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 1mpb_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPR AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTRITK 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.564 176.600 -0.061 0.000 0.988 1 K CA 0.000 56.251 56.287 -0.060 0.000 0.838 1 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 2 I N 2.185 122.713 120.570 -0.071 0.000 2.441 2 I HA -0.009 nan 4.170 nan 0.000 0.287 2 I C -0.154 175.933 176.117 -0.051 0.000 1.049 2 I CA 0.155 61.412 61.300 -0.071 0.000 1.381 2 I CB 0.626 38.573 38.000 -0.089 0.000 1.409 2 I HN 0.268 8.433 8.210 -0.076 0.000 0.523 3 E N 5.678 125.852 120.200 -0.043 0.000 2.392 3 E HA -0.079 nan 4.350 nan 0.000 0.264 3 E C -0.664 175.919 176.600 -0.029 0.000 1.024 3 E CA 0.101 56.482 56.400 -0.031 0.000 0.903 3 E CB 0.658 30.343 29.700 -0.025 0.000 0.963 3 E HN 0.179 8.511 8.360 -0.045 0.000 0.432 4 E N 1.219 121.406 120.200 -0.022 0.000 2.349 4 E HA -0.074 nan 4.350 nan 0.000 0.265 4 E C 0.560 177.153 176.600 -0.011 0.000 1.064 4 E CA 0.509 56.899 56.400 -0.016 0.000 0.886 4 E CB 0.783 30.475 29.700 -0.014 0.000 1.036 4 E HN 0.190 8.537 8.360 -0.021 0.000 0.413 5 G N 2.371 111.168 108.800 -0.005 0.000 2.143 5 G HA2 -0.439 nan 3.960 nan 0.000 0.249 5 G HA3 -0.439 nan 3.960 nan 0.000 0.249 5 G C -2.001 172.901 174.900 0.003 0.000 0.981 5 G CA 0.426 45.526 45.100 -0.000 0.000 0.665 5 G HN 0.586 9.176 8.290 -0.002 -0.301 0.528 6 K N -3.879 116.521 120.400 -0.001 0.000 2.522 6 K HA 0.833 nan 4.320 nan 0.000 0.275 6 K C -1.912 174.672 176.600 -0.026 0.000 1.006 6 K CA -1.879 54.406 56.287 -0.004 0.000 0.890 6 K CB 3.262 35.755 32.500 -0.012 0.000 1.475 6 K HN -1.008 7.188 8.250 -0.007 0.050 0.441 7 L N 0.016 121.205 121.223 -0.056 0.000 2.381 7 L HA 0.428 nan 4.340 nan 0.000 0.274 7 L C -1.777 175.025 176.870 -0.112 0.000 0.988 7 L CA -0.943 53.825 54.840 -0.120 0.000 0.824 7 L CB 3.217 45.123 42.059 -0.255 0.000 1.263 7 L HN 0.456 8.659 8.230 -0.045 0.000 0.410 8 V N 4.626 124.484 119.914 -0.094 0.000 2.417 8 V HA 0.721 nan 4.120 nan 0.000 0.291 8 V C -1.372 174.695 176.094 -0.044 0.000 1.024 8 V CA -1.179 61.090 62.300 -0.051 0.000 0.861 8 V CB 1.757 33.552 31.823 -0.046 0.000 0.985 8 V HN 0.386 8.827 8.190 -0.102 -0.312 0.436 9 I N 4.510 125.118 120.570 0.063 0.000 2.433 9 I HA 0.623 nan 4.170 nan 0.000 0.292 9 I C -1.701 174.664 176.117 0.413 0.000 1.001 9 I CA -1.370 60.036 61.300 0.177 0.000 1.119 9 I CB 3.077 41.182 38.000 0.174 0.000 1.289 9 I HN 0.966 9.227 8.210 0.085 0.000 0.438 10 W N 6.245 127.653 121.300 0.180 0.000 2.475 10 W HA 0.730 nan 4.660 nan 0.000 0.317 10 W C -1.779 174.916 176.519 0.294 0.000 1.046 10 W CA -2.186 55.268 57.345 0.182 0.000 1.215 10 W CB 1.560 31.108 29.460 0.146 0.000 1.335 10 W HN 0.687 9.110 8.180 0.404 0.000 0.471 11 I N 2.288 123.105 120.570 0.412 0.000 2.827 11 I HA 0.095 nan 4.170 nan 0.000 0.298 11 I C -2.402 173.884 176.117 0.282 0.000 1.235 11 I CA -2.073 59.425 61.300 0.330 0.000 1.021 11 I CB 4.386 42.410 38.000 0.040 0.000 1.259 11 I HN 0.231 8.631 8.210 0.316 0.000 0.427 12 N N 5.393 124.269 118.700 0.294 0.000 2.453 12 N HA -0.059 nan 4.740 nan 0.000 0.253 12 N C 1.448 177.062 175.510 0.172 0.000 1.252 12 N CA 0.008 53.210 53.050 0.254 0.000 0.917 12 N CB 0.581 39.173 38.487 0.175 0.000 1.117 12 N HN 0.369 8.927 8.380 0.296 0.000 0.442 13 G N 0.649 109.541 108.800 0.153 0.000 2.509 13 G HA2 -0.319 nan 3.960 nan 0.000 0.218 13 G HA3 -0.319 nan 3.960 nan 0.000 0.218 13 G C -0.447 174.533 174.900 0.133 0.000 1.124 13 G CA 1.808 46.977 45.100 0.116 0.000 0.776 13 G HN 0.682 9.074 8.290 0.169 0.000 0.547 14 D N -3.243 117.192 120.400 0.058 0.000 2.328 14 D HA 0.047 nan 4.640 nan 0.000 0.226 14 D C -0.186 176.086 176.300 -0.047 0.000 1.066 14 D CA -0.458 53.537 54.000 -0.008 0.000 0.861 14 D CB -1.034 39.743 40.800 -0.037 0.000 0.912 14 D HN -0.047 8.317 8.370 0.059 0.042 0.521 15 K N -0.949 119.440 120.400 -0.018 0.000 2.245 15 K HA 0.361 nan 4.320 nan 0.000 0.234 15 K C 0.140 176.655 176.600 -0.141 0.000 1.021 15 K CA -2.288 53.958 56.287 -0.068 0.000 0.898 15 K CB 2.196 34.662 32.500 -0.056 0.000 1.163 15 K HN -0.411 7.692 8.250 0.062 0.184 0.459 16 G N -0.169 108.536 108.800 -0.159 0.000 3.008 16 G HA2 0.186 nan 3.960 nan 0.000 0.272 16 G HA3 0.186 nan 3.960 nan 0.000 0.272 16 G C 0.370 175.150 174.900 -0.200 0.000 0.764 16 G CA -0.135 44.830 45.100 -0.225 0.000 2.029 16 G HN 0.691 8.908 8.290 -0.122 0.000 0.587 17 Y N 1.873 122.101 120.300 -0.119 0.000 2.373 17 Y HA -0.340 nan 4.550 nan 0.000 0.293 17 Y C 1.123 176.999 175.900 -0.040 0.000 1.129 17 Y CA 1.492 59.537 58.100 -0.091 0.000 1.226 17 Y CB -1.010 37.391 38.460 -0.098 0.000 1.000 17 Y HN -0.166 7.702 8.280 -0.617 0.042 0.549 18 N N 1.701 120.295 118.700 -0.177 0.000 2.270 18 N HA -0.248 nan 4.740 nan 0.000 0.181 18 N C 2.392 177.893 175.510 -0.015 0.000 1.016 18 N CA 3.121 56.151 53.050 -0.032 0.000 0.870 18 N CB -0.349 38.066 38.487 -0.120 0.000 0.979 18 N HN -0.125 8.012 8.380 -0.645 -0.144 0.431 19 G N 0.293 109.056 108.800 -0.062 0.000 2.403 19 G HA2 -0.188 nan 3.960 nan 0.000 0.216 19 G HA3 -0.188 nan 3.960 nan 0.000 0.216 19 G C 0.909 175.821 174.900 0.020 0.000 1.154 19 G CA 1.542 46.627 45.100 -0.024 0.000 0.784 19 G HN -0.261 8.214 8.290 -0.134 -0.266 0.538 20 L N 1.602 122.837 121.223 0.021 0.000 2.083 20 L HA -0.243 nan 4.340 nan 0.000 0.209 20 L C 1.553 178.507 176.870 0.141 0.000 1.083 20 L CA 2.061 56.946 54.840 0.075 0.000 0.752 20 L CB -0.596 41.468 42.059 0.008 0.000 0.899 20 L HN -0.236 7.986 8.230 -0.014 0.000 0.433 21 A N -1.522 121.369 122.820 0.118 0.000 1.940 21 A HA -0.356 nan 4.320 nan 0.000 0.219 21 A C 2.265 179.923 177.584 0.123 0.000 1.176 21 A CA 3.346 55.455 52.037 0.121 0.000 0.631 21 A CB -0.992 18.081 19.000 0.123 0.000 0.814 21 A HN 0.097 8.208 8.150 0.108 0.104 0.446 22 E N -2.594 117.669 120.200 0.106 0.000 2.106 22 E HA -0.252 nan 4.350 nan 0.000 0.192 22 E C 2.625 179.314 176.600 0.147 0.000 0.984 22 E CA 2.667 59.129 56.400 0.103 0.000 0.806 22 E CB -0.333 29.408 29.700 0.068 0.000 0.750 22 E HN -0.559 7.751 8.360 0.086 0.102 0.458 23 V N -0.732 119.288 119.914 0.176 0.000 2.427 23 V HA -0.242 nan 4.120 nan 0.000 0.248 23 V C 2.140 178.480 176.094 0.411 0.000 1.051 23 V CA 4.119 66.569 62.300 0.249 0.000 1.048 23 V CB -0.814 31.124 31.823 0.191 0.000 0.666 23 V HN -0.416 7.775 8.190 0.152 0.090 0.456 24 G N -1.764 107.259 108.800 0.371 0.000 2.422 24 G HA2 -0.312 nan 3.960 nan 0.000 0.218 24 G HA3 -0.312 nan 3.960 nan 0.000 0.218 24 G C 0.932 175.970 174.900 0.230 0.000 1.140 24 G CA 2.017 47.284 45.100 0.279 0.000 0.775 24 G HN 0.182 8.551 8.290 0.293 0.097 0.545 25 K N 1.217 121.729 120.400 0.187 0.000 2.155 25 K HA -0.220 nan 4.320 nan 0.000 0.203 25 K C 2.083 178.783 176.600 0.166 0.000 1.052 25 K CA 3.014 59.387 56.287 0.143 0.000 0.948 25 K CB -0.227 32.338 32.500 0.108 0.000 0.728 25 K HN -0.329 7.905 8.250 0.181 0.125 0.448 26 K N -0.161 120.376 120.400 0.228 0.000 2.097 26 K HA -0.234 nan 4.320 nan 0.000 0.205 26 K C 2.139 178.940 176.600 0.335 0.000 1.050 26 K CA 2.854 59.302 56.287 0.269 0.000 0.938 26 K CB -0.061 32.627 32.500 0.314 0.000 0.718 26 K HN -0.784 7.525 8.250 0.244 0.088 0.442 27 F N 0.362 120.378 119.950 0.110 0.000 2.113 27 F HA -0.356 nan 4.527 nan 0.000 0.297 27 F C 1.382 177.127 175.800 -0.091 0.000 1.103 27 F CA 3.371 61.234 58.000 -0.229 0.000 1.248 27 F CB 0.276 39.116 39.000 -0.268 0.000 0.999 27 F HN -0.380 8.189 8.300 0.448 0.000 0.475 28 E N -0.867 119.368 120.200 0.058 0.000 2.110 28 E HA -0.453 nan 4.350 nan 0.000 0.193 28 E C 2.423 178.989 176.600 -0.057 0.000 0.988 28 E CA 3.148 59.525 56.400 -0.039 0.000 0.804 28 E CB -0.308 29.413 29.700 0.036 0.000 0.745 28 E HN -0.088 8.392 8.360 0.200 0.000 0.458 29 K N -0.962 119.445 120.400 0.011 0.000 2.097 29 K HA -0.253 nan 4.320 nan 0.000 0.206 29 K C 1.511 178.107 176.600 -0.007 0.000 1.049 29 K CA 2.935 59.234 56.287 0.021 0.000 0.933 29 K CB -0.216 32.325 32.500 0.068 0.000 0.717 29 K HN -0.385 7.804 8.250 0.063 0.099 0.442 30 D N -2.878 117.509 120.400 -0.022 0.000 2.271 30 D HA 0.000 nan 4.640 nan 0.000 0.206 30 D C 1.404 177.617 176.300 -0.144 0.000 0.967 30 D CA 1.976 55.958 54.000 -0.030 0.000 0.867 30 D CB 0.708 41.568 40.800 0.099 0.000 0.960 30 D HN -0.343 7.902 8.370 -0.013 0.117 0.509 31 T N -8.561 105.815 114.554 -0.297 0.000 2.955 31 T HA 0.324 nan 4.350 nan 0.000 0.251 31 T C 1.621 176.190 174.700 -0.220 0.000 1.002 31 T CA -0.051 61.848 62.100 -0.336 0.000 0.970 31 T CB 2.134 70.592 68.868 -0.684 0.000 1.091 31 T HN -0.082 7.857 8.240 -0.331 0.103 0.495 32 G N 2.089 110.783 108.800 -0.177 0.000 2.225 32 G HA2 -0.368 nan 3.960 nan 0.000 0.254 32 G HA3 -0.368 nan 3.960 nan 0.000 0.254 32 G C -0.794 174.051 174.900 -0.092 0.000 0.988 32 G CA 0.294 45.333 45.100 -0.103 0.000 0.625 32 G HN 0.241 8.298 8.290 -0.186 0.121 0.527 33 I N 2.757 123.239 120.570 -0.146 0.000 2.416 33 I HA -0.174 nan 4.170 nan 0.000 0.288 33 I C -0.486 175.641 176.117 0.017 0.000 1.051 33 I CA -1.022 60.246 61.300 -0.054 0.000 1.375 33 I CB -0.373 37.621 38.000 -0.010 0.000 1.407 33 I HN -0.445 7.511 8.210 -0.269 0.092 0.516 34 K N 6.867 127.279 120.400 0.020 0.000 2.249 34 K HA 0.102 nan 4.320 nan 0.000 0.280 34 K C -1.490 175.120 176.600 0.016 0.000 1.033 34 K CA -0.329 55.973 56.287 0.025 0.000 0.946 34 K CB 0.798 33.304 32.500 0.010 0.000 1.005 34 K HN 0.200 8.454 8.250 0.007 0.000 0.469 35 V N 2.958 122.872 119.914 0.001 0.000 2.448 35 V HA 0.554 nan 4.120 nan 0.000 0.295 35 V C -0.426 175.641 176.094 -0.045 0.000 1.025 35 V CA -1.112 61.135 62.300 -0.088 0.000 0.859 35 V CB 1.599 33.293 31.823 -0.214 0.000 0.988 35 V HN 0.229 8.435 8.190 0.027 0.000 0.431 36 T N 9.672 124.202 114.554 -0.040 0.000 2.779 36 T HA 0.391 nan 4.350 nan 0.000 0.280 36 T C -1.663 173.060 174.700 0.038 0.000 0.987 36 T CA -0.646 61.461 62.100 0.012 0.000 0.966 36 T CB 1.437 70.320 68.868 0.025 0.000 0.933 36 T HN 0.890 8.982 8.240 -0.066 0.108 0.442 37 V N 5.463 125.420 119.914 0.071 0.000 2.384 37 V HA 0.553 nan 4.120 nan 0.000 0.287 37 V C -0.987 175.177 176.094 0.117 0.000 1.020 37 V CA -1.105 61.265 62.300 0.117 0.000 0.850 37 V CB 0.430 32.333 31.823 0.134 0.000 0.987 37 V HN 0.445 8.676 8.190 0.068 0.000 0.436 38 E N 5.925 126.215 120.200 0.151 0.000 2.277 38 E HA 0.531 nan 4.350 nan 0.000 0.266 38 E C -1.730 174.847 176.600 -0.039 0.000 0.901 38 E CA -2.356 54.046 56.400 0.004 0.000 0.782 38 E CB 4.706 34.441 29.700 0.059 0.000 1.228 38 E HN 0.789 9.295 8.360 0.244 0.000 0.424 39 H N -1.641 117.258 119.070 -0.285 0.000 2.448 39 H HA 0.450 nan 4.556 nan 0.000 0.237 39 H C -2.675 172.464 175.328 -0.315 0.000 1.391 39 H CA -4.030 51.848 56.048 -0.283 0.000 1.477 39 H CB -0.498 29.043 29.762 -0.368 0.000 1.520 39 H HN 0.115 7.932 8.280 -0.771 0.000 0.502 40 P HA -0.029 nan 4.420 nan 0.000 0.275 40 P C -0.696 176.426 177.300 -0.297 0.000 1.228 40 P CA -0.815 61.983 63.100 -0.505 0.000 0.786 40 P CB 0.599 31.777 31.700 -0.870 0.000 0.927 41 D N 1.525 121.796 120.400 -0.214 0.000 2.443 41 D HA -0.142 nan 4.640 nan 0.000 0.239 41 D C 0.555 176.778 176.300 -0.129 0.000 1.136 41 D CA 1.181 55.111 54.000 -0.116 0.000 0.879 41 D CB 0.391 41.137 40.800 -0.090 0.000 1.195 41 D HN 0.085 8.317 8.370 -0.229 0.000 0.443 42 K N -1.661 118.698 120.400 -0.067 0.000 3.012 42 K HA -0.439 nan 4.320 nan 0.000 0.259 42 K C 1.093 177.608 176.600 -0.142 0.000 0.989 42 K CA 1.003 57.242 56.287 -0.080 0.000 0.728 42 K CB -2.132 30.330 32.500 -0.064 0.000 1.260 42 K HN 0.725 8.965 8.250 -0.017 0.000 0.480 43 L N -4.404 116.711 121.223 -0.180 0.000 2.187 43 L HA -0.382 nan 4.340 nan 0.000 0.213 43 L C 0.707 177.524 176.870 -0.087 0.000 1.100 43 L CA 3.620 58.343 54.840 -0.195 0.000 0.765 43 L CB -0.779 41.166 42.059 -0.190 0.000 0.904 43 L HN -0.549 7.597 8.230 -0.125 0.009 0.437 44 E N -1.657 118.294 120.200 -0.416 0.000 2.347 44 E HA -0.305 nan 4.350 nan 0.000 0.196 44 E C 0.530 177.077 176.600 -0.088 0.000 1.008 44 E CA 2.541 58.638 56.400 -0.505 0.000 0.852 44 E CB -1.466 27.393 29.700 -1.402 0.000 0.783 44 E HN 0.149 8.157 8.360 -0.529 0.034 0.505 45 E N -1.508 118.651 120.200 -0.068 0.000 2.201 45 E HA 0.038 nan 4.350 nan 0.000 0.193 45 E C 2.055 178.677 176.600 0.038 0.000 0.957 45 E CA 1.009 57.410 56.400 0.002 0.000 0.858 45 E CB 0.447 30.131 29.700 -0.025 0.000 0.816 45 E HN -0.441 7.680 8.360 -0.122 0.166 0.475 46 K N 0.522 120.953 120.400 0.052 0.000 2.057 46 K HA -0.245 nan 4.320 nan 0.000 0.206 46 K C 2.042 178.754 176.600 0.186 0.000 1.050 46 K CA 3.055 59.406 56.287 0.107 0.000 0.935 46 K CB 0.085 32.638 32.500 0.088 0.000 0.715 46 K HN -0.420 7.836 8.250 0.010 0.000 0.439 47 F N 0.724 120.762 119.950 0.147 0.000 2.043 47 F HA -0.303 nan 4.527 nan 0.000 0.297 47 F C -1.909 173.750 175.800 -0.236 0.000 1.118 47 F CA 5.213 63.185 58.000 -0.047 0.000 1.202 47 F CB -2.295 36.558 39.000 -0.246 0.000 0.965 47 F HN 0.137 8.684 8.300 0.413 0.000 0.482 48 P HA -0.290 nan 4.420 nan 0.000 0.216 48 P C 1.889 179.015 177.300 -0.289 0.000 1.150 48 P CA 3.036 65.927 63.100 -0.348 0.000 0.837 48 P CB -0.667 31.015 31.700 -0.031 0.000 0.786 49 Q N -2.124 117.570 119.800 -0.178 0.000 1.990 49 Q HA -0.270 nan 4.340 nan 0.000 0.200 49 Q C 2.821 178.714 176.000 -0.178 0.000 0.980 49 Q CA 2.981 58.704 55.803 -0.133 0.000 0.832 49 Q CB -0.073 28.627 28.738 -0.064 0.000 0.897 49 Q HN -0.454 7.646 8.270 -0.117 0.100 0.427 50 V N -5.528 114.273 119.914 -0.188 0.000 2.515 50 V HA -0.200 nan 4.120 nan 0.000 0.250 50 V C 1.499 177.393 176.094 -0.334 0.000 1.058 50 V CA 3.050 65.232 62.300 -0.197 0.000 1.064 50 V CB -1.023 30.737 31.823 -0.105 0.000 0.675 50 V HN -0.240 7.863 8.190 -0.144 0.000 0.461 51 A N -0.940 121.535 122.820 -0.575 0.000 2.014 51 A HA -0.209 nan 4.320 nan 0.000 0.218 51 A C 1.932 179.273 177.584 -0.404 0.000 1.163 51 A CA 2.901 54.544 52.037 -0.656 0.000 0.652 51 A CB -0.979 17.263 19.000 -1.263 0.000 0.808 51 A HN 0.467 8.206 8.150 -0.684 0.000 0.449 52 A N -1.533 121.091 122.820 -0.327 0.000 1.972 52 A HA -0.165 nan 4.320 nan 0.000 0.219 52 A C 0.596 178.084 177.584 -0.160 0.000 1.169 52 A CA 2.647 54.558 52.037 -0.209 0.000 0.635 52 A CB -0.301 18.602 19.000 -0.162 0.000 0.810 52 A HN -0.205 7.610 8.150 -0.354 0.123 0.446 53 T N -6.533 107.925 114.554 -0.161 0.000 3.251 53 T HA 0.210 nan 4.350 nan 0.000 0.259 53 T C 0.807 175.432 174.700 -0.125 0.000 0.998 53 T CA -1.648 60.380 62.100 -0.121 0.000 0.905 53 T CB -0.676 68.133 68.868 -0.098 0.000 1.067 53 T HN -0.732 7.272 8.240 -0.189 0.122 0.569 54 G N 2.347 111.055 108.800 -0.153 0.000 2.187 54 G HA2 -0.436 nan 3.960 nan 0.000 0.261 54 G HA3 -0.436 nan 3.960 nan 0.000 0.261 54 G C -1.035 173.775 174.900 -0.149 0.000 1.000 54 G CA 1.125 46.140 45.100 -0.142 0.000 0.718 54 G HN -0.260 7.752 8.290 -0.177 0.173 0.519 55 D N 1.635 121.927 120.400 -0.179 0.000 2.589 55 D HA 0.279 nan 4.640 nan 0.000 0.268 55 D C -0.874 175.271 176.300 -0.259 0.000 1.182 55 D CA -0.437 53.460 54.000 -0.172 0.000 1.087 55 D CB 2.066 42.792 40.800 -0.124 0.000 1.186 55 D HN -0.166 8.033 8.370 -0.197 0.053 0.620 56 G N -2.077 106.563 108.800 -0.267 0.000 2.549 56 G HA2 -0.139 nan 3.960 nan 0.000 0.404 56 G HA3 -0.139 nan 3.960 nan 0.000 0.404 56 G C -3.064 171.524 174.900 -0.520 0.000 1.292 56 G CA -0.856 43.954 45.100 -0.483 0.000 0.935 56 G HN -0.150 8.032 8.290 -0.181 0.000 0.512 57 P HA 0.201 nan 4.420 nan 0.000 0.276 57 P C -1.471 175.653 177.300 -0.293 0.000 1.252 57 P CA -0.884 61.848 63.100 -0.614 0.000 0.802 57 P CB 1.222 32.334 31.700 -0.980 0.000 1.035 58 D N -1.809 118.474 120.400 -0.194 0.000 2.149 58 D HA -0.011 nan 4.640 nan 0.000 0.201 58 D C 0.301 176.542 176.300 -0.098 0.000 0.972 58 D CA 3.730 57.658 54.000 -0.120 0.000 0.835 58 D CB 1.194 41.935 40.800 -0.097 0.000 0.966 58 D HN -0.152 8.105 8.370 -0.188 0.000 0.476 59 I N -2.967 117.548 120.570 -0.091 0.000 2.498 59 I HA 0.530 nan 4.170 nan 0.000 0.290 59 I C -2.306 173.806 176.117 -0.009 0.000 1.032 59 I CA -0.844 60.428 61.300 -0.045 0.000 1.073 59 I CB 3.593 41.618 38.000 0.043 0.000 1.251 59 I HN -0.393 7.755 8.210 -0.104 0.000 0.426 60 I N 4.820 125.336 120.570 -0.090 0.000 2.509 60 I HA 0.753 nan 4.170 nan 0.000 0.293 60 I C -2.357 173.901 176.117 0.234 0.000 1.020 60 I CA -2.370 58.957 61.300 0.045 0.000 1.088 60 I CB 3.756 41.499 38.000 -0.429 0.000 1.267 60 I HN 0.411 8.513 8.210 -0.180 0.000 0.430 61 F N 7.791 127.961 119.950 0.367 0.000 2.427 61 F HA 0.700 nan 4.527 nan 0.000 0.346 61 F C -1.728 174.377 175.800 0.509 0.000 1.120 61 F CA -0.825 57.407 58.000 0.386 0.000 1.033 61 F CB 2.226 41.382 39.000 0.260 0.000 1.126 61 F HN 0.234 8.995 8.300 0.768 0.000 0.462 62 W N 2.866 124.293 121.300 0.211 0.000 2.989 62 W HA 0.129 nan 4.660 nan 0.000 0.344 62 W C -2.687 173.641 176.519 -0.318 0.000 1.233 62 W CA -0.107 57.240 57.345 0.003 0.000 1.187 62 W CB 3.664 33.209 29.460 0.142 0.000 1.443 62 W HN 0.548 8.899 8.180 0.284 0.000 0.573 63 A N 1.634 124.071 122.820 -0.638 0.000 2.498 63 A HA -0.029 nan 4.320 nan 0.000 0.239 63 A C 0.911 178.243 177.584 -0.420 0.000 1.068 63 A CA 1.341 53.127 52.037 -0.418 0.000 0.766 63 A CB 0.394 19.142 19.000 -0.419 0.000 1.003 63 A HN 0.398 7.683 8.150 -1.441 0.000 0.497 64 H N 0.210 119.053 119.070 -0.377 0.000 2.457 64 H HA -0.359 nan 4.556 nan 0.000 0.297 64 H C 1.057 176.288 175.328 -0.162 0.000 1.092 64 H CA 3.403 59.237 56.048 -0.357 0.000 1.309 64 H CB -0.451 29.222 29.762 -0.148 0.000 1.382 64 H HN 0.387 8.600 8.280 0.043 0.092 0.535 65 D N 0.056 119.960 120.400 -0.827 0.000 2.178 65 D HA -0.223 nan 4.640 nan 0.000 0.201 65 D C 1.836 178.013 176.300 -0.204 0.000 0.980 65 D CA 2.544 56.231 54.000 -0.521 0.000 0.842 65 D CB -0.985 39.542 40.800 -0.454 0.000 0.948 65 D HN 0.233 8.025 8.370 -0.900 0.039 0.472 66 R N -0.873 119.539 120.500 -0.147 0.000 2.189 66 R HA -0.129 nan 4.340 nan 0.000 0.223 66 R C 2.051 178.132 176.300 -0.364 0.000 1.092 66 R CA 1.354 57.323 56.100 -0.219 0.000 0.989 66 R CB -0.704 29.480 30.300 -0.193 0.000 0.876 66 R HN -0.665 7.533 8.270 -0.120 0.000 0.457 67 F N -1.948 117.776 119.950 -0.377 0.000 2.451 67 F HA -0.020 nan 4.527 nan 0.000 0.299 67 F C 1.664 177.325 175.800 -0.231 0.000 1.101 67 F CA -0.108 57.740 58.000 -0.254 0.000 1.436 67 F CB -0.975 38.032 39.000 0.011 0.000 1.074 67 F HN -0.627 7.559 8.300 0.055 0.147 0.553 68 G N -1.234 107.549 108.800 -0.028 0.000 2.402 68 G HA2 -0.329 nan 3.960 nan 0.000 0.216 68 G HA3 -0.329 nan 3.960 nan 0.000 0.216 68 G C 1.115 175.737 174.900 -0.463 0.000 1.162 68 G CA 2.103 47.075 45.100 -0.213 0.000 0.777 68 G HN -0.570 7.692 8.290 0.012 0.035 0.539 69 G N 0.484 109.155 108.800 -0.214 0.000 2.408 69 G HA2 -0.183 nan 3.960 nan 0.000 0.217 69 G HA3 -0.183 nan 3.960 nan 0.000 0.217 69 G C 1.355 176.239 174.900 -0.025 0.000 1.150 69 G CA 1.363 46.390 45.100 -0.122 0.000 0.776 69 G HN -0.688 7.491 8.290 -0.184 0.000 0.542 70 Y N 1.640 121.885 120.300 -0.092 0.000 2.145 70 Y HA -0.314 nan 4.550 nan 0.000 0.286 70 Y C 2.022 177.829 175.900 -0.156 0.000 1.145 70 Y CA 0.563 58.623 58.100 -0.068 0.000 1.148 70 Y CB -0.992 37.444 38.460 -0.040 0.000 0.981 70 Y HN -0.735 7.441 8.280 -0.174 0.000 0.507 71 A N -3.093 119.651 122.820 -0.127 0.000 2.067 71 A HA -0.249 nan 4.320 nan 0.000 0.219 71 A C 2.739 180.175 177.584 -0.246 0.000 1.158 71 A CA 2.588 54.483 52.037 -0.236 0.000 0.661 71 A CB -1.050 17.723 19.000 -0.378 0.000 0.801 71 A HN 0.024 8.059 8.150 -0.193 0.000 0.452 72 Q N 0.468 120.077 119.800 -0.319 0.000 2.119 72 Q HA -0.234 nan 4.340 nan 0.000 0.201 72 Q C 1.635 177.636 176.000 0.001 0.000 0.972 72 Q CA 2.465 58.226 55.803 -0.069 0.000 0.847 72 Q CB 0.172 28.898 28.738 -0.019 0.000 0.903 72 Q HN -0.179 7.704 8.270 -0.395 0.150 0.433 73 S N -2.133 113.558 115.700 -0.015 0.000 2.631 73 S HA 0.011 nan 4.470 nan 0.000 0.217 73 S C -0.452 174.133 174.600 -0.025 0.000 0.958 73 S CA -0.079 58.114 58.200 -0.011 0.000 0.920 73 S CB 0.396 63.587 63.200 -0.015 0.000 0.776 73 S HN -0.626 7.581 8.310 -0.024 0.089 0.517 74 G N 0.446 109.235 108.800 -0.019 0.000 2.221 74 G HA2 -0.336 nan 3.960 nan 0.000 0.265 74 G HA3 -0.336 nan 3.960 nan 0.000 0.265 74 G C 0.198 175.072 174.900 -0.043 0.000 1.041 74 G CA 0.952 46.041 45.100 -0.019 0.000 0.807 74 G HN -0.489 7.567 8.290 -0.020 0.221 0.502 75 L N -3.682 117.512 121.223 -0.048 0.000 2.509 75 L HA -0.031 nan 4.340 nan 0.000 0.222 75 L C -0.509 176.349 176.870 -0.019 0.000 1.123 75 L CA 0.324 55.113 54.840 -0.085 0.000 0.856 75 L CB 0.367 42.338 42.059 -0.146 0.000 0.985 75 L HN -0.159 8.055 8.230 -0.027 0.000 0.456 76 L N -2.968 118.246 121.223 -0.015 0.000 2.365 76 L HA 0.387 nan 4.340 nan 0.000 0.273 76 L C -1.038 175.822 176.870 -0.018 0.000 1.000 76 L CA -2.025 52.797 54.840 -0.030 0.000 0.819 76 L CB 2.435 44.446 42.059 -0.080 0.000 1.284 76 L HN -0.875 7.292 8.230 -0.017 0.053 0.418 77 A N 2.999 125.808 122.820 -0.017 0.000 2.388 77 A HA 0.134 nan 4.320 nan 0.000 0.257 77 A C -0.994 176.591 177.584 0.002 0.000 1.095 77 A CA -0.470 51.564 52.037 -0.005 0.000 0.791 77 A CB 0.950 19.949 19.000 -0.003 0.000 1.029 77 A HN 0.591 8.726 8.150 -0.025 0.000 0.489 78 E N 1.860 122.065 120.200 0.009 0.000 2.360 78 E HA 0.086 nan 4.350 nan 0.000 0.269 78 E C -0.432 176.160 176.600 -0.012 0.000 1.022 78 E CA -0.321 56.085 56.400 0.009 0.000 0.887 78 E CB 0.804 30.513 29.700 0.015 0.000 0.990 78 E HN 0.100 8.465 8.360 0.009 0.000 0.426 79 I N 0.763 121.306 120.570 -0.046 0.000 2.793 79 I HA 0.368 nan 4.170 nan 0.000 0.313 79 I C -0.858 175.207 176.117 -0.087 0.000 0.998 79 I CA -1.218 60.027 61.300 -0.091 0.000 1.140 79 I CB 1.868 39.695 38.000 -0.289 0.000 1.327 79 I HN 0.051 8.237 8.210 -0.040 0.000 0.491 80 T N -2.544 111.974 114.554 -0.060 0.000 3.658 80 T HA 0.477 nan 4.350 nan 0.000 0.245 80 T C -1.888 172.795 174.700 -0.028 0.000 1.292 80 T CA -3.176 58.895 62.100 -0.048 0.000 1.598 80 T CB -0.760 68.097 68.868 -0.018 0.000 0.861 80 T HN 0.355 8.579 8.240 -0.026 0.000 0.663 81 P HA 0.140 nan 4.420 nan 0.000 0.275 81 P C -1.019 176.293 177.300 0.021 0.000 1.227 81 P CA -0.803 62.325 63.100 0.046 0.000 0.781 81 P CB 0.697 32.522 31.700 0.208 0.000 0.906 82 D N 0.555 121.000 120.400 0.075 0.000 2.377 82 D HA -0.072 nan 4.640 nan 0.000 0.245 82 D C 1.156 177.481 176.300 0.041 0.000 1.196 82 D CA -1.046 52.981 54.000 0.044 0.000 0.962 82 D CB 0.781 41.614 40.800 0.054 0.000 1.127 82 D HN -0.041 8.391 8.370 0.104 0.000 0.471 83 K N -0.198 120.200 120.400 -0.002 0.000 2.152 83 K HA -0.331 nan 4.320 nan 0.000 0.206 83 K C 1.823 178.434 176.600 0.017 0.000 1.048 83 K CA 2.848 59.120 56.287 -0.025 0.000 0.933 83 K CB -0.369 32.115 32.500 -0.027 0.000 0.721 83 K HN 0.370 8.616 8.250 -0.006 0.000 0.447 84 A N -2.394 120.461 122.820 0.058 0.000 1.933 84 A HA -0.129 nan 4.320 nan 0.000 0.218 84 A C 2.151 179.801 177.584 0.110 0.000 1.175 84 A CA 2.575 54.654 52.037 0.071 0.000 0.628 84 A CB -1.045 18.002 19.000 0.079 0.000 0.814 84 A HN -0.072 8.151 8.150 0.059 -0.037 0.444 85 F N -0.779 119.201 119.950 0.050 0.000 2.234 85 F HA -0.302 nan 4.527 nan 0.000 0.296 85 F C 2.193 178.103 175.800 0.184 0.000 1.089 85 F CA 2.961 61.029 58.000 0.112 0.000 1.343 85 F CB 0.537 39.624 39.000 0.146 0.000 1.040 85 F HN -0.169 8.485 8.300 0.289 -0.181 0.498 86 Q N -0.600 119.274 119.800 0.124 0.000 2.181 86 Q HA -0.410 nan 4.340 nan 0.000 0.205 86 Q C 2.376 178.453 176.000 0.129 0.000 0.980 86 Q CA 3.318 59.150 55.803 0.048 0.000 0.862 86 Q CB -0.331 28.179 28.738 -0.379 0.000 0.905 86 Q HN -0.064 8.298 8.270 0.154 0.000 0.429 87 D N -0.517 119.889 120.400 0.009 0.000 2.350 87 D HA -0.120 nan 4.640 nan 0.000 0.216 87 D C 0.856 177.116 176.300 -0.067 0.000 0.968 87 D CA 2.597 56.596 54.000 -0.002 0.000 0.894 87 D CB -0.500 40.294 40.800 -0.010 0.000 0.909 87 D HN -0.304 8.044 8.370 -0.004 0.019 0.520 88 K N -1.921 118.385 120.400 -0.156 0.000 2.432 88 K HA -0.116 nan 4.320 nan 0.000 0.196 88 K C -0.530 175.903 176.600 -0.278 0.000 1.038 88 K CA 1.046 57.193 56.287 -0.233 0.000 0.986 88 K CB 0.545 32.845 32.500 -0.333 0.000 0.782 88 K HN -0.497 7.465 8.250 -0.196 0.170 0.485 89 L N -2.126 118.974 121.223 -0.205 0.000 2.322 89 L HA 0.378 nan 4.340 nan 0.000 0.269 89 L C -0.426 176.305 176.870 -0.232 0.000 1.012 89 L CA -1.848 52.825 54.840 -0.278 0.000 0.815 89 L CB 1.886 43.742 42.059 -0.338 0.000 1.295 89 L HN -0.733 7.415 8.230 -0.061 0.046 0.438 90 Y N 0.348 120.575 120.300 -0.121 0.000 2.632 90 Y HA -0.101 nan 4.550 nan 0.000 0.329 90 Y C -0.167 175.703 175.900 -0.049 0.000 1.174 90 Y CA 0.367 58.440 58.100 -0.044 0.000 1.469 90 Y CB -1.309 37.117 38.460 -0.056 0.000 1.242 90 Y HN -0.225 7.850 8.280 -0.341 0.000 0.540 91 P HA -0.329 nan 4.420 nan 0.000 0.217 91 P C 1.085 178.554 177.300 0.282 0.000 1.151 91 P CA 2.781 66.082 63.100 0.334 0.000 0.849 91 P CB -0.141 31.730 31.700 0.285 0.000 0.787 92 F N -5.673 114.374 119.950 0.161 0.000 2.365 92 F HA -0.039 nan 4.527 nan 0.000 0.300 92 F C 0.690 176.510 175.800 0.034 0.000 1.090 92 F CA 1.622 59.676 58.000 0.090 0.000 1.408 92 F CB -1.538 37.488 39.000 0.044 0.000 1.060 92 F HN -0.307 8.303 8.300 0.547 0.018 0.534 93 T N -2.060 112.038 114.554 -0.761 0.000 2.962 93 T HA -0.241 nan 4.350 nan 0.000 0.270 93 T C 1.371 175.841 174.700 -0.383 0.000 1.088 93 T CA 2.321 64.004 62.100 -0.695 0.000 1.127 93 T CB -0.882 67.523 68.868 -0.771 0.000 0.883 93 T HN -0.229 7.398 8.240 -0.799 0.133 0.493 94 W N 0.279 121.517 121.300 -0.104 0.000 2.467 94 W HA -0.151 nan 4.660 nan 0.000 0.275 94 W C 2.012 178.535 176.519 0.007 0.000 1.239 94 W CA 1.741 59.072 57.345 -0.025 0.000 1.266 94 W CB 0.021 29.486 29.460 0.007 0.000 1.112 94 W HN -0.568 7.468 8.180 -0.013 0.136 0.576 95 D N -0.951 119.575 120.400 0.210 0.000 2.219 95 D HA -0.204 nan 4.640 nan 0.000 0.205 95 D C 1.662 177.996 176.300 0.057 0.000 0.970 95 D CA 3.326 57.417 54.000 0.153 0.000 0.851 95 D CB -0.806 40.047 40.800 0.089 0.000 0.943 95 D HN -0.534 7.824 8.370 0.179 0.119 0.488 96 A N -2.441 120.352 122.820 -0.045 0.000 2.066 96 A HA 0.038 nan 4.320 nan 0.000 0.218 96 A C 0.993 178.610 177.584 0.054 0.000 1.157 96 A CA 2.168 54.099 52.037 -0.176 0.000 0.670 96 A CB 0.125 18.779 19.000 -0.576 0.000 0.804 96 A HN -0.526 7.444 8.150 -0.072 0.137 0.453 97 V N -9.255 110.739 119.914 0.133 0.000 3.121 97 V HA 0.328 nan 4.120 nan 0.000 0.344 97 V C -0.998 175.267 176.094 0.284 0.000 1.390 97 V CA -2.445 59.996 62.300 0.234 0.000 1.177 97 V CB -1.076 30.869 31.823 0.205 0.000 1.163 97 V HN -0.714 7.388 8.190 0.129 0.165 0.484 98 R N 0.554 121.223 120.500 0.282 0.000 2.312 98 R HA 0.482 nan 4.340 nan 0.000 0.311 98 R C -1.341 175.153 176.300 0.324 0.000 1.004 98 R CA -0.936 55.324 56.100 0.267 0.000 0.902 98 R CB 1.674 32.112 30.300 0.230 0.000 1.073 98 R HN -0.799 7.569 8.270 0.263 0.059 0.457 99 Y N 6.162 126.559 120.300 0.162 0.000 2.332 99 Y HA 0.021 nan 4.550 nan 0.000 0.326 99 Y C -1.205 174.760 175.900 0.109 0.000 0.978 99 Y CA -0.733 57.459 58.100 0.153 0.000 1.205 99 Y CB 2.388 40.932 38.460 0.141 0.000 1.131 99 Y HN 0.991 9.345 8.280 0.306 0.110 0.462 100 N N 9.481 127.995 118.700 -0.310 0.000 2.725 100 N HA -0.412 nan 4.740 nan 0.000 0.251 100 N C -0.063 175.416 175.510 -0.050 0.000 1.031 100 N CA 0.583 53.513 53.050 -0.200 0.000 0.720 100 N CB -1.052 37.314 38.487 -0.202 0.000 0.930 100 N HN 1.068 9.199 8.380 -0.415 0.000 0.543 101 G N -5.206 103.582 108.800 -0.019 0.000 2.184 101 G HA2 -0.583 nan 3.960 nan 0.000 0.264 101 G HA3 -0.583 nan 3.960 nan 0.000 0.264 101 G C -0.932 173.988 174.900 0.034 0.000 0.975 101 G CA 0.387 45.487 45.100 -0.000 0.000 0.642 101 G HN -0.132 8.148 8.290 -0.016 0.000 0.536 102 K N 1.174 121.619 120.400 0.075 0.000 2.206 102 K HA 0.315 nan 4.320 nan 0.000 0.264 102 K C -0.990 175.680 176.600 0.118 0.000 0.967 102 K CA -2.319 54.018 56.287 0.084 0.000 0.844 102 K CB 0.993 33.554 32.500 0.102 0.000 1.099 102 K HN -0.347 7.752 8.250 0.092 0.206 0.441 103 L N 3.151 124.419 121.223 0.075 0.000 2.418 103 L HA 0.195 nan 4.340 nan 0.000 0.274 103 L C 0.249 177.171 176.870 0.088 0.000 1.135 103 L CA 0.803 55.701 54.840 0.097 0.000 0.870 103 L CB -0.098 41.971 42.059 0.018 0.000 1.154 103 L HN 0.815 9.065 8.230 0.032 0.000 0.462 104 I N -2.512 118.145 120.570 0.145 0.000 4.081 104 I HA 0.387 nan 4.170 nan 0.000 0.333 104 I C -1.786 174.405 176.117 0.125 0.000 1.413 104 I CA -1.742 59.630 61.300 0.119 0.000 1.110 104 I CB 0.412 38.504 38.000 0.153 0.000 1.082 104 I HN 0.856 9.187 8.210 0.201 0.000 0.402 105 A N -2.692 120.212 122.820 0.139 0.000 2.586 105 A HA 0.235 nan 4.320 nan 0.000 0.291 105 A C -2.215 175.425 177.584 0.094 0.000 1.062 105 A CA -0.003 52.136 52.037 0.171 0.000 0.666 105 A CB 2.009 21.268 19.000 0.432 0.000 1.281 105 A HN -0.921 7.315 8.150 0.143 0.000 0.421 106 Y N -0.898 119.492 120.300 0.150 0.000 2.326 106 Y HA 0.272 nan 4.550 nan 0.000 0.337 106 Y C -1.746 174.101 175.900 -0.089 0.000 1.023 106 Y CA -2.037 56.108 58.100 0.074 0.000 1.143 106 Y CB 1.124 39.643 38.460 0.098 0.000 1.183 106 Y HN 0.432 8.808 8.280 0.336 0.105 0.485 107 P HA 0.247 nan 4.420 nan 0.000 0.276 107 P C -1.519 175.712 177.300 -0.115 0.000 1.235 107 P CA -0.065 62.899 63.100 -0.226 0.000 0.772 107 P CB 0.436 31.837 31.700 -0.499 0.000 0.871 108 I N 1.043 121.593 120.570 -0.034 0.000 3.345 108 I HA 0.183 nan 4.170 nan 0.000 0.258 108 I C -0.465 175.667 176.117 0.025 0.000 1.134 108 I CA 0.115 61.442 61.300 0.045 0.000 1.457 108 I CB 1.133 39.236 38.000 0.172 0.000 1.425 108 I HN 0.832 9.018 8.210 -0.040 0.000 0.461 109 A N -2.522 120.305 122.820 0.011 0.000 2.469 109 A HA 0.558 nan 4.320 nan 0.000 0.299 109 A C -2.283 175.291 177.584 -0.016 0.000 1.098 109 A CA -1.502 50.542 52.037 0.012 0.000 0.737 109 A CB 3.174 22.188 19.000 0.024 0.000 1.312 109 A HN -0.648 7.506 8.150 0.006 0.000 0.414 110 V N -0.432 119.485 119.914 0.006 0.000 2.540 110 V HA 0.536 nan 4.120 nan 0.000 0.302 110 V C -2.223 173.895 176.094 0.040 0.000 1.035 110 V CA -0.823 61.492 62.300 0.025 0.000 0.873 110 V CB 2.184 34.045 31.823 0.063 0.000 0.992 110 V HN 0.508 8.602 8.190 0.023 0.109 0.428 111 E N 6.056 126.288 120.200 0.053 0.000 2.210 111 E HA 0.492 nan 4.350 nan 0.000 0.266 111 E C -2.450 174.216 176.600 0.110 0.000 0.883 111 E CA -1.792 54.637 56.400 0.048 0.000 0.761 111 E CB 4.167 33.871 29.700 0.007 0.000 1.156 111 E HN 0.760 9.160 8.360 0.067 0.000 0.412 112 A N 3.151 126.028 122.820 0.096 0.000 2.612 112 A HA 0.393 nan 4.320 nan 0.000 0.293 112 A C -1.618 176.008 177.584 0.070 0.000 1.075 112 A CA -0.697 51.402 52.037 0.103 0.000 0.680 112 A CB 2.523 21.572 19.000 0.082 0.000 1.279 112 A HN 0.142 8.332 8.150 0.066 0.000 0.411 113 L N 0.310 121.542 121.223 0.015 0.000 2.439 113 L HA 0.017 nan 4.340 nan 0.000 0.269 113 L C -0.520 176.370 176.870 0.034 0.000 1.179 113 L CA 0.692 55.533 54.840 0.001 0.000 0.828 113 L CB 0.661 42.648 42.059 -0.121 0.000 1.106 113 L HN 0.412 8.623 8.230 -0.031 0.000 0.467 114 S N -0.604 115.142 115.700 0.078 0.000 2.667 114 S HA 0.531 nan 4.470 nan 0.000 0.292 114 S C -2.183 172.439 174.600 0.036 0.000 1.126 114 S CA -1.232 57.012 58.200 0.073 0.000 0.881 114 S CB 3.453 66.745 63.200 0.155 0.000 1.132 114 S HN 0.122 8.497 8.310 0.109 0.000 0.492 115 L N 2.518 123.742 121.223 0.002 0.000 2.315 115 L HA 0.392 nan 4.340 nan 0.000 0.283 115 L C -1.933 174.978 176.870 0.069 0.000 1.089 115 L CA -0.211 54.613 54.840 -0.028 0.000 0.833 115 L CB 0.887 42.888 42.059 -0.096 0.000 1.170 115 L HN 0.033 8.264 8.230 0.000 0.000 0.442 116 I N 7.597 128.171 120.570 0.005 0.000 2.377 116 I HA 0.582 nan 4.170 nan 0.000 0.293 116 I C -1.823 174.325 176.117 0.052 0.000 0.987 116 I CA -0.913 60.369 61.300 -0.029 0.000 1.185 116 I CB 0.905 38.736 38.000 -0.281 0.000 1.341 116 I HN 0.697 8.866 8.210 -0.068 0.000 0.455 117 Y N 4.580 124.960 120.300 0.134 0.000 2.576 117 Y HA 0.656 nan 4.550 nan 0.000 0.346 117 Y C -2.596 173.571 175.900 0.445 0.000 1.018 117 Y CA -3.541 54.741 58.100 0.304 0.000 1.050 117 Y CB 2.378 40.913 38.460 0.125 0.000 1.280 117 Y HN 0.710 8.989 8.280 -0.001 0.000 0.474 118 N N 1.253 120.182 118.700 0.383 0.000 2.415 118 N HA 0.095 nan 4.740 nan 0.000 0.246 118 N C 0.848 176.421 175.510 0.105 0.000 1.078 118 N CA -1.141 51.959 53.050 0.084 0.000 0.942 118 N CB 0.387 38.799 38.487 -0.125 0.000 1.140 118 N HN 0.368 9.035 8.380 0.479 0.000 0.501 119 K N 6.923 127.316 120.400 -0.012 0.000 2.211 119 K HA -0.347 nan 4.320 nan 0.000 0.204 119 K C 0.877 177.516 176.600 0.064 0.000 1.047 119 K CA 2.917 59.243 56.287 0.064 0.000 0.935 119 K CB -0.055 32.422 32.500 -0.039 0.000 0.728 119 K HN 0.686 8.871 8.250 -0.108 0.000 0.452 120 D N -1.896 118.515 120.400 0.018 0.000 2.123 120 D HA -0.144 nan 4.640 nan 0.000 0.200 120 D C 1.364 177.674 176.300 0.017 0.000 0.976 120 D CA 2.410 56.414 54.000 0.006 0.000 0.831 120 D CB -0.055 40.733 40.800 -0.020 0.000 0.974 120 D HN -0.435 8.095 8.370 -0.006 -0.163 0.469 121 L N -2.712 118.524 121.223 0.022 0.000 2.240 121 L HA -0.136 nan 4.340 nan 0.000 0.211 121 L C 0.430 177.331 176.870 0.052 0.000 1.106 121 L CA 1.484 56.340 54.840 0.026 0.000 0.793 121 L CB 1.039 43.106 42.059 0.014 0.000 0.927 121 L HN -0.886 7.551 8.230 0.013 -0.199 0.446 122 L N -2.676 118.606 121.223 0.098 0.000 2.404 122 L HA 0.334 nan 4.340 nan 0.000 0.272 122 L C -2.050 174.890 176.870 0.117 0.000 0.980 122 L CA -2.525 52.373 54.840 0.096 0.000 0.836 122 L CB 1.386 43.515 42.059 0.117 0.000 1.238 122 L HN -0.458 7.848 8.230 0.126 0.000 0.408 123 P HA -0.071 nan 4.420 nan 0.000 0.217 123 P C -1.058 176.262 177.300 0.032 0.000 1.154 123 P CA 1.105 64.236 63.100 0.052 0.000 0.841 123 P CB 0.537 32.246 31.700 0.016 0.000 0.788 124 N N -2.479 116.195 118.700 -0.044 0.000 2.410 124 N HA 0.230 nan 4.740 nan 0.000 0.287 124 N C -2.541 172.815 175.510 -0.256 0.000 1.044 124 N CA -1.970 50.996 53.050 -0.140 0.000 0.881 124 N CB 1.280 39.709 38.487 -0.097 0.000 1.405 124 N HN -0.355 8.002 8.380 -0.038 0.000 0.490 125 P HA 0.241 nan 4.420 nan 0.000 0.271 125 P C -2.614 174.497 177.300 -0.316 0.000 1.218 125 P CA -1.103 61.670 63.100 -0.545 0.000 0.780 125 P CB -0.311 30.807 31.700 -0.970 0.000 0.901 126 P HA 0.033 nan 4.420 nan 0.000 0.271 126 P C -1.058 176.114 177.300 -0.212 0.000 1.216 126 P CA -0.567 62.417 63.100 -0.192 0.000 0.776 126 P CB 0.946 32.543 31.700 -0.171 0.000 0.881 127 K N -0.819 119.484 120.400 -0.162 0.000 2.379 127 K HA 0.191 nan 4.320 nan 0.000 0.194 127 K C -0.268 176.247 176.600 -0.141 0.000 1.031 127 K CA -0.360 55.838 56.287 -0.149 0.000 1.037 127 K CB 0.597 33.032 32.500 -0.108 0.000 0.824 127 K HN 0.549 8.832 8.250 -0.131 -0.111 0.516 128 T N -5.637 108.838 114.554 -0.131 0.000 2.906 128 T HA 0.504 nan 4.350 nan 0.000 0.295 128 T C -0.004 174.645 174.700 -0.086 0.000 1.075 128 T CA -2.016 60.036 62.100 -0.079 0.000 1.005 128 T CB 2.177 71.034 68.868 -0.019 0.000 1.136 128 T HN -0.930 7.321 8.240 -0.128 -0.088 0.498 129 W N 1.474 122.732 121.300 -0.069 0.000 2.418 129 W HA -0.094 nan 4.660 nan 0.000 0.292 129 W C 1.875 178.426 176.519 0.054 0.000 1.213 129 W CA 3.611 60.907 57.345 -0.082 0.000 1.283 129 W CB 0.518 29.779 29.460 -0.332 0.000 1.119 129 W HN 0.807 9.120 8.180 0.221 0.000 0.542 130 E N -2.279 118.065 120.200 0.240 0.000 2.209 130 E HA -0.423 nan 4.350 nan 0.000 0.196 130 E C 1.355 178.121 176.600 0.276 0.000 0.993 130 E CA 3.542 60.147 56.400 0.342 0.000 0.819 130 E CB -0.721 29.082 29.700 0.172 0.000 0.745 130 E HN 0.363 8.818 8.360 0.158 0.000 0.477 131 E N -3.172 117.118 120.200 0.150 0.000 2.489 131 E HA -0.066 nan 4.350 nan 0.000 0.193 131 E C 1.269 177.903 176.600 0.058 0.000 1.057 131 E CA 0.560 57.005 56.400 0.076 0.000 0.866 131 E CB -0.154 29.557 29.700 0.018 0.000 0.916 131 E HN -0.680 7.720 8.360 0.114 0.028 0.500 132 I N 1.839 122.479 120.570 0.116 0.000 2.286 132 I HA -0.229 nan 4.170 nan 0.000 0.245 132 I C -1.026 175.059 176.117 -0.054 0.000 1.104 132 I CA 5.341 66.679 61.300 0.062 0.000 1.397 132 I CB -2.165 35.929 38.000 0.156 0.000 1.072 132 I HN -0.178 7.976 8.210 0.224 0.190 0.417 133 P HA -0.263 nan 4.420 nan 0.000 0.215 133 P C 0.576 177.696 177.300 -0.301 0.000 1.157 133 P CA 3.546 66.322 63.100 -0.541 0.000 0.874 133 P CB -0.776 30.747 31.700 -0.295 0.000 0.790 134 A N -3.451 119.316 122.820 -0.088 0.000 1.898 134 A HA -0.186 nan 4.320 nan 0.000 0.216 134 A C 2.009 179.582 177.584 -0.018 0.000 1.181 134 A CA 2.740 54.763 52.037 -0.022 0.000 0.620 134 A CB -0.724 18.279 19.000 0.006 0.000 0.819 134 A HN -0.148 7.976 8.150 -0.044 0.000 0.442 135 L N -1.761 119.447 121.223 -0.026 0.000 2.083 135 L HA -0.360 nan 4.340 nan 0.000 0.209 135 L C 1.417 178.287 176.870 -0.000 0.000 1.083 135 L CA 2.661 57.494 54.840 -0.012 0.000 0.752 135 L CB -0.332 41.717 42.059 -0.017 0.000 0.899 135 L HN -0.472 7.740 8.230 -0.030 0.000 0.433 136 D N -1.305 119.083 120.400 -0.020 0.000 2.144 136 D HA -0.332 nan 4.640 nan 0.000 0.200 136 D C 2.167 178.513 176.300 0.077 0.000 0.978 136 D CA 3.439 57.461 54.000 0.036 0.000 0.833 136 D CB -0.082 40.745 40.800 0.045 0.000 0.961 136 D HN -0.061 8.163 8.370 -0.078 0.100 0.470 137 K N -0.904 119.539 120.400 0.073 0.000 2.032 137 K HA -0.387 nan 4.320 nan 0.000 0.209 137 K C 2.586 179.216 176.600 0.051 0.000 1.048 137 K CA 3.572 59.909 56.287 0.084 0.000 0.927 137 K CB -0.023 32.526 32.500 0.082 0.000 0.712 137 K HN -0.606 7.573 8.250 0.031 0.090 0.441 138 E N -1.192 119.028 120.200 0.034 0.000 2.077 138 E HA -0.305 nan 4.350 nan 0.000 0.193 138 E C 2.078 178.693 176.600 0.026 0.000 0.989 138 E CA 2.638 59.053 56.400 0.024 0.000 0.800 138 E CB -0.097 29.613 29.700 0.016 0.000 0.746 138 E HN -0.612 7.765 8.360 0.028 0.000 0.452 139 L N -3.228 118.014 121.223 0.031 0.000 2.240 139 L HA -0.152 nan 4.340 nan 0.000 0.211 139 L C 1.903 178.793 176.870 0.033 0.000 1.106 139 L CA 2.232 57.091 54.840 0.031 0.000 0.793 139 L CB 0.084 42.164 42.059 0.036 0.000 0.927 139 L HN -0.395 7.759 8.230 0.034 0.096 0.446 140 K N -0.729 119.697 120.400 0.044 0.000 2.148 140 K HA -0.269 nan 4.320 nan 0.000 0.204 140 K C 2.585 179.202 176.600 0.028 0.000 1.050 140 K CA 2.516 58.828 56.287 0.041 0.000 0.942 140 K CB -0.829 31.704 32.500 0.055 0.000 0.724 140 K HN 0.317 8.598 8.250 0.052 0.000 0.446 141 A N -1.371 121.465 122.820 0.026 0.000 2.131 141 A HA -0.130 nan 4.320 nan 0.000 0.220 141 A C 0.781 178.373 177.584 0.013 0.000 1.158 141 A CA 2.530 54.578 52.037 0.018 0.000 0.665 141 A CB -0.609 18.401 19.000 0.018 0.000 0.795 141 A HN -0.404 7.748 8.150 0.031 0.016 0.460 142 K N -3.621 116.788 120.400 0.014 0.000 2.506 142 K HA 0.107 nan 4.320 nan 0.000 0.204 142 K C -0.421 176.183 176.600 0.008 0.000 1.045 142 K CA -0.881 55.411 56.287 0.009 0.000 1.074 142 K CB 0.314 32.818 32.500 0.007 0.000 0.842 142 K HN -0.574 7.496 8.250 0.018 0.191 0.514 143 G N -0.814 107.993 108.800 0.011 0.000 2.143 143 G HA2 -0.439 nan 3.960 nan 0.000 0.249 143 G HA3 -0.439 nan 3.960 nan 0.000 0.249 143 G C -0.509 174.398 174.900 0.011 0.000 0.981 143 G CA 0.568 45.673 45.100 0.009 0.000 0.665 143 G HN -0.060 8.109 8.290 0.014 0.130 0.528 144 K N -0.040 120.370 120.400 0.017 0.000 2.295 144 K HA 0.728 nan 4.320 nan 0.000 0.239 144 K C -1.300 175.322 176.600 0.038 0.000 0.991 144 K CA -2.425 53.874 56.287 0.020 0.000 0.845 144 K CB 3.178 35.686 32.500 0.014 0.000 1.197 144 K HN -0.283 7.935 8.250 0.019 0.043 0.441 145 S N -1.518 114.212 115.700 0.049 0.000 2.664 145 S HA 0.560 nan 4.470 nan 0.000 0.304 145 S C 0.166 174.816 174.600 0.084 0.000 1.099 145 S CA -1.950 56.294 58.200 0.073 0.000 1.003 145 S CB 3.613 66.861 63.200 0.081 0.000 1.092 145 S HN -0.123 8.213 8.310 0.044 0.000 0.525 146 A N 0.263 123.139 122.820 0.094 0.000 1.878 146 A HA 0.118 nan 4.320 nan 0.000 0.213 146 A C -1.708 175.950 177.584 0.123 0.000 1.192 146 A CA 2.668 54.758 52.037 0.088 0.000 0.619 146 A CB 0.568 19.603 19.000 0.059 0.000 0.837 146 A HN 0.637 9.155 8.150 0.103 -0.307 0.446 147 L N -5.367 115.950 121.223 0.156 0.000 2.493 147 L HA 0.348 nan 4.340 nan 0.000 0.265 147 L C -1.842 175.173 176.870 0.243 0.000 0.954 147 L CA 0.290 55.256 54.840 0.211 0.000 0.844 147 L CB 3.073 45.273 42.059 0.234 0.000 1.302 147 L HN -0.558 7.763 8.230 0.152 0.000 0.405 148 M N 6.527 126.280 119.600 0.255 0.000 2.213 148 M HA 0.333 nan 4.480 nan 0.000 0.286 148 M C -2.035 174.415 176.300 0.249 0.000 1.008 148 M CA -0.220 55.193 55.300 0.189 0.000 0.937 148 M CB 3.175 35.839 32.600 0.107 0.000 1.600 148 M HN 0.247 8.692 8.290 0.257 0.000 0.450 149 F N -1.047 118.916 119.950 0.022 0.000 2.685 149 F HA 0.274 nan 4.527 nan 0.000 0.315 149 F C -2.566 173.175 175.800 -0.098 0.000 1.126 149 F CA -2.542 55.436 58.000 -0.036 0.000 0.950 149 F CB 2.211 41.266 39.000 0.091 0.000 1.360 149 F HN -0.283 7.954 8.300 -0.104 0.000 0.469 150 N N -0.153 118.408 118.700 -0.232 0.000 2.427 150 N HA -0.112 nan 4.740 nan 0.000 0.269 150 N C 0.172 175.559 175.510 -0.205 0.000 1.235 150 N CA 0.297 53.120 53.050 -0.379 0.000 0.934 150 N CB -0.391 37.599 38.487 -0.828 0.000 1.121 150 N HN 0.347 8.590 8.380 -0.229 0.000 0.480 151 L N 4.578 125.659 121.223 -0.237 0.000 2.585 151 L HA 0.105 nan 4.340 nan 0.000 0.226 151 L C 0.750 177.618 176.870 -0.004 0.000 1.113 151 L CA 0.669 55.413 54.840 -0.159 0.000 0.876 151 L CB -0.038 41.876 42.059 -0.242 0.000 1.072 151 L HN 0.037 8.123 8.230 -0.239 0.000 0.468 152 Q N -3.377 116.429 119.800 0.009 0.000 2.331 152 Q HA -0.144 nan 4.340 nan 0.000 0.203 152 Q C 0.075 176.149 176.000 0.122 0.000 0.944 152 Q CA 0.665 56.495 55.803 0.045 0.000 0.892 152 Q CB 0.384 29.135 28.738 0.022 0.000 0.983 152 Q HN -0.683 7.754 8.270 -0.034 -0.187 0.482 153 E N -2.409 117.927 120.200 0.228 0.000 2.145 153 E HA 0.443 nan 4.350 nan 0.000 0.270 153 E C -1.182 175.700 176.600 0.471 0.000 0.906 153 E CA -3.677 52.932 56.400 0.347 0.000 0.761 153 E CB 0.720 30.702 29.700 0.470 0.000 1.116 153 E HN -0.753 7.701 8.360 0.225 0.040 0.408 154 P HA -0.127 nan 4.420 nan 0.000 0.223 154 P C 0.271 178.002 177.300 0.719 0.000 1.144 154 P CA 1.728 65.154 63.100 0.542 0.000 0.783 154 P CB -0.052 31.953 31.700 0.509 0.000 0.771 155 Y N -0.516 120.121 120.300 0.562 0.000 2.207 155 Y HA -0.377 nan 4.550 nan 0.000 0.287 155 Y C 0.679 176.735 175.900 0.260 0.000 1.156 155 Y CA 3.182 61.554 58.100 0.454 0.000 1.182 155 Y CB -0.246 38.258 38.460 0.072 0.000 0.979 155 Y HN -0.112 8.520 8.280 0.653 0.039 0.521 156 F N -5.670 114.496 119.950 0.359 0.000 2.335 156 F HA -0.143 nan 4.527 nan 0.000 0.296 156 F C 1.112 177.126 175.800 0.357 0.000 1.091 156 F CA 2.835 61.021 58.000 0.311 0.000 1.399 156 F CB 0.723 40.007 39.000 0.473 0.000 1.067 156 F HN -0.518 8.122 8.300 0.756 0.114 0.520 157 T N -4.948 109.936 114.554 0.550 0.000 3.057 157 T HA 0.068 nan 4.350 nan 0.000 0.254 157 T C 1.418 176.254 174.700 0.226 0.000 1.094 157 T CA 0.816 63.166 62.100 0.415 0.000 1.088 157 T CB 0.271 69.336 68.868 0.330 0.000 0.934 157 T HN -0.701 7.787 8.240 0.561 0.088 0.497 158 W N 3.375 124.728 121.300 0.088 0.000 2.321 158 W HA -0.179 nan 4.660 nan 0.000 0.306 158 W C -1.742 174.679 176.519 -0.162 0.000 1.217 158 W CA 4.001 61.326 57.345 -0.034 0.000 1.257 158 W CB -1.843 27.593 29.460 -0.040 0.000 1.145 158 W HN 0.123 8.611 8.180 0.514 0.000 0.509 159 P HA -0.322 nan 4.420 nan 0.000 0.216 159 P C 1.440 178.548 177.300 -0.319 0.000 1.150 159 P CA 3.121 66.084 63.100 -0.229 0.000 0.843 159 P CB -0.580 31.073 31.700 -0.079 0.000 0.787 160 L N -2.608 118.384 121.223 -0.385 0.000 2.095 160 L HA -0.146 nan 4.340 nan 0.000 0.204 160 L C 1.351 177.814 176.870 -0.678 0.000 1.080 160 L CA 2.717 57.146 54.840 -0.684 0.000 0.759 160 L CB -0.050 41.397 42.059 -1.019 0.000 0.914 160 L HN -0.808 7.242 8.230 -0.277 0.014 0.439 161 I N -2.050 118.160 120.570 -0.601 0.000 2.286 161 I HA -0.557 nan 4.170 nan 0.000 0.248 161 I C 1.890 177.565 176.117 -0.737 0.000 1.115 161 I CA 3.814 64.749 61.300 -0.607 0.000 1.392 161 I CB -0.126 37.569 38.000 -0.509 0.000 1.065 161 I HN -0.742 7.172 8.210 -0.494 0.000 0.418 162 A N -2.722 119.488 122.820 -1.016 0.000 2.072 162 A HA -0.080 nan 4.320 nan 0.000 0.216 162 A C 1.709 179.067 177.584 -0.376 0.000 1.156 162 A CA 1.952 53.486 52.037 -0.838 0.000 0.701 162 A CB -0.871 17.477 19.000 -1.087 0.000 0.816 162 A HN 0.310 7.778 8.150 -1.107 0.017 0.458 163 A N -0.150 122.482 122.820 -0.313 0.000 1.940 163 A HA -0.337 nan 4.320 nan 0.000 0.221 163 A C 0.482 178.053 177.584 -0.022 0.000 1.190 163 A CA 3.154 55.124 52.037 -0.112 0.000 0.647 163 A CB -0.714 18.269 19.000 -0.027 0.000 0.821 163 A HN -0.270 7.483 8.150 -0.425 0.141 0.457 164 D N -4.275 116.136 120.400 0.019 0.000 2.358 164 D HA 0.052 nan 4.640 nan 0.000 0.224 164 D C 0.311 176.615 176.300 0.006 0.000 1.123 164 D CA -1.418 52.603 54.000 0.035 0.000 0.833 164 D CB 0.262 41.127 40.800 0.108 0.000 0.946 164 D HN -0.018 8.328 8.370 -0.018 0.014 0.505 165 G N -2.131 106.665 108.800 -0.007 0.000 2.370 165 G HA2 -0.094 nan 3.960 nan 0.000 0.174 165 G HA3 -0.094 nan 3.960 nan 0.000 0.174 165 G C 0.050 175.002 174.900 0.087 0.000 1.002 165 G CA -0.550 44.586 45.100 0.060 0.000 0.730 165 G HN -0.105 7.976 8.290 -0.048 0.179 0.497 166 G N 0.972 109.737 108.800 -0.059 0.000 2.527 166 G HA2 0.096 nan 3.960 nan 0.000 0.248 166 G HA3 0.096 nan 3.960 nan 0.000 0.248 166 G C -1.854 173.144 174.900 0.163 0.000 1.231 166 G CA -0.206 44.826 45.100 -0.112 0.000 0.838 166 G HN -0.661 7.458 8.290 -0.143 0.086 0.570 167 Y N -4.718 115.785 120.300 0.339 0.000 2.604 167 Y HA 0.221 nan 4.550 nan 0.000 0.331 167 Y C -1.461 174.676 175.900 0.395 0.000 1.158 167 Y CA -1.607 56.764 58.100 0.452 0.000 1.056 167 Y CB 0.978 39.587 38.460 0.248 0.000 1.330 167 Y HN -0.117 7.957 8.280 -0.133 0.127 0.457 168 A N 1.244 124.242 122.820 0.297 0.000 1.823 168 A HA 0.021 nan 4.320 nan 0.000 0.214 168 A C -0.996 176.373 177.584 -0.359 0.000 1.225 168 A CA 2.359 54.158 52.037 -0.397 0.000 0.604 168 A CB 0.752 19.155 19.000 -0.995 0.000 0.878 168 A HN 0.540 9.288 8.150 0.408 -0.352 0.450 169 F N -5.267 114.818 119.950 0.224 0.000 2.565 169 F HA 0.195 nan 4.527 nan 0.000 0.313 169 F C -1.299 174.797 175.800 0.493 0.000 1.091 169 F CA -1.256 56.954 58.000 0.350 0.000 0.915 169 F CB 3.768 42.864 39.000 0.159 0.000 1.208 169 F HN -0.692 7.801 8.300 0.322 0.000 0.453 170 K N 2.364 123.096 120.400 0.552 0.000 2.451 170 K HA -0.030 nan 4.320 nan 0.000 0.280 170 K C -1.704 175.063 176.600 0.278 0.000 1.020 170 K CA -0.596 55.818 56.287 0.211 0.000 1.008 170 K CB 1.082 33.641 32.500 0.098 0.000 0.917 170 K HN 0.394 8.999 8.250 0.592 0.000 0.478 171 Y N 4.942 125.218 120.300 -0.040 0.000 2.364 171 Y HA 0.517 nan 4.550 nan 0.000 0.340 171 Y C -0.827 174.963 175.900 -0.185 0.000 0.975 171 Y CA -1.540 56.402 58.100 -0.264 0.000 1.089 171 Y CB 2.443 40.670 38.460 -0.388 0.000 1.192 171 Y HN -0.007 8.353 8.280 0.133 0.000 0.454 172 E N 7.602 127.380 120.200 -0.702 0.000 2.317 172 E HA 0.222 nan 4.350 nan 0.000 0.270 172 E C -1.075 175.159 176.600 -0.609 0.000 0.899 172 E CA -0.440 55.653 56.400 -0.512 0.000 0.814 172 E CB 2.596 32.147 29.700 -0.249 0.000 1.296 172 E HN 0.816 8.562 8.360 -0.843 0.108 0.404 173 N N 5.875 124.246 118.700 -0.549 0.000 2.610 173 N HA -0.234 nan 4.740 nan 0.000 0.271 173 N C 0.415 175.666 175.510 -0.433 0.000 1.146 173 N CA 0.137 52.967 53.050 -0.366 0.000 0.711 173 N CB -0.537 37.822 38.487 -0.213 0.000 0.883 173 N HN 0.508 8.608 8.380 -0.467 0.000 0.548 174 G N -3.549 104.942 108.800 -0.515 0.000 2.244 174 G HA2 -0.544 nan 3.960 nan 0.000 0.274 174 G HA3 -0.544 nan 3.960 nan 0.000 0.274 174 G C -1.881 172.876 174.900 -0.238 0.000 1.002 174 G CA 0.597 45.596 45.100 -0.170 0.000 0.740 174 G HN 0.480 8.423 8.290 -0.578 0.000 0.516 175 K N -2.272 117.767 120.400 -0.603 0.000 2.501 175 K HA 0.368 nan 4.320 nan 0.000 0.252 175 K C -2.061 174.315 176.600 -0.374 0.000 0.934 175 K CA -1.298 54.790 56.287 -0.331 0.000 0.797 175 K CB 3.458 35.826 32.500 -0.220 0.000 1.270 175 K HN -1.014 6.447 8.250 -1.058 0.154 0.431 176 Y N 0.792 121.110 120.300 0.029 0.000 2.334 176 Y HA 0.294 nan 4.550 nan 0.000 0.328 176 Y C -0.511 175.405 175.900 0.027 0.000 1.130 176 Y CA -0.686 57.468 58.100 0.091 0.000 1.163 176 Y CB 1.623 40.121 38.460 0.063 0.000 1.207 176 Y HN 0.235 8.603 8.280 0.147 0.000 0.471 177 D N 3.023 123.570 120.400 0.246 0.000 2.396 177 D HA 0.183 nan 4.640 nan 0.000 0.225 177 D C 1.052 177.524 176.300 0.287 0.000 1.121 177 D CA -1.778 52.337 54.000 0.191 0.000 0.853 177 D CB 0.432 41.326 40.800 0.156 0.000 1.043 177 D HN 0.327 8.875 8.370 0.296 0.000 0.500 178 I N -0.023 120.658 120.570 0.184 0.000 3.176 178 I HA -0.035 nan 4.170 nan 0.000 0.275 178 I C 0.441 176.758 176.117 0.332 0.000 1.298 178 I CA 1.591 63.027 61.300 0.227 0.000 1.445 178 I CB -0.011 37.995 38.000 0.010 0.000 1.075 178 I HN 0.100 8.374 8.210 0.107 0.000 0.482 179 K N -2.469 118.076 120.400 0.242 0.000 2.353 179 K HA 0.169 nan 4.320 nan 0.000 0.195 179 K C -0.795 175.928 176.600 0.205 0.000 1.031 179 K CA -0.803 55.601 56.287 0.195 0.000 1.079 179 K CB 0.489 33.067 32.500 0.130 0.000 0.857 179 K HN -0.297 8.296 8.250 0.205 -0.220 0.535 180 D N 1.811 122.373 120.400 0.270 0.000 2.473 180 D HA 0.154 nan 4.640 nan 0.000 0.226 180 D C -2.359 174.164 176.300 0.372 0.000 1.089 180 D CA -0.785 53.389 54.000 0.290 0.000 0.883 180 D CB 0.464 41.431 40.800 0.279 0.000 1.029 180 D HN -0.514 7.963 8.370 0.314 0.082 0.517 181 V N 3.842 123.867 119.914 0.184 0.000 2.513 181 V HA 0.517 nan 4.120 nan 0.000 0.299 181 V C -0.288 175.632 176.094 -0.290 0.000 1.035 181 V CA -1.793 60.480 62.300 -0.046 0.000 0.889 181 V CB 2.905 34.651 31.823 -0.128 0.000 0.988 181 V HN -0.244 8.031 8.190 0.142 0.000 0.440 182 G N 4.945 113.264 108.800 -0.800 0.000 4.637 182 G HA2 0.400 nan 3.960 nan 0.000 0.308 182 G HA3 0.400 nan 3.960 nan 0.000 0.308 182 G C -0.608 174.084 174.900 -0.347 0.000 1.377 182 G CA -0.228 44.238 45.100 -1.058 0.000 1.176 182 G HN 0.118 8.018 8.290 -0.650 0.000 0.601 183 V N 1.289 121.120 119.914 -0.138 0.000 3.125 183 V HA -0.021 nan 4.120 nan 0.000 0.249 183 V C -0.581 175.492 176.094 -0.034 0.000 1.113 183 V CA 2.369 64.675 62.300 0.010 0.000 1.106 183 V CB 0.390 32.209 31.823 -0.008 0.000 0.768 183 V HN -0.215 8.040 8.190 -0.166 -0.164 0.468 184 D N -2.317 118.048 120.400 -0.060 0.000 2.593 184 D HA 0.024 nan 4.640 nan 0.000 0.241 184 D C -0.874 175.403 176.300 -0.038 0.000 1.257 184 D CA -0.634 53.341 54.000 -0.041 0.000 0.828 184 D CB -0.531 40.252 40.800 -0.028 0.000 1.049 184 D HN -0.456 8.029 8.370 -0.082 -0.164 0.490 185 N N -1.796 116.871 118.700 -0.056 0.000 2.366 185 N HA -0.043 nan 4.740 nan 0.000 0.277 185 N C 1.177 176.677 175.510 -0.018 0.000 1.275 185 N CA -1.297 51.735 53.050 -0.029 0.000 0.964 185 N CB 0.846 39.318 38.487 -0.025 0.000 1.167 185 N HN -0.830 7.443 8.380 -0.087 0.055 0.568 186 A N -1.871 120.950 122.820 0.001 0.000 1.933 186 A HA -0.185 nan 4.320 nan 0.000 0.218 186 A C 2.101 179.690 177.584 0.008 0.000 1.175 186 A CA 3.350 55.392 52.037 0.007 0.000 0.628 186 A CB -0.527 18.481 19.000 0.014 0.000 0.814 186 A HN 0.492 8.648 8.150 0.010 0.000 0.444 187 G N -1.609 107.193 108.800 0.003 0.000 2.402 187 G HA2 -0.319 nan 3.960 nan 0.000 0.216 187 G HA3 -0.319 nan 3.960 nan 0.000 0.216 187 G C 0.968 175.843 174.900 -0.042 0.000 1.162 187 G CA 1.250 46.351 45.100 0.002 0.000 0.777 187 G HN -0.091 8.272 8.290 0.006 -0.070 0.539 188 A N 1.573 124.342 122.820 -0.086 0.000 1.930 188 A HA -0.179 nan 4.320 nan 0.000 0.217 188 A C 2.067 179.592 177.584 -0.097 0.000 1.175 188 A CA 2.811 54.763 52.037 -0.142 0.000 0.627 188 A CB -0.687 18.241 19.000 -0.121 0.000 0.815 188 A HN 0.001 8.425 8.150 -0.069 -0.315 0.443 189 K N -1.258 119.115 120.400 -0.046 0.000 2.057 189 K HA -0.325 nan 4.320 nan 0.000 0.206 189 K C 2.210 178.810 176.600 0.000 0.000 1.050 189 K CA 3.094 59.367 56.287 -0.024 0.000 0.935 189 K CB -0.063 32.433 32.500 -0.007 0.000 0.715 189 K HN -0.308 7.920 8.250 -0.037 0.000 0.439 190 A N -1.112 121.734 122.820 0.044 0.000 1.865 190 A HA -0.228 nan 4.320 nan 0.000 0.217 190 A C 2.197 179.842 177.584 0.102 0.000 1.191 190 A CA 3.185 55.314 52.037 0.155 0.000 0.623 190 A CB -0.866 18.277 19.000 0.238 0.000 0.826 190 A HN -0.035 8.135 8.150 0.033 0.000 0.444 191 G N -1.979 106.759 108.800 -0.104 0.000 2.418 191 G HA2 -0.261 nan 3.960 nan 0.000 0.217 191 G HA3 -0.261 nan 3.960 nan 0.000 0.217 191 G C 1.154 175.833 174.900 -0.368 0.000 1.158 191 G CA 1.717 46.496 45.100 -0.535 0.000 0.771 191 G HN -0.355 7.907 8.290 -0.046 0.000 0.545 192 L N 0.228 121.329 121.223 -0.203 0.000 2.156 192 L HA -0.127 nan 4.340 nan 0.000 0.208 192 L C 1.951 178.774 176.870 -0.079 0.000 1.095 192 L CA 2.727 57.488 54.840 -0.132 0.000 0.770 192 L CB -0.123 41.885 42.059 -0.085 0.000 0.914 192 L HN -0.213 7.914 8.230 -0.171 0.000 0.439 193 T N 3.033 117.563 114.554 -0.039 0.000 2.746 193 T HA -0.365 nan 4.350 nan 0.000 0.267 193 T C 1.648 176.349 174.700 0.002 0.000 1.039 193 T CA 5.256 67.355 62.100 -0.002 0.000 1.142 193 T CB -0.621 68.273 68.868 0.043 0.000 0.866 193 T HN 0.036 8.254 8.240 -0.037 0.000 0.444 194 F N 2.386 122.256 119.950 -0.133 0.000 2.171 194 F HA -0.346 nan 4.527 nan 0.000 0.300 194 F C 0.988 176.698 175.800 -0.150 0.000 1.090 194 F CA 3.716 61.635 58.000 -0.135 0.000 1.293 194 F CB 0.269 39.073 39.000 -0.326 0.000 1.013 194 F HN -0.327 8.022 8.300 0.082 0.000 0.486 195 L N -1.405 119.785 121.223 -0.055 0.000 2.093 195 L HA -0.292 nan 4.340 nan 0.000 0.208 195 L C 1.733 178.552 176.870 -0.085 0.000 1.085 195 L CA 3.244 58.043 54.840 -0.069 0.000 0.755 195 L CB -0.244 41.766 42.059 -0.081 0.000 0.904 195 L HN -0.507 7.580 8.230 -0.073 0.099 0.435 196 V N -0.150 119.714 119.914 -0.085 0.000 2.427 196 V HA -0.486 nan 4.120 nan 0.000 0.248 196 V C 2.018 178.058 176.094 -0.090 0.000 1.051 196 V CA 4.371 66.627 62.300 -0.072 0.000 1.048 196 V CB -1.118 30.672 31.823 -0.055 0.000 0.666 196 V HN -0.118 7.943 8.190 -0.079 0.081 0.456 197 D N 0.085 120.404 120.400 -0.135 0.000 2.144 197 D HA -0.215 nan 4.640 nan 0.000 0.199 197 D C 2.504 178.726 176.300 -0.130 0.000 0.984 197 D CA 3.502 57.411 54.000 -0.151 0.000 0.834 197 D CB -0.625 40.042 40.800 -0.221 0.000 0.955 197 D HN 0.033 8.234 8.370 -0.149 0.079 0.465 198 L N -1.503 119.626 121.223 -0.157 0.000 2.131 198 L HA -0.314 nan 4.340 nan 0.000 0.210 198 L C 1.736 178.614 176.870 0.012 0.000 1.092 198 L CA 3.205 58.047 54.840 0.003 0.000 0.759 198 L CB -0.191 41.887 42.059 0.032 0.000 0.903 198 L HN -0.590 7.399 8.230 -0.239 0.098 0.435 199 I N -1.911 118.636 120.570 -0.038 0.000 2.333 199 I HA -0.411 nan 4.170 nan 0.000 0.246 199 I C 2.672 178.746 176.117 -0.072 0.000 1.106 199 I CA 3.507 64.778 61.300 -0.049 0.000 1.411 199 I CB -0.300 37.669 38.000 -0.053 0.000 1.082 199 I HN -0.988 7.065 8.210 -0.058 0.123 0.420 200 K N 0.499 120.854 120.400 -0.075 0.000 2.032 200 K HA -0.325 nan 4.320 nan 0.000 0.209 200 K C 1.427 177.960 176.600 -0.111 0.000 1.048 200 K CA 2.273 58.513 56.287 -0.078 0.000 0.927 200 K CB -0.528 31.932 32.500 -0.066 0.000 0.712 200 K HN 0.369 8.577 8.250 -0.071 0.000 0.441 201 N N -2.697 115.916 118.700 -0.145 0.000 2.501 201 N HA -0.028 nan 4.740 nan 0.000 0.195 201 N C -0.737 174.499 175.510 -0.457 0.000 1.213 201 N CA -0.026 52.868 53.050 -0.260 0.000 0.864 201 N CB -0.206 38.147 38.487 -0.223 0.000 0.999 201 N HN -0.406 7.907 8.380 -0.112 0.000 0.454 202 K N -6.413 113.825 120.400 -0.271 0.000 3.209 202 K HA -0.424 nan 4.320 nan 0.000 0.289 202 K C 0.207 176.684 176.600 -0.206 0.000 1.191 202 K CA 1.317 57.479 56.287 -0.209 0.000 0.851 202 K CB -2.574 29.822 32.500 -0.174 0.000 1.242 202 K HN -0.326 7.588 8.250 -0.178 0.229 0.480 203 H N -3.584 115.482 119.070 -0.007 0.000 2.535 203 H HA -0.108 nan 4.556 nan 0.000 0.273 203 H C -0.479 174.867 175.328 0.031 0.000 0.983 203 H CA 1.697 57.757 56.048 0.020 0.000 1.238 203 H CB 0.911 30.691 29.762 0.030 0.000 1.412 203 H HN -0.045 8.053 8.280 -0.231 0.043 0.562 204 M N -3.678 115.979 119.600 0.095 0.000 2.520 204 M HA 0.116 nan 4.480 nan 0.000 0.283 204 M C -1.940 174.350 176.300 -0.017 0.000 1.237 204 M CA -0.571 54.753 55.300 0.040 0.000 0.885 204 M CB 4.652 37.272 32.600 0.032 0.000 1.727 204 M HN -0.743 7.540 8.290 0.048 0.036 0.468 205 N N 0.804 119.482 118.700 -0.036 0.000 2.456 205 N HA 0.236 nan 4.740 nan 0.000 0.288 205 N C 0.322 175.791 175.510 -0.068 0.000 1.059 205 N CA -0.635 52.387 53.050 -0.047 0.000 0.946 205 N CB 1.605 40.069 38.487 -0.038 0.000 1.150 205 N HN 0.310 8.670 8.380 -0.034 0.000 0.479 206 A N 3.153 125.937 122.820 -0.060 0.000 2.125 206 A HA -0.179 nan 4.320 nan 0.000 0.219 206 A C -0.201 177.345 177.584 -0.063 0.000 1.156 206 A CA 2.419 54.417 52.037 -0.065 0.000 0.671 206 A CB -0.528 18.442 19.000 -0.050 0.000 0.794 206 A HN 0.487 8.606 8.150 -0.051 0.000 0.459 207 D N -7.108 113.259 120.400 -0.056 0.000 2.340 207 D HA -0.016 nan 4.640 nan 0.000 0.217 207 D C -0.023 176.243 176.300 -0.057 0.000 1.081 207 D CA -0.290 53.681 54.000 -0.047 0.000 0.842 207 D CB -0.640 40.140 40.800 -0.034 0.000 0.934 207 D HN -0.258 8.020 8.370 -0.052 0.061 0.511 208 T N 4.786 119.290 114.554 -0.082 0.000 2.817 208 T HA -0.063 nan 4.350 nan 0.000 0.295 208 T C -0.825 173.807 174.700 -0.114 0.000 0.958 208 T CA 2.268 64.309 62.100 -0.098 0.000 1.157 208 T CB 0.030 68.818 68.868 -0.133 0.000 0.898 208 T HN -0.374 7.644 8.240 -0.090 0.168 0.536 209 D N 5.714 126.063 120.400 -0.084 0.000 2.666 209 D HA 0.140 nan 4.640 nan 0.000 0.252 209 D C 0.092 176.341 176.300 -0.086 0.000 1.143 209 D CA -1.334 52.624 54.000 -0.070 0.000 1.096 209 D CB 1.812 42.603 40.800 -0.014 0.000 1.260 209 D HN -0.316 8.015 8.370 -0.064 0.000 0.633 210 Y N 0.339 120.540 120.300 -0.166 0.000 2.145 210 Y HA -0.401 nan 4.550 nan 0.000 0.286 210 Y C 1.115 176.964 175.900 -0.084 0.000 1.145 210 Y CA 4.366 62.358 58.100 -0.180 0.000 1.148 210 Y CB 0.079 38.449 38.460 -0.150 0.000 0.981 210 Y HN 0.243 8.573 8.280 0.084 0.000 0.507 211 S N -1.178 114.613 115.700 0.152 0.000 2.406 211 S HA -0.284 nan 4.470 nan 0.000 0.228 211 S C 1.979 176.579 174.600 0.000 0.000 1.020 211 S CA 3.090 61.352 58.200 0.102 0.000 0.965 211 S CB -0.987 62.285 63.200 0.120 0.000 0.798 211 S HN -0.047 8.423 8.310 0.178 -0.053 0.488 212 I N 2.417 122.976 120.570 -0.018 0.000 2.202 212 I HA -0.482 nan 4.170 nan 0.000 0.242 212 I C 1.399 177.491 176.117 -0.041 0.000 1.091 212 I CA 4.124 65.408 61.300 -0.025 0.000 1.368 212 I CB -0.417 37.566 38.000 -0.028 0.000 1.058 212 I HN 0.147 8.717 8.210 -0.010 -0.366 0.410 213 A N -1.481 121.285 122.820 -0.090 0.000 1.933 213 A HA -0.362 nan 4.320 nan 0.000 0.218 213 A C 1.773 179.319 177.584 -0.063 0.000 1.175 213 A CA 3.316 55.306 52.037 -0.077 0.000 0.628 213 A CB -1.091 17.829 19.000 -0.134 0.000 0.814 213 A HN -0.253 7.825 8.150 -0.120 0.000 0.444 214 E N -1.064 119.042 120.200 -0.158 0.000 2.072 214 E HA -0.314 nan 4.350 nan 0.000 0.190 214 E C 1.985 178.597 176.600 0.021 0.000 0.982 214 E CA 2.704 59.040 56.400 -0.106 0.000 0.803 214 E CB -0.042 29.547 29.700 -0.186 0.000 0.755 214 E HN -0.389 7.835 8.360 -0.227 0.000 0.453 215 A N -0.648 122.178 122.820 0.010 0.000 1.877 215 A HA -0.288 nan 4.320 nan 0.000 0.216 215 A C 2.031 179.634 177.584 0.032 0.000 1.186 215 A CA 3.047 55.099 52.037 0.025 0.000 0.620 215 A CB -0.911 18.099 19.000 0.017 0.000 0.822 215 A HN -0.273 7.868 8.150 -0.014 0.000 0.443 216 A N -1.643 121.199 122.820 0.037 0.000 1.877 216 A HA -0.287 nan 4.320 nan 0.000 0.216 216 A C 1.540 179.156 177.584 0.054 0.000 1.186 216 A CA 2.926 54.987 52.037 0.040 0.000 0.620 216 A CB -0.687 18.342 19.000 0.049 0.000 0.822 216 A HN -0.299 7.867 8.150 0.028 0.000 0.443 217 F N -1.664 118.271 119.950 -0.024 0.000 2.113 217 F HA -0.383 nan 4.527 nan 0.000 0.297 217 F C 2.386 178.168 175.800 -0.029 0.000 1.103 217 F CA 3.745 61.733 58.000 -0.021 0.000 1.248 217 F CB 0.378 39.359 39.000 -0.032 0.000 0.999 217 F HN -0.305 8.125 8.300 0.216 0.000 0.475 218 N N -0.539 118.222 118.700 0.102 0.000 2.453 218 N HA -0.227 nan 4.740 nan 0.000 0.183 218 N C 1.114 176.586 175.510 -0.063 0.000 1.041 218 N CA 2.205 55.267 53.050 0.020 0.000 0.900 218 N CB -0.003 38.526 38.487 0.072 0.000 0.961 218 N HN 0.094 8.580 8.380 0.177 0.000 0.443 219 K N -3.256 117.106 120.400 -0.063 0.000 2.404 219 K HA 0.062 nan 4.320 nan 0.000 0.194 219 K C -0.118 176.420 176.600 -0.103 0.000 1.023 219 K CA -0.197 56.052 56.287 -0.063 0.000 1.094 219 K CB 0.122 32.603 32.500 -0.031 0.000 0.841 219 K HN -0.431 7.656 8.250 -0.038 0.140 0.523 220 G N -1.564 107.123 108.800 -0.189 0.000 2.143 220 G HA2 -0.327 nan 3.960 nan 0.000 0.249 220 G HA3 -0.327 nan 3.960 nan 0.000 0.249 220 G C 0.931 175.751 174.900 -0.134 0.000 0.981 220 G CA 0.642 45.616 45.100 -0.209 0.000 0.665 220 G HN -0.291 7.662 8.290 -0.249 0.188 0.528 221 E N -0.578 119.567 120.200 -0.091 0.000 2.299 221 E HA -0.136 nan 4.350 nan 0.000 0.193 221 E C -0.766 175.827 176.600 -0.011 0.000 0.998 221 E CA 1.461 57.839 56.400 -0.037 0.000 0.851 221 E CB 0.675 30.366 29.700 -0.015 0.000 0.795 221 E HN 0.057 8.315 8.360 -0.095 0.045 0.492 222 T N -3.201 111.348 114.554 -0.008 0.000 2.893 222 T HA 0.390 nan 4.350 nan 0.000 0.291 222 T C -1.192 173.554 174.700 0.077 0.000 1.028 222 T CA -2.082 60.059 62.100 0.067 0.000 0.995 222 T CB 1.446 70.397 68.868 0.139 0.000 1.051 222 T HN -0.880 7.326 8.240 -0.055 0.000 0.470 223 A N 5.463 128.357 122.820 0.123 0.000 2.067 223 A HA 0.147 nan 4.320 nan 0.000 0.217 223 A C -0.884 176.919 177.584 0.364 0.000 1.156 223 A CA 1.805 53.935 52.037 0.155 0.000 0.683 223 A CB 1.184 20.256 19.000 0.119 0.000 0.808 223 A HN 0.649 8.869 8.150 0.117 0.000 0.455 224 M N -7.312 112.524 119.600 0.394 0.000 2.622 224 M HA 0.580 nan 4.480 nan 0.000 0.276 224 M C -1.987 174.447 176.300 0.224 0.000 1.265 224 M CA -0.601 54.910 55.300 0.351 0.000 0.850 224 M CB 5.389 38.082 32.600 0.155 0.000 1.720 224 M HN -0.771 7.671 8.290 0.310 0.035 0.465 225 T N 0.103 114.619 114.554 -0.064 0.000 2.821 225 T HA 0.598 nan 4.350 nan 0.000 0.306 225 T C -2.442 172.198 174.700 -0.099 0.000 1.313 225 T CA -1.208 60.842 62.100 -0.083 0.000 1.012 225 T CB 3.087 71.792 68.868 -0.271 0.000 1.298 225 T HN 0.756 8.911 8.240 -0.142 0.000 0.502 226 I N 2.719 123.294 120.570 0.008 0.000 2.389 226 I HA 0.694 nan 4.170 nan 0.000 0.288 226 I C -2.249 173.993 176.117 0.208 0.000 0.999 226 I CA -0.787 60.520 61.300 0.012 0.000 1.129 226 I CB 1.192 39.083 38.000 -0.181 0.000 1.288 226 I HN 0.337 8.634 8.210 0.145 0.000 0.444 227 N N 5.769 124.571 118.700 0.169 0.000 3.116 227 N HA 0.255 nan 4.740 nan 0.000 0.244 227 N C -1.952 173.674 175.510 0.194 0.000 1.485 227 N CA -0.919 52.296 53.050 0.274 0.000 0.884 227 N CB 4.320 42.917 38.487 0.184 0.000 1.415 227 N HN -0.179 8.260 8.380 0.098 0.000 0.524 228 G N -1.390 107.506 108.800 0.161 0.000 2.601 228 G HA2 0.515 nan 3.960 nan 0.000 0.317 228 G HA3 0.515 nan 3.960 nan 0.000 0.317 228 G C -1.226 173.488 174.900 -0.310 0.000 1.246 228 G CA -2.172 42.935 45.100 0.013 0.000 1.012 228 G HN 0.242 8.675 8.290 0.238 0.000 0.494 229 P HA -0.204 nan 4.420 nan 0.000 0.217 229 P C 1.263 177.978 177.300 -0.975 0.000 1.148 229 P CA 2.394 64.568 63.100 -1.543 0.000 0.828 229 P CB 0.097 31.170 31.700 -1.045 0.000 0.783 230 R N -2.668 117.565 120.500 -0.445 0.000 2.237 230 R HA -0.188 nan 4.340 nan 0.000 0.219 230 R C 0.764 177.001 176.300 -0.105 0.000 1.080 230 R CA 2.055 58.023 56.100 -0.220 0.000 0.995 230 R CB -0.683 29.545 30.300 -0.120 0.000 0.875 230 R HN 0.003 8.035 8.270 -0.345 0.031 0.462 231 A N -1.261 121.499 122.820 -0.100 0.000 1.975 231 A HA -0.009 nan 4.320 nan 0.000 0.215 231 A C 1.713 179.372 177.584 0.124 0.000 1.170 231 A CA 2.228 54.303 52.037 0.064 0.000 0.656 231 A CB -0.798 18.265 19.000 0.105 0.000 0.821 231 A HN 0.199 8.052 8.150 -0.226 0.161 0.449 232 W N -1.635 119.658 121.300 -0.012 0.000 2.308 232 W HA -0.360 nan 4.660 nan 0.000 0.301 232 W C 1.674 178.198 176.519 0.008 0.000 1.220 232 W CA 1.317 58.646 57.345 -0.026 0.000 1.240 232 W CB -1.309 28.215 29.460 0.108 0.000 1.142 232 W HN -0.432 7.644 8.180 -0.173 0.000 0.521 233 S N -1.160 114.681 115.700 0.234 0.000 2.356 233 S HA -0.420 nan 4.470 nan 0.000 0.223 233 S C 2.217 176.886 174.600 0.115 0.000 1.032 233 S CA 3.475 61.770 58.200 0.158 0.000 1.005 233 S CB -0.853 62.405 63.200 0.098 0.000 0.867 233 S HN 0.009 8.398 8.310 0.179 0.028 0.449 234 N N 2.494 121.250 118.700 0.093 0.000 2.331 234 N HA -0.166 nan 4.740 nan 0.000 0.180 234 N C 2.444 177.989 175.510 0.058 0.000 1.019 234 N CA 2.873 55.967 53.050 0.073 0.000 0.881 234 N CB -0.030 38.502 38.487 0.076 0.000 0.972 234 N HN -0.658 7.780 8.380 0.096 0.000 0.435 235 I N 0.620 121.205 120.570 0.025 0.000 2.353 235 I HA -0.537 nan 4.170 nan 0.000 0.248 235 I C 1.282 177.431 176.117 0.052 0.000 1.119 235 I CA 3.977 65.251 61.300 -0.042 0.000 1.417 235 I CB -0.313 37.450 38.000 -0.396 0.000 1.078 235 I HN -0.751 7.378 8.210 0.033 0.101 0.421 236 D N -0.850 119.630 120.400 0.133 0.000 2.144 236 D HA -0.289 nan 4.640 nan 0.000 0.199 236 D C 1.804 178.176 176.300 0.119 0.000 0.984 236 D CA 3.512 57.630 54.000 0.198 0.000 0.834 236 D CB -0.296 40.627 40.800 0.205 0.000 0.955 236 D HN 0.077 8.523 8.370 0.127 0.000 0.465 237 T N -6.015 108.593 114.554 0.089 0.000 2.985 237 T HA -0.059 nan 4.350 nan 0.000 0.266 237 T C 1.764 176.495 174.700 0.052 0.000 1.076 237 T CA 1.993 64.131 62.100 0.064 0.000 1.135 237 T CB -0.262 68.639 68.868 0.055 0.000 0.890 237 T HN -0.661 7.622 8.240 0.091 0.012 0.480 238 S N 1.949 117.681 115.700 0.054 0.000 2.453 238 S HA -0.139 nan 4.470 nan 0.000 0.231 238 S C 0.686 175.307 174.600 0.035 0.000 1.005 238 S CA 1.107 59.329 58.200 0.037 0.000 0.949 238 S CB 0.662 63.881 63.200 0.031 0.000 0.774 238 S HN -0.623 7.584 8.310 0.063 0.141 0.510 239 K N -2.455 117.982 120.400 0.061 0.000 3.341 239 K HA -0.268 nan 4.320 nan 0.000 0.305 239 K C -0.433 176.198 176.600 0.050 0.000 1.270 239 K CA 0.494 56.816 56.287 0.058 0.000 0.897 239 K CB -2.614 29.904 32.500 0.030 0.000 1.264 239 K HN -0.417 7.733 8.250 0.083 0.150 0.468 240 V N 0.185 120.135 119.914 0.060 0.000 2.655 240 V HA -0.121 nan 4.120 nan 0.000 0.300 240 V C 0.157 176.324 176.094 0.120 0.000 1.044 240 V CA 0.788 63.103 62.300 0.025 0.000 1.095 240 V CB 0.357 32.139 31.823 -0.069 0.000 0.952 240 V HN -0.472 7.704 8.190 0.066 0.054 0.485 241 N N 7.452 126.174 118.700 0.037 0.000 2.448 241 N HA 0.015 nan 4.740 nan 0.000 0.250 241 N C -1.897 173.621 175.510 0.013 0.000 1.136 241 N CA -0.702 52.351 53.050 0.006 0.000 0.953 241 N CB -0.468 37.994 38.487 -0.042 0.000 1.251 241 N HN 0.227 8.599 8.380 -0.014 0.000 0.502 242 Y N 1.609 121.834 120.300 -0.125 0.000 2.528 242 Y HA 0.811 nan 4.550 nan 0.000 0.335 242 Y C -1.724 173.947 175.900 -0.382 0.000 1.093 242 Y CA -3.243 54.744 58.100 -0.189 0.000 1.134 242 Y CB 2.958 41.434 38.460 0.027 0.000 1.253 242 Y HN -0.594 7.712 8.280 0.044 0.000 0.478 243 G N -1.853 106.580 108.800 -0.612 0.000 2.533 243 G HA2 0.273 nan 3.960 nan 0.000 0.304 243 G HA3 0.273 nan 3.960 nan 0.000 0.304 243 G C -2.834 171.884 174.900 -0.302 0.000 1.263 243 G CA -1.687 43.008 45.100 -0.674 0.000 0.964 243 G HN 0.297 8.162 8.290 -0.708 0.000 0.479 244 V N 0.241 120.084 119.914 -0.119 0.000 2.540 244 V HA 0.656 nan 4.120 nan 0.000 0.302 244 V C -1.131 175.017 176.094 0.090 0.000 1.035 244 V CA -1.403 60.905 62.300 0.013 0.000 0.873 244 V CB 2.122 33.869 31.823 -0.127 0.000 0.992 244 V HN 0.145 8.226 8.190 -0.182 0.000 0.428 245 T N 6.494 121.126 114.554 0.131 0.000 2.754 245 T HA 0.399 nan 4.350 nan 0.000 0.296 245 T C -1.870 172.840 174.700 0.016 0.000 1.205 245 T CA -2.001 60.144 62.100 0.074 0.000 1.009 245 T CB 3.983 72.903 68.868 0.087 0.000 1.368 245 T HN 0.513 8.730 8.240 0.136 0.105 0.509 246 V N 2.062 121.962 119.914 -0.023 0.000 2.673 246 V HA 0.004 nan 4.120 nan 0.000 0.303 246 V C -0.117 175.927 176.094 -0.083 0.000 1.046 246 V CA 0.127 62.399 62.300 -0.046 0.000 1.126 246 V CB 0.366 32.155 31.823 -0.056 0.000 0.934 246 V HN 0.329 8.503 8.190 -0.026 0.000 0.487 247 L N 8.922 130.096 121.223 -0.081 0.000 2.483 247 L HA 0.172 nan 4.340 nan 0.000 0.275 247 L C -1.221 175.547 176.870 -0.170 0.000 1.220 247 L CA -0.544 54.218 54.840 -0.130 0.000 0.833 247 L CB -0.714 41.309 42.059 -0.061 0.000 1.102 247 L HN 0.125 8.685 8.230 -0.055 -0.363 0.490 248 P HA 0.079 nan 4.420 nan 0.000 0.272 248 P C -1.289 175.970 177.300 -0.069 0.000 1.223 248 P CA -0.518 62.372 63.100 -0.350 0.000 0.784 248 P CB 0.514 31.729 31.700 -0.809 0.000 0.923 249 T N -2.290 112.266 114.554 0.002 0.000 2.868 249 T HA 0.429 nan 4.350 nan 0.000 0.292 249 T C -1.304 173.568 174.700 0.286 0.000 1.028 249 T CA -1.046 61.119 62.100 0.109 0.000 1.059 249 T CB 1.301 70.176 68.868 0.012 0.000 0.991 249 T HN 0.293 8.495 8.240 -0.063 0.000 0.531 250 F N 2.172 122.146 119.950 0.041 0.000 2.539 250 F HA 0.403 nan 4.527 nan 0.000 0.318 250 F C -0.834 174.896 175.800 -0.116 0.000 1.135 250 F CA -2.047 55.900 58.000 -0.088 0.000 0.915 250 F CB 2.891 41.730 39.000 -0.268 0.000 1.176 250 F HN 0.660 8.974 8.300 0.198 0.105 0.440 251 K N 7.920 127.835 120.400 -0.808 0.000 3.016 251 K HA -0.417 nan 4.320 nan 0.000 0.262 251 K C -0.439 175.986 176.600 -0.291 0.000 1.043 251 K CA 1.070 56.980 56.287 -0.628 0.000 0.761 251 K CB -2.034 30.003 32.500 -0.773 0.000 1.230 251 K HN 1.048 9.270 8.250 -0.816 -0.462 0.485 252 G N -5.915 102.773 108.800 -0.187 0.000 2.179 252 G HA2 -0.430 nan 3.960 nan 0.000 0.260 252 G HA3 -0.430 nan 3.960 nan 0.000 0.260 252 G C -0.192 174.663 174.900 -0.075 0.000 0.977 252 G CA 0.141 45.176 45.100 -0.108 0.000 0.641 252 G HN 0.307 8.459 8.290 -0.180 0.030 0.533 253 Q N 0.447 120.206 119.800 -0.069 0.000 2.245 253 Q HA 0.521 nan 4.340 nan 0.000 0.256 253 Q C -2.352 173.651 176.000 0.005 0.000 0.942 253 Q CA -3.331 52.452 55.803 -0.033 0.000 0.896 253 Q CB 0.297 29.016 28.738 -0.031 0.000 1.272 253 Q HN -0.112 7.887 8.270 -0.102 0.210 0.442 254 P HA -0.059 nan 4.420 nan 0.000 0.269 254 P C -0.887 176.422 177.300 0.015 0.000 1.209 254 P CA 0.043 63.142 63.100 -0.001 0.000 0.776 254 P CB 0.271 31.953 31.700 -0.029 0.000 0.876 255 S N 2.114 117.842 115.700 0.047 0.000 2.568 255 S HA -0.081 nan 4.470 nan 0.000 0.282 255 S C 0.019 174.594 174.600 -0.042 0.000 1.338 255 S CA 1.156 59.376 58.200 0.034 0.000 1.045 255 S CB 0.694 63.967 63.200 0.123 0.000 0.873 255 S HN -0.030 8.315 8.310 0.058 0.000 0.516 256 K N 5.562 125.896 120.400 -0.110 0.000 2.499 256 K HA 0.324 nan 4.320 nan 0.000 0.215 256 K C -2.485 174.045 176.600 -0.118 0.000 1.041 256 K CA -2.432 53.789 56.287 -0.111 0.000 1.031 256 K CB 0.726 33.147 32.500 -0.131 0.000 1.479 256 K HN -0.172 7.883 8.250 -0.165 0.096 0.518 257 P HA 0.039 nan 4.420 nan 0.000 0.274 257 P C -0.904 176.405 177.300 0.016 0.000 1.231 257 P CA -0.687 62.372 63.100 -0.069 0.000 0.790 257 P CB 0.806 32.465 31.700 -0.068 0.000 0.951 258 F N -0.507 119.534 119.950 0.151 0.000 2.484 258 F HA 0.112 nan 4.527 nan 0.000 0.360 258 F C 0.080 176.006 175.800 0.209 0.000 1.101 258 F CA 0.303 58.431 58.000 0.212 0.000 1.251 258 F CB 0.496 39.683 39.000 0.312 0.000 1.132 258 F HN -0.054 8.258 8.300 0.021 0.000 0.570 259 V N 3.585 123.757 119.914 0.430 0.000 2.394 259 V HA 0.374 nan 4.120 nan 0.000 0.282 259 V C -0.662 175.637 176.094 0.342 0.000 1.031 259 V CA -1.240 61.247 62.300 0.311 0.000 0.881 259 V CB 0.652 32.628 31.823 0.254 0.000 0.982 259 V HN 0.370 8.737 8.190 0.466 0.103 0.451 260 G N 5.931 114.895 108.800 0.273 0.000 2.368 260 G HA2 0.471 nan 3.960 nan 0.000 0.320 260 G HA3 0.471 nan 3.960 nan 0.000 0.320 260 G C -2.599 172.387 174.900 0.144 0.000 1.158 260 G CA -1.374 43.876 45.100 0.250 0.000 0.912 260 G HN 0.398 8.829 8.290 0.235 0.000 0.456 261 V N 5.839 125.870 119.914 0.196 0.000 2.334 261 V HA 0.401 nan 4.120 nan 0.000 0.281 261 V C -0.883 175.202 176.094 -0.016 0.000 1.016 261 V CA -1.543 60.752 62.300 -0.007 0.000 0.832 261 V CB 0.923 32.617 31.823 -0.215 0.000 0.999 261 V HN 0.157 8.744 8.190 0.661 0.000 0.439 262 L N 9.484 130.675 121.223 -0.055 0.000 2.513 262 L HA 0.094 nan 4.340 nan 0.000 0.272 262 L C -1.796 175.056 176.870 -0.031 0.000 1.187 262 L CA 0.687 55.488 54.840 -0.065 0.000 0.895 262 L CB 0.476 42.528 42.059 -0.011 0.000 1.147 262 L HN -0.013 8.190 8.230 -0.044 0.000 0.483 263 S N 7.161 122.812 115.700 -0.081 0.000 2.599 263 S HA 0.779 nan 4.470 nan 0.000 0.287 263 S C -2.512 172.085 174.600 -0.005 0.000 1.105 263 S CA -1.288 56.885 58.200 -0.046 0.000 0.899 263 S CB 3.499 66.636 63.200 -0.105 0.000 1.100 263 S HN 0.891 8.993 8.310 -0.153 0.116 0.482 264 A N 1.145 123.948 122.820 -0.029 0.000 2.291 264 A HA 0.833 nan 4.320 nan 0.000 0.311 264 A C -1.606 176.032 177.584 0.090 0.000 1.224 264 A CA -1.875 49.980 52.037 -0.303 0.000 0.821 264 A CB 1.833 20.375 19.000 -0.763 0.000 1.172 264 A HN 0.828 8.910 8.150 0.072 0.111 0.494 265 G N 2.084 110.925 108.800 0.068 0.000 2.432 265 G HA2 0.730 nan 3.960 nan 0.000 0.331 265 G HA3 0.730 nan 3.960 nan 0.000 0.331 265 G C -2.548 172.282 174.900 -0.117 0.000 1.170 265 G CA -2.167 42.891 45.100 -0.069 0.000 0.943 265 G HN 0.777 9.092 8.290 0.042 0.000 0.483 266 I N -0.134 120.399 120.570 -0.061 0.000 2.354 266 I HA 0.175 nan 4.170 nan 0.000 0.292 266 I C -0.824 175.264 176.117 -0.047 0.000 0.989 266 I CA -1.143 60.136 61.300 -0.036 0.000 1.188 266 I CB 1.735 39.751 38.000 0.026 0.000 1.342 266 I HN 0.277 8.463 8.210 -0.040 0.000 0.457 267 N N 7.831 126.512 118.700 -0.032 0.000 2.359 267 N HA -0.234 nan 4.740 nan 0.000 0.261 267 N C 1.042 176.537 175.510 -0.025 0.000 1.267 267 N CA 0.951 54.013 53.050 0.020 0.000 0.864 267 N CB 0.825 39.311 38.487 -0.002 0.000 1.063 267 N HN 0.265 8.505 8.380 -0.052 0.109 0.474 268 A N 7.096 129.896 122.820 -0.033 0.000 2.019 268 A HA -0.215 nan 4.320 nan 0.000 0.219 268 A C 1.065 178.617 177.584 -0.054 0.000 1.164 268 A CA 2.915 54.928 52.037 -0.041 0.000 0.644 268 A CB -0.191 18.782 19.000 -0.046 0.000 0.805 268 A HN 0.708 8.735 8.150 -0.025 0.108 0.449 269 A N -4.239 118.534 122.820 -0.078 0.000 2.251 269 A HA 0.027 nan 4.320 nan 0.000 0.209 269 A C -0.465 177.076 177.584 -0.072 0.000 1.187 269 A CA -0.373 51.614 52.037 -0.083 0.000 0.823 269 A CB -0.369 18.560 19.000 -0.118 0.000 0.846 269 A HN -0.416 7.941 8.150 -0.093 -0.263 0.486 270 S N 0.312 115.975 115.700 -0.062 0.000 2.510 270 S HA 0.251 nan 4.470 nan 0.000 0.279 270 S C -1.054 173.523 174.600 -0.037 0.000 1.284 270 S CA -3.405 54.762 58.200 -0.055 0.000 1.059 270 S CB 0.815 63.985 63.200 -0.050 0.000 0.901 270 S HN -0.727 7.359 8.310 -0.057 0.190 0.491 271 P HA 0.117 nan 4.420 nan 0.000 0.249 271 P C -0.568 176.725 177.300 -0.012 0.000 1.229 271 P CA 0.408 63.495 63.100 -0.023 0.000 0.788 271 P CB -0.020 31.665 31.700 -0.025 0.000 1.072 272 N N 0.079 118.771 118.700 -0.013 0.000 2.467 272 N HA 0.242 nan 4.740 nan 0.000 0.278 272 N C 0.087 175.603 175.510 0.010 0.000 1.306 272 N CA -0.553 52.497 53.050 0.001 0.000 0.905 272 N CB 0.392 38.874 38.487 -0.008 0.000 1.236 272 N HN 0.017 8.285 8.380 -0.023 0.097 0.509 273 K N 0.764 121.171 120.400 0.012 0.000 2.147 273 K HA -0.327 nan 4.320 nan 0.000 0.205 273 K C 1.462 178.089 176.600 0.044 0.000 1.049 273 K CA 4.274 60.576 56.287 0.025 0.000 0.936 273 K CB -0.303 32.209 32.500 0.020 0.000 0.722 273 K HN -0.129 8.063 8.250 0.006 0.061 0.446 274 E N -1.428 118.799 120.200 0.046 0.000 2.107 274 E HA -0.228 nan 4.350 nan 0.000 0.191 274 E C 2.376 179.030 176.600 0.090 0.000 0.982 274 E CA 2.826 59.263 56.400 0.061 0.000 0.809 274 E CB -1.043 28.689 29.700 0.054 0.000 0.756 274 E HN 0.261 8.624 8.360 0.037 0.019 0.459 275 L N -0.500 120.782 121.223 0.099 0.000 2.046 275 L HA -0.228 nan 4.340 nan 0.000 0.208 275 L C 1.861 178.780 176.870 0.081 0.000 1.077 275 L CA 3.167 58.108 54.840 0.168 0.000 0.747 275 L CB -0.471 41.683 42.059 0.158 0.000 0.896 275 L HN -0.549 7.726 8.230 0.074 0.000 0.432 276 A N -1.553 121.284 122.820 0.030 0.000 1.902 276 A HA -0.366 nan 4.320 nan 0.000 0.217 276 A C 1.549 179.153 177.584 0.034 0.000 1.181 276 A CA 3.328 55.373 52.037 0.012 0.000 0.623 276 A CB -0.986 18.024 19.000 0.018 0.000 0.818 276 A HN 0.142 8.314 8.150 0.036 0.000 0.443 277 K N -1.519 118.911 120.400 0.051 0.000 2.057 277 K HA -0.320 nan 4.320 nan 0.000 0.206 277 K C 1.897 178.472 176.600 -0.041 0.000 1.050 277 K CA 3.300 59.603 56.287 0.027 0.000 0.935 277 K CB -0.025 32.523 32.500 0.080 0.000 0.715 277 K HN -0.328 7.961 8.250 0.065 0.000 0.439 278 E N -0.191 120.042 120.200 0.055 0.000 2.072 278 E HA -0.289 nan 4.350 nan 0.000 0.191 278 E C 2.230 178.909 176.600 0.131 0.000 0.985 278 E CA 2.608 59.094 56.400 0.143 0.000 0.801 278 E CB -0.495 29.381 29.700 0.293 0.000 0.750 278 E HN -0.505 7.908 8.360 0.088 0.000 0.452 279 F N 0.681 120.468 119.950 -0.271 0.000 2.069 279 F HA -0.332 nan 4.527 nan 0.000 0.298 279 F C 1.391 177.075 175.800 -0.195 0.000 1.113 279 F CA 3.551 61.213 58.000 -0.564 0.000 1.214 279 F CB 0.196 38.641 39.000 -0.925 0.000 0.978 279 F HN -0.175 8.110 8.300 -0.025 0.000 0.474 280 L N -2.549 118.487 121.223 -0.311 0.000 2.005 280 L HA -0.524 nan 4.340 nan 0.000 0.207 280 L C 2.151 178.737 176.870 -0.472 0.000 1.072 280 L CA 3.623 58.187 54.840 -0.460 0.000 0.744 280 L CB -0.354 41.349 42.059 -0.592 0.000 0.895 280 L HN 0.041 8.196 8.230 -0.124 0.000 0.433 281 E N -1.847 118.042 120.200 -0.517 0.000 2.107 281 E HA -0.279 nan 4.350 nan 0.000 0.191 281 E C 1.753 178.278 176.600 -0.125 0.000 0.982 281 E CA 2.716 58.813 56.400 -0.506 0.000 0.809 281 E CB -0.011 29.240 29.700 -0.748 0.000 0.756 281 E HN -0.056 8.012 8.360 -0.487 0.000 0.459 282 N N -4.520 114.143 118.700 -0.061 0.000 2.197 282 N HA 0.093 nan 4.740 nan 0.000 0.201 282 N C -0.193 175.205 175.510 -0.187 0.000 1.148 282 N CA 0.665 53.697 53.050 -0.029 0.000 0.883 282 N CB 1.365 39.885 38.487 0.055 0.000 1.012 282 N HN -0.338 8.014 8.380 -0.047 0.000 0.507 283 Y N -1.532 118.640 120.300 -0.214 0.000 2.697 283 Y HA 0.002 nan 4.550 nan 0.000 0.268 283 Y C 1.024 176.715 175.900 -0.349 0.000 1.092 283 Y CA 2.034 59.980 58.100 -0.256 0.000 1.304 283 Y CB 1.096 39.365 38.460 -0.319 0.000 1.446 283 Y HN -0.495 7.766 8.280 -0.031 0.000 0.491 284 L N -0.586 120.392 121.223 -0.409 0.000 2.023 284 L HA -0.117 nan 4.340 nan 0.000 0.205 284 L C 1.227 178.009 176.870 -0.147 0.000 1.073 284 L CA 2.483 57.133 54.840 -0.316 0.000 0.745 284 L CB 0.844 42.686 42.059 -0.361 0.000 0.900 284 L HN -0.055 7.810 8.230 -0.608 0.000 0.435 285 L N -0.374 120.793 121.223 -0.094 0.000 2.672 285 L HA -0.039 nan 4.340 nan 0.000 0.238 285 L C -1.193 175.688 176.870 0.019 0.000 1.392 285 L CA -0.220 54.634 54.840 0.022 0.000 1.238 285 L CB -1.761 40.416 42.059 0.196 0.000 1.548 285 L HN -0.086 8.057 8.230 -0.145 0.000 0.423 286 T N -4.953 109.559 114.554 -0.069 0.000 2.901 286 T HA 0.304 nan 4.350 nan 0.000 0.293 286 T C 0.436 175.034 174.700 -0.171 0.000 1.084 286 T CA -2.105 59.941 62.100 -0.091 0.000 1.008 286 T CB 3.405 72.203 68.868 -0.116 0.000 1.170 286 T HN -0.099 7.975 8.240 -0.105 0.103 0.509 287 D N 1.678 121.981 120.400 -0.161 0.000 2.149 287 D HA -0.337 nan 4.640 nan 0.000 0.198 287 D C 1.866 177.919 176.300 -0.412 0.000 0.990 287 D CA 4.021 57.841 54.000 -0.299 0.000 0.839 287 D CB -0.333 40.424 40.800 -0.072 0.000 0.948 287 D HN 0.627 8.941 8.370 -0.094 0.000 0.460 288 E N -0.918 119.147 120.200 -0.225 0.000 2.152 288 E HA -0.164 nan 4.350 nan 0.000 0.192 288 E C 2.291 178.783 176.600 -0.180 0.000 0.983 288 E CA 2.232 58.526 56.400 -0.176 0.000 0.818 288 E CB -0.644 28.994 29.700 -0.105 0.000 0.758 288 E HN 0.300 8.543 8.360 -0.169 0.015 0.467 289 G N 0.050 108.739 108.800 -0.184 0.000 2.404 289 G HA2 -0.191 nan 3.960 nan 0.000 0.214 289 G HA3 -0.191 nan 3.960 nan 0.000 0.214 289 G C 0.973 175.773 174.900 -0.167 0.000 1.189 289 G CA 1.715 46.729 45.100 -0.143 0.000 0.789 289 G HN -0.044 8.040 8.290 -0.190 0.092 0.533 290 L N 0.662 121.728 121.223 -0.261 0.000 2.083 290 L HA -0.432 nan 4.340 nan 0.000 0.209 290 L C 1.648 178.344 176.870 -0.289 0.000 1.083 290 L CA 2.827 57.516 54.840 -0.253 0.000 0.752 290 L CB -0.324 41.568 42.059 -0.278 0.000 0.899 290 L HN 0.054 8.106 8.230 -0.297 0.000 0.433 291 E N -0.283 119.600 120.200 -0.527 0.000 2.085 291 E HA -0.447 nan 4.350 nan 0.000 0.194 291 E C 1.928 178.493 176.600 -0.058 0.000 0.994 291 E CA 3.446 59.713 56.400 -0.222 0.000 0.801 291 E CB -0.179 29.394 29.700 -0.212 0.000 0.743 291 E HN -0.167 7.771 8.360 -0.703 0.000 0.453 292 A N -1.143 121.630 122.820 -0.078 0.000 1.902 292 A HA -0.250 nan 4.320 nan 0.000 0.217 292 A C 2.558 180.128 177.584 -0.023 0.000 1.181 292 A CA 3.168 55.187 52.037 -0.030 0.000 0.623 292 A CB -0.639 18.352 19.000 -0.015 0.000 0.818 292 A HN -0.533 7.542 8.150 -0.124 0.000 0.443 293 V N -0.927 118.968 119.914 -0.032 0.000 2.307 293 V HA -0.480 nan 4.120 nan 0.000 0.245 293 V C 1.765 177.848 176.094 -0.018 0.000 1.045 293 V CA 4.517 66.796 62.300 -0.034 0.000 1.024 293 V CB -0.789 31.012 31.823 -0.036 0.000 0.651 293 V HN -0.411 7.750 8.190 -0.049 0.000 0.449 294 N N -0.687 118.029 118.700 0.027 0.000 2.166 294 N HA -0.250 nan 4.740 nan 0.000 0.186 294 N C 1.983 177.522 175.510 0.048 0.000 1.019 294 N CA 2.802 55.894 53.050 0.071 0.000 0.856 294 N CB 0.090 38.691 38.487 0.191 0.000 0.993 294 N HN 0.054 8.449 8.380 0.026 0.000 0.426 295 K N -2.478 117.945 120.400 0.038 0.000 2.209 295 K HA -0.230 nan 4.320 nan 0.000 0.204 295 K C 0.683 177.278 176.600 -0.009 0.000 1.048 295 K CA 2.263 58.564 56.287 0.024 0.000 0.940 295 K CB 0.269 32.782 32.500 0.021 0.000 0.729 295 K HN -0.061 8.199 8.250 0.037 0.012 0.451 296 D N -1.648 118.730 120.400 -0.037 0.000 2.107 296 D HA -0.041 nan 4.640 nan 0.000 0.204 296 D C -0.277 175.969 176.300 -0.090 0.000 0.978 296 D CA 1.833 55.783 54.000 -0.083 0.000 0.852 296 D CB 1.134 41.855 40.800 -0.131 0.000 1.008 296 D HN -0.667 7.552 8.370 -0.032 0.133 0.458 297 K N -1.819 118.531 120.400 -0.085 0.000 2.565 297 K HA 0.459 nan 4.320 nan 0.000 0.249 297 K C -2.621 173.957 176.600 -0.036 0.000 0.958 297 K CA -3.059 53.185 56.287 -0.071 0.000 0.806 297 K CB 3.099 35.532 32.500 -0.113 0.000 1.194 297 K HN -0.372 7.829 8.250 -0.082 0.000 0.434 298 P HA -0.116 nan 4.420 nan 0.000 0.264 298 P C -0.801 176.498 177.300 -0.002 0.000 1.183 298 P CA 0.369 63.483 63.100 0.024 0.000 0.763 298 P CB 0.469 32.202 31.700 0.054 0.000 0.807 299 L N 1.714 122.952 121.223 0.026 0.000 2.446 299 L HA -0.037 nan 4.340 nan 0.000 0.219 299 L C 0.455 177.320 176.870 -0.008 0.000 1.116 299 L CA 0.632 55.478 54.840 0.010 0.000 0.844 299 L CB 0.691 42.784 42.059 0.057 0.000 0.970 299 L HN 0.424 9.063 8.230 0.063 -0.370 0.457 300 G N -2.279 106.526 108.800 0.009 0.000 2.481 300 G HA2 -0.335 nan 3.960 nan 0.000 0.230 300 G HA3 -0.335 nan 3.960 nan 0.000 0.230 300 G C -1.396 173.541 174.900 0.061 0.000 1.210 300 G CA -0.651 44.453 45.100 0.007 0.000 0.936 300 G HN -0.727 7.540 8.290 0.036 0.045 0.583 301 A N 2.005 124.862 122.820 0.063 0.000 2.340 301 A HA 0.409 nan 4.320 nan 0.000 0.268 301 A C -0.638 176.990 177.584 0.073 0.000 1.100 301 A CA -0.532 51.547 52.037 0.070 0.000 0.803 301 A CB 1.414 20.456 19.000 0.071 0.000 1.043 301 A HN 0.113 8.292 8.150 0.048 0.000 0.488 302 V N -6.250 113.725 119.914 0.102 0.000 2.919 302 V HA 0.680 nan 4.120 nan 0.000 0.316 302 V C -1.113 175.068 176.094 0.145 0.000 1.077 302 V CA -2.757 59.615 62.300 0.121 0.000 0.977 302 V CB 2.665 34.600 31.823 0.187 0.000 1.039 302 V HN 0.027 8.588 8.190 0.105 -0.308 0.441 303 A N -0.010 122.849 122.820 0.065 0.000 2.119 303 A HA 0.178 nan 4.320 nan 0.000 0.216 303 A C -0.523 177.048 177.584 -0.022 0.000 1.152 303 A CA 1.718 53.769 52.037 0.024 0.000 0.708 303 A CB 0.705 19.596 19.000 -0.182 0.000 0.805 303 A HN 0.525 8.586 8.150 0.032 0.108 0.460 304 L N -2.205 119.014 121.223 -0.007 0.000 2.325 304 L HA -0.022 nan 4.340 nan 0.000 0.284 304 L C 0.041 176.854 176.870 -0.095 0.000 1.089 304 L CA -0.757 54.035 54.840 -0.081 0.000 0.836 304 L CB 0.468 42.529 42.059 0.003 0.000 1.184 304 L HN -0.479 7.741 8.230 0.058 0.044 0.444 305 K N 7.581 127.774 120.400 -0.346 0.000 2.044 305 K HA -0.525 nan 4.320 nan 0.000 0.210 305 K C 1.949 178.506 176.600 -0.072 0.000 1.049 305 K CA 4.466 60.523 56.287 -0.383 0.000 0.927 305 K CB -0.371 31.846 32.500 -0.472 0.000 0.713 305 K HN 0.265 8.259 8.250 -0.426 0.000 0.443 306 S N -1.148 114.526 115.700 -0.043 0.000 2.356 306 S HA -0.333 nan 4.470 nan 0.000 0.223 306 S C 2.032 176.697 174.600 0.109 0.000 1.032 306 S CA 3.077 61.294 58.200 0.027 0.000 1.005 306 S CB -0.170 63.043 63.200 0.021 0.000 0.867 306 S HN 0.183 8.442 8.310 -0.085 0.000 0.449 307 Y N 2.685 122.979 120.300 -0.010 0.000 2.314 307 Y HA -0.161 nan 4.550 nan 0.000 0.293 307 Y C 1.379 177.306 175.900 0.045 0.000 1.129 307 Y CA 1.065 59.173 58.100 0.014 0.000 1.201 307 Y CB -0.011 38.454 38.460 0.009 0.000 0.999 307 Y HN -0.788 7.607 8.280 0.191 0.000 0.541 308 E N 0.011 120.241 120.200 0.050 0.000 2.110 308 E HA -0.413 nan 4.350 nan 0.000 0.193 308 E C 2.252 178.855 176.600 0.005 0.000 0.988 308 E CA 2.901 59.323 56.400 0.035 0.000 0.804 308 E CB -0.674 29.180 29.700 0.257 0.000 0.745 308 E HN 0.005 8.443 8.360 0.129 0.000 0.458 309 E N -1.386 118.836 120.200 0.038 0.000 2.204 309 E HA -0.271 nan 4.350 nan 0.000 0.195 309 E C 1.830 178.413 176.600 -0.027 0.000 0.990 309 E CA 2.373 58.788 56.400 0.025 0.000 0.821 309 E CB -0.237 29.488 29.700 0.041 0.000 0.750 309 E HN -0.359 8.038 8.360 0.061 0.000 0.477 310 E N -0.689 119.465 120.200 -0.078 0.000 2.112 310 E HA -0.148 nan 4.350 nan 0.000 0.190 310 E C 1.988 178.487 176.600 -0.168 0.000 0.979 310 E CA 1.990 58.326 56.400 -0.106 0.000 0.814 310 E CB 0.008 29.651 29.700 -0.094 0.000 0.762 310 E HN -0.719 7.462 8.360 -0.083 0.129 0.460 311 L N -0.340 120.716 121.223 -0.278 0.000 2.156 311 L HA -0.191 nan 4.340 nan 0.000 0.208 311 L C 1.831 178.643 176.870 -0.096 0.000 1.095 311 L CA 2.443 57.145 54.840 -0.230 0.000 0.770 311 L CB -0.091 41.795 42.059 -0.288 0.000 0.914 311 L HN -0.150 7.791 8.230 -0.345 0.082 0.439 312 A N -2.893 119.887 122.820 -0.066 0.000 2.248 312 A HA -0.159 nan 4.320 nan 0.000 0.210 312 A C 0.554 178.117 177.584 -0.034 0.000 1.174 312 A CA 1.701 53.721 52.037 -0.028 0.000 0.750 312 A CB -1.205 17.792 19.000 -0.005 0.000 0.780 312 A HN 0.039 8.120 8.150 -0.076 0.023 0.478 313 K N -2.338 118.036 120.400 -0.045 0.000 2.365 313 K HA -0.143 nan 4.320 nan 0.000 0.199 313 K C 0.159 176.728 176.600 -0.051 0.000 1.045 313 K CA 1.161 57.423 56.287 -0.042 0.000 0.962 313 K CB 0.080 32.556 32.500 -0.039 0.000 0.759 313 K HN -0.784 7.347 8.250 -0.058 0.084 0.469 314 D N 0.775 121.143 120.400 -0.054 0.000 2.339 314 D HA 0.303 nan 4.640 nan 0.000 0.241 314 D C -0.804 175.447 176.300 -0.083 0.000 1.183 314 D CA -3.200 50.756 54.000 -0.073 0.000 0.859 314 D CB 0.746 41.514 40.800 -0.054 0.000 1.067 314 D HN -0.433 7.761 8.370 -0.049 0.146 0.484 315 P HA -0.229 nan 4.420 nan 0.000 0.217 315 P C 1.500 178.729 177.300 -0.118 0.000 1.148 315 P CA 1.926 64.966 63.100 -0.100 0.000 0.828 315 P CB 0.318 31.952 31.700 -0.110 0.000 0.783 316 R N -2.413 117.952 120.500 -0.224 0.000 2.092 316 R HA -0.242 nan 4.340 nan 0.000 0.231 316 R C 2.738 179.038 176.300 -0.000 0.000 1.119 316 R CA 3.265 59.163 56.100 -0.337 0.000 0.970 316 R CB -0.394 29.309 30.300 -0.995 0.000 0.864 316 R HN -0.138 8.196 8.270 -0.262 -0.221 0.440 317 I N -0.385 120.229 120.570 0.072 0.000 2.233 317 I HA -0.294 nan 4.170 nan 0.000 0.243 317 I C 1.569 177.742 176.117 0.094 0.000 1.093 317 I CA 0.912 62.320 61.300 0.181 0.000 1.380 317 I CB -1.291 36.777 38.000 0.114 0.000 1.067 317 I HN -0.457 7.785 8.210 -0.021 -0.045 0.413 318 A N -0.294 122.544 122.820 0.030 0.000 1.917 318 A HA -0.402 nan 4.320 nan 0.000 0.219 318 A C 2.031 179.623 177.584 0.013 0.000 1.182 318 A CA 3.422 55.465 52.037 0.009 0.000 0.633 318 A CB -1.006 17.987 19.000 -0.012 0.000 0.819 318 A HN -0.188 7.966 8.150 0.007 0.000 0.448 319 A N -3.340 119.495 122.820 0.026 0.000 1.898 319 A HA -0.299 nan 4.320 nan 0.000 0.216 319 A C 1.988 179.610 177.584 0.063 0.000 1.181 319 A CA 3.276 55.333 52.037 0.033 0.000 0.620 319 A CB -0.779 18.246 19.000 0.041 0.000 0.819 319 A HN -0.007 8.153 8.150 0.017 0.000 0.442 320 T N 2.559 117.190 114.554 0.129 0.000 2.684 320 T HA -0.366 nan 4.350 nan 0.000 0.267 320 T C 1.941 176.681 174.700 0.066 0.000 1.036 320 T CA 4.622 66.807 62.100 0.142 0.000 1.148 320 T CB -0.393 68.607 68.868 0.219 0.000 0.863 320 T HN -0.480 7.786 8.240 0.162 0.072 0.436 321 M N 1.215 120.838 119.600 0.038 0.000 2.175 321 M HA -0.256 nan 4.480 nan 0.000 0.264 321 M C 1.128 177.382 176.300 -0.077 0.000 1.063 321 M CA 2.131 57.420 55.300 -0.019 0.000 1.119 321 M CB -0.281 32.283 32.600 -0.060 0.000 1.377 321 M HN 0.093 8.416 8.290 0.054 0.000 0.415 322 E N -0.026 120.138 120.200 -0.059 0.000 2.072 322 E HA -0.415 nan 4.350 nan 0.000 0.191 322 E C 2.497 179.042 176.600 -0.091 0.000 0.985 322 E CA 3.498 59.848 56.400 -0.084 0.000 0.801 322 E CB -0.258 29.409 29.700 -0.056 0.000 0.750 322 E HN -0.026 8.235 8.360 -0.027 0.082 0.452 323 N N -0.966 117.703 118.700 -0.051 0.000 2.188 323 N HA -0.267 nan 4.740 nan 0.000 0.184 323 N C 1.564 177.034 175.510 -0.067 0.000 1.018 323 N CA 2.703 55.725 53.050 -0.047 0.000 0.858 323 N CB -0.225 38.256 38.487 -0.009 0.000 0.989 323 N HN -0.078 8.288 8.380 -0.023 0.000 0.426 324 A N -1.016 121.768 122.820 -0.060 0.000 1.902 324 A HA -0.196 nan 4.320 nan 0.000 0.217 324 A C 2.735 180.133 177.584 -0.309 0.000 1.181 324 A CA 2.571 54.571 52.037 -0.063 0.000 0.623 324 A CB -0.412 18.627 19.000 0.065 0.000 0.818 324 A HN -0.210 7.845 8.150 -0.035 0.074 0.443 325 Q N -2.992 116.535 119.800 -0.455 0.000 2.291 325 Q HA -0.248 nan 4.340 nan 0.000 0.205 325 Q C 0.833 176.598 176.000 -0.392 0.000 0.970 325 Q CA 2.197 57.584 55.803 -0.694 0.000 0.876 325 Q CB 0.079 28.498 28.738 -0.533 0.000 0.935 325 Q HN -0.192 7.892 8.270 -0.309 0.000 0.455 326 K N -3.502 116.758 120.400 -0.232 0.000 2.374 326 K HA 0.120 nan 4.320 nan 0.000 0.196 326 K C -0.384 176.156 176.600 -0.101 0.000 1.023 326 K CA -0.443 55.759 56.287 -0.142 0.000 1.103 326 K CB 0.272 32.712 32.500 -0.100 0.000 0.848 326 K HN -0.708 7.272 8.250 -0.206 0.147 0.528 327 G N -1.432 107.307 108.800 -0.101 0.000 2.510 327 G HA2 0.260 nan 3.960 nan 0.000 0.280 327 G HA3 0.260 nan 3.960 nan 0.000 0.280 327 G C -1.606 173.309 174.900 0.024 0.000 1.386 327 G CA -1.592 43.491 45.100 -0.028 0.000 1.047 327 G HN -0.562 7.431 8.290 -0.157 0.203 0.527 328 E N -0.452 119.809 120.200 0.103 0.000 2.145 328 E HA 0.250 nan 4.350 nan 0.000 0.262 328 E C -0.155 176.632 176.600 0.312 0.000 0.883 328 E CA -2.243 54.272 56.400 0.191 0.000 0.748 328 E CB 2.465 32.296 29.700 0.219 0.000 1.140 328 E HN 0.545 8.850 8.360 0.099 0.114 0.417 329 I N 7.095 127.807 120.570 0.236 0.000 2.752 329 I HA -0.272 nan 4.170 nan 0.000 0.289 329 I C -0.425 175.894 176.117 0.337 0.000 1.197 329 I CA 0.890 62.332 61.300 0.237 0.000 1.432 329 I CB 0.480 38.531 38.000 0.085 0.000 1.359 329 I HN 0.695 9.005 8.210 0.166 0.000 0.571 330 M N 8.600 128.437 119.600 0.395 0.000 2.268 330 M HA 0.203 nan 4.480 nan 0.000 0.349 330 M C -1.994 174.374 176.300 0.113 0.000 1.485 330 M CA -1.192 54.207 55.300 0.166 0.000 1.094 330 M CB 1.000 33.648 32.600 0.079 0.000 1.843 330 M HN -0.175 8.381 8.290 0.444 0.000 0.460 331 P HA -0.082 nan 4.420 nan 0.000 0.265 331 P C -1.439 175.701 177.300 -0.266 0.000 1.193 331 P CA 0.463 63.297 63.100 -0.444 0.000 0.765 331 P CB 0.052 31.255 31.700 -0.828 0.000 0.823 332 N N -0.226 118.421 118.700 -0.089 0.000 2.268 332 N HA -0.067 nan 4.740 nan 0.000 0.204 332 N C -0.659 174.876 175.510 0.042 0.000 1.124 332 N CA -0.518 52.542 53.050 0.017 0.000 0.838 332 N CB -0.510 38.111 38.487 0.224 0.000 0.994 332 N HN 0.198 8.582 8.380 0.007 0.000 0.489 333 I N -6.699 113.800 120.570 -0.119 0.000 2.612 333 I HA 0.491 nan 4.170 nan 0.000 0.295 333 I C 0.054 176.100 176.117 -0.118 0.000 1.011 333 I CA -3.079 58.167 61.300 -0.090 0.000 1.326 333 I CB 0.525 38.346 38.000 -0.299 0.000 1.427 333 I HN -0.823 7.107 8.210 -0.319 0.089 0.537 334 P HA -0.165 nan 4.420 nan 0.000 0.222 334 P C 0.926 178.203 177.300 -0.037 0.000 1.147 334 P CA 2.462 65.547 63.100 -0.024 0.000 0.790 334 P CB -0.030 31.674 31.700 0.008 0.000 0.780 335 Q N -2.325 117.404 119.800 -0.120 0.000 2.364 335 Q HA -0.186 nan 4.340 nan 0.000 0.207 335 Q C 2.056 178.104 176.000 0.079 0.000 0.970 335 Q CA 3.003 58.770 55.803 -0.060 0.000 0.888 335 Q CB -1.272 27.331 28.738 -0.225 0.000 0.951 335 Q HN 0.084 8.204 8.270 -0.195 0.033 0.469 336 M N -0.914 118.667 119.600 -0.032 0.000 2.358 336 M HA -0.245 nan 4.480 nan 0.000 0.264 336 M C 1.454 177.801 176.300 0.078 0.000 1.064 336 M CA 1.364 56.649 55.300 -0.026 0.000 1.093 336 M CB -0.842 31.638 32.600 -0.199 0.000 1.401 336 M HN -0.382 7.771 8.290 -0.150 0.047 0.440 337 S N -0.405 115.402 115.700 0.180 0.000 2.402 337 S HA -0.224 nan 4.470 nan 0.000 0.229 337 S C 1.679 176.433 174.600 0.257 0.000 1.021 337 S CA 3.606 61.973 58.200 0.279 0.000 0.974 337 S CB -0.559 62.742 63.200 0.168 0.000 0.800 337 S HN -0.329 8.015 8.310 0.113 0.033 0.484 338 A N 1.806 124.747 122.820 0.201 0.000 1.929 338 A HA -0.175 nan 4.320 nan 0.000 0.216 338 A C 1.492 179.216 177.584 0.233 0.000 1.176 338 A CA 2.583 54.738 52.037 0.198 0.000 0.628 338 A CB -0.924 18.180 19.000 0.173 0.000 0.816 338 A HN -0.472 7.668 8.150 0.179 0.118 0.444 339 F N -0.184 119.774 119.950 0.014 0.000 2.069 339 F HA -0.430 nan 4.527 nan 0.000 0.298 339 F C 0.932 176.676 175.800 -0.094 0.000 1.113 339 F CA 3.942 61.840 58.000 -0.170 0.000 1.214 339 F CB 0.089 38.825 39.000 -0.440 0.000 0.978 339 F HN -0.751 7.652 8.300 0.307 0.081 0.474 340 W N -3.204 118.249 121.300 0.255 0.000 2.335 340 W HA -0.555 nan 4.660 nan 0.000 0.311 340 W C 2.103 178.663 176.519 0.068 0.000 1.213 340 W CA 3.222 60.651 57.345 0.140 0.000 1.274 340 W CB -0.124 29.429 29.460 0.155 0.000 1.148 340 W HN -0.084 8.206 8.180 0.183 0.000 0.498 341 Y N -0.572 119.876 120.300 0.247 0.000 2.114 341 Y HA -0.602 nan 4.550 nan 0.000 0.284 341 Y C 1.503 177.431 175.900 0.047 0.000 1.143 341 Y CA 3.782 61.960 58.100 0.130 0.000 1.135 341 Y CB 0.064 38.591 38.460 0.111 0.000 0.980 341 Y HN -0.675 7.919 8.280 0.522 0.000 0.499 342 A N -1.261 121.628 122.820 0.115 0.000 1.898 342 A HA -0.339 nan 4.320 nan 0.000 0.216 342 A C 2.116 179.601 177.584 -0.165 0.000 1.181 342 A CA 3.128 55.140 52.037 -0.042 0.000 0.620 342 A CB -0.577 18.433 19.000 0.017 0.000 0.819 342 A HN 0.091 8.395 8.150 0.257 0.000 0.442 343 V N -0.448 119.313 119.914 -0.255 0.000 2.548 343 V HA -0.422 nan 4.120 nan 0.000 0.249 343 V C 1.829 177.876 176.094 -0.077 0.000 1.055 343 V CA 4.126 66.278 62.300 -0.247 0.000 1.065 343 V CB -1.192 30.312 31.823 -0.531 0.000 0.681 343 V HN 0.329 8.327 8.190 -0.320 0.000 0.462 344 R N -1.059 119.423 120.500 -0.030 0.000 2.081 344 R HA -0.402 nan 4.340 nan 0.000 0.235 344 R C 1.882 178.144 176.300 -0.064 0.000 1.131 344 R CA 3.980 60.086 56.100 0.009 0.000 0.960 344 R CB -0.193 30.121 30.300 0.023 0.000 0.856 344 R HN -0.051 8.204 8.270 -0.025 0.000 0.436 345 T N 1.114 115.573 114.554 -0.158 0.000 2.812 345 T HA -0.184 nan 4.350 nan 0.000 0.264 345 T C 1.730 176.372 174.700 -0.096 0.000 1.042 345 T CA 4.445 66.447 62.100 -0.164 0.000 1.140 345 T CB -0.503 68.201 68.868 -0.274 0.000 0.870 345 T HN -0.621 7.486 8.240 -0.213 0.006 0.445 346 A N 1.113 123.881 122.820 -0.087 0.000 1.883 346 A HA -0.226 nan 4.320 nan 0.000 0.217 346 A C 1.827 179.390 177.584 -0.035 0.000 1.186 346 A CA 3.330 55.333 52.037 -0.057 0.000 0.624 346 A CB -0.846 18.118 19.000 -0.060 0.000 0.822 346 A HN -0.010 8.074 8.150 -0.110 0.000 0.444 347 V N -0.400 119.504 119.914 -0.018 0.000 2.307 347 V HA -0.444 nan 4.120 nan 0.000 0.245 347 V C 1.918 178.005 176.094 -0.011 0.000 1.045 347 V CA 4.615 66.916 62.300 0.002 0.000 1.024 347 V CB -0.617 31.234 31.823 0.048 0.000 0.651 347 V HN -0.160 8.018 8.190 -0.019 0.000 0.449 348 I N -0.823 119.737 120.570 -0.016 0.000 2.264 348 I HA -0.640 nan 4.170 nan 0.000 0.248 348 I C 1.768 177.867 176.117 -0.030 0.000 1.111 348 I CA 4.227 65.513 61.300 -0.024 0.000 1.382 348 I CB -0.505 37.478 38.000 -0.028 0.000 1.060 348 I HN -0.281 7.920 8.210 -0.015 0.000 0.418 349 N N -0.225 118.454 118.700 -0.034 0.000 2.216 349 N HA -0.197 nan 4.740 nan 0.000 0.183 349 N C 2.008 177.501 175.510 -0.028 0.000 1.017 349 N CA 2.987 56.018 53.050 -0.031 0.000 0.861 349 N CB -0.699 37.768 38.487 -0.034 0.000 0.986 349 N HN -0.193 8.149 8.380 -0.039 0.015 0.428 350 A N -0.655 122.148 122.820 -0.028 0.000 1.970 350 A HA -0.008 nan 4.320 nan 0.000 0.216 350 A C 2.301 179.867 177.584 -0.031 0.000 1.170 350 A CA 2.538 54.558 52.037 -0.028 0.000 0.645 350 A CB -0.768 18.215 19.000 -0.028 0.000 0.816 350 A HN -0.191 7.942 8.150 -0.029 0.000 0.447 351 A N -0.897 121.904 122.820 -0.032 0.000 1.930 351 A HA -0.148 nan 4.320 nan 0.000 0.217 351 A C 1.488 179.050 177.584 -0.036 0.000 1.175 351 A CA 2.705 54.720 52.037 -0.037 0.000 0.627 351 A CB -0.231 18.746 19.000 -0.038 0.000 0.815 351 A HN 0.102 8.214 8.150 -0.029 0.020 0.443 352 S N -4.427 111.253 115.700 -0.032 0.000 2.634 352 S HA -0.022 nan 4.470 nan 0.000 0.221 352 S C 1.036 175.620 174.600 -0.027 0.000 0.952 352 S CA -0.570 57.612 58.200 -0.029 0.000 0.930 352 S CB 0.369 63.553 63.200 -0.027 0.000 0.780 352 S HN -0.647 7.645 8.310 -0.030 0.000 0.498 353 G N 1.546 110.330 108.800 -0.027 0.000 2.196 353 G HA2 -0.394 nan 3.960 nan 0.000 0.268 353 G HA3 -0.394 nan 3.960 nan 0.000 0.268 353 G C 0.387 175.275 174.900 -0.020 0.000 0.975 353 G CA 1.233 46.319 45.100 -0.024 0.000 0.648 353 G HN -0.321 7.752 8.290 -0.029 0.199 0.538 354 R N -0.394 120.094 120.500 -0.020 0.000 2.159 354 R HA -0.256 nan 4.340 nan 0.000 0.237 354 R C 0.156 176.447 176.300 -0.016 0.000 1.131 354 R CA 1.787 57.877 56.100 -0.017 0.000 0.982 354 R CB 0.532 30.821 30.300 -0.018 0.000 0.868 354 R HN -0.269 7.892 8.270 -0.022 0.095 0.453 355 Q N -3.951 115.839 119.800 -0.018 0.000 2.416 355 Q HA 0.166 nan 4.340 nan 0.000 0.281 355 Q C -1.993 173.997 176.000 -0.017 0.000 1.067 355 Q CA -1.067 54.727 55.803 -0.016 0.000 0.809 355 Q CB 4.120 32.847 28.738 -0.018 0.000 1.418 355 Q HN -0.562 7.661 8.270 -0.020 0.035 0.411 356 T N -2.557 111.988 114.554 -0.014 0.000 2.788 356 T HA 0.158 nan 4.350 nan 0.000 0.287 356 T C 1.249 175.940 174.700 -0.016 0.000 1.007 356 T CA -1.085 61.007 62.100 -0.014 0.000 1.005 356 T CB 1.653 70.515 68.868 -0.010 0.000 1.012 356 T HN -0.191 8.042 8.240 -0.012 0.000 0.530 357 V N 1.106 121.010 119.914 -0.016 0.000 2.287 357 V HA -0.408 nan 4.120 nan 0.000 0.248 357 V C 1.791 177.875 176.094 -0.016 0.000 1.053 357 V CA 4.418 66.707 62.300 -0.018 0.000 1.027 357 V CB -0.518 31.295 31.823 -0.017 0.000 0.646 357 V HN 0.477 8.658 8.190 -0.015 0.000 0.447 358 D N -1.848 118.546 120.400 -0.011 0.000 2.104 358 D HA -0.275 nan 4.640 nan 0.000 0.194 358 D C 2.880 179.175 176.300 -0.009 0.000 0.994 358 D CA 3.773 57.768 54.000 -0.008 0.000 0.830 358 D CB -0.697 40.101 40.800 -0.004 0.000 0.959 358 D HN 0.249 8.614 8.370 -0.009 0.000 0.452 359 E N -0.459 119.736 120.200 -0.009 0.000 2.072 359 E HA -0.222 nan 4.350 nan 0.000 0.191 359 E C 2.280 178.872 176.600 -0.012 0.000 0.985 359 E CA 2.534 58.929 56.400 -0.008 0.000 0.801 359 E CB -0.205 29.491 29.700 -0.007 0.000 0.750 359 E HN -0.704 7.651 8.360 -0.009 0.000 0.452 360 A N -0.106 122.704 122.820 -0.017 0.000 1.902 360 A HA -0.210 nan 4.320 nan 0.000 0.217 360 A C 2.485 180.053 177.584 -0.027 0.000 1.181 360 A CA 3.212 55.235 52.037 -0.023 0.000 0.623 360 A CB -0.633 18.351 19.000 -0.027 0.000 0.818 360 A HN 0.132 8.272 8.150 -0.017 0.000 0.443 361 L N -3.011 118.197 121.223 -0.025 0.000 2.109 361 L HA -0.364 nan 4.340 nan 0.000 0.207 361 L C 1.969 178.825 176.870 -0.024 0.000 1.086 361 L CA 2.489 57.313 54.840 -0.028 0.000 0.760 361 L CB -0.414 41.630 42.059 -0.026 0.000 0.910 361 L HN -0.153 8.064 8.230 -0.022 0.000 0.437 362 K N 0.326 120.717 120.400 -0.015 0.000 2.032 362 K HA -0.461 nan 4.320 nan 0.000 0.209 362 K C 2.073 178.670 176.600 -0.005 0.000 1.048 362 K CA 3.892 60.174 56.287 -0.008 0.000 0.927 362 K CB -0.315 32.183 32.500 -0.003 0.000 0.712 362 K HN -0.108 8.133 8.250 -0.014 0.000 0.441 363 D N -1.127 119.269 120.400 -0.005 0.000 2.117 363 D HA -0.260 nan 4.640 nan 0.000 0.197 363 D C 2.247 178.547 176.300 0.000 0.000 0.987 363 D CA 3.192 57.193 54.000 0.001 0.000 0.829 363 D CB -0.587 40.213 40.800 -0.000 0.000 0.961 363 D HN -0.331 8.033 8.370 -0.009 0.000 0.460 364 A N -0.822 121.986 122.820 -0.021 0.000 1.877 364 A HA -0.293 nan 4.320 nan 0.000 0.216 364 A C 2.074 179.639 177.584 -0.031 0.000 1.186 364 A CA 3.115 55.129 52.037 -0.039 0.000 0.620 364 A CB -0.637 18.311 19.000 -0.088 0.000 0.822 364 A HN -0.469 7.664 8.150 -0.027 0.000 0.443 365 Q N -1.689 118.093 119.800 -0.030 0.000 2.061 365 Q HA -0.364 nan 4.340 nan 0.000 0.204 365 Q C 2.397 178.402 176.000 0.009 0.000 0.984 365 Q CA 3.232 59.022 55.803 -0.020 0.000 0.846 365 Q CB -0.225 28.502 28.738 -0.019 0.000 0.902 365 Q HN -0.093 8.159 8.270 -0.031 0.000 0.421 366 T N 2.611 117.175 114.554 0.016 0.000 2.652 366 T HA -0.416 nan 4.350 nan 0.000 0.267 366 T C 1.938 176.664 174.700 0.044 0.000 1.039 366 T CA 4.516 66.635 62.100 0.030 0.000 1.153 366 T CB -0.564 68.320 68.868 0.027 0.000 0.863 366 T HN -0.354 7.891 8.240 0.008 0.000 0.428 367 R N 0.775 121.304 120.500 0.047 0.000 2.105 367 R HA -0.279 nan 4.340 nan 0.000 0.239 367 R C 2.072 178.421 176.300 0.081 0.000 1.135 367 R CA 2.800 58.942 56.100 0.069 0.000 0.967 367 R CB -0.209 30.144 30.300 0.088 0.000 0.861 367 R HN -0.354 7.938 8.270 0.037 0.000 0.442 368 I N -4.473 116.140 120.570 0.071 0.000 2.584 368 I HA -0.211 nan 4.170 nan 0.000 0.255 368 I C 0.987 177.188 176.117 0.140 0.000 1.145 368 I CA 2.152 63.515 61.300 0.106 0.000 1.462 368 I CB 0.713 38.745 38.000 0.053 0.000 1.102 368 I HN -0.365 7.751 8.210 0.045 0.120 0.433 369 T N -5.837 108.780 114.554 0.104 0.000 3.129 369 T HA -0.009 nan 4.350 nan 0.000 0.251 369 T C 0.960 175.718 174.700 0.096 0.000 1.117 369 T CA -0.148 62.023 62.100 0.119 0.000 1.034 369 T CB 0.170 69.094 68.868 0.093 0.000 0.968 369 T HN -0.328 7.956 8.240 0.073 0.000 0.526 370 K N 0.000 120.449 120.400 0.081 0.000 2.780 370 K HA 0.000 nan 4.320 nan 0.000 0.191 370 K CA 0.000 56.325 56.287 0.064 0.000 0.838 370 K CB 0.000 32.534 32.500 0.057 0.000 1.064 370 K HN 0.000 8.133 8.250 0.082 0.166 0.543