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 1ajs_1_A DATA FIRST_RESID 1 DATA SEQUENCE APPSVFAEVP QAQPVLVFKL IADFREDPDP RKVNLGVGAY RTDDCQPWVL DATA SEQUENCE PVVRKVEQRI ANNSSLNHEY LPILGLAEFR TCASRLALGD DSPALQEKRV DATA SEQUENCE GGVQSLGGTG ALRIGAEFLA RWYNGTNNKD TPVYVSSPTW ENHNGVFTTA DATA SEQUENCE GFKDIRSYRY WDTEKRGLDL QGFLSDLENA PEFSIFVLHA CAHNPTGTDP DATA SEQUENCE TPEQWKQIAS VMKRRFLFPF FDSAYQGFAS GNLEKDAWAI RYFVSEGFEL DATA SEQUENCE FCAQSFSKNF GLYNERVGNL TVVAKEPDSI LRVLSQMQKI VRVTWSNPPA DATA SEQUENCE QGARIVARTL SDPELFHEWT GNVKTMADRI LSMRSELRAR LEALKTPGTW DATA SEQUENCE NHITDQIGMF SFTGLNPKQV EYLINQKHIY LLPSGRINMC GLTTKNLDYV DATA SEQUENCE ATSIHEAVTK IQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.009 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 2 P HA 0.353 nan 4.420 nan 0.000 0.265 2 P C -2.304 174.982 177.300 -0.023 0.000 1.187 2 P CA -0.255 62.833 63.100 -0.021 0.000 0.766 2 P CB -0.237 31.447 31.700 -0.027 0.000 0.820 3 P HA 0.038 nan 4.420 nan 0.000 0.272 3 P C 0.030 177.302 177.300 -0.046 0.000 1.230 3 P CA -0.272 62.813 63.100 -0.025 0.000 0.788 3 P CB 0.524 32.211 31.700 -0.022 0.000 0.949 4 S N 0.191 115.870 115.700 -0.036 0.000 2.572 4 S HA 0.046 4.515 4.470 -0.002 0.000 0.279 4 S C 1.387 175.894 174.600 -0.155 0.000 1.341 4 S CA -0.401 57.758 58.200 -0.068 0.000 1.043 4 S CB 0.016 63.231 63.200 0.025 0.000 0.887 4 S HN 0.343 nan 8.310 nan 0.000 0.516 5 V N 2.828 122.526 119.914 -0.360 0.000 3.305 5 V HA 0.186 4.305 4.120 -0.002 0.000 0.269 5 V C 0.725 176.551 176.094 -0.447 0.000 1.157 5 V CA 1.037 63.070 62.300 -0.445 0.000 1.157 5 V CB -1.201 30.278 31.823 -0.574 0.000 0.772 5 V HN 0.782 nan 8.190 nan 0.000 0.498 6 F N 0.560 120.508 119.950 -0.002 0.000 2.639 6 F HA 0.714 5.240 4.527 -0.002 0.000 0.302 6 F C 2.191 177.989 175.800 -0.002 0.000 1.097 6 F CA -0.332 57.667 58.000 -0.002 0.000 1.294 6 F CB -0.510 38.489 39.000 -0.002 0.000 1.027 6 F HN 0.165 nan 8.300 nan 0.000 0.550 7 A N 0.320 123.200 122.820 0.099 0.000 1.940 7 A HA -0.172 4.148 4.320 -0.002 0.000 0.219 7 A C 1.930 179.551 177.584 0.061 0.000 1.176 7 A CA 1.698 53.776 52.037 0.068 0.000 0.631 7 A CB -0.402 18.612 19.000 0.024 0.000 0.814 7 A HN 0.424 nan 8.150 nan 0.000 0.446 8 E N -0.245 119.989 120.200 0.056 0.000 2.476 8 E HA 0.179 4.528 4.350 -0.002 0.000 0.196 8 E C -0.656 175.975 176.600 0.051 0.000 1.029 8 E CA -0.316 56.109 56.400 0.043 0.000 0.896 8 E CB 0.344 30.060 29.700 0.026 0.000 1.012 8 E HN 0.319 nan 8.360 nan 0.000 0.475 9 V N 4.721 124.682 119.914 0.079 0.000 2.479 9 V HA 0.072 4.191 4.120 -0.002 0.000 0.281 9 V C -1.491 174.628 176.094 0.040 0.000 1.031 9 V CA -1.094 61.247 62.300 0.069 0.000 1.038 9 V CB -0.014 31.866 31.823 0.096 0.000 0.981 9 V HN 0.145 nan 8.190 nan 0.000 0.478 10 P HA 0.242 nan 4.420 nan 0.000 0.276 10 P C -0.772 176.533 177.300 0.009 0.000 1.252 10 P CA -0.689 62.421 63.100 0.017 0.000 0.802 10 P CB 0.621 32.329 31.700 0.013 0.000 1.035 11 Q N 0.675 120.479 119.800 0.006 0.000 2.293 11 Q HA 0.471 4.810 4.340 -0.002 0.000 0.263 11 Q C -0.518 175.482 176.000 0.000 0.000 1.002 11 Q CA -0.189 55.615 55.803 0.001 0.000 0.910 11 Q CB 0.227 28.967 28.738 0.003 0.000 1.185 11 Q HN 0.576 nan 8.270 nan 0.000 0.401 12 A N 4.203 127.020 122.820 -0.004 0.000 2.304 12 A HA 0.349 4.668 4.320 -0.002 0.000 0.271 12 A C -0.548 177.035 177.584 -0.002 0.000 1.091 12 A CA -0.532 51.502 52.037 -0.005 0.000 0.812 12 A CB 0.428 19.421 19.000 -0.011 0.000 1.056 12 A HN 0.863 nan 8.150 nan 0.000 0.489 13 Q N 1.590 121.389 119.800 -0.002 0.000 2.352 13 Q HA 0.368 4.707 4.340 -0.002 0.000 0.260 13 Q C -1.973 174.030 176.000 0.004 0.000 0.976 13 Q CA -1.387 54.418 55.803 0.003 0.000 0.881 13 Q CB 0.070 28.809 28.738 0.002 0.000 1.235 13 Q HN 0.625 nan 8.270 nan 0.000 0.419 14 P HA 0.063 nan 4.420 nan 0.000 0.274 14 P C -0.774 176.545 177.300 0.032 0.000 1.246 14 P CA -0.383 62.731 63.100 0.024 0.000 0.795 14 P CB 0.674 32.397 31.700 0.038 0.000 1.006 15 V N 3.520 123.463 119.914 0.048 0.000 2.387 15 V HA -0.017 4.102 4.120 -0.002 0.000 0.260 15 V C 2.123 178.295 176.094 0.131 0.000 1.054 15 V CA 0.007 62.354 62.300 0.078 0.000 0.967 15 V CB 0.029 31.899 31.823 0.078 0.000 1.036 15 V HN 0.582 nan 8.190 nan 0.000 0.481 16 L N 4.639 125.913 121.223 0.085 0.000 1.997 16 L HA -0.189 4.150 4.340 -0.002 0.000 0.216 16 L C 2.417 179.342 176.870 0.092 0.000 1.074 16 L CA 2.114 57.001 54.840 0.079 0.000 0.763 16 L CB -0.077 42.010 42.059 0.046 0.000 0.890 16 L HN 0.589 nan 8.230 nan 0.000 0.434 17 V N -0.701 119.268 119.914 0.092 0.000 2.392 17 V HA -0.345 3.774 4.120 -0.002 0.000 0.249 17 V C 2.152 178.208 176.094 -0.063 0.000 1.059 17 V CA 2.056 64.365 62.300 0.014 0.000 1.051 17 V CB -0.377 31.450 31.823 0.006 0.000 0.658 17 V HN 0.344 nan 8.190 nan 0.000 0.455 18 F N 0.532 120.506 119.950 0.040 0.000 2.234 18 F HA 0.025 4.551 4.527 -0.002 0.000 0.296 18 F C 2.288 178.104 175.800 0.026 0.000 1.089 18 F CA 1.714 59.734 58.000 0.033 0.000 1.343 18 F CB -0.448 38.572 39.000 0.033 0.000 1.040 18 F HN 0.172 nan 8.300 nan 0.000 0.498 19 K N 1.246 121.759 120.400 0.190 0.000 2.032 19 K HA -0.178 4.141 4.320 -0.002 0.000 0.209 19 K C 1.742 178.393 176.600 0.086 0.000 1.048 19 K CA 1.764 58.123 56.287 0.119 0.000 0.927 19 K CB -0.811 31.749 32.500 0.099 0.000 0.712 19 K HN 0.294 nan 8.250 nan 0.000 0.441 20 L N 0.589 121.857 121.223 0.075 0.000 2.127 20 L HA -0.144 4.195 4.340 -0.002 0.000 0.211 20 L C 2.391 179.242 176.870 -0.030 0.000 1.089 20 L CA 1.185 56.064 54.840 0.065 0.000 0.757 20 L CB -0.438 41.677 42.059 0.093 0.000 0.899 20 L HN 0.236 nan 8.230 nan 0.000 0.434 21 I N -0.359 120.191 120.570 -0.033 0.000 2.252 21 I HA -0.257 3.912 4.170 -0.002 0.000 0.245 21 I C 2.805 178.936 176.117 0.024 0.000 1.102 21 I CA 1.109 62.387 61.300 -0.037 0.000 1.385 21 I CB -0.553 37.403 38.000 -0.073 0.000 1.064 21 I HN 0.194 nan 8.210 nan 0.000 0.414 22 A N 0.861 123.701 122.820 0.034 0.000 1.855 22 A HA -0.216 4.103 4.320 -0.002 0.000 0.215 22 A C 1.969 179.545 177.584 -0.013 0.000 1.191 22 A CA 1.985 54.038 52.037 0.028 0.000 0.613 22 A CB -0.647 18.383 19.000 0.049 0.000 0.829 22 A HN 0.314 nan 8.150 nan 0.000 0.442 23 D N -0.820 119.573 120.400 -0.013 0.000 2.116 23 D HA -0.189 4.450 4.640 -0.002 0.000 0.193 23 D C 1.616 177.796 176.300 -0.200 0.000 0.998 23 D CA 1.635 55.619 54.000 -0.026 0.000 0.836 23 D CB -0.571 40.285 40.800 0.093 0.000 0.951 23 D HN 0.481 nan 8.370 nan 0.000 0.449 24 F N 1.406 120.988 119.950 -0.613 0.000 2.134 24 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 24 F C 2.330 177.932 175.800 -0.331 0.000 1.097 24 F CA 1.359 58.849 58.000 -0.851 0.000 1.264 24 F CB 0.007 38.496 39.000 -0.851 0.000 1.001 24 F HN -0.205 nan 8.300 nan 0.000 0.479 25 R N 0.103 120.457 120.500 -0.243 0.000 2.115 25 R HA -0.096 4.243 4.340 -0.002 0.000 0.230 25 R C 1.514 177.680 176.300 -0.224 0.000 1.111 25 R CA 1.273 57.232 56.100 -0.235 0.000 0.976 25 R CB -0.187 30.082 30.300 -0.051 0.000 0.870 25 R HN 0.285 nan 8.270 nan 0.000 0.445 26 E N 0.495 120.599 120.200 -0.160 0.000 2.502 26 E HA -0.025 4.324 4.350 -0.002 0.000 0.194 26 E C -0.394 176.144 176.600 -0.103 0.000 1.062 26 E CA 0.252 56.592 56.400 -0.099 0.000 0.867 26 E CB -0.165 29.509 29.700 -0.043 0.000 0.888 26 E HN 0.121 nan 8.360 nan 0.000 0.510 27 D N 1.852 122.143 120.400 -0.181 0.000 2.339 27 D HA 0.063 4.702 4.640 -0.002 0.000 0.241 27 D C -1.407 174.802 176.300 -0.152 0.000 1.183 27 D CA -2.242 51.694 54.000 -0.106 0.000 0.859 27 D CB 1.509 42.295 40.800 -0.023 0.000 1.067 27 D HN -0.109 nan 8.370 nan 0.000 0.484 28 P HA -0.057 nan 4.420 nan 0.000 0.224 28 P C 0.365 177.589 177.300 -0.126 0.000 1.157 28 P CA 0.052 63.092 63.100 -0.100 0.000 0.799 28 P CB 0.256 31.917 31.700 -0.064 0.000 0.809 29 D N 1.876 122.189 120.400 -0.144 0.000 2.583 29 D HA -0.060 4.579 4.640 -0.002 0.000 0.232 29 D C -1.077 175.096 176.300 -0.212 0.000 1.128 29 D CA -0.777 53.067 54.000 -0.260 0.000 0.859 29 D CB 1.222 41.649 40.800 -0.621 0.000 1.169 29 D HN 0.116 nan 8.370 nan 0.000 0.481 30 P HA -0.040 nan 4.420 nan 0.000 0.225 30 P C 0.770 177.955 177.300 -0.192 0.000 1.156 30 P CA 0.649 63.648 63.100 -0.169 0.000 0.787 30 P CB 0.323 31.935 31.700 -0.147 0.000 0.802 31 R N 0.508 120.850 120.500 -0.263 0.000 2.317 31 R HA 0.080 4.419 4.340 -0.002 0.000 0.208 31 R C 1.027 177.205 176.300 -0.204 0.000 0.914 31 R CA -0.100 55.752 56.100 -0.414 0.000 1.060 31 R CB -0.266 29.607 30.300 -0.711 0.000 1.015 31 R HN 0.333 nan 8.270 nan 0.000 0.498 32 K N 1.455 121.867 120.400 0.020 0.000 2.524 32 K HA 0.106 4.425 4.320 -0.002 0.000 0.279 32 K C -0.153 176.733 176.600 0.476 0.000 0.993 32 K CA -0.088 56.395 56.287 0.328 0.000 1.030 32 K CB 1.041 33.698 32.500 0.261 0.000 0.891 32 K HN -0.076 nan 8.250 nan 0.000 0.488 33 V N 0.820 121.097 119.914 0.605 0.000 2.686 33 V HA 0.334 4.453 4.120 -0.002 0.000 0.306 33 V C -1.719 174.487 176.094 0.186 0.000 1.065 33 V CA -0.975 61.548 62.300 0.371 0.000 0.894 33 V CB 1.787 33.747 31.823 0.229 0.000 1.004 33 V HN 0.943 nan 8.190 nan 0.000 0.424 34 N N 5.058 123.518 118.700 -0.400 0.000 2.439 34 N HA 0.470 5.209 4.740 -0.002 0.000 0.249 34 N C -0.474 174.883 175.510 -0.255 0.000 1.003 34 N CA -0.434 52.225 53.050 -0.652 0.000 0.942 34 N CB 1.341 38.897 38.487 -1.553 0.000 1.115 34 N HN 0.710 nan 8.380 nan 0.000 0.505 35 L N 3.116 124.292 121.223 -0.079 0.000 3.110 35 L HA 0.481 4.820 4.340 -0.002 0.000 0.266 35 L C 1.310 178.192 176.870 0.019 0.000 1.257 35 L CA -0.146 54.685 54.840 -0.015 0.000 1.038 35 L CB 0.396 42.470 42.059 0.025 0.000 1.395 35 L HN 0.711 nan 8.230 nan 0.000 0.566 36 G N -1.199 107.585 108.800 -0.027 0.000 2.672 36 G HA2 0.100 4.059 3.960 -0.002 0.000 0.200 36 G HA3 0.100 4.059 3.960 -0.002 0.000 0.200 36 G C 0.197 175.102 174.900 0.007 0.000 1.819 36 G CA 0.030 45.124 45.100 -0.010 0.000 0.902 36 G HN -0.062 nan 8.290 nan 0.000 0.512 37 V N 1.678 121.554 119.914 -0.063 0.000 2.843 37 V HA 0.361 4.480 4.120 -0.002 0.000 0.305 37 V C 1.239 177.391 176.094 0.096 0.000 1.120 37 V CA 0.662 62.933 62.300 -0.048 0.000 1.254 37 V CB 0.803 32.490 31.823 -0.227 0.000 0.901 37 V HN 0.645 nan 8.190 nan 0.000 0.503 38 G N 5.736 114.693 108.800 0.263 0.000 2.741 38 G HA2 0.587 4.546 3.960 -0.002 0.000 0.301 38 G HA3 0.587 4.546 3.960 -0.002 0.000 0.301 38 G C -0.150 174.821 174.900 0.119 0.000 0.834 38 G CA 0.362 45.647 45.100 0.309 0.000 1.683 38 G HN 1.418 nan 8.290 nan 0.000 0.506 39 A N 2.571 125.393 122.820 0.004 0.000 2.422 39 A HA 0.627 4.946 4.320 -0.002 0.000 0.302 39 A C -1.196 176.424 177.584 0.060 0.000 1.041 39 A CA -0.792 51.204 52.037 -0.068 0.000 0.708 39 A CB 1.377 20.142 19.000 -0.391 0.000 1.257 39 A HN 0.624 nan 8.150 nan 0.000 0.414 40 Y N 2.511 122.893 120.300 0.136 0.000 2.336 40 Y HA 0.578 5.127 4.550 -0.001 0.000 0.331 40 Y C 0.267 176.242 175.900 0.126 0.000 1.211 40 Y CA 0.376 58.576 58.100 0.167 0.000 1.346 40 Y CB 0.591 39.260 38.460 0.348 0.000 1.271 40 Y HN 0.643 nan 8.280 nan 0.000 0.538 41 R N 2.673 122.696 120.500 -0.795 0.000 2.698 41 R HA 0.281 4.620 4.340 -0.002 0.000 0.275 41 R C -0.310 175.476 176.300 -0.858 0.000 1.001 41 R CA -0.579 55.190 56.100 -0.553 0.000 0.896 41 R CB 1.415 31.534 30.300 -0.301 0.000 1.218 41 R HN 0.874 nan 8.270 nan 0.000 0.462 42 T N -2.704 111.601 114.554 -0.415 0.000 2.732 42 T HA 0.030 4.379 4.350 -0.002 0.000 0.287 42 T C 0.979 175.538 174.700 -0.235 0.000 0.993 42 T CA -0.185 61.724 62.100 -0.320 0.000 0.966 42 T CB 0.591 69.349 68.868 -0.184 0.000 1.047 42 T HN 0.527 nan 8.240 nan 0.000 0.527 43 D N -0.664 119.633 120.400 -0.170 0.000 2.310 43 D HA -0.067 4.572 4.640 -0.002 0.000 0.212 43 D C 1.276 177.526 176.300 -0.083 0.000 0.965 43 D CA 0.783 54.714 54.000 -0.115 0.000 0.879 43 D CB -0.181 40.565 40.800 -0.089 0.000 0.921 43 D HN 0.528 nan 8.370 nan 0.000 0.510 44 D N -0.788 119.565 120.400 -0.077 0.000 2.349 44 D HA -0.041 4.598 4.640 -0.002 0.000 0.224 44 D C 0.705 176.981 176.300 -0.039 0.000 1.029 44 D CA 0.197 54.170 54.000 -0.044 0.000 0.879 44 D CB 0.190 40.975 40.800 -0.025 0.000 0.906 44 D HN 0.195 nan 8.370 nan 0.000 0.528 45 C N 1.803 121.062 119.300 -0.069 0.000 4.497 45 C HA -0.159 4.300 4.460 -0.002 0.000 0.292 45 C C -0.030 174.940 174.990 -0.034 0.000 1.366 45 C CA 0.242 59.222 59.018 -0.062 0.000 1.987 45 C CB -1.807 25.919 27.740 -0.024 0.000 1.241 45 C HN 0.281 nan 8.230 nan 0.000 0.788 46 Q N 0.158 119.941 119.800 -0.028 0.000 2.301 46 Q HA 0.538 4.877 4.340 -0.002 0.000 0.267 46 Q C -2.179 173.859 176.000 0.063 0.000 1.035 46 Q CA -2.011 53.809 55.803 0.028 0.000 0.856 46 Q CB 0.886 29.660 28.738 0.059 0.000 1.337 46 Q HN 0.267 nan 8.270 nan 0.000 0.450 47 P HA 0.007 nan 4.420 nan 0.000 0.269 47 P C -0.961 176.544 177.300 0.341 0.000 1.209 47 P CA -0.038 63.172 63.100 0.184 0.000 0.776 47 P CB 0.412 32.193 31.700 0.134 0.000 0.876 48 W N 4.223 125.655 121.300 0.220 0.000 2.424 48 W HA 0.398 5.058 4.660 -0.001 0.000 0.318 48 W C -1.577 175.068 176.519 0.211 0.000 1.016 48 W CA -0.713 56.772 57.345 0.233 0.000 1.268 48 W CB 0.871 30.553 29.460 0.371 0.000 1.297 48 W HN 0.000 nan 8.180 nan 0.000 0.428 49 V N 7.933 127.818 119.914 -0.048 0.000 2.408 49 V HA 0.094 4.213 4.120 -0.002 0.000 0.267 49 V C 0.469 176.206 176.094 -0.594 0.000 1.047 49 V CA -0.713 61.483 62.300 -0.174 0.000 0.937 49 V CB 0.305 32.096 31.823 -0.053 0.000 0.999 49 V HN 0.270 nan 8.190 nan 0.000 0.472 50 L N 8.954 129.801 121.223 -0.627 0.000 2.525 50 L HA 0.104 4.443 4.340 -0.002 0.000 0.278 50 L C -1.096 175.473 176.870 -0.501 0.000 1.218 50 L CA -0.533 53.773 54.840 -0.892 0.000 0.878 50 L CB -0.045 41.708 42.059 -0.511 0.000 1.127 50 L HN 0.416 nan 8.230 nan 0.000 0.492 51 P HA -0.217 nan 4.420 nan 0.000 0.216 51 P C 1.807 179.045 177.300 -0.103 0.000 1.157 51 P CA 0.992 63.988 63.100 -0.174 0.000 0.880 51 P CB 0.199 31.859 31.700 -0.067 0.000 0.791 52 V N -0.575 119.282 119.914 -0.095 0.000 2.407 52 V HA -0.195 3.924 4.120 -0.002 0.000 0.248 52 V C 2.169 178.255 176.094 -0.013 0.000 1.055 52 V CA 1.764 64.050 62.300 -0.023 0.000 1.049 52 V CB -0.870 30.965 31.823 0.020 0.000 0.662 52 V HN -0.094 nan 8.190 nan 0.000 0.455 53 V N 0.149 120.043 119.914 -0.033 0.000 2.295 53 V HA -0.252 3.867 4.120 -0.002 0.000 0.246 53 V C 2.629 178.709 176.094 -0.024 0.000 1.049 53 V CA 2.530 64.829 62.300 -0.003 0.000 1.024 53 V CB -0.817 31.012 31.823 0.010 0.000 0.648 53 V HN 0.495 nan 8.190 nan 0.000 0.447 54 R N -0.144 120.327 120.500 -0.048 0.000 2.091 54 R HA -0.211 4.128 4.340 -0.002 0.000 0.238 54 R C 2.468 178.759 176.300 -0.015 0.000 1.136 54 R CA 1.796 57.878 56.100 -0.030 0.000 0.959 54 R CB -0.350 29.929 30.300 -0.035 0.000 0.856 54 R HN 0.473 nan 8.270 nan 0.000 0.437 55 K N 0.680 121.072 120.400 -0.013 0.000 2.002 55 K HA -0.127 4.192 4.320 -0.002 0.000 0.209 55 K C 1.927 178.526 176.600 -0.001 0.000 1.048 55 K CA 1.569 57.856 56.287 -0.001 0.000 0.930 55 K CB 0.014 32.517 32.500 0.006 0.000 0.714 55 K HN 0.010 nan 8.250 nan 0.000 0.438 56 V N 1.675 121.588 119.914 -0.002 0.000 2.427 56 V HA -0.204 3.915 4.120 -0.002 0.000 0.248 56 V C 2.068 178.150 176.094 -0.019 0.000 1.051 56 V CA 1.854 64.149 62.300 -0.008 0.000 1.048 56 V CB -0.468 31.350 31.823 -0.008 0.000 0.666 56 V HN 0.392 nan 8.190 nan 0.000 0.456 57 E N -0.381 119.808 120.200 -0.019 0.000 2.085 57 E HA -0.244 4.105 4.350 -0.002 0.000 0.194 57 E C 2.435 179.026 176.600 -0.015 0.000 0.994 57 E CA 1.255 57.643 56.400 -0.020 0.000 0.801 57 E CB -0.110 29.581 29.700 -0.015 0.000 0.743 57 E HN 0.546 nan 8.360 nan 0.000 0.453 58 Q N 0.275 120.069 119.800 -0.009 0.000 2.079 58 Q HA -0.117 4.222 4.340 -0.002 0.000 0.200 58 Q C 2.119 178.114 176.000 -0.009 0.000 0.974 58 Q CA 1.170 56.969 55.803 -0.006 0.000 0.840 58 Q CB -0.241 28.497 28.738 -0.001 0.000 0.898 58 Q HN 0.263 nan 8.270 nan 0.000 0.430 59 R N 0.121 120.615 120.500 -0.010 0.000 2.073 59 R HA -0.059 4.280 4.340 -0.002 0.000 0.234 59 R C 2.460 178.748 176.300 -0.020 0.000 1.134 59 R CA 1.177 57.270 56.100 -0.012 0.000 0.952 59 R CB -0.407 29.887 30.300 -0.010 0.000 0.850 59 R HN 0.222 nan 8.270 nan 0.000 0.433 60 I N 0.633 121.187 120.570 -0.026 0.000 2.179 60 I HA -0.281 3.888 4.170 -0.002 0.000 0.242 60 I C 2.574 178.672 176.117 -0.032 0.000 1.088 60 I CA 1.345 62.623 61.300 -0.037 0.000 1.357 60 I CB -0.416 37.557 38.000 -0.044 0.000 1.051 60 I HN 0.219 nan 8.210 nan 0.000 0.409 61 A N 0.464 123.271 122.820 -0.021 0.000 2.024 61 A HA -0.180 4.139 4.320 -0.002 0.000 0.220 61 A C 1.789 179.365 177.584 -0.015 0.000 1.164 61 A CA 1.713 53.742 52.037 -0.014 0.000 0.643 61 A CB -0.505 18.491 19.000 -0.006 0.000 0.806 61 A HN 0.474 nan 8.150 nan 0.000 0.451 62 N N -0.347 118.343 118.700 -0.016 0.000 2.235 62 N HA 0.011 4.750 4.740 -0.002 0.000 0.209 62 N C -0.210 175.288 175.510 -0.020 0.000 1.122 62 N CA 0.009 53.051 53.050 -0.014 0.000 0.845 62 N CB -0.149 38.333 38.487 -0.009 0.000 1.004 62 N HN 0.649 nan 8.380 nan 0.000 0.499 63 N N 0.562 119.245 118.700 -0.028 0.000 2.678 63 N HA 0.130 4.870 4.740 -0.002 0.000 0.231 63 N C 0.317 175.801 175.510 -0.044 0.000 1.038 63 N CA -0.105 52.924 53.050 -0.035 0.000 0.932 63 N CB 0.536 38.999 38.487 -0.040 0.000 1.176 63 N HN -0.205 nan 8.380 nan 0.000 0.511 64 S N 0.719 116.397 115.700 -0.036 0.000 2.474 64 S HA -0.134 4.335 4.470 -0.002 0.000 0.235 64 S C 1.971 176.544 174.600 -0.045 0.000 0.997 64 S CA 0.961 59.138 58.200 -0.037 0.000 0.949 64 S CB -0.084 63.101 63.200 -0.025 0.000 0.766 64 S HN 0.790 nan 8.310 nan 0.000 0.517 65 S N 0.700 116.373 115.700 -0.045 0.000 2.515 65 S HA 0.119 4.588 4.470 -0.002 0.000 0.231 65 S C 0.503 175.063 174.600 -0.067 0.000 0.987 65 S CA 0.069 58.241 58.200 -0.047 0.000 0.936 65 S CB -0.423 62.754 63.200 -0.038 0.000 0.766 65 S HN 0.355 nan 8.310 nan 0.000 0.528 66 L N 2.832 124.001 121.223 -0.090 0.000 2.350 66 L HA 0.470 4.809 4.340 -0.002 0.000 0.275 66 L C 0.209 176.966 176.870 -0.187 0.000 1.099 66 L CA -0.787 53.971 54.840 -0.135 0.000 0.808 66 L CB 0.774 42.739 42.059 -0.156 0.000 1.149 66 L HN 0.412 nan 8.230 nan 0.000 0.442 67 N N -0.892 117.682 118.700 -0.211 0.000 2.890 67 N HA 0.304 5.043 4.740 -0.002 0.000 0.317 67 N C -0.211 175.078 175.510 -0.369 0.000 1.355 67 N CA -0.741 52.170 53.050 -0.232 0.000 0.803 67 N CB 0.668 39.092 38.487 -0.105 0.000 1.465 67 N HN 0.382 nan 8.380 nan 0.000 0.591 68 H N -1.148 117.882 119.070 -0.065 0.000 2.512 68 H HA 0.307 4.862 4.556 -0.001 0.000 0.276 68 H C -0.483 174.770 175.328 -0.125 0.000 1.126 68 H CA -0.267 55.728 56.048 -0.087 0.000 1.060 68 H CB 0.274 29.981 29.762 -0.092 0.000 1.646 68 H HN 0.489 nan 8.280 nan 0.000 0.571 69 E N 0.756 120.940 120.200 -0.027 0.000 2.398 69 E HA -0.016 4.333 4.350 -0.002 0.000 0.263 69 E C -0.133 176.457 176.600 -0.016 0.000 1.046 69 E CA -0.234 56.127 56.400 -0.065 0.000 0.908 69 E CB 0.752 30.441 29.700 -0.018 0.000 0.963 69 E HN 0.165 nan 8.360 nan 0.000 0.431 70 Y N 0.825 121.146 120.300 0.035 0.000 2.904 70 Y HA -0.124 4.425 4.550 -0.002 0.000 0.336 70 Y C 1.131 177.047 175.900 0.025 0.000 1.263 70 Y CA 0.499 58.618 58.100 0.033 0.000 1.547 70 Y CB -0.046 38.434 38.460 0.033 0.000 1.272 70 Y HN 0.254 nan 8.280 nan 0.000 0.596 71 L N 5.530 126.879 121.223 0.210 0.000 2.475 71 L HA 0.285 4.625 4.340 -0.002 0.000 0.253 71 L C -1.855 175.083 176.870 0.114 0.000 1.198 71 L CA -2.030 52.880 54.840 0.117 0.000 0.814 71 L CB 0.151 42.256 42.059 0.077 0.000 1.134 71 L HN 0.436 nan 8.230 nan 0.000 0.478 72 P HA 0.064 nan 4.420 nan 0.000 0.269 72 P C 0.837 178.176 177.300 0.065 0.000 1.217 72 P CA -0.046 63.089 63.100 0.058 0.000 0.783 72 P CB 0.571 32.300 31.700 0.049 0.000 0.898 73 I N 0.679 121.275 120.570 0.042 0.000 2.151 73 I HA -0.277 3.892 4.170 -0.002 0.000 0.243 73 I C 1.859 178.034 176.117 0.097 0.000 1.080 73 I CA 1.731 63.061 61.300 0.050 0.000 1.339 73 I CB -0.510 37.494 38.000 0.007 0.000 1.039 73 I HN 0.354 nan 8.210 nan 0.000 0.409 74 L N 0.057 121.328 121.223 0.080 0.000 2.478 74 L HA 0.175 4.514 4.340 -0.002 0.000 0.223 74 L C 1.087 178.033 176.870 0.128 0.000 1.140 74 L CA 0.359 55.259 54.840 0.100 0.000 0.842 74 L CB -0.854 41.242 42.059 0.061 0.000 0.953 74 L HN 0.534 nan 8.230 nan 0.000 0.452 75 G N 0.158 109.025 108.800 0.112 0.000 2.483 75 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.521 75 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.521 75 G C -1.110 173.842 174.900 0.088 0.000 1.278 75 G CA -0.803 44.357 45.100 0.100 0.000 0.965 75 G HN -0.088 nan 8.290 nan 0.000 0.504 76 L N 1.445 122.714 121.223 0.076 0.000 2.562 76 L HA 0.554 4.893 4.340 -0.002 0.000 0.271 76 L C 2.059 178.995 176.870 0.110 0.000 1.167 76 L CA 1.590 56.474 54.840 0.072 0.000 0.917 76 L CB 0.423 42.500 42.059 0.030 0.000 1.187 76 L HN 1.736 nan 8.230 nan 0.000 0.482 77 A N 3.989 126.845 122.820 0.059 0.000 1.892 77 A HA -0.214 4.105 4.320 -0.002 0.000 0.218 77 A C 1.864 179.460 177.584 0.021 0.000 1.188 77 A CA 1.934 53.994 52.037 0.038 0.000 0.631 77 A CB -0.488 18.522 19.000 0.017 0.000 0.822 77 A HN 0.865 nan 8.150 nan 0.000 0.447 78 E N -0.897 119.314 120.200 0.019 0.000 2.153 78 E HA -0.143 4.206 4.350 -0.002 0.000 0.194 78 E C 1.594 178.178 176.600 -0.027 0.000 0.988 78 E CA 1.319 57.714 56.400 -0.009 0.000 0.811 78 E CB -0.511 29.183 29.700 -0.010 0.000 0.746 78 E HN 0.751 nan 8.360 nan 0.000 0.466 79 F N 1.479 121.362 119.950 -0.112 0.000 2.128 79 F HA -0.062 4.464 4.527 -0.001 0.000 0.295 79 F C 2.019 177.748 175.800 -0.118 0.000 1.100 79 F CA 1.330 59.230 58.000 -0.167 0.000 1.260 79 F CB -0.031 38.848 39.000 -0.202 0.000 1.009 79 F HN -0.207 nan 8.300 nan 0.000 0.476 80 R N -0.056 120.355 120.500 -0.148 0.000 2.096 80 R HA -0.152 4.187 4.340 -0.002 0.000 0.240 80 R C 2.176 178.336 176.300 -0.232 0.000 1.139 80 R CA 2.256 58.237 56.100 -0.198 0.000 0.952 80 R CB -1.171 29.132 30.300 0.006 0.000 0.854 80 R HN 0.283 nan 8.270 nan 0.000 0.436 81 T N 0.104 114.565 114.554 -0.156 0.000 2.674 81 T HA -0.179 4.170 4.350 -0.002 0.000 0.265 81 T C 2.048 176.656 174.700 -0.154 0.000 1.039 81 T CA 1.443 63.470 62.100 -0.122 0.000 1.150 81 T CB -0.362 68.460 68.868 -0.076 0.000 0.864 81 T HN 0.367 nan 8.240 nan 0.000 0.427 82 C N 1.528 120.707 119.300 -0.202 0.000 2.425 82 C HA 0.085 4.544 4.460 -0.002 0.000 0.277 82 C C 3.206 178.078 174.990 -0.196 0.000 1.280 82 C CA 0.357 59.265 59.018 -0.183 0.000 1.744 82 C CB -1.424 26.198 27.740 -0.197 0.000 1.989 82 C HN 0.661 nan 8.230 nan 0.000 0.491 83 A N 0.178 122.761 122.820 -0.395 0.000 1.873 83 A HA -0.140 4.179 4.320 -0.002 0.000 0.215 83 A C 2.279 179.840 177.584 -0.039 0.000 1.186 83 A CA 2.223 54.124 52.037 -0.225 0.000 0.616 83 A CB -0.801 17.868 19.000 -0.552 0.000 0.823 83 A HN 0.535 nan 8.150 nan 0.000 0.442 84 S N -0.907 114.734 115.700 -0.098 0.000 2.368 84 S HA -0.154 4.315 4.470 -0.002 0.000 0.225 84 S C 2.093 176.681 174.600 -0.020 0.000 1.030 84 S CA 1.314 59.488 58.200 -0.043 0.000 0.999 84 S CB -0.324 62.844 63.200 -0.053 0.000 0.844 84 S HN 0.605 nan 8.310 nan 0.000 0.459 85 R N 0.484 120.967 120.500 -0.028 0.000 2.081 85 R HA -0.082 4.257 4.340 -0.002 0.000 0.235 85 R C 2.321 178.642 176.300 0.035 0.000 1.131 85 R CA 1.189 57.282 56.100 -0.012 0.000 0.960 85 R CB -0.439 29.840 30.300 -0.035 0.000 0.856 85 R HN 0.333 nan 8.270 nan 0.000 0.436 86 L N 0.431 121.707 121.223 0.089 0.000 2.012 86 L HA -0.133 4.206 4.340 -0.002 0.000 0.210 86 L C 2.202 179.151 176.870 0.132 0.000 1.073 86 L CA 2.240 57.195 54.840 0.191 0.000 0.748 86 L CB -0.507 41.747 42.059 0.326 0.000 0.891 86 L HN 0.198 nan 8.230 nan 0.000 0.431 87 A N -0.860 122.004 122.820 0.074 0.000 1.897 87 A HA -0.051 4.268 4.320 -0.002 0.000 0.215 87 A C 2.160 179.727 177.584 -0.029 0.000 1.181 87 A CA 1.716 53.759 52.037 0.009 0.000 0.620 87 A CB -0.700 18.286 19.000 -0.023 0.000 0.821 87 A HN 0.480 nan 8.150 nan 0.000 0.443 88 L N -1.325 119.883 121.223 -0.024 0.000 2.375 88 L HA 0.286 4.625 4.340 -0.002 0.000 0.215 88 L C 1.165 178.021 176.870 -0.024 0.000 1.108 88 L CA 0.430 55.244 54.840 -0.042 0.000 0.830 88 L CB -0.772 41.264 42.059 -0.037 0.000 0.959 88 L HN 0.600 nan 8.230 nan 0.000 0.457 89 G N 0.751 109.552 108.800 0.002 0.000 2.785 89 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.686 89 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.686 89 G C -0.274 174.622 174.900 -0.005 0.000 1.155 89 G CA -0.243 44.863 45.100 0.011 0.000 0.760 89 G HN 0.247 nan 8.290 nan 0.000 0.624 90 D N 0.625 121.018 120.400 -0.011 0.000 2.158 90 D HA -0.051 4.589 4.640 -0.002 0.000 0.197 90 D C 1.860 178.147 176.300 -0.021 0.000 0.995 90 D CA 2.038 56.021 54.000 -0.029 0.000 0.846 90 D CB -0.009 40.762 40.800 -0.048 0.000 0.941 90 D HN 0.758 nan 8.370 nan 0.000 0.456 91 D N -0.564 119.830 120.400 -0.011 0.000 2.340 91 D HA 0.047 4.686 4.640 -0.002 0.000 0.217 91 D C 0.190 176.486 176.300 -0.008 0.000 1.081 91 D CA -0.229 53.766 54.000 -0.007 0.000 0.842 91 D CB -0.261 40.540 40.800 0.002 0.000 0.934 91 D HN -0.054 nan 8.370 nan 0.000 0.511 92 S N 1.625 117.318 115.700 -0.013 0.000 2.563 92 S HA 0.023 4.492 4.470 -0.002 0.000 0.294 92 S C -1.061 173.531 174.600 -0.014 0.000 1.279 92 S CA -0.939 57.250 58.200 -0.017 0.000 1.069 92 S CB 0.901 64.087 63.200 -0.023 0.000 0.828 92 S HN 0.011 nan 8.310 nan 0.000 0.497 93 P HA -0.076 nan 4.420 nan 0.000 0.217 93 P C 1.274 178.569 177.300 -0.009 0.000 1.150 93 P CA 1.565 64.658 63.100 -0.011 0.000 0.832 93 P CB -0.207 31.485 31.700 -0.013 0.000 0.787 94 A N 0.074 122.888 122.820 -0.009 0.000 1.940 94 A HA -0.146 4.173 4.320 -0.002 0.000 0.219 94 A C 2.422 180.004 177.584 -0.004 0.000 1.176 94 A CA 1.429 53.465 52.037 -0.002 0.000 0.631 94 A CB -1.592 17.408 19.000 -0.000 0.000 0.814 94 A HN 0.142 nan 8.150 nan 0.000 0.446 95 L N -0.902 120.315 121.223 -0.010 0.000 2.072 95 L HA -0.221 4.118 4.340 -0.002 0.000 0.205 95 L C 2.902 179.765 176.870 -0.011 0.000 1.079 95 L CA 1.439 56.271 54.840 -0.013 0.000 0.752 95 L CB -0.599 41.449 42.059 -0.019 0.000 0.906 95 L HN 0.520 nan 8.230 nan 0.000 0.436 96 Q N 0.162 119.956 119.800 -0.010 0.000 2.084 96 Q HA -0.214 4.125 4.340 -0.002 0.000 0.202 96 Q C 1.487 177.483 176.000 -0.006 0.000 0.978 96 Q CA 1.415 57.213 55.803 -0.009 0.000 0.844 96 Q CB -0.193 28.541 28.738 -0.008 0.000 0.898 96 Q HN 0.526 nan 8.270 nan 0.000 0.426 97 E N 0.887 121.084 120.200 -0.004 0.000 2.494 97 E HA 0.000 4.349 4.350 -0.002 0.000 0.193 97 E C -0.478 176.123 176.600 0.001 0.000 1.074 97 E CA -0.132 56.267 56.400 -0.001 0.000 0.867 97 E CB 0.123 29.824 29.700 0.001 0.000 0.924 97 E HN 0.159 nan 8.360 nan 0.000 0.502 98 K N 0.563 120.962 120.400 -0.002 0.000 3.035 98 K HA -0.242 4.077 4.320 -0.002 0.000 0.262 98 K C -0.023 176.579 176.600 0.003 0.000 1.024 98 K CA 0.832 57.117 56.287 -0.002 0.000 0.748 98 K CB -1.527 30.971 32.500 -0.003 0.000 1.247 98 K HN 0.354 nan 8.250 nan 0.000 0.482 99 R N -0.720 119.785 120.500 0.008 0.000 2.767 99 R HA 0.299 4.638 4.340 -0.002 0.000 0.377 99 R C -0.301 176.011 176.300 0.021 0.000 1.151 99 R CA -0.592 55.519 56.100 0.018 0.000 1.046 99 R CB 0.566 30.881 30.300 0.025 0.000 1.404 99 R HN -0.055 nan 8.270 nan 0.000 0.580 100 V N 0.274 120.193 119.914 0.009 0.000 2.604 100 V HA 0.753 4.872 4.120 -0.002 0.000 0.305 100 V C 0.182 176.271 176.094 -0.009 0.000 1.043 100 V CA -0.746 61.556 62.300 0.004 0.000 0.888 100 V CB 1.910 33.730 31.823 -0.005 0.000 0.995 100 V HN 0.479 nan 8.190 nan 0.000 0.429 101 G N 1.648 110.437 108.800 -0.017 0.000 2.563 101 G HA2 0.769 4.728 3.960 -0.002 0.000 0.302 101 G HA3 0.769 4.728 3.960 -0.002 0.000 0.302 101 G C -0.668 174.205 174.900 -0.045 0.000 1.301 101 G CA -0.491 44.589 45.100 -0.034 0.000 0.965 101 G HN 1.099 nan 8.290 nan 0.000 0.480 102 G N -1.066 107.713 108.800 -0.036 0.000 2.701 102 G HA2 0.571 4.530 3.960 -0.002 0.000 0.300 102 G HA3 0.571 4.530 3.960 -0.002 0.000 0.300 102 G C -1.495 173.413 174.900 0.013 0.000 1.410 102 G CA -0.452 44.634 45.100 -0.023 0.000 1.014 102 G HN 0.914 nan 8.290 nan 0.000 0.509 103 V N 2.200 122.139 119.914 0.040 0.000 2.376 103 V HA 0.343 4.462 4.120 -0.002 0.000 0.287 103 V C 0.353 176.567 176.094 0.200 0.000 1.015 103 V CA -0.782 61.576 62.300 0.097 0.000 0.834 103 V CB 1.196 33.053 31.823 0.057 0.000 1.001 103 V HN 0.887 nan 8.190 nan 0.000 0.428 104 Q N 3.463 123.414 119.800 0.253 0.000 2.330 104 Q HA 0.373 4.712 4.340 -0.002 0.000 0.279 104 Q C 0.150 176.293 176.000 0.239 0.000 1.024 104 Q CA 0.225 56.213 55.803 0.307 0.000 0.900 104 Q CB 0.838 29.695 28.738 0.197 0.000 1.221 104 Q HN 0.978 nan 8.270 nan 0.000 0.396 105 S N 3.304 119.101 115.700 0.162 0.000 2.697 105 S HA 0.448 4.918 4.470 -0.002 0.000 0.289 105 S C -0.748 173.705 174.600 -0.244 0.000 1.149 105 S CA -1.062 57.189 58.200 0.084 0.000 0.850 105 S CB 0.853 64.241 63.200 0.313 0.000 1.151 105 S HN 0.583 nan 8.310 nan 0.000 0.491 106 L N 2.728 123.605 121.223 -0.577 0.000 2.404 106 L HA 0.465 4.804 4.340 -0.002 0.000 0.277 106 L C 1.408 178.182 176.870 -0.160 0.000 1.184 106 L CA 1.732 56.278 54.840 -0.490 0.000 1.013 106 L CB -0.902 40.687 42.059 -0.783 0.000 1.318 106 L HN 1.305 nan 8.230 nan 0.000 0.435 107 G N 2.866 111.619 108.800 -0.077 0.000 2.752 107 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.234 107 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.234 107 G C 0.894 175.828 174.900 0.056 0.000 1.367 107 G CA -0.210 44.898 45.100 0.012 0.000 0.879 107 G HN 0.711 nan 8.290 nan 0.000 0.563 108 G N -1.640 107.182 108.800 0.036 0.000 2.432 108 G HA2 0.060 4.019 3.960 -0.002 0.000 0.219 108 G HA3 0.060 4.019 3.960 -0.002 0.000 0.219 108 G C 1.864 176.847 174.900 0.138 0.000 1.135 108 G CA 2.343 47.471 45.100 0.046 0.000 0.767 108 G HN 1.202 nan 8.290 nan 0.000 0.550 109 T N 1.032 115.695 114.554 0.181 0.000 2.708 109 T HA -0.067 4.282 4.350 -0.002 0.000 0.266 109 T C 2.515 177.351 174.700 0.226 0.000 1.037 109 T CA 1.485 63.748 62.100 0.271 0.000 1.146 109 T CB -0.616 68.426 68.868 0.290 0.000 0.865 109 T HN 0.343 nan 8.240 nan 0.000 0.435 110 G N 1.030 109.945 108.800 0.193 0.000 2.422 110 G HA2 -0.037 3.922 3.960 -0.002 0.000 0.218 110 G HA3 -0.037 3.922 3.960 -0.002 0.000 0.218 110 G C 1.827 176.948 174.900 0.367 0.000 1.146 110 G CA 0.913 46.196 45.100 0.306 0.000 0.769 110 G HN 0.587 nan 8.290 nan 0.000 0.547 111 A N 0.578 123.561 122.820 0.272 0.000 1.902 111 A HA 0.089 4.408 4.320 -0.002 0.000 0.217 111 A C 2.439 180.214 177.584 0.318 0.000 1.181 111 A CA 1.280 53.484 52.037 0.278 0.000 0.623 111 A CB -0.426 18.713 19.000 0.233 0.000 0.818 111 A HN 0.352 nan 8.150 nan 0.000 0.443 112 L N -1.186 120.202 121.223 0.275 0.000 2.017 112 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 112 L C 2.783 179.734 176.870 0.135 0.000 1.073 112 L CA 1.782 56.743 54.840 0.200 0.000 0.745 112 L CB -0.397 41.736 42.059 0.125 0.000 0.894 112 L HN 0.384 nan 8.230 nan 0.000 0.432 113 R N 0.556 121.138 120.500 0.136 0.000 2.073 113 R HA -0.160 4.179 4.340 -0.002 0.000 0.234 113 R C 2.081 178.457 176.300 0.127 0.000 1.134 113 R CA 1.696 57.846 56.100 0.082 0.000 0.952 113 R CB -0.513 29.866 30.300 0.132 0.000 0.850 113 R HN 0.140 nan 8.270 nan 0.000 0.433 114 I N 0.229 120.909 120.570 0.184 0.000 2.226 114 I HA -0.117 4.053 4.170 -0.002 0.000 0.245 114 I C 2.238 178.496 176.117 0.234 0.000 1.100 114 I CA 1.841 63.228 61.300 0.146 0.000 1.374 114 I CB -1.764 36.316 38.000 0.133 0.000 1.057 114 I HN 0.429 nan 8.210 nan 0.000 0.413 115 G N 0.569 109.559 108.800 0.317 0.000 2.421 115 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.216 115 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.216 115 G C 1.870 177.200 174.900 0.717 0.000 1.171 115 G CA 1.074 46.464 45.100 0.483 0.000 0.775 115 G HN 0.492 nan 8.290 nan 0.000 0.543 116 A N 0.646 123.786 122.820 0.534 0.000 1.902 116 A HA -0.034 4.286 4.320 -0.002 0.000 0.217 116 A C 2.246 180.063 177.584 0.389 0.000 1.181 116 A CA 1.959 54.224 52.037 0.380 0.000 0.623 116 A CB -0.341 18.449 19.000 -0.351 0.000 0.818 116 A HN 0.302 nan 8.150 nan 0.000 0.443 117 E N -0.990 119.353 120.200 0.237 0.000 2.077 117 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 117 E C 1.776 178.497 176.600 0.202 0.000 0.989 117 E CA 1.186 57.670 56.400 0.140 0.000 0.800 117 E CB -0.486 29.261 29.700 0.080 0.000 0.746 117 E HN 0.700 nan 8.360 nan 0.000 0.452 118 F N 1.543 121.635 119.950 0.236 0.000 2.075 118 F HA -0.178 4.348 4.527 -0.001 0.000 0.297 118 F C 2.235 178.252 175.800 0.362 0.000 1.113 118 F CA 1.254 59.458 58.000 0.341 0.000 1.218 118 F CB -0.320 38.903 39.000 0.372 0.000 0.984 118 F HN -0.092 nan 8.300 nan 0.000 0.472 119 L N 0.124 121.698 121.223 0.584 0.000 2.079 119 L HA -0.218 4.121 4.340 -0.002 0.000 0.210 119 L C 2.721 179.797 176.870 0.343 0.000 1.081 119 L CA 1.221 56.338 54.840 0.461 0.000 0.752 119 L CB -1.243 41.084 42.059 0.446 0.000 0.896 119 L HN 0.257 nan 8.230 nan 0.000 0.433 120 A N -0.342 122.592 122.820 0.189 0.000 2.121 120 A HA -0.144 4.175 4.320 -0.002 0.000 0.218 120 A C 2.356 179.764 177.584 -0.293 0.000 1.154 120 A CA 1.368 53.249 52.037 -0.260 0.000 0.679 120 A CB -0.329 18.330 19.000 -0.568 0.000 0.795 120 A HN 0.366 nan 8.150 nan 0.000 0.458 121 R N -3.231 117.049 120.500 -0.366 0.000 2.191 121 R HA 0.096 4.436 4.340 -0.002 0.000 0.196 121 R C 0.910 176.658 176.300 -0.920 0.000 0.991 121 R CA 0.730 56.380 56.100 -0.750 0.000 1.075 121 R CB 0.070 29.707 30.300 -1.105 0.000 1.040 121 R HN 0.694 nan 8.270 nan 0.000 0.526 122 W N -1.460 119.643 121.300 -0.329 0.000 2.714 122 W HA 0.262 4.922 4.660 -0.000 0.000 0.353 122 W C -0.314 176.138 176.519 -0.111 0.000 0.999 122 W CA -0.743 56.411 57.345 -0.317 0.000 1.629 122 W CB 0.557 29.608 29.460 -0.683 0.000 1.106 122 W HN -0.102 nan 8.180 nan 0.000 0.545 123 Y N 2.331 122.645 120.300 0.023 0.000 2.342 123 Y HA 0.272 4.821 4.550 -0.002 0.000 0.334 123 Y C 1.015 176.916 175.900 0.001 0.000 1.067 123 Y CA -0.808 57.313 58.100 0.035 0.000 1.128 123 Y CB 0.534 38.995 38.460 0.002 0.000 1.200 123 Y HN 0.151 nan 8.280 nan 0.000 0.464 124 N N 3.752 121.989 118.700 -0.772 0.000 2.740 124 N HA -0.184 4.556 4.740 -0.002 0.000 0.248 124 N C -0.092 175.228 175.510 -0.316 0.000 1.062 124 N CA 0.704 53.336 53.050 -0.697 0.000 0.704 124 N CB -1.177 36.904 38.487 -0.677 0.000 0.968 124 N HN 1.442 nan 8.380 nan 0.000 0.547 125 G N -1.542 107.122 108.800 -0.227 0.000 2.409 125 G HA2 -0.115 3.844 3.960 -0.002 0.000 0.421 125 G HA3 -0.115 3.844 3.960 -0.002 0.000 0.421 125 G C -0.794 174.052 174.900 -0.090 0.000 1.259 125 G CA -0.184 44.837 45.100 -0.131 0.000 1.011 125 G HN 0.251 nan 8.290 nan 0.000 0.497 126 T N 1.844 116.333 114.554 -0.108 0.000 2.771 126 T HA 0.552 4.901 4.350 -0.002 0.000 0.281 126 T C 0.492 175.051 174.700 -0.235 0.000 0.982 126 T CA 0.251 62.232 62.100 -0.198 0.000 0.978 126 T CB 0.822 69.601 68.868 -0.149 0.000 0.930 126 T HN 1.026 nan 8.240 nan 0.000 0.447 127 N N 2.485 120.981 118.700 -0.339 0.000 2.725 127 N HA -0.171 4.569 4.740 -0.002 0.000 0.251 127 N C -0.559 174.839 175.510 -0.188 0.000 1.031 127 N CA 0.349 53.224 53.050 -0.291 0.000 0.720 127 N CB -0.878 37.443 38.487 -0.276 0.000 0.930 127 N HN 0.559 nan 8.380 nan 0.000 0.543 128 N N 1.276 119.893 118.700 -0.138 0.000 2.469 128 N HA 0.112 4.851 4.740 -0.002 0.000 0.239 128 N C 0.688 176.185 175.510 -0.022 0.000 1.053 128 N CA -0.235 52.783 53.050 -0.053 0.000 0.937 128 N CB 0.537 39.017 38.487 -0.011 0.000 1.163 128 N HN 0.050 nan 8.380 nan 0.000 0.509 129 K N 1.730 122.087 120.400 -0.072 0.000 2.374 129 K HA 0.118 4.438 4.320 -0.002 0.000 0.196 129 K C -0.196 176.478 176.600 0.123 0.000 1.023 129 K CA 0.041 56.257 56.287 -0.118 0.000 1.103 129 K CB 0.830 33.217 32.500 -0.189 0.000 0.848 129 K HN 0.482 nan 8.250 nan 0.000 0.528 130 D N 1.109 121.588 120.400 0.133 0.000 2.354 130 D HA -0.061 4.578 4.640 -0.002 0.000 0.209 130 D C 0.761 177.190 176.300 0.216 0.000 1.015 130 D CA 0.493 54.584 54.000 0.151 0.000 0.867 130 D CB 0.306 41.158 40.800 0.086 0.000 0.933 130 D HN 0.094 nan 8.370 nan 0.000 0.520 131 T N 1.810 116.545 114.554 0.301 0.000 2.853 131 T HA 0.178 4.528 4.350 -0.002 0.000 0.298 131 T C -2.646 172.189 174.700 0.226 0.000 0.978 131 T CA -1.446 60.830 62.100 0.293 0.000 1.152 131 T CB 1.223 70.308 68.868 0.362 0.000 0.914 131 T HN -0.233 nan 8.240 nan 0.000 0.539 132 P HA 0.242 nan 4.420 nan 0.000 0.268 132 P C -1.008 176.261 177.300 -0.052 0.000 1.205 132 P CA -0.384 62.742 63.100 0.044 0.000 0.771 132 P CB 0.550 32.310 31.700 0.100 0.000 0.858 133 V N 4.471 124.235 119.914 -0.250 0.000 2.448 133 V HA 0.313 4.432 4.120 -0.002 0.000 0.295 133 V C -0.663 175.166 176.094 -0.440 0.000 1.025 133 V CA -0.428 61.628 62.300 -0.405 0.000 0.859 133 V CB 0.711 32.161 31.823 -0.622 0.000 0.988 133 V HN 0.386 nan 8.190 nan 0.000 0.431 134 Y N 3.714 123.667 120.300 -0.578 0.000 2.352 134 Y HA 0.678 5.227 4.550 -0.001 0.000 0.339 134 Y C 0.225 175.923 175.900 -0.336 0.000 0.992 134 Y CA -0.760 57.026 58.100 -0.524 0.000 1.100 134 Y CB 2.115 39.951 38.460 -1.039 0.000 1.192 134 Y HN 0.551 nan 8.280 nan 0.000 0.458 135 V N -0.092 119.721 119.914 -0.167 0.000 2.960 135 V HA 0.794 4.913 4.120 -0.002 0.000 0.315 135 V C -0.055 175.619 176.094 -0.700 0.000 1.087 135 V CA -1.163 60.992 62.300 -0.242 0.000 0.982 135 V CB 1.538 33.272 31.823 -0.149 0.000 1.039 135 V HN 0.766 nan 8.190 nan 0.000 0.437 136 S N 1.695 116.910 115.700 -0.808 0.000 2.593 136 S HA 0.461 4.930 4.470 -0.002 0.000 0.269 136 S C 0.253 174.566 174.600 -0.479 0.000 1.334 136 S CA 0.108 57.617 58.200 -1.153 0.000 1.015 136 S CB 1.203 63.950 63.200 -0.756 0.000 0.912 136 S HN 1.606 nan 8.310 nan 0.000 0.541 137 S N 3.058 118.558 115.700 -0.333 0.000 2.601 137 S HA 0.538 5.007 4.470 -0.002 0.000 0.312 137 S C -2.376 172.241 174.600 0.029 0.000 1.107 137 S CA -1.571 56.572 58.200 -0.095 0.000 1.129 137 S CB 0.298 63.480 63.200 -0.031 0.000 0.982 137 S HN 0.715 nan 8.310 nan 0.000 0.469 138 P HA 0.548 nan 4.420 nan 0.000 0.297 138 P C -0.339 176.910 177.300 -0.085 0.000 1.307 138 P CA -0.368 62.694 63.100 -0.063 0.000 0.773 138 P CB 1.442 33.088 31.700 -0.090 0.000 1.265 139 T N -2.134 112.384 114.554 -0.061 0.000 2.754 139 T HA 0.362 4.711 4.350 -0.002 0.000 0.296 139 T C -1.920 172.790 174.700 0.017 0.000 1.205 139 T CA -0.481 61.624 62.100 0.009 0.000 1.009 139 T CB 0.221 69.196 68.868 0.178 0.000 1.368 139 T HN 0.363 nan 8.240 nan 0.000 0.509 140 W N 3.181 124.356 121.300 -0.208 0.000 2.368 140 W HA 0.281 4.940 4.660 -0.001 0.000 0.316 140 W C 1.391 177.762 176.519 -0.248 0.000 1.375 140 W CA -0.687 56.486 57.345 -0.287 0.000 1.261 140 W CB 0.246 29.450 29.460 -0.427 0.000 1.298 140 W HN 0.943 nan 8.180 nan 0.000 0.539 141 E N 2.349 122.321 120.200 -0.380 0.000 2.147 141 E HA -0.397 3.952 4.350 -0.002 0.000 0.199 141 E C 1.532 177.824 176.600 -0.513 0.000 1.005 141 E CA 2.205 58.382 56.400 -0.371 0.000 0.810 141 E CB -0.550 28.966 29.700 -0.307 0.000 0.736 141 E HN 0.485 nan 8.360 nan 0.000 0.460 142 N N -0.072 117.962 118.700 -1.110 0.000 2.453 142 N HA -0.117 4.622 4.740 -0.002 0.000 0.183 142 N C 1.151 176.374 175.510 -0.478 0.000 1.041 142 N CA 1.014 53.453 53.050 -1.020 0.000 0.900 142 N CB -0.163 37.291 38.487 -1.722 0.000 0.961 142 N HN 0.510 nan 8.380 nan 0.000 0.443 143 H N -0.851 118.076 119.070 -0.238 0.000 2.319 143 H HA -0.058 4.497 4.556 -0.001 0.000 0.299 143 H C 1.458 176.860 175.328 0.122 0.000 1.092 143 H CA 1.560 57.657 56.048 0.081 0.000 1.302 143 H CB 0.056 29.878 29.762 0.099 0.000 1.373 143 H HN 0.324 nan 8.280 nan 0.000 0.497 144 N N -0.143 118.631 118.700 0.123 0.000 2.084 144 N HA -0.134 4.605 4.740 -0.002 0.000 0.190 144 N C 2.182 177.746 175.510 0.090 0.000 1.030 144 N CA 1.157 54.258 53.050 0.085 0.000 0.849 144 N CB -0.571 37.917 38.487 0.000 0.000 1.012 144 N HN 0.357 nan 8.380 nan 0.000 0.423 145 G N 0.559 109.357 108.800 -0.004 0.000 2.446 145 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.217 145 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.217 145 G C 1.587 176.495 174.900 0.013 0.000 1.168 145 G CA 1.015 46.099 45.100 -0.026 0.000 0.771 145 G HN 0.180 nan 8.290 nan 0.000 0.551 146 V N 0.203 120.126 119.914 0.015 0.000 2.295 146 V HA -0.118 4.001 4.120 -0.002 0.000 0.246 146 V C 2.530 178.590 176.094 -0.056 0.000 1.049 146 V CA 1.728 64.005 62.300 -0.039 0.000 1.024 146 V CB -0.625 31.150 31.823 -0.080 0.000 0.648 146 V HN 0.336 nan 8.190 nan 0.000 0.447 147 F N 0.403 120.418 119.950 0.109 0.000 2.186 147 F HA -0.137 4.389 4.527 -0.002 0.000 0.299 147 F C 2.576 178.519 175.800 0.237 0.000 1.090 147 F CA 1.776 59.903 58.000 0.212 0.000 1.307 147 F CB -0.992 38.067 39.000 0.099 0.000 1.019 147 F HN 0.072 nan 8.300 nan 0.000 0.489 148 T N -1.016 113.698 114.554 0.268 0.000 2.708 148 T HA -0.167 4.182 4.350 -0.002 0.000 0.266 148 T C 1.980 176.739 174.700 0.098 0.000 1.037 148 T CA 2.025 64.225 62.100 0.166 0.000 1.146 148 T CB -0.580 68.342 68.868 0.091 0.000 0.865 148 T HN 0.243 nan 8.240 nan 0.000 0.435 149 T N 2.041 116.632 114.554 0.061 0.000 2.833 149 T HA 0.017 4.366 4.350 -0.002 0.000 0.269 149 T C 2.284 176.982 174.700 -0.002 0.000 1.054 149 T CA 1.002 63.112 62.100 0.017 0.000 1.135 149 T CB -0.421 68.448 68.868 0.001 0.000 0.869 149 T HN 0.417 nan 8.240 nan 0.000 0.466 150 A N 0.472 123.301 122.820 0.015 0.000 2.168 150 A HA 0.445 4.764 4.320 -0.002 0.000 0.215 150 A C 2.104 179.597 177.584 -0.152 0.000 1.152 150 A CA 1.232 53.249 52.037 -0.034 0.000 0.716 150 A CB -0.725 18.295 19.000 0.034 0.000 0.794 150 A HN 0.772 nan 8.150 nan 0.000 0.465 151 G N -2.618 106.123 108.800 -0.098 0.000 2.192 151 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.193 151 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.193 151 G C -0.017 174.783 174.900 -0.166 0.000 0.999 151 G CA -0.207 44.793 45.100 -0.166 0.000 0.659 151 G HN 0.270 nan 8.290 nan 0.000 0.503 152 F N 1.896 121.897 119.950 0.085 0.000 2.571 152 F HA 0.386 4.912 4.527 -0.002 0.000 0.384 152 F C 1.730 177.563 175.800 0.056 0.000 1.058 152 F CA 0.620 58.677 58.000 0.096 0.000 1.200 152 F CB 0.949 40.051 39.000 0.169 0.000 1.077 152 F HN 0.015 nan 8.300 nan 0.000 0.558 153 K N 0.520 121.041 120.400 0.201 0.000 2.314 153 K HA -0.028 4.291 4.320 -0.002 0.000 0.198 153 K C 0.033 176.688 176.600 0.092 0.000 1.045 153 K CA 0.646 56.998 56.287 0.109 0.000 0.988 153 K CB 0.191 32.731 32.500 0.067 0.000 0.783 153 K HN 0.368 nan 8.250 nan 0.000 0.484 154 D N 1.057 121.522 120.400 0.110 0.000 2.438 154 D HA 0.234 4.873 4.640 -0.002 0.000 0.257 154 D C -1.180 175.088 176.300 -0.054 0.000 1.148 154 D CA -0.356 53.658 54.000 0.024 0.000 0.902 154 D CB 0.311 41.130 40.800 0.032 0.000 1.062 154 D HN -0.022 nan 8.370 nan 0.000 0.518 155 I N 3.731 124.256 120.570 -0.076 0.000 2.321 155 I HA 0.398 4.567 4.170 -0.002 0.000 0.291 155 I C 0.787 176.762 176.117 -0.237 0.000 0.998 155 I CA -0.628 60.576 61.300 -0.159 0.000 1.227 155 I CB 1.117 39.073 38.000 -0.073 0.000 1.368 155 I HN 0.002 nan 8.210 nan 0.000 0.466 156 R N 3.524 123.768 120.500 -0.427 0.000 2.923 156 R HA 0.693 5.032 4.340 -0.002 0.000 0.252 156 R C -0.768 175.319 176.300 -0.355 0.000 1.130 156 R CA -0.911 54.899 56.100 -0.483 0.000 1.043 156 R CB 2.007 31.722 30.300 -0.975 0.000 1.205 156 R HN 0.441 nan 8.270 nan 0.000 0.495 157 S N 0.239 115.832 115.700 -0.179 0.000 2.532 157 S HA 0.497 4.966 4.470 -0.002 0.000 0.301 157 S C -1.476 173.224 174.600 0.167 0.000 1.083 157 S CA -0.691 57.460 58.200 -0.081 0.000 1.025 157 S CB 0.823 63.980 63.200 -0.072 0.000 1.056 157 S HN 0.440 nan 8.310 nan 0.000 0.494 158 Y N 0.357 120.772 120.300 0.191 0.000 2.409 158 Y HA 0.698 5.247 4.550 -0.001 0.000 0.339 158 Y C 0.092 176.051 175.900 0.098 0.000 1.033 158 Y CA -1.395 56.849 58.100 0.240 0.000 1.094 158 Y CB 0.444 39.095 38.460 0.318 0.000 1.210 158 Y HN 0.419 nan 8.280 nan 0.000 0.456 159 R N 1.770 122.451 120.500 0.302 0.000 2.623 159 R HA 0.061 4.400 4.340 -0.002 0.000 0.271 159 R C -0.783 175.648 176.300 0.220 0.000 1.043 159 R CA 0.551 56.771 56.100 0.200 0.000 1.083 159 R CB 0.244 30.651 30.300 0.178 0.000 0.974 159 R HN 0.984 nan 8.270 nan 0.000 0.436 160 Y N 1.172 121.477 120.300 0.008 0.000 3.006 160 Y HA 0.104 4.653 4.550 -0.002 0.000 0.236 160 Y C -0.693 175.244 175.900 0.061 0.000 1.088 160 Y CA -0.194 57.880 58.100 -0.043 0.000 1.307 160 Y CB 0.555 38.888 38.460 -0.212 0.000 1.445 160 Y HN 0.611 nan 8.280 nan 0.000 0.433 161 W N 3.757 125.067 121.300 0.017 0.000 2.417 161 W HA 0.373 5.032 4.660 -0.002 0.000 0.317 161 W C -1.175 175.341 176.519 -0.004 0.000 1.121 161 W CA -0.328 57.006 57.345 -0.019 0.000 1.208 161 W CB 1.322 30.826 29.460 0.073 0.000 1.253 161 W HN 0.078 nan 8.180 nan 0.000 0.533 162 D N 3.941 123.948 120.400 -0.656 0.000 2.427 162 D HA 0.025 4.665 4.640 -0.002 0.000 0.226 162 D C 1.515 177.253 176.300 -0.937 0.000 1.076 162 D CA 0.031 53.691 54.000 -0.568 0.000 0.849 162 D CB 1.460 41.998 40.800 -0.436 0.000 1.052 162 D HN 0.499 nan 8.370 nan 0.000 0.515 163 T N 1.510 115.755 114.554 -0.515 0.000 2.803 163 T HA -0.166 4.183 4.350 -0.002 0.000 0.269 163 T C 1.226 175.780 174.700 -0.245 0.000 1.052 163 T CA 0.953 62.915 62.100 -0.229 0.000 1.136 163 T CB 0.169 69.093 68.868 0.092 0.000 0.864 163 T HN 0.183 nan 8.240 nan 0.000 0.467 164 E N 1.663 121.714 120.200 -0.250 0.000 2.008 164 E HA 0.008 4.357 4.350 -0.002 0.000 0.191 164 E C 2.344 178.795 176.600 -0.248 0.000 0.986 164 E CA 1.061 57.339 56.400 -0.202 0.000 0.807 164 E CB -0.244 29.364 29.700 -0.153 0.000 0.766 164 E HN 0.493 nan 8.360 nan 0.000 0.450 165 K N 0.750 120.972 120.400 -0.296 0.000 2.439 165 K HA 0.040 4.359 4.320 -0.002 0.000 0.197 165 K C 0.137 176.517 176.600 -0.366 0.000 1.041 165 K CA 0.083 56.202 56.287 -0.280 0.000 0.970 165 K CB -0.060 32.291 32.500 -0.249 0.000 0.773 165 K HN 0.139 nan 8.250 nan 0.000 0.479 166 R N 0.119 120.268 120.500 -0.585 0.000 3.267 166 R HA -0.156 4.184 4.340 -0.002 0.000 0.254 166 R C 0.436 176.259 176.300 -0.795 0.000 0.993 166 R CA 0.735 56.373 56.100 -0.769 0.000 0.670 166 R CB -2.375 27.783 30.300 -0.237 0.000 1.125 166 R HN 0.501 nan 8.270 nan 0.000 0.434 167 G N -0.464 107.707 108.800 -1.048 0.000 2.619 167 G HA2 0.470 4.429 3.960 -0.002 0.000 0.305 167 G HA3 0.470 4.429 3.960 -0.002 0.000 0.305 167 G C -1.292 173.351 174.900 -0.428 0.000 1.330 167 G CA -0.999 43.822 45.100 -0.466 0.000 0.789 167 G HN 0.095 nan 8.290 nan 0.000 0.487 168 L N 1.010 122.077 121.223 -0.260 0.000 2.410 168 L HA 0.458 4.797 4.340 -0.002 0.000 0.273 168 L C -0.170 176.540 176.870 -0.268 0.000 1.144 168 L CA -0.442 54.193 54.840 -0.342 0.000 0.863 168 L CB 0.985 42.832 42.059 -0.352 0.000 1.140 168 L HN 0.452 nan 8.230 nan 0.000 0.463 169 D N 4.265 124.524 120.400 -0.235 0.000 2.563 169 D HA 0.007 4.646 4.640 -0.002 0.000 0.222 169 D C 1.023 177.301 176.300 -0.037 0.000 1.145 169 D CA -0.213 53.715 54.000 -0.120 0.000 1.001 169 D CB 0.184 40.941 40.800 -0.070 0.000 1.049 169 D HN 0.613 nan 8.370 nan 0.000 0.515 170 L N 2.673 123.858 121.223 -0.063 0.000 2.079 170 L HA -0.181 4.158 4.340 -0.002 0.000 0.210 170 L C 1.843 178.714 176.870 0.002 0.000 1.081 170 L CA 1.754 56.576 54.840 -0.030 0.000 0.752 170 L CB -0.245 41.759 42.059 -0.092 0.000 0.896 170 L HN 0.282 nan 8.230 nan 0.000 0.433 171 Q N -0.203 119.590 119.800 -0.012 0.000 2.084 171 Q HA -0.080 4.260 4.340 -0.002 0.000 0.202 171 Q C 2.223 178.252 176.000 0.048 0.000 0.978 171 Q CA 1.643 57.445 55.803 -0.001 0.000 0.844 171 Q CB -1.169 27.560 28.738 -0.014 0.000 0.898 171 Q HN 0.619 nan 8.270 nan 0.000 0.426 172 G N 0.394 109.240 108.800 0.077 0.000 2.402 172 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.216 172 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.216 172 G C 1.279 176.322 174.900 0.238 0.000 1.162 172 G CA 0.489 45.666 45.100 0.128 0.000 0.777 172 G HN 0.276 nan 8.290 nan 0.000 0.539 173 F N 1.699 121.683 119.950 0.057 0.000 2.046 173 F HA -0.006 4.520 4.527 -0.002 0.000 0.297 173 F C 2.543 178.338 175.800 -0.009 0.000 1.123 173 F CA 0.986 59.034 58.000 0.080 0.000 1.199 173 F CB -0.918 38.107 39.000 0.042 0.000 0.972 173 F HN 0.057 nan 8.300 nan 0.000 0.474 174 L N -0.567 120.677 121.223 0.035 0.000 2.042 174 L HA -0.263 4.077 4.340 -0.002 0.000 0.210 174 L C 2.768 179.625 176.870 -0.022 0.000 1.076 174 L CA 1.735 56.510 54.840 -0.108 0.000 0.749 174 L CB -1.103 40.879 42.059 -0.129 0.000 0.893 174 L HN 0.228 nan 8.230 nan 0.000 0.432 175 S N -0.381 115.346 115.700 0.045 0.000 2.382 175 S HA -0.207 4.263 4.470 -0.002 0.000 0.228 175 S C 1.633 176.291 174.600 0.097 0.000 1.027 175 S CA 1.613 59.847 58.200 0.057 0.000 0.991 175 S CB -0.215 63.026 63.200 0.068 0.000 0.823 175 S HN 0.392 nan 8.310 nan 0.000 0.469 176 D N 1.137 121.641 120.400 0.173 0.000 2.144 176 D HA -0.017 4.622 4.640 -0.002 0.000 0.200 176 D C 1.929 178.321 176.300 0.152 0.000 0.978 176 D CA 0.855 55.006 54.000 0.251 0.000 0.833 176 D CB -0.346 40.697 40.800 0.406 0.000 0.961 176 D HN 0.401 nan 8.370 nan 0.000 0.470 177 L N 0.868 122.105 121.223 0.024 0.000 2.056 177 L HA -0.115 4.224 4.340 -0.002 0.000 0.207 177 L C 2.373 179.166 176.870 -0.129 0.000 1.078 177 L CA 0.937 55.644 54.840 -0.221 0.000 0.749 177 L CB -0.233 41.591 42.059 -0.392 0.000 0.901 177 L HN -0.069 nan 8.230 nan 0.000 0.433 178 E N 0.157 120.317 120.200 -0.066 0.000 2.153 178 E HA -0.155 4.194 4.350 -0.002 0.000 0.194 178 E C 1.621 178.228 176.600 0.011 0.000 0.988 178 E CA 0.877 57.251 56.400 -0.042 0.000 0.811 178 E CB -0.261 29.423 29.700 -0.027 0.000 0.746 178 E HN 0.535 nan 8.360 nan 0.000 0.466 179 N N 0.627 119.363 118.700 0.059 0.000 2.463 179 N HA 0.021 4.760 4.740 -0.002 0.000 0.181 179 N C 0.367 175.972 175.510 0.158 0.000 1.078 179 N CA 0.191 53.306 53.050 0.109 0.000 0.902 179 N CB 0.235 38.803 38.487 0.135 0.000 0.970 179 N HN -0.012 nan 8.380 nan 0.000 0.451 180 A N 2.329 125.234 122.820 0.142 0.000 2.440 180 A HA 0.360 4.679 4.320 -0.002 0.000 0.251 180 A C -2.151 175.559 177.584 0.210 0.000 1.089 180 A CA -0.958 51.210 52.037 0.218 0.000 0.779 180 A CB -0.091 18.954 19.000 0.076 0.000 1.022 180 A HN -0.041 nan 8.150 nan 0.000 0.492 181 P HA 0.073 nan 4.420 nan 0.000 0.267 181 P C -0.260 177.196 177.300 0.261 0.000 1.200 181 P CA 0.090 63.338 63.100 0.247 0.000 0.772 181 P CB 0.360 32.220 31.700 0.266 0.000 0.855 182 E N 1.716 122.058 120.200 0.237 0.000 2.442 182 E HA -0.033 4.316 4.350 -0.002 0.000 0.262 182 E C -0.102 176.697 176.600 0.331 0.000 1.004 182 E CA 0.383 56.897 56.400 0.190 0.000 0.928 182 E CB -0.195 29.645 29.700 0.235 0.000 0.937 182 E HN 0.405 nan 8.360 nan 0.000 0.446 183 F N -0.837 119.347 119.950 0.390 0.000 2.656 183 F HA -0.281 4.245 4.527 -0.002 0.000 0.381 183 F C 0.862 176.950 175.800 0.480 0.000 0.603 183 F CA 0.555 58.805 58.000 0.417 0.000 1.335 183 F CB -1.857 37.274 39.000 0.218 0.000 1.836 183 F HN 0.227 nan 8.300 nan 0.000 0.290 184 S N 0.902 116.913 115.700 0.518 0.000 2.566 184 S HA 0.410 4.879 4.470 -0.002 0.000 0.280 184 S C 0.415 175.302 174.600 0.478 0.000 1.343 184 S CA -0.124 58.362 58.200 0.477 0.000 1.036 184 S CB 0.627 64.128 63.200 0.501 0.000 0.866 184 S HN 0.214 nan 8.310 nan 0.000 0.526 185 I N 2.396 123.134 120.570 0.281 0.000 2.331 185 I HA 0.327 4.496 4.170 -0.002 0.000 0.292 185 I C -0.869 175.277 176.117 0.048 0.000 0.998 185 I CA -0.136 61.283 61.300 0.199 0.000 1.267 185 I CB 0.685 38.656 38.000 -0.047 0.000 1.386 185 I HN 0.400 nan 8.210 nan 0.000 0.476 186 F N 5.657 125.674 119.950 0.111 0.000 2.426 186 F HA 0.380 4.906 4.527 -0.002 0.000 0.348 186 F C -0.016 175.786 175.800 0.003 0.000 1.124 186 F CA -0.720 57.321 58.000 0.069 0.000 1.008 186 F CB 1.580 40.572 39.000 -0.013 0.000 1.139 186 F HN 0.014 nan 8.300 nan 0.000 0.452 187 V N 6.191 126.114 119.914 0.015 0.000 2.389 187 V HA 0.260 4.379 4.120 -0.002 0.000 0.264 187 V C 0.038 176.184 176.094 0.086 0.000 1.049 187 V CA -0.422 61.800 62.300 -0.129 0.000 0.932 187 V CB 0.390 31.904 31.823 -0.515 0.000 1.011 187 V HN 0.502 nan 8.190 nan 0.000 0.475 188 L N 5.102 126.343 121.223 0.030 0.000 2.317 188 L HA 0.551 4.890 4.340 -0.002 0.000 0.281 188 L C 0.161 177.231 176.870 0.334 0.000 1.024 188 L CA -0.632 54.336 54.840 0.214 0.000 0.810 188 L CB 1.343 43.301 42.059 -0.169 0.000 1.240 188 L HN 0.580 nan 8.230 nan 0.000 0.427 189 H N 2.147 121.457 119.070 0.401 0.000 2.668 189 H HA 0.149 4.705 4.556 -0.002 0.000 0.303 189 H C 0.619 176.308 175.328 0.602 0.000 1.074 189 H CA -0.217 56.084 56.048 0.421 0.000 1.406 189 H CB 1.836 31.792 29.762 0.322 0.000 1.442 189 H HN 0.884 nan 8.280 nan 0.000 0.482 190 A N 3.832 127.016 122.820 0.607 0.000 1.933 190 A HA -0.088 4.232 4.320 -0.002 0.000 0.218 190 A C 1.174 179.028 177.584 0.450 0.000 1.175 190 A CA 1.471 53.770 52.037 0.437 0.000 0.628 190 A CB -0.308 18.781 19.000 0.148 0.000 0.814 190 A HN 0.853 nan 8.150 nan 0.000 0.444 191 C N -6.584 112.995 119.300 0.465 0.000 3.275 191 C HA 0.677 5.136 4.460 -0.002 0.000 0.340 191 C C 0.506 175.732 174.990 0.393 0.000 1.366 191 C CA -0.655 58.624 59.018 0.435 0.000 1.227 191 C CB 0.790 28.726 27.740 0.326 0.000 1.512 191 C HN 2.255 nan 8.230 nan 0.000 0.461 192 A N 1.233 124.239 122.820 0.310 0.000 2.519 192 A HA -0.104 4.215 4.320 -0.002 0.000 0.297 192 A C 0.342 178.023 177.584 0.161 0.000 1.472 192 A CA 1.325 53.462 52.037 0.167 0.000 0.739 192 A CB -2.288 16.733 19.000 0.035 0.000 1.096 192 A HN 2.253 nan 8.150 nan 0.000 0.414 193 H N 0.597 119.759 119.070 0.152 0.000 3.140 193 H HA 0.130 4.685 4.556 -0.002 0.000 0.316 193 H C 0.281 175.577 175.328 -0.053 0.000 0.986 193 H CA 1.628 57.676 56.048 0.000 0.000 1.397 193 H CB 0.418 30.124 29.762 -0.093 0.000 1.377 193 H HN 0.703 nan 8.280 nan 0.000 0.585 194 N N 6.703 125.095 118.700 -0.514 0.000 2.446 194 N HA 0.186 4.925 4.740 -0.002 0.000 0.265 194 N C -2.276 172.930 175.510 -0.507 0.000 0.975 194 N CA -2.254 50.624 53.050 -0.286 0.000 0.928 194 N CB 1.664 40.139 38.487 -0.020 0.000 1.160 194 N HN 0.366 nan 8.380 nan 0.000 0.495 195 P HA 0.115 nan 4.420 nan 0.000 0.275 195 P C 0.719 177.718 177.300 -0.502 0.000 1.310 195 P CA 0.276 63.093 63.100 -0.471 0.000 0.904 195 P CB 0.270 31.645 31.700 -0.542 0.000 1.381 196 T N -3.982 110.307 114.554 -0.442 0.000 3.055 196 T HA 0.126 4.475 4.350 -0.002 0.000 0.265 196 T C 1.655 176.338 174.700 -0.029 0.000 1.111 196 T CA 1.093 62.894 62.100 -0.498 0.000 1.118 196 T CB -1.404 67.183 68.868 -0.469 0.000 0.909 196 T HN 0.170 nan 8.240 nan 0.000 0.501 197 G N 0.929 109.800 108.800 0.118 0.000 2.203 197 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.263 197 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.263 197 G C 0.114 175.142 174.900 0.213 0.000 1.012 197 G CA 0.506 45.706 45.100 0.166 0.000 0.749 197 G HN 0.782 nan 8.290 nan 0.000 0.512 198 T N 0.935 115.644 114.554 0.259 0.000 2.809 198 T HA 0.560 4.909 4.350 -0.002 0.000 0.284 198 T C -0.872 173.993 174.700 0.274 0.000 0.992 198 T CA -0.568 61.687 62.100 0.258 0.000 0.957 198 T CB 1.927 70.984 68.868 0.315 0.000 0.942 198 T HN 0.179 nan 8.240 nan 0.000 0.439 199 D N 3.132 123.670 120.400 0.231 0.000 2.350 199 D HA 0.520 5.159 4.640 -0.002 0.000 0.238 199 D C -2.329 174.020 176.300 0.081 0.000 0.989 199 D CA -1.809 52.347 54.000 0.261 0.000 0.921 199 D CB 1.456 42.465 40.800 0.348 0.000 1.297 199 D HN 0.183 nan 8.370 nan 0.000 0.490 200 P HA 0.153 nan 4.420 nan 0.000 0.272 200 P C -0.060 177.199 177.300 -0.068 0.000 1.223 200 P CA -0.335 62.590 63.100 -0.292 0.000 0.784 200 P CB 0.336 31.494 31.700 -0.904 0.000 0.923 201 T N -0.847 113.691 114.554 -0.027 0.000 2.816 201 T HA 0.227 4.576 4.350 -0.002 0.000 0.282 201 T C -1.864 172.933 174.700 0.161 0.000 0.993 201 T CA -1.614 60.523 62.100 0.062 0.000 0.994 201 T CB -0.055 68.805 68.868 -0.013 0.000 1.025 201 T HN 0.133 nan 8.240 nan 0.000 0.529 202 P HA -0.151 nan 4.420 nan 0.000 0.216 202 P C 1.564 178.882 177.300 0.031 0.000 1.153 202 P CA 1.031 64.059 63.100 -0.120 0.000 0.858 202 P CB 0.048 31.277 31.700 -0.785 0.000 0.789 203 E N 0.014 120.191 120.200 -0.038 0.000 2.106 203 E HA -0.238 4.111 4.350 -0.002 0.000 0.192 203 E C 1.863 178.470 176.600 0.011 0.000 0.984 203 E CA 1.276 57.663 56.400 -0.022 0.000 0.806 203 E CB -0.223 29.450 29.700 -0.046 0.000 0.750 203 E HN 0.334 nan 8.360 nan 0.000 0.458 204 Q N -0.794 119.005 119.800 -0.001 0.000 2.119 204 Q HA -0.138 4.201 4.340 -0.002 0.000 0.201 204 Q C 1.928 177.926 176.000 -0.003 0.000 0.972 204 Q CA 1.444 57.211 55.803 -0.061 0.000 0.847 204 Q CB -0.237 28.417 28.738 -0.140 0.000 0.903 204 Q HN 0.407 nan 8.270 nan 0.000 0.433 205 W N 1.491 122.846 121.300 0.091 0.000 2.363 205 W HA -0.159 4.501 4.660 -0.000 0.000 0.296 205 W C 2.083 178.652 176.519 0.083 0.000 1.212 205 W CA 0.755 58.214 57.345 0.190 0.000 1.260 205 W CB 0.173 29.877 29.460 0.407 0.000 1.131 205 W HN 0.056 nan 8.180 nan 0.000 0.530 206 K N -0.004 120.532 120.400 0.227 0.000 2.147 206 K HA -0.204 4.115 4.320 -0.002 0.000 0.205 206 K C 1.879 178.527 176.600 0.081 0.000 1.049 206 K CA 1.432 57.773 56.287 0.090 0.000 0.936 206 K CB -0.306 32.195 32.500 0.001 0.000 0.722 206 K HN 0.321 nan 8.250 nan 0.000 0.446 207 Q N 0.466 120.280 119.800 0.023 0.000 2.083 207 Q HA -0.078 4.261 4.340 -0.002 0.000 0.198 207 Q C 2.135 178.075 176.000 -0.100 0.000 0.969 207 Q CA 1.100 56.874 55.803 -0.049 0.000 0.838 207 Q CB -0.101 28.586 28.738 -0.086 0.000 0.900 207 Q HN 0.298 nan 8.270 nan 0.000 0.436 208 I N 0.947 121.449 120.570 -0.114 0.000 2.179 208 I HA -0.298 3.871 4.170 -0.002 0.000 0.242 208 I C 2.462 178.531 176.117 -0.080 0.000 1.088 208 I CA 1.102 62.278 61.300 -0.207 0.000 1.357 208 I CB -0.418 37.450 38.000 -0.219 0.000 1.051 208 I HN 0.167 nan 8.210 nan 0.000 0.409 209 A N -0.287 122.527 122.820 -0.010 0.000 1.940 209 A HA -0.265 4.054 4.320 -0.002 0.000 0.219 209 A C 2.485 180.059 177.584 -0.017 0.000 1.176 209 A CA 2.260 54.158 52.037 -0.232 0.000 0.631 209 A CB -0.881 17.853 19.000 -0.443 0.000 0.814 209 A HN 0.426 nan 8.150 nan 0.000 0.446 210 S N -0.596 115.091 115.700 -0.023 0.000 2.370 210 S HA -0.141 4.328 4.470 -0.002 0.000 0.226 210 S C 1.898 176.443 174.600 -0.091 0.000 1.033 210 S CA 1.816 59.990 58.200 -0.044 0.000 1.011 210 S CB -0.512 62.665 63.200 -0.038 0.000 0.852 210 S HN 0.325 nan 8.310 nan 0.000 0.457 211 V N 2.172 122.013 119.914 -0.122 0.000 2.358 211 V HA -0.146 3.973 4.120 -0.002 0.000 0.246 211 V C 2.516 178.505 176.094 -0.175 0.000 1.047 211 V CA 2.043 64.243 62.300 -0.167 0.000 1.035 211 V CB -0.702 30.997 31.823 -0.207 0.000 0.658 211 V HN 0.515 nan 8.190 nan 0.000 0.452 212 M N -0.214 119.317 119.600 -0.114 0.000 2.108 212 M HA -0.246 4.233 4.480 -0.002 0.000 0.261 212 M C 2.355 178.682 176.300 0.044 0.000 1.066 212 M CA 2.050 57.344 55.300 -0.010 0.000 1.107 212 M CB -0.518 32.151 32.600 0.114 0.000 1.356 212 M HN 0.220 nan 8.290 nan 0.000 0.406 213 K N 0.416 120.835 120.400 0.033 0.000 2.026 213 K HA -0.195 4.124 4.320 -0.002 0.000 0.208 213 K C 2.096 178.445 176.600 -0.419 0.000 1.048 213 K CA 1.505 57.607 56.287 -0.308 0.000 0.929 213 K CB -0.084 32.194 32.500 -0.369 0.000 0.713 213 K HN 0.116 nan 8.250 nan 0.000 0.439 214 R N 0.487 120.768 120.500 -0.365 0.000 2.083 214 R HA -0.085 4.255 4.340 -0.002 0.000 0.237 214 R C 1.446 177.277 176.300 -0.782 0.000 1.137 214 R CA 1.689 57.514 56.100 -0.458 0.000 0.951 214 R CB 0.035 30.168 30.300 -0.278 0.000 0.851 214 R HN 0.118 nan 8.270 nan 0.000 0.434 215 R N -0.260 119.875 120.500 -0.609 0.000 2.388 215 R HA 0.074 4.413 4.340 -0.002 0.000 0.247 215 R C -0.447 175.516 176.300 -0.562 0.000 0.931 215 R CA 0.070 55.818 56.100 -0.586 0.000 1.082 215 R CB 0.237 30.390 30.300 -0.246 0.000 1.135 215 R HN 0.182 nan 8.270 nan 0.000 0.525 216 F N 0.184 120.007 119.950 -0.213 0.000 3.039 216 F HA -0.245 4.281 4.527 -0.002 0.000 0.287 216 F C -0.140 175.592 175.800 -0.114 0.000 0.956 216 F CA 0.068 57.897 58.000 -0.285 0.000 0.971 216 F CB -2.292 36.206 39.000 -0.837 0.000 0.943 216 F HN 0.039 nan 8.300 nan 0.000 0.766 217 L N 0.332 121.632 121.223 0.129 0.000 2.349 217 L HA 0.356 4.695 4.340 -0.002 0.000 0.275 217 L C 0.400 177.509 176.870 0.399 0.000 1.115 217 L CA -0.491 54.505 54.840 0.259 0.000 0.820 217 L CB 0.720 42.810 42.059 0.051 0.000 1.135 217 L HN 0.165 nan 8.230 nan 0.000 0.445 218 F N 5.731 125.863 119.950 0.304 0.000 2.411 218 F HA 0.391 4.917 4.527 -0.002 0.000 0.355 218 F C -2.053 173.816 175.800 0.114 0.000 1.117 218 F CA -2.337 55.782 58.000 0.198 0.000 1.139 218 F CB 0.963 39.971 39.000 0.012 0.000 1.120 218 F HN 0.214 nan 8.300 nan 0.000 0.493 219 P HA 0.102 nan 4.420 nan 0.000 0.287 219 P C -1.077 175.936 177.300 -0.479 0.000 1.307 219 P CA -0.039 62.759 63.100 -0.504 0.000 0.777 219 P CB 0.380 31.664 31.700 -0.693 0.000 0.883 220 F N 5.326 125.099 119.950 -0.295 0.000 2.311 220 F HA 0.446 4.973 4.527 -0.001 0.000 0.371 220 F C -0.937 174.794 175.800 -0.114 0.000 1.083 220 F CA -2.122 55.872 58.000 -0.011 0.000 1.113 220 F CB -0.245 38.892 39.000 0.228 0.000 1.349 220 F HN 0.108 nan 8.300 nan 0.000 0.470 221 F N 3.271 123.434 119.950 0.355 0.000 2.429 221 F HA 0.214 4.741 4.527 -0.001 0.000 0.348 221 F C 0.647 176.584 175.800 0.229 0.000 1.109 221 F CA -0.040 58.063 58.000 0.171 0.000 1.232 221 F CB 0.575 39.576 39.000 0.002 0.000 1.157 221 F HN 0.297 nan 8.300 nan 0.000 0.564 222 D N 1.742 122.327 120.400 0.308 0.000 2.441 222 D HA 0.115 4.754 4.640 -0.002 0.000 0.231 222 D C -0.889 175.514 176.300 0.171 0.000 1.073 222 D CA -0.154 53.946 54.000 0.166 0.000 0.850 222 D CB 1.365 42.188 40.800 0.039 0.000 1.062 222 D HN 0.329 nan 8.370 nan 0.000 0.524 223 S N 2.876 118.645 115.700 0.115 0.000 2.468 223 S HA 0.538 5.007 4.470 -0.002 0.000 0.190 223 S C 0.660 175.220 174.600 -0.066 0.000 1.445 223 S CA -0.269 57.967 58.200 0.060 0.000 1.084 223 S CB 0.077 63.290 63.200 0.021 0.000 1.175 223 S HN 0.493 nan 8.310 nan 0.000 0.484 224 A N 2.978 125.720 122.820 -0.130 0.000 2.147 224 A HA 0.326 4.645 4.320 -0.002 0.000 0.211 224 A C 0.365 177.599 177.584 -0.583 0.000 1.160 224 A CA 0.391 52.155 52.037 -0.455 0.000 0.781 224 A CB -0.095 18.450 19.000 -0.758 0.000 0.842 224 A HN 0.766 nan 8.150 nan 0.000 0.475 225 Y N -0.020 120.308 120.300 0.046 0.000 2.713 225 Y HA 0.298 4.847 4.550 -0.002 0.000 0.269 225 Y C 0.571 176.618 175.900 0.245 0.000 1.106 225 Y CA -0.832 57.365 58.100 0.162 0.000 1.174 225 Y CB -0.126 38.394 38.460 0.100 0.000 1.186 225 Y HN 0.345 nan 8.280 nan 0.000 0.555 226 Q N 0.958 120.892 119.800 0.223 0.000 2.262 226 Q HA 0.261 4.600 4.340 -0.002 0.000 0.298 226 Q C 1.176 177.256 176.000 0.133 0.000 1.083 226 Q CA 1.661 57.562 55.803 0.164 0.000 0.962 226 Q CB 0.157 28.955 28.738 0.100 0.000 1.104 226 Q HN 0.834 nan 8.270 nan 0.000 0.376 227 G N 3.337 112.172 108.800 0.059 0.000 2.284 227 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.216 227 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.216 227 G C 0.258 175.032 174.900 -0.208 0.000 1.009 227 G CA 0.109 45.120 45.100 -0.148 0.000 0.625 227 G HN 0.644 nan 8.290 nan 0.000 0.501 228 F N 1.746 121.716 119.950 0.032 0.000 2.664 228 F HA 0.497 5.023 4.527 -0.001 0.000 0.296 228 F C 2.742 178.552 175.800 0.018 0.000 1.125 228 F CA 1.404 59.417 58.000 0.022 0.000 1.444 228 F CB 0.083 39.124 39.000 0.069 0.000 1.114 228 F HN 0.339 nan 8.300 nan 0.000 0.576 229 A N -0.454 122.489 122.820 0.204 0.000 1.930 229 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 229 A C 2.100 179.742 177.584 0.098 0.000 1.175 229 A CA 2.087 54.218 52.037 0.157 0.000 0.627 229 A CB -0.681 18.431 19.000 0.187 0.000 0.815 229 A HN 0.334 nan 8.150 nan 0.000 0.443 230 S N -4.415 111.318 115.700 0.055 0.000 2.728 230 S HA 0.438 4.907 4.470 -0.002 0.000 0.257 230 S C 1.264 175.836 174.600 -0.046 0.000 1.060 230 S CA 1.083 59.291 58.200 0.015 0.000 1.126 230 S CB 0.299 63.516 63.200 0.029 0.000 1.099 230 S HN 1.976 nan 8.310 nan 0.000 0.617 231 G N 1.804 110.540 108.800 -0.108 0.000 2.176 231 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.253 231 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.253 231 G C -0.161 174.622 174.900 -0.195 0.000 0.979 231 G CA 0.196 45.180 45.100 -0.194 0.000 0.641 231 G HN 0.708 nan 8.290 nan 0.000 0.530 232 N N 0.137 118.763 118.700 -0.124 0.000 2.399 232 N HA 0.477 5.216 4.740 -0.002 0.000 0.280 232 N C 1.471 176.944 175.510 -0.062 0.000 1.008 232 N CA -0.550 52.441 53.050 -0.097 0.000 0.894 232 N CB 1.479 39.941 38.487 -0.042 0.000 1.273 232 N HN 0.050 nan 8.380 nan 0.000 0.486 233 L N 2.266 123.437 121.223 -0.087 0.000 2.083 233 L HA -0.110 4.229 4.340 -0.002 0.000 0.209 233 L C 2.019 178.929 176.870 0.068 0.000 1.083 233 L CA 1.003 55.835 54.840 -0.013 0.000 0.752 233 L CB -0.034 42.015 42.059 -0.016 0.000 0.899 233 L HN 0.531 nan 8.230 nan 0.000 0.433 234 E N 0.175 120.422 120.200 0.079 0.000 2.046 234 E HA -0.217 4.132 4.350 -0.002 0.000 0.190 234 E C 2.059 178.733 176.600 0.122 0.000 0.982 234 E CA 0.954 57.418 56.400 0.106 0.000 0.800 234 E CB -0.171 29.591 29.700 0.104 0.000 0.756 234 E HN 0.391 nan 8.360 nan 0.000 0.449 235 K N 0.870 121.330 120.400 0.099 0.000 2.032 235 K HA -0.176 4.144 4.320 -0.002 0.000 0.209 235 K C 1.423 178.118 176.600 0.159 0.000 1.048 235 K CA 1.684 58.042 56.287 0.118 0.000 0.927 235 K CB 0.037 32.575 32.500 0.065 0.000 0.712 235 K HN -0.092 nan 8.250 nan 0.000 0.441 236 D N -0.109 120.364 120.400 0.120 0.000 2.263 236 D HA -0.098 4.541 4.640 -0.002 0.000 0.208 236 D C 1.225 177.593 176.300 0.115 0.000 0.971 236 D CA 1.054 55.135 54.000 0.136 0.000 0.867 236 D CB 0.079 40.949 40.800 0.116 0.000 0.929 236 D HN 0.355 nan 8.370 nan 0.000 0.492 237 A N -0.807 122.065 122.820 0.087 0.000 2.275 237 A HA 0.065 4.384 4.320 -0.002 0.000 0.212 237 A C 1.729 179.282 177.584 -0.052 0.000 1.201 237 A CA -0.300 51.731 52.037 -0.009 0.000 0.843 237 A CB -0.806 18.193 19.000 -0.001 0.000 0.873 237 A HN 0.289 nan 8.150 nan 0.000 0.492 238 W N 1.154 122.409 121.300 -0.076 0.000 2.302 238 W HA -0.343 4.316 4.660 -0.002 0.000 0.320 238 W C 2.221 178.653 176.519 -0.146 0.000 1.241 238 W CA 2.914 60.218 57.345 -0.068 0.000 1.264 238 W CB -0.201 29.248 29.460 -0.018 0.000 1.154 238 W HN 0.360 nan 8.180 nan 0.000 0.483 239 A N 0.122 122.711 122.820 -0.384 0.000 1.908 239 A HA -0.207 4.112 4.320 -0.002 0.000 0.218 239 A C 1.976 179.075 177.584 -0.809 0.000 1.181 239 A CA 2.167 53.697 52.037 -0.845 0.000 0.627 239 A CB -1.080 17.042 19.000 -1.464 0.000 0.818 239 A HN 0.422 nan 8.150 nan 0.000 0.445 240 I N -0.820 119.205 120.570 -0.909 0.000 2.179 240 I HA -0.293 3.876 4.170 -0.002 0.000 0.242 240 I C 2.745 178.567 176.117 -0.493 0.000 1.088 240 I CA 1.627 62.338 61.300 -0.982 0.000 1.357 240 I CB -0.356 37.154 38.000 -0.817 0.000 1.051 240 I HN 0.261 nan 8.210 nan 0.000 0.409 241 R N -0.444 119.798 120.500 -0.431 0.000 2.096 241 R HA -0.217 4.123 4.340 -0.002 0.000 0.235 241 R C 2.384 178.488 176.300 -0.326 0.000 1.127 241 R CA 1.647 57.562 56.100 -0.307 0.000 0.968 241 R CB -0.604 29.547 30.300 -0.249 0.000 0.861 241 R HN 0.354 nan 8.270 nan 0.000 0.440 242 Y N 0.567 120.464 120.300 -0.670 0.000 2.181 242 Y HA -0.220 4.329 4.550 -0.001 0.000 0.288 242 Y C 1.744 177.512 175.900 -0.219 0.000 1.146 242 Y CA 1.374 59.114 58.100 -0.601 0.000 1.164 242 Y CB -0.287 37.459 38.460 -1.190 0.000 0.982 242 Y HN -0.122 nan 8.280 nan 0.000 0.515 243 F N -0.801 118.892 119.950 -0.428 0.000 2.171 243 F HA -0.211 4.315 4.527 -0.002 0.000 0.300 243 F C 2.434 178.176 175.800 -0.097 0.000 1.090 243 F CA 1.500 59.331 58.000 -0.283 0.000 1.293 243 F CB -1.105 37.691 39.000 -0.340 0.000 1.013 243 F HN -0.100 nan 8.300 nan 0.000 0.486 244 V N -0.154 119.769 119.914 0.015 0.000 2.295 244 V HA -0.300 3.820 4.120 -0.002 0.000 0.246 244 V C 2.521 178.585 176.094 -0.050 0.000 1.049 244 V CA 2.070 64.373 62.300 0.006 0.000 1.024 244 V CB -1.213 30.586 31.823 -0.040 0.000 0.648 244 V HN 0.513 nan 8.190 nan 0.000 0.447 245 S N -0.238 115.376 115.700 -0.143 0.000 2.419 245 S HA -0.205 4.264 4.470 -0.002 0.000 0.233 245 S C 1.655 176.137 174.600 -0.197 0.000 1.016 245 S CA 1.365 59.471 58.200 -0.157 0.000 0.974 245 S CB -0.403 62.702 63.200 -0.158 0.000 0.786 245 S HN 0.618 nan 8.310 nan 0.000 0.492 246 E N 0.993 121.028 120.200 -0.275 0.000 2.502 246 E HA 0.177 4.526 4.350 -0.002 0.000 0.194 246 E C 1.339 177.838 176.600 -0.167 0.000 1.062 246 E CA 0.561 56.807 56.400 -0.257 0.000 0.867 246 E CB -0.289 29.213 29.700 -0.330 0.000 0.888 246 E HN 0.774 nan 8.360 nan 0.000 0.510 247 G N 1.172 109.926 108.800 -0.078 0.000 2.137 247 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.237 247 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.237 247 G C 0.015 174.882 174.900 -0.055 0.000 1.002 247 G CA -0.116 44.942 45.100 -0.070 0.000 0.702 247 G HN 0.183 nan 8.290 nan 0.000 0.515 248 F N 1.141 121.072 119.950 -0.032 0.000 2.410 248 F HA 0.466 4.991 4.527 -0.002 0.000 0.334 248 F C 1.174 176.994 175.800 0.033 0.000 1.134 248 F CA -0.082 57.933 58.000 0.025 0.000 1.227 248 F CB 0.689 39.746 39.000 0.095 0.000 1.194 248 F HN 0.114 nan 8.300 nan 0.000 0.571 249 E N 3.292 123.644 120.200 0.253 0.000 2.216 249 E HA 0.582 4.931 4.350 -0.002 0.000 0.279 249 E C -1.153 175.452 176.600 0.009 0.000 0.997 249 E CA -0.677 55.838 56.400 0.191 0.000 0.817 249 E CB 1.604 31.467 29.700 0.271 0.000 1.096 249 E HN 0.412 nan 8.360 nan 0.000 0.393 250 L N -1.112 120.087 121.223 -0.040 0.000 2.892 250 L HA 0.621 4.960 4.340 -0.002 0.000 0.269 250 L C -1.445 175.478 176.870 0.089 0.000 1.058 250 L CA -1.009 53.607 54.840 -0.373 0.000 0.923 250 L CB 0.851 42.814 42.059 -0.161 0.000 1.518 250 L HN 0.216 nan 8.230 nan 0.000 0.402 251 F N 0.296 120.114 119.950 -0.220 0.000 2.522 251 F HA 0.761 5.287 4.527 -0.002 0.000 0.324 251 F C -0.165 175.656 175.800 0.035 0.000 1.077 251 F CA -1.765 56.131 58.000 -0.173 0.000 0.944 251 F CB 1.991 40.602 39.000 -0.648 0.000 1.175 251 F HN 0.828 nan 8.300 nan 0.000 0.468 252 C N 3.160 122.628 119.300 0.279 0.000 2.442 252 C HA 0.834 5.293 4.460 -0.002 0.000 0.335 252 C C -0.344 174.812 174.990 0.277 0.000 1.134 252 C CA -0.483 58.719 59.018 0.306 0.000 1.344 252 C CB -0.617 27.211 27.740 0.146 0.000 1.956 252 C HN 0.923 nan 8.230 nan 0.000 0.438 253 A N 6.188 129.251 122.820 0.405 0.000 2.302 253 A HA 0.580 4.899 4.320 -0.002 0.000 0.295 253 A C -0.143 177.526 177.584 0.141 0.000 1.235 253 A CA -0.018 52.201 52.037 0.303 0.000 0.876 253 A CB 0.256 19.478 19.000 0.369 0.000 1.133 253 A HN 0.918 nan 8.150 nan 0.000 0.533 254 Q N 1.253 121.096 119.800 0.070 0.000 2.274 254 Q HA 0.566 4.905 4.340 -0.002 0.000 0.260 254 Q C -0.377 175.528 176.000 -0.158 0.000 0.974 254 Q CA -0.453 55.292 55.803 -0.096 0.000 0.876 254 Q CB 2.006 30.654 28.738 -0.150 0.000 1.297 254 Q HN 0.653 nan 8.270 nan 0.000 0.446 255 S N 1.234 116.742 115.700 -0.321 0.000 2.482 255 S HA 0.526 4.995 4.470 -0.002 0.000 0.303 255 S C -0.762 173.543 174.600 -0.492 0.000 1.091 255 S CA -0.565 57.474 58.200 -0.268 0.000 1.057 255 S CB 0.471 63.529 63.200 -0.236 0.000 1.031 255 S HN 0.574 nan 8.310 nan 0.000 0.485 256 F N 2.275 122.242 119.950 0.029 0.000 2.639 256 F HA 0.277 4.803 4.527 -0.002 0.000 0.302 256 F C 2.118 177.919 175.800 0.001 0.000 1.097 256 F CA -0.283 57.769 58.000 0.087 0.000 1.294 256 F CB 0.214 39.228 39.000 0.024 0.000 1.027 256 F HN 0.496 nan 8.300 nan 0.000 0.550 257 S N 0.496 116.174 115.700 -0.037 0.000 2.356 257 S HA -0.188 4.281 4.470 -0.002 0.000 0.223 257 S C 1.951 176.190 174.600 -0.602 0.000 1.032 257 S CA 1.575 59.615 58.200 -0.268 0.000 1.005 257 S CB -0.055 63.032 63.200 -0.188 0.000 0.867 257 S HN 0.287 nan 8.310 nan 0.000 0.449 258 K N 1.883 122.096 120.400 -0.312 0.000 2.099 258 K HA 0.092 4.411 4.320 -0.002 0.000 0.203 258 K C 1.723 178.483 176.600 0.267 0.000 1.047 258 K CA 1.069 57.266 56.287 -0.150 0.000 0.963 258 K CB -0.340 32.052 32.500 -0.180 0.000 0.759 258 K HN 0.399 nan 8.250 nan 0.000 0.451 259 N N -0.025 118.910 118.700 0.392 0.000 2.459 259 N HA -0.104 4.635 4.740 -0.002 0.000 0.181 259 N C 0.866 176.622 175.510 0.411 0.000 1.046 259 N CA 1.123 54.438 53.050 0.442 0.000 0.904 259 N CB -0.297 38.438 38.487 0.413 0.000 0.964 259 N HN 0.120 nan 8.380 nan 0.000 0.444 260 F N -0.526 119.588 119.950 0.273 0.000 2.704 260 F HA 0.408 4.934 4.527 -0.002 0.000 0.304 260 F C 1.572 177.389 175.800 0.028 0.000 1.094 260 F CA 0.134 58.234 58.000 0.167 0.000 1.275 260 F CB 0.365 39.379 39.000 0.025 0.000 1.073 260 F HN 0.177 nan 8.300 nan 0.000 0.586 261 G N 1.433 110.278 108.800 0.076 0.000 2.249 261 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.273 261 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.273 261 G C 0.469 175.351 174.900 -0.031 0.000 1.036 261 G CA 0.241 45.321 45.100 -0.034 0.000 0.824 261 G HN 0.393 nan 8.290 nan 0.000 0.504 262 L N -0.097 121.065 121.223 -0.101 0.000 3.034 262 L HA 0.294 4.633 4.340 -0.002 0.000 0.245 262 L C 2.040 178.908 176.870 -0.004 0.000 1.295 262 L CA -0.823 54.016 54.840 -0.000 0.000 1.068 262 L CB -0.339 41.720 42.059 0.001 0.000 1.426 262 L HN 0.327 nan 8.230 nan 0.000 0.531 263 Y N 0.518 120.879 120.300 0.103 0.000 2.062 263 Y HA -0.407 4.143 4.550 -0.001 0.000 0.273 263 Y C 2.315 178.258 175.900 0.072 0.000 1.206 263 Y CA 2.336 60.491 58.100 0.091 0.000 1.125 263 Y CB -0.700 37.821 38.460 0.101 0.000 0.951 263 Y HN 0.566 nan 8.280 nan 0.000 0.501 264 N N -0.568 118.280 118.700 0.247 0.000 2.449 264 N HA -0.076 4.663 4.740 -0.002 0.000 0.191 264 N C 0.683 176.226 175.510 0.055 0.000 1.161 264 N CA 0.390 53.522 53.050 0.138 0.000 0.863 264 N CB 0.062 38.625 38.487 0.127 0.000 0.980 264 N HN 0.308 nan 8.380 nan 0.000 0.458 265 E N 0.807 121.021 120.200 0.024 0.000 2.498 265 E HA 0.064 4.413 4.350 -0.002 0.000 0.203 265 E C -0.166 176.381 176.600 -0.089 0.000 1.013 265 E CA -0.141 56.231 56.400 -0.046 0.000 0.927 265 E CB 0.293 29.951 29.700 -0.070 0.000 1.012 265 E HN 0.230 nan 8.360 nan 0.000 0.482 266 R N 0.073 120.541 120.500 -0.052 0.000 3.127 266 R HA -0.123 4.216 4.340 -0.002 0.000 0.247 266 R C -0.606 175.613 176.300 -0.136 0.000 0.896 266 R CA 0.242 56.294 56.100 -0.080 0.000 0.624 266 R CB -3.127 27.101 30.300 -0.120 0.000 1.154 266 R HN -0.083 nan 8.270 nan 0.000 0.474 267 V N 0.144 120.007 119.914 -0.084 0.000 2.328 267 V HA 0.822 4.941 4.120 -0.002 0.000 0.278 267 V C 1.198 177.403 176.094 0.186 0.000 1.021 267 V CA -0.003 62.240 62.300 -0.094 0.000 0.838 267 V CB 1.958 33.677 31.823 -0.173 0.000 0.999 267 V HN 0.609 nan 8.190 nan 0.000 0.447 268 G N 3.244 112.162 108.800 0.196 0.000 2.725 268 G HA2 0.591 4.550 3.960 -0.002 0.000 0.288 268 G HA3 0.591 4.550 3.960 -0.002 0.000 0.288 268 G C -1.686 173.499 174.900 0.475 0.000 1.399 268 G CA -0.697 44.607 45.100 0.339 0.000 0.859 268 G HN 0.596 nan 8.290 nan 0.000 0.479 269 N N -0.490 118.455 118.700 0.408 0.000 2.324 269 N HA 0.332 5.071 4.740 -0.002 0.000 0.285 269 N C -1.918 173.708 175.510 0.194 0.000 1.076 269 N CA -0.605 52.652 53.050 0.344 0.000 0.864 269 N CB 2.679 41.356 38.487 0.317 0.000 1.632 269 N HN 0.384 nan 8.380 nan 0.000 0.478 270 L N 3.012 124.316 121.223 0.135 0.000 2.264 270 L HA 0.443 4.782 4.340 -0.002 0.000 0.287 270 L C -0.439 176.412 176.870 -0.031 0.000 1.039 270 L CA 0.122 54.990 54.840 0.046 0.000 0.829 270 L CB 0.865 42.907 42.059 -0.028 0.000 1.211 270 L HN 0.432 nan 8.230 nan 0.000 0.427 271 T N 4.492 119.041 114.554 -0.008 0.000 2.806 271 T HA 0.540 4.889 4.350 -0.002 0.000 0.290 271 T C -0.417 174.260 174.700 -0.039 0.000 0.966 271 T CA -0.264 61.823 62.100 -0.021 0.000 1.060 271 T CB 1.117 69.990 68.868 0.009 0.000 0.927 271 T HN 0.339 nan 8.240 nan 0.000 0.485 272 V N 4.272 124.158 119.914 -0.046 0.000 2.495 272 V HA 0.512 4.632 4.120 -0.002 0.000 0.298 272 V C -0.304 175.843 176.094 0.088 0.000 1.031 272 V CA -0.747 61.576 62.300 0.038 0.000 0.871 272 V CB 1.969 33.744 31.823 -0.080 0.000 0.988 272 V HN 0.651 nan 8.190 nan 0.000 0.432 273 V N 4.068 124.078 119.914 0.159 0.000 2.444 273 V HA 0.848 4.967 4.120 -0.002 0.000 0.294 273 V C 0.287 176.468 176.094 0.146 0.000 1.022 273 V CA -0.276 62.092 62.300 0.113 0.000 0.850 273 V CB 1.476 33.351 31.823 0.087 0.000 0.992 273 V HN 1.035 nan 8.190 nan 0.000 0.426 274 A N 4.230 127.119 122.820 0.114 0.000 2.346 274 A HA 0.681 5.000 4.320 -0.002 0.000 0.313 274 A C 0.846 178.485 177.584 0.093 0.000 1.140 274 A CA -0.620 51.492 52.037 0.125 0.000 0.826 274 A CB 1.328 20.395 19.000 0.110 0.000 1.332 274 A HN 0.733 nan 8.150 nan 0.000 0.457 275 K N -0.207 120.250 120.400 0.094 0.000 2.097 275 K HA -0.056 4.263 4.320 -0.002 0.000 0.205 275 K C 0.432 177.061 176.600 0.047 0.000 1.050 275 K CA 1.508 57.835 56.287 0.066 0.000 0.938 275 K CB 0.160 32.702 32.500 0.068 0.000 0.718 275 K HN 0.801 nan 8.250 nan 0.000 0.442 276 E N -0.636 119.593 120.200 0.048 0.000 2.393 276 E HA 0.150 4.499 4.350 -0.002 0.000 0.273 276 E C -2.686 173.932 176.600 0.030 0.000 0.918 276 E CA -1.927 54.492 56.400 0.033 0.000 0.773 276 E CB 1.937 31.654 29.700 0.029 0.000 1.275 276 E HN -0.262 nan 8.360 nan 0.000 0.451 277 P HA -0.126 nan 4.420 nan 0.000 0.216 277 P C 0.659 177.966 177.300 0.012 0.000 1.150 277 P CA 1.264 64.372 63.100 0.014 0.000 0.837 277 P CB 0.174 31.879 31.700 0.008 0.000 0.786 278 D N -0.544 119.864 120.400 0.012 0.000 2.123 278 D HA -0.113 4.527 4.640 -0.002 0.000 0.196 278 D C 1.974 178.280 176.300 0.010 0.000 0.992 278 D CA 1.183 55.188 54.000 0.007 0.000 0.833 278 D CB -0.458 40.346 40.800 0.006 0.000 0.954 278 D HN 0.131 nan 8.370 nan 0.000 0.455 279 S N 0.631 116.345 115.700 0.022 0.000 2.370 279 S HA -0.123 4.346 4.470 -0.002 0.000 0.226 279 S C 2.110 176.724 174.600 0.024 0.000 1.033 279 S CA 0.438 58.658 58.200 0.034 0.000 1.011 279 S CB -0.067 63.171 63.200 0.063 0.000 0.852 279 S HN 0.218 nan 8.310 nan 0.000 0.457 280 I N 1.557 122.138 120.570 0.020 0.000 2.163 280 I HA -0.157 4.013 4.170 -0.002 0.000 0.243 280 I C 2.190 178.299 176.117 -0.013 0.000 1.085 280 I CA 1.171 62.472 61.300 0.002 0.000 1.347 280 I CB -1.286 36.715 38.000 0.003 0.000 1.044 280 I HN 0.293 nan 8.210 nan 0.000 0.408 281 L N 0.641 121.858 121.223 -0.009 0.000 2.012 281 L HA -0.214 4.125 4.340 -0.002 0.000 0.210 281 L C 2.777 179.633 176.870 -0.023 0.000 1.073 281 L CA 1.862 56.693 54.840 -0.015 0.000 0.748 281 L CB -1.121 40.931 42.059 -0.012 0.000 0.891 281 L HN 0.327 nan 8.230 nan 0.000 0.431 282 R N -1.233 119.252 120.500 -0.024 0.000 2.075 282 R HA -0.104 4.235 4.340 -0.002 0.000 0.232 282 R C 2.207 178.485 176.300 -0.037 0.000 1.126 282 R CA 1.051 57.123 56.100 -0.046 0.000 0.963 282 R CB -0.506 29.761 30.300 -0.056 0.000 0.858 282 R HN 0.197 nan 8.270 nan 0.000 0.435 283 V N 1.944 121.853 119.914 -0.009 0.000 2.261 283 V HA -0.239 3.880 4.120 -0.002 0.000 0.246 283 V C 2.407 178.472 176.094 -0.047 0.000 1.047 283 V CA 1.729 64.019 62.300 -0.016 0.000 1.015 283 V CB -0.467 31.275 31.823 -0.136 0.000 0.642 283 V HN 0.282 nan 8.190 nan 0.000 0.446 284 L N 0.808 121.995 121.223 -0.059 0.000 2.079 284 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 284 L C 2.763 179.628 176.870 -0.008 0.000 1.081 284 L CA 1.890 56.703 54.840 -0.044 0.000 0.752 284 L CB -0.847 41.190 42.059 -0.037 0.000 0.896 284 L HN 0.594 nan 8.230 nan 0.000 0.433 285 S N -0.785 114.910 115.700 -0.010 0.000 2.382 285 S HA -0.216 4.253 4.470 -0.002 0.000 0.228 285 S C 1.925 176.536 174.600 0.018 0.000 1.027 285 S CA 0.890 59.086 58.200 -0.006 0.000 0.991 285 S CB -0.216 62.968 63.200 -0.027 0.000 0.823 285 S HN 0.421 nan 8.310 nan 0.000 0.469 286 Q N 0.472 120.299 119.800 0.045 0.000 2.137 286 Q HA 0.196 4.535 4.340 -0.002 0.000 0.198 286 Q C 2.242 178.377 176.000 0.226 0.000 0.960 286 Q CA 0.974 56.855 55.803 0.131 0.000 0.847 286 Q CB -0.452 28.333 28.738 0.079 0.000 0.915 286 Q HN 0.624 nan 8.270 nan 0.000 0.448 287 M N 0.489 120.202 119.600 0.188 0.000 2.159 287 M HA -0.206 4.273 4.480 -0.002 0.000 0.263 287 M C 2.115 178.446 176.300 0.051 0.000 1.063 287 M CA 1.417 56.794 55.300 0.129 0.000 1.110 287 M CB -0.056 32.551 32.600 0.012 0.000 1.374 287 M HN 0.198 nan 8.290 nan 0.000 0.411 288 Q N -0.016 119.803 119.800 0.031 0.000 2.096 288 Q HA -0.226 4.113 4.340 -0.002 0.000 0.204 288 Q C 1.918 177.909 176.000 -0.015 0.000 0.982 288 Q CA 1.591 57.394 55.803 0.000 0.000 0.850 288 Q CB -0.090 28.649 28.738 0.002 0.000 0.901 288 Q HN 0.482 nan 8.270 nan 0.000 0.422 289 K N 0.279 120.691 120.400 0.021 0.000 2.057 289 K HA -0.134 4.185 4.320 -0.002 0.000 0.207 289 K C 1.963 178.553 176.600 -0.017 0.000 1.049 289 K CA 1.186 57.483 56.287 0.016 0.000 0.931 289 K CB -0.085 32.455 32.500 0.066 0.000 0.714 289 K HN 0.191 nan 8.250 nan 0.000 0.440 290 I N 0.299 120.869 120.570 -0.000 0.000 2.202 290 I HA -0.257 3.912 4.170 -0.002 0.000 0.242 290 I C 2.153 178.143 176.117 -0.213 0.000 1.091 290 I CA 0.932 62.197 61.300 -0.058 0.000 1.368 290 I CB -0.250 37.761 38.000 0.019 0.000 1.058 290 I HN -0.069 nan 8.210 nan 0.000 0.410 291 V N 0.803 120.560 119.914 -0.262 0.000 2.295 291 V HA -0.306 3.813 4.120 -0.002 0.000 0.246 291 V C 2.644 178.489 176.094 -0.414 0.000 1.049 291 V CA 1.934 63.928 62.300 -0.508 0.000 1.024 291 V CB -0.767 30.867 31.823 -0.315 0.000 0.648 291 V HN 0.395 nan 8.190 nan 0.000 0.447 292 R N 0.277 120.651 120.500 -0.211 0.000 2.103 292 R HA -0.165 4.174 4.340 -0.002 0.000 0.242 292 R C 1.937 178.156 176.300 -0.135 0.000 1.142 292 R CA 2.111 58.126 56.100 -0.142 0.000 0.960 292 R CB -0.207 30.041 30.300 -0.087 0.000 0.858 292 R HN 0.595 nan 8.270 nan 0.000 0.439 293 V N -3.011 116.818 119.914 -0.141 0.000 3.633 293 V HA 0.156 4.275 4.120 -0.002 0.000 0.283 293 V C 0.891 176.912 176.094 -0.122 0.000 1.305 293 V CA 0.864 63.101 62.300 -0.105 0.000 1.153 293 V CB 0.704 32.481 31.823 -0.077 0.000 0.950 293 V HN 0.166 nan 8.190 nan 0.000 0.432 294 T N 0.152 114.575 114.554 -0.218 0.000 3.156 294 T HA 0.153 4.502 4.350 -0.002 0.000 0.236 294 T C 0.990 175.664 174.700 -0.044 0.000 0.978 294 T CA 1.173 63.141 62.100 -0.220 0.000 1.240 294 T CB -0.043 68.532 68.868 -0.488 0.000 0.951 294 T HN 0.860 nan 8.240 nan 0.000 0.420 295 W N 0.248 121.552 121.300 0.007 0.000 2.534 295 W HA 0.745 5.403 4.660 -0.002 0.000 0.339 295 W C 0.976 177.492 176.519 -0.005 0.000 0.961 295 W CA -0.186 57.162 57.345 0.005 0.000 1.545 295 W CB -0.149 29.317 29.460 0.010 0.000 1.104 295 W HN 0.315 nan 8.180 nan 0.000 0.538 296 S N 1.047 116.766 115.700 0.032 0.000 1.476 296 S HA -0.329 4.141 4.470 -0.002 0.000 0.242 296 S C 0.106 174.742 174.600 0.061 0.000 0.711 296 S CA 2.241 60.442 58.200 0.001 0.000 1.268 296 S CB -1.784 61.408 63.200 -0.012 0.000 1.523 296 S HN 0.897 nan 8.310 nan 0.000 0.510 297 N N 0.785 119.636 118.700 0.251 0.000 2.745 297 N HA 0.667 5.406 4.740 -0.002 0.000 0.256 297 N C -3.335 172.373 175.510 0.330 0.000 1.268 297 N CA -1.109 52.099 53.050 0.263 0.000 0.887 297 N CB 1.530 40.085 38.487 0.114 0.000 1.575 297 N HN 0.299 nan 8.380 nan 0.000 0.496 298 P HA 0.463 nan 4.420 nan 0.000 0.281 298 P C -2.694 174.568 177.300 -0.063 0.000 1.264 298 P CA -1.274 61.794 63.100 -0.054 0.000 0.824 298 P CB 0.508 32.163 31.700 -0.076 0.000 1.092 299 P HA 0.160 nan 4.420 nan 0.000 0.274 299 P C 0.065 177.283 177.300 -0.137 0.000 1.231 299 P CA -0.187 62.846 63.100 -0.111 0.000 0.790 299 P CB 0.716 32.333 31.700 -0.137 0.000 0.951 300 A N 1.324 124.091 122.820 -0.089 0.000 1.956 300 A HA -0.086 4.233 4.320 -0.002 0.000 0.212 300 A C 2.251 179.750 177.584 -0.142 0.000 1.188 300 A CA 1.005 52.977 52.037 -0.109 0.000 0.675 300 A CB -0.959 18.018 19.000 -0.039 0.000 0.845 300 A HN 0.534 nan 8.150 nan 0.000 0.455 301 Q N 0.517 120.255 119.800 -0.103 0.000 2.029 301 Q HA -0.138 4.201 4.340 -0.002 0.000 0.209 301 Q C 1.921 177.818 176.000 -0.172 0.000 0.999 301 Q CA 2.771 58.510 55.803 -0.105 0.000 0.857 301 Q CB -1.080 27.620 28.738 -0.063 0.000 0.926 301 Q HN 0.476 nan 8.270 nan 0.000 0.415 302 G N -0.346 108.325 108.800 -0.216 0.000 2.421 302 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.216 302 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.216 302 G C 1.499 176.136 174.900 -0.438 0.000 1.171 302 G CA 1.177 46.104 45.100 -0.288 0.000 0.775 302 G HN 0.575 nan 8.290 nan 0.000 0.543 303 A N 0.669 123.158 122.820 -0.552 0.000 1.933 303 A HA -0.017 4.302 4.320 -0.002 0.000 0.218 303 A C 2.441 179.798 177.584 -0.378 0.000 1.175 303 A CA 1.657 53.221 52.037 -0.789 0.000 0.628 303 A CB -0.376 18.075 19.000 -0.915 0.000 0.814 303 A HN 0.371 nan 8.150 nan 0.000 0.444 304 R N -0.655 119.685 120.500 -0.267 0.000 2.081 304 R HA -0.043 4.296 4.340 -0.002 0.000 0.235 304 R C 1.989 178.184 176.300 -0.175 0.000 1.131 304 R CA 1.590 57.589 56.100 -0.168 0.000 0.960 304 R CB -0.470 29.752 30.300 -0.130 0.000 0.856 304 R HN 0.580 nan 8.270 nan 0.000 0.436 305 I N 0.072 120.510 120.570 -0.221 0.000 2.179 305 I HA -0.260 3.910 4.170 -0.002 0.000 0.242 305 I C 2.241 178.161 176.117 -0.327 0.000 1.088 305 I CA 1.163 62.334 61.300 -0.215 0.000 1.357 305 I CB -0.235 37.647 38.000 -0.196 0.000 1.051 305 I HN -0.031 nan 8.210 nan 0.000 0.409 306 V N 0.964 120.549 119.914 -0.549 0.000 2.358 306 V HA -0.274 3.845 4.120 -0.002 0.000 0.246 306 V C 2.692 178.548 176.094 -0.396 0.000 1.047 306 V CA 1.939 63.728 62.300 -0.851 0.000 1.035 306 V CB -1.029 30.103 31.823 -1.152 0.000 0.658 306 V HN 0.490 nan 8.190 nan 0.000 0.452 307 A N 0.051 122.761 122.820 -0.185 0.000 1.902 307 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 307 A C 2.385 179.922 177.584 -0.079 0.000 1.181 307 A CA 1.742 53.724 52.037 -0.091 0.000 0.623 307 A CB -0.489 18.501 19.000 -0.016 0.000 0.818 307 A HN 0.496 nan 8.150 nan 0.000 0.443 308 R N -0.944 119.508 120.500 -0.081 0.000 2.096 308 R HA -0.088 4.251 4.340 -0.002 0.000 0.235 308 R C 2.223 178.521 176.300 -0.002 0.000 1.127 308 R CA 1.795 57.872 56.100 -0.039 0.000 0.968 308 R CB -0.741 29.534 30.300 -0.043 0.000 0.861 308 R HN 0.550 nan 8.270 nan 0.000 0.440 309 T N 1.633 116.182 114.554 -0.009 0.000 2.770 309 T HA -0.021 4.329 4.350 -0.002 0.000 0.263 309 T C 1.854 176.650 174.700 0.159 0.000 1.039 309 T CA 0.922 63.066 62.100 0.073 0.000 1.142 309 T CB -0.079 68.853 68.868 0.107 0.000 0.868 309 T HN 0.133 nan 8.240 nan 0.000 0.435 310 L N 1.726 123.022 121.223 0.122 0.000 2.376 310 L HA 0.036 4.375 4.340 -0.002 0.000 0.219 310 L C 2.431 179.373 176.870 0.121 0.000 1.133 310 L CA 0.880 55.873 54.840 0.255 0.000 0.816 310 L CB -0.502 41.629 42.059 0.120 0.000 0.933 310 L HN 0.355 nan 8.230 nan 0.000 0.449 311 S N -3.058 112.676 115.700 0.056 0.000 2.540 311 S HA 0.023 4.492 4.470 -0.002 0.000 0.218 311 S C 0.528 175.144 174.600 0.027 0.000 0.977 311 S CA -0.436 57.769 58.200 0.009 0.000 0.918 311 S CB 0.035 63.225 63.200 -0.016 0.000 0.806 311 S HN 0.241 nan 8.310 nan 0.000 0.496 312 D N 2.178 122.624 120.400 0.078 0.000 2.441 312 D HA 0.402 5.041 4.640 -0.002 0.000 0.231 312 D C -2.108 174.283 176.300 0.153 0.000 1.073 312 D CA -2.332 51.720 54.000 0.087 0.000 0.850 312 D CB 1.919 42.765 40.800 0.078 0.000 1.062 312 D HN -0.081 nan 8.370 nan 0.000 0.524 313 P HA -0.192 nan 4.420 nan 0.000 0.217 313 P C 1.100 178.539 177.300 0.231 0.000 1.151 313 P CA 1.132 64.317 63.100 0.143 0.000 0.849 313 P CB 0.337 32.068 31.700 0.051 0.000 0.787 314 E N -0.765 119.537 120.200 0.171 0.000 2.072 314 E HA -0.160 4.189 4.350 -0.002 0.000 0.190 314 E C 1.718 178.452 176.600 0.223 0.000 0.982 314 E CA 0.919 57.427 56.400 0.180 0.000 0.803 314 E CB -0.482 29.286 29.700 0.114 0.000 0.755 314 E HN 0.007 nan 8.360 nan 0.000 0.453 315 L N 0.487 121.828 121.223 0.196 0.000 2.056 315 L HA -0.067 4.272 4.340 -0.002 0.000 0.207 315 L C 2.263 179.281 176.870 0.246 0.000 1.078 315 L CA 1.437 56.384 54.840 0.178 0.000 0.749 315 L CB -1.179 40.963 42.059 0.138 0.000 0.901 315 L HN 0.262 nan 8.230 nan 0.000 0.433 316 F N -0.172 119.887 119.950 0.182 0.000 2.126 316 F HA -0.303 4.224 4.527 0.000 0.000 0.299 316 F C 2.821 178.791 175.800 0.283 0.000 1.096 316 F CA 2.094 60.253 58.000 0.265 0.000 1.255 316 F CB -0.311 38.817 39.000 0.212 0.000 0.997 316 F HN 0.317 nan 8.300 nan 0.000 0.479 317 H N -0.029 119.201 119.070 0.266 0.000 2.321 317 H HA -0.163 4.392 4.556 -0.001 0.000 0.300 317 H C 2.310 177.639 175.328 0.000 0.000 1.087 317 H CA 2.265 58.388 56.048 0.125 0.000 1.319 317 H CB -0.522 29.328 29.762 0.147 0.000 1.379 317 H HN 0.507 nan 8.280 nan 0.000 0.501 318 E N -0.858 119.329 120.200 -0.022 0.000 2.085 318 E HA -0.228 4.121 4.350 -0.002 0.000 0.194 318 E C 1.969 178.485 176.600 -0.138 0.000 0.994 318 E CA 1.255 57.594 56.400 -0.101 0.000 0.801 318 E CB -0.403 29.308 29.700 0.019 0.000 0.743 318 E HN 0.652 nan 8.360 nan 0.000 0.453 319 W N 1.712 122.834 121.300 -0.298 0.000 2.355 319 W HA -0.205 4.454 4.660 -0.002 0.000 0.309 319 W C 2.455 178.699 176.519 -0.458 0.000 1.206 319 W CA 3.029 60.125 57.345 -0.414 0.000 1.284 319 W CB -0.962 28.198 29.460 -0.500 0.000 1.145 319 W HN 0.161 nan 8.180 nan 0.000 0.502 320 T N -2.073 112.035 114.554 -0.743 0.000 2.803 320 T HA -0.122 4.227 4.350 -0.002 0.000 0.269 320 T C 2.020 176.351 174.700 -0.614 0.000 1.052 320 T CA 1.757 63.340 62.100 -0.862 0.000 1.136 320 T CB -1.362 67.151 68.868 -0.592 0.000 0.864 320 T HN 0.241 nan 8.240 nan 0.000 0.467 321 G N 1.451 109.966 108.800 -0.476 0.000 2.402 321 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.216 321 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.216 321 G C 1.595 176.340 174.900 -0.259 0.000 1.162 321 G CA 0.745 45.646 45.100 -0.332 0.000 0.777 321 G HN 0.671 nan 8.290 nan 0.000 0.539 322 N N -0.061 118.480 118.700 -0.265 0.000 2.166 322 N HA -0.097 4.642 4.740 -0.002 0.000 0.186 322 N C 2.182 177.558 175.510 -0.224 0.000 1.019 322 N CA 0.915 53.898 53.050 -0.112 0.000 0.856 322 N CB -0.047 38.330 38.487 -0.183 0.000 0.993 322 N HN 0.181 nan 8.380 nan 0.000 0.426 323 V N 1.451 121.035 119.914 -0.551 0.000 2.307 323 V HA -0.217 3.902 4.120 -0.002 0.000 0.245 323 V C 2.294 178.077 176.094 -0.518 0.000 1.045 323 V CA 1.512 63.413 62.300 -0.666 0.000 1.024 323 V CB -0.420 30.822 31.823 -0.968 0.000 0.651 323 V HN 0.228 nan 8.190 nan 0.000 0.449 324 K N 0.474 120.621 120.400 -0.423 0.000 2.063 324 K HA -0.182 4.137 4.320 -0.002 0.000 0.208 324 K C 2.094 178.557 176.600 -0.228 0.000 1.048 324 K CA 2.244 58.354 56.287 -0.296 0.000 0.928 324 K CB -0.862 31.494 32.500 -0.241 0.000 0.713 324 K HN 0.469 nan 8.250 nan 0.000 0.442 325 T N 1.127 115.564 114.554 -0.195 0.000 2.665 325 T HA -0.199 4.150 4.350 -0.002 0.000 0.268 325 T C 1.796 176.377 174.700 -0.199 0.000 1.035 325 T CA 2.056 64.058 62.100 -0.163 0.000 1.151 325 T CB -0.207 68.590 68.868 -0.117 0.000 0.862 325 T HN 0.248 nan 8.240 nan 0.000 0.438 326 M N 0.762 120.190 119.600 -0.286 0.000 2.086 326 M HA -0.056 4.423 4.480 -0.002 0.000 0.261 326 M C 2.874 179.108 176.300 -0.111 0.000 1.067 326 M CA 1.677 56.757 55.300 -0.367 0.000 1.116 326 M CB -0.551 31.683 32.600 -0.609 0.000 1.348 326 M HN 0.310 nan 8.290 nan 0.000 0.407 327 A N 0.414 123.106 122.820 -0.214 0.000 1.902 327 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 327 A C 1.716 179.276 177.584 -0.040 0.000 1.181 327 A CA 2.020 53.990 52.037 -0.111 0.000 0.623 327 A CB -0.741 18.136 19.000 -0.206 0.000 0.818 327 A HN 0.378 nan 8.150 nan 0.000 0.443 328 D N -0.800 119.556 120.400 -0.074 0.000 2.123 328 D HA -0.150 4.489 4.640 -0.002 0.000 0.196 328 D C 2.069 178.361 176.300 -0.013 0.000 0.992 328 D CA 1.199 55.172 54.000 -0.046 0.000 0.833 328 D CB -0.320 40.441 40.800 -0.066 0.000 0.954 328 D HN 0.482 nan 8.370 nan 0.000 0.455 329 R N 0.247 120.751 120.500 0.007 0.000 2.096 329 R HA -0.057 4.282 4.340 -0.002 0.000 0.235 329 R C 2.367 178.701 176.300 0.057 0.000 1.127 329 R CA 0.706 56.829 56.100 0.039 0.000 0.968 329 R CB -0.219 30.141 30.300 0.100 0.000 0.861 329 R HN 0.188 nan 8.270 nan 0.000 0.440 330 I N 0.750 121.375 120.570 0.093 0.000 2.226 330 I HA -0.311 3.858 4.170 -0.002 0.000 0.245 330 I C 2.201 178.343 176.117 0.041 0.000 1.100 330 I CA 1.124 62.473 61.300 0.081 0.000 1.374 330 I CB -0.197 37.875 38.000 0.120 0.000 1.057 330 I HN 0.221 nan 8.210 nan 0.000 0.413 331 L N -0.074 121.168 121.223 0.031 0.000 2.042 331 L HA -0.270 4.069 4.340 -0.002 0.000 0.210 331 L C 2.774 179.651 176.870 0.012 0.000 1.076 331 L CA 1.712 56.564 54.840 0.020 0.000 0.749 331 L CB -0.598 41.466 42.059 0.009 0.000 0.893 331 L HN 0.307 nan 8.230 nan 0.000 0.432 332 S N -0.438 115.265 115.700 0.006 0.000 2.368 332 S HA -0.190 4.279 4.470 -0.002 0.000 0.225 332 S C 2.060 176.658 174.600 -0.003 0.000 1.030 332 S CA 1.145 59.344 58.200 -0.002 0.000 0.999 332 S CB -0.010 63.184 63.200 -0.010 0.000 0.844 332 S HN 0.249 nan 8.310 nan 0.000 0.459 333 M N 0.942 120.542 119.600 -0.001 0.000 2.254 333 M HA 0.076 4.555 4.480 -0.002 0.000 0.265 333 M C 2.222 178.520 176.300 -0.004 0.000 1.066 333 M CA 1.069 56.365 55.300 -0.007 0.000 1.123 333 M CB -1.185 31.409 32.600 -0.009 0.000 1.388 333 M HN 0.382 nan 8.290 nan 0.000 0.425 334 R N -0.369 120.135 120.500 0.006 0.000 2.081 334 R HA -0.070 4.269 4.340 -0.002 0.000 0.235 334 R C 2.470 178.773 176.300 0.006 0.000 1.131 334 R CA 1.632 57.738 56.100 0.011 0.000 0.960 334 R CB -0.311 30.003 30.300 0.024 0.000 0.856 334 R HN 0.302 nan 8.270 nan 0.000 0.436 335 S N 0.766 116.470 115.700 0.006 0.000 2.348 335 S HA -0.120 4.350 4.470 -0.002 0.000 0.221 335 S C 1.717 176.314 174.600 -0.005 0.000 1.033 335 S CA 1.134 59.337 58.200 0.006 0.000 1.010 335 S CB -0.126 63.077 63.200 0.005 0.000 0.891 335 S HN 0.262 nan 8.310 nan 0.000 0.442 336 E N 1.140 121.333 120.200 -0.012 0.000 2.085 336 E HA -0.096 4.253 4.350 -0.002 0.000 0.194 336 E C 2.094 178.672 176.600 -0.036 0.000 0.994 336 E CA 0.634 57.021 56.400 -0.022 0.000 0.801 336 E CB -0.661 29.026 29.700 -0.022 0.000 0.743 336 E HN 0.349 nan 8.360 nan 0.000 0.453 337 L N 1.083 122.282 121.223 -0.040 0.000 2.093 337 L HA -0.078 4.261 4.340 -0.002 0.000 0.208 337 L C 2.423 179.236 176.870 -0.094 0.000 1.085 337 L CA 1.612 56.410 54.840 -0.070 0.000 0.755 337 L CB -0.290 41.731 42.059 -0.063 0.000 0.904 337 L HN -0.032 nan 8.230 nan 0.000 0.435 338 R N -0.476 119.997 120.500 -0.045 0.000 2.070 338 R HA -0.163 4.176 4.340 -0.002 0.000 0.233 338 R C 2.175 178.462 176.300 -0.021 0.000 1.137 338 R CA 1.490 57.584 56.100 -0.010 0.000 0.945 338 R CB -0.522 29.803 30.300 0.042 0.000 0.845 338 R HN 0.492 nan 8.270 nan 0.000 0.430 339 A N 1.320 124.130 122.820 -0.017 0.000 1.873 339 A HA -0.239 4.080 4.320 -0.002 0.000 0.218 339 A C 2.263 179.821 177.584 -0.045 0.000 1.193 339 A CA 1.878 53.905 52.037 -0.017 0.000 0.629 339 A CB -0.592 18.400 19.000 -0.015 0.000 0.826 339 A HN 0.392 nan 8.150 nan 0.000 0.447 340 R N -0.766 119.692 120.500 -0.071 0.000 2.081 340 R HA -0.034 4.306 4.340 -0.002 0.000 0.235 340 R C 2.140 178.355 176.300 -0.142 0.000 1.131 340 R CA 1.488 57.531 56.100 -0.096 0.000 0.960 340 R CB -0.510 29.734 30.300 -0.094 0.000 0.856 340 R HN 0.536 nan 8.270 nan 0.000 0.436 341 L N 0.522 121.621 121.223 -0.206 0.000 2.131 341 L HA -0.196 4.143 4.340 -0.002 0.000 0.210 341 L C 2.093 178.855 176.870 -0.180 0.000 1.092 341 L CA 1.427 56.069 54.840 -0.330 0.000 0.759 341 L CB -0.307 41.320 42.059 -0.719 0.000 0.903 341 L HN 0.292 nan 8.230 nan 0.000 0.435 342 E N -0.186 119.970 120.200 -0.072 0.000 2.112 342 E HA -0.115 4.234 4.350 -0.002 0.000 0.190 342 E C 2.275 178.879 176.600 0.006 0.000 0.979 342 E CA 0.874 57.297 56.400 0.039 0.000 0.814 342 E CB -0.066 29.679 29.700 0.075 0.000 0.762 342 E HN 0.462 nan 8.360 nan 0.000 0.460 343 A N 0.737 123.535 122.820 -0.037 0.000 2.015 343 A HA -0.108 4.211 4.320 -0.002 0.000 0.219 343 A C 1.885 179.416 177.584 -0.088 0.000 1.163 343 A CA 0.855 52.863 52.037 -0.049 0.000 0.646 343 A CB -0.101 18.867 19.000 -0.054 0.000 0.806 343 A HN 0.112 nan 8.150 nan 0.000 0.448 344 L N -0.732 120.405 121.223 -0.144 0.000 2.591 344 L HA 0.109 4.448 4.340 -0.002 0.000 0.228 344 L C 0.339 177.106 176.870 -0.171 0.000 1.133 344 L CA 0.587 55.247 54.840 -0.300 0.000 0.880 344 L CB -0.368 41.380 42.059 -0.518 0.000 1.033 344 L HN 0.344 nan 8.230 nan 0.000 0.450 345 K N -0.328 120.065 120.400 -0.013 0.000 3.150 345 K HA -0.160 4.159 4.320 -0.002 0.000 0.267 345 K C -0.034 176.700 176.600 0.223 0.000 1.028 345 K CA 0.583 56.928 56.287 0.096 0.000 0.753 345 K CB -2.886 29.663 32.500 0.082 0.000 1.288 345 K HN 0.297 nan 8.250 nan 0.000 0.473 346 T N 2.802 117.512 114.554 0.260 0.000 2.870 346 T HA 0.242 4.591 4.350 -0.002 0.000 0.300 346 T C -1.938 173.027 174.700 0.443 0.000 0.989 346 T CA -1.047 61.288 62.100 0.393 0.000 1.139 346 T CB 0.804 69.806 68.868 0.224 0.000 0.920 346 T HN 0.074 nan 8.240 nan 0.000 0.537 347 P HA 0.345 nan 4.420 nan 0.000 0.264 347 P C 0.629 178.074 177.300 0.241 0.000 1.193 347 P CA 0.580 63.808 63.100 0.214 0.000 0.763 347 P CB 0.101 31.861 31.700 0.100 0.000 0.810 348 G N 2.154 110.993 108.800 0.065 0.000 2.655 348 G HA2 0.015 3.974 3.960 -0.002 0.000 0.680 348 G HA3 0.015 3.974 3.960 -0.002 0.000 0.680 348 G C -0.501 174.215 174.900 -0.308 0.000 1.302 348 G CA -0.343 44.651 45.100 -0.177 0.000 0.872 348 G HN 0.768 nan 8.290 nan 0.000 0.540 349 T N -2.951 111.310 114.554 -0.489 0.000 2.922 349 T HA 0.626 4.975 4.350 -0.002 0.000 0.285 349 T C 0.205 174.491 174.700 -0.690 0.000 1.005 349 T CA 0.201 62.087 62.100 -0.358 0.000 1.061 349 T CB 1.972 70.748 68.868 -0.152 0.000 1.007 349 T HN 0.901 nan 8.240 nan 0.000 0.502 350 W N 0.507 121.918 121.300 0.184 0.000 2.007 350 W HA 0.240 4.899 4.660 -0.002 0.000 0.301 350 W C 1.581 178.138 176.519 0.064 0.000 0.887 350 W CA -0.746 56.689 57.345 0.149 0.000 1.625 350 W CB 0.370 29.867 29.460 0.062 0.000 1.078 350 W HN 0.782 nan 8.180 nan 0.000 0.502 351 N N 0.867 119.722 118.700 0.258 0.000 2.309 351 N HA -0.227 4.512 4.740 -0.002 0.000 0.182 351 N C 1.559 177.176 175.510 0.178 0.000 1.018 351 N CA 1.809 54.963 53.050 0.174 0.000 0.876 351 N CB -0.952 37.610 38.487 0.125 0.000 0.972 351 N HN 0.379 nan 8.380 nan 0.000 0.434 352 H N 1.403 120.551 119.070 0.131 0.000 2.456 352 H HA 0.006 4.561 4.556 -0.002 0.000 0.296 352 H C 1.856 177.306 175.328 0.204 0.000 1.079 352 H CA 0.523 56.675 56.048 0.173 0.000 1.322 352 H CB -0.394 29.492 29.762 0.206 0.000 1.388 352 H HN 0.090 nan 8.280 nan 0.000 0.538 353 I N 2.261 122.684 120.570 -0.244 0.000 2.208 353 I HA -0.196 3.973 4.170 -0.002 0.000 0.245 353 I C 2.455 178.586 176.117 0.024 0.000 1.097 353 I CA 1.962 63.202 61.300 -0.100 0.000 1.363 353 I CB -1.449 36.514 38.000 -0.062 0.000 1.051 353 I HN 0.479 nan 8.210 nan 0.000 0.413 354 T N -3.114 111.470 114.554 0.049 0.000 3.057 354 T HA 0.034 4.383 4.350 -0.002 0.000 0.254 354 T C 1.321 176.067 174.700 0.077 0.000 1.094 354 T CA 0.298 62.434 62.100 0.060 0.000 1.088 354 T CB -0.006 68.895 68.868 0.055 0.000 0.934 354 T HN 0.114 nan 8.240 nan 0.000 0.497 355 D N 1.466 121.929 120.400 0.104 0.000 2.213 355 D HA 0.073 4.712 4.640 -0.002 0.000 0.205 355 D C 0.994 177.373 176.300 0.132 0.000 0.961 355 D CA 0.599 54.669 54.000 0.116 0.000 0.853 355 D CB -0.123 40.760 40.800 0.139 0.000 0.967 355 D HN 0.540 nan 8.370 nan 0.000 0.496 356 Q N 0.402 120.293 119.800 0.153 0.000 2.373 356 Q HA 0.260 4.599 4.340 -0.002 0.000 0.255 356 Q C 0.288 176.360 176.000 0.120 0.000 0.980 356 Q CA -0.052 55.849 55.803 0.164 0.000 0.882 356 Q CB 1.583 30.438 28.738 0.195 0.000 1.249 356 Q HN 0.214 nan 8.270 nan 0.000 0.438 357 I N -2.026 118.616 120.570 0.120 0.000 3.108 357 I HA 0.876 5.045 4.170 -0.002 0.000 0.312 357 I C 0.197 176.350 176.117 0.061 0.000 1.095 357 I CA -0.246 61.111 61.300 0.094 0.000 1.000 357 I CB 1.091 39.157 38.000 0.109 0.000 1.229 357 I HN 0.778 nan 8.210 nan 0.000 0.454 358 G N 3.363 112.188 108.800 0.042 0.000 2.512 358 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.210 358 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.210 358 G C 0.035 174.823 174.900 -0.186 0.000 1.295 358 G CA 0.074 45.133 45.100 -0.068 0.000 0.934 358 G HN 0.701 nan 8.290 nan 0.000 0.554 359 M N -0.230 119.020 119.600 -0.583 0.000 2.476 359 M HA 0.301 4.780 4.480 -0.002 0.000 0.262 359 M C 0.285 176.165 176.300 -0.700 0.000 1.111 359 M CA 0.977 55.837 55.300 -0.733 0.000 1.127 359 M CB 0.045 31.894 32.600 -1.252 0.000 1.376 359 M HN 0.264 nan 8.290 nan 0.000 0.465 360 F N -0.948 118.942 119.950 -0.101 0.000 2.541 360 F HA 0.448 4.974 4.527 -0.002 0.000 0.331 360 F C 0.261 176.073 175.800 0.020 0.000 1.057 360 F CA -1.188 56.788 58.000 -0.039 0.000 0.975 360 F CB 1.167 40.131 39.000 -0.060 0.000 1.246 360 F HN -0.354 nan 8.300 nan 0.000 0.484 361 S N 1.022 116.896 115.700 0.290 0.000 2.561 361 S HA 0.424 4.893 4.470 -0.002 0.000 0.303 361 S C -1.457 173.323 174.600 0.301 0.000 1.110 361 S CA -0.412 57.929 58.200 0.234 0.000 1.034 361 S CB 0.830 64.122 63.200 0.153 0.000 1.010 361 S HN 0.407 nan 8.310 nan 0.000 0.482 362 F N 4.100 124.098 119.950 0.080 0.000 2.384 362 F HA 0.241 4.768 4.527 -0.001 0.000 0.359 362 F C 1.868 177.784 175.800 0.193 0.000 1.143 362 F CA -1.116 56.872 58.000 -0.021 0.000 1.216 362 F CB -0.005 38.799 39.000 -0.328 0.000 1.512 362 F HN 0.734 nan 8.300 nan 0.000 0.573 363 T N 0.206 114.853 114.554 0.155 0.000 2.788 363 T HA 0.052 4.401 4.350 -0.002 0.000 0.268 363 T C 1.811 176.699 174.700 0.312 0.000 1.044 363 T CA 1.282 63.588 62.100 0.344 0.000 1.139 363 T CB -0.534 68.479 68.868 0.242 0.000 0.867 363 T HN 1.074 nan 8.240 nan 0.000 0.454 364 G N 0.964 109.728 108.800 -0.060 0.000 2.179 364 G HA2 -0.160 3.800 3.960 -0.002 0.000 0.220 364 G HA3 -0.160 3.800 3.960 -0.002 0.000 0.220 364 G C 0.009 174.863 174.900 -0.076 0.000 0.990 364 G CA -0.096 44.930 45.100 -0.124 0.000 0.646 364 G HN 0.691 nan 8.290 nan 0.000 0.517 365 L N 1.939 123.152 121.223 -0.016 0.000 2.490 365 L HA 0.269 4.608 4.340 -0.002 0.000 0.274 365 L C 1.099 177.941 176.870 -0.048 0.000 1.201 365 L CA -0.135 54.709 54.840 0.006 0.000 0.869 365 L CB 0.081 42.168 42.059 0.045 0.000 1.123 365 L HN 0.545 nan 8.230 nan 0.000 0.484 366 N N 4.168 122.853 118.700 -0.026 0.000 2.381 366 N HA 0.198 4.937 4.740 -0.002 0.000 0.254 366 N C -1.987 173.510 175.510 -0.022 0.000 1.264 366 N CA -1.689 51.343 53.050 -0.031 0.000 0.942 366 N CB -0.166 38.308 38.487 -0.023 0.000 1.190 366 N HN 0.268 nan 8.380 nan 0.000 0.495 367 P HA -0.099 nan 4.420 nan 0.000 0.223 367 P C 0.311 177.611 177.300 -0.001 0.000 1.151 367 P CA 1.463 64.556 63.100 -0.011 0.000 0.787 367 P CB 0.177 31.871 31.700 -0.009 0.000 0.788 368 K N 0.123 120.523 120.400 0.000 0.000 2.062 368 K HA -0.078 4.241 4.320 -0.002 0.000 0.205 368 K C 2.332 178.951 176.600 0.032 0.000 1.051 368 K CA 1.156 57.448 56.287 0.008 0.000 0.941 368 K CB -0.330 32.167 32.500 -0.006 0.000 0.719 368 K HN 0.187 nan 8.250 nan 0.000 0.440 369 Q N 0.582 120.396 119.800 0.024 0.000 2.230 369 Q HA -0.072 4.267 4.340 -0.002 0.000 0.202 369 Q C 2.081 178.133 176.000 0.087 0.000 0.963 369 Q CA 0.890 56.727 55.803 0.057 0.000 0.866 369 Q CB 0.034 28.791 28.738 0.032 0.000 0.931 369 Q HN 0.069 nan 8.270 nan 0.000 0.452 370 V N 0.842 120.777 119.914 0.036 0.000 2.323 370 V HA -0.247 3.872 4.120 -0.002 0.000 0.244 370 V C 2.110 178.194 176.094 -0.016 0.000 1.041 370 V CA 1.926 64.229 62.300 0.005 0.000 1.025 370 V CB -0.510 31.306 31.823 -0.011 0.000 0.656 370 V HN 0.367 nan 8.190 nan 0.000 0.451 371 E N -0.591 119.609 120.200 0.001 0.000 2.070 371 E HA -0.303 4.046 4.350 -0.002 0.000 0.197 371 E C 2.171 178.759 176.600 -0.020 0.000 1.004 371 E CA 2.047 58.438 56.400 -0.016 0.000 0.805 371 E CB -0.293 29.414 29.700 0.012 0.000 0.744 371 E HN 0.693 nan 8.360 nan 0.000 0.451 372 Y N 1.174 121.428 120.300 -0.075 0.000 2.097 372 Y HA -0.258 4.291 4.550 -0.002 0.000 0.282 372 Y C 1.981 177.818 175.900 -0.105 0.000 1.152 372 Y CA 1.876 59.930 58.100 -0.078 0.000 1.136 372 Y CB -0.482 37.942 38.460 -0.060 0.000 0.975 372 Y HN 0.023 nan 8.280 nan 0.000 0.498 373 L N -0.285 120.835 121.223 -0.171 0.000 2.043 373 L HA -0.279 4.060 4.340 -0.002 0.000 0.212 373 L C 2.467 179.131 176.870 -0.344 0.000 1.075 373 L CA 1.872 56.551 54.840 -0.268 0.000 0.752 373 L CB -0.635 41.369 42.059 -0.091 0.000 0.891 373 L HN 0.333 nan 8.230 nan 0.000 0.432 374 I N -0.577 119.798 120.570 -0.326 0.000 2.233 374 I HA -0.234 3.935 4.170 -0.002 0.000 0.243 374 I C 2.255 178.039 176.117 -0.555 0.000 1.093 374 I CA 1.040 62.046 61.300 -0.490 0.000 1.380 374 I CB -0.419 37.355 38.000 -0.377 0.000 1.067 374 I HN 0.306 nan 8.210 nan 0.000 0.413 375 N N 0.420 118.875 118.700 -0.408 0.000 2.109 375 N HA -0.136 4.604 4.740 -0.002 0.000 0.188 375 N C 1.923 177.155 175.510 -0.463 0.000 1.034 375 N CA 1.186 54.010 53.050 -0.378 0.000 0.846 375 N CB -0.259 38.111 38.487 -0.195 0.000 1.010 375 N HN 0.369 nan 8.380 nan 0.000 0.425 376 Q N 0.663 120.193 119.800 -0.450 0.000 2.089 376 Q HA 0.070 4.409 4.340 -0.002 0.000 0.195 376 Q C 1.393 177.261 176.000 -0.221 0.000 0.963 376 Q CA 0.951 56.528 55.803 -0.377 0.000 0.834 376 Q CB 0.028 28.377 28.738 -0.648 0.000 0.906 376 Q HN 0.291 nan 8.270 nan 0.000 0.452 377 K N -0.281 119.922 120.400 -0.328 0.000 2.361 377 K HA 0.074 4.393 4.320 -0.002 0.000 0.194 377 K C -0.075 176.694 176.600 0.282 0.000 1.032 377 K CA 0.071 56.359 56.287 0.000 0.000 1.048 377 K CB 0.202 32.549 32.500 -0.254 0.000 0.842 377 K HN 0.333 nan 8.250 nan 0.000 0.526 378 H N -0.124 118.891 119.070 -0.092 0.000 2.903 378 H HA -0.134 4.421 4.556 -0.002 0.000 0.285 378 H C -0.490 174.852 175.328 0.023 0.000 1.231 378 H CA 0.492 56.508 56.048 -0.054 0.000 1.135 378 H CB -2.073 27.759 29.762 0.117 0.000 1.328 378 H HN 0.154 nan 8.280 nan 0.000 0.388 379 I N 1.523 122.046 120.570 -0.078 0.000 2.330 379 I HA 0.150 4.319 4.170 -0.002 0.000 0.286 379 I C 0.164 176.179 176.117 -0.170 0.000 1.025 379 I CA -0.536 60.775 61.300 0.019 0.000 1.197 379 I CB 0.499 38.511 38.000 0.021 0.000 1.358 379 I HN -0.014 nan 8.210 nan 0.000 0.467 380 Y N 7.598 127.938 120.300 0.067 0.000 2.336 380 Y HA 0.564 5.113 4.550 -0.002 0.000 0.335 380 Y C 0.258 176.147 175.900 -0.019 0.000 1.046 380 Y CA -0.406 57.709 58.100 0.024 0.000 1.198 380 Y CB 0.805 39.288 38.460 0.038 0.000 1.182 380 Y HN 0.429 nan 8.280 nan 0.000 0.502 381 L N 0.802 122.071 121.223 0.078 0.000 2.720 381 L HA 0.669 5.008 4.340 -0.002 0.000 0.261 381 L C -1.745 175.144 176.870 0.032 0.000 1.046 381 L CA -1.288 53.579 54.840 0.045 0.000 0.886 381 L CB 1.564 43.638 42.059 0.025 0.000 1.493 381 L HN 0.346 nan 8.230 nan 0.000 0.407 382 L N 1.364 122.597 121.223 0.016 0.000 2.417 382 L HA 0.346 4.685 4.340 -0.002 0.000 0.268 382 L C -1.338 175.534 176.870 0.003 0.000 1.158 382 L CA -1.616 53.230 54.840 0.009 0.000 0.819 382 L CB 0.894 42.947 42.059 -0.010 0.000 1.112 382 L HN 0.565 nan 8.230 nan 0.000 0.458 383 P HA -0.188 nan 4.420 nan 0.000 0.217 383 P C 1.439 178.730 177.300 -0.015 0.000 1.148 383 P CA 1.317 64.415 63.100 -0.003 0.000 0.828 383 P CB 0.050 31.752 31.700 0.004 0.000 0.783 384 S N -1.611 114.088 115.700 -0.002 0.000 2.474 384 S HA 0.089 4.558 4.470 -0.002 0.000 0.235 384 S C 1.730 176.229 174.600 -0.168 0.000 0.997 384 S CA 0.989 59.187 58.200 -0.005 0.000 0.949 384 S CB -1.380 61.915 63.200 0.159 0.000 0.766 384 S HN 0.337 nan 8.310 nan 0.000 0.517 385 G N 0.982 109.716 108.800 -0.109 0.000 2.159 385 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.227 385 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.227 385 G C 0.030 174.884 174.900 -0.076 0.000 0.986 385 G CA -0.037 44.974 45.100 -0.149 0.000 0.651 385 G HN 0.706 nan 8.290 nan 0.000 0.523 386 R N 0.848 121.367 120.500 0.033 0.000 2.389 386 R HA 0.581 4.920 4.340 -0.002 0.000 0.295 386 R C 0.687 177.037 176.300 0.083 0.000 1.075 386 R CA -0.170 56.001 56.100 0.118 0.000 1.005 386 R CB 0.101 30.417 30.300 0.027 0.000 0.987 386 R HN 0.654 nan 8.270 nan 0.000 0.452 387 I N 0.987 121.650 120.570 0.155 0.000 2.646 387 I HA 0.407 4.576 4.170 -0.002 0.000 0.299 387 I C -0.878 175.413 176.117 0.291 0.000 1.036 387 I CA -1.255 60.139 61.300 0.157 0.000 1.074 387 I CB 2.071 40.131 38.000 0.101 0.000 1.258 387 I HN 0.448 nan 8.210 nan 0.000 0.430 388 N N 6.100 124.950 118.700 0.250 0.000 2.406 388 N HA 0.235 4.974 4.740 -0.002 0.000 0.251 388 N C 0.640 176.181 175.510 0.052 0.000 1.069 388 N CA -0.468 52.709 53.050 0.213 0.000 0.947 388 N CB 0.879 39.462 38.487 0.160 0.000 1.111 388 N HN 0.680 nan 8.380 nan 0.000 0.497 389 M N 1.940 121.545 119.600 0.008 0.000 2.358 389 M HA -0.110 4.369 4.480 -0.002 0.000 0.264 389 M C 1.364 177.645 176.300 -0.032 0.000 1.064 389 M CA 0.650 55.946 55.300 -0.007 0.000 1.093 389 M CB -1.224 31.374 32.600 -0.004 0.000 1.401 389 M HN 0.605 nan 8.290 nan 0.000 0.440 390 C N -0.288 118.978 119.300 -0.055 0.000 2.500 390 C HA 0.132 4.591 4.460 -0.002 0.000 0.273 390 C C 2.591 177.486 174.990 -0.158 0.000 1.428 390 C CA 0.343 59.300 59.018 -0.102 0.000 1.766 390 C CB -2.045 25.648 27.740 -0.077 0.000 1.817 390 C HN 0.669 nan 8.230 nan 0.000 0.543 391 G N 0.239 108.977 108.800 -0.103 0.000 2.712 391 G HA2 0.195 4.154 3.960 -0.002 0.000 0.212 391 G HA3 0.195 4.154 3.960 -0.002 0.000 0.212 391 G C 0.543 175.399 174.900 -0.072 0.000 1.142 391 G CA 0.025 45.062 45.100 -0.104 0.000 0.789 391 G HN 0.490 nan 8.290 nan 0.000 0.535 392 L N 1.718 122.906 121.223 -0.058 0.000 2.350 392 L HA 0.504 4.843 4.340 -0.002 0.000 0.275 392 L C 0.629 177.466 176.870 -0.055 0.000 1.099 392 L CA -0.416 54.402 54.840 -0.037 0.000 0.808 392 L CB 1.586 43.630 42.059 -0.025 0.000 1.149 392 L HN 0.146 nan 8.230 nan 0.000 0.442 393 T N -3.337 111.195 114.554 -0.036 0.000 2.841 393 T HA 0.227 4.576 4.350 -0.002 0.000 0.296 393 T C 0.874 175.558 174.700 -0.027 0.000 1.166 393 T CA -0.046 62.028 62.100 -0.044 0.000 1.007 393 T CB 1.553 70.390 68.868 -0.051 0.000 1.253 393 T HN 0.661 nan 8.240 nan 0.000 0.511 394 T N -0.613 113.923 114.554 -0.030 0.000 2.833 394 T HA -0.090 4.259 4.350 -0.002 0.000 0.269 394 T C 1.541 176.234 174.700 -0.013 0.000 1.054 394 T CA 0.825 62.912 62.100 -0.022 0.000 1.135 394 T CB -0.457 68.396 68.868 -0.025 0.000 0.869 394 T HN 0.700 nan 8.240 nan 0.000 0.466 395 K N 2.132 122.524 120.400 -0.013 0.000 2.228 395 K HA -0.002 4.317 4.320 -0.002 0.000 0.202 395 K C 1.555 178.160 176.600 0.008 0.000 1.051 395 K CA 1.270 57.553 56.287 -0.007 0.000 0.960 395 K CB -0.462 32.029 32.500 -0.015 0.000 0.743 395 K HN 0.656 nan 8.250 nan 0.000 0.458 396 N N 0.425 119.137 118.700 0.020 0.000 2.197 396 N HA -0.020 4.719 4.740 -0.002 0.000 0.201 396 N C 1.463 177.022 175.510 0.080 0.000 1.148 396 N CA -0.176 52.912 53.050 0.063 0.000 0.883 396 N CB -0.191 38.336 38.487 0.066 0.000 1.012 396 N HN -0.127 nan 8.380 nan 0.000 0.507 397 L N 1.692 122.935 121.223 0.034 0.000 2.043 397 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 397 L C 1.281 178.160 176.870 0.016 0.000 1.075 397 L CA 1.771 56.619 54.840 0.012 0.000 0.752 397 L CB -0.916 41.138 42.059 -0.008 0.000 0.891 397 L HN 0.255 nan 8.230 nan 0.000 0.432 398 D N -2.180 118.241 120.400 0.035 0.000 2.097 398 D HA -0.252 4.387 4.640 -0.002 0.000 0.197 398 D C 2.032 178.368 176.300 0.061 0.000 0.984 398 D CA 1.304 55.322 54.000 0.030 0.000 0.826 398 D CB -0.152 40.663 40.800 0.025 0.000 0.973 398 D HN 0.373 nan 8.370 nan 0.000 0.460 399 Y N 2.427 122.718 120.300 -0.015 0.000 2.165 399 Y HA -0.250 4.299 4.550 -0.002 0.000 0.286 399 Y C 2.248 178.147 175.900 -0.002 0.000 1.155 399 Y CA 1.073 59.171 58.100 -0.002 0.000 1.164 399 Y CB -0.426 38.038 38.460 0.007 0.000 0.978 399 Y HN -0.240 nan 8.280 nan 0.000 0.513 400 V N 0.318 120.237 119.914 0.008 0.000 2.261 400 V HA -0.312 3.808 4.120 -0.002 0.000 0.246 400 V C 2.717 178.733 176.094 -0.129 0.000 1.047 400 V CA 1.864 64.114 62.300 -0.085 0.000 1.015 400 V CB -1.707 30.116 31.823 -0.000 0.000 0.642 400 V HN 0.538 nan 8.190 nan 0.000 0.446 401 A N 0.813 123.572 122.820 -0.101 0.000 1.908 401 A HA -0.280 4.039 4.320 -0.002 0.000 0.218 401 A C 2.528 180.043 177.584 -0.115 0.000 1.181 401 A CA 2.939 54.898 52.037 -0.131 0.000 0.627 401 A CB -1.064 17.866 19.000 -0.117 0.000 0.818 401 A HN 0.666 nan 8.150 nan 0.000 0.445 402 T N -3.083 111.410 114.554 -0.103 0.000 2.812 402 T HA -0.091 4.258 4.350 -0.002 0.000 0.264 402 T C 2.003 176.670 174.700 -0.055 0.000 1.042 402 T CA 1.848 63.907 62.100 -0.067 0.000 1.140 402 T CB -0.659 68.176 68.868 -0.054 0.000 0.870 402 T HN 0.297 nan 8.240 nan 0.000 0.445 403 S N 1.508 117.093 115.700 -0.191 0.000 2.382 403 S HA 0.067 4.536 4.470 -0.002 0.000 0.228 403 S C 1.963 176.542 174.600 -0.034 0.000 1.027 403 S CA 1.288 59.381 58.200 -0.179 0.000 0.991 403 S CB -0.523 62.409 63.200 -0.447 0.000 0.823 403 S HN 0.508 nan 8.310 nan 0.000 0.469 404 I N 0.970 121.501 120.570 -0.066 0.000 2.252 404 I HA -0.207 3.962 4.170 -0.002 0.000 0.245 404 I C 2.588 178.691 176.117 -0.023 0.000 1.102 404 I CA 1.351 62.622 61.300 -0.048 0.000 1.385 404 I CB -0.476 37.440 38.000 -0.139 0.000 1.064 404 I HN 0.425 nan 8.210 nan 0.000 0.414 405 H N 1.616 120.617 119.070 -0.114 0.000 2.353 405 H HA -0.208 4.347 4.556 -0.002 0.000 0.298 405 H C 1.946 177.252 175.328 -0.036 0.000 1.103 405 H CA 2.182 58.181 56.048 -0.082 0.000 1.293 405 H CB 0.191 29.896 29.762 -0.095 0.000 1.372 405 H HN 0.452 nan 8.280 nan 0.000 0.501 406 E N 0.282 120.445 120.200 -0.062 0.000 2.046 406 E HA -0.068 4.281 4.350 -0.002 0.000 0.190 406 E C 2.563 179.036 176.600 -0.212 0.000 0.982 406 E CA 0.729 57.067 56.400 -0.105 0.000 0.800 406 E CB -0.132 29.602 29.700 0.057 0.000 0.756 406 E HN 0.502 nan 8.360 nan 0.000 0.449 407 A N 1.138 123.895 122.820 -0.105 0.000 1.892 407 A HA -0.212 4.107 4.320 -0.002 0.000 0.218 407 A C 2.529 180.013 177.584 -0.166 0.000 1.188 407 A CA 1.594 53.523 52.037 -0.181 0.000 0.631 407 A CB -0.929 18.142 19.000 0.118 0.000 0.822 407 A HN 0.149 nan 8.150 nan 0.000 0.447 408 V N 0.271 120.128 119.914 -0.096 0.000 2.427 408 V HA -0.207 3.912 4.120 -0.002 0.000 0.248 408 V C 2.910 178.936 176.094 -0.114 0.000 1.051 408 V CA 2.432 64.702 62.300 -0.050 0.000 1.048 408 V CB -0.975 30.878 31.823 0.050 0.000 0.666 408 V HN 0.896 nan 8.190 nan 0.000 0.456 409 T N -2.879 111.551 114.554 -0.207 0.000 3.031 409 T HA -0.002 4.348 4.350 -0.002 0.000 0.254 409 T C 1.751 176.352 174.700 -0.165 0.000 1.060 409 T CA 0.557 62.541 62.100 -0.192 0.000 1.135 409 T CB -0.012 68.690 68.868 -0.277 0.000 0.896 409 T HN 0.415 nan 8.240 nan 0.000 0.472 410 K N 0.834 121.104 120.400 -0.216 0.000 2.128 410 K HA 0.264 4.583 4.320 -0.002 0.000 0.202 410 K C 1.010 177.474 176.600 -0.225 0.000 1.050 410 K CA 0.441 56.588 56.287 -0.233 0.000 0.966 410 K CB 0.168 32.462 32.500 -0.344 0.000 0.759 410 K HN 0.271 nan 8.250 nan 0.000 0.454 411 I N 2.193 122.613 120.570 -0.250 0.000 3.780 411 I HA 0.098 4.267 4.170 -0.002 0.000 0.312 411 I C 0.205 176.258 176.117 -0.105 0.000 1.377 411 I CA 0.380 61.571 61.300 -0.182 0.000 1.224 411 I CB -2.049 35.835 38.000 -0.193 0.000 1.110 411 I HN 0.400 nan 8.210 nan 0.000 0.418 412 Q N 0.000 119.743 119.800 -0.094 0.000 2.315 412 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 412 Q CA 0.000 55.765 55.803 -0.064 0.000 1.022 412 Q CB 0.000 28.708 28.738 -0.049 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481