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 1ajr_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 FCAQSFSXNF 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 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 2 P HA 0.019 nan 4.420 nan 0.000 0.251 2 P C -1.999 175.286 177.300 -0.026 0.000 1.105 2 P CA 0.581 63.666 63.100 -0.024 0.000 0.775 2 P CB 0.044 31.729 31.700 -0.026 0.000 0.689 3 P HA 0.114 nan 4.420 nan 0.000 0.276 3 P C -0.265 177.004 177.300 -0.052 0.000 1.244 3 P CA -0.466 62.616 63.100 -0.029 0.000 0.801 3 P CB 0.930 32.615 31.700 -0.025 0.000 1.006 4 S N 0.124 115.799 115.700 -0.042 0.000 2.568 4 S HA 0.034 4.503 4.470 -0.001 0.000 0.282 4 S C 1.377 175.878 174.600 -0.165 0.000 1.338 4 S CA -0.365 57.788 58.200 -0.080 0.000 1.045 4 S CB -0.012 63.196 63.200 0.014 0.000 0.873 4 S HN 0.342 nan 8.310 nan 0.000 0.516 5 V N 2.881 122.571 119.914 -0.374 0.000 3.305 5 V HA 0.166 4.285 4.120 -0.001 0.000 0.269 5 V C 0.838 176.660 176.094 -0.453 0.000 1.157 5 V CA 1.067 63.093 62.300 -0.455 0.000 1.157 5 V CB -1.207 30.264 31.823 -0.587 0.000 0.772 5 V HN 0.791 nan 8.190 nan 0.000 0.498 6 F N 0.612 120.560 119.950 -0.004 0.000 2.653 6 F HA 0.703 5.230 4.527 -0.001 0.000 0.304 6 F C 2.258 178.056 175.800 -0.004 0.000 1.092 6 F CA -0.314 57.684 58.000 -0.004 0.000 1.279 6 F CB -0.585 38.413 39.000 -0.005 0.000 1.044 6 F HN 0.165 nan 8.300 nan 0.000 0.564 7 A N 0.478 123.357 122.820 0.097 0.000 1.948 7 A HA -0.210 4.109 4.320 -0.001 0.000 0.220 7 A C 1.880 179.499 177.584 0.058 0.000 1.177 7 A CA 1.910 53.986 52.037 0.064 0.000 0.636 7 A CB -0.505 18.507 19.000 0.020 0.000 0.815 7 A HN 0.467 nan 8.150 nan 0.000 0.449 8 E N -0.525 119.708 120.200 0.054 0.000 2.465 8 E HA 0.217 4.567 4.350 -0.001 0.000 0.195 8 E C -0.725 175.905 176.600 0.051 0.000 1.028 8 E CA -0.426 55.999 56.400 0.042 0.000 0.899 8 E CB 0.523 30.238 29.700 0.025 0.000 1.032 8 E HN 0.305 nan 8.360 nan 0.000 0.468 9 V N 4.496 124.457 119.914 0.078 0.000 2.479 9 V HA 0.073 4.193 4.120 -0.001 0.000 0.281 9 V C -1.490 174.626 176.094 0.038 0.000 1.031 9 V CA -1.138 61.203 62.300 0.068 0.000 1.038 9 V CB -0.095 31.785 31.823 0.094 0.000 0.981 9 V HN 0.161 nan 8.190 nan 0.000 0.478 10 P HA 0.254 nan 4.420 nan 0.000 0.276 10 P C -0.834 176.468 177.300 0.004 0.000 1.244 10 P CA -0.700 62.408 63.100 0.014 0.000 0.801 10 P CB 0.674 32.381 31.700 0.012 0.000 1.006 11 Q N 1.133 120.933 119.800 0.000 0.000 2.295 11 Q HA 0.461 4.801 4.340 -0.001 0.000 0.259 11 Q C -0.474 175.521 176.000 -0.009 0.000 0.976 11 Q CA -0.287 55.511 55.803 -0.009 0.000 0.923 11 Q CB 0.171 28.905 28.738 -0.007 0.000 1.185 11 Q HN 0.574 nan 8.270 nan 0.000 0.410 12 A N 4.467 127.277 122.820 -0.016 0.000 2.445 12 A HA 0.142 4.461 4.320 -0.001 0.000 0.242 12 A C -0.229 177.348 177.584 -0.011 0.000 1.075 12 A CA -0.193 51.835 52.037 -0.015 0.000 0.777 12 A CB 0.239 19.225 19.000 -0.024 0.000 1.013 12 A HN 0.866 nan 8.150 nan 0.000 0.493 13 Q N 1.412 121.210 119.800 -0.003 0.000 2.314 13 Q HA 0.323 4.662 4.340 -0.001 0.000 0.258 13 Q C -1.835 174.171 176.000 0.010 0.000 0.954 13 Q CA -1.416 54.390 55.803 0.005 0.000 0.890 13 Q CB 0.549 29.293 28.738 0.009 0.000 1.210 13 Q HN 0.635 nan 8.270 nan 0.000 0.410 14 P HA 0.081 nan 4.420 nan 0.000 0.274 14 P C -1.020 176.330 177.300 0.083 0.000 1.231 14 P CA -0.291 62.834 63.100 0.041 0.000 0.790 14 P CB 0.689 32.415 31.700 0.043 0.000 0.951 15 V N 3.647 123.661 119.914 0.168 0.000 2.432 15 V HA 0.042 4.162 4.120 -0.001 0.000 0.271 15 V C 2.177 178.382 176.094 0.185 0.000 1.046 15 V CA -0.364 62.070 62.300 0.223 0.000 0.945 15 V CB 0.488 32.586 31.823 0.459 0.000 0.992 15 V HN 0.601 nan 8.190 nan 0.000 0.471 16 L N 4.545 125.816 121.223 0.081 0.000 2.010 16 L HA -0.245 4.095 4.340 -0.001 0.000 0.219 16 L C 2.339 179.223 176.870 0.024 0.000 1.077 16 L CA 1.991 56.860 54.840 0.048 0.000 0.773 16 L CB -0.032 42.036 42.059 0.015 0.000 0.892 16 L HN 0.626 nan 8.230 nan 0.000 0.436 17 V N -0.120 119.755 119.914 -0.064 0.000 2.236 17 V HA -0.411 3.709 4.120 -0.001 0.000 0.255 17 V C 2.194 178.182 176.094 -0.178 0.000 1.068 17 V CA 2.700 64.879 62.300 -0.202 0.000 1.044 17 V CB -0.872 30.685 31.823 -0.443 0.000 0.653 17 V HN 0.339 nan 8.190 nan 0.000 0.448 18 F N 0.021 119.982 119.950 0.019 0.000 2.126 18 F HA -0.166 4.360 4.527 -0.001 0.000 0.299 18 F C 2.441 178.258 175.800 0.027 0.000 1.096 18 F CA 1.868 59.880 58.000 0.020 0.000 1.255 18 F CB -0.632 38.374 39.000 0.011 0.000 0.997 18 F HN 0.033 nan 8.300 nan 0.000 0.479 19 K N 0.373 120.887 120.400 0.190 0.000 2.002 19 K HA -0.206 4.114 4.320 -0.001 0.000 0.209 19 K C 2.188 178.857 176.600 0.115 0.000 1.048 19 K CA 1.500 57.866 56.287 0.131 0.000 0.930 19 K CB -0.775 31.789 32.500 0.107 0.000 0.714 19 K HN 0.222 nan 8.250 nan 0.000 0.438 20 L N 1.571 122.858 121.223 0.106 0.000 2.012 20 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 20 L C 2.130 179.049 176.870 0.082 0.000 1.073 20 L CA 1.471 56.391 54.840 0.133 0.000 0.748 20 L CB -0.356 41.772 42.059 0.115 0.000 0.891 20 L HN 0.143 nan 8.230 nan 0.000 0.431 21 I N 0.181 120.783 120.570 0.054 0.000 2.163 21 I HA -0.279 3.890 4.170 -0.001 0.000 0.243 21 I C 2.740 178.911 176.117 0.089 0.000 1.085 21 I CA 1.557 62.893 61.300 0.059 0.000 1.347 21 I CB -2.061 35.967 38.000 0.047 0.000 1.044 21 I HN 0.406 nan 8.210 nan 0.000 0.408 22 A N 0.554 123.423 122.820 0.082 0.000 1.877 22 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 22 A C 2.086 179.681 177.584 0.020 0.000 1.186 22 A CA 2.015 54.087 52.037 0.059 0.000 0.620 22 A CB -0.683 18.365 19.000 0.080 0.000 0.822 22 A HN 0.331 nan 8.150 nan 0.000 0.443 23 D N -1.089 119.336 120.400 0.043 0.000 2.092 23 D HA -0.157 4.483 4.640 -0.001 0.000 0.193 23 D C 1.646 177.884 176.300 -0.103 0.000 0.994 23 D CA 1.497 55.529 54.000 0.053 0.000 0.828 23 D CB -0.481 40.437 40.800 0.196 0.000 0.963 23 D HN 0.427 nan 8.370 nan 0.000 0.450 24 F N 1.917 121.566 119.950 -0.502 0.000 2.091 24 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 24 F C 2.306 177.887 175.800 -0.366 0.000 1.103 24 F CA 1.564 59.024 58.000 -0.900 0.000 1.228 24 F CB -0.152 38.264 39.000 -0.973 0.000 0.984 24 F HN -0.178 nan 8.300 nan 0.000 0.477 25 R N 0.017 120.316 120.500 -0.335 0.000 2.117 25 R HA -0.175 4.165 4.340 -0.001 0.000 0.243 25 R C 1.857 177.967 176.300 -0.316 0.000 1.143 25 R CA 1.623 57.539 56.100 -0.307 0.000 0.968 25 R CB -0.443 29.809 30.300 -0.080 0.000 0.863 25 R HN 0.360 nan 8.270 nan 0.000 0.444 26 E N 0.470 120.531 120.200 -0.232 0.000 2.371 26 E HA -0.040 4.310 4.350 -0.001 0.000 0.194 26 E C -0.049 176.450 176.600 -0.168 0.000 1.012 26 E CA 0.197 56.505 56.400 -0.154 0.000 0.860 26 E CB -0.274 29.385 29.700 -0.069 0.000 0.811 26 E HN 0.157 nan 8.360 nan 0.000 0.502 27 D N 2.218 122.473 120.400 -0.242 0.000 2.451 27 D HA -0.040 4.600 4.640 -0.001 0.000 0.254 27 D C -1.289 174.878 176.300 -0.223 0.000 1.204 27 D CA -1.375 52.522 54.000 -0.171 0.000 0.896 27 D CB 1.176 41.938 40.800 -0.063 0.000 1.136 27 D HN -0.053 nan 8.370 nan 0.000 0.499 28 P HA -0.102 nan 4.420 nan 0.000 0.217 28 P C 0.381 177.565 177.300 -0.193 0.000 1.151 28 P CA 0.165 63.170 63.100 -0.158 0.000 0.828 28 P CB 0.106 31.738 31.700 -0.113 0.000 0.788 29 D N 1.579 121.808 120.400 -0.285 0.000 2.648 29 D HA -0.077 4.563 4.640 -0.001 0.000 0.229 29 D C -1.069 175.104 176.300 -0.212 0.000 1.119 29 D CA -0.642 53.151 54.000 -0.346 0.000 0.850 29 D CB 1.070 41.378 40.800 -0.821 0.000 1.169 29 D HN 0.133 nan 8.370 nan 0.000 0.489 30 P HA -0.032 nan 4.420 nan 0.000 0.229 30 P C 0.740 177.971 177.300 -0.115 0.000 1.160 30 P CA 0.657 63.685 63.100 -0.119 0.000 0.777 30 P CB 0.358 31.995 31.700 -0.105 0.000 0.814 31 R N 0.427 120.841 120.500 -0.144 0.000 2.312 31 R HA 0.094 4.434 4.340 -0.001 0.000 0.205 31 R C 0.974 177.271 176.300 -0.005 0.000 0.904 31 R CA -0.180 55.784 56.100 -0.227 0.000 1.052 31 R CB -0.225 29.756 30.300 -0.533 0.000 1.014 31 R HN 0.295 nan 8.270 nan 0.000 0.503 32 K N 1.271 121.762 120.400 0.151 0.000 2.569 32 K HA 0.030 4.349 4.320 -0.001 0.000 0.280 32 K C -0.542 176.373 176.600 0.525 0.000 0.984 32 K CA 0.278 56.827 56.287 0.436 0.000 1.064 32 K CB 0.657 33.393 32.500 0.393 0.000 0.866 32 K HN -0.223 nan 8.250 nan 0.000 0.492 33 V N 2.302 122.561 119.914 0.575 0.000 2.638 33 V HA 0.139 4.258 4.120 -0.001 0.000 0.306 33 V C -0.970 175.171 176.094 0.078 0.000 1.052 33 V CA -1.064 61.414 62.300 0.297 0.000 0.885 33 V CB 1.706 33.670 31.823 0.235 0.000 0.999 33 V HN 0.911 nan 8.190 nan 0.000 0.424 34 N N 4.132 122.566 118.700 -0.443 0.000 2.609 34 N HA 0.411 5.150 4.740 -0.001 0.000 0.234 34 N C 0.063 175.410 175.510 -0.272 0.000 1.001 34 N CA -0.318 52.302 53.050 -0.717 0.000 0.926 34 N CB 0.828 38.321 38.487 -1.657 0.000 1.130 34 N HN 0.688 nan 8.380 nan 0.000 0.510 35 L N 1.786 122.952 121.223 -0.095 0.000 2.700 35 L HA 0.350 4.690 4.340 -0.001 0.000 0.234 35 L C 1.654 178.537 176.870 0.023 0.000 1.156 35 L CA -0.073 54.756 54.840 -0.018 0.000 0.946 35 L CB 0.395 42.467 42.059 0.021 0.000 1.216 35 L HN 0.569 nan 8.230 nan 0.000 0.493 36 G N -0.397 108.389 108.800 -0.023 0.000 2.838 36 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.210 36 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.210 36 G C 0.684 175.590 174.900 0.010 0.000 1.153 36 G CA -0.025 45.078 45.100 0.005 0.000 0.778 36 G HN 0.074 nan 8.290 nan 0.000 0.539 37 V N 0.920 120.823 119.914 -0.019 0.000 3.061 37 V HA 0.418 4.537 4.120 -0.001 0.000 0.306 37 V C 1.326 177.500 176.094 0.134 0.000 1.118 37 V CA 1.275 63.576 62.300 0.002 0.000 1.231 37 V CB 1.399 33.191 31.823 -0.051 0.000 0.956 37 V HN 0.168 nan 8.190 nan 0.000 0.499 38 G N 4.215 113.089 108.800 0.122 0.000 3.993 38 G HA2 0.698 4.657 3.960 -0.001 0.000 0.294 38 G HA3 0.698 4.657 3.960 -0.001 0.000 0.294 38 G C -0.129 174.891 174.900 0.200 0.000 1.043 38 G CA 0.539 45.818 45.100 0.298 0.000 0.839 38 G HN 1.314 nan 8.290 nan 0.000 0.516 39 A N -0.435 122.424 122.820 0.064 0.000 2.569 39 A HA 0.680 5.000 4.320 -0.001 0.000 0.290 39 A C -1.472 176.199 177.584 0.144 0.000 1.136 39 A CA -0.864 51.182 52.037 0.015 0.000 0.710 39 A CB 1.192 19.934 19.000 -0.429 0.000 1.303 39 A HN 0.287 nan 8.150 nan 0.000 0.413 40 Y N 1.419 121.858 120.300 0.231 0.000 2.497 40 Y HA 0.524 5.074 4.550 -0.000 0.000 0.334 40 Y C 0.281 176.293 175.900 0.187 0.000 1.199 40 Y CA 0.631 58.905 58.100 0.289 0.000 1.425 40 Y CB 0.508 39.269 38.460 0.501 0.000 1.291 40 Y HN 0.593 nan 8.280 nan 0.000 0.562 41 R N 2.967 123.046 120.500 -0.702 0.000 2.698 41 R HA 0.270 4.610 4.340 -0.001 0.000 0.275 41 R C -0.312 175.482 176.300 -0.843 0.000 1.001 41 R CA -0.549 55.243 56.100 -0.514 0.000 0.896 41 R CB 1.355 31.500 30.300 -0.259 0.000 1.218 41 R HN 0.865 nan 8.270 nan 0.000 0.462 42 T N -2.721 111.581 114.554 -0.421 0.000 2.729 42 T HA 0.036 4.386 4.350 -0.001 0.000 0.298 42 T C 0.936 175.499 174.700 -0.228 0.000 1.013 42 T CA -0.214 61.696 62.100 -0.317 0.000 0.957 42 T CB 0.586 69.357 68.868 -0.161 0.000 1.130 42 T HN 0.525 nan 8.240 nan 0.000 0.526 43 D N -0.789 119.511 120.400 -0.168 0.000 2.348 43 D HA -0.033 4.607 4.640 -0.001 0.000 0.216 43 D C 0.979 177.233 176.300 -0.076 0.000 0.970 43 D CA 0.629 54.561 54.000 -0.114 0.000 0.889 43 D CB -0.153 40.590 40.800 -0.095 0.000 0.912 43 D HN 0.496 nan 8.370 nan 0.000 0.524 44 D N -0.885 119.475 120.400 -0.067 0.000 2.349 44 D HA 0.056 4.696 4.640 -0.001 0.000 0.214 44 D C 0.441 176.726 176.300 -0.025 0.000 1.063 44 D CA 0.111 54.092 54.000 -0.032 0.000 0.847 44 D CB 0.259 41.051 40.800 -0.013 0.000 0.933 44 D HN 0.191 nan 8.370 nan 0.000 0.513 45 C N 1.747 121.016 119.300 -0.051 0.000 4.497 45 C HA -0.146 4.313 4.460 -0.001 0.000 0.292 45 C C 0.278 175.258 174.990 -0.016 0.000 1.366 45 C CA 0.130 59.122 59.018 -0.044 0.000 1.987 45 C CB -2.381 25.354 27.740 -0.008 0.000 1.241 45 C HN 0.305 nan 8.230 nan 0.000 0.788 46 Q N -0.185 119.609 119.800 -0.010 0.000 2.301 46 Q HA 0.550 4.890 4.340 -0.001 0.000 0.267 46 Q C -2.245 173.805 176.000 0.083 0.000 1.035 46 Q CA -2.034 53.797 55.803 0.046 0.000 0.856 46 Q CB 0.966 29.751 28.738 0.078 0.000 1.337 46 Q HN 0.186 nan 8.270 nan 0.000 0.450 47 P HA 0.052 nan 4.420 nan 0.000 0.269 47 P C -1.027 176.491 177.300 0.363 0.000 1.215 47 P CA -0.117 63.107 63.100 0.206 0.000 0.780 47 P CB 0.448 32.237 31.700 0.149 0.000 0.898 48 W N 3.462 124.913 121.300 0.252 0.000 2.554 48 W HA 0.423 5.083 4.660 -0.001 0.000 0.324 48 W C -1.701 174.955 176.519 0.229 0.000 1.018 48 W CA -0.638 56.861 57.345 0.256 0.000 1.243 48 W CB 1.015 30.707 29.460 0.386 0.000 1.345 48 W HN -0.004 nan 8.180 nan 0.000 0.441 49 V N 7.833 127.681 119.914 -0.110 0.000 2.432 49 V HA 0.147 4.266 4.120 -0.001 0.000 0.271 49 V C 0.380 176.066 176.094 -0.679 0.000 1.046 49 V CA -0.741 61.427 62.300 -0.221 0.000 0.945 49 V CB 0.495 32.268 31.823 -0.082 0.000 0.992 49 V HN 0.301 nan 8.190 nan 0.000 0.471 50 L N 9.050 129.879 121.223 -0.656 0.000 2.490 50 L HA 0.140 4.480 4.340 -0.001 0.000 0.274 50 L C -1.138 175.445 176.870 -0.478 0.000 1.201 50 L CA -0.624 53.685 54.840 -0.884 0.000 0.869 50 L CB 0.134 41.921 42.059 -0.452 0.000 1.123 50 L HN 0.419 nan 8.230 nan 0.000 0.484 51 P HA -0.200 nan 4.420 nan 0.000 0.216 51 P C 1.794 179.048 177.300 -0.077 0.000 1.153 51 P CA 0.925 63.934 63.100 -0.152 0.000 0.858 51 P CB 0.208 31.883 31.700 -0.042 0.000 0.789 52 V N -0.548 119.331 119.914 -0.058 0.000 2.490 52 V HA -0.182 3.938 4.120 -0.001 0.000 0.250 52 V C 2.162 178.263 176.094 0.011 0.000 1.061 52 V CA 1.706 64.013 62.300 0.011 0.000 1.064 52 V CB -0.846 31.016 31.823 0.066 0.000 0.670 52 V HN -0.093 nan 8.190 nan 0.000 0.461 53 V N 0.477 120.383 119.914 -0.013 0.000 2.358 53 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 53 V C 2.639 178.723 176.094 -0.017 0.000 1.047 53 V CA 2.438 64.743 62.300 0.009 0.000 1.035 53 V CB -0.796 31.040 31.823 0.022 0.000 0.658 53 V HN 0.525 nan 8.190 nan 0.000 0.452 54 R N 0.166 120.641 120.500 -0.041 0.000 2.091 54 R HA -0.219 4.121 4.340 -0.001 0.000 0.238 54 R C 2.411 178.704 176.300 -0.012 0.000 1.136 54 R CA 1.776 57.859 56.100 -0.028 0.000 0.959 54 R CB -0.422 29.858 30.300 -0.034 0.000 0.856 54 R HN 0.482 nan 8.270 nan 0.000 0.437 55 K N 0.982 121.378 120.400 -0.006 0.000 2.026 55 K HA -0.126 4.193 4.320 -0.001 0.000 0.208 55 K C 1.971 178.574 176.600 0.005 0.000 1.048 55 K CA 1.502 57.793 56.287 0.006 0.000 0.929 55 K CB 0.034 32.544 32.500 0.018 0.000 0.713 55 K HN -0.006 nan 8.250 nan 0.000 0.439 56 V N 1.670 121.587 119.914 0.005 0.000 2.427 56 V HA -0.186 3.934 4.120 -0.001 0.000 0.248 56 V C 1.965 178.049 176.094 -0.017 0.000 1.051 56 V CA 1.844 64.142 62.300 -0.004 0.000 1.048 56 V CB -0.435 31.387 31.823 -0.002 0.000 0.666 56 V HN 0.387 nan 8.190 nan 0.000 0.456 57 E N -0.219 119.970 120.200 -0.018 0.000 2.110 57 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 57 E C 2.381 178.972 176.600 -0.016 0.000 0.988 57 E CA 1.180 57.567 56.400 -0.022 0.000 0.804 57 E CB -0.099 29.589 29.700 -0.019 0.000 0.745 57 E HN 0.596 nan 8.360 nan 0.000 0.458 58 Q N 0.328 120.122 119.800 -0.009 0.000 2.119 58 Q HA -0.097 4.242 4.340 -0.001 0.000 0.201 58 Q C 2.078 178.073 176.000 -0.008 0.000 0.972 58 Q CA 1.065 56.865 55.803 -0.006 0.000 0.847 58 Q CB -0.281 28.457 28.738 -0.001 0.000 0.903 58 Q HN 0.282 nan 8.270 nan 0.000 0.433 59 R N 0.253 120.748 120.500 -0.009 0.000 2.081 59 R HA -0.016 4.323 4.340 -0.001 0.000 0.235 59 R C 2.466 178.753 176.300 -0.020 0.000 1.131 59 R CA 1.020 57.114 56.100 -0.011 0.000 0.960 59 R CB -0.354 29.942 30.300 -0.007 0.000 0.856 59 R HN 0.217 nan 8.270 nan 0.000 0.436 60 I N 0.663 121.216 120.570 -0.027 0.000 2.179 60 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 60 I C 2.598 178.694 176.117 -0.035 0.000 1.088 60 I CA 1.322 62.599 61.300 -0.038 0.000 1.357 60 I CB -0.425 37.547 38.000 -0.047 0.000 1.051 60 I HN 0.195 nan 8.210 nan 0.000 0.409 61 A N 0.488 123.294 122.820 -0.023 0.000 1.978 61 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 61 A C 1.885 179.459 177.584 -0.017 0.000 1.170 61 A CA 1.821 53.849 52.037 -0.016 0.000 0.636 61 A CB -0.539 18.457 19.000 -0.008 0.000 0.810 61 A HN 0.468 nan 8.150 nan 0.000 0.448 62 N N -0.424 118.266 118.700 -0.017 0.000 2.280 62 N HA -0.006 4.733 4.740 -0.001 0.000 0.192 62 N C -0.049 175.449 175.510 -0.021 0.000 1.109 62 N CA 0.018 53.059 53.050 -0.015 0.000 0.855 62 N CB -0.214 38.267 38.487 -0.010 0.000 0.974 62 N HN 0.650 nan 8.380 nan 0.000 0.482 63 N N 1.171 119.853 118.700 -0.030 0.000 2.602 63 N HA 0.010 4.750 4.740 -0.001 0.000 0.238 63 N C 1.175 176.658 175.510 -0.045 0.000 1.084 63 N CA -0.196 52.832 53.050 -0.036 0.000 0.952 63 N CB 0.464 38.926 38.487 -0.041 0.000 1.244 63 N HN -0.020 nan 8.380 nan 0.000 0.512 64 S N 1.431 117.110 115.700 -0.036 0.000 2.500 64 S HA -0.157 4.312 4.470 -0.001 0.000 0.239 64 S C 1.814 176.386 174.600 -0.046 0.000 0.989 64 S CA 1.188 59.365 58.200 -0.037 0.000 0.951 64 S CB -0.216 62.968 63.200 -0.026 0.000 0.759 64 S HN 0.578 nan 8.310 nan 0.000 0.523 65 S N 0.752 116.424 115.700 -0.047 0.000 2.527 65 S HA 0.264 4.734 4.470 -0.001 0.000 0.222 65 S C 0.563 175.121 174.600 -0.070 0.000 0.985 65 S CA -0.503 57.667 58.200 -0.049 0.000 0.921 65 S CB -0.665 62.511 63.200 -0.039 0.000 0.772 65 S HN 0.546 nan 8.310 nan 0.000 0.529 66 L N 3.108 124.274 121.223 -0.094 0.000 2.371 66 L HA 0.442 4.782 4.340 -0.001 0.000 0.272 66 L C 0.286 177.040 176.870 -0.193 0.000 1.124 66 L CA -0.722 54.034 54.840 -0.140 0.000 0.816 66 L CB 0.478 42.441 42.059 -0.161 0.000 1.129 66 L HN 0.419 nan 8.230 nan 0.000 0.448 67 N N -0.633 117.940 118.700 -0.211 0.000 2.890 67 N HA 0.298 5.037 4.740 -0.001 0.000 0.317 67 N C -0.211 175.091 175.510 -0.348 0.000 1.355 67 N CA -0.723 52.191 53.050 -0.227 0.000 0.803 67 N CB 0.697 39.121 38.487 -0.105 0.000 1.465 67 N HN 0.394 nan 8.380 nan 0.000 0.591 68 H N -1.153 117.877 119.070 -0.067 0.000 2.512 68 H HA 0.306 4.862 4.556 -0.001 0.000 0.276 68 H C -0.505 174.747 175.328 -0.127 0.000 1.126 68 H CA -0.287 55.708 56.048 -0.088 0.000 1.060 68 H CB 0.275 29.980 29.762 -0.094 0.000 1.646 68 H HN 0.496 nan 8.280 nan 0.000 0.571 69 E N 0.805 120.989 120.200 -0.027 0.000 2.398 69 E HA -0.017 4.333 4.350 -0.001 0.000 0.263 69 E C -0.131 176.462 176.600 -0.011 0.000 1.046 69 E CA -0.228 56.133 56.400 -0.065 0.000 0.908 69 E CB 0.753 30.442 29.700 -0.018 0.000 0.963 69 E HN 0.170 nan 8.360 nan 0.000 0.431 70 Y N 0.938 121.258 120.300 0.033 0.000 2.904 70 Y HA -0.133 4.416 4.550 -0.001 0.000 0.336 70 Y C 1.153 177.068 175.900 0.024 0.000 1.263 70 Y CA 0.505 58.624 58.100 0.031 0.000 1.547 70 Y CB -0.034 38.446 38.460 0.032 0.000 1.272 70 Y HN 0.257 nan 8.280 nan 0.000 0.596 71 L N 5.615 126.962 121.223 0.207 0.000 2.456 71 L HA 0.288 4.628 4.340 -0.001 0.000 0.257 71 L C -1.863 175.073 176.870 0.110 0.000 1.162 71 L CA -2.031 52.877 54.840 0.114 0.000 0.808 71 L CB 0.280 42.384 42.059 0.076 0.000 1.136 71 L HN 0.433 nan 8.230 nan 0.000 0.466 72 P HA 0.069 nan 4.420 nan 0.000 0.269 72 P C 0.858 178.194 177.300 0.061 0.000 1.217 72 P CA -0.051 63.082 63.100 0.054 0.000 0.783 72 P CB 0.603 32.330 31.700 0.045 0.000 0.898 73 I N 0.670 121.263 120.570 0.038 0.000 2.151 73 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 73 I C 1.885 178.055 176.117 0.088 0.000 1.080 73 I CA 1.723 63.049 61.300 0.044 0.000 1.339 73 I CB -0.487 37.513 38.000 -0.000 0.000 1.039 73 I HN 0.348 nan 8.210 nan 0.000 0.409 74 L N 0.072 121.337 121.223 0.071 0.000 2.552 74 L HA 0.176 4.515 4.340 -0.001 0.000 0.227 74 L C 1.056 177.998 176.870 0.121 0.000 1.146 74 L CA 0.317 55.212 54.840 0.092 0.000 0.858 74 L CB -0.877 41.213 42.059 0.052 0.000 0.969 74 L HN 0.536 nan 8.230 nan 0.000 0.451 75 G N 0.206 109.070 108.800 0.107 0.000 2.498 75 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.651 75 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.651 75 G C -1.053 173.897 174.900 0.083 0.000 1.284 75 G CA -0.797 44.361 45.100 0.096 0.000 0.950 75 G HN -0.083 nan 8.290 nan 0.000 0.511 76 L N 1.423 122.687 121.223 0.068 0.000 2.562 76 L HA 0.538 4.877 4.340 -0.001 0.000 0.271 76 L C 2.078 179.008 176.870 0.101 0.000 1.167 76 L CA 1.635 56.512 54.840 0.062 0.000 0.917 76 L CB 0.328 42.398 42.059 0.019 0.000 1.187 76 L HN 1.812 nan 8.230 nan 0.000 0.482 77 A N 4.056 126.909 122.820 0.055 0.000 1.884 77 A HA -0.229 4.091 4.320 -0.001 0.000 0.219 77 A C 1.906 179.503 177.584 0.022 0.000 1.197 77 A CA 1.996 54.054 52.037 0.035 0.000 0.637 77 A CB -0.512 18.498 19.000 0.016 0.000 0.827 77 A HN 0.859 nan 8.150 nan 0.000 0.450 78 E N -1.059 119.153 120.200 0.020 0.000 2.110 78 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 78 E C 1.618 178.209 176.600 -0.015 0.000 0.988 78 E CA 1.339 57.736 56.400 -0.004 0.000 0.804 78 E CB -0.474 29.223 29.700 -0.005 0.000 0.745 78 E HN 0.739 nan 8.360 nan 0.000 0.458 79 F N 1.359 121.240 119.950 -0.114 0.000 2.113 79 F HA -0.107 4.419 4.527 -0.000 0.000 0.297 79 F C 2.013 177.741 175.800 -0.121 0.000 1.103 79 F CA 1.443 59.341 58.000 -0.169 0.000 1.248 79 F CB -0.045 38.831 39.000 -0.207 0.000 0.999 79 F HN -0.185 nan 8.300 nan 0.000 0.475 80 R N -0.164 120.248 120.500 -0.147 0.000 2.083 80 R HA -0.140 4.199 4.340 -0.001 0.000 0.237 80 R C 2.194 178.355 176.300 -0.231 0.000 1.137 80 R CA 2.160 58.136 56.100 -0.207 0.000 0.951 80 R CB -1.143 29.155 30.300 -0.003 0.000 0.851 80 R HN 0.274 nan 8.270 nan 0.000 0.434 81 T N 0.189 114.653 114.554 -0.150 0.000 2.674 81 T HA -0.183 4.167 4.350 -0.001 0.000 0.265 81 T C 2.056 176.670 174.700 -0.143 0.000 1.039 81 T CA 1.444 63.475 62.100 -0.114 0.000 1.150 81 T CB -0.336 68.490 68.868 -0.069 0.000 0.864 81 T HN 0.364 nan 8.240 nan 0.000 0.427 82 C N 1.507 120.695 119.300 -0.187 0.000 2.429 82 C HA 0.081 4.540 4.460 -0.001 0.000 0.277 82 C C 3.214 178.092 174.990 -0.187 0.000 1.262 82 C CA 0.381 59.298 59.018 -0.168 0.000 1.733 82 C CB -1.418 26.218 27.740 -0.174 0.000 2.010 82 C HN 0.662 nan 8.230 nan 0.000 0.483 83 A N 0.251 122.833 122.820 -0.397 0.000 1.902 83 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 83 A C 2.275 179.822 177.584 -0.061 0.000 1.181 83 A CA 2.331 54.216 52.037 -0.254 0.000 0.623 83 A CB -0.805 17.802 19.000 -0.655 0.000 0.818 83 A HN 0.551 nan 8.150 nan 0.000 0.443 84 S N -0.931 114.701 115.700 -0.113 0.000 2.368 84 S HA -0.156 4.314 4.470 -0.001 0.000 0.225 84 S C 2.078 176.662 174.600 -0.027 0.000 1.030 84 S CA 1.396 59.563 58.200 -0.055 0.000 0.999 84 S CB -0.322 62.840 63.200 -0.063 0.000 0.844 84 S HN 0.679 nan 8.310 nan 0.000 0.459 85 R N 0.720 121.201 120.500 -0.032 0.000 2.096 85 R HA -0.056 4.284 4.340 -0.001 0.000 0.235 85 R C 2.253 178.573 176.300 0.033 0.000 1.127 85 R CA 1.036 57.130 56.100 -0.011 0.000 0.968 85 R CB -0.397 29.887 30.300 -0.027 0.000 0.861 85 R HN 0.331 nan 8.270 nan 0.000 0.440 86 L N 0.527 121.797 121.223 0.078 0.000 2.017 86 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 86 L C 2.276 179.218 176.870 0.120 0.000 1.073 86 L CA 2.230 57.173 54.840 0.172 0.000 0.745 86 L CB -0.571 41.666 42.059 0.296 0.000 0.894 86 L HN 0.270 nan 8.230 nan 0.000 0.432 87 A N -0.912 121.947 122.820 0.065 0.000 1.897 87 A HA -0.060 4.259 4.320 -0.001 0.000 0.215 87 A C 2.157 179.723 177.584 -0.030 0.000 1.181 87 A CA 1.734 53.774 52.037 0.004 0.000 0.620 87 A CB -0.684 18.296 19.000 -0.033 0.000 0.821 87 A HN 0.481 nan 8.150 nan 0.000 0.443 88 L N -1.430 119.778 121.223 -0.025 0.000 2.375 88 L HA 0.302 4.642 4.340 -0.001 0.000 0.215 88 L C 1.148 178.006 176.870 -0.021 0.000 1.108 88 L CA 0.426 55.241 54.840 -0.042 0.000 0.830 88 L CB -0.671 41.364 42.059 -0.039 0.000 0.959 88 L HN 0.595 nan 8.230 nan 0.000 0.457 89 G N 0.593 109.396 108.800 0.005 0.000 2.712 89 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.686 89 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.686 89 G C -0.076 174.826 174.900 0.002 0.000 1.181 89 G CA -0.267 44.843 45.100 0.017 0.000 0.762 89 G HN 0.175 nan 8.290 nan 0.000 0.641 90 D N 0.908 121.308 120.400 0.000 0.000 2.149 90 D HA -0.130 4.510 4.640 -0.001 0.000 0.198 90 D C 1.691 177.985 176.300 -0.010 0.000 0.990 90 D CA 1.742 55.734 54.000 -0.014 0.000 0.839 90 D CB -0.023 40.761 40.800 -0.027 0.000 0.948 90 D HN 0.723 nan 8.370 nan 0.000 0.460 91 D N 0.342 120.741 120.400 -0.002 0.000 2.328 91 D HA -0.030 4.610 4.640 -0.001 0.000 0.221 91 D C 0.402 176.701 176.300 -0.003 0.000 1.072 91 D CA -0.179 53.821 54.000 -0.000 0.000 0.850 91 D CB -0.292 40.513 40.800 0.008 0.000 0.922 91 D HN -0.168 nan 8.370 nan 0.000 0.516 92 S N 1.830 117.525 115.700 -0.008 0.000 2.552 92 S HA 0.041 4.511 4.470 -0.001 0.000 0.289 92 S C -1.088 173.505 174.600 -0.012 0.000 1.304 92 S CA -0.901 57.290 58.200 -0.014 0.000 1.063 92 S CB 1.041 64.228 63.200 -0.021 0.000 0.848 92 S HN 0.009 nan 8.310 nan 0.000 0.499 93 P HA -0.080 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 1.561 64.654 63.100 -0.011 0.000 0.832 93 P CB -0.201 31.491 31.700 -0.013 0.000 0.787 94 A N 0.133 122.948 122.820 -0.009 0.000 1.940 94 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 94 A C 2.452 180.033 177.584 -0.005 0.000 1.176 94 A CA 1.423 53.458 52.037 -0.003 0.000 0.631 94 A CB -1.592 17.408 19.000 -0.000 0.000 0.814 94 A HN 0.137 nan 8.150 nan 0.000 0.446 95 L N -1.366 119.851 121.223 -0.010 0.000 2.072 95 L HA -0.215 4.124 4.340 -0.001 0.000 0.205 95 L C 2.886 179.750 176.870 -0.010 0.000 1.079 95 L CA 1.517 56.350 54.840 -0.012 0.000 0.752 95 L CB -0.581 41.468 42.059 -0.017 0.000 0.906 95 L HN 0.457 nan 8.230 nan 0.000 0.436 96 Q N 0.038 119.833 119.800 -0.009 0.000 2.124 96 Q HA -0.213 4.126 4.340 -0.001 0.000 0.202 96 Q C 1.588 177.584 176.000 -0.006 0.000 0.977 96 Q CA 1.425 57.223 55.803 -0.008 0.000 0.850 96 Q CB 0.024 28.758 28.738 -0.007 0.000 0.901 96 Q HN 0.466 nan 8.270 nan 0.000 0.429 97 E N 0.326 120.524 120.200 -0.004 0.000 2.494 97 E HA -0.021 4.328 4.350 -0.001 0.000 0.193 97 E C -0.473 176.127 176.600 -0.000 0.000 1.074 97 E CA -0.118 56.281 56.400 -0.002 0.000 0.867 97 E CB 0.375 30.076 29.700 0.000 0.000 0.924 97 E HN 0.043 nan 8.360 nan 0.000 0.502 98 K N 0.591 120.989 120.400 -0.003 0.000 3.071 98 K HA -0.235 4.084 4.320 -0.001 0.000 0.262 98 K C -0.124 176.476 176.600 0.001 0.000 0.977 98 K CA 0.918 57.203 56.287 -0.003 0.000 0.721 98 K CB -1.790 30.708 32.500 -0.004 0.000 1.293 98 K HN 0.457 nan 8.250 nan 0.000 0.475 99 R N -0.973 119.531 120.500 0.005 0.000 2.791 99 R HA 0.319 4.659 4.340 -0.001 0.000 0.357 99 R C -0.083 176.228 176.300 0.018 0.000 1.173 99 R CA -0.544 55.565 56.100 0.015 0.000 1.060 99 R CB 0.472 30.786 30.300 0.023 0.000 1.406 99 R HN -0.072 nan 8.270 nan 0.000 0.580 100 V N 0.149 120.066 119.914 0.005 0.000 2.656 100 V HA 0.752 4.871 4.120 -0.001 0.000 0.307 100 V C 0.121 176.206 176.094 -0.016 0.000 1.051 100 V CA -0.795 61.504 62.300 -0.002 0.000 0.893 100 V CB 1.957 33.774 31.823 -0.009 0.000 0.999 100 V HN 0.466 nan 8.190 nan 0.000 0.426 101 G N 1.523 110.307 108.800 -0.026 0.000 2.563 101 G HA2 0.765 4.724 3.960 -0.001 0.000 0.302 101 G HA3 0.765 4.724 3.960 -0.001 0.000 0.302 101 G C -0.676 174.189 174.900 -0.059 0.000 1.301 101 G CA -0.459 44.614 45.100 -0.044 0.000 0.965 101 G HN 1.100 nan 8.290 nan 0.000 0.480 102 G N -1.013 107.758 108.800 -0.049 0.000 2.638 102 G HA2 0.576 4.535 3.960 -0.001 0.000 0.302 102 G HA3 0.576 4.535 3.960 -0.001 0.000 0.302 102 G C -1.471 173.427 174.900 -0.003 0.000 1.365 102 G CA -0.473 44.604 45.100 -0.039 0.000 0.987 102 G HN 0.876 nan 8.290 nan 0.000 0.495 103 V N 2.075 122.002 119.914 0.021 0.000 2.407 103 V HA 0.341 4.460 4.120 -0.001 0.000 0.291 103 V C 0.340 176.546 176.094 0.187 0.000 1.018 103 V CA -0.771 61.578 62.300 0.082 0.000 0.842 103 V CB 1.280 33.127 31.823 0.040 0.000 0.996 103 V HN 0.882 nan 8.190 nan 0.000 0.426 104 Q N 3.533 123.479 119.800 0.243 0.000 2.300 104 Q HA 0.367 4.706 4.340 -0.001 0.000 0.280 104 Q C 0.149 176.293 176.000 0.240 0.000 1.033 104 Q CA 0.184 56.169 55.803 0.304 0.000 0.903 104 Q CB 0.804 29.661 28.738 0.199 0.000 1.195 104 Q HN 0.981 nan 8.270 nan 0.000 0.386 105 S N 3.365 119.166 115.700 0.169 0.000 2.732 105 S HA 0.444 4.914 4.470 -0.001 0.000 0.293 105 S C -0.651 173.805 174.600 -0.240 0.000 1.159 105 S CA -1.054 57.206 58.200 0.100 0.000 0.847 105 S CB 0.825 64.218 63.200 0.321 0.000 1.169 105 S HN 0.592 nan 8.310 nan 0.000 0.501 106 L N 2.701 123.576 121.223 -0.580 0.000 2.395 106 L HA 0.443 4.782 4.340 -0.001 0.000 0.268 106 L C 1.413 178.173 176.870 -0.182 0.000 1.223 106 L CA 1.736 56.267 54.840 -0.516 0.000 1.093 106 L CB -0.999 40.552 42.059 -0.846 0.000 1.349 106 L HN 1.291 nan 8.230 nan 0.000 0.427 107 G N 2.630 111.368 108.800 -0.102 0.000 2.752 107 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.234 107 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.234 107 G C 0.892 175.801 174.900 0.015 0.000 1.367 107 G CA -0.218 44.868 45.100 -0.024 0.000 0.879 107 G HN 0.678 nan 8.290 nan 0.000 0.563 108 G N -1.649 107.136 108.800 -0.025 0.000 2.432 108 G HA2 0.063 4.023 3.960 -0.001 0.000 0.219 108 G HA3 0.063 4.023 3.960 -0.001 0.000 0.219 108 G C 1.864 176.798 174.900 0.057 0.000 1.135 108 G CA 2.347 47.427 45.100 -0.034 0.000 0.767 108 G HN 1.206 nan 8.290 nan 0.000 0.550 109 T N 1.031 115.651 114.554 0.109 0.000 2.708 109 T HA -0.068 4.282 4.350 -0.001 0.000 0.266 109 T C 2.514 177.341 174.700 0.212 0.000 1.037 109 T CA 1.487 63.730 62.100 0.239 0.000 1.146 109 T CB -0.604 68.434 68.868 0.284 0.000 0.865 109 T HN 0.345 nan 8.240 nan 0.000 0.435 110 G N 1.056 109.961 108.800 0.176 0.000 2.418 110 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.217 110 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.217 110 G C 1.832 176.948 174.900 0.360 0.000 1.158 110 G CA 0.925 46.200 45.100 0.292 0.000 0.771 110 G HN 0.587 nan 8.290 nan 0.000 0.545 111 A N 0.571 123.545 122.820 0.256 0.000 1.902 111 A HA 0.086 4.405 4.320 -0.001 0.000 0.217 111 A C 2.444 180.216 177.584 0.312 0.000 1.181 111 A CA 1.301 53.496 52.037 0.264 0.000 0.623 111 A CB -0.433 18.693 19.000 0.211 0.000 0.818 111 A HN 0.352 nan 8.150 nan 0.000 0.443 112 L N -1.201 120.182 121.223 0.267 0.000 2.046 112 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 112 L C 2.781 179.733 176.870 0.137 0.000 1.077 112 L CA 1.768 56.727 54.840 0.197 0.000 0.747 112 L CB -0.403 41.714 42.059 0.095 0.000 0.896 112 L HN 0.385 nan 8.230 nan 0.000 0.432 113 R N 0.619 121.203 120.500 0.141 0.000 2.073 113 R HA -0.163 4.176 4.340 -0.001 0.000 0.234 113 R C 2.087 178.474 176.300 0.145 0.000 1.134 113 R CA 1.741 57.901 56.100 0.101 0.000 0.952 113 R CB -0.518 29.875 30.300 0.156 0.000 0.850 113 R HN 0.141 nan 8.270 nan 0.000 0.433 114 I N 0.211 120.898 120.570 0.194 0.000 2.226 114 I HA -0.112 4.058 4.170 -0.001 0.000 0.245 114 I C 2.248 178.509 176.117 0.240 0.000 1.100 114 I CA 1.808 63.197 61.300 0.149 0.000 1.374 114 I CB -1.786 36.287 38.000 0.121 0.000 1.057 114 I HN 0.430 nan 8.210 nan 0.000 0.413 115 G N 0.638 109.631 108.800 0.321 0.000 2.421 115 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 115 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 115 G C 1.874 177.222 174.900 0.745 0.000 1.171 115 G CA 1.064 46.458 45.100 0.490 0.000 0.775 115 G HN 0.489 nan 8.290 nan 0.000 0.543 116 A N 0.660 123.828 122.820 0.579 0.000 1.902 116 A HA -0.023 4.296 4.320 -0.001 0.000 0.217 116 A C 2.241 180.085 177.584 0.433 0.000 1.181 116 A CA 1.920 54.236 52.037 0.464 0.000 0.623 116 A CB -0.332 18.547 19.000 -0.203 0.000 0.818 116 A HN 0.309 nan 8.150 nan 0.000 0.443 117 E N -1.005 119.354 120.200 0.266 0.000 2.077 117 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 117 E C 1.777 178.501 176.600 0.207 0.000 0.989 117 E CA 1.170 57.662 56.400 0.153 0.000 0.800 117 E CB -0.457 29.301 29.700 0.096 0.000 0.746 117 E HN 0.709 nan 8.360 nan 0.000 0.452 118 F N 1.652 121.748 119.950 0.244 0.000 2.075 118 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 118 F C 2.202 178.219 175.800 0.362 0.000 1.113 118 F CA 1.266 59.473 58.000 0.345 0.000 1.218 118 F CB -0.317 38.910 39.000 0.379 0.000 0.984 118 F HN -0.100 nan 8.300 nan 0.000 0.472 119 L N 0.166 121.706 121.223 0.528 0.000 2.079 119 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 119 L C 2.747 179.800 176.870 0.304 0.000 1.081 119 L CA 1.178 56.265 54.840 0.411 0.000 0.752 119 L CB -1.277 41.054 42.059 0.454 0.000 0.896 119 L HN 0.267 nan 8.230 nan 0.000 0.433 120 A N -0.207 122.704 122.820 0.152 0.000 2.121 120 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 120 A C 2.353 179.747 177.584 -0.316 0.000 1.154 120 A CA 1.385 53.236 52.037 -0.309 0.000 0.679 120 A CB -0.328 18.314 19.000 -0.597 0.000 0.795 120 A HN 0.360 nan 8.150 nan 0.000 0.458 121 R N -3.129 117.141 120.500 -0.384 0.000 2.167 121 R HA 0.088 4.427 4.340 -0.001 0.000 0.201 121 R C 0.878 176.608 176.300 -0.951 0.000 1.024 121 R CA 0.880 56.522 56.100 -0.763 0.000 1.053 121 R CB 0.027 29.696 30.300 -1.052 0.000 0.987 121 R HN 0.692 nan 8.270 nan 0.000 0.493 122 W N -1.427 119.649 121.300 -0.373 0.000 2.714 122 W HA 0.269 4.929 4.660 0.000 0.000 0.353 122 W C -0.430 175.985 176.519 -0.173 0.000 0.999 122 W CA -0.770 56.360 57.345 -0.358 0.000 1.629 122 W CB 0.583 29.615 29.460 -0.714 0.000 1.106 122 W HN -0.096 nan 8.180 nan 0.000 0.545 123 Y N 2.314 122.589 120.300 -0.043 0.000 2.360 123 Y HA 0.280 4.830 4.550 -0.001 0.000 0.337 123 Y C 0.982 176.866 175.900 -0.026 0.000 1.039 123 Y CA -0.887 57.207 58.100 -0.011 0.000 1.109 123 Y CB 0.541 38.977 38.460 -0.041 0.000 1.201 123 Y HN 0.156 nan 8.280 nan 0.000 0.458 124 N N 3.888 122.083 118.700 -0.842 0.000 2.740 124 N HA -0.182 4.557 4.740 -0.001 0.000 0.248 124 N C -0.074 175.225 175.510 -0.352 0.000 1.062 124 N CA 0.726 53.325 53.050 -0.752 0.000 0.704 124 N CB -1.165 36.839 38.487 -0.805 0.000 0.968 124 N HN 1.455 nan 8.380 nan 0.000 0.547 125 G N -1.242 107.405 108.800 -0.255 0.000 2.483 125 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.521 125 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.521 125 G C -0.435 174.399 174.900 -0.111 0.000 1.278 125 G CA -0.152 44.858 45.100 -0.150 0.000 0.965 125 G HN 0.897 nan 8.290 nan 0.000 0.504 126 T N -1.817 112.666 114.554 -0.119 0.000 2.794 126 T HA 0.576 4.926 4.350 -0.001 0.000 0.280 126 T C 0.449 175.003 174.700 -0.244 0.000 0.987 126 T CA 0.359 62.334 62.100 -0.209 0.000 0.993 126 T CB 1.455 70.222 68.868 -0.167 0.000 0.939 126 T HN 1.713 nan 8.240 nan 0.000 0.449 127 N N 1.097 119.591 118.700 -0.343 0.000 2.725 127 N HA -0.174 4.565 4.740 -0.001 0.000 0.251 127 N C -0.768 174.625 175.510 -0.195 0.000 1.031 127 N CA 0.524 53.397 53.050 -0.294 0.000 0.720 127 N CB -1.323 37.002 38.487 -0.270 0.000 0.930 127 N HN 0.815 nan 8.380 nan 0.000 0.543 128 N N 1.276 119.884 118.700 -0.153 0.000 2.469 128 N HA 0.121 4.860 4.740 -0.001 0.000 0.239 128 N C 0.688 176.173 175.510 -0.043 0.000 1.053 128 N CA -0.278 52.730 53.050 -0.069 0.000 0.937 128 N CB 0.583 39.049 38.487 -0.034 0.000 1.163 128 N HN -0.002 nan 8.380 nan 0.000 0.509 129 K N 1.739 122.092 120.400 -0.078 0.000 2.374 129 K HA 0.132 4.452 4.320 -0.001 0.000 0.196 129 K C -0.097 176.575 176.600 0.119 0.000 1.023 129 K CA 0.149 56.368 56.287 -0.113 0.000 1.103 129 K CB 0.699 33.098 32.500 -0.168 0.000 0.848 129 K HN 0.500 nan 8.250 nan 0.000 0.528 130 D N 1.011 121.489 120.400 0.129 0.000 2.354 130 D HA -0.014 4.626 4.640 -0.001 0.000 0.209 130 D C -0.058 176.369 176.300 0.211 0.000 1.015 130 D CA 0.358 54.447 54.000 0.148 0.000 0.867 130 D CB 0.240 41.090 40.800 0.083 0.000 0.933 130 D HN -0.011 nan 8.370 nan 0.000 0.520 131 T N 3.511 118.241 114.554 0.294 0.000 2.867 131 T HA 0.125 4.474 4.350 -0.001 0.000 0.297 131 T C -2.373 172.461 174.700 0.223 0.000 0.989 131 T CA -0.875 61.401 62.100 0.294 0.000 1.159 131 T CB 1.038 70.149 68.868 0.405 0.000 0.928 131 T HN -0.046 nan 8.240 nan 0.000 0.538 132 P HA 0.240 nan 4.420 nan 0.000 0.268 132 P C -0.900 176.371 177.300 -0.048 0.000 1.205 132 P CA -0.367 62.759 63.100 0.044 0.000 0.771 132 P CB 0.516 32.283 31.700 0.112 0.000 0.858 133 V N 4.640 124.401 119.914 -0.255 0.000 2.448 133 V HA 0.309 4.429 4.120 -0.001 0.000 0.295 133 V C -0.675 175.149 176.094 -0.449 0.000 1.025 133 V CA -0.415 61.637 62.300 -0.414 0.000 0.859 133 V CB 0.651 32.071 31.823 -0.672 0.000 0.988 133 V HN 0.395 nan 8.190 nan 0.000 0.431 134 Y N 3.797 123.746 120.300 -0.585 0.000 2.341 134 Y HA 0.671 5.221 4.550 -0.001 0.000 0.337 134 Y C 0.214 175.888 175.900 -0.376 0.000 1.014 134 Y CA -0.766 57.000 58.100 -0.557 0.000 1.111 134 Y CB 2.104 39.892 38.460 -1.121 0.000 1.194 134 Y HN 0.540 nan 8.280 nan 0.000 0.462 135 V N -0.041 119.749 119.914 -0.208 0.000 2.864 135 V HA 0.777 4.897 4.120 -0.001 0.000 0.314 135 V C -0.024 175.621 176.094 -0.748 0.000 1.073 135 V CA -1.196 60.929 62.300 -0.292 0.000 0.956 135 V CB 1.488 33.191 31.823 -0.201 0.000 1.023 135 V HN 0.773 nan 8.190 nan 0.000 0.435 136 S N 1.952 117.105 115.700 -0.911 0.000 2.584 136 S HA 0.402 4.872 4.470 -0.001 0.000 0.270 136 S C 0.276 174.579 174.600 -0.495 0.000 1.346 136 S CA -0.006 57.466 58.200 -1.214 0.000 1.018 136 S CB 1.137 63.840 63.200 -0.828 0.000 0.899 136 S HN 1.342 nan 8.310 nan 0.000 0.542 137 S N 3.192 118.686 115.700 -0.343 0.000 2.528 137 S HA 0.520 4.990 4.470 -0.001 0.000 0.303 137 S C -2.276 172.349 174.600 0.043 0.000 1.123 137 S CA -1.510 56.636 58.200 -0.090 0.000 1.138 137 S CB 0.307 63.491 63.200 -0.027 0.000 0.984 137 S HN 0.714 nan 8.310 nan 0.000 0.474 138 P HA 0.554 nan 4.420 nan 0.000 0.301 138 P C -0.399 176.868 177.300 -0.054 0.000 1.309 138 P CA -0.400 62.684 63.100 -0.027 0.000 0.782 138 P CB 1.552 33.247 31.700 -0.009 0.000 1.282 139 T N -2.057 112.474 114.554 -0.038 0.000 2.754 139 T HA 0.344 4.694 4.350 -0.001 0.000 0.296 139 T C -1.879 172.835 174.700 0.024 0.000 1.205 139 T CA -0.517 61.598 62.100 0.025 0.000 1.009 139 T CB 0.255 69.253 68.868 0.216 0.000 1.368 139 T HN 0.377 nan 8.240 nan 0.000 0.509 140 W N 4.004 125.203 121.300 -0.168 0.000 2.591 140 W HA 0.191 4.851 4.660 -0.000 0.000 0.330 140 W C 1.681 178.046 176.519 -0.256 0.000 1.435 140 W CA -0.499 56.671 57.345 -0.290 0.000 1.350 140 W CB 0.415 29.616 29.460 -0.432 0.000 1.434 140 W HN 0.781 nan 8.180 nan 0.000 0.553 141 E N 2.960 122.859 120.200 -0.503 0.000 2.169 141 E HA -0.391 3.958 4.350 -0.001 0.000 0.202 141 E C 1.273 177.535 176.600 -0.564 0.000 1.016 141 E CA 2.048 58.184 56.400 -0.440 0.000 0.817 141 E CB -0.712 28.765 29.700 -0.372 0.000 0.736 141 E HN 0.597 nan 8.360 nan 0.000 0.462 142 N N 0.410 118.419 118.700 -1.153 0.000 2.550 142 N HA -0.077 4.662 4.740 -0.001 0.000 0.186 142 N C 1.422 176.703 175.510 -0.382 0.000 1.110 142 N CA 0.512 53.023 53.050 -0.899 0.000 0.912 142 N CB -0.283 37.381 38.487 -1.371 0.000 0.968 142 N HN 0.460 nan 8.380 nan 0.000 0.448 143 H N -0.827 118.119 119.070 -0.207 0.000 2.321 143 H HA -0.039 4.516 4.556 -0.001 0.000 0.300 143 H C 1.336 176.768 175.328 0.175 0.000 1.087 143 H CA 1.471 57.599 56.048 0.133 0.000 1.319 143 H CB 0.189 30.043 29.762 0.153 0.000 1.379 143 H HN 0.324 nan 8.280 nan 0.000 0.501 144 N N -0.161 118.641 118.700 0.171 0.000 2.084 144 N HA -0.134 4.606 4.740 -0.001 0.000 0.190 144 N C 2.157 177.749 175.510 0.137 0.000 1.030 144 N CA 1.142 54.267 53.050 0.125 0.000 0.849 144 N CB -0.632 37.874 38.487 0.033 0.000 1.012 144 N HN 0.340 nan 8.380 nan 0.000 0.423 145 G N 0.613 109.445 108.800 0.052 0.000 2.476 145 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 145 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 145 G C 1.582 176.517 174.900 0.058 0.000 1.164 145 G CA 1.007 46.125 45.100 0.029 0.000 0.768 145 G HN 0.191 nan 8.290 nan 0.000 0.560 146 V N 0.119 120.069 119.914 0.061 0.000 2.295 146 V HA -0.104 4.016 4.120 -0.001 0.000 0.246 146 V C 2.513 178.573 176.094 -0.056 0.000 1.049 146 V CA 1.672 63.964 62.300 -0.015 0.000 1.024 146 V CB -0.584 31.207 31.823 -0.053 0.000 0.648 146 V HN 0.341 nan 8.190 nan 0.000 0.447 147 F N 0.159 120.191 119.950 0.136 0.000 2.259 147 F HA -0.120 4.406 4.527 -0.001 0.000 0.298 147 F C 2.579 178.532 175.800 0.255 0.000 1.088 147 F CA 1.718 59.852 58.000 0.224 0.000 1.358 147 F CB -0.920 38.142 39.000 0.102 0.000 1.040 147 F HN 0.046 nan 8.300 nan 0.000 0.505 148 T N -0.964 113.764 114.554 0.290 0.000 2.737 148 T HA -0.154 4.195 4.350 -0.001 0.000 0.265 148 T C 1.994 176.764 174.700 0.117 0.000 1.038 148 T CA 2.021 64.232 62.100 0.185 0.000 1.144 148 T CB -0.462 68.475 68.868 0.115 0.000 0.866 148 T HN 0.227 nan 8.240 nan 0.000 0.434 149 T N 1.952 116.556 114.554 0.084 0.000 2.833 149 T HA 0.011 4.361 4.350 -0.001 0.000 0.269 149 T C 2.234 176.946 174.700 0.019 0.000 1.054 149 T CA 1.014 63.138 62.100 0.039 0.000 1.135 149 T CB -0.384 68.501 68.868 0.028 0.000 0.869 149 T HN 0.399 nan 8.240 nan 0.000 0.466 150 A N 0.391 123.235 122.820 0.041 0.000 2.168 150 A HA 0.443 4.763 4.320 -0.001 0.000 0.215 150 A C 2.112 179.621 177.584 -0.125 0.000 1.152 150 A CA 1.286 53.321 52.037 -0.004 0.000 0.716 150 A CB -0.679 18.365 19.000 0.074 0.000 0.794 150 A HN 0.739 nan 8.150 nan 0.000 0.465 151 G N -2.541 106.213 108.800 -0.078 0.000 2.211 151 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.201 151 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.201 151 G C 0.016 174.825 174.900 -0.152 0.000 0.997 151 G CA -0.209 44.798 45.100 -0.155 0.000 0.652 151 G HN 0.279 nan 8.290 nan 0.000 0.500 152 F N 2.001 122.006 119.950 0.092 0.000 2.578 152 F HA 0.360 4.887 4.527 -0.001 0.000 0.381 152 F C 1.766 177.602 175.800 0.059 0.000 1.069 152 F CA 0.775 58.834 58.000 0.097 0.000 1.231 152 F CB 0.854 39.953 39.000 0.164 0.000 1.086 152 F HN 0.021 nan 8.300 nan 0.000 0.564 153 K N 0.527 121.053 120.400 0.209 0.000 2.262 153 K HA -0.026 4.294 4.320 -0.001 0.000 0.200 153 K C 0.003 176.659 176.600 0.094 0.000 1.049 153 K CA 0.635 56.990 56.287 0.114 0.000 0.979 153 K CB 0.186 32.728 32.500 0.070 0.000 0.773 153 K HN 0.390 nan 8.250 nan 0.000 0.474 154 D N 1.125 121.591 120.400 0.111 0.000 2.438 154 D HA 0.162 4.801 4.640 -0.001 0.000 0.257 154 D C -1.145 175.122 176.300 -0.054 0.000 1.148 154 D CA -0.391 53.623 54.000 0.022 0.000 0.902 154 D CB 0.501 41.320 40.800 0.032 0.000 1.062 154 D HN -0.095 nan 8.370 nan 0.000 0.518 155 I N 3.899 124.421 120.570 -0.081 0.000 2.330 155 I HA 0.374 4.544 4.170 -0.001 0.000 0.289 155 I C 0.750 176.722 176.117 -0.241 0.000 1.001 155 I CA -0.479 60.721 61.300 -0.166 0.000 1.193 155 I CB 1.057 39.009 38.000 -0.080 0.000 1.345 155 I HN 0.140 nan 8.210 nan 0.000 0.461 156 R N 3.320 123.560 120.500 -0.433 0.000 2.828 156 R HA 0.684 5.023 4.340 -0.001 0.000 0.264 156 R C -0.448 175.626 176.300 -0.378 0.000 1.022 156 R CA -0.767 55.031 56.100 -0.503 0.000 1.021 156 R CB 2.078 31.768 30.300 -1.017 0.000 1.163 156 R HN 0.481 nan 8.270 nan 0.000 0.494 157 S N 0.446 116.027 115.700 -0.198 0.000 2.537 157 S HA 0.470 4.939 4.470 -0.001 0.000 0.301 157 S C -1.353 173.333 174.600 0.143 0.000 1.092 157 S CA -0.731 57.408 58.200 -0.102 0.000 1.048 157 S CB 0.893 64.042 63.200 -0.086 0.000 1.053 157 S HN 0.463 nan 8.310 nan 0.000 0.501 158 Y N -0.239 120.147 120.300 0.143 0.000 2.409 158 Y HA 0.775 5.325 4.550 -0.001 0.000 0.339 158 Y C -0.098 175.841 175.900 0.066 0.000 1.033 158 Y CA -1.499 56.718 58.100 0.195 0.000 1.094 158 Y CB 0.439 39.054 38.460 0.259 0.000 1.210 158 Y HN 0.369 nan 8.280 nan 0.000 0.456 159 R N 1.818 122.491 120.500 0.287 0.000 2.623 159 R HA 0.114 4.453 4.340 -0.001 0.000 0.271 159 R C -0.729 175.691 176.300 0.201 0.000 1.043 159 R CA 0.669 56.880 56.100 0.185 0.000 1.083 159 R CB 0.052 30.453 30.300 0.167 0.000 0.974 159 R HN 0.940 nan 8.270 nan 0.000 0.436 160 Y N 1.031 121.316 120.300 -0.025 0.000 3.299 160 Y HA 0.129 4.679 4.550 -0.001 0.000 0.195 160 Y C -0.814 175.087 175.900 0.000 0.000 0.972 160 Y CA -0.120 57.934 58.100 -0.078 0.000 1.633 160 Y CB 0.334 38.649 38.460 -0.242 0.000 1.465 160 Y HN 0.607 nan 8.280 nan 0.000 0.367 161 W N 4.287 125.574 121.300 -0.023 0.000 2.316 161 W HA 0.319 4.979 4.660 -0.001 0.000 0.311 161 W C -1.039 175.461 176.519 -0.031 0.000 1.217 161 W CA -0.055 57.255 57.345 -0.058 0.000 1.199 161 W CB 1.067 30.545 29.460 0.030 0.000 1.202 161 W HN 0.156 nan 8.180 nan 0.000 0.528 162 D N 4.443 124.327 120.400 -0.859 0.000 2.412 162 D HA 0.028 4.667 4.640 -0.001 0.000 0.224 162 D C 1.564 177.262 176.300 -1.004 0.000 1.093 162 D CA 0.042 53.627 54.000 -0.690 0.000 0.850 162 D CB 1.412 41.908 40.800 -0.508 0.000 1.046 162 D HN 0.493 nan 8.370 nan 0.000 0.507 163 T N 1.528 115.774 114.554 -0.513 0.000 2.720 163 T HA -0.186 4.164 4.350 -0.001 0.000 0.268 163 T C 1.342 175.900 174.700 -0.236 0.000 1.037 163 T CA 0.887 62.876 62.100 -0.185 0.000 1.144 163 T CB 0.052 68.973 68.868 0.089 0.000 0.864 163 T HN 0.240 nan 8.240 nan 0.000 0.444 164 E N 1.569 121.628 120.200 -0.235 0.000 2.017 164 E HA -0.053 4.296 4.350 -0.001 0.000 0.193 164 E C 2.355 178.794 176.600 -0.269 0.000 0.997 164 E CA 1.131 57.408 56.400 -0.205 0.000 0.804 164 E CB -0.247 29.356 29.700 -0.161 0.000 0.757 164 E HN 0.501 nan 8.360 nan 0.000 0.448 165 K N 0.435 120.639 120.400 -0.328 0.000 2.439 165 K HA 0.017 4.336 4.320 -0.001 0.000 0.197 165 K C 0.333 176.667 176.600 -0.444 0.000 1.041 165 K CA 0.043 56.130 56.287 -0.333 0.000 0.970 165 K CB -0.026 32.293 32.500 -0.301 0.000 0.773 165 K HN 0.068 nan 8.250 nan 0.000 0.479 166 R N -0.167 119.942 120.500 -0.651 0.000 3.336 166 R HA -0.181 4.159 4.340 -0.001 0.000 0.260 166 R C 0.369 176.211 176.300 -0.764 0.000 1.032 166 R CA 0.636 56.261 56.100 -0.791 0.000 0.693 166 R CB -1.680 28.283 30.300 -0.562 0.000 1.134 166 R HN 0.518 nan 8.270 nan 0.000 0.433 167 G N -1.137 107.058 108.800 -1.009 0.000 2.634 167 G HA2 0.499 4.459 3.960 -0.001 0.000 0.309 167 G HA3 0.499 4.459 3.960 -0.001 0.000 0.309 167 G C -1.569 173.026 174.900 -0.509 0.000 1.299 167 G CA -0.942 43.870 45.100 -0.480 0.000 0.798 167 G HN 0.118 nan 8.290 nan 0.000 0.490 168 L N 0.908 121.932 121.223 -0.332 0.000 2.360 168 L HA 0.506 4.845 4.340 -0.001 0.000 0.276 168 L C -0.208 176.474 176.870 -0.313 0.000 1.121 168 L CA -0.433 54.162 54.840 -0.408 0.000 0.845 168 L CB 1.129 42.947 42.059 -0.403 0.000 1.143 168 L HN 0.452 nan 8.230 nan 0.000 0.452 169 D N 4.221 124.454 120.400 -0.278 0.000 2.558 169 D HA 0.007 4.647 4.640 -0.001 0.000 0.221 169 D C 1.002 177.274 176.300 -0.047 0.000 1.143 169 D CA -0.156 53.755 54.000 -0.149 0.000 1.010 169 D CB 0.188 40.924 40.800 -0.108 0.000 1.068 169 D HN 0.619 nan 8.370 nan 0.000 0.511 170 L N 2.583 123.764 121.223 -0.071 0.000 2.042 170 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 170 L C 1.895 178.761 176.870 -0.007 0.000 1.076 170 L CA 1.738 56.557 54.840 -0.035 0.000 0.749 170 L CB -0.222 41.777 42.059 -0.100 0.000 0.893 170 L HN 0.293 nan 8.230 nan 0.000 0.432 171 Q N -0.311 119.475 119.800 -0.023 0.000 2.119 171 Q HA -0.068 4.272 4.340 -0.001 0.000 0.201 171 Q C 2.198 178.221 176.000 0.039 0.000 0.972 171 Q CA 1.482 57.278 55.803 -0.011 0.000 0.847 171 Q CB -1.064 27.659 28.738 -0.025 0.000 0.903 171 Q HN 0.633 nan 8.270 nan 0.000 0.433 172 G N 0.618 109.457 108.800 0.065 0.000 2.421 172 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.216 172 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.216 172 G C 1.274 176.312 174.900 0.231 0.000 1.171 172 G CA 0.571 45.742 45.100 0.117 0.000 0.775 172 G HN 0.296 nan 8.290 nan 0.000 0.543 173 F N 1.714 121.697 119.950 0.055 0.000 2.069 173 F HA -0.021 4.505 4.527 -0.001 0.000 0.298 173 F C 2.548 178.347 175.800 -0.002 0.000 1.113 173 F CA 1.074 59.127 58.000 0.088 0.000 1.214 173 F CB -0.928 38.109 39.000 0.062 0.000 0.978 173 F HN 0.062 nan 8.300 nan 0.000 0.474 174 L N -0.315 120.933 121.223 0.041 0.000 2.042 174 L HA -0.269 4.070 4.340 -0.001 0.000 0.210 174 L C 2.445 179.301 176.870 -0.023 0.000 1.076 174 L CA 1.607 56.379 54.840 -0.114 0.000 0.749 174 L CB -0.967 41.008 42.059 -0.140 0.000 0.893 174 L HN 0.093 nan 8.230 nan 0.000 0.432 175 S N -0.531 115.197 115.700 0.046 0.000 2.382 175 S HA -0.175 4.295 4.470 -0.001 0.000 0.228 175 S C 1.505 176.163 174.600 0.097 0.000 1.027 175 S CA 1.267 59.501 58.200 0.056 0.000 0.991 175 S CB -0.323 62.918 63.200 0.068 0.000 0.823 175 S HN 0.429 nan 8.310 nan 0.000 0.469 176 D N 1.609 122.116 120.400 0.178 0.000 2.144 176 D HA -0.005 4.635 4.640 -0.001 0.000 0.199 176 D C 1.849 178.243 176.300 0.156 0.000 0.984 176 D CA 0.686 54.841 54.000 0.258 0.000 0.834 176 D CB -0.326 40.723 40.800 0.415 0.000 0.955 176 D HN 0.314 nan 8.370 nan 0.000 0.465 177 L N 0.833 122.074 121.223 0.030 0.000 2.056 177 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 177 L C 2.383 179.165 176.870 -0.146 0.000 1.078 177 L CA 0.930 55.631 54.840 -0.231 0.000 0.749 177 L CB -0.238 41.581 42.059 -0.399 0.000 0.901 177 L HN -0.071 nan 8.230 nan 0.000 0.433 178 E N 0.131 120.285 120.200 -0.078 0.000 2.153 178 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 178 E C 1.632 178.234 176.600 0.003 0.000 0.988 178 E CA 0.901 57.271 56.400 -0.050 0.000 0.811 178 E CB -0.256 29.424 29.700 -0.034 0.000 0.746 178 E HN 0.518 nan 8.360 nan 0.000 0.466 179 N N 0.476 119.207 118.700 0.052 0.000 2.412 179 N HA 0.030 4.770 4.740 -0.001 0.000 0.184 179 N C 0.286 175.885 175.510 0.149 0.000 1.101 179 N CA 0.137 53.248 53.050 0.102 0.000 0.881 179 N CB 0.335 38.898 38.487 0.127 0.000 0.969 179 N HN -0.021 nan 8.380 nan 0.000 0.459 180 A N 2.394 125.289 122.820 0.126 0.000 2.440 180 A HA 0.351 4.670 4.320 -0.001 0.000 0.251 180 A C -2.163 175.541 177.584 0.200 0.000 1.089 180 A CA -0.935 51.220 52.037 0.196 0.000 0.779 180 A CB -0.058 18.959 19.000 0.029 0.000 1.022 180 A HN -0.039 nan 8.150 nan 0.000 0.492 181 P HA 0.078 nan 4.420 nan 0.000 0.267 181 P C -0.247 177.205 177.300 0.254 0.000 1.200 181 P CA 0.006 63.250 63.100 0.240 0.000 0.772 181 P CB 0.362 32.216 31.700 0.257 0.000 0.855 182 E N 1.632 121.972 120.200 0.233 0.000 2.442 182 E HA -0.046 4.304 4.350 -0.001 0.000 0.262 182 E C -0.098 176.703 176.600 0.335 0.000 1.004 182 E CA 0.410 56.925 56.400 0.192 0.000 0.928 182 E CB -0.204 29.633 29.700 0.227 0.000 0.937 182 E HN 0.407 nan 8.360 nan 0.000 0.446 183 F N -0.856 119.320 119.950 0.377 0.000 2.656 183 F HA -0.277 4.250 4.527 -0.001 0.000 0.381 183 F C 0.851 176.935 175.800 0.472 0.000 0.603 183 F CA 0.603 58.849 58.000 0.409 0.000 1.335 183 F CB -1.847 37.277 39.000 0.206 0.000 1.836 183 F HN 0.213 nan 8.300 nan 0.000 0.290 184 S N 0.951 116.958 115.700 0.513 0.000 2.573 184 S HA 0.421 4.890 4.470 -0.001 0.000 0.277 184 S C 0.432 175.331 174.600 0.497 0.000 1.346 184 S CA -0.203 58.290 58.200 0.487 0.000 1.034 184 S CB 0.657 64.167 63.200 0.517 0.000 0.879 184 S HN 0.210 nan 8.310 nan 0.000 0.528 185 I N 2.671 123.430 120.570 0.315 0.000 2.331 185 I HA 0.307 4.477 4.170 -0.001 0.000 0.292 185 I C -0.812 175.374 176.117 0.114 0.000 0.998 185 I CA -0.118 61.325 61.300 0.239 0.000 1.267 185 I CB 0.605 38.600 38.000 -0.008 0.000 1.386 185 I HN 0.407 nan 8.210 nan 0.000 0.476 186 F N 5.663 125.680 119.950 0.112 0.000 2.426 186 F HA 0.377 4.904 4.527 -0.001 0.000 0.348 186 F C -0.017 175.783 175.800 -0.001 0.000 1.124 186 F CA -0.715 57.321 58.000 0.059 0.000 1.008 186 F CB 1.567 40.548 39.000 -0.032 0.000 1.139 186 F HN 0.008 nan 8.300 nan 0.000 0.452 187 V N 6.173 126.090 119.914 0.006 0.000 2.389 187 V HA 0.272 4.392 4.120 -0.001 0.000 0.264 187 V C 0.015 176.164 176.094 0.091 0.000 1.049 187 V CA -0.432 61.793 62.300 -0.125 0.000 0.932 187 V CB 0.459 31.978 31.823 -0.507 0.000 1.011 187 V HN 0.496 nan 8.190 nan 0.000 0.475 188 L N 5.096 126.340 121.223 0.035 0.000 2.329 188 L HA 0.556 4.895 4.340 -0.001 0.000 0.279 188 L C 0.109 177.174 176.870 0.326 0.000 1.014 188 L CA -0.636 54.324 54.840 0.201 0.000 0.814 188 L CB 1.419 43.359 42.059 -0.197 0.000 1.257 188 L HN 0.574 nan 8.230 nan 0.000 0.424 189 H N 2.095 121.404 119.070 0.400 0.000 2.668 189 H HA 0.153 4.709 4.556 -0.001 0.000 0.303 189 H C 0.622 176.303 175.328 0.589 0.000 1.074 189 H CA -0.174 56.124 56.048 0.418 0.000 1.406 189 H CB 1.926 31.894 29.762 0.344 0.000 1.442 189 H HN 0.886 nan 8.280 nan 0.000 0.482 190 A N 3.819 126.985 122.820 0.577 0.000 1.933 190 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 190 A C 1.148 178.998 177.584 0.444 0.000 1.175 190 A CA 1.479 53.766 52.037 0.417 0.000 0.628 190 A CB -0.311 18.767 19.000 0.130 0.000 0.814 190 A HN 0.852 nan 8.150 nan 0.000 0.444 191 C N -6.612 112.967 119.300 0.466 0.000 3.253 191 C HA 0.663 5.122 4.460 -0.001 0.000 0.342 191 C C 0.455 175.685 174.990 0.400 0.000 1.306 191 C CA -0.688 58.593 59.018 0.438 0.000 1.207 191 C CB 0.771 28.709 27.740 0.329 0.000 1.479 191 C HN 2.265 nan 8.230 nan 0.000 0.469 192 A N 1.247 124.254 122.820 0.311 0.000 2.519 192 A HA -0.104 4.216 4.320 -0.001 0.000 0.297 192 A C 0.331 178.035 177.584 0.199 0.000 1.472 192 A CA 1.305 53.442 52.037 0.166 0.000 0.739 192 A CB -2.295 16.688 19.000 -0.029 0.000 1.096 192 A HN 2.276 nan 8.150 nan 0.000 0.414 193 H N 0.684 119.863 119.070 0.183 0.000 3.140 193 H HA 0.083 4.638 4.556 -0.001 0.000 0.316 193 H C 0.273 175.608 175.328 0.011 0.000 0.986 193 H CA 1.631 57.700 56.048 0.036 0.000 1.397 193 H CB 0.409 30.140 29.762 -0.053 0.000 1.377 193 H HN 0.684 nan 8.280 nan 0.000 0.585 194 N N 6.879 125.340 118.700 -0.398 0.000 2.446 194 N HA 0.165 4.904 4.740 -0.001 0.000 0.265 194 N C -2.263 172.975 175.510 -0.453 0.000 0.975 194 N CA -2.276 50.679 53.050 -0.157 0.000 0.928 194 N CB 1.617 40.205 38.487 0.169 0.000 1.160 194 N HN 0.400 nan 8.380 nan 0.000 0.495 195 P HA 0.123 nan 4.420 nan 0.000 0.275 195 P C 0.777 177.915 177.300 -0.269 0.000 1.310 195 P CA 0.202 63.142 63.100 -0.267 0.000 0.904 195 P CB 0.343 31.909 31.700 -0.224 0.000 1.381 196 T N -3.810 110.546 114.554 -0.331 0.000 2.857 196 T HA 0.125 4.474 4.350 -0.001 0.000 0.266 196 T C 1.745 176.454 174.700 0.015 0.000 1.048 196 T CA 1.537 63.387 62.100 -0.416 0.000 1.139 196 T CB -1.298 67.291 68.868 -0.465 0.000 0.874 196 T HN 0.173 nan 8.240 nan 0.000 0.455 197 G N 0.669 109.566 108.800 0.162 0.000 2.159 197 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.256 197 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.256 197 G C 0.218 175.254 174.900 0.227 0.000 0.977 197 G CA 0.353 45.563 45.100 0.185 0.000 0.652 197 G HN 0.781 nan 8.290 nan 0.000 0.531 198 T N 1.813 116.529 114.554 0.269 0.000 2.733 198 T HA 0.543 4.893 4.350 -0.001 0.000 0.294 198 T C -0.666 174.196 174.700 0.270 0.000 0.956 198 T CA -0.252 62.004 62.100 0.259 0.000 0.987 198 T CB 1.469 70.518 68.868 0.303 0.000 0.920 198 T HN 0.216 nan 8.240 nan 0.000 0.470 199 D N 3.705 124.240 120.400 0.226 0.000 2.340 199 D HA 0.476 5.115 4.640 -0.001 0.000 0.240 199 D C -2.269 174.082 176.300 0.083 0.000 1.001 199 D CA -1.828 52.329 54.000 0.261 0.000 0.888 199 D CB 1.428 42.433 40.800 0.342 0.000 1.310 199 D HN 0.189 nan 8.370 nan 0.000 0.474 200 P HA 0.143 nan 4.420 nan 0.000 0.272 200 P C -0.047 177.207 177.300 -0.078 0.000 1.223 200 P CA -0.348 62.577 63.100 -0.292 0.000 0.784 200 P CB 0.331 31.496 31.700 -0.892 0.000 0.923 201 T N -1.032 113.499 114.554 -0.037 0.000 2.816 201 T HA 0.262 4.612 4.350 -0.001 0.000 0.282 201 T C -1.887 172.897 174.700 0.140 0.000 0.993 201 T CA -1.752 60.379 62.100 0.050 0.000 0.994 201 T CB 0.150 69.006 68.868 -0.020 0.000 1.025 201 T HN 0.117 nan 8.240 nan 0.000 0.529 202 P HA -0.142 nan 4.420 nan 0.000 0.216 202 P C 1.515 178.836 177.300 0.034 0.000 1.150 202 P CA 1.026 64.052 63.100 -0.123 0.000 0.843 202 P CB 0.060 31.280 31.700 -0.800 0.000 0.787 203 E N -0.048 120.130 120.200 -0.037 0.000 2.106 203 E HA -0.233 4.116 4.350 -0.001 0.000 0.192 203 E C 1.848 178.454 176.600 0.009 0.000 0.984 203 E CA 1.184 57.572 56.400 -0.020 0.000 0.806 203 E CB -0.191 29.482 29.700 -0.045 0.000 0.750 203 E HN 0.331 nan 8.360 nan 0.000 0.458 204 Q N -0.708 119.088 119.800 -0.007 0.000 2.119 204 Q HA -0.145 4.195 4.340 -0.001 0.000 0.201 204 Q C 1.912 177.901 176.000 -0.019 0.000 0.972 204 Q CA 1.541 57.300 55.803 -0.073 0.000 0.847 204 Q CB -0.246 28.398 28.738 -0.157 0.000 0.903 204 Q HN 0.411 nan 8.270 nan 0.000 0.433 205 W N 1.505 122.864 121.300 0.098 0.000 2.342 205 W HA -0.165 4.495 4.660 0.000 0.000 0.297 205 W C 2.089 178.670 176.519 0.102 0.000 1.213 205 W CA 0.771 58.240 57.345 0.206 0.000 1.251 205 W CB 0.141 29.860 29.460 0.431 0.000 1.136 205 W HN 0.063 nan 8.180 nan 0.000 0.526 206 K N 0.002 120.544 120.400 0.237 0.000 2.148 206 K HA -0.183 4.136 4.320 -0.001 0.000 0.204 206 K C 1.881 178.535 176.600 0.090 0.000 1.050 206 K CA 1.375 57.729 56.287 0.111 0.000 0.942 206 K CB -0.333 32.181 32.500 0.023 0.000 0.724 206 K HN 0.320 nan 8.250 nan 0.000 0.446 207 Q N 0.543 120.358 119.800 0.025 0.000 2.083 207 Q HA -0.071 4.268 4.340 -0.001 0.000 0.198 207 Q C 2.146 178.084 176.000 -0.103 0.000 0.969 207 Q CA 1.069 56.842 55.803 -0.050 0.000 0.838 207 Q CB -0.119 28.565 28.738 -0.089 0.000 0.900 207 Q HN 0.289 nan 8.270 nan 0.000 0.436 208 I N 1.003 121.502 120.570 -0.119 0.000 2.163 208 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 208 I C 2.473 178.544 176.117 -0.076 0.000 1.085 208 I CA 1.145 62.318 61.300 -0.211 0.000 1.347 208 I CB -0.429 37.437 38.000 -0.224 0.000 1.044 208 I HN 0.165 nan 8.210 nan 0.000 0.408 209 A N -0.421 122.403 122.820 0.006 0.000 1.908 209 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 209 A C 2.476 180.054 177.584 -0.009 0.000 1.181 209 A CA 2.262 54.164 52.037 -0.224 0.000 0.627 209 A CB -0.897 17.798 19.000 -0.508 0.000 0.818 209 A HN 0.392 nan 8.150 nan 0.000 0.445 210 S N -0.688 115.003 115.700 -0.015 0.000 2.359 210 S HA -0.162 4.307 4.470 -0.001 0.000 0.223 210 S C 1.941 176.491 174.600 -0.084 0.000 1.039 210 S CA 1.828 60.005 58.200 -0.038 0.000 1.042 210 S CB -0.511 62.664 63.200 -0.040 0.000 0.915 210 S HN 0.352 nan 8.310 nan 0.000 0.439 211 V N 2.233 122.074 119.914 -0.121 0.000 2.295 211 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 211 V C 2.436 178.425 176.094 -0.175 0.000 1.049 211 V CA 2.113 64.311 62.300 -0.170 0.000 1.024 211 V CB -0.702 30.992 31.823 -0.215 0.000 0.648 211 V HN 0.509 nan 8.190 nan 0.000 0.447 212 M N -0.365 119.164 119.600 -0.118 0.000 2.106 212 M HA -0.259 4.221 4.480 -0.001 0.000 0.259 212 M C 2.386 178.725 176.300 0.065 0.000 1.068 212 M CA 2.031 57.322 55.300 -0.015 0.000 1.100 212 M CB -0.561 32.093 32.600 0.090 0.000 1.351 212 M HN 0.248 nan 8.290 nan 0.000 0.404 213 K N 0.317 120.766 120.400 0.082 0.000 2.026 213 K HA -0.207 4.113 4.320 -0.001 0.000 0.208 213 K C 2.127 178.485 176.600 -0.403 0.000 1.048 213 K CA 1.537 57.680 56.287 -0.240 0.000 0.929 213 K CB -0.082 32.238 32.500 -0.299 0.000 0.713 213 K HN 0.157 nan 8.250 nan 0.000 0.439 214 R N 0.640 120.922 120.500 -0.364 0.000 2.073 214 R HA -0.090 4.250 4.340 -0.001 0.000 0.234 214 R C 1.657 177.483 176.300 -0.790 0.000 1.134 214 R CA 1.619 57.436 56.100 -0.471 0.000 0.952 214 R CB 0.035 30.165 30.300 -0.282 0.000 0.850 214 R HN 0.108 nan 8.270 nan 0.000 0.433 215 R N -0.320 119.823 120.500 -0.596 0.000 2.334 215 R HA 0.076 4.416 4.340 -0.001 0.000 0.220 215 R C -0.429 175.572 176.300 -0.498 0.000 0.917 215 R CA 0.143 55.922 56.100 -0.534 0.000 1.073 215 R CB 0.201 30.360 30.300 -0.236 0.000 1.056 215 R HN 0.181 nan 8.270 nan 0.000 0.506 216 F N 0.303 120.134 119.950 -0.198 0.000 3.027 216 F HA -0.239 4.287 4.527 -0.001 0.000 0.276 216 F C -0.237 175.494 175.800 -0.114 0.000 0.967 216 F CA 0.074 57.914 58.000 -0.266 0.000 0.929 216 F CB -2.264 36.287 39.000 -0.748 0.000 0.873 216 F HN 0.010 nan 8.300 nan 0.000 0.787 217 L N 0.357 121.657 121.223 0.128 0.000 2.326 217 L HA 0.405 4.744 4.340 -0.001 0.000 0.278 217 L C 0.350 177.441 176.870 0.368 0.000 1.092 217 L CA -0.590 54.392 54.840 0.237 0.000 0.810 217 L CB 0.809 42.878 42.059 0.016 0.000 1.153 217 L HN 0.169 nan 8.230 nan 0.000 0.439 218 F N 5.624 125.741 119.950 0.278 0.000 2.424 218 F HA 0.387 4.913 4.527 -0.001 0.000 0.356 218 F C -2.049 173.816 175.800 0.107 0.000 1.110 218 F CA -2.317 55.790 58.000 0.178 0.000 1.161 218 F CB 0.943 39.938 39.000 -0.008 0.000 1.115 218 F HN 0.210 nan 8.300 nan 0.000 0.507 219 P HA 0.102 nan 4.420 nan 0.000 0.287 219 P C -1.051 175.974 177.300 -0.459 0.000 1.307 219 P CA -0.052 62.753 63.100 -0.492 0.000 0.777 219 P CB 0.376 31.676 31.700 -0.667 0.000 0.883 220 F N 5.373 125.166 119.950 -0.263 0.000 2.311 220 F HA 0.445 4.972 4.527 -0.000 0.000 0.371 220 F C -0.929 174.833 175.800 -0.062 0.000 1.083 220 F CA -2.120 55.897 58.000 0.029 0.000 1.113 220 F CB -0.246 38.913 39.000 0.266 0.000 1.349 220 F HN 0.104 nan 8.300 nan 0.000 0.470 221 F N 3.254 123.411 119.950 0.345 0.000 2.399 221 F HA 0.227 4.754 4.527 -0.000 0.000 0.342 221 F C 0.601 176.531 175.800 0.216 0.000 1.106 221 F CA -0.075 58.020 58.000 0.159 0.000 1.196 221 F CB 0.626 39.617 39.000 -0.014 0.000 1.163 221 F HN 0.290 nan 8.300 nan 0.000 0.547 222 D N 1.718 122.293 120.400 0.291 0.000 2.453 222 D HA 0.124 4.764 4.640 -0.001 0.000 0.238 222 D C -0.992 175.374 176.300 0.110 0.000 1.088 222 D CA -0.141 53.933 54.000 0.124 0.000 0.854 222 D CB 1.347 42.142 40.800 -0.008 0.000 1.076 222 D HN 0.323 nan 8.370 nan 0.000 0.533 223 S N 2.801 118.532 115.700 0.051 0.000 2.475 223 S HA 0.568 5.038 4.470 -0.001 0.000 0.249 223 S C 0.472 174.980 174.600 -0.154 0.000 1.298 223 S CA -0.338 57.860 58.200 -0.004 0.000 1.125 223 S CB 0.247 63.433 63.200 -0.024 0.000 1.054 223 S HN 0.483 nan 8.310 nan 0.000 0.484 224 A N 3.548 126.225 122.820 -0.238 0.000 2.303 224 A HA 0.385 4.704 4.320 -0.001 0.000 0.217 224 A C 0.152 177.250 177.584 -0.809 0.000 1.205 224 A CA 0.158 51.840 52.037 -0.592 0.000 0.875 224 A CB 0.004 18.509 19.000 -0.826 0.000 0.910 224 A HN 0.774 nan 8.150 nan 0.000 0.501 225 Y N -0.215 120.049 120.300 -0.060 0.000 2.721 225 Y HA 0.286 4.836 4.550 -0.001 0.000 0.251 225 Y C 0.567 176.531 175.900 0.106 0.000 1.136 225 Y CA -0.855 57.252 58.100 0.011 0.000 1.142 225 Y CB -0.033 38.482 38.460 0.092 0.000 1.212 225 Y HN 0.349 nan 8.280 nan 0.000 0.565 226 Q N 0.919 120.800 119.800 0.135 0.000 2.247 226 Q HA 0.277 4.617 4.340 -0.001 0.000 0.288 226 Q C 1.293 177.386 176.000 0.155 0.000 1.079 226 Q CA 1.644 57.529 55.803 0.136 0.000 0.932 226 Q CB 0.316 29.101 28.738 0.079 0.000 1.133 226 Q HN 0.810 nan 8.270 nan 0.000 0.377 227 G N 4.122 112.990 108.800 0.113 0.000 2.454 227 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.225 227 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.225 227 G C 0.350 175.253 174.900 0.005 0.000 1.138 227 G CA 0.353 45.450 45.100 -0.005 0.000 0.667 227 G HN 0.715 nan 8.290 nan 0.000 0.512 228 F N 2.754 122.691 119.950 -0.021 0.000 2.171 228 F HA 0.283 4.809 4.527 -0.001 0.000 0.300 228 F C 2.738 178.553 175.800 0.024 0.000 1.090 228 F CA 2.323 60.328 58.000 0.008 0.000 1.293 228 F CB -0.497 38.577 39.000 0.123 0.000 1.013 228 F HN 0.482 nan 8.300 nan 0.000 0.486 229 A N -0.122 122.883 122.820 0.309 0.000 1.834 229 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 229 A C 2.318 179.925 177.584 0.040 0.000 1.203 229 A CA 2.724 54.876 52.037 0.192 0.000 0.621 229 A CB -1.452 17.679 19.000 0.217 0.000 0.841 229 A HN 0.482 nan 8.150 nan 0.000 0.446 230 S N -3.112 112.604 115.700 0.027 0.000 2.511 230 S HA 0.431 4.900 4.470 -0.001 0.000 0.214 230 S C 1.359 175.918 174.600 -0.068 0.000 0.997 230 S CA 1.085 59.278 58.200 -0.011 0.000 0.908 230 S CB 0.472 63.686 63.200 0.023 0.000 0.803 230 S HN 2.094 nan 8.310 nan 0.000 0.504 231 G N 1.332 110.068 108.800 -0.107 0.000 2.194 231 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.236 231 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.236 231 G C -0.164 174.645 174.900 -0.152 0.000 0.987 231 G CA 0.046 45.046 45.100 -0.166 0.000 0.635 231 G HN 0.639 nan 8.290 nan 0.000 0.520 232 N N 0.350 118.998 118.700 -0.087 0.000 2.442 232 N HA 0.475 5.214 4.740 -0.001 0.000 0.274 232 N C 1.501 176.998 175.510 -0.021 0.000 1.002 232 N CA -0.538 52.474 53.050 -0.062 0.000 0.910 232 N CB 1.478 39.951 38.487 -0.023 0.000 1.244 232 N HN 0.065 nan 8.380 nan 0.000 0.492 233 L N 2.198 123.401 121.223 -0.033 0.000 2.083 233 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 233 L C 1.931 178.855 176.870 0.090 0.000 1.083 233 L CA 1.069 55.930 54.840 0.036 0.000 0.752 233 L CB -0.043 42.053 42.059 0.060 0.000 0.899 233 L HN 0.537 nan 8.230 nan 0.000 0.433 234 E N 0.166 120.422 120.200 0.094 0.000 2.047 234 E HA -0.228 4.122 4.350 -0.001 0.000 0.191 234 E C 2.017 178.695 176.600 0.130 0.000 0.987 234 E CA 1.037 57.504 56.400 0.112 0.000 0.799 234 E CB -0.224 29.540 29.700 0.107 0.000 0.752 234 E HN 0.394 nan 8.360 nan 0.000 0.449 235 K N 0.893 121.356 120.400 0.105 0.000 2.032 235 K HA -0.170 4.150 4.320 -0.001 0.000 0.209 235 K C 1.412 178.110 176.600 0.163 0.000 1.048 235 K CA 1.716 58.075 56.287 0.120 0.000 0.927 235 K CB 0.032 32.572 32.500 0.066 0.000 0.712 235 K HN -0.090 nan 8.250 nan 0.000 0.441 236 D N -0.054 120.423 120.400 0.128 0.000 2.263 236 D HA -0.109 4.530 4.640 -0.001 0.000 0.208 236 D C 1.206 177.574 176.300 0.114 0.000 0.971 236 D CA 1.112 55.196 54.000 0.140 0.000 0.867 236 D CB 0.078 40.956 40.800 0.130 0.000 0.929 236 D HN 0.374 nan 8.370 nan 0.000 0.492 237 A N -0.767 122.106 122.820 0.089 0.000 2.308 237 A HA 0.091 4.410 4.320 -0.001 0.000 0.217 237 A C 1.705 179.259 177.584 -0.050 0.000 1.216 237 A CA -0.369 51.662 52.037 -0.010 0.000 0.864 237 A CB -0.738 18.259 19.000 -0.005 0.000 0.902 237 A HN 0.266 nan 8.150 nan 0.000 0.499 238 W N 1.173 122.426 121.300 -0.078 0.000 2.317 238 W HA -0.324 4.335 4.660 -0.001 0.000 0.318 238 W C 2.213 178.647 176.519 -0.141 0.000 1.227 238 W CA 2.918 60.222 57.345 -0.068 0.000 1.269 238 W CB -0.229 29.219 29.460 -0.021 0.000 1.155 238 W HN 0.357 nan 8.180 nan 0.000 0.484 239 A N 0.307 122.943 122.820 -0.307 0.000 1.883 239 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 239 A C 1.988 179.119 177.584 -0.755 0.000 1.186 239 A CA 2.360 53.932 52.037 -0.775 0.000 0.624 239 A CB -1.162 17.018 19.000 -1.366 0.000 0.822 239 A HN 0.433 nan 8.150 nan 0.000 0.444 240 I N -0.816 119.216 120.570 -0.897 0.000 2.127 240 I HA -0.318 3.852 4.170 -0.001 0.000 0.241 240 I C 2.761 178.583 176.117 -0.492 0.000 1.075 240 I CA 1.811 62.513 61.300 -0.998 0.000 1.334 240 I CB -0.396 37.115 38.000 -0.816 0.000 1.040 240 I HN 0.271 nan 8.210 nan 0.000 0.405 241 R N -0.452 119.798 120.500 -0.417 0.000 2.096 241 R HA -0.227 4.112 4.340 -0.001 0.000 0.235 241 R C 2.393 178.505 176.300 -0.313 0.000 1.127 241 R CA 1.771 57.692 56.100 -0.299 0.000 0.968 241 R CB -0.644 29.511 30.300 -0.241 0.000 0.861 241 R HN 0.369 nan 8.270 nan 0.000 0.440 242 Y N 0.600 120.499 120.300 -0.669 0.000 2.145 242 Y HA -0.230 4.320 4.550 -0.001 0.000 0.286 242 Y C 1.791 177.554 175.900 -0.229 0.000 1.145 242 Y CA 1.424 59.160 58.100 -0.607 0.000 1.148 242 Y CB -0.350 37.395 38.460 -1.192 0.000 0.981 242 Y HN -0.122 nan 8.280 nan 0.000 0.507 243 F N -0.747 118.972 119.950 -0.386 0.000 2.161 243 F HA -0.223 4.303 4.527 -0.001 0.000 0.300 243 F C 2.430 178.191 175.800 -0.064 0.000 1.089 243 F CA 1.527 59.382 58.000 -0.242 0.000 1.282 243 F CB -1.055 37.776 39.000 -0.282 0.000 1.010 243 F HN -0.085 nan 8.300 nan 0.000 0.485 244 V N -1.195 118.736 119.914 0.028 0.000 2.295 244 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 244 V C 2.328 178.394 176.094 -0.046 0.000 1.049 244 V CA 2.114 64.421 62.300 0.013 0.000 1.024 244 V CB -0.920 30.882 31.823 -0.035 0.000 0.648 244 V HN 0.268 nan 8.190 nan 0.000 0.447 245 S N -0.551 115.065 115.700 -0.139 0.000 2.399 245 S HA -0.158 4.311 4.470 -0.001 0.000 0.231 245 S C 1.733 176.212 174.600 -0.202 0.000 1.022 245 S CA 0.994 59.097 58.200 -0.162 0.000 0.983 245 S CB -0.268 62.825 63.200 -0.178 0.000 0.803 245 S HN 0.566 nan 8.310 nan 0.000 0.480 246 E N 0.274 120.304 120.200 -0.284 0.000 2.494 246 E HA 0.133 4.482 4.350 -0.001 0.000 0.193 246 E C 1.267 177.746 176.600 -0.202 0.000 1.074 246 E CA 0.351 56.587 56.400 -0.274 0.000 0.867 246 E CB -0.289 29.205 29.700 -0.343 0.000 0.924 246 E HN 0.553 nan 8.360 nan 0.000 0.502 247 G N 1.197 109.934 108.800 -0.106 0.000 2.147 247 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.244 247 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.244 247 G C 0.026 174.869 174.900 -0.097 0.000 1.005 247 G CA -0.079 44.961 45.100 -0.100 0.000 0.713 247 G HN 0.197 nan 8.290 nan 0.000 0.515 248 F N 0.930 120.861 119.950 -0.033 0.000 2.410 248 F HA 0.470 4.997 4.527 -0.001 0.000 0.334 248 F C 1.176 176.998 175.800 0.036 0.000 1.134 248 F CA -0.048 57.969 58.000 0.028 0.000 1.227 248 F CB 0.695 39.760 39.000 0.108 0.000 1.194 248 F HN 0.093 nan 8.300 nan 0.000 0.571 249 E N 2.972 123.322 120.200 0.249 0.000 2.216 249 E HA 0.592 4.941 4.350 -0.001 0.000 0.279 249 E C -1.201 175.421 176.600 0.038 0.000 0.997 249 E CA -0.691 55.822 56.400 0.188 0.000 0.817 249 E CB 1.740 31.595 29.700 0.259 0.000 1.096 249 E HN 0.419 nan 8.360 nan 0.000 0.393 250 L N -1.083 120.140 121.223 -0.000 0.000 2.765 250 L HA 0.614 4.953 4.340 -0.001 0.000 0.263 250 L C -1.427 175.520 176.870 0.127 0.000 1.068 250 L CA -1.003 53.661 54.840 -0.293 0.000 0.903 250 L CB 0.873 42.873 42.059 -0.097 0.000 1.512 250 L HN 0.208 nan 8.230 nan 0.000 0.404 251 F N 0.449 120.266 119.950 -0.221 0.000 2.508 251 F HA 0.751 5.277 4.527 -0.001 0.000 0.325 251 F C -0.130 175.680 175.800 0.017 0.000 1.090 251 F CA -1.737 56.147 58.000 -0.192 0.000 0.945 251 F CB 1.939 40.525 39.000 -0.691 0.000 1.156 251 F HN 0.822 nan 8.300 nan 0.000 0.463 252 C N 3.382 122.825 119.300 0.237 0.000 2.383 252 C HA 0.838 5.297 4.460 -0.001 0.000 0.330 252 C C -0.339 174.795 174.990 0.241 0.000 1.168 252 C CA -0.477 58.702 59.018 0.269 0.000 1.374 252 C CB -0.553 27.252 27.740 0.108 0.000 2.014 252 C HN 0.925 nan 8.230 nan 0.000 0.439 253 A N 6.206 129.246 122.820 0.367 0.000 2.302 253 A HA 0.588 4.908 4.320 -0.001 0.000 0.295 253 A C -0.177 177.466 177.584 0.098 0.000 1.235 253 A CA -0.055 52.143 52.037 0.269 0.000 0.876 253 A CB 0.264 19.466 19.000 0.336 0.000 1.133 253 A HN 0.917 nan 8.150 nan 0.000 0.533 254 Q N 1.351 121.173 119.800 0.035 0.000 2.282 254 Q HA 0.551 4.891 4.340 -0.001 0.000 0.260 254 Q C -0.387 175.503 176.000 -0.182 0.000 0.964 254 Q CA -0.437 55.291 55.803 -0.125 0.000 0.880 254 Q CB 1.999 30.648 28.738 -0.150 0.000 1.286 254 Q HN 0.646 nan 8.270 nan 0.000 0.445 255 S N 1.379 116.865 115.700 -0.357 0.000 2.503 255 S HA 0.524 4.994 4.470 -0.001 0.000 0.301 255 S C -0.704 173.563 174.600 -0.554 0.000 1.087 255 S CA -0.553 57.453 58.200 -0.323 0.000 1.042 255 S CB 0.461 63.469 63.200 -0.319 0.000 1.043 255 S HN 0.580 nan 8.310 nan 0.000 0.489 256 F N 1.947 121.869 119.950 -0.047 0.000 2.639 256 F HA 0.357 4.883 4.527 -0.001 0.000 0.302 256 F C 1.472 177.218 175.800 -0.090 0.000 1.097 256 F CA -0.363 57.645 58.000 0.014 0.000 1.294 256 F CB 0.252 39.241 39.000 -0.019 0.000 1.027 256 F HN 0.387 nan 8.300 nan 0.000 0.550 260 F N 1.264 121.342 119.950 0.213 0.000 2.706 260 F HA 0.538 5.064 4.527 -0.001 0.000 0.308 260 F C 1.597 177.408 175.800 0.018 0.000 1.095 260 F CA 0.542 58.638 58.000 0.160 0.000 1.244 260 F CB 0.911 39.926 39.000 0.024 0.000 1.063 260 F HN 0.258 nan 8.300 nan 0.000 0.582 261 G N 1.455 110.289 108.800 0.057 0.000 2.249 261 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.273 261 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.273 261 G C 0.441 175.313 174.900 -0.047 0.000 1.036 261 G CA 0.244 45.317 45.100 -0.045 0.000 0.824 261 G HN 0.378 nan 8.290 nan 0.000 0.504 262 L N -0.023 121.128 121.223 -0.120 0.000 2.978 262 L HA 0.306 4.646 4.340 -0.001 0.000 0.239 262 L C 2.043 178.892 176.870 -0.035 0.000 1.293 262 L CA -0.842 53.981 54.840 -0.028 0.000 1.085 262 L CB -0.366 41.672 42.059 -0.035 0.000 1.432 262 L HN 0.313 nan 8.230 nan 0.000 0.512 263 Y N 0.603 120.940 120.300 0.062 0.000 2.030 263 Y HA -0.414 4.136 4.550 -0.000 0.000 0.272 263 Y C 2.354 178.269 175.900 0.025 0.000 1.185 263 Y CA 2.396 60.523 58.100 0.045 0.000 1.120 263 Y CB -0.658 37.841 38.460 0.066 0.000 0.955 263 Y HN 0.575 nan 8.280 nan 0.000 0.495 264 N N -0.609 118.217 118.700 0.210 0.000 2.521 264 N HA -0.091 4.649 4.740 -0.001 0.000 0.188 264 N C 0.787 176.315 175.510 0.030 0.000 1.146 264 N CA 0.489 53.601 53.050 0.104 0.000 0.893 264 N CB 0.037 38.582 38.487 0.096 0.000 0.975 264 N HN 0.302 nan 8.380 nan 0.000 0.451 265 E N 0.764 120.964 120.200 -0.001 0.000 2.481 265 E HA 0.058 4.408 4.350 -0.001 0.000 0.198 265 E C -0.176 176.357 176.600 -0.111 0.000 1.027 265 E CA -0.115 56.245 56.400 -0.067 0.000 0.900 265 E CB 0.284 29.929 29.700 -0.092 0.000 0.993 265 E HN 0.237 nan 8.360 nan 0.000 0.482 266 R N -0.002 120.450 120.500 -0.080 0.000 3.059 266 R HA -0.124 4.216 4.340 -0.001 0.000 0.251 266 R C -0.630 175.572 176.300 -0.163 0.000 0.886 266 R CA 0.236 56.271 56.100 -0.108 0.000 0.634 266 R CB -3.146 27.071 30.300 -0.138 0.000 1.282 266 R HN -0.087 nan 8.270 nan 0.000 0.487 267 V N 0.136 119.980 119.914 -0.117 0.000 2.347 267 V HA 0.851 4.971 4.120 -0.001 0.000 0.280 267 V C 1.175 177.355 176.094 0.143 0.000 1.021 267 V CA -0.022 62.197 62.300 -0.134 0.000 0.847 267 V CB 2.064 33.747 31.823 -0.233 0.000 0.990 267 V HN 0.625 nan 8.190 nan 0.000 0.444 268 G N 3.185 112.089 108.800 0.175 0.000 2.695 268 G HA2 0.594 4.554 3.960 -0.001 0.000 0.290 268 G HA3 0.594 4.554 3.960 -0.001 0.000 0.290 268 G C -1.694 173.482 174.900 0.459 0.000 1.410 268 G CA -0.680 44.607 45.100 0.312 0.000 0.844 268 G HN 0.605 nan 8.290 nan 0.000 0.478 269 N N -0.436 118.496 118.700 0.387 0.000 2.324 269 N HA 0.321 5.061 4.740 -0.001 0.000 0.285 269 N C -1.933 173.677 175.510 0.166 0.000 1.076 269 N CA -0.600 52.638 53.050 0.314 0.000 0.864 269 N CB 2.665 41.307 38.487 0.259 0.000 1.632 269 N HN 0.390 nan 8.380 nan 0.000 0.478 270 L N 3.050 124.340 121.223 0.112 0.000 2.262 270 L HA 0.453 4.792 4.340 -0.001 0.000 0.288 270 L C -0.453 176.383 176.870 -0.056 0.000 1.035 270 L CA 0.132 54.985 54.840 0.021 0.000 0.820 270 L CB 0.859 42.889 42.059 -0.049 0.000 1.204 270 L HN 0.431 nan 8.230 nan 0.000 0.424 271 T N 4.461 118.994 114.554 -0.034 0.000 2.806 271 T HA 0.558 4.907 4.350 -0.001 0.000 0.290 271 T C -0.447 174.213 174.700 -0.066 0.000 0.966 271 T CA -0.290 61.783 62.100 -0.046 0.000 1.060 271 T CB 1.210 70.069 68.868 -0.015 0.000 0.927 271 T HN 0.340 nan 8.240 nan 0.000 0.485 272 V N 4.145 124.018 119.914 -0.069 0.000 2.495 272 V HA 0.495 4.614 4.120 -0.001 0.000 0.298 272 V C -0.311 175.829 176.094 0.077 0.000 1.031 272 V CA -0.753 61.555 62.300 0.014 0.000 0.871 272 V CB 1.942 33.694 31.823 -0.117 0.000 0.988 272 V HN 0.659 nan 8.190 nan 0.000 0.432 273 V N 4.152 124.157 119.914 0.152 0.000 2.409 273 V HA 0.852 4.972 4.120 -0.001 0.000 0.291 273 V C 0.311 176.490 176.094 0.143 0.000 1.020 273 V CA -0.271 62.094 62.300 0.109 0.000 0.848 273 V CB 1.496 33.370 31.823 0.085 0.000 0.990 273 V HN 1.030 nan 8.190 nan 0.000 0.430 274 A N 4.057 126.943 122.820 0.111 0.000 2.346 274 A HA 0.665 4.985 4.320 -0.001 0.000 0.313 274 A C 0.885 178.522 177.584 0.089 0.000 1.140 274 A CA -0.611 51.499 52.037 0.122 0.000 0.826 274 A CB 1.368 20.434 19.000 0.109 0.000 1.332 274 A HN 0.750 nan 8.150 nan 0.000 0.457 275 K N -0.313 120.142 120.400 0.091 0.000 2.097 275 K HA -0.076 4.244 4.320 -0.001 0.000 0.205 275 K C 0.438 177.064 176.600 0.044 0.000 1.050 275 K CA 1.643 57.968 56.287 0.064 0.000 0.938 275 K CB 0.122 32.663 32.500 0.069 0.000 0.718 275 K HN 0.805 nan 8.250 nan 0.000 0.442 276 E N -0.957 119.271 120.200 0.046 0.000 2.393 276 E HA 0.154 4.504 4.350 -0.001 0.000 0.273 276 E C -2.648 173.969 176.600 0.028 0.000 0.918 276 E CA -1.969 54.450 56.400 0.031 0.000 0.773 276 E CB 1.834 31.550 29.700 0.027 0.000 1.275 276 E HN -0.235 nan 8.360 nan 0.000 0.451 277 P HA -0.106 nan 4.420 nan 0.000 0.216 277 P C 0.481 177.787 177.300 0.010 0.000 1.150 277 P CA 1.257 64.365 63.100 0.012 0.000 0.837 277 P CB 0.226 31.929 31.700 0.006 0.000 0.786 278 D N -0.878 119.528 120.400 0.010 0.000 2.123 278 D HA -0.117 4.523 4.640 -0.001 0.000 0.196 278 D C 2.079 178.384 176.300 0.008 0.000 0.992 278 D CA 1.222 55.225 54.000 0.006 0.000 0.833 278 D CB -0.948 39.855 40.800 0.005 0.000 0.954 278 D HN 0.069 nan 8.370 nan 0.000 0.455 279 S N 0.195 115.908 115.700 0.021 0.000 2.370 279 S HA -0.115 4.355 4.470 -0.001 0.000 0.226 279 S C 1.994 176.607 174.600 0.021 0.000 1.033 279 S CA 0.428 58.648 58.200 0.033 0.000 1.011 279 S CB -0.103 63.136 63.200 0.064 0.000 0.852 279 S HN 0.208 nan 8.310 nan 0.000 0.457 280 I N 1.267 121.846 120.570 0.016 0.000 2.151 280 I HA -0.171 3.999 4.170 -0.001 0.000 0.243 280 I C 2.077 178.181 176.117 -0.022 0.000 1.080 280 I CA 1.282 62.579 61.300 -0.005 0.000 1.339 280 I CB -1.387 36.611 38.000 -0.003 0.000 1.039 280 I HN 0.266 nan 8.210 nan 0.000 0.409 281 L N 0.420 121.634 121.223 -0.016 0.000 2.017 281 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 281 L C 2.723 179.575 176.870 -0.031 0.000 1.073 281 L CA 1.717 56.544 54.840 -0.022 0.000 0.745 281 L CB -0.969 41.080 42.059 -0.017 0.000 0.894 281 L HN 0.202 nan 8.230 nan 0.000 0.432 282 R N -1.171 119.310 120.500 -0.032 0.000 2.075 282 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 282 R C 2.218 178.487 176.300 -0.052 0.000 1.126 282 R CA 1.253 57.321 56.100 -0.053 0.000 0.963 282 R CB -0.690 29.575 30.300 -0.058 0.000 0.858 282 R HN 0.212 nan 8.270 nan 0.000 0.435 283 V N 1.907 121.805 119.914 -0.028 0.000 2.295 283 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 283 V C 2.414 178.451 176.094 -0.096 0.000 1.049 283 V CA 1.688 63.953 62.300 -0.057 0.000 1.024 283 V CB -0.449 31.283 31.823 -0.150 0.000 0.648 283 V HN 0.285 nan 8.190 nan 0.000 0.447 284 L N 0.786 121.956 121.223 -0.087 0.000 2.083 284 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 284 L C 2.769 179.623 176.870 -0.027 0.000 1.083 284 L CA 1.895 56.694 54.840 -0.067 0.000 0.752 284 L CB -0.839 41.188 42.059 -0.053 0.000 0.899 284 L HN 0.597 nan 8.230 nan 0.000 0.433 285 S N -0.793 114.892 115.700 -0.025 0.000 2.383 285 S HA -0.222 4.247 4.470 -0.001 0.000 0.229 285 S C 1.927 176.533 174.600 0.010 0.000 1.030 285 S CA 0.904 59.094 58.200 -0.016 0.000 1.002 285 S CB -0.228 62.951 63.200 -0.034 0.000 0.829 285 S HN 0.414 nan 8.310 nan 0.000 0.467 286 Q N 0.409 120.230 119.800 0.034 0.000 2.137 286 Q HA 0.153 4.492 4.340 -0.001 0.000 0.198 286 Q C 2.358 178.487 176.000 0.214 0.000 0.960 286 Q CA 0.933 56.817 55.803 0.136 0.000 0.847 286 Q CB -0.472 28.336 28.738 0.117 0.000 0.915 286 Q HN 0.539 nan 8.270 nan 0.000 0.448 287 M N 0.646 120.338 119.600 0.152 0.000 2.117 287 M HA -0.163 4.317 4.480 -0.001 0.000 0.262 287 M C 2.025 178.343 176.300 0.030 0.000 1.065 287 M CA 1.489 56.843 55.300 0.090 0.000 1.114 287 M CB -0.944 31.642 32.600 -0.022 0.000 1.361 287 M HN 0.264 nan 8.290 nan 0.000 0.408 288 Q N 0.229 120.039 119.800 0.016 0.000 2.096 288 Q HA -0.191 4.149 4.340 -0.001 0.000 0.204 288 Q C 2.069 178.056 176.000 -0.022 0.000 0.982 288 Q CA 1.515 57.311 55.803 -0.011 0.000 0.850 288 Q CB -0.140 28.595 28.738 -0.006 0.000 0.901 288 Q HN 0.520 nan 8.270 nan 0.000 0.422 289 K N 0.272 120.682 120.400 0.017 0.000 2.097 289 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 289 K C 1.964 178.555 176.600 -0.016 0.000 1.049 289 K CA 1.107 57.404 56.287 0.016 0.000 0.933 289 K CB -0.056 32.486 32.500 0.070 0.000 0.717 289 K HN 0.191 nan 8.250 nan 0.000 0.442 290 I N 0.282 120.851 120.570 -0.001 0.000 2.202 290 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 290 I C 2.154 178.143 176.117 -0.214 0.000 1.091 290 I CA 0.947 62.214 61.300 -0.055 0.000 1.368 290 I CB -0.222 37.791 38.000 0.023 0.000 1.058 290 I HN -0.066 nan 8.210 nan 0.000 0.410 291 V N 0.804 120.553 119.914 -0.275 0.000 2.295 291 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 291 V C 2.637 178.473 176.094 -0.430 0.000 1.049 291 V CA 1.965 63.938 62.300 -0.545 0.000 1.024 291 V CB -0.737 30.866 31.823 -0.368 0.000 0.648 291 V HN 0.390 nan 8.190 nan 0.000 0.447 292 R N -0.379 119.989 120.500 -0.219 0.000 2.133 292 R HA -0.168 4.171 4.340 -0.001 0.000 0.247 292 R C 1.919 178.140 176.300 -0.133 0.000 1.151 292 R CA 1.824 57.838 56.100 -0.143 0.000 0.971 292 R CB -0.354 29.893 30.300 -0.088 0.000 0.866 292 R HN 0.382 nan 8.270 nan 0.000 0.447 293 V N -0.310 119.519 119.914 -0.142 0.000 3.649 293 V HA 0.006 4.125 4.120 -0.001 0.000 0.275 293 V C 0.842 176.869 176.094 -0.112 0.000 1.281 293 V CA 1.297 63.537 62.300 -0.100 0.000 1.143 293 V CB 0.761 32.539 31.823 -0.076 0.000 0.892 293 V HN 0.513 nan 8.190 nan 0.000 0.441 294 T N -0.985 113.446 114.554 -0.205 0.000 3.205 294 T HA 0.025 4.374 4.350 -0.001 0.000 0.238 294 T C 0.988 175.690 174.700 0.003 0.000 0.974 294 T CA 0.837 62.828 62.100 -0.183 0.000 1.246 294 T CB 0.005 68.618 68.868 -0.425 0.000 1.007 294 T HN 0.725 nan 8.240 nan 0.000 0.414 295 W N 0.260 121.567 121.300 0.013 0.000 2.534 295 W HA 0.747 5.406 4.660 -0.001 0.000 0.339 295 W C 0.986 177.504 176.519 -0.001 0.000 0.961 295 W CA -0.170 57.181 57.345 0.011 0.000 1.545 295 W CB -0.107 29.363 29.460 0.016 0.000 1.104 295 W HN 0.300 nan 8.180 nan 0.000 0.538 296 S N 1.023 116.745 115.700 0.038 0.000 1.480 296 S HA -0.322 4.147 4.470 -0.001 0.000 0.244 296 S C 0.120 174.753 174.600 0.055 0.000 0.702 296 S CA 2.183 60.384 58.200 0.002 0.000 1.288 296 S CB -1.796 61.401 63.200 -0.005 0.000 1.411 296 S HN 0.871 nan 8.310 nan 0.000 0.505 297 N N 1.079 119.926 118.700 0.245 0.000 2.710 297 N HA 0.695 5.434 4.740 -0.001 0.000 0.257 297 N C -3.318 172.399 175.510 0.345 0.000 1.327 297 N CA -1.148 52.064 53.050 0.271 0.000 0.861 297 N CB 1.615 40.173 38.487 0.118 0.000 1.532 297 N HN 0.322 nan 8.380 nan 0.000 0.499 298 P HA 0.466 nan 4.420 nan 0.000 0.281 298 P C -2.714 174.550 177.300 -0.060 0.000 1.264 298 P CA -1.326 61.747 63.100 -0.045 0.000 0.824 298 P CB 0.563 32.225 31.700 -0.063 0.000 1.092 299 P HA 0.151 nan 4.420 nan 0.000 0.274 299 P C 0.098 177.314 177.300 -0.141 0.000 1.231 299 P CA -0.160 62.871 63.100 -0.116 0.000 0.790 299 P CB 0.660 32.273 31.700 -0.144 0.000 0.951 300 A N 1.335 124.099 122.820 -0.093 0.000 1.956 300 A HA -0.088 4.231 4.320 -0.001 0.000 0.212 300 A C 2.248 179.743 177.584 -0.148 0.000 1.188 300 A CA 1.004 52.974 52.037 -0.112 0.000 0.675 300 A CB -0.967 18.009 19.000 -0.039 0.000 0.845 300 A HN 0.529 nan 8.150 nan 0.000 0.455 301 Q N 0.481 120.213 119.800 -0.113 0.000 1.998 301 Q HA -0.149 4.190 4.340 -0.001 0.000 0.209 301 Q C 1.950 177.837 176.000 -0.188 0.000 1.002 301 Q CA 2.805 58.538 55.803 -0.117 0.000 0.858 301 Q CB -1.136 27.556 28.738 -0.076 0.000 0.932 301 Q HN 0.481 nan 8.270 nan 0.000 0.416 302 G N -0.344 108.317 108.800 -0.232 0.000 2.446 302 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 302 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 302 G C 1.495 176.119 174.900 -0.461 0.000 1.168 302 G CA 1.377 46.291 45.100 -0.310 0.000 0.771 302 G HN 0.585 nan 8.290 nan 0.000 0.551 303 A N 0.691 123.173 122.820 -0.563 0.000 1.902 303 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 303 A C 2.455 179.794 177.584 -0.408 0.000 1.181 303 A CA 1.705 53.270 52.037 -0.786 0.000 0.623 303 A CB -0.395 18.095 19.000 -0.851 0.000 0.818 303 A HN 0.375 nan 8.150 nan 0.000 0.443 304 R N -0.650 119.680 120.500 -0.283 0.000 2.081 304 R HA -0.045 4.294 4.340 -0.001 0.000 0.235 304 R C 1.995 178.181 176.300 -0.190 0.000 1.131 304 R CA 1.559 57.550 56.100 -0.181 0.000 0.960 304 R CB -0.496 29.721 30.300 -0.138 0.000 0.856 304 R HN 0.588 nan 8.270 nan 0.000 0.436 305 I N 0.119 120.546 120.570 -0.238 0.000 2.179 305 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 305 I C 2.276 178.187 176.117 -0.344 0.000 1.088 305 I CA 1.157 62.318 61.300 -0.232 0.000 1.357 305 I CB -0.292 37.580 38.000 -0.214 0.000 1.051 305 I HN -0.043 nan 8.210 nan 0.000 0.409 306 V N 1.055 120.624 119.914 -0.574 0.000 2.295 306 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 306 V C 2.748 178.616 176.094 -0.377 0.000 1.049 306 V CA 2.058 63.859 62.300 -0.832 0.000 1.024 306 V CB -1.110 30.041 31.823 -1.120 0.000 0.648 306 V HN 0.502 nan 8.190 nan 0.000 0.447 307 A N -0.210 122.500 122.820 -0.184 0.000 1.908 307 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 307 A C 2.393 179.934 177.584 -0.072 0.000 1.181 307 A CA 1.983 53.969 52.037 -0.084 0.000 0.627 307 A CB -0.541 18.449 19.000 -0.017 0.000 0.818 307 A HN 0.493 nan 8.150 nan 0.000 0.445 308 R N -1.110 119.343 120.500 -0.078 0.000 2.081 308 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 308 R C 2.291 178.596 176.300 0.008 0.000 1.131 308 R CA 1.820 57.899 56.100 -0.035 0.000 0.960 308 R CB -0.686 29.591 30.300 -0.039 0.000 0.856 308 R HN 0.577 nan 8.270 nan 0.000 0.436 309 T N 1.602 116.157 114.554 0.002 0.000 2.737 309 T HA -0.050 4.299 4.350 -0.001 0.000 0.265 309 T C 1.867 176.676 174.700 0.182 0.000 1.038 309 T CA 0.922 63.076 62.100 0.091 0.000 1.144 309 T CB -0.086 68.853 68.868 0.119 0.000 0.866 309 T HN 0.138 nan 8.240 nan 0.000 0.434 310 L N 1.584 122.886 121.223 0.132 0.000 2.291 310 L HA -0.010 4.330 4.340 -0.001 0.000 0.214 310 L C 2.649 179.597 176.870 0.129 0.000 1.120 310 L CA 1.183 56.167 54.840 0.240 0.000 0.799 310 L CB -0.549 41.573 42.059 0.104 0.000 0.925 310 L HN 0.388 nan 8.230 nan 0.000 0.446 311 S N -2.752 112.985 115.700 0.062 0.000 2.524 311 S HA -0.012 4.458 4.470 -0.001 0.000 0.216 311 S C 0.611 175.232 174.600 0.035 0.000 0.987 311 S CA -0.344 57.867 58.200 0.018 0.000 0.909 311 S CB -0.008 63.188 63.200 -0.007 0.000 0.781 311 S HN 0.254 nan 8.310 nan 0.000 0.521 312 D N 2.157 122.608 120.400 0.085 0.000 2.392 312 D HA 0.402 5.042 4.640 -0.001 0.000 0.228 312 D C -2.091 174.303 176.300 0.157 0.000 1.074 312 D CA -2.367 51.688 54.000 0.093 0.000 0.838 312 D CB 2.011 42.861 40.800 0.084 0.000 1.067 312 D HN -0.070 nan 8.370 nan 0.000 0.511 313 P HA -0.170 nan 4.420 nan 0.000 0.216 313 P C 1.141 178.582 177.300 0.235 0.000 1.150 313 P CA 1.074 64.264 63.100 0.150 0.000 0.843 313 P CB 0.250 31.989 31.700 0.065 0.000 0.787 314 E N 0.092 120.395 120.200 0.171 0.000 2.072 314 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 314 E C 1.845 178.579 176.600 0.222 0.000 0.985 314 E CA 1.143 57.646 56.400 0.171 0.000 0.801 314 E CB -0.742 29.020 29.700 0.104 0.000 0.750 314 E HN 0.203 nan 8.360 nan 0.000 0.452 315 L N -0.081 121.267 121.223 0.208 0.000 2.109 315 L HA -0.053 4.287 4.340 -0.001 0.000 0.207 315 L C 2.636 179.675 176.870 0.281 0.000 1.086 315 L CA 0.915 55.876 54.840 0.201 0.000 0.760 315 L CB -0.522 41.630 42.059 0.154 0.000 0.910 315 L HN 0.155 nan 8.230 nan 0.000 0.437 316 F N 0.727 120.799 119.950 0.203 0.000 2.095 316 F HA -0.313 4.214 4.527 0.001 0.000 0.298 316 F C 2.664 178.633 175.800 0.281 0.000 1.104 316 F CA 2.169 60.340 58.000 0.286 0.000 1.232 316 F CB -0.290 38.851 39.000 0.236 0.000 0.987 316 F HN 0.104 nan 8.300 nan 0.000 0.475 317 H N -0.200 119.047 119.070 0.294 0.000 2.321 317 H HA -0.169 4.386 4.556 -0.001 0.000 0.300 317 H C 2.323 177.664 175.328 0.022 0.000 1.087 317 H CA 2.237 58.372 56.048 0.144 0.000 1.319 317 H CB -0.407 29.456 29.762 0.168 0.000 1.379 317 H HN 0.510 nan 8.280 nan 0.000 0.501 318 E N -0.812 119.443 120.200 0.092 0.000 2.077 318 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 318 E C 1.933 178.498 176.600 -0.058 0.000 0.989 318 E CA 1.193 57.606 56.400 0.022 0.000 0.800 318 E CB -0.366 29.393 29.700 0.099 0.000 0.746 318 E HN 0.651 nan 8.360 nan 0.000 0.452 319 W N 1.685 122.843 121.300 -0.237 0.000 2.355 319 W HA -0.209 4.450 4.660 -0.002 0.000 0.309 319 W C 2.452 178.723 176.519 -0.413 0.000 1.206 319 W CA 3.030 60.163 57.345 -0.353 0.000 1.284 319 W CB -0.973 28.230 29.460 -0.429 0.000 1.145 319 W HN 0.167 nan 8.180 nan 0.000 0.502 320 T N -2.129 111.991 114.554 -0.724 0.000 2.803 320 T HA -0.124 4.226 4.350 -0.001 0.000 0.269 320 T C 2.019 176.362 174.700 -0.594 0.000 1.052 320 T CA 1.767 63.352 62.100 -0.857 0.000 1.136 320 T CB -1.362 67.100 68.868 -0.676 0.000 0.864 320 T HN 0.239 nan 8.240 nan 0.000 0.467 321 G N 1.378 109.904 108.800 -0.456 0.000 2.408 321 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.217 321 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.217 321 G C 1.584 176.361 174.900 -0.205 0.000 1.150 321 G CA 0.708 45.631 45.100 -0.295 0.000 0.776 321 G HN 0.675 nan 8.290 nan 0.000 0.542 322 N N -0.046 118.542 118.700 -0.186 0.000 2.142 322 N HA -0.088 4.651 4.740 -0.001 0.000 0.186 322 N C 2.166 177.619 175.510 -0.094 0.000 1.023 322 N CA 0.877 53.928 53.050 0.000 0.000 0.852 322 N CB -0.057 38.413 38.487 -0.028 0.000 0.998 322 N HN 0.157 nan 8.380 nan 0.000 0.424 323 V N 1.570 121.242 119.914 -0.403 0.000 2.343 323 V HA -0.233 3.886 4.120 -0.001 0.000 0.247 323 V C 2.305 178.177 176.094 -0.370 0.000 1.051 323 V CA 1.542 63.571 62.300 -0.451 0.000 1.036 323 V CB -0.409 30.948 31.823 -0.778 0.000 0.654 323 V HN 0.274 nan 8.190 nan 0.000 0.451 324 K N -0.288 119.907 120.400 -0.341 0.000 2.097 324 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 324 K C 2.164 178.623 176.600 -0.235 0.000 1.049 324 K CA 1.870 57.997 56.287 -0.266 0.000 0.933 324 K CB -0.320 32.045 32.500 -0.224 0.000 0.717 324 K HN 0.482 nan 8.250 nan 0.000 0.442 325 T N 1.345 115.776 114.554 -0.204 0.000 2.684 325 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 325 T C 1.767 176.295 174.700 -0.287 0.000 1.036 325 T CA 1.863 63.838 62.100 -0.209 0.000 1.148 325 T CB -0.126 68.637 68.868 -0.175 0.000 0.863 325 T HN 0.258 nan 8.240 nan 0.000 0.436 326 M N 0.804 120.175 119.600 -0.382 0.000 2.086 326 M HA -0.040 4.440 4.480 -0.001 0.000 0.261 326 M C 2.905 178.933 176.300 -0.455 0.000 1.067 326 M CA 1.675 56.630 55.300 -0.575 0.000 1.116 326 M CB -0.576 31.489 32.600 -0.891 0.000 1.348 326 M HN 0.302 nan 8.290 nan 0.000 0.407 327 A N 0.498 123.024 122.820 -0.489 0.000 1.902 327 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 327 A C 1.730 179.176 177.584 -0.231 0.000 1.181 327 A CA 2.107 53.906 52.037 -0.397 0.000 0.623 327 A CB -0.780 18.026 19.000 -0.324 0.000 0.818 327 A HN 0.393 nan 8.150 nan 0.000 0.443 328 D N -0.804 119.477 120.400 -0.198 0.000 2.117 328 D HA -0.162 4.477 4.640 -0.001 0.000 0.197 328 D C 2.084 178.318 176.300 -0.110 0.000 0.987 328 D CA 1.551 55.469 54.000 -0.136 0.000 0.829 328 D CB -0.332 40.392 40.800 -0.126 0.000 0.961 328 D HN 0.602 nan 8.370 nan 0.000 0.460 329 R N 0.666 121.101 120.500 -0.109 0.000 2.096 329 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 329 R C 2.255 178.522 176.300 -0.056 0.000 1.127 329 R CA 1.057 57.117 56.100 -0.068 0.000 0.968 329 R CB -0.364 29.921 30.300 -0.026 0.000 0.861 329 R HN 0.162 nan 8.270 nan 0.000 0.440 330 I N 0.658 121.190 120.570 -0.063 0.000 2.202 330 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 330 I C 2.189 178.273 176.117 -0.055 0.000 1.091 330 I CA 1.131 62.397 61.300 -0.056 0.000 1.368 330 I CB -0.252 37.703 38.000 -0.075 0.000 1.058 330 I HN 0.197 nan 8.210 nan 0.000 0.410 331 L N 0.028 121.210 121.223 -0.067 0.000 2.042 331 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 331 L C 2.790 179.634 176.870 -0.042 0.000 1.076 331 L CA 1.633 56.443 54.840 -0.050 0.000 0.749 331 L CB -0.608 41.416 42.059 -0.058 0.000 0.893 331 L HN 0.298 nan 8.230 nan 0.000 0.432 332 S N -0.345 115.324 115.700 -0.051 0.000 2.356 332 S HA -0.202 4.267 4.470 -0.001 0.000 0.223 332 S C 2.117 176.692 174.600 -0.041 0.000 1.032 332 S CA 1.220 59.392 58.200 -0.046 0.000 1.005 332 S CB -0.028 63.140 63.200 -0.053 0.000 0.867 332 S HN 0.234 nan 8.310 nan 0.000 0.449 333 M N 1.076 120.650 119.600 -0.043 0.000 2.175 333 M HA 0.038 4.518 4.480 -0.001 0.000 0.264 333 M C 2.282 178.562 176.300 -0.033 0.000 1.063 333 M CA 1.284 56.561 55.300 -0.040 0.000 1.119 333 M CB -1.393 31.181 32.600 -0.042 0.000 1.377 333 M HN 0.380 nan 8.290 nan 0.000 0.415 334 R N 0.427 120.911 120.500 -0.027 0.000 2.070 334 R HA -0.120 4.220 4.340 -0.001 0.000 0.233 334 R C 2.511 178.799 176.300 -0.020 0.000 1.137 334 R CA 2.053 58.142 56.100 -0.018 0.000 0.945 334 R CB -0.601 29.695 30.300 -0.007 0.000 0.845 334 R HN 0.496 nan 8.270 nan 0.000 0.430 335 S N 1.030 116.718 115.700 -0.020 0.000 2.370 335 S HA -0.152 4.318 4.470 -0.001 0.000 0.226 335 S C 1.736 176.321 174.600 -0.025 0.000 1.033 335 S CA 0.998 59.188 58.200 -0.017 0.000 1.011 335 S CB -0.226 62.964 63.200 -0.018 0.000 0.852 335 S HN 0.204 nan 8.310 nan 0.000 0.457 336 E N 1.387 121.568 120.200 -0.033 0.000 2.047 336 E HA -0.008 4.342 4.350 -0.001 0.000 0.191 336 E C 2.110 178.678 176.600 -0.053 0.000 0.987 336 E CA 0.800 57.176 56.400 -0.040 0.000 0.799 336 E CB -0.789 28.887 29.700 -0.040 0.000 0.752 336 E HN 0.475 nan 8.360 nan 0.000 0.449 337 L N 1.395 122.583 121.223 -0.058 0.000 2.046 337 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 337 L C 2.567 179.368 176.870 -0.115 0.000 1.077 337 L CA 1.799 56.586 54.840 -0.088 0.000 0.747 337 L CB -0.342 41.669 42.059 -0.080 0.000 0.896 337 L HN -0.001 nan 8.230 nan 0.000 0.432 338 R N -0.608 119.850 120.500 -0.070 0.000 2.083 338 R HA -0.192 4.147 4.340 -0.001 0.000 0.237 338 R C 2.186 178.457 176.300 -0.049 0.000 1.137 338 R CA 1.584 57.659 56.100 -0.041 0.000 0.951 338 R CB -0.496 29.818 30.300 0.023 0.000 0.851 338 R HN 0.496 nan 8.270 nan 0.000 0.434 339 A N 1.026 123.823 122.820 -0.038 0.000 1.883 339 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 339 A C 2.225 179.773 177.584 -0.060 0.000 1.186 339 A CA 1.743 53.759 52.037 -0.034 0.000 0.624 339 A CB -0.477 18.506 19.000 -0.027 0.000 0.822 339 A HN 0.395 nan 8.150 nan 0.000 0.444 340 R N -0.630 119.819 120.500 -0.085 0.000 2.075 340 R HA 0.053 4.393 4.340 -0.001 0.000 0.232 340 R C 2.056 178.267 176.300 -0.148 0.000 1.126 340 R CA 1.282 57.319 56.100 -0.104 0.000 0.963 340 R CB -0.450 29.790 30.300 -0.100 0.000 0.858 340 R HN 0.500 nan 8.270 nan 0.000 0.435 341 L N 0.473 121.567 121.223 -0.216 0.000 2.131 341 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 341 L C 1.963 178.706 176.870 -0.210 0.000 1.092 341 L CA 1.407 56.040 54.840 -0.344 0.000 0.759 341 L CB -0.251 41.378 42.059 -0.716 0.000 0.903 341 L HN 0.286 nan 8.230 nan 0.000 0.435 342 E N -0.226 119.911 120.200 -0.105 0.000 2.122 342 E HA -0.087 4.262 4.350 -0.001 0.000 0.190 342 E C 2.286 178.883 176.600 -0.005 0.000 0.977 342 E CA 0.815 57.221 56.400 0.010 0.000 0.820 342 E CB -0.048 29.688 29.700 0.060 0.000 0.770 342 E HN 0.440 nan 8.360 nan 0.000 0.462 343 A N 1.230 124.026 122.820 -0.040 0.000 2.019 343 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 343 A C 1.995 179.538 177.584 -0.068 0.000 1.164 343 A CA 0.775 52.786 52.037 -0.043 0.000 0.644 343 A CB -0.267 18.703 19.000 -0.050 0.000 0.805 343 A HN 0.161 nan 8.150 nan 0.000 0.449 344 L N -1.724 119.433 121.223 -0.110 0.000 2.552 344 L HA -0.002 4.338 4.340 -0.001 0.000 0.227 344 L C 0.218 177.026 176.870 -0.103 0.000 1.146 344 L CA 1.050 55.760 54.840 -0.216 0.000 0.858 344 L CB -0.903 40.971 42.059 -0.308 0.000 0.969 344 L HN 0.375 nan 8.230 nan 0.000 0.451 345 K N 0.616 121.028 120.400 0.020 0.000 3.419 345 K HA -0.154 4.166 4.320 -0.001 0.000 0.272 345 K C 0.033 176.775 176.600 0.237 0.000 0.973 345 K CA 0.395 56.749 56.287 0.112 0.000 0.749 345 K CB -1.804 30.750 32.500 0.090 0.000 1.403 345 K HN 0.197 nan 8.250 nan 0.000 0.456 346 T N 2.349 117.063 114.554 0.266 0.000 2.884 346 T HA 0.298 4.648 4.350 -0.001 0.000 0.298 346 T C -2.053 172.881 174.700 0.390 0.000 0.998 346 T CA -1.233 61.066 62.100 0.333 0.000 1.124 346 T CB 0.850 69.808 68.868 0.149 0.000 0.931 346 T HN 0.052 nan 8.240 nan 0.000 0.531 347 P HA 0.434 nan 4.420 nan 0.000 0.271 347 P C 0.421 177.865 177.300 0.241 0.000 1.216 347 P CA 0.332 63.547 63.100 0.191 0.000 0.771 347 P CB 0.356 32.097 31.700 0.070 0.000 0.864 348 G N 0.749 109.581 108.800 0.052 0.000 2.612 348 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.686 348 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.686 348 G C -0.790 173.895 174.900 -0.359 0.000 1.274 348 G CA -0.440 44.528 45.100 -0.220 0.000 0.849 348 G HN 0.721 nan 8.290 nan 0.000 0.595 349 T N -0.857 113.406 114.554 -0.485 0.000 2.845 349 T HA 0.570 4.920 4.350 -0.001 0.000 0.288 349 T C 0.398 174.802 174.700 -0.493 0.000 0.980 349 T CA 0.310 62.223 62.100 -0.312 0.000 1.071 349 T CB 0.664 69.436 68.868 -0.160 0.000 0.941 349 T HN 0.670 nan 8.240 nan 0.000 0.487 350 W N 3.645 125.045 121.300 0.168 0.000 2.846 350 W HA 0.276 4.936 4.660 -0.001 0.000 0.391 350 W C 1.888 178.440 176.519 0.055 0.000 1.011 350 W CA -0.739 56.690 57.345 0.141 0.000 1.832 350 W CB 0.209 29.697 29.460 0.047 0.000 1.151 350 W HN 0.788 nan 8.180 nan 0.000 0.582 351 N N 1.059 119.900 118.700 0.235 0.000 2.381 351 N HA -0.243 4.497 4.740 -0.001 0.000 0.182 351 N C 1.573 177.175 175.510 0.154 0.000 1.025 351 N CA 1.589 54.730 53.050 0.153 0.000 0.888 351 N CB -0.860 37.690 38.487 0.106 0.000 0.965 351 N HN 0.374 nan 8.380 nan 0.000 0.438 352 H N 1.702 120.844 119.070 0.119 0.000 2.421 352 H HA -0.010 4.546 4.556 -0.001 0.000 0.298 352 H C 1.927 177.370 175.328 0.191 0.000 1.087 352 H CA 0.563 56.702 56.048 0.153 0.000 1.330 352 H CB -0.410 29.464 29.762 0.186 0.000 1.388 352 H HN 0.142 nan 8.280 nan 0.000 0.526 353 I N 1.321 121.745 120.570 -0.243 0.000 2.361 353 I HA -0.170 3.999 4.170 -0.001 0.000 0.251 353 I C 1.926 178.047 176.117 0.006 0.000 1.133 353 I CA 1.247 62.477 61.300 -0.116 0.000 1.413 353 I CB -0.982 36.970 38.000 -0.080 0.000 1.073 353 I HN 0.306 nan 8.210 nan 0.000 0.424 354 T N -0.422 114.151 114.554 0.031 0.000 3.040 354 T HA -0.009 4.341 4.350 -0.001 0.000 0.252 354 T C 1.349 176.083 174.700 0.057 0.000 1.064 354 T CA 0.357 62.481 62.100 0.040 0.000 1.110 354 T CB 0.237 69.129 68.868 0.040 0.000 0.921 354 T HN 0.181 nan 8.240 nan 0.000 0.480 355 D N 1.367 121.817 120.400 0.084 0.000 2.234 355 D HA 0.068 4.708 4.640 -0.001 0.000 0.205 355 D C 1.031 177.400 176.300 0.114 0.000 0.962 355 D CA 0.546 54.602 54.000 0.094 0.000 0.855 355 D CB 0.046 40.911 40.800 0.108 0.000 0.951 355 D HN 0.462 nan 8.370 nan 0.000 0.500 356 Q N 0.045 119.926 119.800 0.135 0.000 2.394 356 Q HA 0.419 4.759 4.340 -0.001 0.000 0.248 356 Q C -0.135 175.929 176.000 0.107 0.000 0.992 356 Q CA 0.211 56.104 55.803 0.150 0.000 0.888 356 Q CB 1.572 30.417 28.738 0.178 0.000 1.257 356 Q HN 0.098 nan 8.270 nan 0.000 0.462 357 I N 0.578 121.217 120.570 0.114 0.000 2.608 357 I HA 0.638 4.807 4.170 -0.001 0.000 0.295 357 I C 0.368 176.520 176.117 0.057 0.000 1.049 357 I CA -0.428 60.924 61.300 0.087 0.000 1.063 357 I CB 2.004 40.077 38.000 0.122 0.000 1.248 357 I HN 0.835 nan 8.210 nan 0.000 0.424 358 G N 4.375 113.188 108.800 0.021 0.000 2.582 358 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.222 358 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.222 358 G C 0.161 175.032 174.900 -0.049 0.000 1.311 358 G CA -0.164 44.921 45.100 -0.025 0.000 0.915 358 G HN 0.512 nan 8.290 nan 0.000 0.528 359 M N -0.728 118.780 119.600 -0.154 0.000 2.200 359 M HA 0.206 4.685 4.480 -0.001 0.000 0.265 359 M C 0.521 176.586 176.300 -0.392 0.000 1.066 359 M CA 1.291 56.413 55.300 -0.297 0.000 1.127 359 M CB -0.084 32.123 32.600 -0.655 0.000 1.379 359 M HN 0.289 nan 8.290 nan 0.000 0.420 360 F N -0.355 119.601 119.950 0.010 0.000 2.404 360 F HA 0.341 4.868 4.527 -0.001 0.000 0.339 360 F C 0.399 176.233 175.800 0.056 0.000 1.105 360 F CA -0.984 57.036 58.000 0.033 0.000 1.087 360 F CB 1.249 40.257 39.000 0.013 0.000 1.143 360 F HN -0.234 nan 8.300 nan 0.000 0.491 361 S N 3.283 119.172 115.700 0.316 0.000 2.614 361 S HA 0.545 5.015 4.470 -0.001 0.000 0.288 361 S C -1.387 173.399 174.600 0.309 0.000 1.137 361 S CA -0.480 57.870 58.200 0.249 0.000 0.992 361 S CB 0.307 63.614 63.200 0.178 0.000 1.026 361 S HN 0.323 nan 8.310 nan 0.000 0.486 362 F N 4.385 124.314 119.950 -0.035 0.000 2.404 362 F HA 0.267 4.794 4.527 -0.000 0.000 0.359 362 F C 2.045 177.895 175.800 0.084 0.000 1.134 362 F CA -0.662 57.221 58.000 -0.196 0.000 1.160 362 F CB 0.964 39.483 39.000 -0.802 0.000 1.186 362 F HN 0.804 nan 8.300 nan 0.000 0.526 363 T N -0.152 114.525 114.554 0.205 0.000 2.915 363 T HA 0.115 4.464 4.350 -0.001 0.000 0.269 363 T C 1.706 176.695 174.700 0.483 0.000 1.071 363 T CA 0.921 63.259 62.100 0.397 0.000 1.132 363 T CB -0.341 68.689 68.868 0.269 0.000 0.878 363 T HN 0.981 nan 8.240 nan 0.000 0.479 364 G N 0.952 109.875 108.800 0.205 0.000 2.176 364 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.232 364 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.232 364 G C -0.049 174.889 174.900 0.064 0.000 0.986 364 G CA -0.080 45.103 45.100 0.138 0.000 0.643 364 G HN 0.632 nan 8.290 nan 0.000 0.522 365 L N 1.621 122.883 121.223 0.066 0.000 2.426 365 L HA 0.321 4.660 4.340 -0.001 0.000 0.271 365 L C 1.023 177.880 176.870 -0.021 0.000 1.169 365 L CA -0.418 54.450 54.840 0.047 0.000 0.836 365 L CB 0.323 42.421 42.059 0.064 0.000 1.112 365 L HN 0.514 nan 8.230 nan 0.000 0.465 366 N N 3.509 122.202 118.700 -0.011 0.000 2.381 366 N HA 0.240 4.980 4.740 -0.001 0.000 0.254 366 N C -2.131 173.362 175.510 -0.029 0.000 1.264 366 N CA -1.603 51.432 53.050 -0.025 0.000 0.942 366 N CB -0.052 38.426 38.487 -0.016 0.000 1.190 366 N HN 0.227 nan 8.380 nan 0.000 0.495 367 P HA -0.130 nan 4.420 nan 0.000 0.220 367 P C 0.937 178.231 177.300 -0.010 0.000 1.148 367 P CA 1.260 64.344 63.100 -0.026 0.000 0.803 367 P CB 0.203 31.888 31.700 -0.024 0.000 0.782 368 K N 0.823 121.218 120.400 -0.008 0.000 2.026 368 K HA -0.139 4.181 4.320 -0.001 0.000 0.208 368 K C 2.228 178.837 176.600 0.014 0.000 1.048 368 K CA 1.668 57.955 56.287 0.000 0.000 0.929 368 K CB -0.932 31.561 32.500 -0.010 0.000 0.713 368 K HN 0.124 nan 8.250 nan 0.000 0.439 369 Q N -0.611 119.191 119.800 0.003 0.000 2.224 369 Q HA -0.051 4.289 4.340 -0.001 0.000 0.203 369 Q C 1.925 177.966 176.000 0.069 0.000 0.970 369 Q CA 1.073 56.885 55.803 0.015 0.000 0.865 369 Q CB 0.100 28.834 28.738 -0.006 0.000 0.922 369 Q HN 0.048 nan 8.270 nan 0.000 0.445 370 V N 0.848 120.780 119.914 0.029 0.000 2.323 370 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 370 V C 2.073 178.166 176.094 -0.001 0.000 1.041 370 V CA 1.793 64.097 62.300 0.007 0.000 1.025 370 V CB -0.429 31.380 31.823 -0.024 0.000 0.656 370 V HN 0.357 nan 8.190 nan 0.000 0.451 371 E N -0.706 119.501 120.200 0.011 0.000 2.086 371 E HA -0.317 4.033 4.350 -0.001 0.000 0.200 371 E C 2.107 178.703 176.600 -0.006 0.000 1.012 371 E CA 2.255 58.654 56.400 -0.002 0.000 0.812 371 E CB -0.290 29.419 29.700 0.016 0.000 0.743 371 E HN 0.732 nan 8.360 nan 0.000 0.453 372 Y N 0.870 121.120 120.300 -0.083 0.000 2.089 372 Y HA -0.228 4.321 4.550 -0.001 0.000 0.282 372 Y C 2.018 177.840 175.900 -0.131 0.000 1.139 372 Y CA 1.756 59.800 58.100 -0.093 0.000 1.123 372 Y CB -0.462 37.956 38.460 -0.071 0.000 0.980 372 Y HN -0.000 nan 8.280 nan 0.000 0.493 373 L N -0.110 121.101 121.223 -0.021 0.000 2.089 373 L HA -0.291 4.049 4.340 -0.001 0.000 0.213 373 L C 2.340 179.020 176.870 -0.318 0.000 1.079 373 L CA 1.811 56.554 54.840 -0.161 0.000 0.758 373 L CB -0.538 41.509 42.059 -0.020 0.000 0.891 373 L HN 0.386 nan 8.230 nan 0.000 0.433 374 I N -1.013 119.373 120.570 -0.308 0.000 2.206 374 I HA -0.202 3.967 4.170 -0.001 0.000 0.239 374 I C 2.212 178.038 176.117 -0.485 0.000 1.078 374 I CA 0.839 61.865 61.300 -0.458 0.000 1.367 374 I CB -0.485 37.315 38.000 -0.334 0.000 1.078 374 I HN 0.241 nan 8.210 nan 0.000 0.413 375 N N 0.824 119.314 118.700 -0.350 0.000 2.025 375 N HA -0.179 4.560 4.740 -0.001 0.000 0.194 375 N C 1.893 177.122 175.510 -0.469 0.000 1.044 375 N CA 1.398 54.263 53.050 -0.308 0.000 0.851 375 N CB -0.424 37.958 38.487 -0.175 0.000 1.036 375 N HN 0.373 nan 8.380 nan 0.000 0.422 376 Q N 0.530 120.004 119.800 -0.545 0.000 2.123 376 Q HA 0.091 4.430 4.340 -0.001 0.000 0.196 376 Q C 1.416 177.079 176.000 -0.562 0.000 0.958 376 Q CA 1.006 56.449 55.803 -0.600 0.000 0.841 376 Q CB -0.046 28.164 28.738 -0.880 0.000 0.915 376 Q HN 0.312 nan 8.270 nan 0.000 0.455 377 K N -0.388 119.675 120.400 -0.561 0.000 2.361 377 K HA 0.076 4.395 4.320 -0.001 0.000 0.194 377 K C -0.199 176.423 176.600 0.036 0.000 1.032 377 K CA 0.010 56.175 56.287 -0.202 0.000 1.048 377 K CB 0.350 32.693 32.500 -0.263 0.000 0.842 377 K HN 0.272 nan 8.250 nan 0.000 0.526 378 H N -0.356 118.676 119.070 -0.063 0.000 2.941 378 H HA -0.124 4.432 4.556 -0.001 0.000 0.279 378 H C -0.518 174.859 175.328 0.083 0.000 1.247 378 H CA 0.518 56.567 56.048 0.003 0.000 1.129 378 H CB -2.098 27.767 29.762 0.172 0.000 1.313 378 H HN 0.148 nan 8.280 nan 0.000 0.384 379 I N 1.336 121.865 120.570 -0.069 0.000 2.354 379 I HA 0.155 4.325 4.170 -0.001 0.000 0.286 379 I C 0.051 176.069 176.117 -0.165 0.000 1.007 379 I CA -0.606 60.705 61.300 0.019 0.000 1.167 379 I CB 0.693 38.690 38.000 -0.005 0.000 1.320 379 I HN -0.046 nan 8.210 nan 0.000 0.458 380 Y N 7.658 127.987 120.300 0.048 0.000 2.383 380 Y HA 0.598 5.148 4.550 -0.001 0.000 0.344 380 Y C 0.179 176.062 175.900 -0.029 0.000 0.986 380 Y CA -0.524 57.585 58.100 0.016 0.000 1.175 380 Y CB 0.902 39.369 38.460 0.012 0.000 1.152 380 Y HN 0.401 nan 8.280 nan 0.000 0.511 381 L N 1.257 122.526 121.223 0.077 0.000 2.568 381 L HA 0.664 5.003 4.340 -0.001 0.000 0.257 381 L C -1.605 175.276 176.870 0.018 0.000 1.024 381 L CA -1.266 53.598 54.840 0.040 0.000 0.854 381 L CB 1.657 43.726 42.059 0.017 0.000 1.460 381 L HN 0.360 nan 8.230 nan 0.000 0.409 382 L N 1.744 122.965 121.223 -0.004 0.000 2.452 382 L HA 0.284 4.624 4.340 -0.001 0.000 0.267 382 L C -1.223 175.613 176.870 -0.057 0.000 1.188 382 L CA -1.461 53.363 54.840 -0.027 0.000 0.821 382 L CB 0.657 42.691 42.059 -0.042 0.000 1.102 382 L HN 0.590 nan 8.230 nan 0.000 0.470 383 P HA -0.119 nan 4.420 nan 0.000 0.225 383 P C 1.230 178.462 177.300 -0.115 0.000 1.148 383 P CA 0.941 64.004 63.100 -0.062 0.000 0.779 383 P CB 0.154 31.833 31.700 -0.035 0.000 0.780 384 S N -1.071 114.531 115.700 -0.163 0.000 2.453 384 S HA 0.136 4.606 4.470 -0.001 0.000 0.231 384 S C 1.785 176.027 174.600 -0.596 0.000 1.005 384 S CA 0.934 58.939 58.200 -0.326 0.000 0.949 384 S CB -1.342 61.709 63.200 -0.248 0.000 0.774 384 S HN 0.311 nan 8.310 nan 0.000 0.510 385 G N 1.073 109.650 108.800 -0.371 0.000 2.159 385 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.227 385 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.227 385 G C 0.046 174.789 174.900 -0.261 0.000 0.986 385 G CA -0.051 44.868 45.100 -0.301 0.000 0.651 385 G HN 0.663 nan 8.290 nan 0.000 0.523 386 R N 0.839 121.197 120.500 -0.236 0.000 2.438 386 R HA 0.589 4.928 4.340 -0.001 0.000 0.287 386 R C 0.733 177.082 176.300 0.082 0.000 1.077 386 R CA 0.050 56.167 56.100 0.028 0.000 1.034 386 R CB 0.133 30.515 30.300 0.137 0.000 0.993 386 R HN 0.690 nan 8.270 nan 0.000 0.459 387 I N 0.548 121.220 120.570 0.169 0.000 2.892 387 I HA 0.449 4.618 4.170 -0.001 0.000 0.306 387 I C -1.014 175.277 176.117 0.290 0.000 1.078 387 I CA -1.235 60.167 61.300 0.170 0.000 1.032 387 I CB 2.210 40.271 38.000 0.103 0.000 1.229 387 I HN 0.413 nan 8.210 nan 0.000 0.435 388 N N 5.064 123.899 118.700 0.225 0.000 2.437 388 N HA 0.317 5.057 4.740 -0.001 0.000 0.259 388 N C 0.467 175.994 175.510 0.028 0.000 0.983 388 N CA -0.670 52.466 53.050 0.143 0.000 0.937 388 N CB 1.404 39.984 38.487 0.154 0.000 1.122 388 N HN 0.720 nan 8.380 nan 0.000 0.499 389 M N 1.746 121.340 119.600 -0.010 0.000 2.358 389 M HA -0.091 4.388 4.480 -0.001 0.000 0.264 389 M C 1.578 177.851 176.300 -0.046 0.000 1.064 389 M CA 0.607 55.896 55.300 -0.018 0.000 1.093 389 M CB -1.082 31.507 32.600 -0.017 0.000 1.401 389 M HN 0.550 nan 8.290 nan 0.000 0.440 390 C N 0.210 119.471 119.300 -0.064 0.000 2.472 390 C HA 0.047 4.507 4.460 -0.001 0.000 0.278 390 C C 2.639 177.555 174.990 -0.124 0.000 1.447 390 C CA 0.661 59.607 59.018 -0.121 0.000 1.773 390 C CB -1.849 25.807 27.740 -0.140 0.000 1.793 390 C HN 0.698 nan 8.230 nan 0.000 0.544 391 G N -0.224 108.530 108.800 -0.076 0.000 2.712 391 G HA2 0.174 4.133 3.960 -0.001 0.000 0.212 391 G HA3 0.174 4.133 3.960 -0.001 0.000 0.212 391 G C 0.525 175.394 174.900 -0.052 0.000 1.142 391 G CA 0.131 45.187 45.100 -0.073 0.000 0.789 391 G HN 0.457 nan 8.290 nan 0.000 0.535 392 L N 1.387 122.581 121.223 -0.048 0.000 2.357 392 L HA 0.562 4.901 4.340 -0.001 0.000 0.273 392 L C 0.513 177.352 176.870 -0.051 0.000 1.080 392 L CA -0.493 54.327 54.840 -0.034 0.000 0.803 392 L CB 1.894 43.936 42.059 -0.029 0.000 1.174 392 L HN 0.128 nan 8.230 nan 0.000 0.443 393 T N -3.611 110.923 114.554 -0.034 0.000 2.864 393 T HA 0.197 4.546 4.350 -0.001 0.000 0.299 393 T C 0.867 175.551 174.700 -0.026 0.000 1.166 393 T CA -0.053 62.022 62.100 -0.041 0.000 1.007 393 T CB 1.530 70.376 68.868 -0.036 0.000 1.219 393 T HN 0.688 nan 8.240 nan 0.000 0.506 394 T N -0.390 114.144 114.554 -0.032 0.000 2.822 394 T HA -0.140 4.209 4.350 -0.001 0.000 0.270 394 T C 1.466 176.159 174.700 -0.012 0.000 1.064 394 T CA 1.076 63.161 62.100 -0.024 0.000 1.131 394 T CB -0.497 68.353 68.868 -0.029 0.000 0.858 394 T HN 0.722 nan 8.240 nan 0.000 0.483 395 K N 1.881 122.277 120.400 -0.007 0.000 2.186 395 K HA 0.041 4.360 4.320 -0.001 0.000 0.202 395 K C 1.533 178.147 176.600 0.023 0.000 1.052 395 K CA 1.177 57.466 56.287 0.003 0.000 0.965 395 K CB -0.389 32.110 32.500 -0.003 0.000 0.746 395 K HN 0.652 nan 8.250 nan 0.000 0.457 396 N N 0.716 119.438 118.700 0.037 0.000 2.220 396 N HA -0.022 4.717 4.740 -0.001 0.000 0.195 396 N C 1.518 177.084 175.510 0.093 0.000 1.123 396 N CA -0.170 52.935 53.050 0.090 0.000 0.874 396 N CB -0.196 38.355 38.487 0.107 0.000 0.995 396 N HN -0.086 nan 8.380 nan 0.000 0.498 397 L N 1.410 122.656 121.223 0.039 0.000 2.051 397 L HA -0.185 4.155 4.340 -0.001 0.000 0.214 397 L C 0.772 177.647 176.870 0.009 0.000 1.076 397 L CA 1.961 56.807 54.840 0.009 0.000 0.758 397 L CB -0.981 41.071 42.059 -0.012 0.000 0.890 397 L HN 0.109 nan 8.230 nan 0.000 0.433 398 D N -2.389 118.029 120.400 0.030 0.000 2.084 398 D HA -0.234 4.406 4.640 -0.001 0.000 0.196 398 D C 1.953 178.287 176.300 0.057 0.000 0.985 398 D CA 1.517 55.531 54.000 0.025 0.000 0.826 398 D CB -0.352 40.465 40.800 0.028 0.000 0.978 398 D HN 0.400 nan 8.370 nan 0.000 0.456 399 Y N 1.672 121.966 120.300 -0.011 0.000 2.069 399 Y HA -0.312 4.237 4.550 -0.001 0.000 0.278 399 Y C 2.103 178.006 175.900 0.004 0.000 1.175 399 Y CA 1.209 59.312 58.100 0.004 0.000 1.134 399 Y CB -0.720 37.750 38.460 0.018 0.000 0.965 399 Y HN -0.147 nan 8.280 nan 0.000 0.498 400 V N 0.438 120.304 119.914 -0.080 0.000 2.233 400 V HA -0.375 3.745 4.120 -0.001 0.000 0.247 400 V C 2.738 178.731 176.094 -0.169 0.000 1.050 400 V CA 2.207 64.412 62.300 -0.157 0.000 1.010 400 V CB -1.806 29.992 31.823 -0.042 0.000 0.637 400 V HN 0.580 nan 8.190 nan 0.000 0.444 401 A N -0.551 122.194 122.820 -0.126 0.000 1.892 401 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 401 A C 2.389 179.894 177.584 -0.131 0.000 1.188 401 A CA 2.827 54.775 52.037 -0.148 0.000 0.631 401 A CB -1.186 17.734 19.000 -0.134 0.000 0.822 401 A HN 0.518 nan 8.150 nan 0.000 0.447 402 T N 0.274 114.757 114.554 -0.117 0.000 2.652 402 T HA -0.145 4.205 4.350 -0.001 0.000 0.267 402 T C 2.263 176.924 174.700 -0.066 0.000 1.039 402 T CA 1.975 64.024 62.100 -0.084 0.000 1.153 402 T CB -0.412 68.422 68.868 -0.056 0.000 0.863 402 T HN 0.572 nan 8.240 nan 0.000 0.428 403 S N 1.046 116.631 115.700 -0.193 0.000 2.382 403 S HA -0.004 4.465 4.470 -0.001 0.000 0.228 403 S C 2.039 176.622 174.600 -0.029 0.000 1.027 403 S CA 0.884 58.990 58.200 -0.156 0.000 0.991 403 S CB -0.423 62.522 63.200 -0.425 0.000 0.823 403 S HN 0.421 nan 8.310 nan 0.000 0.469 404 I N 0.984 121.507 120.570 -0.077 0.000 2.252 404 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 404 I C 2.630 178.723 176.117 -0.041 0.000 1.102 404 I CA 1.324 62.586 61.300 -0.065 0.000 1.385 404 I CB -0.478 37.432 38.000 -0.150 0.000 1.064 404 I HN 0.413 nan 8.210 nan 0.000 0.414 405 H N 1.865 120.854 119.070 -0.135 0.000 2.319 405 H HA -0.200 4.355 4.556 -0.001 0.000 0.299 405 H C 1.976 177.261 175.328 -0.070 0.000 1.092 405 H CA 2.277 58.265 56.048 -0.099 0.000 1.302 405 H CB 0.108 29.811 29.762 -0.098 0.000 1.373 405 H HN 0.434 nan 8.280 nan 0.000 0.497 406 E N 0.670 120.870 120.200 0.002 0.000 2.038 406 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 406 E C 2.557 178.979 176.600 -0.297 0.000 1.000 406 E CA 0.891 57.233 56.400 -0.096 0.000 0.803 406 E CB -0.253 29.475 29.700 0.046 0.000 0.750 406 E HN 0.515 nan 8.360 nan 0.000 0.448 407 A N 1.376 124.027 122.820 -0.283 0.000 1.881 407 A HA -0.254 4.066 4.320 -0.001 0.000 0.219 407 A C 2.589 180.004 177.584 -0.282 0.000 1.215 407 A CA 2.030 53.815 52.037 -0.419 0.000 0.648 407 A CB -1.199 17.763 19.000 -0.063 0.000 0.832 407 A HN 0.182 nan 8.150 nan 0.000 0.455 408 V N 0.230 120.059 119.914 -0.140 0.000 2.568 408 V HA -0.226 3.894 4.120 -0.001 0.000 0.253 408 V C 2.840 178.852 176.094 -0.137 0.000 1.072 408 V CA 2.559 64.819 62.300 -0.067 0.000 1.084 408 V CB -0.900 30.966 31.823 0.072 0.000 0.676 408 V HN 0.950 nan 8.190 nan 0.000 0.469 409 T N -3.272 111.146 114.554 -0.227 0.000 3.004 409 T HA -0.007 4.342 4.350 -0.001 0.000 0.243 409 T C 1.848 176.431 174.700 -0.195 0.000 1.020 409 T CA 0.321 62.287 62.100 -0.223 0.000 1.145 409 T CB -0.151 68.526 68.868 -0.319 0.000 0.876 409 T HN 0.352 nan 8.240 nan 0.000 0.449 410 K N 0.880 121.127 120.400 -0.256 0.000 2.025 410 K HA 0.175 4.494 4.320 -0.001 0.000 0.207 410 K C 0.910 177.366 176.600 -0.240 0.000 1.049 410 K CA 0.816 56.950 56.287 -0.254 0.000 0.933 410 K CB -0.164 32.121 32.500 -0.360 0.000 0.714 410 K HN 0.420 nan 8.250 nan 0.000 0.438 411 I N 0.748 121.132 120.570 -0.309 0.000 2.607 411 I HA 0.230 4.399 4.170 -0.001 0.000 0.305 411 I C -0.224 175.812 176.117 -0.134 0.000 0.995 411 I CA -0.662 60.516 61.300 -0.203 0.000 1.148 411 I CB 1.780 39.654 38.000 -0.210 0.000 1.323 411 I HN 0.088 nan 8.210 nan 0.000 0.461 412 Q N 0.000 119.748 119.800 -0.086 0.000 2.315 412 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 412 Q CA 0.000 55.767 55.803 -0.060 0.000 1.022 412 Q CB 0.000 28.703 28.738 -0.059 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481