 N CB -0.236 38.433 38.487 0.305 0.000 1.018 186 N HN 0.166 nan 8.380 nan 0.000 0.423 187 A N -0.803 122.168 122.820 0.251 0.000 2.238 187 A HA 0.213 4.532 4.320 -0.001 0.000 0.208 187 A C 1.926 179.802 177.584 0.487 0.000 1.177 187 A CA 0.077 52.310 52.037 0.328 0.000 0.804 187 A CB -0.452 18.743 19.000 0.326 0.000 0.823 187 A HN 0.407 nan 8.150 nan 0.000 0.482 188 I N -1.236 119.529 120.570 0.325 0.000 2.500 188 I HA -0.129 4.041 4.170 -0.001 0.000 0.252 188 I C 2.178 178.537 176.117 0.402 0.000 1.142 188 I CA 0.846 62.336 61.300 0.317 0.000 1.451 188 I CB 0.184 38.275 38.000 0.151 0.000 1.093 188 I HN 0.168 nan 8.210 nan 0.000 0.430 189 V N -0.296 119.805 119.914 0.312 0.000 2.500 189 V HA -0.162 3.957 4.120 -0.001 0.000 0.243 189 V C 2.274 178.548 176.094 0.301 0.000 1.039 189 V CA 1.309 63.777 62.300 0.281 0.000 1.053 189 V CB -0.322 31.612 31.823 0.186 0.000 0.695 189 V HN 0.358 nan 8.190 nan 0.000 0.463 190 E N -0.570 119.785 120.200 0.259 0.000 2.267 190 E HA -0.304 4.045 4.350 -0.001 0.000 0.197 190 E C 2.018 178.751 176.600 0.222 0.000 0.998 190 E CA 1.409 57.934 56.400 0.209 0.000 0.830 190 E CB -0.028 29.784 29.700 0.187 0.000 0.751 190 E HN 0.777 nan 8.360 nan 0.000 0.491 191 H N -1.015 118.181 119.070 0.209 0.000 2.317 191 H HA -0.145 4.411 4.556 -0.001 0.000 0.304 191 H C 1.772 177.224 175.328 0.208 0.000 1.067 191 H CA 1.926 58.077 56.048 0.173 0.000 1.352 191 H CB -0.543 29.346 29.762 0.211 0.000 1.398 191 H HN 0.252 nan 8.280 nan 0.000 0.510 192 Y N 0.934 121.221 120.300 -0.021 0.000 2.139 192 Y HA -0.247 4.303 4.550 -0.001 0.000 0.282 192 Y C 2.067 177.936 175.900 -0.051 0.000 1.179 192 Y CA 1.987 60.056 58.100 -0.051 0.000 1.161 192 Y CB -0.474 38.044 38.460 0.097 0.000 0.970 192 Y HN 0.255 nan 8.280 nan 0.000 0.511 193 L N 0.164 121.480 121.223 0.156 0.000 2.362 193 L HA -0.177 4.163 4.340 -0.001 0.000 0.219 193 L C 2.442 179.274 176.870 -0.063 0.000 1.134 193 L CA 1.164 56.020 54.840 0.027 0.000 0.807 193 L CB -0.426 41.700 42.059 0.112 0.000 0.927 193 L HN 0.212 nan 8.230 nan 0.000 0.447 194 K N -0.961 119.387 120.400 -0.086 0.000 2.276 194 K HA 0.080 4.399 4.320 -0.001 0.000 0.198 194 K C 1.498 178.008 176.600 -0.150 0.000 1.052 194 K CA 0.634 56.867 56.287 -0.091 0.000 0.984 194 K CB 0.960 33.436 32.500 -0.040 0.000 0.836 194 K HN 0.102 nan 8.250 nan 0.000 0.490 195 V N -1.511 118.250 119.914 -0.254 0.000 3.193 195 V HA 0.059 4.178 4.120 -0.001 0.000 0.237 195 V C 1.826 177.767 176.094 -0.255 0.000 1.447 195 V CA 0.956 63.115 62.300 -0.235 0.000 1.227 195 V CB 0.774 32.477 31.823 -0.201 0.000 1.040 195 V HN 0.305 nan 8.190 nan 0.000 0.458 196 G N 2.027 110.630 108.800 -0.328 0.000 2.511 196 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.216 196 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.216 196 G C 1.439 176.085 174.900 -0.423 0.000 1.218 196 G CA 1.410 46.342 45.100 -0.279 0.000 0.788 196 G HN 0.607 nan 8.290 nan 0.000 0.560 197 R N -0.269 119.726 120.500 -0.842 0.000 2.115 197 R HA 0.012 4.351 4.340 -0.001 0.000 0.230 197 R C 2.275 178.399 176.300 -0.293 0.000 1.111 197 R CA 1.417 57.146 56.100 -0.619 0.000 0.976 197 R CB -0.444 29.419 30.300 -0.728 0.000 0.870 197 R HN 0.258 nan 8.270 nan 0.000 0.445 198 Q N 0.882 120.526 119.800 -0.261 0.000 2.224 198 Q HA -0.035 4.305 4.340 -0.001 0.000 0.203 198 Q C 0.405 176.333 176.000 -0.120 0.000 0.970 198 Q CA 1.002 56.711 55.803 -0.158 0.000 0.865 198 Q CB -0.119 28.534 28.738 -0.141 0.000 0.922 198 Q HN 0.476 nan 8.270 nan 0.000 0.445 199 N N -0.775 117.848 118.700 -0.129 0.000 2.389 199 N HA 0.213 4.952 4.740 -0.001 0.000 0.260 199 N C 0.545 176.003 175.510 -0.086 0.000 1.191 199 N CA 0.679 53.673 53.050 -0.092 0.000 0.885 199 N CB 1.293 39.733 38.487 -0.079 0.000 1.162 199 N HN 0.350 nan 8.380 nan 0.000 0.512 200 G N -0.912 107.832 108.800 -0.093 0.000 2.213 200 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.226 200 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.226 200 G C -0.023 174.849 174.900 -0.046 0.000 0.992 200 G CA -0.188 44.873 45.100 -0.065 0.000 0.632 200 G HN 0.199 nan 8.290 nan 0.000 0.511 201 V N 2.688 122.570 119.914 -0.053 0.000 2.521 201 V HA 0.398 4.517 4.120 -0.001 0.000 0.286 201 V C 1.379 177.584 176.094 0.184 0.000 1.034 201 V CA -0.111 62.218 62.300 0.049 0.000 1.045 201 V CB 1.310 33.194 31.823 0.102 0.000 0.974 201 V HN 0.384 nan 8.190 nan 0.000 0.480 202 L N 4.228 125.546 121.223 0.159 0.000 2.453 202 L HA 0.231 4.570 4.340 -0.001 0.000 0.261 202 L C 1.681 178.659 176.870 0.180 0.000 1.179 202 L CA -0.193 54.745 54.840 0.164 0.000 0.813 202 L CB 0.725 42.820 42.059 0.060 0.000 1.110 202 L HN 0.720 nan 8.230 nan 0.000 0.466 203 E N 0.172 120.425 120.200 0.088 0.000 2.204 203 E HA -0.126 4.224 4.350 -0.001 0.000 0.194 203 E C 1.605 178.012 176.600 -0.322 0.000 0.989 203 E CA 1.320 57.580 56.400 -0.233 0.000 0.824 203 E CB 0.042 29.635 29.700 -0.179 0.000 0.756 203 E HN 0.709 nan 8.360 nan 0.000 0.477 204 S N 0.990 116.617 115.700 -0.123 0.000 2.607 204 S HA -0.009 4.461 4.470 -0.001 0.000 0.224 204 S C 0.595 175.179 174.600 -0.027 0.000 0.969 204 S CA 0.299 58.471 58.200 -0.046 0.000 0.927 204 S CB 0.141 63.354 63.200 0.021 0.000 0.772 204 S HN 0.077 nan 8.310 nan 0.000 0.533 205 D N 0.970 121.340 120.400 -0.050 0.000 2.892 205 D HA 0.320 4.959 4.640 -0.001 0.000 0.291 205 D C 0.736 177.023 176.300 -0.022 0.000 1.341 205 D CA -0.292 53.686 54.000 -0.036 0.000 0.844 205 D CB 0.281 41.078 40.800 -0.005 0.000 1.093 205 D HN 0.193 nan 8.370 nan 0.000 0.480 206 I N 0.602 121.149 120.570 -0.038 0.000 2.133 206 I HA -0.070 4.100 4.170 -0.001 0.000 0.238 206 I C 1.990 178.129 176.117 0.037 0.000 1.074 206 I CA 1.784 63.045 61.300 -0.064 0.000 1.342 206 I CB -0.718 37.203 38.000 -0.132 0.000 1.053 206 I HN 0.356 nan 8.210 nan 0.000 0.404 207 G N 0.237 109.083 108.800 0.077 0.000 3.110 207 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.238 207 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.238 207 G C 0.098 174.990 174.900 -0.014 0.000 1.647 207 G CA 0.038 45.155 45.100 0.029 0.000 1.146 207 G HN 0.441 nan 8.290 nan 0.000 0.545 208 V N -0.107 119.788 119.914 -0.032 0.000 2.470 208 V HA 0.716 4.835 4.120 -0.001 0.000 0.276 208 V C 0.184 176.263 176.094 -0.024 0.000 1.040 208 V CA 0.150 62.395 62.300 -0.092 0.000 1.008 208 V CB 1.289 33.057 31.823 -0.092 0.000 0.990 208 V HN 0.808 nan 8.190 nan 0.000 0.477 209 K N 4.655 124.989 120.400 -0.109 0.000 2.513 209 K HA 0.486 4.806 4.320 -0.001 0.000 0.251 209 K C -1.974 174.613 176.600 -0.021 0.000 0.939 209 K CA -0.604 55.698 56.287 0.025 0.000 0.793 209 K CB 2.034 34.514 32.500 -0.034 0.000 1.241 209 K HN 0.607 nan 8.250 nan 0.000 0.431 210 F N 2.806 122.738 119.950 -0.030 0.000 2.313 210 F HA 0.267 4.794 4.527 -0.001 0.000 0.369 210 F C 0.831 176.619 175.800 -0.020 0.000 1.109 210 F CA -0.598 57.382 58.000 -0.034 0.000 1.132 210 F CB 0.839 39.802 39.000 -0.062 0.000 1.291 210 F HN 0.358 nan 8.300 nan 0.000 0.496 211 D N 0.252 120.738 120.400 0.143 0.000 2.549 211 D HA 0.295 4.935 4.640 -0.001 0.000 0.270 211 D C 0.773 177.138 176.300 0.108 0.000 1.181 211 D CA -0.118 53.956 54.000 0.123 0.000 1.070 211 D CB 2.029 42.925 40.800 0.160 0.000 1.154 211 D HN 0.434 nan 8.370 nan 0.000 0.602 212 T N -1.698 112.899 114.554 0.072 0.000 3.041 212 T HA 0.163 4.512 4.350 -0.001 0.000 0.276 212 T C 0.125 174.786 174.700 -0.063 0.000 0.948 212 T CA -0.239 61.859 62.100 -0.003 0.000 0.885 212 T CB 0.188 69.026 68.868 -0.049 0.000 1.175 212 T HN 0.407 nan 8.240 nan 0.000 0.529 213 R N 1.142 121.626 120.500 -0.026 0.000 2.643 213 R HA 0.594 4.933 4.340 -0.001 0.000 0.272 213 R C -0.352 175.795 176.300 -0.254 0.000 0.995 213 R CA -0.942 55.082 56.100 -0.126 0.000 1.032 213 R CB 0.342 30.522 30.300 -0.200 0.000 1.126 213 R HN -0.065 nan 8.270 nan 0.000 0.505 214 N N 1.439 119.939 118.700 -0.333 0.000 2.420 214 N HA 0.010 4.750 4.740 -0.001 0.000 0.262 214 N C -0.342 174.932 175.510 -0.392 0.000 1.144 214 N CA -0.084 52.757 53.050 -0.348 0.000 0.952 214 N CB 0.305 38.429 38.487 -0.605 0.000 1.081 214 N HN 0.568 nan 8.380 nan 0.000 0.480 215 F N 2.337 122.202 119.950 -0.141 0.000 2.179 215 F HA 0.175 4.702 4.527 -0.001 0.000 0.292 215 F C 2.129 177.848 175.800 -0.135 0.000 1.089 215 F CA 0.623 58.468 58.000 -0.258 0.000 1.295 215 F CB 0.060 38.829 39.000 -0.384 0.000 1.041 215 F HN 0.422 nan 8.300 nan 0.000 0.487 216 R N 0.454 120.963 120.500 0.015 0.000 2.366 216 R HA -0.039 4.300 4.340 -0.001 0.000 0.201 216 R C -0.401 175.846 176.300 -0.089 0.000 1.057 216 R CA 0.013 56.042 56.100 -0.119 0.000 1.086 216 R CB -0.624 29.464 30.300 -0.354 0.000 0.914 216 R HN 0.052 nan 8.270 nan 0.000 0.476 217 L N -0.166 121.022 121.223 -0.059 0.000 2.265 217 L HA 0.280 4.620 4.340 -0.001 0.000 0.288 217 L C 1.051 177.942 176.870 0.036 0.000 1.058 217 L CA 0.787 55.591 54.840 -0.059 0.000 0.809 217 L CB 1.301 43.252 42.059 -0.179 0.000 1.179 217 L HN 0.357 nan 8.230 nan 0.000 0.429 218 G N 4.039 112.878 108.800 0.066 0.000 2.259 218 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 218 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 218 G C 0.355 175.346 174.900 0.151 0.000 1.001 218 G CA 0.000 45.156 45.100 0.094 0.000 0.627 218 G HN 0.536 nan 8.290 nan 0.000 0.501 219 F N 3.069 123.023 119.950 0.008 0.000 2.629 219 F HA 0.446 4.972 4.527 -0.001 0.000 0.377 219 F C 0.324 176.110 175.800 -0.022 0.000 1.101 219 F CA 0.379 58.385 58.000 0.010 0.000 1.301 219 F CB 0.640 39.643 39.000 0.006 0.000 1.062 219 F HN 0.100 nan 8.300 nan 0.000 0.583 220 D N 8.198 128.371 120.400 -0.378 0.000 2.278 220 D HA 0.243 4.882 4.640 -0.001 0.000 0.245 220 D C -1.827 173.998 176.300 -0.792 0.000 1.052 220 D CA -1.962 51.795 54.000 -0.405 0.000 0.834 220 D CB 2.292 42.925 40.800 -0.279 0.000 1.194 220 D HN 0.259 nan 8.370 nan 0.000 0.481 221 P HA -0.092 nan 4.420 nan 0.000 0.223 221 P C 1.348 178.488 177.300 -0.267 0.000 1.151 221 P CA 0.722 63.648 63.100 -0.292 0.000 0.787 221 P CB 0.318 31.991 31.700 -0.044 0.000 0.788 222 V N -4.037 115.730 119.914 -0.245 0.000 3.125 222 V HA 0.051 4.170 4.120 -0.001 0.000 0.249 222 V C 2.004 177.970 176.094 -0.213 0.000 1.113 222 V CA 1.316 63.507 62.300 -0.182 0.000 1.106 222 V CB -1.734 30.018 31.823 -0.119 0.000 0.768 222 V HN -0.044 nan 8.190 nan 0.000 0.468 223 T N 0.915 115.299 114.554 -0.284 0.000 2.942 223 T HA 0.216 4.566 4.350 -0.001 0.000 0.265 223 T C 1.712 176.239 174.700 -0.289 0.000 1.062 223 T CA 1.474 63.413 62.100 -0.268 0.000 1.139 223 T CB -0.495 68.205 68.868 -0.280 0.000 0.883 223 T HN 1.262 nan 8.240 nan 0.000 0.468 224 G N 1.131 109.658 108.800 -0.456 0.000 2.155 224 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.257 224 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.257 224 G C -0.048 174.730 174.900 -0.204 0.000 0.983 224 G CA 0.212 45.079 45.100 -0.389 0.000 0.676 224 G HN 0.518 nan 8.290 nan 0.000 0.528 225 L N -0.872 120.181 121.223 -0.283 0.000 2.415 225 L HA 0.570 4.910 4.340 -0.001 0.000 0.256 225 L C 0.336 177.220 176.870 0.023 0.000 1.010 225 L CA -1.482 53.356 54.840 -0.003 0.000 0.826 225 L CB 2.215 44.247 42.059 -0.044 0.000 1.405 225 L HN -0.115 nan 8.230 nan 0.000 0.410 226 V N 2.290 122.306 119.914 0.170 0.000 2.439 226 V HA 0.037 4.156 4.120 -0.001 0.000 0.271 226 V C 1.181 177.282 176.094 0.011 0.000 1.040 226 V CA -0.250 62.139 62.300 0.149 0.000 1.002 226 V CB 1.067 33.026 31.823 0.227 0.000 1.000 226 V HN 0.718 nan 8.190 nan 0.000 0.477 227 M N 6.160 125.750 119.600 -0.016 0.000 2.132 227 M HA 0.016 4.495 4.480 -0.001 0.000 0.263 227 M C -0.253 176.019 176.300 -0.047 0.000 1.065 227 M CA 1.432 56.692 55.300 -0.067 0.000 1.122 227 M CB -1.579 30.981 32.600 -0.066 0.000 1.365 227 M HN 0.501 nan 8.290 nan 0.000 0.411 228 P HA 0.307 nan 4.420 nan 0.000 0.249 228 P C 0.672 177.956 177.300 -0.027 0.000 1.583 228 P CA 0.517 63.611 63.100 -0.011 0.000 0.988 228 P CB -0.200 31.504 31.700 0.006 0.000 1.530 229 G N -0.400 108.366 108.800 -0.055 0.000 2.205 229 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.269 229 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.269 229 G C 0.036 174.860 174.900 -0.127 0.000 0.977 229 G CA 0.324 45.374 45.100 -0.083 0.000 0.652 229 G HN 0.419 nan 8.290 nan 0.000 0.539 230 V N 0.142 119.978 119.914 -0.129 0.000 2.623 230 V HA 0.457 4.577 4.120 -0.001 0.000 0.304 230 V C -0.090 175.945 176.094 -0.099 0.000 1.054 230 V CA -1.474 60.754 62.300 -0.121 0.000 0.882 230 V CB 1.525 33.333 31.823 -0.025 0.000 1.002 230 V HN 0.258 nan 8.190 nan 0.000 0.424 231 Y N 1.760 122.050 120.300 -0.016 0.000 2.544 231 Y HA 0.094 4.643 4.550 -0.001 0.000 0.330 231 Y C 1.537 177.338 175.900 -0.166 0.000 1.136 231 Y CA -0.237 57.777 58.100 -0.144 0.000 1.417 231 Y CB 0.400 38.668 38.460 -0.321 0.000 1.229 231 Y HN 0.632 nan 8.280 nan 0.000 0.532 232 T N 2.866 117.428 114.554 0.014 0.000 2.758 232 T HA -0.145 4.205 4.350 -0.001 0.000 0.249 232 T C 0.536 175.219 174.700 -0.029 0.000 1.011 232 T CA -0.016 62.077 62.100 -0.012 0.000 1.301 232 T CB -0.769 68.084 68.868 -0.024 0.000 0.992 232 T HN 0.529 nan 8.240 nan 0.000 0.549 233 N N 2.985 121.683 118.700 -0.003 0.000 3.117 233 N HA 0.059 4.798 4.740 -0.001 0.000 0.323 233 N C -0.190 175.323 175.510 0.005 0.000 1.245 233 N CA -0.067 52.979 53.050 -0.005 0.000 1.191 233 N CB 0.151 38.646 38.487 0.014 0.000 1.451 233 N HN 0.558 nan 8.380 nan 0.000 0.555 234 E N 0.374 120.595 120.200 0.035 0.000 2.218 234 E HA 0.516 4.866 4.350 -0.001 0.000 0.263 234 E C -0.987 175.643 176.600 0.050 0.000 0.879 234 E CA -0.854 55.573 56.400 0.046 0.000 0.762 234 E CB 1.301 31.086 29.700 0.142 0.000 1.166 234 E HN 0.348 nan 8.360 nan 0.000 0.415 235 A N 3.899 126.629 122.820 -0.149 0.000 2.511 235 A HA 0.264 4.583 4.320 -0.001 0.000 0.242 235 A C -0.472 176.730 177.584 -0.637 0.000 1.069 235 A CA 0.229 52.100 52.037 -0.277 0.000 0.763 235 A CB -0.061 18.749 19.000 -0.317 0.000 1.001 235 A HN 0.674 nan 8.150 nan 0.000 0.498 236 F N 2.556 122.233 119.950 -0.456 0.000 2.881 236 F HA 0.269 4.796 4.527 -0.001 0.000 0.343 236 F C 1.128 176.701 175.800 -0.378 0.000 1.233 236 F CA 0.244 57.974 58.000 -0.450 0.000 1.262 236 F CB -0.251 38.502 39.000 -0.413 0.000 0.980 236 F HN 0.904 nan 8.300 nan 0.000 0.506 237 H N -2.052 116.957 119.070 -0.102 0.000 1.562 237 H HA -0.198 4.358 4.556 -0.001 0.000 0.090 237 H C -1.986 173.363 175.328 0.035 0.000 0.613 237 H CA 1.078 57.107 56.048 -0.032 0.000 1.889 237 H CB -2.411 27.339 29.762 -0.021 0.000 2.240 237 H HN 0.033 nan 8.280 nan 0.000 0.959 238 P HA 0.163 nan 4.420 nan 0.000 0.279 238 P C -0.880 176.571 177.300 0.252 0.000 1.318 238 P CA 0.124 63.370 63.100 0.244 0.000 0.819 238 P CB -0.009 31.925 31.700 0.389 0.000 0.927 239 D N 3.603 124.075 120.400 0.120 0.000 2.586 239 D HA -0.035 4.605 4.640 -0.001 0.000 0.234 239 D C 0.602 177.013 176.300 0.185 0.000 1.132 239 D CA 0.410 54.472 54.000 0.103 0.000 0.860 239 D CB -0.120 40.717 40.800 0.062 0.000 1.159 239 D HN 0.247 nan 8.370 nan 0.000 0.490 240 I N 1.461 122.158 120.570 0.211 0.000 3.138 240 I HA 0.145 4.314 4.170 -0.001 0.000 0.288 240 I C 0.527 176.693 176.117 0.082 0.000 1.148 240 I CA -0.468 60.998 61.300 0.277 0.000 1.315 240 I CB 0.342 38.473 38.000 0.218 0.000 1.426 240 I HN 0.270 nan 8.210 nan 0.000 0.615 241 I N 4.119 124.711 120.570 0.037 0.000 2.362 241 I HA 0.397 4.566 4.170 -0.001 0.000 0.289 241 I C -0.860 175.174 176.117 -0.138 0.000 0.994 241 I CA -0.527 60.641 61.300 -0.219 0.000 1.158 241 I CB 0.878 38.667 38.000 -0.350 0.000 1.315 241 I HN 0.304 nan 8.210 nan 0.000 0.451 242 L N 7.521 128.617 121.223 -0.212 0.000 2.307 242 L HA 0.699 5.039 4.340 -0.001 0.000 0.284 242 L C -0.690 176.094 176.870 -0.142 0.000 1.023 242 L CA -0.630 54.099 54.840 -0.185 0.000 0.810 242 L CB 1.408 43.292 42.059 -0.292 0.000 1.231 242 L HN 0.476 nan 8.230 nan 0.000 0.423 243 L N 3.749 124.926 121.223 -0.077 0.000 2.513 243 L HA 0.661 5.000 4.340 -0.001 0.000 0.261 243 L C -2.898 173.739 176.870 -0.388 0.000 0.945 243 L CA -1.508 53.236 54.840 -0.161 0.000 0.848 243 L CB 2.586 44.538 42.059 -0.179 0.000 1.334 243 L HN 0.302 nan 8.230 nan 0.000 0.407 244 P HA 0.338 nan 4.420 nan 0.000 0.308 244 P C 0.531 177.269 177.300 -0.936 0.000 1.497 244 P CA -0.250 62.124 63.100 -1.210 0.000 1.101 244 P CB 2.121 33.406 31.700 -0.692 0.000 1.095 245 G N 2.415 110.494 108.800 -1.202 0.000 2.302 245 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.263 245 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.263 245 G C 0.430 174.849 174.900 -0.802 0.000 0.995 245 G CA 0.770 45.541 45.100 -0.547 0.000 0.622 245 G HN 0.755 nan 8.290 nan 0.000 0.538 246 C N -1.883 117.015 119.300 -0.670 0.000 3.462 246 C HA 1.114 5.573 4.460 -0.001 0.000 0.298 246 C C 1.042 175.770 174.990 -0.436 0.000 3.205 246 C CA -0.019 58.616 59.018 -0.639 0.000 1.845 246 C CB 1.201 28.656 27.740 -0.475 0.000 3.397 246 C HN 2.102 nan 8.230 nan 0.000 0.473 247 G N -1.116 107.434 108.800 -0.416 0.000 2.322 247 G HA2 0.599 4.558 3.960 -0.001 0.000 0.295 247 G HA3 0.599 4.558 3.960 -0.001 0.000 0.295 247 G C -1.201 173.611 174.900 -0.147 0.000 1.369 247 G CA 0.188 45.132 45.100 -0.260 0.000 0.821 247 G HN 1.876 nan 8.290 nan 0.000 0.536 248 V N -2.380 117.505 119.914 -0.048 0.000 3.234 248 V HA 0.969 5.088 4.120 -0.001 0.000 0.317 248 V C -0.651 175.436 176.094 -0.011 0.000 1.147 248 V CA -0.605 61.687 62.300 -0.014 0.000 1.037 248 V CB 2.038 33.748 31.823 -0.187 0.000 1.148 248 V HN 1.104 nan 8.190 nan 0.000 0.455 249 D N -0.927 119.286 120.400 -0.312 0.000 2.548 249 D HA 0.417 5.057 4.640 -0.001 0.000 0.214 249 D C -1.150 174.794 176.300 -0.593 0.000 1.345 249 D CA -0.334 53.452 54.000 -0.357 0.000 0.945 249 D CB 1.069 41.700 40.800 -0.282 0.000 1.499 249 D HN 0.423 nan 8.370 nan 0.000 0.579 250 F N 2.477 122.450 119.950 0.039 0.000 2.837 250 F HA 0.231 4.757 4.527 -0.001 0.000 0.298 250 F C 2.122 178.025 175.800 0.172 0.000 1.161 250 F CA -0.419 57.656 58.000 0.124 0.000 1.353 250 F CB 0.948 40.000 39.000 0.086 0.000 0.951 250 F HN 0.385 nan 8.300 nan 0.000 0.508 251 T N -0.925 113.695 114.554 0.110 0.000 2.897 251 T HA -0.168 4.181 4.350 -0.001 0.000 0.271 251 T C 0.797 175.478 174.700 -0.032 0.000 1.084 251 T CA 1.552 63.672 62.100 0.033 0.000 1.123 251 T CB -0.279 68.520 68.868 -0.114 0.000 0.865 251 T HN 0.252 nan 8.240 nan 0.000 0.496 252 H N 0.112 119.254 119.070 0.119 0.000 2.716 252 H HA 0.535 5.090 4.556 -0.001 0.000 0.230 252 H C -0.751 174.708 175.328 0.218 0.000 1.401 252 H CA -0.365 55.765 56.048 0.136 0.000 1.168 252 H CB 0.286 30.036 29.762 -0.020 0.000 1.935 252 H HN 0.154 nan 8.280 nan 0.000 0.538 253 S N -0.083 115.857 115.700 0.400 0.000 2.556 253 S HA 0.436 4.906 4.470 -0.001 0.000 0.271 253 S C 0.493 175.277 174.600 0.307 0.000 1.135 253 S CA -0.663 57.766 58.200 0.382 0.000 0.858 253 S CB 1.648 65.118 63.200 0.450 0.000 1.114 253 S HN 0.466 nan 8.310 nan 0.000 0.468 254 R N 2.101 122.718 120.500 0.195 0.000 2.362 254 R HA 0.328 4.668 4.340 -0.001 0.000 0.227 254 R C 1.214 177.517 176.300 0.005 0.000 0.905 254 R CA 0.126 56.267 56.100 0.069 0.000 1.067 254 R CB -0.143 30.147 30.300 -0.015 0.000 1.078 254 R HN 0.593 nan 8.270 nan 0.000 0.516 255 L N 0.662 121.912 121.223 0.044 0.000 2.265 255 L HA -0.158 4.181 4.340 -0.001 0.000 0.215 255 L C 2.341 178.997 176.870 -0.357 0.000 1.117 255 L CA 1.296 56.079 54.840 -0.095 0.000 0.782 255 L CB -0.369 41.664 42.059 -0.044 0.000 0.914 255 L HN 0.222 nan 8.230 nan 0.000 0.441 256 S N -0.817 114.585 115.700 -0.497 0.000 2.419 256 S HA -0.199 4.270 4.470 -0.001 0.000 0.235 256 S C 1.863 176.252 174.600 -0.351 0.000 1.019 256 S CA 1.234 58.965 58.200 -0.783 0.000 0.982 256 S CB -0.414 62.609 63.200 -0.295 0.000 0.789 256 S HN 0.467 nan 8.310 nan 0.000 0.490 257 N N 1.199 119.778 118.700 -0.201 0.000 2.216 257 N HA 0.032 4.772 4.740 -0.001 0.000 0.183 257 N C 1.721 177.138 175.510 -0.155 0.000 1.017 257 N CA 0.811 53.773 53.050 -0.147 0.000 0.861 257 N CB -0.469 37.953 38.487 -0.109 0.000 0.986 257 N HN 0.300 nan 8.380 nan 0.000 0.428 258 L N 1.624 122.742 121.223 -0.175 0.000 2.042 258 L HA -0.063 4.276 4.340 -0.001 0.000 0.210 258 L C 1.990 178.761 176.870 -0.164 0.000 1.076 258 L CA 1.259 56.005 54.840 -0.157 0.000 0.749 258 L CB -1.072 40.887 42.059 -0.166 0.000 0.893 258 L HN 0.178 nan 8.230 nan 0.000 0.432 259 L N -0.269 120.815 121.223 -0.233 0.000 2.201 259 L HA -0.020 4.320 4.340 -0.001 0.000 0.212 259 L C 1.400 178.169 176.870 -0.169 0.000 1.105 259 L CA 0.819 55.531 54.840 -0.214 0.000 0.775 259 L CB -0.642 41.211 42.059 -0.342 0.000 0.913 259 L HN 0.579 nan 8.230 nan 0.000 0.440 260 G N 1.113 109.810 108.800 -0.171 0.000 2.212 260 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.255 260 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.255 260 G C -0.160 174.648 174.900 -0.153 0.000 1.062 260 G CA -0.104 44.932 45.100 -0.107 0.000 0.815 260 G HN 0.306 nan 8.290 nan 0.000 0.497 261 I N -0.177 120.233 120.570 -0.266 0.000 2.466 261 I HA 0.659 4.828 4.170 -0.001 0.000 0.289 261 I C 0.243 176.367 176.117 0.011 0.000 1.026 261 I CA -0.958 60.148 61.300 -0.322 0.000 1.078 261 I CB 2.044 39.567 38.000 -0.795 0.000 1.249 261 I HN 0.183 nan 8.210 nan 0.000 0.429 262 R N 5.690 126.222 120.500 0.052 0.000 2.604 262 R HA 0.396 4.735 4.340 -0.001 0.000 0.281 262 R C -1.167 175.014 176.300 -0.198 0.000 1.020 262 R CA -0.878 55.158 56.100 -0.106 0.000 0.899 262 R CB 2.163 32.396 30.300 -0.111 0.000 1.205 262 R HN 0.572 nan 8.270 nan 0.000 0.450 263 K N 2.771 122.797 120.400 -0.623 0.000 2.472 263 K HA -0.053 4.266 4.320 -0.001 0.000 0.280 263 K C 1.103 177.559 176.600 -0.239 0.000 1.028 263 K CA 0.337 56.344 56.287 -0.468 0.000 1.045 263 K CB 0.707 32.841 32.500 -0.610 0.000 0.902 263 K HN 0.488 nan 8.250 nan 0.000 0.478 264 R N 2.037 122.445 120.500 -0.153 0.000 2.189 264 R HA -0.145 4.195 4.340 -0.001 0.000 0.223 264 R C 0.214 176.457 176.300 -0.095 0.000 1.092 264 R CA 1.363 57.416 56.100 -0.079 0.000 0.989 264 R CB 0.246 30.528 30.300 -0.029 0.000 0.876 264 R HN 0.577 nan 8.270 nan 0.000 0.457 265 Q N -0.554 119.156 119.800 -0.149 0.000 2.700 265 Q HA 0.293 4.633 4.340 -0.001 0.000 0.249 265 Q C -2.391 173.545 176.000 -0.107 0.000 1.033 265 Q CA -1.927 53.821 55.803 -0.092 0.000 0.804 265 Q CB 1.783 30.462 28.738 -0.099 0.000 1.164 265 Q HN -0.001 nan 8.270 nan 0.000 0.500 266 P HA 0.092 nan 4.420 nan 0.000 0.257 266 P C -0.190 176.956 177.300 -0.256 0.000 1.281 266 P CA 0.134 63.084 63.100 -0.249 0.000 0.826 266 P CB 0.029 31.530 31.700 -0.332 0.000 1.237 267 F N -0.430 119.464 119.950 -0.095 0.000 2.743 267 F HA 0.159 4.685 4.527 -0.001 0.000 0.297 267 F C 1.462 177.230 175.800 -0.055 0.000 1.131 267 F CA 0.072 58.035 58.000 -0.061 0.000 1.426 267 F CB -0.085 38.888 39.000 -0.046 0.000 1.116 267 F HN -0.114 nan 8.300 nan 0.000 0.583 268 Q N 2.335 122.172 119.800 0.062 0.000 2.325 268 Q HA -0.017 4.322 4.340 -0.001 0.000 0.256 268 Q C 0.105 176.105 176.000 0.000 0.000 1.142 268 Q CA -0.126 55.686 55.803 0.016 0.000 0.902 268 Q CB 0.101 28.819 28.738 -0.033 0.000 1.350 268 Q HN 0.238 nan 8.270 nan 0.000 0.449 269 E N 3.083 123.296 120.200 0.020 0.000 2.498 269 E HA 0.143 4.493 4.350 -0.001 0.000 0.252 269 E C -0.499 176.107 176.600 0.010 0.000 1.025 269 E CA 0.660 57.065 56.400 0.008 0.000 0.938 269 E CB 0.027 29.734 29.700 0.011 0.000 0.947 269 E HN 0.825 nan 8.360 nan 0.000 0.478 270 G N 4.729 113.544 108.800 0.026 0.000 2.491 270 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.508 270 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.508 270 G C -1.261 173.775 174.900 0.227 0.000 1.143 270 G CA -0.686 44.458 45.100 0.074 0.000 1.277 270 G HN 0.395 nan 8.290 nan 0.000 0.599 271 F N 4.952 124.945 119.950 0.072 0.000 2.291 271 F HA 0.678 5.204 4.527 -0.001 0.000 0.368 271 F C 0.603 176.493 175.800 0.151 0.000 1.085 271 F CA -1.743 56.356 58.000 0.165 0.000 1.165 271 F CB 0.534 39.642 39.000 0.180 0.000 1.429 271 F HN 0.589 nan 8.300 nan 0.000 0.503 272 R N 7.142 127.821 120.500 0.298 0.000 2.476 272 R HA 0.696 5.035 4.340 -0.001 0.000 0.305 272 R C -1.622 174.711 176.300 0.055 0.000 0.965 272 R CA -0.828 55.316 56.100 0.073 0.000 0.867 272 R CB 1.540 31.875 30.300 0.058 0.000 1.176 272 R HN 0.621 nan 8.270 nan 0.000 0.447 273 I N -0.375 120.157 120.570 -0.064 0.000 2.433 273 I HA 0.569 4.738 4.170 -0.001 0.000 0.292 273 I C -0.684 175.391 176.117 -0.070 0.000 1.001 273 I CA -0.652 60.585 61.300 -0.105 0.000 1.119 273 I CB 2.315 40.237 38.000 -0.130 0.000 1.289 273 I HN 0.608 nan 8.210 nan 0.000 0.438 274 T N 2.721 117.222 114.554 -0.088 0.000 2.907 274 T HA 0.298 4.647 4.350 -0.001 0.000 0.290 274 T C 0.379 175.062 174.700 -0.027 0.000 1.066 274 T CA -0.249 61.811 62.100 -0.067 0.000 1.012 274 T CB 1.164 70.000 68.868 -0.054 0.000 1.184 274 T HN 0.599 nan 8.240 nan 0.000 0.522 275 Y N 1.563 121.756 120.300 -0.179 0.000 2.193 275 Y HA -0.119 4.430 4.550 -0.001 0.000 0.285 275 Y C 1.797 177.615 175.900 -0.136 0.000 1.166 275 Y CA 2.283 60.288 58.100 -0.158 0.000 1.181 275 Y CB -0.445 37.906 38.460 -0.182 0.000 0.976 275 Y HN 0.711 nan 8.280 nan 0.000 0.520 276 D N -0.272 120.080 120.400 -0.081 0.000 2.178 276 D HA -0.154 4.485 4.640 -0.001 0.000 0.201 276 D C 1.602 177.792 176.300 -0.183 0.000 0.980 276 D CA 1.636 55.534 54.000 -0.170 0.000 0.842 276 D CB -0.201 40.534 40.800 -0.107 0.000 0.948 276 D HN 0.456 nan 8.370 nan 0.000 0.472 277 D N -0.318 119.974 120.400 -0.180 0.000 2.249 277 D HA -0.025 4.614 4.640 -0.001 0.000 0.205 277 D C 1.485 177.689 176.300 -0.159 0.000 0.962 277 D CA 0.212 54.069 54.000 -0.238 0.000 0.860 277 D CB 0.003 40.569 40.800 -0.391 0.000 0.955 277 D HN 0.174 nan 8.370 nan 0.000 0.505 278 L N 1.227 122.384 121.223 -0.110 0.000 2.645 278 L HA 0.060 4.400 4.340 -0.001 0.000 0.235 278 L C 0.769 177.566 176.870 -0.121 0.000 1.150 278 L CA 0.143 54.948 54.840 -0.058 0.000 0.911 278 L CB -0.676 41.393 42.059 0.016 0.000 1.077 278 L HN -0.067 nan 8.230 nan 0.000 0.438 279 E N -0.072 120.028 120.200 -0.167 0.000 2.558 279 E HA 0.188 4.537 4.350 -0.001 0.000 0.255 279 E C 1.230 177.741 176.600 -0.148 0.000 0.968 279 E CA 0.910 57.198 56.400 -0.187 0.000 0.939 279 E CB 0.130 29.730 29.700 -0.166 0.000 0.921 279 E HN 0.383 nan 8.360 nan 0.000 0.477 280 G N 2.738 111.437 108.800 -0.168 0.000 2.253 280 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.209 280 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.209 280 G C 0.740 175.526 174.900 -0.190 0.000 0.997 280 G CA 0.216 45.225 45.100 -0.150 0.000 0.640 280 G HN 0.789 nan 8.290 nan 0.000 0.496 281 G N 0.563 109.248 108.800 -0.193 0.000 2.662 281 G HA2 0.209 4.168 3.960 -0.001 0.000 0.215 281 G HA3 0.209 4.168 3.960 -0.001 0.000 0.215 281 G C 0.685 175.421 174.900 -0.274 0.000 1.310 281 G CA 1.062 46.052 45.100 -0.183 0.000 0.849 281 G HN 1.199 nan 8.290 nan 0.000 0.568 282 N N 0.422 118.967 118.700 -0.258 0.000 2.608 282 N HA -0.148 4.591 4.740 -0.001 0.000 0.273 282 N C 0.394 175.692 175.510 -0.352 0.000 1.133 282 N CA 0.849 53.699 53.050 -0.333 0.000 0.726 282 N CB -1.330 36.822 38.487 -0.558 0.000 0.890 282 N HN 0.772 nan 8.380 nan 0.000 0.548 283 I N -0.512 119.936 120.570 -0.204 0.000 3.015 283 I HA 0.055 4.225 4.170 -0.001 0.000 0.309 283 I C -1.607 174.554 176.117 0.072 0.000 1.229 283 I CA -0.688 60.535 61.300 -0.128 0.000 1.430 283 I CB 0.120 37.901 38.000 -0.365 0.000 1.347 283 I HN 0.176 nan 8.210 nan 0.000 0.544 284 P HA 0.145 nan 4.420 nan 0.000 0.270 284 P C -0.276 177.363 177.300 0.565 0.000 1.223 284 P CA -0.208 63.208 63.100 0.526 0.000 0.785 284 P CB 0.605 32.671 31.700 0.610 0.000 0.923 285 A N 2.469 125.597 122.820 0.513 0.000 2.366 285 A HA 0.254 4.573 4.320 -0.001 0.000 0.249 285 A C 1.132 178.929 177.584 0.356 0.000 1.084 285 A CA -0.442 51.858 52.037 0.438 0.000 0.794 285 A CB -0.504 18.687 19.000 0.319 0.000 1.034 285 A HN 0.574 nan 8.150 nan 0.000 0.491 286 L N -0.438 120.936 121.223 0.251 0.000 2.483 286 L HA 0.374 4.714 4.340 -0.001 0.000 0.159 286 L C 0.072 176.956 176.870 0.023 0.000 1.273 286 L CA 0.262 55.111 54.840 0.016 0.000 2.526 286 L CB -0.094 41.941 42.059 -0.040 0.000 2.598 286 L HN 0.677 nan 8.230 nan 0.000 0.766 287 L N -0.326 120.884 121.223 -0.023 0.000 2.847 287 L HA 0.175 4.514 4.340 -0.001 0.000 0.261 287 L C -1.204 175.644 176.870 -0.037 0.000 0.926 287 L CA -0.513 54.304 54.840 -0.037 0.000 1.010 287 L CB 1.470 43.485 42.059 -0.073 0.000 1.538 287 L HN 0.301 nan 8.230 nan 0.000 0.465 288 D N 3.784 124.167 120.400 -0.029 0.000 2.383 288 D HA 0.031 4.670 4.640 -0.001 0.000 0.275 288 D C 1.333 177.641 176.300 0.013 0.000 1.344 288 D CA 0.307 54.297 54.000 -0.016 0.000 0.984 288 D CB 1.199 41.992 40.800 -0.012 0.000 1.104 288 D HN 0.423 nan 8.370 nan 0.000 0.524 289 V N 4.264 124.186 119.914 0.013 0.000 2.231 289 V HA -0.291 3.828 4.120 -0.001 0.000 0.250 289 V C 2.018 178.158 176.094 0.076 0.000 1.058 289 V CA 1.793 64.119 62.300 0.044 0.000 1.022 289 V CB -0.320 31.517 31.823 0.024 0.000 0.640 289 V HN 0.573 nan 8.190 nan 0.000 0.445 290 D N 0.295 120.720 120.400 0.043 0.000 2.224 290 D HA 0.017 4.656 4.640 -0.001 0.000 0.205 290 D C 1.630 177.956 176.300 0.043 0.000 0.965 290 D CA 1.329 55.350 54.000 0.035 0.000 0.852 290 D CB 0.002 40.810 40.800 0.014 0.000 0.947 290 D HN 0.505 nan 8.370 nan 0.000 0.494 291 A N -0.302 122.550 122.820 0.054 0.000 2.648 291 A HA 0.116 4.435 4.320 -0.001 0.000 0.269 291 A C 0.553 178.221 177.584 0.139 0.000 1.392 291 A CA -0.034 52.040 52.037 0.062 0.000 1.019 291 A CB -0.473 18.547 19.000 0.034 0.000 1.009 291 A HN 0.366 nan 8.150 nan 0.000 0.565 292 Y N -2.595 117.695 120.300 -0.018 0.000 3.032 292 Y HA 0.065 4.615 4.550 -0.001 0.000 0.232 292 Y C 1.722 177.612 175.900 -0.015 0.000 1.107 292 Y CA 0.697 58.786 58.100 -0.018 0.000 1.355 292 Y CB -0.040 38.408 38.460 -0.020 0.000 1.413 292 Y HN 0.206 nan 8.280 nan 0.000 0.447 293 Q N 1.011 120.835 119.800 0.039 0.000 2.083 293 Q HA 0.066 4.405 4.340 -0.001 0.000 0.198 293 Q C 1.609 177.559 176.000 -0.084 0.000 0.969 293 Q CA 1.488 57.242 55.803 -0.081 0.000 0.838 293 Q CB 0.070 28.837 28.738 0.049 0.000 0.900 293 Q HN 0.555 nan 8.270 nan 0.000 0.436 294 A N -0.015 122.785 122.820 -0.033 0.000 2.278 294 A HA 0.050 4.369 4.320 -0.001 0.000 0.212 294 A C 1.579 179.139 177.584 -0.041 0.000 1.213 294 A CA 0.906 52.923 52.037 -0.033 0.000 0.840 294 A CB -0.008 18.985 19.000 -0.012 0.000 0.866 294 A HN 0.279 nan 8.150 nan 0.000 0.489 295 S N -1.228 114.436 115.700 -0.060 0.000 2.632 295 S HA 0.406 4.876 4.470 -0.001 0.000 0.237 295 S C 0.498 175.041 174.600 -0.096 0.000 1.037 295 S CA 0.173 58.340 58.200 -0.055 0.000 1.009 295 S CB -0.711 62.478 63.200 -0.018 0.000 0.974 295 S HN 0.474 nan 8.310 nan 0.000 0.544 313 K N 0.912 121.333 120.400 0.035 0.000 2.345 313 K HA 0.652 4.972 4.320 -0.001 0.000 0.255 313 K C -2.048 174.599 176.600 0.079 0.000 0.934 313 K CA -1.225 55.109 56.287 0.078 0.000 0.801 313 K CB 1.906 34.478 32.500 0.119 0.000 1.137 313 K HN -0.170 nan 8.250 nan 0.000 0.424 314 P HA 0.034 nan 4.420 nan 0.000 0.254 314 P C 1.043 178.386 177.300 0.072 0.000 1.620 314 P CA -0.171 62.977 63.100 0.079 0.000 1.050 314 P CB 0.055 31.798 31.700 0.072 0.000 1.539 315 V N -0.005 119.946 119.914 0.062 0.000 2.277 315 V HA -0.303 3.817 4.120 -0.001 0.000 0.255 315 V C 2.003 178.040 176.094 -0.096 0.000 1.074 315 V CA 2.167 64.416 62.300 -0.085 0.000 1.058 315 V CB -2.093 29.636 31.823 -0.156 0.000 0.656 315 V HN 0.284 nan 8.190 nan 0.000 0.449 316 I N -1.025 119.510 120.570 -0.059 0.000 3.443 316 I HA 0.213 4.382 4.170 -0.001 0.000 0.312 316 I C 0.802 176.897 176.117 -0.037 0.000 1.155 316 I CA 0.594 61.859 61.300 -0.058 0.000 1.210 316 I CB -0.906 37.063 38.000 -0.052 0.000 0.999 316 I HN 0.215 nan 8.210 nan 0.000 0.537 317 K N 3.041 123.421 120.400 -0.032 0.000 2.334 317 K HA 0.483 4.802 4.320 -0.001 0.000 0.265 317 K C -2.531 174.059 176.600 -0.017 0.000 1.039 317 K CA -2.024 54.252 56.287 -0.017 0.000 0.920 317 K CB 1.189 33.686 32.500 -0.006 0.000 1.160 317 K HN 0.016 nan 8.250 nan 0.000 0.451 318 P HA -0.010 nan 4.420 nan 0.000 0.272 318 P C -0.711 176.583 177.300 -0.009 0.000 1.230 318 P CA -0.499 62.612 63.100 0.019 0.000 0.788 318 P CB 0.581 32.314 31.700 0.055 0.000 0.949 319 L N 2.259 123.469 121.223 -0.023 0.000 2.391 319 L HA 0.069 4.408 4.340 -0.001 0.000 0.249 319 L C 1.762 178.491 176.870 -0.235 0.000 1.308 319 L CA 0.413 55.179 54.840 -0.122 0.000 1.209 319 L CB -1.347 40.627 42.059 -0.142 0.000 1.401 319 L HN 0.443 nan 8.230 nan 0.000 0.416 320 T N 0.644 115.121 114.554 -0.128 0.000 2.701 320 T HA -0.237 4.112 4.350 -0.001 0.000 0.265 320 T C 0.822 175.408 174.700 -0.191 0.000 1.032 320 T CA 2.241 64.280 62.100 -0.101 0.000 1.158 320 T CB 0.057 68.896 68.868 -0.048 0.000 0.854 320 T HN 0.702 nan 8.240 nan 0.000 0.463 321 E N -0.638 119.402 120.200 -0.267 0.000 2.428 321 E HA 0.597 4.946 4.350 -0.001 0.000 0.259 321 E C -1.477 174.891 176.600 -0.386 0.000 0.930 321 E CA -0.957 55.284 56.400 -0.265 0.000 0.823 321 E CB 1.352 30.986 29.700 -0.110 0.000 1.403 321 E HN 0.128 nan 8.360 nan 0.000 0.415 322 D N -0.838 119.435 120.400 -0.212 0.000 2.756 322 D HA 0.226 4.866 4.640 -0.001 0.000 0.226 322 D C 0.373 176.658 176.300 -0.024 0.000 1.186 322 D CA -0.298 53.627 54.000 -0.126 0.000 0.845 322 D CB 1.916 42.706 40.800 -0.017 0.000 1.610 322 D HN 0.335 nan 8.370 nan 0.000 0.465 323 S N 2.243 117.937 115.700 -0.010 0.000 2.396 323 S HA -0.340 4.130 4.470 -0.001 0.000 0.476 323 S C 0.772 175.383 174.600 0.018 0.000 1.048 323 S CA 2.207 60.413 58.200 0.011 0.000 2.784 323 S CB -0.443 62.775 63.200 0.030 0.000 2.036 323 S HN 0.617 nan 8.310 nan 0.000 0.520 324 K N 1.398 121.821 120.400 0.038 0.000 3.226 324 K HA 0.226 4.545 4.320 -0.001 0.000 0.268 324 K C -0.061 176.564 176.600 0.041 0.000 1.217 324 K CA -0.068 56.245 56.287 0.044 0.000 1.242 324 K CB 0.017 32.554 32.500 0.061 0.000 1.389 324 K HN 0.390 nan 8.250 nan 0.000 0.406 325 K N 2.067 122.479 120.400 0.020 0.000 3.974 325 K HA -0.212 4.107 4.320 -0.001 0.000 0.280 325 K C -1.197 175.415 176.600 0.020 0.000 0.949 325 K CA 0.642 56.935 56.287 0.009 0.000 0.817 325 K CB -0.572 31.934 32.500 0.010 0.000 1.535 325 K HN 0.471 nan 8.250 nan 0.000 0.444 326 R N 0.724 121.238 120.500 0.025 0.000 2.388 326 R HA 0.236 4.576 4.340 -0.001 0.000 0.314 326 R C 0.007 176.357 176.300 0.084 0.000 0.959 326 R CA -0.664 55.473 56.100 0.062 0.000 0.851 326 R CB 1.469 31.828 30.300 0.098 0.000 1.168 326 R HN 0.261 nan 8.270 nan 0.000 0.472 327 S N 1.823 117.570 115.700 0.078 0.000 2.572 327 S HA 0.043 4.513 4.470 -0.001 0.000 0.279 327 S C 0.311 175.087 174.600 0.293 0.000 1.341 327 S CA -0.394 57.863 58.200 0.095 0.000 1.043 327 S CB 0.410 63.640 63.200 0.050 0.000 0.887 327 S HN 0.710 nan 8.310 nan 0.000 0.516 328 Y N 1.128 121.467 120.300 0.065 0.000 2.468 328 Y HA 0.151 4.700 4.550 -0.001 0.000 0.268 328 Y C 0.529 176.453 175.900 0.040 0.000 1.177 328 Y CA -0.746 57.427 58.100 0.123 0.000 1.265 328 Y CB -0.141 38.412 38.460 0.155 0.000 1.103 328 Y HN 0.756 nan 8.280 nan 0.000 0.522 329 N N 1.013 119.786 118.700 0.121 0.000 2.714 329 N HA -0.219 4.520 4.740 -0.001 0.000 0.252 329 N C -0.754 174.777 175.510 0.036 0.000 1.014 329 N CA 0.518 53.564 53.050 -0.007 0.000 0.735 329 N CB -1.828 36.543 38.487 -0.193 0.000 0.924 329 N HN 0.405 nan 8.380 nan 0.000 0.540 330 L N 0.633 121.919 121.223 0.106 0.000 2.456 330 L HA 0.125 4.465 4.340 -0.001 0.000 0.272 330 L C 2.466 179.389 176.870 0.089 0.000 1.189 330 L CA -0.582 54.334 54.840 0.127 0.000 0.846 330 L CB 0.283 42.425 42.059 0.138 0.000 1.111 330 L HN 0.077 nan 8.230 nan 0.000 0.475 331 I N 0.042 120.677 120.570 0.109 0.000 2.113 331 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 331 I C 1.264 177.419 176.117 0.064 0.000 1.064 331 I CA 1.750 63.104 61.300 0.090 0.000 1.320 331 I CB -0.527 37.547 38.000 0.122 0.000 1.028 331 I HN 0.789 nan 8.210 nan 0.000 0.406 332 S N -0.883 114.855 115.700 0.063 0.000 2.705 332 S HA 0.327 4.796 4.470 -0.001 0.000 0.280 332 S C 0.586 175.211 174.600 0.041 0.000 1.174 332 S CA -0.706 57.519 58.200 0.042 0.000 0.823 332 S CB 1.333 64.553 63.200 0.034 0.000 1.162 332 S HN 0.178 nan 8.310 nan 0.000 0.487 333 N N 1.012 119.727 118.700 0.026 0.000 2.309 333 N HA -0.096 4.643 4.740 -0.001 0.000 0.182 333 N C 0.432 175.950 175.510 0.014 0.000 1.018 333 N CA 0.844 53.906 53.050 0.020 0.000 0.876 333 N CB -0.181 38.313 38.487 0.011 0.000 0.972 333 N HN 0.546 nan 8.380 nan 0.000 0.434 334 D N 1.158 121.565 120.400 0.011 0.000 2.117 334 D HA -0.065 4.574 4.640 -0.001 0.000 0.198 334 D C 0.875 177.170 176.300 -0.008 0.000 0.982 334 D CA 0.536 54.535 54.000 -0.002 0.000 0.828 334 D CB -0.100 40.698 40.800 -0.003 0.000 0.967 334 D HN 0.048 nan 8.370 nan 0.000 0.464 335 S N -0.135 115.573 115.700 0.015 0.000 2.549 335 S HA 0.037 4.507 4.470 -0.001 0.000 0.286 335 S C 1.294 175.905 174.600 0.018 0.000 1.314 335 S CA 0.155 58.367 58.200 0.019 0.000 1.062 335 S CB 1.054 64.310 63.200 0.094 0.000 0.865 335 S HN 0.260 nan 8.310 nan 0.000 0.498 336 T N 2.908 117.418 114.554 -0.073 0.000 3.086 336 T HA 0.337 4.687 4.350 -0.001 0.000 0.250 336 T C 0.099 174.889 174.700 0.150 0.000 1.074 336 T CA -0.302 61.764 62.100 -0.055 0.000 0.988 336 T CB -0.559 68.177 68.868 -0.219 0.000 0.988 336 T HN 0.492 nan 8.240 nan 0.000 0.530 337 F N 1.663 121.694 119.950 0.135 0.000 2.556 337 F HA 0.581 5.108 4.527 -0.001 0.000 0.327 337 F C 0.905 176.790 175.800 0.141 0.000 1.059 337 F CA -1.530 56.557 58.000 0.146 0.000 0.953 337 F CB 1.898 40.961 39.000 0.105 0.000 1.227 337 F HN -0.007 nan 8.300 nan 0.000 0.478 338 T N -1.911 112.842 114.554 0.331 0.000 2.944 338 T HA 0.210 4.560 4.350 -0.001 0.000 0.284 338 T C 0.254 175.033 174.700 0.130 0.000 1.010 338 T CA -0.670 61.564 62.100 0.224 0.000 1.025 338 T CB 1.700 70.719 68.868 0.251 0.000 1.079 338 T HN 0.699 nan 8.240 nan 0.000 0.516 339 Q N -0.226 119.606 119.800 0.053 0.000 2.482 339 Q HA 0.081 4.420 4.340 -0.001 0.000 0.209 339 Q C -0.536 175.468 176.000 0.006 0.000 0.961 339 Q CA 0.298 56.124 55.803 0.039 0.000 0.945 339 Q CB -0.098 28.629 28.738 -0.018 0.000 1.012 339 Q HN 0.671 nan 8.270 nan 0.000 0.515 340 Y N 0.680 120.959 120.300 -0.035 0.000 2.436 340 Y HA 0.136 4.685 4.550 -0.001 0.000 0.336 340 Y C 0.455 176.277 175.900 -0.130 0.000 1.049 340 Y CA -0.339 57.681 58.100 -0.134 0.000 1.294 340 Y CB 0.507 38.826 38.460 -0.234 0.000 1.179 340 Y HN -0.099 nan 8.280 nan 0.000 0.520 341 R N 1.814 122.380 120.500 0.111 0.000 2.532 341 R HA 0.439 4.778 4.340 -0.001 0.000 0.295 341 R C -0.931 175.338 176.300 -0.053 0.000 0.968 341 R CA -0.485 55.640 56.100 0.043 0.000 0.916 341 R CB 1.504 31.926 30.300 0.204 0.000 1.124 341 R HN 0.573 nan 8.270 nan 0.000 0.463 342 S N 3.013 118.661 115.700 -0.086 0.000 2.478 342 S HA 0.139 4.608 4.470 -0.001 0.000 0.312 342 S C 0.281 174.913 174.600 0.053 0.000 1.094 342 S CA -0.815 57.357 58.200 -0.047 0.000 1.081 342 S CB 0.592 63.735 63.200 -0.095 0.000 1.007 342 S HN 0.790 nan 8.310 nan 0.000 0.475 343 W N 5.432 126.732 121.300 0.000 0.000 2.338 343 W HA -0.185 4.474 4.660 -0.001 0.000 0.304 343 W C 1.531 178.132 176.519 0.136 0.000 1.212 343 W CA 1.776 59.153 57.345 0.054 0.000 1.264 343 W CB -0.595 28.891 29.460 0.044 0.000 1.142 343 W HN 0.968 nan 8.180 nan 0.000 0.512 344 Y N 0.534 120.760 120.300 -0.124 0.000 2.224 344 Y HA -0.241 4.308 4.550 -0.001 0.000 0.289 344 Y C 2.248 177.954 175.900 -0.323 0.000 1.146 344 Y CA 2.525 60.440 58.100 -0.308 0.000 1.182 344 Y CB -0.505 37.958 38.460 0.004 0.000 0.983 344 Y HN -0.077 nan 8.280 nan 0.000 0.524 345 L N -1.024 120.176 121.223 -0.039 0.000 2.179 345 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 345 L C 2.663 179.396 176.870 -0.228 0.000 1.096 345 L CA 0.906 55.699 54.840 -0.078 0.000 0.779 345 L CB -1.059 41.038 42.059 0.064 0.000 0.922 345 L HN 0.269 nan 8.230 nan 0.000 0.443 346 A N -0.453 122.213 122.820 -0.256 0.000 1.897 346 A HA -0.247 4.073 4.320 -0.001 0.000 0.215 346 A C 2.181 179.537 177.584 -0.379 0.000 1.181 346 A CA 1.074 52.955 52.037 -0.261 0.000 0.620 346 A CB -0.747 18.145 19.000 -0.179 0.000 0.821 346 A HN 0.414 nan 8.150 nan 0.000 0.443 347 Y N 0.590 120.487 120.300 -0.672 0.000 2.293 347 Y HA -0.119 4.431 4.550 -0.001 0.000 0.291 347 Y C 2.184 177.723 175.900 -0.600 0.000 1.137 347 Y CA 1.948 59.634 58.100 -0.690 0.000 1.202 347 Y CB 0.097 37.866 38.460 -1.153 0.000 0.990 347 Y HN 0.320 nan 8.280 nan 0.000 0.537 348 N N -2.017 116.272 118.700 -0.684 0.000 2.508 348 N HA -0.030 4.710 4.740 -0.001 0.000 0.186 348 N C 0.882 175.946 175.510 -0.743 0.000 1.034 348 N CA 1.057 53.624 53.050 -0.806 0.000 0.885 348 N CB -0.178 37.613 38.487 -1.160 0.000 1.135 348 N HN 0.388 nan 8.380 nan 0.000 0.435 349 Y N 0.568 120.717 120.300 -0.251 0.000 2.442 349 Y HA 0.351 4.901 4.550 -0.001 0.000 0.250 349 Y C 1.681 177.479 175.900 -0.170 0.000 1.113 349 Y CA -0.508 57.479 58.100 -0.188 0.000 1.273 349 Y CB 0.518 38.869 38.460 -0.182 0.000 1.138 349 Y HN -0.085 nan 8.280 nan 0.000 0.522 350 G N 0.023 108.750 108.800 -0.121 0.000 2.611 350 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.273 350 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.273 350 G C -0.749 174.086 174.900 -0.109 0.000 1.305 350 G CA -0.436 44.598 45.100 -0.111 0.000 1.010 350 G HN 0.084 nan 8.290 nan 0.000 0.509 351 D N 0.467 120.816 120.400 -0.085 0.000 2.382 351 D HA 0.068 4.707 4.640 -0.001 0.000 0.259 351 D C -1.029 175.210 176.300 -0.102 0.000 1.224 351 D CA -1.278 52.678 54.000 -0.072 0.000 0.894 351 D CB 1.603 42.377 40.800 -0.044 0.000 1.127 351 D HN 0.010 nan 8.370 nan 0.000 0.487 352 P HA -0.098 nan 4.420 nan 0.000 0.230 352 P C 0.737 177.976 177.300 -0.102 0.000 1.158 352 P CA 0.948 63.955 63.100 -0.154 0.000 0.769 352 P CB 0.496 32.111 31.700 -0.143 0.000 0.807 353 Q N -1.850 117.915 119.800 -0.059 0.000 2.353 353 Q HA 0.089 4.428 4.340 -0.001 0.000 0.240 353 Q C 1.672 177.671 176.000 -0.001 0.000 0.868 353 Q CA 0.699 56.485 55.803 -0.028 0.000 0.944 353 Q CB 0.317 29.042 28.738 -0.022 0.000 1.104 353 Q HN 0.123 nan 8.270 nan 0.000 0.531 354 T N -0.152 114.398 114.554 -0.006 0.000 2.976 354 T HA 0.107 4.457 4.350 -0.001 0.000 0.257 354 T C 0.647 175.369 174.700 0.037 0.000 1.051 354 T CA 0.913 63.022 62.100 0.014 0.000 1.141 354 T CB 0.241 69.107 68.868 -0.003 0.000 0.881 354 T HN 0.314 nan 8.240 nan 0.000 0.461 355 G N 0.056 108.865 108.800 0.016 0.000 3.107 355 G HA2 0.503 4.462 3.960 -0.001 0.000 0.232 355 G HA3 0.503 4.462 3.960 -0.001 0.000 0.232 355 G C 0.497 175.449 174.900 0.087 0.000 1.339 355 G CA -0.716 44.405 45.100 0.034 0.000 1.033 355 G HN 0.066 nan 8.290 nan 0.000 0.567 356 I N 0.037 120.667 120.570 0.101 0.000 2.576 356 I HA -0.154 4.016 4.170 -0.001 0.000 0.263 356 I C 2.706 178.972 176.117 0.249 0.000 1.183 356 I CA 0.932 62.390 61.300 0.263 0.000 1.432 356 I CB 0.000 38.157 38.000 0.262 0.000 1.100 356 I HN 0.495 nan 8.210 nan 0.000 0.452 357 R N -0.889 119.556 120.500 -0.093 0.000 2.148 357 R HA -0.132 4.207 4.340 -0.001 0.000 0.227 357 R C 2.393 178.651 176.300 -0.070 0.000 1.103 357 R CA 1.436 57.299 56.100 -0.395 0.000 0.983 357 R CB -0.126 29.738 30.300 -0.725 0.000 0.874 357 R HN 0.337 nan 8.270 nan 0.000 0.451 358 S N -0.466 115.258 115.700 0.041 0.000 2.425 358 S HA -0.083 4.386 4.470 -0.001 0.000 0.225 358 S C 1.433 176.096 174.600 0.105 0.000 1.024 358 S CA 0.207 58.446 58.200 0.064 0.000 0.951 358 S CB -0.237 62.996 63.200 0.055 0.000 0.796 358 S HN 0.560 nan 8.310 nan 0.000 0.498 359 W N 1.791 123.152 121.300 0.101 0.000 2.388 359 W HA 0.077 4.737 4.660 -0.001 0.000 0.294 359 W C 1.056 177.688 176.519 0.190 0.000 1.212 359 W CA 1.437 58.870 57.345 0.147 0.000 1.271 359 W CB -0.323 29.255 29.460 0.196 0.000 1.126 359 W HN 0.301 nan 8.180 nan 0.000 0.535 360 T N -0.805 114.002 114.554 0.422 0.000 2.654 360 T HA 0.521 4.870 4.350 -0.001 0.000 0.289 360 T C -1.787 173.221 174.700 0.514 0.000 1.062 360 T CA -0.619 61.758 62.100 0.462 0.000 1.041 360 T CB 1.208 70.536 68.868 0.768 0.000 1.417 360 T HN -0.191 nan 8.240 nan 0.000 0.510 361 L N 1.892 123.348 121.223 0.387 0.000 2.455 361 L HA 0.742 5.081 4.340 -0.001 0.000 0.264 361 L C -1.701 175.139 176.870 -0.050 0.000 0.968 361 L CA -0.852 54.121 54.840 0.220 0.000 0.827 361 L CB 1.859 43.985 42.059 0.112 0.000 1.317 361 L HN 0.581 nan 8.230 nan 0.000 0.407 362 L N 5.102 126.071 121.223 -0.422 0.000 2.295 362 L HA 0.497 4.837 4.340 -0.001 0.000 0.288 362 L C -0.762 176.065 176.870 -0.073 0.000 1.079 362 L CA 0.167 54.812 54.840 -0.325 0.000 0.830 362 L CB -0.316 41.356 42.059 -0.645 0.000 1.200 362 L HN 0.765 nan 8.230 nan 0.000 0.438 363 C N 1.774 121.067 119.300 -0.013 0.000 2.595 363 C HA 0.721 5.181 4.460 -0.001 0.000 0.338 363 C C 0.806 175.800 174.990 0.007 0.000 1.219 363 C CA -0.808 58.205 59.018 -0.009 0.000 1.811 363 C CB 1.512 29.236 27.740 -0.028 0.000 2.313 363 C HN 0.829 nan 8.230 nan 0.000 0.499 364 T N 0.972 115.522 114.554 -0.006 0.000 2.918 364 T HA 0.296 4.645 4.350 -0.001 0.000 0.302 364 T C -2.417 172.266 174.700 -0.028 0.000 1.045 364 T CA -0.706 61.388 62.100 -0.011 0.000 1.114 364 T CB 0.140 68.985 68.868 -0.038 0.000 0.965 364 T HN 0.577 nan 8.240 nan 0.000 0.540 365 P HA 0.139 nan 4.420 nan 0.000 0.261 365 P C -0.771 176.489 177.300 -0.066 0.000 1.183 365 P CA 0.213 63.284 63.100 -0.048 0.000 0.761 365 P CB 0.168 31.850 31.700 -0.031 0.000 0.785 366 D N 2.478 122.830 120.400 -0.081 0.000 2.412 366 D HA 0.070 4.710 4.640 -0.001 0.000 0.224 366 D C 1.004 177.248 176.300 -0.093 0.000 1.093 366 D CA -0.441 53.508 54.000 -0.085 0.000 0.850 366 D CB 0.711 41.461 40.800 -0.083 0.000 1.046 366 D HN -0.062 nan 8.370 nan 0.000 0.507 367 V N 3.416 123.271 119.914 -0.097 0.000 3.026 367 V HA -0.158 3.961 4.120 -0.001 0.000 0.265 367 V C 1.461 177.493 176.094 -0.103 0.000 1.121 367 V CA 2.254 64.492 62.300 -0.102 0.000 1.142 367 V CB -0.369 31.384 31.823 -0.116 0.000 0.730 367 V HN 0.734 nan 8.190 nan 0.000 0.503 368 T N -2.714 111.780 114.554 -0.100 0.000 2.976 368 T HA -0.030 4.319 4.350 -0.001 0.000 0.257 368 T C 1.320 175.963 174.700 -0.095 0.000 1.051 368 T CA 0.874 62.917 62.100 -0.095 0.000 1.141 368 T CB -0.168 68.651 68.868 -0.081 0.000 0.881 368 T HN 0.517 nan 8.240 nan 0.000 0.461 369 C N 0.022 119.265 119.300 -0.094 0.000 5.277 369 C HA -0.059 4.400 4.460 -0.001 0.000 0.225 369 C C 1.882 176.810 174.990 -0.103 0.000 1.237 369 C CA 0.469 59.429 59.018 -0.096 0.000 1.297 369 C CB -1.744 25.944 27.740 -0.088 0.000 1.947 369 C HN 0.843 nan 8.230 nan 0.000 0.642 370 G N -1.096 107.642 108.800 -0.103 0.000 4.130 370 G HA2 0.405 4.365 3.960 -0.001 0.000 0.162 370 G HA3 0.405 4.365 3.960 -0.001 0.000 0.162 370 G C 0.348 175.191 174.900 -0.094 0.000 1.099 370 G CA 0.974 46.008 45.100 -0.110 0.000 0.889 370 G HN 2.001 nan 8.290 nan 0.000 0.547 371 S N 0.729 116.378 115.700 -0.084 0.000 3.292 371 S HA -0.215 4.254 4.470 -0.001 0.000 0.360 371 S C -0.096 174.463 174.600 -0.068 0.000 0.930 371 S CA 1.485 59.648 58.200 -0.062 0.000 1.317 371 S CB -1.830 61.350 63.200 -0.032 0.000 0.920 371 S HN 0.709 nan 8.310 nan 0.000 0.540 372 E N 1.913 122.052 120.200 -0.101 0.000 2.349 372 E HA 0.251 4.601 4.350 -0.001 0.000 0.265 372 E C 0.814 177.348 176.600 -0.110 0.000 1.064 372 E CA -0.781 55.546 56.400 -0.120 0.000 0.886 372 E CB 0.427 30.022 29.700 -0.174 0.000 1.036 372 E HN 0.774 nan 8.360 nan 0.000 0.413 373 Q N 1.290 121.009 119.800 -0.134 0.000 2.260 373 Q HA 0.322 4.661 4.340 -0.001 0.000 0.242 373 Q C -0.313 175.529 176.000 -0.262 0.000 0.932 373 Q CA -0.659 55.067 55.803 -0.129 0.000 0.891 373 Q CB 1.238 29.933 28.738 -0.072 0.000 1.222 373 Q HN 0.327 nan 8.270 nan 0.000 0.453 374 V N -0.381 119.437 119.914 -0.161 0.000 2.975 374 V HA 0.718 4.838 4.120 -0.001 0.000 0.318 374 V C -1.125 174.942 176.094 -0.045 0.000 1.077 374 V CA -1.008 61.175 62.300 -0.194 0.000 1.000 374 V CB 1.095 32.846 31.823 -0.121 0.000 1.066 374 V HN 0.737 nan 8.190 nan 0.000 0.452 375 Y N -0.936 119.312 120.300 -0.086 0.000 2.442 375 Y HA 0.661 5.210 4.550 -0.001 0.000 0.344 375 Y C -0.818 174.994 175.900 -0.146 0.000 0.976 375 Y CA -1.019 57.046 58.100 -0.058 0.000 1.040 375 Y CB 1.204 39.687 38.460 0.039 0.000 1.228 375 Y HN 0.721 nan 8.280 nan 0.000 0.451 376 W N 1.809 123.131 121.300 0.038 0.000 2.316 376 W HA 0.628 5.287 4.660 -0.001 0.000 0.321 376 W C -0.478 176.006 176.519 -0.058 0.000 1.203 376 W CA -0.365 56.957 57.345 -0.039 0.000 1.214 376 W CB 1.565 30.937 29.460 -0.146 0.000 1.169 376 W HN 0.460 nan 8.180 nan 0.000 0.561 377 S N 2.565 118.375 115.700 0.182 0.000 2.672 377 S HA 0.583 5.053 4.470 -0.001 0.000 0.291 377 S C -0.799 173.795 174.600 -0.010 0.000 1.145 377 S CA -0.881 57.355 58.200 0.061 0.000 1.013 377 S CB 0.937 64.210 63.200 0.120 0.000 1.017 377 S HN 0.514 nan 8.310 nan 0.000 0.487 378 L N 2.916 124.099 121.223 -0.067 0.000 3.209 378 L HA 0.330 4.669 4.340 -0.001 0.000 0.279 378 L C -1.706 175.069 176.870 -0.157 0.000 1.301 378 L CA -1.427 53.352 54.840 -0.100 0.000 1.004 378 L CB 1.117 43.140 42.059 -0.060 0.000 1.402 378 L HN 0.487 nan 8.230 nan 0.000 0.577 379 P HA -0.047 nan 4.420 nan 0.000 0.239 379 P C 0.083 177.267 177.300 -0.192 0.000 1.184 379 P CA 0.760 63.724 63.100 -0.225 0.000 0.760 379 P CB 0.218 31.699 31.700 -0.365 0.000 0.884 380 D N -1.833 118.456 120.400 -0.184 0.000 2.340 380 D HA 0.194 4.833 4.640 -0.001 0.000 0.217 380 D C 1.514 177.759 176.300 -0.092 0.000 1.081 380 D CA 0.360 54.284 54.000 -0.126 0.000 0.842 380 D CB 0.234 40.961 40.800 -0.123 0.000 0.934 380 D HN 0.168 nan 8.370 nan 0.000 0.511 381 M N -0.917 118.627 119.600 -0.093 0.000 3.103 381 M HA 0.230 4.709 4.480 -0.001 0.000 0.208 381 M C -0.660 175.605 176.300 -0.059 0.000 1.849 381 M CA -0.029 55.225 55.300 -0.076 0.000 1.378 381 M CB 0.525 33.074 32.600 -0.085 0.000 1.142 381 M HN -0.179 nan 8.290 nan 0.000 0.600 382 M N 2.409 121.969 119.600 -0.065 0.000 2.249 382 M HA 0.060 4.539 4.480 -0.001 0.000 0.340 382 M C -0.349 175.926 176.300 -0.041 0.000 1.166 382 M CA 0.641 55.910 55.300 -0.051 0.000 1.115 382 M CB 0.249 32.809 32.600 -0.067 0.000 1.606 382 M HN 0.210 nan 8.290 nan 0.000 0.448 383 Q N 3.233 123.024 119.800 -0.015 0.000 2.276 383 Q HA 0.024 4.363 4.340 -0.001 0.000 0.267 383 Q C -0.646 175.334 176.000 -0.033 0.000 1.135 383 Q CA -0.310 55.490 55.803 -0.004 0.000 0.910 383 Q CB -0.094 28.659 28.738 0.025 0.000 1.271 383 Q HN 0.526 nan 8.270 nan 0.000 0.417 384 D N 5.539 125.916 120.400 -0.037 0.000 2.661 384 D HA -0.040 4.600 4.640 -0.001 0.000 0.244 384 D C -1.908 174.374 176.300 -0.030 0.000 1.196 384 D CA -0.605 53.360 54.000 -0.058 0.000 0.881 384 D CB -0.258 40.549 40.800 0.012 0.000 1.141 384 D HN 0.275 nan 8.370 nan 0.000 0.530 385 P HA -0.066 nan 4.420 nan 0.000 0.272 385 P C 0.217 177.609 177.300 0.153 0.000 1.243 385 P CA -0.475 62.614 63.100 -0.018 0.000 0.803 385 P CB 0.279 31.901 31.700 -0.129 0.000 0.974 386 V N -2.699 117.302 119.914 0.145 0.000 2.694 386 V HA 0.130 4.249 4.120 -0.001 0.000 0.306 386 V C 1.570 177.782 176.094 0.196 0.000 1.054 386 V CA 0.775 63.156 62.300 0.136 0.000 1.161 386 V CB -0.886 30.987 31.823 0.083 0.000 0.916 386 V HN 1.096 nan 8.190 nan 0.000 0.490 387 T N 0.800 115.420 114.554 0.110 0.000 9.545 387 T HA -0.280 4.070 4.350 -0.001 0.000 0.344 387 T C -0.151 174.562 174.700 0.022 0.000 1.908 387 T CA 1.186 63.304 62.100 0.030 0.000 3.011 387 T CB -2.473 66.359 68.868 -0.059 0.000 2.298 387 T HN 0.929 nan 8.240 nan 0.000 0.992 388 F N 3.934 123.884 119.950 0.001 0.000 2.472 388 F HA 0.586 5.113 4.527 -0.001 0.000 0.364 388 F C 1.302 177.114 175.800 0.020 0.000 1.090 388 F CA -0.850 57.155 58.000 0.008 0.000 1.188 388 F CB 0.613 39.617 39.000 0.006 0.000 1.105 388 F HN 0.093 nan 8.300 nan 0.000 0.536 389 R N 1.626 122.216 120.500 0.150 0.000 2.570 389 R HA 0.005 4.344 4.340 -0.001 0.000 0.277 389 R C 0.103 176.494 176.300 0.152 0.000 1.039 389 R CA -0.148 56.019 56.100 0.112 0.000 1.065 389 R CB 0.580 30.919 30.300 0.064 0.000 0.964 389 R HN 0.470 nan 8.270 nan 0.000 0.428 390 S N 1.414 117.184 115.700 0.116 0.000 2.409 390 S HA 0.196 4.666 4.470 -0.001 0.000 0.308 390 S C -0.094 174.581 174.600 0.125 0.000 1.080 390 S CA -0.081 58.190 58.200 0.118 0.000 1.081 390 S CB 0.294 63.543 63.200 0.082 0.000 1.009 390 S HN 0.529 nan 8.310 nan 0.000 0.502 391 T N 1.728 116.394 114.554 0.185 0.000 2.858 391 T HA 0.575 4.925 4.350 -0.001 0.000 0.285 391 T C 0.418 175.296 174.700 0.297 0.000 1.052 391 T CA -0.304 61.902 62.100 0.176 0.000 1.009 391 T CB 1.450 70.381 68.868 0.105 0.000 1.241 391 T HN 0.525 nan 8.240 nan 0.000 0.542 392 S N 0.460 116.284 115.700 0.206 0.000 2.937 392 S HA 0.291 4.760 4.470 -0.001 0.000 0.252 392 S C 0.065 174.680 174.600 0.026 0.000 1.022 392 S CA -0.431 57.937 58.200 0.280 0.000 1.079 392 S CB 0.021 63.333 63.200 0.185 0.000 1.035 392 S HN 0.631 nan 8.310 nan 0.000 0.594 393 Q N 1.595 121.284 119.800 -0.185 0.000 2.349 393 Q HA 0.403 4.742 4.340 -0.001 0.000 0.254 393 Q C 0.602 176.100 176.000 -0.837 0.000 0.980 393 Q CA -0.358 55.251 55.803 -0.324 0.000 0.924 393 Q CB 0.531 29.160 28.738 -0.182 0.000 1.209 393 Q HN 0.567 nan 8.270 nan 0.000 0.445 394 I N 1.829 121.937 120.570 -0.769 0.000 2.953 394 I HA -0.235 3.934 4.170 -0.001 0.000 0.271 394 I C 0.944 176.727 176.117 -0.557 0.000 1.286 394 I CA 0.767 61.524 61.300 -0.906 0.000 1.449 394 I CB -0.095 37.776 38.000 -0.214 0.000 1.086 394 I HN 0.434 nan 8.210 nan 0.000 0.483 395 S N -0.709 114.741 115.700 -0.416 0.000 2.539 395 S HA 0.107 4.576 4.470 -0.001 0.000 0.221 395 S C 1.120 175.647 174.600 -0.122 0.000 0.987 395 S CA -0.331 57.759 58.200 -0.184 0.000 0.929 395 S CB 0.059 63.187 63.200 -0.119 0.000 0.832 395 S HN 0.500 nan 8.310 nan 0.000 0.492 396 N N 0.406 118.982 118.700 -0.206 0.000 2.232 396 N HA 0.221 4.960 4.740 -0.001 0.000 0.240 396 N C -1.227 174.341 175.510 0.097 0.000 1.307 396 N CA -0.133 52.896 53.050 -0.034 0.000 0.859 396 N CB 0.387 38.856 38.487 -0.030 0.000 1.260 396 N HN 0.084 nan 8.380 nan 0.000 0.501 397 F N 3.497 123.502 119.950 0.092 0.000 2.590 397 F HA 0.160 4.686 4.527 -0.001 0.000 0.389 397 F C -1.445 174.415 175.800 0.101 0.000 1.049 397 F CA -1.791 56.256 58.000 0.078 0.000 1.199 397 F CB -0.251 38.775 39.000 0.043 0.000 1.058 397 F HN 0.057 nan 8.300 nan 0.000 0.556 398 P HA -0.108 nan 4.420 nan 0.000 0.265 398 P C -0.393 176.767 177.300 -0.234 0.000 1.167 398 P CA 0.258 63.377 63.100 0.033 0.000 0.760 398 P CB 0.467 32.142 31.700 -0.041 0.000 0.783 399 V N 4.152 123.633 119.914 -0.721 0.000 2.394 399 V HA 0.100 4.220 4.120 -0.001 0.000 0.282 399 V C 1.533 177.352 176.094 -0.458 0.000 1.031 399 V CA -0.132 61.896 62.300 -0.453 0.000 0.881 399 V CB 1.567 33.152 31.823 -0.397 0.000 0.982 399 V HN 0.538 nan 8.190 nan 0.000 0.451 400 V N 2.170 121.957 119.914 -0.211 0.000 3.565 400 V HA 0.714 4.834 4.120 -0.001 0.000 0.260 400 V C 0.613 176.653 176.094 -0.089 0.000 1.231 400 V CA 1.056 63.263 62.300 -0.155 0.000 1.100 400 V CB 0.223 31.983 31.823 -0.104 0.000 0.807 400 V HN 0.975 nan 8.190 nan 0.000 0.454 401 G N -0.811 107.943 108.800 -0.077 0.000 2.616 401 G HA2 0.711 4.670 3.960 -0.001 0.000 0.294 401 G HA3 0.711 4.670 3.960 -0.001 0.000 0.294 401 G C -1.422 173.482 174.900 0.007 0.000 1.489 401 G CA -0.164 44.885 45.100 -0.085 0.000 0.836 401 G HN 1.109 nan 8.290 nan 0.000 0.527 402 A N 0.837 123.759 122.820 0.169 0.000 2.385 402 A HA 0.824 5.144 4.320 -0.001 0.000 0.290 402 A C -0.417 177.392 177.584 0.375 0.000 1.094 402 A CA -0.436 51.798 52.037 0.330 0.000 0.729 402 A CB 1.587 20.850 19.000 0.438 0.000 1.194 402 A HN 0.653 nan 8.150 nan 0.000 0.442 403 E N 0.925 121.335 120.200 0.350 0.000 2.254 403 E HA 0.568 4.918 4.350 -0.001 0.000 0.261 403 E C -0.902 175.812 176.600 0.189 0.000 1.051 403 E CA -0.750 55.852 56.400 0.337 0.000 0.902 403 E CB 1.275 31.225 29.700 0.416 0.000 1.168 403 E HN 0.601 nan 8.360 nan 0.000 0.423 404 L N 2.861 124.172 121.223 0.147 0.000 2.305 404 L HA 0.270 4.610 4.340 -0.001 0.000 0.281 404 L C -0.863 176.052 176.870 0.074 0.000 1.085 404 L CA -0.223 54.666 54.840 0.081 0.000 0.813 404 L CB 0.955 43.052 42.059 0.062 0.000 1.157 404 L HN 0.514 nan 8.230 nan 0.000 0.436 405 L N 8.530 129.770 121.223 0.029 0.000 2.660 405 L HA 0.217 4.556 4.340 -0.001 0.000 0.272 405 L C -1.872 175.026 176.870 0.047 0.000 1.194 405 L CA -0.421 54.435 54.840 0.027 0.000 0.945 405 L CB 0.015 42.062 42.059 -0.020 0.000 1.212 405 L HN 0.544 nan 8.230 nan 0.000 0.490 406 P HA 0.114 nan 4.420 nan 0.000 0.244 406 P C -1.465 175.898 177.300 0.106 0.000 1.769 406 P CA 0.038 63.200 63.100 0.103 0.000 1.102 406 P CB -0.120 31.674 31.700 0.156 0.000 1.937 407 V N 1.650 121.617 119.914 0.089 0.000 2.711 407 V HA 0.550 4.669 4.120 -0.001 0.000 0.304 407 V C -0.434 175.742 176.094 0.136 0.000 1.097 407 V CA -0.793 61.567 62.300 0.100 0.000 0.906 407 V CB 1.927 33.761 31.823 0.018 0.000 1.015 407 V HN 0.575 nan 8.190 nan 0.000 0.427 408 H N 1.901 120.947 119.070 -0.040 0.000 2.864 408 H HA 0.782 5.337 4.556 -0.001 0.000 0.354 408 H C -0.335 174.942 175.328 -0.084 0.000 1.208 408 H CA -0.498 55.515 56.048 -0.058 0.000 1.191 408 H CB 1.751 31.484 29.762 -0.049 0.000 1.889 408 H HN 0.853 nan 8.280 nan 0.000 0.574 409 S N 0.865 116.335 115.700 -0.384 0.000 2.465 409 S HA 0.333 4.802 4.470 -0.001 0.000 0.279 409 S C -0.114 174.129 174.600 -0.595 0.000 1.201 409 S CA -0.833 57.121 58.200 -0.409 0.000 1.053 409 S CB 0.531 63.598 63.200 -0.223 0.000 0.953 409 S HN 0.572 nan 8.310 nan 0.000 0.488 410 K N 3.160 123.211 120.400 -0.581 0.000 2.316 410 K HA 0.386 4.705 4.320 -0.001 0.000 0.267 410 K C -0.190 176.035 176.600 -0.624 0.000 1.025 410 K CA -0.315 55.630 56.287 -0.570 0.000 0.896 410 K CB 1.083 33.272 32.500 -0.518 0.000 1.124 410 K HN 0.800 nan 8.250 nan 0.000 0.451 411 S N 3.027 118.398 115.700 -0.548 0.000 2.586 411 S HA 0.620 5.089 4.470 -0.001 0.000 0.274 411 S C -0.352 173.897 174.600 -0.585 0.000 1.281 411 S CA -0.597 57.361 58.200 -0.403 0.000 1.035 411 S CB 0.449 63.519 63.200 -0.215 0.000 0.962 411 S HN 0.363 nan 8.310 nan 0.000 0.512 412 F N -0.082 119.868 119.950 0.000 0.000 2.640 412 F HA 0.557 5.083 4.527 -0.001 0.000 0.324 412 F C -0.604 175.274 175.800 0.130 0.000 1.077 412 F CA -1.215 56.809 58.000 0.039 0.000 0.965 412 F CB 1.284 40.294 39.000 0.017 0.000 1.351 412 F HN 0.611 nan 8.300 nan 0.000 0.487 413 Y N 1.155 121.571 120.300 0.194 0.000 2.446 413 Y HA 0.540 5.090 4.550 -0.001 0.000 0.338 413 Y C -0.843 175.086 175.900 0.048 0.000 1.055 413 Y CA -1.028 57.120 58.100 0.080 0.000 1.101 413 Y CB 1.698 40.180 38.460 0.037 0.000 1.221 413 Y HN 0.568 nan 8.280 nan 0.000 0.460 414 N N 2.783 121.428 118.700 -0.092 0.000 2.697 414 N HA 0.130 4.869 4.740 -0.001 0.000 0.271 414 N C -0.949 174.358 175.510 -0.339 0.000 1.149 414 N CA -0.258 52.707 53.050 -0.142 0.000 0.939 414 N CB 0.967 39.397 38.487 -0.095 0.000 1.534 414 N HN 0.649 nan 8.380 nan 0.000 0.556 415 D N 1.350 121.595 120.400 -0.259 0.000 2.349 415 D HA 0.035 4.674 4.640 -0.001 0.000 0.215 415 D C 0.514 176.573 176.300 -0.401 0.000 1.016 415 D CA 0.578 54.391 54.000 -0.313 0.000 0.870 415 D CB 0.504 41.197 40.800 -0.177 0.000 0.917 415 D HN 0.617 nan 8.370 nan 0.000 0.524 416 Q N -0.269 119.328 119.800 -0.338 0.000 2.491 416 Q HA 0.052 4.392 4.340 -0.001 0.000 0.214 416 Q C 1.592 177.454 176.000 -0.230 0.000 0.970 416 Q CA 0.001 55.590 55.803 -0.358 0.000 0.960 416 Q CB 0.256 28.933 28.738 -0.103 0.000 0.996 416 Q HN 0.186 nan 8.270 nan 0.000 0.524 417 A N -0.296 122.380 122.820 -0.241 0.000 2.015 417 A HA -0.092 4.228 4.320 -0.001 0.000 0.219 417 A C 2.095 179.586 177.584 -0.155 0.000 1.163 417 A CA 0.783 52.717 52.037 -0.173 0.000 0.646 417 A CB -0.113 18.769 19.000 -0.196 0.000 0.806 417 A HN 0.242 nan 8.150 nan 0.000 0.448 418 V N -1.128 118.635 119.914 -0.252 0.000 2.307 418 V HA -0.246 3.873 4.120 -0.001 0.000 0.245 418 V C 1.748 177.833 176.094 -0.015 0.000 1.045 418 V CA 1.523 63.713 62.300 -0.183 0.000 1.024 418 V CB -1.040 30.597 31.823 -0.310 0.000 0.651 418 V HN 0.767 nan 8.190 nan 0.000 0.449 419 Y N 0.432 120.734 120.300 0.002 0.000 2.596 419 Y HA 0.145 4.694 4.550 -0.001 0.000 0.316 419 Y C 2.293 178.206 175.900 0.022 0.000 1.156 419 Y CA 0.007 58.119 58.100 0.019 0.000 1.300 419 Y CB -0.492 37.983 38.460 0.024 0.000 1.130 419 Y HN 0.312 nan 8.280 nan 0.000 0.518 420 S N -0.452 115.296 115.700 0.081 0.000 2.399 420 S HA -0.247 4.222 4.470 -0.001 0.000 0.231 420 S C 1.640 176.297 174.600 0.096 0.000 1.022 420 S CA 0.965 59.202 58.200 0.062 0.000 0.983 420 S CB -0.194 63.012 63.200 0.010 0.000 0.803 420 S HN 0.581 nan 8.310 nan 0.000 0.480 421 Q N 0.925 120.788 119.800 0.106 0.000 2.050 421 Q HA 0.049 4.388 4.340 -0.001 0.000 0.202 421 Q C 1.885 177.963 176.000 0.129 0.000 0.980 421 Q CA 1.410 57.278 55.803 0.109 0.000 0.840 421 Q CB -0.473 28.324 28.738 0.097 0.000 0.898 421 Q HN 0.567 nan 8.270 nan 0.000 0.424 422 L N 0.563 121.881 121.223 0.159 0.000 2.650 422 L HA -0.010 4.330 4.340 -0.001 0.000 0.235 422 L C 1.773 178.746 176.870 0.171 0.000 1.149 422 L CA -0.070 54.865 54.840 0.159 0.000 0.887 422 L CB -0.134 42.008 42.059 0.138 0.000 1.021 422 L HN 0.234 nan 8.230 nan 0.000 0.441 423 I N -0.592 120.069 120.570 0.153 0.000 2.188 423 I HA -0.185 3.984 4.170 -0.001 0.000 0.237 423 I C 2.575 178.784 176.117 0.154 0.000 1.073 423 I CA 0.883 62.266 61.300 0.138 0.000 1.359 423 I CB -0.187 37.879 38.000 0.110 0.000 1.083 423 I HN 0.253 nan 8.210 nan 0.000 0.412 424 R N 0.770 121.363 120.500 0.155 0.000 2.096 424 R HA -0.188 4.151 4.340 -0.001 0.000 0.235 424 R C 2.120 178.503 176.300 0.140 0.000 1.127 424 R CA 1.336 57.532 56.100 0.161 0.000 0.968 424 R CB -0.696 29.723 30.300 0.198 0.000 0.861 424 R HN 0.560 nan 8.270 nan 0.000 0.440 425 Q N -0.948 118.937 119.800 0.142 0.000 2.170 425 Q HA -0.074 4.266 4.340 -0.001 0.000 0.203 425 Q C 1.314 177.342 176.000 0.046 0.000 0.976 425 Q CA 1.228 57.083 55.803 0.086 0.000 0.858 425 Q CB 0.071 28.852 28.738 0.073 0.000 0.907 425 Q HN 0.324 nan 8.270 nan 0.000 0.433 426 F N -1.124 118.844 119.950 0.031 0.000 2.682 426 F HA 0.078 4.605 4.527 -0.001 0.000 0.308 426 F C 1.848 177.658 175.800 0.017 0.000 1.093 426 F CA -0.230 57.780 58.000 0.017 0.000 1.244 426 F CB 0.790 39.801 39.000 0.017 0.000 1.052 426 F HN -0.037 nan 8.300 nan 0.000 0.573 427 T N -1.120 113.567 114.554 0.221 0.000 2.614 427 T HA -0.169 4.180 4.350 -0.001 0.000 0.263 427 T C 1.625 176.387 174.700 0.105 0.000 1.055 427 T CA 2.004 64.189 62.100 0.141 0.000 1.162 427 T CB -0.147 68.796 68.868 0.124 0.000 0.863 427 T HN 0.154 nan 8.240 nan 0.000 0.414 428 S N -1.644 114.090 115.700 0.057 0.000 2.506 428 S HA 0.205 4.674 4.470 -0.001 0.000 0.255 428 S C 0.113 174.669 174.600 -0.073 0.000 0.976 428 S CA -0.239 57.961 58.200 0.001 0.000 1.493 428 S CB -0.140 63.051 63.200 -0.014 0.000 1.241 428 S HN 0.275 nan 8.310 nan 0.000 0.655 429 L N 2.367 123.531 121.223 -0.097 0.000 3.858 429 L HA -0.208 4.131 4.340 -0.001 0.000 0.425 429 L C 1.162 177.740 176.870 -0.486 0.000 1.177 429 L CA 1.768 56.454 54.840 -0.257 0.000 0.943 429 L CB -2.107 39.822 42.059 -0.216 0.000 1.861 429 L HN 0.625 nan 8.230 nan 0.000 0.985 430 T N -4.995 109.373 114.554 -0.310 0.000 2.937 430 T HA 0.019 4.368 4.350 -0.001 0.000 0.260 430 T C 0.986 175.569 174.700 -0.194 0.000 1.051 430 T CA 0.598 62.543 62.100 -0.257 0.000 1.141 430 T CB -0.270 68.489 68.868 -0.183 0.000 0.879 430 T HN 0.568 nan 8.240 nan 0.000 0.459 431 H N -0.087 118.920 119.070 -0.105 0.000 2.741 431 H HA -0.110 4.445 4.556 -0.001 0.000 0.305 431 H C 1.256 176.466 175.328 -0.197 0.000 1.169 431 H CA 0.512 56.496 56.048 -0.106 0.000 1.144 431 H CB -2.402 27.315 29.762 -0.075 0.000 1.397 431 H HN 0.333 nan 8.280 nan 0.000 0.409 432 V N -0.575 119.189 119.914 -0.251 0.000 2.427 432 V HA -0.184 3.935 4.120 -0.001 0.000 0.248 432 V C 1.812 177.654 176.094 -0.420 0.000 1.051 432 V CA 2.106 64.148 62.300 -0.429 0.000 1.048 432 V CB -0.421 30.985 31.823 -0.694 0.000 0.666 432 V HN 0.341 nan 8.190 nan 0.000 0.456 433 F N 0.682 120.634 119.950 0.003 0.000 2.873 433 F HA 0.361 4.887 4.527 -0.001 0.000 0.289 433 F C 0.796 176.580 175.800 -0.026 0.000 1.206 433 F CA -0.006 57.989 58.000 -0.008 0.000 1.401 433 F CB -0.198 38.807 39.000 0.008 0.000 0.996 433 F HN 0.170 nan 8.300 nan 0.000 0.511 434 N N 0.428 119.125 118.700 -0.004 0.000 2.971 434 N HA 0.019 4.758 4.740 -0.001 0.000 0.193 434 N C 0.756 176.140 175.510 -0.210 0.000 1.259 434 N CA -0.010 53.004 53.050 -0.060 0.000 1.656 434 N CB 0.078 38.566 38.487 0.002 0.000 1.566 434 N HN -0.100 nan 8.380 nan 0.000 0.631 435 R N -0.302 119.918 120.500 -0.467 0.000 2.280 435 R HA 0.183 4.522 4.340 -0.001 0.000 0.207 435 R C -0.217 175.649 176.300 -0.725 0.000 1.043 435 R CA 0.831 56.508 56.100 -0.704 0.000 1.006 435 R CB -0.078 29.616 30.300 -1.010 0.000 0.885 435 R HN 0.330 nan 8.270 nan 0.000 0.467 436 F N 0.314 120.267 119.950 0.007 0.000 2.597 436 F HA 0.296 4.822 4.527 -0.001 0.000 0.336 436 F C -1.535 174.265 175.800 0.001 0.000 1.432 436 F CA -1.892 56.112 58.000 0.008 0.000 1.120 436 F CB 1.265 40.273 39.000 0.014 0.000 1.253 436 F HN -0.142 nan 8.300 nan 0.000 0.546 437 P HA -0.197 nan 4.420 nan 0.000 0.222 437 P C 1.325 178.654 177.300 0.049 0.000 1.147 437 P CA 1.466 64.564 63.100 -0.003 0.000 0.790 437 P CB 0.258 31.871 31.700 -0.146 0.000 0.780 438 E N -0.141 120.106 120.200 0.079 0.000 2.076 438 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 438 E C 0.891 177.574 176.600 0.139 0.000 0.979 438 E CA 0.480 56.934 56.400 0.090 0.000 0.807 438 E CB -1.449 28.300 29.700 0.083 0.000 0.761 438 E HN 0.206 nan 8.360 nan 0.000 0.454 439 N N 1.688 120.499 118.700 0.185 0.000 2.452 439 N HA -0.061 4.678 4.740 -0.001 0.000 0.266 439 N C 0.256 175.886 175.510 0.201 0.000 1.175 439 N CA 0.061 53.254 53.050 0.239 0.000 0.945 439 N CB 0.770 39.379 38.487 0.203 0.000 1.063 439 N HN 0.078 nan 8.380 nan 0.000 0.472 440 Q N 3.366 123.313 119.800 0.245 0.000 2.373 440 Q HA 0.086 4.425 4.340 -0.001 0.000 0.206 440 Q C 0.587 176.723 176.000 0.228 0.000 0.942 440 Q CA 0.167 56.103 55.803 0.221 0.000 0.953 440 Q CB 0.282 29.151 28.738 0.219 0.000 1.022 440 Q HN 0.700 nan 8.270 nan 0.000 0.502 441 I N -1.780 118.804 120.570 0.023 0.000 3.534 441 I HA -0.096 4.073 4.170 -0.001 0.000 0.251 441 I C 1.021 177.066 176.117 -0.120 0.000 1.136 441 I CA 0.198 61.419 61.300 -0.131 0.000 1.475 441 I CB 0.128 37.782 38.000 -0.578 0.000 1.526 441 I HN 0.008 nan 8.210 nan 0.000 0.454 442 L N 1.526 122.675 121.223 -0.124 0.000 2.622 442 L HA 0.233 4.572 4.340 -0.001 0.000 0.233 442 L C 1.298 178.301 176.870 0.221 0.000 1.156 442 L CA 0.049 54.894 54.840 0.008 0.000 0.866 442 L CB -1.902 40.096 42.059 -0.101 0.000 0.980 442 L HN 0.154 nan 8.230 nan 0.000 0.448 443 A N 0.468 123.384 122.820 0.161 0.000 2.504 443 A HA 0.096 4.415 4.320 -0.001 0.000 0.242 443 A C 0.601 178.259 177.584 0.124 0.000 1.100 443 A CA -0.306 51.823 52.037 0.153 0.000 0.786 443 A CB -0.121 18.955 19.000 0.127 0.000 1.050 443 A HN 0.532 nan 8.150 nan 0.000 0.512 444 R N 1.033 121.587 120.500 0.090 0.000 2.488 444 R HA 0.231 4.571 4.340 -0.001 0.000 0.317 444 R C -2.522 173.822 176.300 0.073 0.000 0.941 444 R CA -0.753 55.395 56.100 0.081 0.000 1.076 444 R CB -0.674 29.667 30.300 0.069 0.000 0.917 444 R HN 0.441 nan 8.270 nan 0.000 0.407 445 P HA 0.113 nan 4.420 nan 0.000 0.271 445 P C -2.307 175.005 177.300 0.020 0.000 1.218 445 P CA -1.310 61.819 63.100 0.049 0.000 0.780 445 P CB 0.289 32.014 31.700 0.043 0.000 0.901 446 P HA 0.170 nan 4.420 nan 0.000 0.272 446 P C -0.574 176.694 177.300 -0.054 0.000 1.240 446 P CA -0.175 62.908 63.100 -0.028 0.000 0.791 446 P CB 0.459 32.131 31.700 -0.045 0.000 0.978 447 A N 2.002 124.780 122.820 -0.070 0.000 2.295 447 A HA 0.671 4.991 4.320 -0.001 0.000 0.318 447 A C -2.220 175.287 177.584 -0.128 0.000 1.134 447 A CA -1.639 50.345 52.037 -0.088 0.000 0.827 447 A CB -0.343 18.611 19.000 -0.078 0.000 1.136 447 A HN 0.411 nan 8.150 nan 0.000 0.493 448 P HA 0.209 nan 4.420 nan 0.000 0.278 448 P C 0.787 178.003 177.300 -0.141 0.000 1.258 448 P CA -0.064 62.960 63.100 -0.126 0.000 0.811 448 P CB 0.710 32.396 31.700 -0.023 0.000 1.063 449 T N -1.592 112.863 114.554 -0.167 0.000 2.867 449 T HA -0.030 4.320 4.350 -0.001 0.000 0.268 449 T C 1.001 175.480 174.700 -0.369 0.000 1.057 449 T CA 0.895 62.744 62.100 -0.418 0.000 1.136 449 T CB -0.837 67.743 68.868 -0.479 0.000 0.874 449 T HN 0.430 nan 8.240 nan 0.000 0.466 450 I N 1.204 121.756 120.570 -0.030 0.000 2.390 450 I HA 0.498 4.668 4.170 -0.001 0.000 0.283 450 I C -0.779 175.374 176.117 0.061 0.000 1.016 450 I CA -0.946 60.411 61.300 0.094 0.000 1.151 450 I CB 1.456 39.525 38.000 0.114 0.000 1.293 450 I HN -0.231 nan 8.210 nan 0.000 0.458 451 T N 4.012 118.619 114.554 0.087 0.000 2.799 451 T HA 0.576 4.926 4.350 -0.001 0.000 0.286 451 T C 0.396 175.158 174.700 0.103 0.000 0.973 451 T CA -0.593 61.553 62.100 0.076 0.000 1.035 451 T CB 1.099 70.013 68.868 0.076 0.000 0.932 451 T HN 0.752 nan 8.240 nan 0.000 0.469 452 T N -0.062 114.504 114.554 0.020 0.000 2.859 452 T HA 0.714 5.064 4.350 -0.001 0.000 0.281 452 T C -0.443 174.229 174.700 -0.047 0.000 1.005 452 T CA -0.783 61.290 62.100 -0.044 0.000 1.025 452 T CB 1.276 70.085 68.868 -0.098 0.000 0.977 452 T HN 0.333 nan 8.240 nan 0.000 0.458 453 V N 2.967 122.829 119.914 -0.086 0.000 2.531 453 V HA 0.462 4.581 4.120 -0.001 0.000 0.301 453 V C 0.353 176.285 176.094 -0.270 0.000 1.034 453 V CA -1.009 61.197 62.300 -0.157 0.000 0.865 453 V CB 2.246 34.027 31.823 -0.070 0.000 0.995 453 V HN 1.190 nan 8.190 nan 0.000 0.424 454 S N 3.512 119.008 115.700 -0.340 0.000 2.519 454 S HA 0.151 4.620 4.470 -0.001 0.000 0.320 454 S C -0.100 174.309 174.600 -0.318 0.000 1.179 454 S CA -0.170 57.849 58.200 -0.302 0.000 1.173 454 S CB -0.111 62.949 63.200 -0.233 0.000 1.224 454 S HN 0.826 nan 8.310 nan 0.000 0.542 455 E N 3.741 123.810 120.200 -0.218 0.000 2.146 455 E HA 0.134 4.484 4.350 -0.001 0.000 0.282 455 E C -0.405 176.236 176.600 0.069 0.000 0.989 455 E CA -0.683 55.668 56.400 -0.081 0.000 0.799 455 E CB 0.497 30.170 29.700 -0.044 0.000 1.088 455 E HN 0.642 nan 8.360 nan 0.000 0.397 456 N N 2.672 121.435 118.700 0.105 0.000 2.492 456 N HA 0.135 4.875 4.740 -0.001 0.000 0.260 456 N C -1.007 174.657 175.510 0.256 0.000 1.215 456 N CA 0.146 53.311 53.050 0.192 0.000 0.923 456 N CB 1.679 40.294 38.487 0.214 0.000 1.092 456 N HN 0.244 nan 8.380 nan 0.000 0.448 457 V N 3.547 123.613 119.914 0.252 0.000 2.971 457 V HA 0.370 4.489 4.120 -0.001 0.000 0.309 457 V C -2.358 173.820 176.094 0.140 0.000 1.130 457 V CA -1.887 60.487 62.300 0.122 0.000 0.964 457 V CB 2.700 34.526 31.823 0.005 0.000 1.029 457 V HN 0.539 nan 8.190 nan 0.000 0.427 458 P HA 0.252 nan 4.420 nan 0.000 0.267 458 P C -0.988 176.337 177.300 0.041 0.000 1.209 458 P CA 0.102 63.179 63.100 -0.039 0.000 0.763 458 P CB 0.901 32.500 31.700 -0.169 0.000 0.816 459 A N 4.762 127.653 122.820 0.119 0.000 2.288 459 A HA 0.587 4.906 4.320 -0.001 0.000 0.320 459 A C -0.400 177.249 177.584 0.107 0.000 1.217 459 A CA -0.521 51.579 52.037 0.106 0.000 0.840 459 A CB 0.229 19.320 19.000 0.152 0.000 1.179 459 A HN 0.450 nan 8.150 nan 0.000 0.504 460 L N 1.180 122.436 121.223 0.055 0.000 2.481 460 L HA 0.605 4.944 4.340 -0.001 0.000 0.255 460 L C -0.408 176.457 176.870 -0.007 0.000 1.192 460 L CA -0.550 54.306 54.840 0.028 0.000 0.924 460 L CB 0.119 42.184 42.059 0.009 0.000 1.179 460 L HN 0.328 nan 8.230 nan 0.000 0.491 461 T N -1.080 113.462 114.554 -0.020 0.000 2.876 461 T HA 0.380 4.729 4.350 -0.001 0.000 0.289 461 T C -0.917 173.641 174.700 -0.236 0.000 1.014 461 T CA -0.515 61.527 62.100 -0.096 0.000 0.986 461 T CB 2.481 71.312 68.868 -0.062 0.000 1.021 461 T HN 0.437 nan 8.240 nan 0.000 0.458 462 D N 0.620 120.873 120.400 -0.245 0.000 2.336 462 D HA 0.095 4.735 4.640 -0.001 0.000 0.249 462 D C 0.307 176.341 176.300 -0.444 0.000 1.213 462 D CA 0.027 53.867 54.000 -0.267 0.000 0.870 462 D CB 0.614 41.324 40.800 -0.151 0.000 1.076 462 D HN 0.606 nan 8.370 nan 0.000 0.483 463 H N 2.087 121.109 119.070 -0.080 0.000 2.551 463 H HA 0.195 4.751 4.556 -0.001 0.000 0.266 463 H C 1.333 176.634 175.328 -0.045 0.000 0.977 463 H CA 0.861 56.873 56.048 -0.061 0.000 1.163 463 H CB 0.491 30.191 29.762 -0.104 0.000 1.381 463 H HN 0.743 nan 8.280 nan 0.000 0.581 464 G N -0.297 108.450 108.800 -0.087 0.000 2.548 464 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.208 464 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.208 464 G C -0.534 174.354 174.900 -0.019 0.000 1.308 464 G CA -0.420 44.655 45.100 -0.042 0.000 0.924 464 G HN 0.239 nan 8.290 nan 0.000 0.540 465 T N 0.876 115.426 114.554 -0.008 0.000 2.756 465 T HA 0.658 5.007 4.350 -0.001 0.000 0.290 465 T C 0.251 174.956 174.700 0.009 0.000 0.985 465 T CA -0.300 61.801 62.100 0.002 0.000 0.955 465 T CB 1.293 70.167 68.868 0.009 0.000 0.930 465 T HN 0.631 nan 8.240 nan 0.000 0.451 466 L N 4.679 125.907 121.223 0.008 0.000 2.330 466 L HA 0.551 4.891 4.340 -0.001 0.000 0.271 466 L C -2.072 174.812 176.870 0.024 0.000 1.013 466 L CA -2.764 52.079 54.840 0.005 0.000 0.816 466 L CB 1.603 43.655 42.059 -0.012 0.000 1.287 466 L HN 0.352 nan 8.230 nan 0.000 0.435 467 P HA 0.109 nan 4.420 nan 0.000 0.271 467 P C -1.188 176.149 177.300 0.062 0.000 1.218 467 P CA -0.266 62.870 63.100 0.060 0.000 0.780 467 P CB 1.223 32.947 31.700 0.040 0.000 0.901 468 L N 2.530 123.820 121.223 0.113 0.000 2.385 468 L HA 0.446 4.785 4.340 -0.001 0.000 0.273 468 L C 0.221 177.151 176.870 0.100 0.000 0.990 468 L CA -1.098 53.789 54.840 0.079 0.000 0.821 468 L CB 1.469 43.573 42.059 0.076 0.000 1.279 468 L HN 0.337 nan 8.230 nan 0.000 0.412 469 R N 2.282 122.810 120.500 0.045 0.000 2.543 469 R HA 0.160 4.499 4.340 -0.001 0.000 0.277 469 R C 0.057 176.365 176.300 0.012 0.000 1.074 469 R CA -0.079 56.047 56.100 0.044 0.000 1.076 469 R CB 0.632 30.941 30.300 0.015 0.000 0.993 469 R HN 0.744 nan 8.270 nan 0.000 0.459 470 N N 0.335 119.051 118.700 0.026 0.000 2.314 470 N HA 0.005 4.744 4.740 -0.001 0.000 0.200 470 N C -1.153 174.337 175.510 -0.032 0.000 1.135 470 N CA -0.146 52.904 53.050 0.000 0.000 0.835 470 N CB 0.897 39.431 38.487 0.078 0.000 0.989 470 N HN 0.403 nan 8.380 nan 0.000 0.478 471 S N -0.058 115.623 115.700 -0.031 0.000 2.571 471 S HA 0.444 4.913 4.470 -0.001 0.000 0.238 471 S C -0.702 173.875 174.600 -0.039 0.000 1.153 471 S CA -0.806 57.374 58.200 -0.033 0.000 1.141 471 S CB 0.049 63.239 63.200 -0.018 0.000 1.133 471 S HN 0.088 nan 8.310 nan 0.000 0.464 472 I N 2.815 123.354 120.570 -0.052 0.000 2.307 472 I HA 0.472 4.642 4.170 -0.001 0.000 0.289 472 I C 1.117 177.208 176.117 -0.043 0.000 1.021 472 I CA -0.594 60.672 61.300 -0.056 0.000 1.224 472 I CB 1.171 39.123 38.000 -0.080 0.000 1.376 472 I HN 0.810 nan 8.210 nan 0.000 0.470 473 G N 3.677 112.453 108.800 -0.040 0.000 2.484 473 G HA2 0.197 4.157 3.960 -0.001 0.000 0.235 473 G HA3 0.197 4.157 3.960 -0.001 0.000 0.235 473 G C 0.989 175.870 174.900 -0.031 0.000 1.282 473 G CA -0.323 44.758 45.100 -0.032 0.000 0.857 473 G HN 0.892 nan 8.290 nan 0.000 0.571 474 G N -0.671 108.116 108.800 -0.021 0.000 3.234 474 G HA2 0.313 4.273 3.960 -0.001 0.000 0.221 474 G HA3 0.313 4.273 3.960 -0.001 0.000 0.221 474 G C 0.361 175.254 174.900 -0.012 0.000 1.229 474 G CA 0.717 45.806 45.100 -0.017 0.000 0.909 474 G HN 1.363 nan 8.290 nan 0.000 0.510 475 V N -2.924 116.979 119.914 -0.018 0.000 2.666 475 V HA 0.350 4.469 4.120 -0.001 0.000 0.269 475 V C -0.660 175.414 176.094 -0.034 0.000 0.926 475 V CA -1.265 61.028 62.300 -0.012 0.000 1.035 475 V CB 0.326 32.146 31.823 -0.005 0.000 1.099 475 V HN -0.007 nan 8.190 nan 0.000 0.519 476 Q N 1.916 121.689 119.800 -0.046 0.000 2.354 476 Q HA 0.507 4.846 4.340 -0.001 0.000 0.244 476 Q C -0.198 175.731 176.000 -0.120 0.000 0.969 476 Q CA -0.083 55.669 55.803 -0.086 0.000 0.885 476 Q CB 2.329 31.014 28.738 -0.088 0.000 1.241 476 Q HN 0.769 nan 8.270 nan 0.000 0.461 477 R N 0.691 121.090 120.500 -0.168 0.000 2.338 477 R HA 0.490 4.829 4.340 -0.001 0.000 0.317 477 R C -1.268 174.869 176.300 -0.273 0.000 0.968 477 R CA -0.354 55.620 56.100 -0.209 0.000 0.849 477 R CB 0.932 31.106 30.300 -0.210 0.000 1.128 477 R HN 0.327 nan 8.270 nan 0.000 0.448 478 V N 3.634 123.302 119.914 -0.411 0.000 2.459 478 V HA 0.501 4.620 4.120 -0.001 0.000 0.295 478 V C -0.432 175.512 176.094 -0.251 0.000 1.029 478 V CA -0.504 61.549 62.300 -0.412 0.000 0.874 478 V CB 2.018 33.334 31.823 -0.846 0.000 0.985 478 V HN 0.835 nan 8.190 nan 0.000 0.438 479 T N 5.922 120.425 114.554 -0.085 0.000 3.031 479 T HA 0.455 4.804 4.350 -0.001 0.000 0.305 479 T C -0.640 174.018 174.700 -0.071 0.000 0.985 479 T CA -0.281 61.818 62.100 -0.001 0.000 1.008 479 T CB 0.786 69.743 68.868 0.149 0.000 1.005 479 T HN 0.377 nan 8.240 nan 0.000 0.444 480 I N 4.208 124.682 120.570 -0.161 0.000 2.282 480 I HA 0.270 4.440 4.170 -0.001 0.000 0.290 480 I C 1.295 177.357 176.117 -0.092 0.000 1.090 480 I CA -0.761 60.362 61.300 -0.295 0.000 1.231 480 I CB -0.628 37.110 38.000 -0.438 0.000 1.434 480 I HN 0.620 nan 8.210 nan 0.000 0.487 481 T N 2.392 116.943 114.554 -0.004 0.000 2.816 481 T HA 0.393 4.742 4.350 -0.001 0.000 0.282 481 T C 0.096 174.813 174.700 0.028 0.000 0.993 481 T CA -0.615 61.531 62.100 0.077 0.000 0.994 481 T CB 2.045 71.036 68.868 0.205 0.000 1.025 481 T HN 0.626 nan 8.240 nan 0.000 0.529 482 D N 0.033 120.456 120.400 0.037 0.000 2.595 482 D HA 0.357 4.996 4.640 -0.001 0.000 0.268 482 D C 1.294 177.459 176.300 -0.225 0.000 1.181 482 D CA -0.528 53.432 54.000 -0.067 0.000 1.085 482 D CB 1.090 41.960 40.800 0.117 0.000 1.186 482 D HN 0.657 nan 8.370 nan 0.000 0.621 483 A N -0.703 121.948 122.820 -0.282 0.000 2.248 483 A HA -0.060 4.259 4.320 -0.001 0.000 0.210 483 A C 1.458 179.016 177.584 -0.043 0.000 1.174 483 A CA 0.557 52.425 52.037 -0.282 0.000 0.750 483 A CB -0.465 18.393 19.000 -0.236 0.000 0.780 483 A HN 0.465 nan 8.150 nan 0.000 0.478 484 R N -1.442 119.078 120.500 0.033 0.000 2.662 484 R HA 0.271 4.610 4.340 -0.001 0.000 0.396 484 R C -0.175 176.206 176.300 0.136 0.000 1.096 484 R CA -0.450 55.715 56.100 0.107 0.000 1.081 484 R CB 0.136 30.519 30.300 0.137 0.000 1.382 484 R HN 0.380 nan 8.270 nan 0.000 0.580 485 R N 2.008 122.604 120.500 0.160 0.000 3.184 485 R HA -0.191 4.148 4.340 -0.001 0.000 0.242 485 R C -0.721 175.630 176.300 0.086 0.000 0.907 485 R CA 0.828 57.026 56.100 0.164 0.000 0.618 485 R CB -0.553 29.852 30.300 0.175 0.000 1.016 485 R HN 0.140 nan 8.270 nan 0.000 0.469 486 R N -0.506 120.045 120.500 0.084 0.000 2.803 486 R HA 0.276 4.615 4.340 -0.001 0.000 0.276 486 R C 0.211 176.494 176.300 -0.028 0.000 0.978 486 R CA -0.348 55.743 56.100 -0.016 0.000 0.939 486 R CB 1.380 31.619 30.300 -0.103 0.000 1.179 486 R HN 0.249 nan 8.270 nan 0.000 0.472 487 T N -1.981 112.518 114.554 -0.092 0.000 2.930 487 T HA 0.056 4.405 4.350 -0.001 0.000 0.306 487 T C 0.452 175.112 174.700 -0.067 0.000 1.045 487 T CA -0.509 61.557 62.100 -0.056 0.000 1.134 487 T CB 0.502 69.343 68.868 -0.046 0.000 0.961 487 T HN 0.590 nan 8.240 nan 0.000 0.545 488 C N 6.858 126.171 119.300 0.022 0.000 2.265 488 C HA 0.600 5.059 4.460 -0.001 0.000 0.332 488 C C -1.988 173.034 174.990 0.053 0.000 1.248 488 C CA -1.829 57.257 59.018 0.113 0.000 1.727 488 C CB -0.043 27.785 27.740 0.147 0.000 2.348 488 C HN 0.807 nan 8.230 nan 0.000 0.519 489 P HA 0.225 nan 4.420 nan 0.000 0.243 489 P C -0.537 176.491 177.300 -0.454 0.000 1.672 489 P CA 0.336 63.317 63.100 -0.198 0.000 1.000 489 P CB -0.414 31.134 31.700 -0.253 0.000 1.562 490 Y N -1.819 118.459 120.300 -0.036 0.000 2.500 490 Y HA 0.165 4.714 4.550 -0.001 0.000 0.246 490 Y C 0.856 176.725 175.900 -0.051 0.000 1.146 490 Y CA -0.222 57.845 58.100 -0.055 0.000 1.230 490 Y CB 0.775 39.231 38.460 -0.007 0.000 1.214 490 Y HN -0.295 nan 8.280 nan 0.000 0.526 491 V N 1.639 121.577 119.914 0.040 0.000 2.352 491 V HA -0.056 4.064 4.120 -0.001 0.000 0.253 491 V C 0.586 176.673 176.094 -0.011 0.000 1.083 491 V CA 0.455 62.779 62.300 0.040 0.000 0.993 491 V CB -0.412 31.442 31.823 0.051 0.000 1.111 491 V HN 0.475 nan 8.190 nan 0.000 0.490 492 Y N 3.004 123.178 120.300 -0.210 0.000 2.397 492 Y HA 0.133 4.683 4.550 -0.001 0.000 0.292 492 Y C 1.517 177.039 175.900 -0.629 0.000 1.115 492 Y CA 0.325 58.167 58.100 -0.429 0.000 1.208 492 Y CB 0.703 39.015 38.460 -0.248 0.000 1.046 492 Y HN 0.393 nan 8.280 nan 0.000 0.552 493 K N 0.744 121.088 120.400 -0.094 0.000 2.579 493 K HA 0.580 4.899 4.320 -0.001 0.000 0.250 493 K C -1.516 175.191 176.600 0.179 0.000 0.952 493 K CA -0.412 55.877 56.287 0.003 0.000 0.857 493 K CB 1.226 33.762 32.500 0.061 0.000 1.123 493 K HN 0.021 nan 8.250 nan 0.000 0.433 494 A N 3.912 126.898 122.820 0.277 0.000 2.355 494 A HA 0.894 5.213 4.320 -0.001 0.000 0.324 494 A C -1.606 176.285 177.584 0.512 0.000 1.117 494 A CA -0.635 51.688 52.037 0.476 0.000 0.785 494 A CB 0.936 20.248 19.000 0.519 0.000 1.254 494 A HN 0.614 nan 8.150 nan 0.000 0.453 495 L N 0.425 121.958 121.223 0.517 0.000 2.469 495 L HA 0.825 5.164 4.340 -0.001 0.000 0.256 495 L C -0.056 176.941 176.870 0.212 0.000 1.006 495 L CA 0.188 55.232 54.840 0.339 0.000 0.832 495 L CB 2.536 44.728 42.059 0.222 0.000 1.421 495 L HN 1.029 nan 8.230 nan 0.000 0.410 496 G N 2.707 111.603 108.800 0.160 0.000 2.741 496 G HA2 0.629 4.589 3.960 -0.001 0.000 0.293 496 G HA3 0.629 4.589 3.960 -0.001 0.000 0.293 496 G C -1.711 173.232 174.900 0.072 0.000 1.457 496 G CA -0.246 44.880 45.100 0.042 0.000 1.098 496 G HN 0.450 nan 8.290 nan 0.000 0.536 497 I N 2.625 123.199 120.570 0.007 0.000 2.382 497 I HA 0.348 4.517 4.170 -0.001 0.000 0.286 497 I C -0.451 175.608 176.117 -0.098 0.000 1.002 497 I CA -0.957 60.337 61.300 -0.010 0.000 1.135 497 I CB 2.073 40.104 38.000 0.051 0.000 1.288 497 I HN 0.121 nan 8.210 nan 0.000 0.448 498 V N 4.374 124.191 119.914 -0.161 0.000 2.513 498 V HA 0.450 4.570 4.120 -0.001 0.000 0.299 498 V C 0.013 176.000 176.094 -0.180 0.000 1.035 498 V CA -0.599 61.611 62.300 -0.151 0.000 0.889 498 V CB 1.695 33.435 31.823 -0.139 0.000 0.988 498 V HN 0.774 nan 8.190 nan 0.000 0.440 499 S N 5.049 120.677 115.700 -0.119 0.000 2.406 499 S HA 0.405 4.874 4.470 -0.001 0.000 0.224 499 S C -2.683 171.886 174.600 -0.051 0.000 1.426 499 S CA -1.189 56.953 58.200 -0.097 0.000 1.179 499 S CB 0.734 63.898 63.200 -0.061 0.000 1.042 499 S HN 0.626 nan 8.310 nan 0.000 0.479 500 P HA 0.300 nan 4.420 nan 0.000 0.271 500 P C -0.414 176.981 177.300 0.159 0.000 1.216 500 P CA -0.229 62.860 63.100 -0.019 0.000 0.776 500 P CB 0.504 32.060 31.700 -0.239 0.000 0.881 501 R N 0.420 121.167 120.500 0.412 0.000 2.663 501 R HA 0.576 4.916 4.340 -0.001 0.000 0.267 501 R C -0.599 175.910 176.300 0.348 0.000 1.038 501 R CA -1.188 55.181 56.100 0.448 0.000 0.886 501 R CB 0.396 30.806 30.300 0.183 0.000 1.249 501 R HN 0.145 nan 8.270 nan 0.000 0.463 502 V N 0.403 120.285 119.914 -0.053 0.000 3.051 502 V HA 0.225 4.344 4.120 -0.001 0.000 0.306 502 V C 0.180 176.166 176.094 -0.179 0.000 1.083 502 V CA -0.535 61.505 62.300 -0.432 0.000 1.104 502 V CB 0.712 32.160 31.823 -0.625 0.000 1.027 502 V HN 0.693 nan 8.190 nan 0.000 0.483 503 L N 1.071 122.179 121.223 -0.192 0.000 3.066 503 L HA 0.308 4.648 4.340 -0.001 0.000 0.272 503 L C 1.012 177.844 176.870 -0.063 0.000 1.101 503 L CA 1.414 56.210 54.840 -0.072 0.000 1.022 503 L CB 0.119 42.182 42.059 0.006 0.000 1.600 503 L HN 1.111 nan 8.230 nan 0.000 0.559 504 S N -2.918 112.729 115.700 -0.088 0.000 4.078 504 S HA 0.780 5.250 4.470 -0.001 0.000 0.290 504 S C -0.129 174.423 174.600 -0.080 0.000 1.069 504 S CA -0.088 58.082 58.200 -0.049 0.000 1.246 504 S CB 2.180 65.392 63.200 0.019 0.000 1.659 504 S HN -0.084 nan 8.310 nan 0.000 0.624 505 S N -0.624 115.058 115.700 -0.029 0.000 3.003 505 S HA 0.673 5.142 4.470 -0.001 0.000 0.313 505 S C -1.691 172.918 174.600 0.015 0.000 1.230 505 S CA -0.830 57.345 58.200 -0.042 0.000 0.977 505 S CB 1.019 64.193 63.200 -0.043 0.000 1.340 505 S HN 0.559 nan 8.310 nan 0.000 0.608 506 R N 1.376 121.878 120.500 0.004 0.000 2.396 506 R HA 0.737 5.076 4.340 -0.001 0.000 0.292 506 R C -0.083 176.231 176.300 0.024 0.000 1.240 506 R CA 0.604 56.724 56.100 0.033 0.000 1.270 506 R CB 0.664 30.975 30.300 0.019 0.000 1.108 506 R HN 0.953 nan 8.270 nan 0.000 0.573 507 T N 0.000 114.570 114.554 0.026 0.000 3.816 507 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 507 T CA 0.000 nan 62.100 nan 0.000 1.349 507 T CB 0.000 nan 68.868 nan 0.000 0.612 507 T HN 0.000 nan 8.240 nan 0.000 0.658