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 2ogj_1_D DATA FIRST_RESID 16 DATA SEQUENCE PILLTNVKPV GFGKGXXQSS TDILIGGDGK IAAVXXXLQA XXXXQRIDXX DATA SEQUENCE XAFISPGWVD LHVHIWHGGT DISIRPSECG AERGVTTLVD AGSAGEANFH DATA SEQUENCE GFREYIIEPS RERIKAFLNL XSIGLVACNR VPELRDIKDI DLDRILECYA DATA SEQUENCE ENSEHIVGLX VRASHVITGS WGVTPVKLGK KIAKILKVPX XVHVGEPPAL DATA SEQUENCE YDEVLEILGP GDVVTHCFNG KSGSSIXEDE DLFNLAERCA XEGIRLDIGH DATA SEQUENCE GGASFSFKVA EAAIARGLLP FSISTDLHGH SXNFPVWDLA TTXSKLLSVD DATA SEQUENCE XPFENVVEAV TRNPASVIRL DXENRLDVGQ RADFTVFDLV DADLEATDSN DATA SEQUENCE GDVSRLKRLF EPRYAVIGAE AIAASRYI 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 16 P HA 0.000 nan 4.420 nan 0.000 0.216 16 P C 0.000 177.296 177.300 -0.006 0.000 1.155 16 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 16 P CB 0.000 31.701 31.700 0.002 0.000 0.726 17 I N 1.127 121.694 120.570 -0.006 0.000 2.498 17 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 17 I C -1.157 174.945 176.117 -0.024 0.000 1.032 17 I CA -0.780 60.509 61.300 -0.019 0.000 1.073 17 I CB 2.271 40.262 38.000 -0.016 0.000 1.251 17 I HN -0.099 nan 8.210 nan 0.000 0.426 18 L N 7.459 128.654 121.223 -0.046 0.000 2.372 18 L HA 0.659 4.999 4.340 -0.000 0.000 0.274 18 L C -1.628 175.188 176.870 -0.090 0.000 0.988 18 L CA -0.356 54.451 54.840 -0.054 0.000 0.833 18 L CB 1.175 43.207 42.059 -0.045 0.000 1.236 18 L HN 0.347 nan 8.230 nan 0.000 0.410 19 L N 4.512 125.669 121.223 -0.109 0.000 2.326 19 L HA 0.684 5.024 4.340 -0.000 0.000 0.278 19 L C 0.303 177.094 176.870 -0.132 0.000 1.092 19 L CA 0.427 55.173 54.840 -0.155 0.000 0.810 19 L CB 1.651 43.592 42.059 -0.196 0.000 1.153 19 L HN 0.703 nan 8.230 nan 0.000 0.439 20 T N 2.601 117.080 114.554 -0.126 0.000 2.893 20 T HA 0.347 4.697 4.350 -0.000 0.000 0.291 20 T C -0.191 174.449 174.700 -0.099 0.000 1.028 20 T CA -0.728 61.312 62.100 -0.100 0.000 0.995 20 T CB 1.424 70.246 68.868 -0.076 0.000 1.051 20 T HN 0.613 nan 8.240 nan 0.000 0.470 21 N N 1.331 119.975 118.700 -0.093 0.000 2.608 21 N HA -0.169 4.571 4.740 -0.000 0.000 0.273 21 N C -1.180 174.260 175.510 -0.117 0.000 1.133 21 N CA 0.348 53.340 53.050 -0.096 0.000 0.726 21 N CB -0.676 37.763 38.487 -0.080 0.000 0.890 21 N HN 0.586 nan 8.380 nan 0.000 0.548 22 V N 3.175 123.010 119.914 -0.131 0.000 2.777 22 V HA 0.479 4.599 4.120 -0.000 0.000 0.306 22 V C -0.685 175.327 176.094 -0.137 0.000 1.112 22 V CA -0.883 61.328 62.300 -0.149 0.000 0.917 22 V CB 1.792 33.530 31.823 -0.142 0.000 1.018 22 V HN 0.360 nan 8.190 nan 0.000 0.426 23 K N 6.056 126.358 120.400 -0.163 0.000 2.253 23 K HA 0.605 4.925 4.320 -0.000 0.000 0.277 23 K C -2.884 173.769 176.600 0.088 0.000 1.053 23 K CA -1.748 54.492 56.287 -0.079 0.000 0.892 23 K CB 1.224 33.626 32.500 -0.162 0.000 1.102 23 K HN 0.356 nan 8.250 nan 0.000 0.469 24 P HA -0.087 nan 4.420 nan 0.000 0.264 24 P C -0.866 176.689 177.300 0.425 0.000 1.193 24 P CA -0.276 62.955 63.100 0.220 0.000 0.763 24 P CB 0.801 32.490 31.700 -0.018 0.000 0.810 25 V N -0.051 120.257 119.914 0.656 0.000 2.969 25 V HA 0.869 4.989 4.120 -0.000 0.000 0.304 25 V C 0.422 176.717 176.094 0.336 0.000 1.192 25 V CA -0.339 62.282 62.300 0.535 0.000 0.962 25 V CB 1.355 33.480 31.823 0.504 0.000 1.045 25 V HN 0.753 nan 8.190 nan 0.000 0.428 26 G N 1.997 110.899 108.800 0.171 0.000 2.167 26 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.194 26 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.194 26 G C -0.781 173.867 174.900 -0.420 0.000 1.027 26 G CA 0.268 45.262 45.100 -0.177 0.000 0.717 26 G HN 1.262 nan 8.290 nan 0.000 0.501 27 F N -0.837 119.175 119.950 0.104 0.000 2.603 27 F HA 0.710 5.237 4.527 -0.000 0.000 0.317 27 F C 1.526 177.369 175.800 0.072 0.000 1.066 27 F CA -0.278 57.776 58.000 0.090 0.000 0.941 27 F CB 0.667 39.728 39.000 0.102 0.000 1.291 27 F HN 0.148 nan 8.300 nan 0.000 0.472 28 G N 0.763 109.710 108.800 0.246 0.000 2.957 28 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.207 28 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.207 28 G C 0.662 175.648 174.900 0.144 0.000 1.389 28 G CA 1.047 46.239 45.100 0.153 0.000 0.796 28 G HN 0.404 nan 8.290 nan 0.000 0.704 29 K N 1.050 121.524 120.400 0.123 0.000 3.320 29 K HA 0.308 4.628 4.320 -0.000 0.000 0.194 29 K C 0.317 176.959 176.600 0.070 0.000 1.085 29 K CA 0.192 56.536 56.287 0.095 0.000 0.901 29 K CB 0.464 33.007 32.500 0.072 0.000 0.765 29 K HN 0.405 nan 8.250 nan 0.000 0.480 34 S N 1.212 116.921 115.700 0.015 0.000 2.563 34 S HA 0.188 4.658 4.470 -0.000 0.000 0.284 34 S C 0.362 174.941 174.600 -0.035 0.000 1.331 34 S CA 0.455 58.647 58.200 -0.012 0.000 1.047 34 S CB 0.658 63.848 63.200 -0.017 0.000 0.859 34 S HN 0.445 nan 8.310 nan 0.000 0.514 35 S N 4.128 119.794 115.700 -0.056 0.000 2.559 35 S HA 0.413 4.883 4.470 -0.000 0.000 0.282 35 S C 0.364 174.919 174.600 -0.074 0.000 1.336 35 S CA -0.200 57.952 58.200 -0.079 0.000 1.037 35 S CB 0.458 63.602 63.200 -0.095 0.000 0.853 35 S HN 0.874 nan 8.310 nan 0.000 0.523 36 T N 0.577 115.078 114.554 -0.087 0.000 2.644 36 T HA 0.608 4.958 4.350 -0.000 0.000 0.288 36 T C -2.072 172.568 174.700 -0.101 0.000 1.332 36 T CA -0.412 61.636 62.100 -0.087 0.000 1.077 36 T CB 0.984 69.798 68.868 -0.091 0.000 1.799 36 T HN 0.933 nan 8.240 nan 0.000 0.451 37 D N -0.008 120.329 120.400 -0.105 0.000 2.720 37 D HA 0.495 5.135 4.640 -0.000 0.000 0.239 37 D C -1.316 174.918 176.300 -0.110 0.000 1.218 37 D CA -0.670 53.261 54.000 -0.115 0.000 0.748 37 D CB 0.394 41.138 40.800 -0.093 0.000 1.387 37 D HN 0.838 nan 8.370 nan 0.000 0.438 38 I N -2.187 118.309 120.570 -0.124 0.000 2.865 38 I HA 0.750 4.920 4.170 -0.000 0.000 0.302 38 I C -1.557 174.527 176.117 -0.054 0.000 1.140 38 I CA -1.399 59.848 61.300 -0.088 0.000 1.021 38 I CB 2.156 40.092 38.000 -0.108 0.000 1.233 38 I HN 0.327 nan 8.210 nan 0.000 0.427 39 L N 5.899 127.110 121.223 -0.019 0.000 2.329 39 L HA 0.689 5.029 4.340 -0.000 0.000 0.279 39 L C -0.643 176.244 176.870 0.027 0.000 1.014 39 L CA -0.561 54.276 54.840 -0.005 0.000 0.814 39 L CB 1.714 43.767 42.059 -0.010 0.000 1.257 39 L HN 0.659 nan 8.230 nan 0.000 0.424 40 I N 1.487 122.078 120.570 0.034 0.000 2.474 40 I HA 0.798 4.968 4.170 -0.000 0.000 0.294 40 I C 0.572 176.705 176.117 0.027 0.000 1.005 40 I CA -0.726 60.604 61.300 0.050 0.000 1.113 40 I CB 1.661 39.708 38.000 0.079 0.000 1.289 40 I HN 0.663 nan 8.210 nan 0.000 0.436 41 G N 3.061 111.875 108.800 0.023 0.000 2.631 41 G HA2 0.325 4.285 3.960 -0.000 0.000 0.271 41 G HA3 0.325 4.285 3.960 -0.000 0.000 0.271 41 G C 0.891 175.798 174.900 0.011 0.000 1.302 41 G CA -0.152 44.956 45.100 0.013 0.000 1.002 41 G HN 0.977 nan 8.290 nan 0.000 0.519 42 G N -0.602 108.202 108.800 0.007 0.000 2.484 42 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.218 42 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.218 42 G C 1.103 176.006 174.900 0.005 0.000 1.130 42 G CA 1.276 46.379 45.100 0.005 0.000 0.784 42 G HN 0.646 nan 8.290 nan 0.000 0.543 43 D N -0.475 119.928 120.400 0.004 0.000 2.363 43 D HA 0.206 4.846 4.640 -0.000 0.000 0.226 43 D C 1.721 178.021 176.300 0.001 0.000 1.020 43 D CA 0.451 54.452 54.000 0.001 0.000 0.892 43 D CB -0.653 40.147 40.800 0.000 0.000 0.900 43 D HN 0.381 nan 8.370 nan 0.000 0.531 44 G N -0.107 108.696 108.800 0.006 0.000 2.143 44 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 44 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 44 G C 0.045 174.948 174.900 0.004 0.000 0.991 44 G CA 0.301 45.405 45.100 0.006 0.000 0.689 44 G HN 0.489 nan 8.290 nan 0.000 0.522 45 K N -0.352 120.055 120.400 0.012 0.000 2.208 45 K HA 0.640 4.960 4.320 -0.000 0.000 0.247 45 K C 0.375 177.001 176.600 0.042 0.000 0.953 45 K CA -1.162 55.134 56.287 0.015 0.000 0.837 45 K CB 1.916 34.420 32.500 0.007 0.000 1.131 45 K HN 0.145 nan 8.250 nan 0.000 0.431 46 I N 2.038 122.646 120.570 0.064 0.000 2.505 46 I HA -0.062 4.108 4.170 -0.000 0.000 0.287 46 I C 0.946 177.095 176.117 0.052 0.000 1.104 46 I CA 0.323 61.677 61.300 0.091 0.000 1.387 46 I CB 0.854 38.938 38.000 0.139 0.000 1.404 46 I HN 0.816 nan 8.210 nan 0.000 0.528 47 A N 5.416 128.259 122.820 0.040 0.000 2.192 47 A HA 0.677 4.996 4.320 -0.000 0.000 0.208 47 A C 0.831 178.423 177.584 0.014 0.000 1.220 47 A CA 0.451 52.501 52.037 0.022 0.000 0.900 47 A CB 0.363 19.372 19.000 0.015 0.000 0.937 47 A HN 0.701 nan 8.150 nan 0.000 0.487 48 A N -1.172 121.655 122.820 0.012 0.000 2.469 48 A HA 0.789 5.109 4.320 -0.000 0.000 0.299 48 A C -0.839 176.739 177.584 -0.011 0.000 1.098 48 A CA -0.169 51.867 52.037 -0.002 0.000 0.737 48 A CB 1.470 20.465 19.000 -0.009 0.000 1.312 48 A HN 1.214 nan 8.150 nan 0.000 0.414 54 Q N 2.248 122.036 119.800 -0.021 0.000 2.934 54 Q HA 1.003 5.342 4.340 -0.000 0.000 0.219 54 Q C -0.597 175.393 176.000 -0.017 0.000 1.024 54 Q CA -0.459 55.333 55.803 -0.018 0.000 0.928 54 Q CB 2.834 31.563 28.738 -0.015 0.000 1.594 54 Q HN 0.918 nan 8.270 nan 0.000 0.485 61 R N 0.375 120.806 120.500 -0.114 0.000 2.854 61 R HA 0.885 5.225 4.340 -0.000 0.000 0.271 61 R C -0.849 175.365 176.300 -0.144 0.000 0.994 61 R CA -0.881 55.113 56.100 -0.177 0.000 0.945 61 R CB 1.954 32.029 30.300 -0.375 0.000 1.194 61 R HN 0.915 nan 8.270 nan 0.000 0.476 62 I N -0.118 120.384 120.570 -0.113 0.000 2.752 62 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 62 I C -1.783 174.339 176.117 0.009 0.000 1.507 62 I CA -0.189 61.073 61.300 -0.064 0.000 1.038 62 I CB 2.214 40.188 38.000 -0.043 0.000 1.390 62 I HN 0.558 nan 8.210 nan 0.000 0.435 68 F N 0.403 120.155 119.950 -0.330 0.000 2.380 68 F HA 0.745 5.272 4.527 -0.000 0.000 0.325 68 F C 0.604 176.232 175.800 -0.287 0.000 1.136 68 F CA -0.090 57.651 58.000 -0.433 0.000 1.171 68 F CB 1.191 39.570 39.000 -1.034 0.000 1.230 68 F HN 0.517 nan 8.300 nan 0.000 0.554 69 I N 1.284 121.961 120.570 0.179 0.000 2.644 69 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 69 I C -1.097 175.289 176.117 0.450 0.000 1.180 69 I CA -0.029 61.414 61.300 0.238 0.000 1.040 69 I CB 1.513 39.523 38.000 0.015 0.000 1.255 69 I HN 0.714 nan 8.210 nan 0.000 0.422 70 S N 5.016 121.003 115.700 0.480 0.000 2.661 70 S HA 0.617 5.087 4.470 -0.000 0.000 0.285 70 S C -2.606 172.151 174.600 0.263 0.000 1.138 70 S CA -1.390 57.009 58.200 0.332 0.000 0.855 70 S CB 1.854 65.273 63.200 0.366 0.000 1.136 70 S HN 0.379 nan 8.310 nan 0.000 0.484 71 P HA 0.150 nan 4.420 nan 0.000 0.261 71 P C 0.521 177.833 177.300 0.021 0.000 1.277 71 P CA 1.803 64.882 63.100 -0.033 0.000 0.748 71 P CB -0.960 30.601 31.700 -0.233 0.000 1.062 72 G N -1.259 107.587 108.800 0.076 0.000 3.445 72 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.680 72 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.680 72 G C -0.576 174.401 174.900 0.128 0.000 0.972 72 G CA -1.133 43.981 45.100 0.024 0.000 0.798 72 G HN -0.029 nan 8.290 nan 0.000 0.461 73 W N 1.120 122.391 121.300 -0.047 0.000 2.209 73 W HA 0.421 5.081 4.660 -0.000 0.000 0.344 73 W C 0.612 177.078 176.519 -0.088 0.000 1.285 73 W CA -0.606 56.675 57.345 -0.107 0.000 1.267 73 W CB 0.573 29.950 29.460 -0.138 0.000 1.167 73 W HN 0.547 nan 8.180 nan 0.000 0.574 74 V N 3.457 123.431 119.914 0.101 0.000 2.409 74 V HA 0.072 4.192 4.120 -0.000 0.000 0.290 74 V C -0.384 175.690 176.094 -0.032 0.000 1.017 74 V CA -0.931 61.383 62.300 0.025 0.000 0.841 74 V CB 1.568 33.387 31.823 -0.007 0.000 1.003 74 V HN 0.319 nan 8.190 nan 0.000 0.426 75 D N 3.770 124.168 120.400 -0.004 0.000 2.380 75 D HA 0.206 4.846 4.640 -0.000 0.000 0.230 75 D C 0.497 176.810 176.300 0.023 0.000 1.154 75 D CA -0.332 53.653 54.000 -0.025 0.000 0.859 75 D CB 1.890 42.684 40.800 -0.010 0.000 1.045 75 D HN 0.430 nan 8.370 nan 0.000 0.495 76 L N 4.403 125.641 121.223 0.025 0.000 2.610 76 L HA 0.089 4.429 4.340 -0.000 0.000 0.232 76 L C -0.040 176.924 176.870 0.157 0.000 1.149 76 L CA 0.853 55.753 54.840 0.101 0.000 0.872 76 L CB -0.546 41.566 42.059 0.089 0.000 0.992 76 L HN 0.523 nan 8.230 nan 0.000 0.447 77 H N -0.948 118.107 119.070 -0.025 0.000 3.093 77 H HA 0.513 5.069 4.556 -0.000 0.000 0.311 77 H C -1.391 173.867 175.328 -0.118 0.000 1.294 77 H CA -0.518 55.484 56.048 -0.076 0.000 1.628 77 H CB 0.558 30.260 29.762 -0.100 0.000 1.874 77 H HN -0.066 nan 8.280 nan 0.000 0.574 78 V N 0.836 120.780 119.914 0.051 0.000 3.158 78 V HA 0.548 4.668 4.120 -0.000 0.000 0.311 78 V C -0.753 175.173 176.094 -0.280 0.000 1.181 78 V CA -0.916 61.370 62.300 -0.024 0.000 1.054 78 V CB 2.560 34.414 31.823 0.052 0.000 1.085 78 V HN 0.684 nan 8.190 nan 0.000 0.446 79 H N 2.229 121.445 119.070 0.243 0.000 2.716 79 H HA 0.488 5.043 4.556 -0.000 0.000 0.260 79 H C 0.041 175.524 175.328 0.258 0.000 1.280 79 H CA -0.089 56.102 56.048 0.239 0.000 1.506 79 H CB 1.407 31.310 29.762 0.236 0.000 1.514 79 H HN 0.830 nan 8.280 nan 0.000 0.502 80 I N -2.365 118.428 120.570 0.370 0.000 3.889 80 I HA 0.181 4.351 4.170 -0.000 0.000 0.332 80 I C 0.525 177.000 176.117 0.597 0.000 1.493 80 I CA -0.258 61.282 61.300 0.401 0.000 1.158 80 I CB 0.112 38.292 38.000 0.300 0.000 1.117 80 I HN 0.287 nan 8.210 nan 0.000 0.411 81 W N 3.786 125.321 121.300 0.393 0.000 1.564 81 W HA 0.195 4.855 4.660 -0.000 0.000 0.448 81 W C 0.634 177.288 176.519 0.225 0.000 0.601 81 W CA -0.989 56.605 57.345 0.415 0.000 2.326 81 W CB -0.074 29.542 29.460 0.259 0.000 1.355 81 W HN 0.309 nan 8.180 nan 0.000 0.382 82 H N 1.400 120.789 119.070 0.532 0.000 3.038 82 H HA 0.174 4.730 4.556 -0.000 0.000 0.338 82 H C 1.401 176.807 175.328 0.130 0.000 1.041 82 H CA 2.345 58.537 56.048 0.240 0.000 1.394 82 H CB 0.948 30.812 29.762 0.171 0.000 1.357 82 H HN 0.587 nan 8.280 nan 0.000 0.600 83 G N 2.901 111.212 108.800 -0.816 0.000 3.078 83 G HA2 -0.393 3.566 3.960 -0.000 0.000 0.227 83 G HA3 -0.393 3.566 3.960 -0.000 0.000 0.227 83 G C 1.530 176.028 174.900 -0.670 0.000 1.306 83 G CA 0.530 45.239 45.100 -0.652 0.000 0.841 83 G HN 1.110 nan 8.290 nan 0.000 0.530 84 G N -0.194 107.889 108.800 -1.195 0.000 2.443 84 G HA2 0.316 4.276 3.960 -0.000 0.000 0.219 84 G HA3 0.316 4.276 3.960 -0.000 0.000 0.219 84 G C 0.685 174.898 174.900 -1.144 0.000 1.131 84 G CA 2.009 46.026 45.100 -1.805 0.000 0.775 84 G HN 0.915 nan 8.290 nan 0.000 0.547 85 T N 0.424 114.475 114.554 -0.839 0.000 2.841 85 T HA 0.329 4.679 4.350 -0.000 0.000 0.283 85 T C 0.814 175.345 174.700 -0.281 0.000 1.000 85 T CA -0.137 61.699 62.100 -0.441 0.000 0.977 85 T CB 2.026 70.736 68.868 -0.262 0.000 0.979 85 T HN 0.225 nan 8.240 nan 0.000 0.446 86 D N 2.373 122.644 120.400 -0.214 0.000 2.117 86 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 86 D C 1.680 177.895 176.300 -0.142 0.000 0.987 86 D CA 1.018 54.921 54.000 -0.160 0.000 0.829 86 D CB -0.035 40.695 40.800 -0.117 0.000 0.961 86 D HN 0.411 nan 8.370 nan 0.000 0.460 87 I N 0.598 121.079 120.570 -0.149 0.000 3.059 87 I HA 0.015 4.185 4.170 -0.000 0.000 0.270 87 I C 0.405 176.486 176.117 -0.060 0.000 1.238 87 I CA 0.143 61.338 61.300 -0.174 0.000 1.478 87 I CB 0.012 37.852 38.000 -0.267 0.000 1.097 87 I HN -0.182 nan 8.210 nan 0.000 0.455 88 S N 1.319 117.030 115.700 0.018 0.000 2.614 88 S HA 0.507 4.977 4.470 -0.000 0.000 0.265 88 S C 0.094 174.810 174.600 0.194 0.000 1.303 88 S CA -0.327 57.978 58.200 0.175 0.000 1.000 88 S CB 0.812 64.173 63.200 0.268 0.000 0.935 88 S HN 0.278 nan 8.310 nan 0.000 0.551 89 I N -1.659 119.056 120.570 0.243 0.000 3.002 89 I HA 0.625 4.795 4.170 -0.000 0.000 0.310 89 I C -0.436 175.805 176.117 0.206 0.000 1.087 89 I CA -1.459 59.967 61.300 0.209 0.000 1.017 89 I CB 1.438 39.504 38.000 0.111 0.000 1.226 89 I HN 0.351 nan 8.210 nan 0.000 0.443 90 R N 2.757 123.304 120.500 0.078 0.000 2.623 90 R HA 0.178 4.518 4.340 -0.000 0.000 0.271 90 R C -1.559 174.767 176.300 0.044 0.000 1.043 90 R CA -1.044 55.050 56.100 -0.010 0.000 1.083 90 R CB 0.332 30.525 30.300 -0.178 0.000 0.974 90 R HN 0.537 nan 8.270 nan 0.000 0.436 91 P HA -0.178 nan 4.420 nan 0.000 0.218 91 P C 0.811 178.128 177.300 0.028 0.000 1.149 91 P CA 1.362 64.494 63.100 0.052 0.000 0.817 91 P CB 0.092 31.811 31.700 0.031 0.000 0.785 92 S N -0.344 115.360 115.700 0.007 0.000 2.537 92 S HA -0.115 4.355 4.470 -0.000 0.000 0.240 92 S C 1.546 176.158 174.600 0.020 0.000 0.981 92 S CA 0.844 59.048 58.200 0.008 0.000 0.948 92 S CB -0.984 62.211 63.200 -0.009 0.000 0.759 92 S HN 0.327 nan 8.310 nan 0.000 0.531 93 E N -0.079 120.130 120.200 0.015 0.000 2.481 93 E HA 0.140 4.489 4.350 -0.000 0.000 0.198 93 E C 0.696 177.297 176.600 0.001 0.000 1.027 93 E CA 0.440 56.845 56.400 0.008 0.000 0.900 93 E CB 0.537 30.223 29.700 -0.023 0.000 0.993 93 E HN 0.853 nan 8.360 nan 0.000 0.482 94 C N -1.855 117.459 119.300 0.025 0.000 3.395 94 C HA 0.689 5.149 4.460 -0.000 0.000 0.264 94 C C 0.647 175.672 174.990 0.058 0.000 2.141 94 C CA -0.665 58.373 59.018 0.032 0.000 1.689 94 C CB -0.283 27.470 27.740 0.021 0.000 3.416 94 C HN 0.171 nan 8.230 nan 0.000 0.432 95 G N -1.264 107.573 108.800 0.062 0.000 2.660 95 G HA2 0.715 4.675 3.960 -0.000 0.000 0.290 95 G HA3 0.715 4.675 3.960 -0.000 0.000 0.290 95 G C 0.360 175.296 174.900 0.061 0.000 1.432 95 G CA 0.172 45.314 45.100 0.069 0.000 0.807 95 G HN 1.548 nan 8.290 nan 0.000 0.485 96 A N 0.053 122.906 122.820 0.055 0.000 3.941 96 A HA -0.338 3.982 4.320 -0.000 0.000 0.355 96 A C 1.770 179.382 177.584 0.046 0.000 1.675 96 A CA 2.675 54.737 52.037 0.042 0.000 0.874 96 A CB -1.860 17.161 19.000 0.034 0.000 1.486 96 A HN 1.025 nan 8.150 nan 0.000 0.583 97 E N -0.253 119.976 120.200 0.049 0.000 2.331 97 E HA -0.180 4.170 4.350 -0.000 0.000 0.199 97 E C 1.421 178.063 176.600 0.070 0.000 1.008 97 E CA 1.033 57.464 56.400 0.051 0.000 0.843 97 E CB -0.128 29.603 29.700 0.052 0.000 0.761 97 E HN 0.501 nan 8.360 nan 0.000 0.507 98 R N -0.765 119.789 120.500 0.091 0.000 2.472 98 R HA 0.135 4.474 4.340 -0.000 0.000 0.279 98 R C 0.949 177.358 176.300 0.182 0.000 0.953 98 R CA 0.556 56.740 56.100 0.140 0.000 1.088 98 R CB 1.044 31.432 30.300 0.146 0.000 1.197 98 R HN 0.253 nan 8.270 nan 0.000 0.536 99 G N 0.789 109.634 108.800 0.076 0.000 2.159 99 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 99 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 99 G C 0.006 174.934 174.900 0.047 0.000 0.977 99 G CA 0.205 45.255 45.100 -0.084 0.000 0.652 99 G HN 0.136 nan 8.290 nan 0.000 0.531 100 V N 1.502 121.516 119.914 0.166 0.000 2.370 100 V HA 0.581 4.701 4.120 -0.000 0.000 0.283 100 V C 1.427 177.579 176.094 0.097 0.000 1.023 100 V CA 0.483 62.902 62.300 0.198 0.000 0.857 100 V CB 1.394 33.325 31.823 0.180 0.000 0.985 100 V HN 0.625 nan 8.190 nan 0.000 0.443 101 T N -0.102 114.501 114.554 0.081 0.000 3.037 101 T HA 0.091 4.441 4.350 -0.000 0.000 0.251 101 T C 0.631 175.352 174.700 0.035 0.000 1.079 101 T CA 0.133 62.256 62.100 0.038 0.000 1.067 101 T CB 0.184 69.058 68.868 0.009 0.000 0.948 101 T HN 0.555 nan 8.240 nan 0.000 0.496 102 T N 2.385 116.969 114.554 0.050 0.000 2.840 102 T HA 0.661 5.011 4.350 -0.000 0.000 0.287 102 T C -0.918 173.812 174.700 0.050 0.000 0.991 102 T CA -0.619 61.505 62.100 0.039 0.000 0.964 102 T CB 1.656 70.541 68.868 0.028 0.000 0.954 102 T HN 0.194 nan 8.240 nan 0.000 0.438 103 L N 3.183 124.439 121.223 0.054 0.000 2.333 103 L HA 0.697 5.037 4.340 -0.000 0.000 0.280 103 L C -0.695 176.228 176.870 0.087 0.000 1.004 103 L CA -1.136 53.746 54.840 0.070 0.000 0.820 103 L CB 1.920 44.026 42.059 0.078 0.000 1.247 103 L HN 0.368 nan 8.230 nan 0.000 0.416 104 V N 2.046 122.013 119.914 0.089 0.000 2.378 104 V HA 0.224 4.343 4.120 -0.000 0.000 0.288 104 V C -0.183 175.976 176.094 0.109 0.000 1.016 104 V CA -0.691 61.667 62.300 0.098 0.000 0.840 104 V CB 1.677 33.556 31.823 0.095 0.000 0.994 104 V HN 0.667 nan 8.190 nan 0.000 0.431 105 D N 4.147 124.617 120.400 0.115 0.000 2.351 105 D HA 0.285 4.925 4.640 -0.000 0.000 0.251 105 D C 0.287 176.594 176.300 0.012 0.000 1.137 105 D CA -0.186 53.831 54.000 0.028 0.000 0.879 105 D CB 2.015 42.781 40.800 -0.057 0.000 1.181 105 D HN 0.672 nan 8.370 nan 0.000 0.448 106 A N 2.974 125.707 122.820 -0.145 0.000 3.126 106 A HA 0.488 4.808 4.320 -0.000 0.000 0.268 106 A C 1.119 178.690 177.584 -0.022 0.000 1.605 106 A CA 0.136 52.066 52.037 -0.179 0.000 1.305 106 A CB -0.612 17.952 19.000 -0.727 0.000 1.160 106 A HN 0.790 nan 8.150 nan 0.000 0.609 107 G N 0.191 109.020 108.800 0.048 0.000 2.198 107 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 107 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 107 G C 0.873 175.837 174.900 0.107 0.000 1.042 107 G CA 0.529 45.664 45.100 0.059 0.000 0.791 107 G HN 0.703 nan 8.290 nan 0.000 0.502 108 S N -0.754 115.032 115.700 0.143 0.000 2.515 108 S HA 0.445 4.915 4.470 -0.000 0.000 0.231 108 S C 1.289 176.055 174.600 0.276 0.000 0.987 108 S CA 1.244 59.584 58.200 0.235 0.000 0.936 108 S CB 0.195 63.601 63.200 0.344 0.000 0.766 108 S HN 1.737 nan 8.310 nan 0.000 0.528 109 A N 0.189 123.128 122.820 0.198 0.000 2.435 109 A HA 0.797 5.117 4.320 -0.000 0.000 0.304 109 A C 0.223 177.921 177.584 0.191 0.000 1.064 109 A CA -0.387 51.820 52.037 0.283 0.000 0.727 109 A CB 1.296 20.477 19.000 0.302 0.000 1.284 109 A HN 0.292 nan 8.150 nan 0.000 0.415 110 G N -0.442 108.478 108.800 0.201 0.000 2.990 110 G HA2 0.505 4.465 3.960 -0.000 0.000 0.208 110 G HA3 0.505 4.465 3.960 -0.000 0.000 0.208 110 G C 0.362 175.366 174.900 0.173 0.000 1.334 110 G CA 0.336 45.517 45.100 0.134 0.000 1.024 110 G HN 0.782 nan 8.290 nan 0.000 0.574 111 E N -0.413 119.864 120.200 0.129 0.000 2.208 111 E HA 0.106 4.455 4.350 -0.000 0.000 0.193 111 E C 2.236 178.962 176.600 0.210 0.000 0.988 111 E CA 1.422 57.911 56.400 0.148 0.000 0.828 111 E CB -0.646 29.107 29.700 0.088 0.000 0.763 111 E HN 0.408 nan 8.360 nan 0.000 0.478 112 A N 1.837 124.773 122.820 0.194 0.000 1.948 112 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 112 A C 1.696 179.485 177.584 0.342 0.000 1.177 112 A CA 1.868 54.032 52.037 0.212 0.000 0.636 112 A CB -0.885 18.214 19.000 0.164 0.000 0.815 112 A HN 0.649 nan 8.150 nan 0.000 0.449 113 N N -3.481 115.457 118.700 0.397 0.000 2.390 113 N HA 0.185 4.925 4.740 -0.000 0.000 0.259 113 N C 0.646 176.359 175.510 0.339 0.000 1.395 113 N CA -0.194 53.116 53.050 0.433 0.000 0.852 113 N CB -0.002 38.726 38.487 0.402 0.000 1.371 113 N HN 0.129 nan 8.380 nan 0.000 0.491 114 F N 3.457 123.556 119.950 0.248 0.000 2.171 114 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 114 F C 2.737 178.560 175.800 0.039 0.000 1.090 114 F CA 1.797 59.860 58.000 0.105 0.000 1.293 114 F CB -0.161 38.902 39.000 0.105 0.000 1.013 114 F HN 0.272 nan 8.300 nan 0.000 0.486 115 H N -1.401 117.708 119.070 0.067 0.000 2.390 115 H HA -0.067 4.488 4.556 -0.000 0.000 0.298 115 H C 2.314 177.495 175.328 -0.245 0.000 1.106 115 H CA 1.399 57.403 56.048 -0.074 0.000 1.297 115 H CB -1.584 28.187 29.762 0.014 0.000 1.375 115 H HN 0.349 nan 8.280 nan 0.000 0.509 116 G N 0.514 108.827 108.800 -0.812 0.000 2.402 116 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 116 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 116 G C 1.660 176.109 174.900 -0.751 0.000 1.162 116 G CA 0.600 45.356 45.100 -0.573 0.000 0.777 116 G HN 0.435 nan 8.290 nan 0.000 0.539 117 F N 1.619 120.811 119.950 -1.263 0.000 2.095 117 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 117 F C 2.646 177.806 175.800 -1.067 0.000 1.104 117 F CA 1.967 58.979 58.000 -1.647 0.000 1.232 117 F CB -0.192 37.830 39.000 -1.629 0.000 0.987 117 F HN 0.086 nan 8.300 nan 0.000 0.475 118 R N 0.332 120.188 120.500 -1.075 0.000 2.081 118 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 118 R C 2.346 178.224 176.300 -0.703 0.000 1.131 118 R CA 1.895 57.437 56.100 -0.931 0.000 0.960 118 R CB -0.546 29.318 30.300 -0.727 0.000 0.856 118 R HN 0.490 nan 8.270 nan 0.000 0.436 119 E N -0.879 118.935 120.200 -0.644 0.000 2.112 119 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 119 E C 1.182 177.474 176.600 -0.515 0.000 0.979 119 E CA 0.907 56.964 56.400 -0.573 0.000 0.814 119 E CB 0.108 29.402 29.700 -0.677 0.000 0.762 119 E HN 0.392 nan 8.360 nan 0.000 0.460 120 Y N -0.940 119.142 120.300 -0.364 0.000 2.476 120 Y HA 0.078 4.628 4.550 -0.000 0.000 0.283 120 Y C 1.648 177.366 175.900 -0.302 0.000 1.109 120 Y CA 0.207 58.165 58.100 -0.237 0.000 1.246 120 Y CB 0.327 38.754 38.460 -0.056 0.000 1.068 120 Y HN 0.067 nan 8.280 nan 0.000 0.552 121 I N -1.321 118.976 120.570 -0.454 0.000 3.136 121 I HA -0.005 4.164 4.170 -0.000 0.000 0.262 121 I C 2.011 177.805 176.117 -0.538 0.000 1.132 121 I CA 0.492 61.474 61.300 -0.531 0.000 1.450 121 I CB -0.526 36.923 38.000 -0.918 0.000 1.315 121 I HN -0.074 nan 8.210 nan 0.000 0.460 122 I N 0.613 120.731 120.570 -0.753 0.000 2.090 122 I HA -0.270 3.900 4.170 -0.000 0.000 0.236 122 I C 2.385 178.311 176.117 -0.318 0.000 1.064 122 I CA 1.597 62.585 61.300 -0.520 0.000 1.324 122 I CB -0.481 37.131 38.000 -0.646 0.000 1.044 122 I HN 0.236 nan 8.210 nan 0.000 0.399 123 E N 0.679 120.684 120.200 -0.325 0.000 2.065 123 E HA -0.238 4.112 4.350 -0.000 0.000 0.201 123 E C -0.603 175.919 176.600 -0.131 0.000 1.016 123 E CA 1.709 57.992 56.400 -0.195 0.000 0.818 123 E CB -1.023 28.561 29.700 -0.193 0.000 0.749 123 E HN 0.479 nan 8.360 nan 0.000 0.453 124 P HA 0.045 nan 4.420 nan 0.000 0.242 124 P C -0.515 176.744 177.300 -0.068 0.000 1.197 124 P CA 0.449 63.503 63.100 -0.077 0.000 0.765 124 P CB 0.495 32.163 31.700 -0.053 0.000 0.936 125 S N 0.153 115.799 115.700 -0.090 0.000 2.585 125 S HA 0.209 4.679 4.470 -0.000 0.000 0.277 125 S C 1.338 175.911 174.600 -0.044 0.000 1.241 125 S CA -0.667 57.493 58.200 -0.067 0.000 1.041 125 S CB 1.031 64.180 63.200 -0.085 0.000 0.987 125 S HN 0.209 nan 8.310 nan 0.000 0.512 126 R N 0.638 121.122 120.500 -0.026 0.000 2.280 126 R HA 0.238 4.578 4.340 -0.000 0.000 0.195 126 R C -0.525 175.767 176.300 -0.012 0.000 0.935 126 R CA 0.114 56.204 56.100 -0.016 0.000 1.033 126 R CB 0.036 30.331 30.300 -0.007 0.000 0.964 126 R HN 0.397 nan 8.270 nan 0.000 0.489 127 E N 1.908 122.101 120.200 -0.011 0.000 2.277 127 E HA 0.183 4.533 4.350 -0.000 0.000 0.274 127 E C -0.884 175.713 176.600 -0.004 0.000 1.022 127 E CA -0.776 55.623 56.400 -0.001 0.000 0.853 127 E CB 1.254 30.961 29.700 0.011 0.000 1.086 127 E HN 0.062 nan 8.360 nan 0.000 0.397 128 R N 2.816 123.318 120.500 0.003 0.000 2.421 128 R HA 0.139 4.479 4.340 -0.000 0.000 0.305 128 R C -0.691 175.623 176.300 0.023 0.000 1.039 128 R CA 0.165 56.270 56.100 0.010 0.000 1.003 128 R CB 0.064 30.367 30.300 0.006 0.000 0.959 128 R HN 0.538 nan 8.270 nan 0.000 0.427 129 I N 6.094 126.680 120.570 0.027 0.000 2.390 129 I HA 0.257 4.427 4.170 -0.000 0.000 0.283 129 I C -0.206 175.976 176.117 0.109 0.000 1.016 129 I CA -0.819 60.510 61.300 0.048 0.000 1.151 129 I CB 1.303 39.290 38.000 -0.023 0.000 1.293 129 I HN 0.492 nan 8.210 nan 0.000 0.458 130 K N 4.367 124.833 120.400 0.111 0.000 2.416 130 K HA 0.937 5.256 4.320 -0.000 0.000 0.244 130 K C -0.517 176.167 176.600 0.139 0.000 1.044 130 K CA -0.819 55.532 56.287 0.108 0.000 0.972 130 K CB 1.955 34.452 32.500 -0.005 0.000 1.286 130 K HN 0.626 nan 8.250 nan 0.000 0.500 131 A N 0.258 123.098 122.820 0.033 0.000 2.594 131 A HA 0.588 4.908 4.320 -0.000 0.000 0.296 131 A C -1.795 175.665 177.584 -0.206 0.000 1.056 131 A CA -0.763 51.276 52.037 0.003 0.000 0.693 131 A CB 0.457 19.580 19.000 0.205 0.000 1.278 131 A HN 0.374 nan 8.150 nan 0.000 0.408 132 F N 0.803 120.722 119.950 -0.052 0.000 2.408 132 F HA 0.571 5.098 4.527 -0.000 0.000 0.344 132 F C 0.229 175.963 175.800 -0.110 0.000 1.112 132 F CA -0.402 57.543 58.000 -0.092 0.000 1.096 132 F CB 1.797 40.722 39.000 -0.125 0.000 1.129 132 F HN 0.514 nan 8.300 nan 0.000 0.486 133 L N 4.980 126.217 121.223 0.024 0.000 2.276 133 L HA 0.330 4.670 4.340 -0.000 0.000 0.286 133 L C 0.092 176.967 176.870 0.008 0.000 1.061 133 L CA -0.126 54.688 54.840 -0.043 0.000 0.807 133 L CB 0.294 42.266 42.059 -0.146 0.000 1.177 133 L HN 0.500 nan 8.230 nan 0.000 0.429 134 N N 4.318 123.031 118.700 0.021 0.000 2.492 134 N HA 0.083 4.823 4.740 -0.000 0.000 0.260 134 N C 0.022 175.536 175.510 0.006 0.000 1.215 134 N CA -0.106 52.951 53.050 0.011 0.000 0.923 134 N CB 0.636 39.141 38.487 0.029 0.000 1.092 134 N HN 0.716 nan 8.380 nan 0.000 0.448 138 I N 1.403 122.014 120.570 0.069 0.000 3.444 138 I HA 0.505 4.675 4.170 -0.000 0.000 0.287 138 I C 1.401 177.559 176.117 0.069 0.000 1.302 138 I CA 0.579 61.919 61.300 0.067 0.000 1.368 138 I CB -0.995 37.027 38.000 0.037 0.000 1.048 138 I HN 0.529 nan 8.210 nan 0.000 0.487 139 G N 2.993 111.837 108.800 0.075 0.000 2.596 139 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.295 139 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.295 139 G C 0.100 175.017 174.900 0.029 0.000 1.240 139 G CA 0.454 45.600 45.100 0.077 0.000 0.985 139 G HN 0.408 nan 8.290 nan 0.000 0.555 140 L N 1.763 122.996 121.223 0.017 0.000 3.141 140 L HA 0.261 4.601 4.340 -0.000 0.000 0.263 140 L C 2.116 178.934 176.870 -0.086 0.000 1.312 140 L CA -0.044 54.769 54.840 -0.044 0.000 1.012 140 L CB 0.537 42.552 42.059 -0.074 0.000 1.408 140 L HN 0.512 nan 8.230 nan 0.000 0.559 141 V N -0.993 118.869 119.914 -0.086 0.000 2.317 141 V HA -0.210 3.910 4.120 -0.000 0.000 0.251 141 V C 1.348 177.371 176.094 -0.119 0.000 1.065 141 V CA 1.741 63.960 62.300 -0.135 0.000 1.049 141 V CB -0.793 30.969 31.823 -0.102 0.000 0.651 141 V HN 0.552 nan 8.190 nan 0.000 0.450 142 A N -1.142 121.629 122.820 -0.081 0.000 3.159 142 A HA 0.468 4.788 4.320 -0.000 0.000 0.330 142 A C -0.038 177.511 177.584 -0.058 0.000 1.032 142 A CA -0.321 51.676 52.037 -0.066 0.000 0.841 142 A CB -0.087 18.885 19.000 -0.046 0.000 1.093 142 A HN 0.434 nan 8.150 nan 0.000 0.478 143 C N 2.606 121.857 119.300 -0.082 0.000 2.419 143 C HA 0.056 4.516 4.460 -0.000 0.000 0.398 143 C C 1.555 176.511 174.990 -0.056 0.000 1.498 143 C CA 1.539 60.501 59.018 -0.092 0.000 1.494 143 C CB -1.541 26.102 27.740 -0.162 0.000 2.485 143 C HN 0.969 nan 8.230 nan 0.000 0.608 144 N N 2.585 121.258 118.700 -0.045 0.000 2.887 144 N HA -0.211 4.529 4.740 -0.000 0.000 0.219 144 N C 1.179 176.686 175.510 -0.005 0.000 0.855 144 N CA 2.443 55.481 53.050 -0.019 0.000 1.164 144 N CB -0.835 37.644 38.487 -0.014 0.000 0.969 144 N HN 0.824 nan 8.380 nan 0.000 0.610 145 R N 0.402 120.896 120.500 -0.009 0.000 2.066 145 R HA 0.087 4.427 4.340 -0.000 0.000 0.232 145 R C 0.535 176.834 176.300 -0.002 0.000 1.131 145 R CA 1.398 57.496 56.100 -0.003 0.000 0.955 145 R CB 0.158 30.454 30.300 -0.006 0.000 0.851 145 R HN 0.018 nan 8.270 nan 0.000 0.432 146 V N 3.343 123.252 119.914 -0.009 0.000 2.276 146 V HA 0.225 4.345 4.120 -0.000 0.000 0.268 146 V C -2.316 173.777 176.094 -0.002 0.000 1.032 146 V CA -1.974 60.323 62.300 -0.005 0.000 0.810 146 V CB 1.051 32.867 31.823 -0.011 0.000 1.060 146 V HN 0.076 nan 8.190 nan 0.000 0.446 147 P HA -0.059 nan 4.420 nan 0.000 0.264 147 P C 0.865 178.179 177.300 0.023 0.000 1.173 147 P CA 0.335 63.446 63.100 0.019 0.000 0.761 147 P CB 0.649 32.374 31.700 0.041 0.000 0.794 148 E N 3.066 123.280 120.200 0.023 0.000 2.452 148 E HA 0.003 4.353 4.350 -0.000 0.000 0.197 148 E C 0.194 176.835 176.600 0.068 0.000 1.022 148 E CA 0.680 57.100 56.400 0.033 0.000 0.890 148 E CB 0.011 29.722 29.700 0.018 0.000 0.918 148 E HN 0.448 nan 8.360 nan 0.000 0.496 149 L N 1.786 123.072 121.223 0.105 0.000 2.784 149 L HA 0.397 4.737 4.340 -0.000 0.000 0.241 149 L C 1.573 178.636 176.870 0.321 0.000 1.352 149 L CA -0.376 54.594 54.840 0.218 0.000 0.911 149 L CB 0.683 42.854 42.059 0.187 0.000 1.227 149 L HN -0.075 nan 8.230 nan 0.000 0.501 150 R N 0.701 121.287 120.500 0.143 0.000 2.055 150 R HA -0.043 4.297 4.340 -0.000 0.000 0.228 150 R C -0.078 176.059 176.300 -0.273 0.000 1.143 150 R CA 1.606 57.711 56.100 0.007 0.000 0.945 150 R CB 0.280 30.554 30.300 -0.043 0.000 0.841 150 R HN 0.620 nan 8.270 nan 0.000 0.429 151 D N -2.364 117.863 120.400 -0.287 0.000 2.759 151 D HA 0.050 4.690 4.640 -0.000 0.000 0.321 151 D C 0.700 176.838 176.300 -0.270 0.000 1.267 151 D CA -0.653 52.955 54.000 -0.652 0.000 0.933 151 D CB 0.062 40.577 40.800 -0.476 0.000 1.431 151 D HN -0.072 nan 8.370 nan 0.000 0.504 152 I N -1.704 118.717 120.570 -0.250 0.000 2.423 152 I HA -0.062 4.108 4.170 -0.000 0.000 0.254 152 I C 1.627 177.757 176.117 0.021 0.000 1.151 152 I CA 1.039 62.355 61.300 0.027 0.000 1.421 152 I CB -0.887 37.137 38.000 0.040 0.000 1.079 152 I HN 0.284 nan 8.210 nan 0.000 0.431 153 K N 0.747 121.128 120.400 -0.032 0.000 2.616 153 K HA -0.089 4.231 4.320 -0.000 0.000 0.192 153 K C 0.553 177.161 176.600 0.012 0.000 1.031 153 K CA 0.694 56.974 56.287 -0.011 0.000 1.004 153 K CB -0.215 32.267 32.500 -0.030 0.000 0.810 153 K HN 0.411 nan 8.250 nan 0.000 0.497 154 D N -0.167 120.254 120.400 0.036 0.000 2.417 154 D HA 0.111 4.750 4.640 -0.000 0.000 0.207 154 D C 0.057 176.401 176.300 0.073 0.000 1.075 154 D CA 0.317 54.351 54.000 0.056 0.000 0.851 154 D CB 0.590 41.434 40.800 0.073 0.000 0.976 154 D HN 0.086 nan 8.370 nan 0.000 0.505 155 I N 1.463 122.085 120.570 0.086 0.000 2.330 155 I HA 0.152 4.322 4.170 -0.000 0.000 0.286 155 I C -0.270 175.881 176.117 0.055 0.000 1.025 155 I CA -0.543 60.804 61.300 0.077 0.000 1.197 155 I CB 1.217 39.277 38.000 0.101 0.000 1.358 155 I HN -0.303 nan 8.210 nan 0.000 0.467 156 D N 7.038 127.464 120.400 0.044 0.000 2.485 156 D HA 0.149 4.789 4.640 -0.000 0.000 0.221 156 D C 0.855 177.172 176.300 0.028 0.000 1.112 156 D CA -0.209 53.812 54.000 0.035 0.000 0.911 156 D CB 1.153 41.974 40.800 0.035 0.000 1.019 156 D HN 0.517 nan 8.370 nan 0.000 0.516 157 L N 3.496 124.734 121.223 0.024 0.000 1.971 157 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 157 L C 1.351 178.230 176.870 0.014 0.000 1.072 157 L CA 1.634 56.483 54.840 0.015 0.000 0.758 157 L CB 0.080 42.146 42.059 0.012 0.000 0.889 157 L HN 0.317 nan 8.230 nan 0.000 0.433 158 D N -0.448 119.962 120.400 0.016 0.000 2.123 158 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 158 D C 2.260 178.572 176.300 0.021 0.000 0.992 158 D CA 1.313 55.323 54.000 0.016 0.000 0.833 158 D CB -0.230 40.579 40.800 0.014 0.000 0.954 158 D HN 0.429 nan 8.370 nan 0.000 0.455 159 R N 0.141 120.655 120.500 0.023 0.000 2.148 159 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 159 R C 2.523 178.843 176.300 0.033 0.000 1.103 159 R CA 0.418 56.535 56.100 0.029 0.000 0.983 159 R CB -0.115 30.205 30.300 0.034 0.000 0.874 159 R HN 0.277 nan 8.270 nan 0.000 0.451 160 I N 0.710 121.297 120.570 0.028 0.000 2.233 160 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 160 I C 2.171 178.313 176.117 0.042 0.000 1.093 160 I CA 1.176 62.489 61.300 0.023 0.000 1.380 160 I CB -0.200 37.802 38.000 0.003 0.000 1.067 160 I HN 0.113 nan 8.210 nan 0.000 0.413 161 L N 0.381 121.627 121.223 0.038 0.000 2.083 161 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 161 L C 2.541 179.455 176.870 0.074 0.000 1.083 161 L CA 1.414 56.292 54.840 0.063 0.000 0.752 161 L CB -0.646 41.435 42.059 0.037 0.000 0.899 161 L HN 0.338 nan 8.230 nan 0.000 0.433 162 E N -0.198 120.029 120.200 0.045 0.000 2.031 162 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 162 E C 2.401 179.020 176.600 0.031 0.000 0.994 162 E CA 1.748 58.166 56.400 0.031 0.000 0.800 162 E CB -0.159 29.555 29.700 0.022 0.000 0.752 162 E HN 0.493 nan 8.360 nan 0.000 0.447 163 C N 0.142 119.466 119.300 0.040 0.000 2.429 163 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 163 C C 2.587 177.578 174.990 0.001 0.000 1.262 163 C CA 1.172 60.209 59.018 0.031 0.000 1.733 163 C CB -1.346 26.409 27.740 0.027 0.000 2.010 163 C HN 0.694 nan 8.230 nan 0.000 0.483 164 Y N 1.854 122.101 120.300 -0.088 0.000 2.274 164 Y HA -0.003 4.547 4.550 -0.000 0.000 0.290 164 Y C 2.324 178.185 175.900 -0.064 0.000 1.145 164 Y CA 1.540 59.576 58.100 -0.106 0.000 1.203 164 Y CB -0.653 37.749 38.460 -0.096 0.000 0.984 164 Y HN 0.356 nan 8.280 nan 0.000 0.533 165 A N 0.131 122.897 122.820 -0.091 0.000 1.898 165 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 165 A C 2.051 179.548 177.584 -0.147 0.000 1.181 165 A CA 1.888 53.848 52.037 -0.128 0.000 0.620 165 A CB -0.561 18.423 19.000 -0.026 0.000 0.819 165 A HN 0.610 nan 8.150 nan 0.000 0.442 166 E N -0.686 119.464 120.200 -0.082 0.000 2.371 166 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 166 E C -0.030 176.553 176.600 -0.028 0.000 1.012 166 E CA 0.848 57.224 56.400 -0.039 0.000 0.860 166 E CB -0.018 29.691 29.700 0.015 0.000 0.811 166 E HN 0.722 nan 8.360 nan 0.000 0.502 167 N N -0.629 118.028 118.700 -0.072 0.000 2.365 167 N HA -0.020 4.720 4.740 -0.000 0.000 0.257 167 N C 0.689 176.071 175.510 -0.214 0.000 1.287 167 N CA 0.039 53.101 53.050 0.019 0.000 0.882 167 N CB 1.092 39.770 38.487 0.319 0.000 1.250 167 N HN -0.041 nan 8.380 nan 0.000 0.507 168 S N -0.279 115.135 115.700 -0.478 0.000 2.462 168 S HA -0.211 4.259 4.470 -0.000 0.000 0.243 168 S C 1.712 176.093 174.600 -0.364 0.000 1.003 168 S CA 1.116 58.870 58.200 -0.742 0.000 0.970 168 S CB -0.023 62.714 63.200 -0.772 0.000 0.762 168 S HN 0.287 nan 8.310 nan 0.000 0.510 169 E N 0.815 120.817 120.200 -0.330 0.000 2.299 169 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 169 E C 1.530 177.928 176.600 -0.337 0.000 0.998 169 E CA 0.847 57.035 56.400 -0.353 0.000 0.851 169 E CB -0.108 29.308 29.700 -0.472 0.000 0.795 169 E HN 0.741 nan 8.360 nan 0.000 0.492 170 H N -1.147 117.926 119.070 0.005 0.000 2.750 170 H HA 0.297 4.853 4.556 -0.000 0.000 0.263 170 H C 0.129 175.519 175.328 0.104 0.000 0.964 170 H CA 0.083 56.199 56.048 0.113 0.000 1.205 170 H CB 0.831 30.767 29.762 0.290 0.000 1.454 170 H HN 0.106 nan 8.280 nan 0.000 0.503 171 I N 2.572 123.190 120.570 0.080 0.000 2.321 171 I HA 0.020 4.190 4.170 -0.000 0.000 0.291 171 I C 1.152 177.283 176.117 0.023 0.000 0.998 171 I CA -0.465 60.831 61.300 -0.005 0.000 1.227 171 I CB 2.091 40.055 38.000 -0.061 0.000 1.368 171 I HN -0.111 nan 8.210 nan 0.000 0.466 172 V N 2.699 122.499 119.914 -0.190 0.000 3.444 172 V HA 0.699 4.819 4.120 -0.000 0.000 0.308 172 V C 0.528 176.401 176.094 -0.368 0.000 1.371 172 V CA 0.227 62.361 62.300 -0.277 0.000 1.141 172 V CB -0.570 31.006 31.823 -0.411 0.000 1.037 172 V HN 0.940 nan 8.190 nan 0.000 0.433 173 G N -0.464 108.170 108.800 -0.276 0.000 2.352 173 G HA2 0.309 4.269 3.960 -0.000 0.000 0.302 173 G HA3 0.309 4.269 3.960 -0.000 0.000 0.302 173 G C -1.407 173.562 174.900 0.114 0.000 1.370 173 G CA -0.674 44.389 45.100 -0.063 0.000 0.918 173 G HN 0.242 nan 8.290 nan 0.000 0.610 177 R N 2.748 123.083 120.500 -0.275 0.000 2.522 177 R HA 0.658 4.998 4.340 -0.000 0.000 0.290 177 R C 0.299 176.435 176.300 -0.272 0.000 1.216 177 R CA -0.146 55.614 56.100 -0.567 0.000 1.250 177 R CB 1.390 31.227 30.300 -0.772 0.000 1.143 177 R HN 0.857 nan 8.270 nan 0.000 0.553 178 A N 2.299 125.093 122.820 -0.042 0.000 2.805 178 A HA 0.323 4.643 4.320 -0.000 0.000 0.301 178 A C -0.222 177.420 177.584 0.097 0.000 1.557 178 A CA -0.145 51.891 52.037 -0.001 0.000 1.254 178 A CB -0.142 18.831 19.000 -0.045 0.000 1.114 178 A HN 0.625 nan 8.150 nan 0.000 0.553 179 S N 0.616 116.366 115.700 0.084 0.000 2.556 179 S HA 0.359 4.829 4.470 -0.000 0.000 0.280 179 S C 0.267 174.907 174.600 0.066 0.000 1.141 179 S CA -0.176 58.072 58.200 0.079 0.000 0.883 179 S CB 0.299 63.579 63.200 0.134 0.000 1.103 179 S HN 1.032 nan 8.310 nan 0.000 0.453 180 H N 1.145 120.264 119.070 0.081 0.000 2.492 180 H HA -0.019 4.537 4.556 -0.000 0.000 0.296 180 H C 1.248 176.621 175.328 0.076 0.000 1.095 180 H CA 1.831 57.928 56.048 0.081 0.000 1.281 180 H CB -0.572 29.231 29.762 0.068 0.000 1.374 180 H HN 0.348 nan 8.280 nan 0.000 0.545 181 V N 0.605 120.488 119.914 -0.052 0.000 2.759 181 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 181 V C 1.911 178.044 176.094 0.065 0.000 1.080 181 V CA 1.426 63.743 62.300 0.028 0.000 1.101 181 V CB -0.309 31.477 31.823 -0.061 0.000 0.698 181 V HN 0.501 nan 8.190 nan 0.000 0.477 182 I N -0.115 120.491 120.570 0.061 0.000 3.136 182 I HA 0.013 4.183 4.170 -0.000 0.000 0.262 182 I C 2.376 178.567 176.117 0.124 0.000 1.132 182 I CA 1.716 63.047 61.300 0.053 0.000 1.450 182 I CB -1.709 36.279 38.000 -0.020 0.000 1.315 182 I HN 0.437 nan 8.210 nan 0.000 0.460 183 T N -1.154 113.496 114.554 0.160 0.000 3.107 183 T HA 0.359 4.709 4.350 -0.000 0.000 0.249 183 T C 1.471 176.399 174.700 0.380 0.000 1.096 183 T CA 0.531 62.818 62.100 0.312 0.000 1.012 183 T CB -0.081 68.870 68.868 0.138 0.000 0.977 183 T HN 0.504 nan 8.240 nan 0.000 0.527 184 G N 2.039 110.993 108.800 0.257 0.000 2.672 184 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.332 184 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.332 184 G C 1.123 176.156 174.900 0.222 0.000 1.213 184 G CA 0.673 45.905 45.100 0.219 0.000 0.980 184 G HN 0.648 nan 8.290 nan 0.000 0.548 185 S N 0.897 116.714 115.700 0.196 0.000 2.540 185 S HA 0.155 4.625 4.470 -0.000 0.000 0.218 185 S C 1.253 176.015 174.600 0.271 0.000 0.977 185 S CA 0.945 59.247 58.200 0.171 0.000 0.918 185 S CB -0.022 63.227 63.200 0.082 0.000 0.806 185 S HN 0.792 nan 8.310 nan 0.000 0.496 186 W N 2.266 123.579 121.300 0.021 0.000 3.353 186 W HA 0.498 5.158 4.660 -0.000 0.000 0.304 186 W C 0.774 177.304 176.519 0.019 0.000 1.273 186 W CA -0.551 56.803 57.345 0.015 0.000 1.773 186 W CB -1.666 27.800 29.460 0.009 0.000 1.095 186 W HN 0.231 nan 8.180 nan 0.000 0.676 187 G N 2.701 111.539 108.800 0.063 0.000 2.698 187 G HA2 -0.498 3.462 3.960 -0.000 0.000 0.337 187 G HA3 -0.498 3.462 3.960 -0.000 0.000 0.337 187 G C 1.133 175.904 174.900 -0.213 0.000 1.286 187 G CA 2.962 48.027 45.100 -0.058 0.000 1.000 187 G HN 0.857 nan 8.290 nan 0.000 0.547 188 V N -0.492 119.335 119.914 -0.145 0.000 2.759 188 V HA -0.036 4.084 4.120 -0.000 0.000 0.256 188 V C 3.108 179.051 176.094 -0.251 0.000 1.080 188 V CA 3.344 65.542 62.300 -0.171 0.000 1.101 188 V CB -1.774 29.995 31.823 -0.090 0.000 0.698 188 V HN 1.526 nan 8.190 nan 0.000 0.477 189 T N -0.704 113.672 114.554 -0.296 0.000 2.665 189 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 189 T C 0.341 174.739 174.700 -0.503 0.000 1.035 189 T CA 1.817 63.730 62.100 -0.311 0.000 1.151 189 T CB -2.158 66.621 68.868 -0.149 0.000 0.862 189 T HN 0.574 nan 8.240 nan 0.000 0.438 190 P HA 0.096 nan 4.420 nan 0.000 0.230 190 P C 1.547 178.624 177.300 -0.372 0.000 1.158 190 P CA 0.429 63.087 63.100 -0.737 0.000 0.769 190 P CB -0.212 30.886 31.700 -1.003 0.000 0.807 191 V N 1.043 120.765 119.914 -0.320 0.000 2.273 191 V HA -0.130 3.990 4.120 -0.000 0.000 0.242 191 V C 2.593 178.592 176.094 -0.159 0.000 1.035 191 V CA 1.467 63.645 62.300 -0.204 0.000 1.013 191 V CB -1.200 30.521 31.823 -0.169 0.000 0.652 191 V HN 0.041 nan 8.190 nan 0.000 0.452 192 K N -0.014 120.296 120.400 -0.150 0.000 2.113 192 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 192 K C 2.129 178.671 176.600 -0.097 0.000 1.047 192 K CA 1.544 57.767 56.287 -0.106 0.000 0.928 192 K CB -0.475 31.971 32.500 -0.089 0.000 0.716 192 K HN 0.275 nan 8.250 nan 0.000 0.446 193 L N 0.689 121.842 121.223 -0.117 0.000 2.056 193 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 193 L C 2.170 178.993 176.870 -0.078 0.000 1.078 193 L CA 1.948 56.738 54.840 -0.083 0.000 0.749 193 L CB -1.068 40.943 42.059 -0.080 0.000 0.901 193 L HN 0.153 nan 8.230 nan 0.000 0.433 194 G N -0.837 107.903 108.800 -0.101 0.000 2.422 194 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 194 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 194 G C 1.674 176.522 174.900 -0.085 0.000 1.146 194 G CA 0.925 45.972 45.100 -0.089 0.000 0.769 194 G HN 0.359 nan 8.290 nan 0.000 0.547 195 K N 0.892 121.239 120.400 -0.089 0.000 2.097 195 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 195 K C 2.293 178.851 176.600 -0.070 0.000 1.049 195 K CA 1.491 57.730 56.287 -0.080 0.000 0.933 195 K CB -0.226 32.227 32.500 -0.078 0.000 0.717 195 K HN 0.219 nan 8.250 nan 0.000 0.442 196 K N 1.115 121.478 120.400 -0.063 0.000 2.002 196 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 196 K C 1.999 178.566 176.600 -0.056 0.000 1.048 196 K CA 1.895 58.151 56.287 -0.052 0.000 0.930 196 K CB -0.551 31.925 32.500 -0.041 0.000 0.714 196 K HN 0.390 nan 8.250 nan 0.000 0.438 197 I N -1.044 119.491 120.570 -0.059 0.000 2.830 197 I HA -0.017 4.153 4.170 -0.000 0.000 0.263 197 I C 1.682 177.740 176.117 -0.099 0.000 1.230 197 I CA 1.252 62.512 61.300 -0.066 0.000 1.480 197 I CB -0.111 37.856 38.000 -0.054 0.000 1.095 197 I HN 0.175 nan 8.210 nan 0.000 0.455 198 A N 1.543 124.302 122.820 -0.102 0.000 1.929 198 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 198 A C 2.286 179.797 177.584 -0.122 0.000 1.176 198 A CA 1.360 53.320 52.037 -0.128 0.000 0.628 198 A CB -0.389 18.549 19.000 -0.103 0.000 0.816 198 A HN 0.475 nan 8.150 nan 0.000 0.444 199 K N -0.360 119.987 120.400 -0.089 0.000 2.148 199 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 199 K C 1.655 178.212 176.600 -0.071 0.000 1.050 199 K CA 1.199 57.442 56.287 -0.073 0.000 0.942 199 K CB -0.272 32.194 32.500 -0.056 0.000 0.724 199 K HN 0.514 nan 8.250 nan 0.000 0.446 200 I N 0.984 121.510 120.570 -0.073 0.000 2.163 200 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 200 I C 1.918 177.989 176.117 -0.076 0.000 1.081 200 I CA 1.280 62.544 61.300 -0.060 0.000 1.353 200 I CB -0.160 37.811 38.000 -0.049 0.000 1.054 200 I HN 0.086 nan 8.210 nan 0.000 0.407 201 L N 0.223 121.361 121.223 -0.141 0.000 2.465 201 L HA -0.080 4.260 4.340 -0.000 0.000 0.224 201 L C 0.551 177.304 176.870 -0.195 0.000 1.145 201 L CA 0.513 55.215 54.840 -0.229 0.000 0.834 201 L CB -0.536 41.182 42.059 -0.567 0.000 0.944 201 L HN 0.223 nan 8.230 nan 0.000 0.451 202 K N -0.126 120.189 120.400 -0.141 0.000 3.239 202 K HA -0.146 4.174 4.320 -0.000 0.000 0.270 202 K C -0.632 175.896 176.600 -0.120 0.000 1.049 202 K CA 0.128 56.358 56.287 -0.095 0.000 0.769 202 K CB -1.317 31.156 32.500 -0.045 0.000 1.305 202 K HN 0.144 nan 8.250 nan 0.000 0.469 203 V N 0.117 119.930 119.914 -0.169 0.000 3.102 203 V HA 0.642 4.762 4.120 -0.000 0.000 0.312 203 V C -1.900 174.137 176.094 -0.095 0.000 1.135 203 V CA -1.839 60.362 62.300 -0.165 0.000 1.022 203 V CB 2.156 33.781 31.823 -0.330 0.000 1.056 203 V HN 0.171 nan 8.190 nan 0.000 0.436 208 H N 4.334 123.258 119.070 -0.243 0.000 2.548 208 H HA 0.815 5.371 4.556 -0.000 0.000 0.331 208 H C -0.441 174.801 175.328 -0.144 0.000 1.093 208 H CA -0.603 55.325 56.048 -0.199 0.000 1.367 208 H CB 1.928 31.642 29.762 -0.081 0.000 1.455 208 H HN 0.694 nan 8.280 nan 0.000 0.519 209 V N 2.713 122.483 119.914 -0.241 0.000 2.667 209 V HA 0.929 5.048 4.120 -0.000 0.000 0.308 209 V C 0.292 176.173 176.094 -0.355 0.000 1.048 209 V CA 0.186 62.301 62.300 -0.309 0.000 0.928 209 V CB 1.164 32.569 31.823 -0.697 0.000 1.004 209 V HN 1.108 nan 8.190 nan 0.000 0.444 210 G N 2.322 111.007 108.800 -0.193 0.000 2.604 210 G HA2 0.468 4.428 3.960 -0.000 0.000 0.242 210 G HA3 0.468 4.428 3.960 -0.000 0.000 0.242 210 G C -1.116 173.749 174.900 -0.058 0.000 1.208 210 G CA -0.677 44.325 45.100 -0.163 0.000 0.912 210 G HN 0.825 nan 8.290 nan 0.000 0.502 211 E N 2.444 122.590 120.200 -0.091 0.000 3.102 211 E HA 0.077 4.427 4.350 -0.000 0.000 0.235 211 E C -1.418 175.208 176.600 0.043 0.000 0.995 211 E CA -0.131 56.228 56.400 -0.069 0.000 0.950 211 E CB 0.363 29.856 29.700 -0.344 0.000 0.905 211 E HN 0.206 nan 8.360 nan 0.000 0.553 212 P HA -0.247 nan 4.420 nan 0.000 0.230 212 P C -1.672 175.702 177.300 0.124 0.000 1.153 212 P CA 1.321 64.489 63.100 0.113 0.000 0.891 212 P CB -1.039 30.724 31.700 0.105 0.000 0.773 213 P HA 0.195 nan 4.420 nan 0.000 0.249 213 P C 0.376 177.749 177.300 0.121 0.000 1.737 213 P CA 1.211 64.409 63.100 0.162 0.000 1.128 213 P CB -0.528 31.307 31.700 0.225 0.000 1.942 214 A N 1.675 124.538 122.820 0.071 0.000 2.510 214 A HA 0.094 4.414 4.320 -0.000 0.000 0.189 214 A C -0.088 177.510 177.584 0.024 0.000 2.148 214 A CA -0.198 51.852 52.037 0.021 0.000 1.512 214 A CB -0.590 18.420 19.000 0.017 0.000 1.217 214 A HN 0.247 nan 8.150 nan 0.000 0.371 215 L N -0.421 120.836 121.223 0.057 0.000 2.912 215 L HA -0.201 4.138 4.340 -0.000 0.000 0.582 215 L C 0.609 177.551 176.870 0.120 0.000 1.001 215 L CA 0.970 55.860 54.840 0.084 0.000 1.305 215 L CB -1.487 40.611 42.059 0.065 0.000 1.620 215 L HN 0.737 nan 8.230 nan 0.000 0.785 216 Y N 2.382 122.684 120.300 0.003 0.000 2.069 216 Y HA -0.303 4.247 4.550 -0.000 0.000 0.278 216 Y C 2.026 177.919 175.900 -0.010 0.000 1.175 216 Y CA 2.552 60.649 58.100 -0.004 0.000 1.134 216 Y CB -0.086 38.377 38.460 0.004 0.000 0.965 216 Y HN 0.813 nan 8.280 nan 0.000 0.498 217 D N -0.290 120.235 120.400 0.209 0.000 2.149 217 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 217 D C 1.938 178.284 176.300 0.075 0.000 1.001 217 D CA 1.932 55.987 54.000 0.093 0.000 0.849 217 D CB -0.208 40.618 40.800 0.044 0.000 0.939 217 D HN 0.597 nan 8.370 nan 0.000 0.449 218 E N 0.331 120.569 120.200 0.064 0.000 2.072 218 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 218 E C 2.454 179.061 176.600 0.012 0.000 0.982 218 E CA 0.312 56.727 56.400 0.026 0.000 0.803 218 E CB 0.161 29.868 29.700 0.011 0.000 0.755 218 E HN 0.056 nan 8.360 nan 0.000 0.453 219 V N 1.690 121.614 119.914 0.018 0.000 2.392 219 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 219 V C 2.255 178.343 176.094 -0.010 0.000 1.059 219 V CA 1.462 63.749 62.300 -0.021 0.000 1.051 219 V CB -0.436 31.352 31.823 -0.059 0.000 0.658 219 V HN 0.285 nan 8.190 nan 0.000 0.455 220 L N -0.529 120.720 121.223 0.044 0.000 2.217 220 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 220 L C 2.288 179.158 176.870 -0.001 0.000 1.107 220 L CA 1.215 56.075 54.840 0.032 0.000 0.783 220 L CB -0.429 41.676 42.059 0.077 0.000 0.919 220 L HN 0.364 nan 8.230 nan 0.000 0.442 221 E N -0.184 120.015 120.200 -0.001 0.000 2.502 221 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 221 E C 1.786 178.372 176.600 -0.025 0.000 1.062 221 E CA 0.385 56.778 56.400 -0.013 0.000 0.867 221 E CB 0.305 30.000 29.700 -0.007 0.000 0.888 221 E HN 0.551 nan 8.360 nan 0.000 0.510 222 I N -0.088 120.463 120.570 -0.033 0.000 3.616 222 I HA -0.000 4.170 4.170 -0.000 0.000 0.296 222 I C 0.384 176.470 176.117 -0.053 0.000 1.226 222 I CA -0.195 61.078 61.300 -0.045 0.000 1.394 222 I CB 0.359 38.325 38.000 -0.056 0.000 1.171 222 I HN 0.028 nan 8.210 nan 0.000 0.442 223 L N 0.996 122.185 121.223 -0.056 0.000 2.474 223 L HA 0.386 4.726 4.340 -0.000 0.000 0.259 223 L C 0.655 177.488 176.870 -0.062 0.000 1.232 223 L CA 0.394 55.194 54.840 -0.066 0.000 0.821 223 L CB -0.021 41.993 42.059 -0.075 0.000 1.108 223 L HN 0.069 nan 8.230 nan 0.000 0.495 224 G N -0.722 108.037 108.800 -0.069 0.000 2.725 224 G HA2 0.640 4.600 3.960 -0.000 0.000 0.288 224 G HA3 0.640 4.600 3.960 -0.000 0.000 0.288 224 G C -2.917 171.935 174.900 -0.080 0.000 1.399 224 G CA -1.050 44.010 45.100 -0.066 0.000 0.859 224 G HN 0.440 nan 8.290 nan 0.000 0.479 225 P HA 0.135 nan 4.420 nan 0.000 0.260 225 P C 0.969 178.210 177.300 -0.099 0.000 1.172 225 P CA 1.737 64.779 63.100 -0.096 0.000 0.760 225 P CB 0.947 32.600 31.700 -0.077 0.000 0.773 226 G N 2.472 111.191 108.800 -0.135 0.000 2.254 226 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.225 226 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.225 226 G C -0.001 174.841 174.900 -0.095 0.000 1.003 226 G CA -0.218 44.813 45.100 -0.113 0.000 0.622 226 G HN 0.522 nan 8.290 nan 0.000 0.507 227 D N 0.327 120.665 120.400 -0.102 0.000 2.344 227 D HA 0.532 5.172 4.640 -0.000 0.000 0.244 227 D C 0.471 176.696 176.300 -0.125 0.000 1.134 227 D CA 0.264 54.208 54.000 -0.094 0.000 0.930 227 D CB 1.891 42.632 40.800 -0.098 0.000 1.175 227 D HN 0.259 nan 8.370 nan 0.000 0.437 228 V N 0.830 120.662 119.914 -0.138 0.000 2.680 228 V HA 0.403 4.523 4.120 -0.000 0.000 0.309 228 V C -0.070 175.901 176.094 -0.205 0.000 1.052 228 V CA -0.863 61.338 62.300 -0.164 0.000 0.908 228 V CB 2.255 33.982 31.823 -0.159 0.000 1.001 228 V HN 0.230 nan 8.190 nan 0.000 0.431 229 V N 2.981 122.783 119.914 -0.187 0.000 2.376 229 V HA 0.466 4.586 4.120 -0.000 0.000 0.287 229 V C 0.351 176.308 176.094 -0.228 0.000 1.015 229 V CA -0.425 61.746 62.300 -0.216 0.000 0.834 229 V CB 1.767 33.481 31.823 -0.182 0.000 1.001 229 V HN 1.076 nan 8.190 nan 0.000 0.428 230 T N 0.620 115.002 114.554 -0.287 0.000 2.881 230 T HA 0.463 4.813 4.350 -0.000 0.000 0.278 230 T C 0.451 174.952 174.700 -0.332 0.000 0.982 230 T CA -0.293 61.612 62.100 -0.325 0.000 0.989 230 T CB 0.656 69.299 68.868 -0.375 0.000 1.058 230 T HN 0.797 nan 8.240 nan 0.000 0.529 231 H N -2.022 116.982 119.070 -0.110 0.000 2.936 231 H HA -0.186 4.369 4.556 -0.000 0.000 0.276 231 H C 1.693 176.974 175.328 -0.079 0.000 1.216 231 H CA 0.204 56.179 56.048 -0.122 0.000 1.132 231 H CB -2.602 27.038 29.762 -0.204 0.000 1.303 231 H HN 0.983 nan 8.280 nan 0.000 0.370 232 C N -1.589 117.709 119.300 -0.002 0.000 2.413 232 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 232 C C 2.170 177.365 174.990 0.342 0.000 1.265 232 C CA 0.717 59.780 59.018 0.076 0.000 1.752 232 C CB -1.406 26.229 27.740 -0.176 0.000 1.998 232 C HN 0.487 nan 8.230 nan 0.000 0.489 233 F N 3.434 123.481 119.950 0.162 0.000 2.819 233 F HA 0.225 4.752 4.527 -0.000 0.000 0.294 233 F C 1.138 176.934 175.800 -0.007 0.000 1.166 233 F CA -0.865 57.200 58.000 0.108 0.000 1.374 233 F CB -0.340 38.760 39.000 0.166 0.000 0.956 233 F HN 0.437 nan 8.300 nan 0.000 0.509 234 N N 0.513 119.326 118.700 0.189 0.000 2.415 234 N HA 0.025 4.765 4.740 -0.000 0.000 0.248 234 N C 0.750 176.252 175.510 -0.015 0.000 1.271 234 N CA 0.384 53.444 53.050 0.017 0.000 0.913 234 N CB 1.517 40.000 38.487 -0.007 0.000 1.129 234 N HN 0.206 nan 8.380 nan 0.000 0.444 235 G N 0.427 109.173 108.800 -0.091 0.000 3.805 235 G HA2 0.039 3.999 3.960 -0.000 0.000 0.290 235 G HA3 0.039 3.999 3.960 -0.000 0.000 0.290 235 G C -0.010 174.859 174.900 -0.052 0.000 1.077 235 G CA -0.381 44.671 45.100 -0.080 0.000 0.852 235 G HN 0.401 nan 8.290 nan 0.000 0.531 236 K N 1.591 121.969 120.400 -0.037 0.000 2.205 236 K HA 0.270 4.590 4.320 -0.000 0.000 0.279 236 K C 0.544 177.145 176.600 0.001 0.000 1.027 236 K CA -0.298 55.974 56.287 -0.025 0.000 0.932 236 K CB 1.650 34.127 32.500 -0.037 0.000 1.032 236 K HN 0.260 nan 8.250 nan 0.000 0.466 237 S N 0.351 116.052 115.700 0.003 0.000 2.525 237 S HA 0.333 4.803 4.470 -0.000 0.000 0.285 237 S C 1.089 175.708 174.600 0.031 0.000 1.283 237 S CA 0.266 58.474 58.200 0.014 0.000 1.072 237 S CB 0.360 63.567 63.200 0.011 0.000 0.867 237 S HN 0.886 nan 8.310 nan 0.000 0.492 238 G N 1.842 110.665 108.800 0.039 0.000 2.192 238 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 238 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 238 G C 0.310 175.261 174.900 0.085 0.000 0.999 238 G CA 0.213 45.347 45.100 0.057 0.000 0.659 238 G HN 2.044 nan 8.290 nan 0.000 0.503 239 S N -1.165 114.593 115.700 0.096 0.000 3.029 239 S HA 0.601 5.071 4.470 -0.000 0.000 0.244 239 S C -0.184 174.546 174.600 0.217 0.000 0.814 239 S CA 0.860 59.181 58.200 0.203 0.000 1.148 239 S CB 0.266 63.569 63.200 0.171 0.000 1.253 239 S HN 1.447 nan 8.310 nan 0.000 0.555 240 S N 2.481 118.230 115.700 0.082 0.000 2.462 240 S HA 0.708 5.178 4.470 -0.000 0.000 0.294 240 S C 0.440 175.023 174.600 -0.028 0.000 1.144 240 S CA -0.948 57.280 58.200 0.047 0.000 1.088 240 S CB 0.121 63.329 63.200 0.013 0.000 1.009 240 S HN 0.609 nan 8.310 nan 0.000 0.484 244 D N 1.176 121.563 120.400 -0.021 0.000 2.330 244 D HA 0.124 4.764 4.640 -0.000 0.000 0.249 244 D C 0.665 176.970 176.300 0.008 0.000 1.306 244 D CA -0.275 53.717 54.000 -0.013 0.000 0.956 244 D CB 1.182 41.973 40.800 -0.015 0.000 1.261 244 D HN 0.008 nan 8.370 nan 0.000 0.544 245 E N 1.604 121.800 120.200 -0.006 0.000 2.208 245 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 245 E C 0.527 177.168 176.600 0.068 0.000 1.014 245 E CA 1.380 57.788 56.400 0.015 0.000 0.819 245 E CB 0.297 29.983 29.700 -0.024 0.000 0.735 245 E HN 0.620 nan 8.360 nan 0.000 0.469 246 D N -0.052 120.368 120.400 0.033 0.000 2.097 246 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 246 D C 1.961 178.273 176.300 0.019 0.000 0.984 246 D CA 0.711 54.727 54.000 0.027 0.000 0.826 246 D CB -0.271 40.535 40.800 0.009 0.000 0.973 246 D HN 0.106 nan 8.370 nan 0.000 0.460 247 L N -0.317 120.903 121.223 -0.006 0.000 2.131 247 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 247 L C 1.791 178.615 176.870 -0.078 0.000 1.092 247 L CA 1.404 56.198 54.840 -0.077 0.000 0.759 247 L CB -0.574 41.392 42.059 -0.155 0.000 0.903 247 L HN 0.030 nan 8.230 nan 0.000 0.435 248 F N 0.694 120.571 119.950 -0.121 0.000 2.084 248 F HA -0.171 4.356 4.527 -0.000 0.000 0.296 248 F C 2.222 177.990 175.800 -0.054 0.000 1.111 248 F CA 2.077 60.022 58.000 -0.092 0.000 1.224 248 F CB -0.462 38.494 39.000 -0.073 0.000 0.991 248 F HN 0.227 nan 8.300 nan 0.000 0.471 249 N N 0.137 118.948 118.700 0.184 0.000 2.443 249 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 249 N C 1.554 177.047 175.510 -0.030 0.000 1.037 249 N CA 0.812 53.917 53.050 0.092 0.000 0.896 249 N CB -0.078 38.471 38.487 0.103 0.000 0.959 249 N HN 0.260 nan 8.380 nan 0.000 0.442 250 L N 0.509 121.696 121.223 -0.061 0.000 2.253 250 L HA 0.241 4.581 4.340 -0.000 0.000 0.205 250 L C 2.144 178.947 176.870 -0.112 0.000 1.078 250 L CA 0.839 55.638 54.840 -0.068 0.000 0.805 250 L CB -0.533 41.498 42.059 -0.047 0.000 0.963 250 L HN -0.044 nan 8.230 nan 0.000 0.459 251 A N 0.257 122.960 122.820 -0.194 0.000 1.933 251 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 251 A C 2.131 179.585 177.584 -0.216 0.000 1.175 251 A CA 1.812 53.724 52.037 -0.207 0.000 0.628 251 A CB -0.601 18.210 19.000 -0.314 0.000 0.814 251 A HN 0.718 nan 8.150 nan 0.000 0.444 252 E N -1.017 118.999 120.200 -0.306 0.000 2.122 252 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 252 E C 2.071 178.606 176.600 -0.108 0.000 0.977 252 E CA 0.811 57.080 56.400 -0.219 0.000 0.820 252 E CB -0.257 29.289 29.700 -0.256 0.000 0.770 252 E HN 0.350 nan 8.360 nan 0.000 0.462 253 R N 1.005 121.452 120.500 -0.088 0.000 2.073 253 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 253 R C 2.085 178.353 176.300 -0.052 0.000 1.134 253 R CA 1.917 57.986 56.100 -0.051 0.000 0.952 253 R CB -0.972 29.306 30.300 -0.036 0.000 0.850 253 R HN 0.347 nan 8.270 nan 0.000 0.433 254 C N 0.078 119.342 119.300 -0.060 0.000 2.440 254 C HA 0.255 4.715 4.460 -0.000 0.000 0.278 254 C C 1.670 176.617 174.990 -0.071 0.000 1.295 254 C CA -0.070 58.913 59.018 -0.057 0.000 1.738 254 C CB -1.247 26.466 27.740 -0.046 0.000 1.987 254 C HN 0.626 nan 8.230 nan 0.000 0.492 258 G N 1.127 109.861 108.800 -0.110 0.000 2.241 258 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 258 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 258 G C 0.377 175.150 174.900 -0.212 0.000 0.998 258 G CA 0.038 45.044 45.100 -0.157 0.000 0.621 258 G HN 0.282 nan 8.290 nan 0.000 0.519 259 I N 2.499 122.967 120.570 -0.169 0.000 2.598 259 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 259 I C 0.494 176.467 176.117 -0.240 0.000 1.140 259 I CA -0.279 60.918 61.300 -0.173 0.000 1.420 259 I CB 0.479 38.413 38.000 -0.110 0.000 1.387 259 I HN 0.014 nan 8.210 nan 0.000 0.553 260 R N 7.689 128.017 120.500 -0.286 0.000 2.229 260 R HA 0.468 4.808 4.340 -0.000 0.000 0.328 260 R C -0.687 175.534 176.300 -0.131 0.000 1.009 260 R CA -0.705 55.188 56.100 -0.345 0.000 0.864 260 R CB 0.548 30.580 30.300 -0.447 0.000 1.085 260 R HN 0.569 nan 8.270 nan 0.000 0.453 261 L N 2.809 123.996 121.223 -0.059 0.000 2.281 261 L HA 0.249 4.589 4.340 -0.000 0.000 0.285 261 L C 0.279 177.098 176.870 -0.086 0.000 1.074 261 L CA -0.466 54.318 54.840 -0.094 0.000 0.817 261 L CB 0.796 42.767 42.059 -0.147 0.000 1.168 261 L HN 0.451 nan 8.230 nan 0.000 0.434 262 D N 2.040 122.362 120.400 -0.131 0.000 2.198 262 D HA 0.310 4.950 4.640 -0.000 0.000 0.247 262 D C 0.908 177.093 176.300 -0.191 0.000 1.010 262 D CA -0.591 53.332 54.000 -0.128 0.000 0.880 262 D CB 1.578 42.322 40.800 -0.094 0.000 1.209 262 D HN 0.186 nan 8.370 nan 0.000 0.451 263 I N 1.967 122.422 120.570 -0.191 0.000 2.162 263 I HA 0.078 4.248 4.170 -0.000 0.000 0.238 263 I C 1.535 177.606 176.117 -0.075 0.000 1.076 263 I CA 1.405 62.598 61.300 -0.178 0.000 1.353 263 I CB -1.528 36.318 38.000 -0.257 0.000 1.063 263 I HN 0.830 nan 8.210 nan 0.000 0.408 264 G N 2.045 110.779 108.800 -0.110 0.000 2.372 264 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.297 264 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.297 264 G C 1.058 175.984 174.900 0.044 0.000 1.005 264 G CA 1.037 46.053 45.100 -0.141 0.000 1.173 264 G HN 0.530 nan 8.290 nan 0.000 0.511 265 H N 0.565 119.540 119.070 -0.158 0.000 2.255 265 H HA -0.166 4.390 4.556 -0.000 0.000 0.290 265 H C 2.432 177.682 175.328 -0.130 0.000 1.087 265 H CA 3.595 59.555 56.048 -0.147 0.000 1.213 265 H CB -0.464 29.122 29.762 -0.293 0.000 1.349 265 H HN 1.799 nan 8.280 nan 0.000 0.487 266 G N -1.490 107.358 108.800 0.080 0.000 2.574 266 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.282 266 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.282 266 G C 0.950 175.885 174.900 0.058 0.000 1.257 266 G CA 0.740 45.849 45.100 0.014 0.000 0.956 266 G HN 0.847 nan 8.290 nan 0.000 0.560 267 G N -1.333 107.487 108.800 0.034 0.000 3.228 267 G HA2 0.642 4.602 3.960 -0.000 0.000 0.245 267 G HA3 0.642 4.602 3.960 -0.000 0.000 0.245 267 G C 0.692 175.590 174.900 -0.004 0.000 1.051 267 G CA 1.756 46.882 45.100 0.043 0.000 0.809 267 G HN 1.985 nan 8.290 nan 0.000 0.531 268 A N -0.399 122.368 122.820 -0.089 0.000 2.716 268 A HA 0.529 4.849 4.320 -0.000 0.000 0.252 268 A C 1.152 178.598 177.584 -0.229 0.000 1.144 268 A CA 0.536 52.493 52.037 -0.133 0.000 0.995 268 A CB 0.194 19.130 19.000 -0.106 0.000 1.252 268 A HN 0.065 nan 8.150 nan 0.000 0.593 269 S N -0.719 114.804 115.700 -0.296 0.000 2.603 269 S HA 0.406 4.876 4.470 -0.000 0.000 0.232 269 S C -0.504 174.000 174.600 -0.159 0.000 1.016 269 S CA -0.154 57.869 58.200 -0.296 0.000 0.976 269 S CB 0.012 62.869 63.200 -0.572 0.000 0.921 269 S HN 0.490 nan 8.310 nan 0.000 0.516 270 F N 2.210 121.847 119.950 -0.523 0.000 2.520 270 F HA 0.696 5.223 4.527 -0.000 0.000 0.322 270 F C -0.499 175.026 175.800 -0.459 0.000 1.103 270 F CA -1.005 56.660 58.000 -0.559 0.000 0.926 270 F CB 1.860 40.219 39.000 -1.069 0.000 1.154 270 F HN -0.121 nan 8.300 nan 0.000 0.453 271 S N 5.866 120.793 115.700 -1.289 0.000 2.647 271 S HA 0.371 4.841 4.470 -0.000 0.000 0.300 271 S C 0.645 174.572 174.600 -1.123 0.000 1.129 271 S CA -0.533 57.092 58.200 -0.959 0.000 1.029 271 S CB 0.278 63.214 63.200 -0.441 0.000 1.007 271 S HN 0.640 nan 8.310 nan 0.000 0.484 272 F N 3.437 122.969 119.950 -0.696 0.000 2.091 272 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 272 F C 2.505 178.144 175.800 -0.270 0.000 1.103 272 F CA 1.077 58.864 58.000 -0.354 0.000 1.228 272 F CB -0.016 38.912 39.000 -0.120 0.000 0.984 272 F HN 0.498 nan 8.300 nan 0.000 0.477 273 K N 0.547 120.925 120.400 -0.037 0.000 2.000 273 K HA -0.200 4.120 4.320 -0.000 0.000 0.218 273 K C 2.104 178.617 176.600 -0.144 0.000 1.053 273 K CA 1.737 57.981 56.287 -0.072 0.000 0.946 273 K CB -1.326 31.129 32.500 -0.076 0.000 0.723 273 K HN 0.167 nan 8.250 nan 0.000 0.446 274 V N 1.766 121.552 119.914 -0.213 0.000 2.287 274 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 274 V C 2.612 178.454 176.094 -0.419 0.000 1.053 274 V CA 2.155 64.302 62.300 -0.256 0.000 1.027 274 V CB -1.080 30.620 31.823 -0.206 0.000 0.646 274 V HN 0.383 nan 8.190 nan 0.000 0.447 275 A N -0.629 121.931 122.820 -0.432 0.000 1.883 275 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 275 A C 2.291 179.742 177.584 -0.222 0.000 1.186 275 A CA 2.227 54.008 52.037 -0.426 0.000 0.624 275 A CB -0.592 18.515 19.000 0.178 0.000 0.822 275 A HN 0.626 nan 8.150 nan 0.000 0.444 276 E N -0.476 119.672 120.200 -0.087 0.000 2.038 276 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 276 E C 2.289 178.845 176.600 -0.073 0.000 1.000 276 E CA 1.109 57.490 56.400 -0.031 0.000 0.803 276 E CB -0.259 29.437 29.700 -0.005 0.000 0.750 276 E HN 0.560 nan 8.360 nan 0.000 0.448 277 A N 1.028 123.778 122.820 -0.116 0.000 1.908 277 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 277 A C 2.314 179.835 177.584 -0.104 0.000 1.181 277 A CA 1.970 53.934 52.037 -0.122 0.000 0.627 277 A CB -0.680 18.228 19.000 -0.153 0.000 0.818 277 A HN 0.400 nan 8.150 nan 0.000 0.445 278 A N -0.046 122.688 122.820 -0.143 0.000 1.855 278 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 278 A C 2.109 179.720 177.584 0.045 0.000 1.191 278 A CA 1.434 53.460 52.037 -0.019 0.000 0.613 278 A CB -0.613 18.137 19.000 -0.418 0.000 0.829 278 A HN 0.468 nan 8.150 nan 0.000 0.442 279 I N -0.074 120.485 120.570 -0.017 0.000 2.361 279 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 279 I C 2.867 179.025 176.117 0.069 0.000 1.133 279 I CA 0.988 62.334 61.300 0.077 0.000 1.413 279 I CB -0.312 37.745 38.000 0.094 0.000 1.073 279 I HN 0.380 nan 8.210 nan 0.000 0.424 280 A N 0.398 123.239 122.820 0.034 0.000 1.969 280 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 280 A C 2.328 179.935 177.584 0.039 0.000 1.169 280 A CA 1.172 53.225 52.037 0.026 0.000 0.635 280 A CB -0.417 18.579 19.000 -0.005 0.000 0.810 280 A HN 0.304 nan 8.150 nan 0.000 0.445 281 R N -1.682 118.855 120.500 0.062 0.000 2.310 281 R HA 0.180 4.520 4.340 -0.000 0.000 0.202 281 R C 1.322 177.709 176.300 0.145 0.000 0.933 281 R CA 0.650 56.808 56.100 0.097 0.000 1.054 281 R CB 0.027 30.394 30.300 0.112 0.000 0.985 281 R HN 0.674 nan 8.270 nan 0.000 0.489 282 G N 0.681 109.558 108.800 0.129 0.000 2.376 282 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.208 282 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.208 282 G C -0.188 174.790 174.900 0.129 0.000 1.032 282 G CA -0.386 44.784 45.100 0.117 0.000 0.641 282 G HN 0.214 nan 8.290 nan 0.000 0.503 283 L N 2.630 123.948 121.223 0.158 0.000 2.530 283 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 283 L C 0.348 177.370 176.870 0.253 0.000 1.141 283 L CA 0.235 55.168 54.840 0.156 0.000 0.905 283 L CB 0.122 42.237 42.059 0.093 0.000 1.202 283 L HN 0.299 nan 8.230 nan 0.000 0.473 284 L N 7.178 128.536 121.223 0.225 0.000 2.334 284 L HA 0.624 4.964 4.340 -0.000 0.000 0.272 284 L C -1.944 175.050 176.870 0.206 0.000 1.020 284 L CA -1.971 53.017 54.840 0.248 0.000 0.812 284 L CB 1.847 43.995 42.059 0.148 0.000 1.264 284 L HN 0.520 nan 8.230 nan 0.000 0.439 285 P HA 0.021 nan 4.420 nan 0.000 0.276 285 P C 0.123 177.418 177.300 -0.008 0.000 1.230 285 P CA -0.203 62.846 63.100 -0.085 0.000 0.776 285 P CB 0.916 32.515 31.700 -0.169 0.000 0.888 286 F N 2.335 122.207 119.950 -0.129 0.000 2.187 286 F HA 0.032 4.559 4.527 -0.000 0.000 0.295 286 F C 0.947 176.679 175.800 -0.113 0.000 1.091 286 F CA 0.961 58.904 58.000 -0.096 0.000 1.308 286 F CB 0.246 39.194 39.000 -0.087 0.000 1.030 286 F HN 0.289 nan 8.300 nan 0.000 0.487 287 S N -0.054 115.572 115.700 -0.123 0.000 2.536 287 S HA 0.593 5.063 4.470 -0.000 0.000 0.287 287 S C -0.913 173.565 174.600 -0.204 0.000 1.101 287 S CA -0.761 57.313 58.200 -0.211 0.000 0.950 287 S CB 0.972 64.145 63.200 -0.046 0.000 1.056 287 S HN 0.077 nan 8.310 nan 0.000 0.481 288 I N 4.019 124.436 120.570 -0.255 0.000 2.362 288 I HA 0.434 4.604 4.170 -0.000 0.000 0.289 288 I C -0.160 175.802 176.117 -0.259 0.000 0.994 288 I CA -0.312 60.821 61.300 -0.279 0.000 1.158 288 I CB 1.732 39.521 38.000 -0.351 0.000 1.315 288 I HN 0.725 nan 8.210 nan 0.000 0.451 289 S N 1.781 117.349 115.700 -0.220 0.000 2.595 289 S HA 0.426 4.896 4.470 -0.000 0.000 0.281 289 S C 0.445 174.931 174.600 -0.189 0.000 1.117 289 S CA -0.238 57.858 58.200 -0.173 0.000 0.873 289 S CB 1.862 65.017 63.200 -0.075 0.000 1.108 289 S HN 0.685 nan 8.310 nan 0.000 0.477 290 T N -2.337 112.116 114.554 -0.169 0.000 2.976 290 T HA 0.110 4.460 4.350 -0.000 0.000 0.257 290 T C 0.603 175.197 174.700 -0.177 0.000 1.051 290 T CA 1.221 63.214 62.100 -0.178 0.000 1.141 290 T CB -0.860 67.909 68.868 -0.165 0.000 0.881 290 T HN 1.021 nan 8.240 nan 0.000 0.461 291 D N -0.125 120.143 120.400 -0.219 0.000 2.800 291 D HA -0.137 4.503 4.640 -0.000 0.000 0.232 291 D C -0.589 175.709 176.300 -0.003 0.000 1.137 291 D CA 0.047 53.893 54.000 -0.257 0.000 0.718 291 D CB -1.976 38.609 40.800 -0.358 0.000 1.084 291 D HN 0.432 nan 8.370 nan 0.000 0.432 292 L N 1.563 122.767 121.223 -0.032 0.000 2.490 292 L HA 0.404 4.744 4.340 -0.000 0.000 0.274 292 L C 0.813 177.751 176.870 0.114 0.000 1.201 292 L CA 0.861 55.658 54.840 -0.070 0.000 0.869 292 L CB 0.474 42.497 42.059 -0.060 0.000 1.123 292 L HN 0.487 nan 8.230 nan 0.000 0.484 293 H N 0.176 119.312 119.070 0.110 0.000 2.888 293 H HA 0.399 4.955 4.556 -0.000 0.000 0.267 293 H C 0.681 176.025 175.328 0.027 0.000 1.482 293 H CA -0.508 55.612 56.048 0.121 0.000 1.165 293 H CB 0.134 29.997 29.762 0.169 0.000 1.866 293 H HN 0.325 nan 8.280 nan 0.000 0.599 294 G N -1.141 107.826 108.800 0.278 0.000 2.479 294 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 294 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 294 G C 0.281 175.168 174.900 -0.022 0.000 1.115 294 G CA 1.173 46.280 45.100 0.013 0.000 0.757 294 G HN 0.696 nan 8.290 nan 0.000 0.560 295 H N -0.742 118.630 119.070 0.505 0.000 2.662 295 H HA 0.297 4.853 4.556 -0.000 0.000 0.268 295 H C 0.604 176.029 175.328 0.162 0.000 1.152 295 H CA 0.156 56.392 56.048 0.314 0.000 1.072 295 H CB 0.342 30.290 29.762 0.310 0.000 1.660 295 H HN 0.437 nan 8.280 nan 0.000 0.584 299 F N 2.180 122.305 119.950 0.291 0.000 2.171 299 F HA 0.597 5.123 4.527 -0.000 0.000 0.220 299 F C -1.401 174.396 175.800 -0.006 0.000 1.118 299 F CA 0.419 58.577 58.000 0.262 0.000 1.229 299 F CB -0.991 38.114 39.000 0.176 0.000 1.616 299 F HN -0.226 nan 8.300 nan 0.000 0.477 300 P HA -0.176 nan 4.420 nan 0.000 0.212 300 P C 0.825 177.486 177.300 -1.065 0.000 1.174 300 P CA 2.127 64.574 63.100 -1.089 0.000 0.934 300 P CB -0.221 31.201 31.700 -0.462 0.000 0.791 301 V N -1.703 117.721 119.914 -0.816 0.000 2.716 301 V HA 0.264 4.384 4.120 -0.000 0.000 0.304 301 V C 0.527 176.317 176.094 -0.506 0.000 1.053 301 V CA -0.542 61.248 62.300 -0.851 0.000 0.984 301 V CB 1.060 32.478 31.823 -0.674 0.000 1.021 301 V HN 0.148 nan 8.190 nan 0.000 0.467 302 W N 1.928 123.134 121.300 -0.158 0.000 3.471 302 W HA 0.327 4.987 4.660 -0.000 0.000 0.230 302 W C 0.167 176.657 176.519 -0.049 0.000 1.105 302 W CA 0.691 58.045 57.345 0.014 0.000 1.631 302 W CB -0.229 29.341 29.460 0.184 0.000 0.848 302 W HN 0.892 nan 8.180 nan 0.000 0.766 303 D N -2.398 118.099 120.400 0.162 0.000 2.779 303 D HA 0.216 4.856 4.640 -0.000 0.000 0.331 303 D C 0.248 176.524 176.300 -0.041 0.000 1.331 303 D CA -0.687 53.356 54.000 0.072 0.000 0.866 303 D CB 1.211 42.118 40.800 0.178 0.000 1.409 303 D HN -0.243 nan 8.370 nan 0.000 0.486 304 L N 0.708 121.886 121.223 -0.076 0.000 2.044 304 L HA 0.168 4.508 4.340 -0.000 0.000 0.205 304 L C 2.348 179.035 176.870 -0.305 0.000 1.075 304 L CA 2.420 57.120 54.840 -0.233 0.000 0.747 304 L CB -1.124 40.761 42.059 -0.291 0.000 0.903 304 L HN 0.718 nan 8.230 nan 0.000 0.435 305 A N -1.169 121.531 122.820 -0.200 0.000 1.915 305 A HA -0.337 3.982 4.320 -0.000 0.000 0.220 305 A C 2.263 179.827 177.584 -0.033 0.000 1.198 305 A CA 2.939 54.893 52.037 -0.140 0.000 0.647 305 A CB -1.460 17.660 19.000 0.200 0.000 0.825 305 A HN 0.561 nan 8.150 nan 0.000 0.456 306 T N -0.307 114.276 114.554 0.048 0.000 2.708 306 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 306 T C 1.279 175.936 174.700 -0.072 0.000 1.037 306 T CA 1.310 63.459 62.100 0.081 0.000 1.146 306 T CB -0.722 68.249 68.868 0.170 0.000 0.865 306 T HN 0.557 nan 8.240 nan 0.000 0.435 310 K N 1.579 122.076 120.400 0.162 0.000 2.103 310 K HA 0.084 4.404 4.320 -0.000 0.000 0.207 310 K C 1.338 178.122 176.600 0.305 0.000 1.048 310 K CA 1.080 57.542 56.287 0.292 0.000 0.930 310 K CB -0.149 32.472 32.500 0.201 0.000 0.716 310 K HN 0.212 nan 8.250 nan 0.000 0.444 311 L N 0.447 121.753 121.223 0.138 0.000 2.341 311 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 311 L C 2.160 179.141 176.870 0.185 0.000 1.115 311 L CA 0.799 55.739 54.840 0.167 0.000 0.820 311 L CB -0.635 41.447 42.059 0.037 0.000 0.944 311 L HN 0.192 nan 8.230 nan 0.000 0.452 312 L N 0.227 121.567 121.223 0.194 0.000 2.109 312 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 312 L C 2.696 179.665 176.870 0.166 0.000 1.086 312 L CA 1.722 56.686 54.840 0.206 0.000 0.760 312 L CB -0.369 41.856 42.059 0.277 0.000 0.910 312 L HN 0.312 nan 8.230 nan 0.000 0.437 313 S N -2.266 113.535 115.700 0.168 0.000 2.469 313 S HA -0.086 4.384 4.470 -0.000 0.000 0.238 313 S C 1.604 176.268 174.600 0.106 0.000 0.998 313 S CA 1.056 59.323 58.200 0.112 0.000 0.957 313 S CB -0.660 62.587 63.200 0.078 0.000 0.764 313 S HN 0.206 nan 8.310 nan 0.000 0.514 314 V N 1.237 121.251 119.914 0.167 0.000 3.647 314 V HA 0.220 4.340 4.120 -0.000 0.000 0.279 314 V C 0.089 176.254 176.094 0.118 0.000 1.314 314 V CA 0.558 62.952 62.300 0.158 0.000 1.125 314 V CB -1.415 30.561 31.823 0.256 0.000 0.907 314 V HN 0.600 nan 8.190 nan 0.000 0.434 318 F N 2.103 122.103 119.950 0.084 0.000 2.045 318 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 318 F C 2.235 178.094 175.800 0.097 0.000 1.114 318 F CA 2.579 60.645 58.000 0.110 0.000 1.207 318 F CB 0.171 39.208 39.000 0.062 0.000 0.964 318 F HN 0.590 nan 8.300 nan 0.000 0.486 319 E N -0.200 120.108 120.200 0.179 0.000 2.130 319 E HA -0.264 4.085 4.350 -0.000 0.000 0.196 319 E C 1.811 178.380 176.600 -0.052 0.000 0.998 319 E CA 1.484 57.910 56.400 0.044 0.000 0.806 319 E CB -0.202 29.579 29.700 0.136 0.000 0.738 319 E HN 0.468 nan 8.360 nan 0.000 0.459 320 N N -0.289 118.400 118.700 -0.019 0.000 2.300 320 N HA -0.091 4.649 4.740 -0.000 0.000 0.179 320 N C 1.808 177.238 175.510 -0.133 0.000 1.016 320 N CA 0.548 53.565 53.050 -0.055 0.000 0.876 320 N CB -0.165 38.322 38.487 0.001 0.000 0.979 320 N HN 0.005 nan 8.380 nan 0.000 0.432 321 V N 0.551 120.381 119.914 -0.139 0.000 2.358 321 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 321 V C 2.281 178.130 176.094 -0.409 0.000 1.047 321 V CA 1.089 63.248 62.300 -0.235 0.000 1.035 321 V CB -0.410 31.335 31.823 -0.130 0.000 0.658 321 V HN 0.059 nan 8.190 nan 0.000 0.452 322 V N -0.169 119.487 119.914 -0.430 0.000 2.358 322 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 322 V C 2.408 178.304 176.094 -0.329 0.000 1.047 322 V CA 2.195 64.231 62.300 -0.440 0.000 1.035 322 V CB -0.585 31.015 31.823 -0.372 0.000 0.658 322 V HN 0.638 nan 8.190 nan 0.000 0.452 323 E N 0.688 120.730 120.200 -0.263 0.000 2.058 323 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 323 E C 2.063 178.476 176.600 -0.311 0.000 0.997 323 E CA 1.367 57.626 56.400 -0.235 0.000 0.801 323 E CB -0.256 29.334 29.700 -0.182 0.000 0.746 323 E HN 0.556 nan 8.360 nan 0.000 0.450 324 A N 0.298 122.913 122.820 -0.342 0.000 2.277 324 A HA -0.039 4.281 4.320 -0.000 0.000 0.208 324 A C 1.444 178.792 177.584 -0.392 0.000 1.202 324 A CA 0.806 52.608 52.037 -0.391 0.000 0.762 324 A CB 0.125 18.928 19.000 -0.328 0.000 0.770 324 A HN 0.199 nan 8.150 nan 0.000 0.487 325 V N -1.155 118.519 119.914 -0.399 0.000 3.337 325 V HA 0.074 4.194 4.120 -0.000 0.000 0.307 325 V C 1.272 177.206 176.094 -0.266 0.000 1.505 325 V CA 1.036 63.086 62.300 -0.417 0.000 1.072 325 V CB 0.046 31.439 31.823 -0.716 0.000 0.929 325 V HN 0.782 nan 8.190 nan 0.000 0.455 326 T N -2.875 111.549 114.554 -0.216 0.000 3.384 326 T HA 0.123 4.473 4.350 -0.000 0.000 0.151 326 T C 1.619 176.239 174.700 -0.134 0.000 0.896 326 T CA 0.489 62.514 62.100 -0.125 0.000 0.896 326 T CB 0.385 69.196 68.868 -0.096 0.000 1.319 326 T HN -0.010 nan 8.240 nan 0.000 0.293 327 R N 1.444 121.855 120.500 -0.148 0.000 2.113 327 R HA -0.148 4.191 4.340 -0.000 0.000 0.244 327 R C 2.149 178.374 176.300 -0.125 0.000 1.142 327 R CA 2.352 58.382 56.100 -0.117 0.000 0.953 327 R CB -0.498 29.739 30.300 -0.105 0.000 0.860 327 R HN 0.451 nan 8.270 nan 0.000 0.438 328 N N 0.162 118.701 118.700 -0.267 0.000 2.051 328 N HA -0.099 4.641 4.740 -0.000 0.000 0.192 328 N C -1.258 174.155 175.510 -0.162 0.000 1.049 328 N CA 1.583 54.370 53.050 -0.439 0.000 0.845 328 N CB -1.561 36.153 38.487 -1.289 0.000 1.031 328 N HN 0.325 nan 8.380 nan 0.000 0.425 329 P HA -0.048 nan 4.420 nan 0.000 0.221 329 P C 0.841 178.157 177.300 0.025 0.000 1.145 329 P CA 1.302 64.392 63.100 -0.018 0.000 0.795 329 P CB 0.056 31.714 31.700 -0.071 0.000 0.775 330 A N 0.988 123.801 122.820 -0.012 0.000 1.968 330 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 330 A C 2.514 180.117 177.584 0.031 0.000 1.169 330 A CA 1.941 53.980 52.037 0.002 0.000 0.638 330 A CB -1.396 17.593 19.000 -0.019 0.000 0.812 330 A HN 0.396 nan 8.150 nan 0.000 0.446 331 S N -0.054 115.685 115.700 0.065 0.000 2.383 331 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 331 S C 1.917 176.573 174.600 0.092 0.000 1.026 331 S CA 1.426 59.681 58.200 0.092 0.000 0.981 331 S CB -1.074 62.221 63.200 0.158 0.000 0.818 331 S HN 0.996 nan 8.310 nan 0.000 0.472 332 V N 2.741 122.734 119.914 0.132 0.000 2.515 332 V HA 0.066 4.186 4.120 -0.000 0.000 0.250 332 V C 1.906 178.031 176.094 0.052 0.000 1.058 332 V CA 1.667 64.034 62.300 0.111 0.000 1.064 332 V CB -0.810 31.123 31.823 0.183 0.000 0.675 332 V HN 0.752 nan 8.190 nan 0.000 0.461 333 I N -2.304 118.281 120.570 0.023 0.000 3.806 333 I HA 0.400 4.570 4.170 -0.000 0.000 0.321 333 I C 1.082 177.182 176.117 -0.028 0.000 1.315 333 I CA -0.248 61.025 61.300 -0.045 0.000 1.148 333 I CB -0.651 37.310 38.000 -0.066 0.000 1.028 333 I HN 0.231 nan 8.210 nan 0.000 0.415 334 R N 1.000 121.499 120.500 -0.003 0.000 3.333 334 R HA -0.153 4.187 4.340 -0.000 0.000 0.256 334 R C -0.585 175.712 176.300 -0.006 0.000 1.010 334 R CA 0.323 56.422 56.100 -0.001 0.000 0.680 334 R CB -1.629 28.667 30.300 -0.007 0.000 1.102 334 R HN 0.468 nan 8.270 nan 0.000 0.440 335 L N 0.966 122.188 121.223 -0.002 0.000 2.276 335 L HA 0.339 4.678 4.340 -0.000 0.000 0.286 335 L C 0.329 177.198 176.870 -0.002 0.000 1.024 335 L CA -0.428 54.408 54.840 -0.006 0.000 0.826 335 L CB 1.078 43.131 42.059 -0.009 0.000 1.211 335 L HN 0.085 nan 8.230 nan 0.000 0.422 339 N N 1.206 120.002 118.700 0.159 0.000 2.714 339 N HA -0.217 4.523 4.740 -0.000 0.000 0.250 339 N C 0.750 176.364 175.510 0.173 0.000 1.117 339 N CA 0.553 53.692 53.050 0.149 0.000 0.719 339 N CB -0.528 38.011 38.487 0.087 0.000 1.081 339 N HN 0.430 nan 8.380 nan 0.000 0.557 340 R N 0.156 120.818 120.500 0.270 0.000 2.316 340 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 340 R C 1.725 178.208 176.300 0.305 0.000 1.137 340 R CA 0.554 56.815 56.100 0.268 0.000 1.012 340 R CB -0.172 30.324 30.300 0.327 0.000 0.859 340 R HN 0.274 nan 8.270 nan 0.000 0.474 341 L N 0.732 122.089 121.223 0.224 0.000 2.592 341 L HA 0.107 4.447 4.340 -0.000 0.000 0.227 341 L C -0.037 176.868 176.870 0.059 0.000 1.127 341 L CA 0.352 55.248 54.840 0.093 0.000 0.884 341 L CB -0.215 41.687 42.059 -0.262 0.000 1.065 341 L HN -0.103 nan 8.230 nan 0.000 0.457 342 D N -0.972 119.468 120.400 0.066 0.000 2.393 342 D HA 0.219 4.859 4.640 -0.000 0.000 0.246 342 D C 0.139 176.470 176.300 0.052 0.000 1.275 342 D CA 0.081 54.107 54.000 0.043 0.000 0.979 342 D CB 0.826 41.650 40.800 0.040 0.000 1.101 342 D HN -0.051 nan 8.370 nan 0.000 0.505 343 V N -3.423 116.512 119.914 0.035 0.000 2.837 343 V HA 0.691 4.811 4.120 -0.000 0.000 0.310 343 V C 1.358 177.468 176.094 0.027 0.000 1.059 343 V CA -0.041 62.279 62.300 0.033 0.000 1.004 343 V CB 0.779 32.614 31.823 0.021 0.000 1.045 343 V HN 0.809 nan 8.190 nan 0.000 0.465 344 G N 0.834 109.649 108.800 0.024 0.000 2.320 344 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.242 344 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.242 344 G C 0.367 175.275 174.900 0.013 0.000 1.033 344 G CA 0.398 45.507 45.100 0.016 0.000 0.620 344 G HN 0.872 nan 8.290 nan 0.000 0.517 345 Q N 1.178 120.990 119.800 0.021 0.000 2.293 345 Q HA 0.238 4.578 4.340 -0.000 0.000 0.263 345 Q C 0.855 176.849 176.000 -0.011 0.000 1.002 345 Q CA -0.383 55.426 55.803 0.011 0.000 0.910 345 Q CB 0.894 29.649 28.738 0.030 0.000 1.185 345 Q HN 0.524 nan 8.270 nan 0.000 0.401 346 R N 1.582 122.062 120.500 -0.033 0.000 2.523 346 R HA 0.007 4.347 4.340 -0.000 0.000 0.281 346 R C -0.572 175.645 176.300 -0.138 0.000 0.969 346 R CA 0.096 56.160 56.100 -0.060 0.000 1.093 346 R CB 0.361 30.626 30.300 -0.058 0.000 0.917 346 R HN 0.627 nan 8.270 nan 0.000 0.408 347 A N 4.471 127.203 122.820 -0.146 0.000 2.404 347 A HA 0.087 4.407 4.320 -0.000 0.000 0.273 347 A C -0.353 176.963 177.584 -0.447 0.000 1.144 347 A CA -0.078 51.755 52.037 -0.339 0.000 0.806 347 A CB 0.363 19.349 19.000 -0.023 0.000 1.080 347 A HN 0.763 nan 8.150 nan 0.000 0.509 348 D N 3.095 122.992 120.400 -0.838 0.000 2.364 348 D HA 0.484 5.124 4.640 -0.000 0.000 0.251 348 D C -1.406 174.573 176.300 -0.535 0.000 1.282 348 D CA 0.086 53.800 54.000 -0.476 0.000 0.927 348 D CB 0.290 40.926 40.800 -0.273 0.000 1.267 348 D HN 0.308 nan 8.370 nan 0.000 0.531 349 F N -0.128 119.841 119.950 0.031 0.000 2.631 349 F HA 0.547 5.074 4.527 -0.000 0.000 0.328 349 F C 0.631 176.410 175.800 -0.036 0.000 1.067 349 F CA -0.835 57.184 58.000 0.032 0.000 0.969 349 F CB 2.231 41.278 39.000 0.079 0.000 1.332 349 F HN -0.186 nan 8.300 nan 0.000 0.490 350 T N 1.610 116.249 114.554 0.143 0.000 2.906 350 T HA 0.479 4.829 4.350 -0.000 0.000 0.302 350 T C -1.028 173.722 174.700 0.085 0.000 1.002 350 T CA -0.508 61.502 62.100 -0.150 0.000 0.988 350 T CB 1.276 69.609 68.868 -0.893 0.000 0.972 350 T HN 0.297 nan 8.240 nan 0.000 0.447 351 V N 6.201 126.206 119.914 0.153 0.000 2.383 351 V HA 0.725 4.845 4.120 -0.000 0.000 0.275 351 V C -0.375 175.905 176.094 0.310 0.000 1.036 351 V CA -0.551 61.893 62.300 0.240 0.000 0.889 351 V CB -0.023 31.957 31.823 0.263 0.000 0.985 351 V HN 0.839 nan 8.190 nan 0.000 0.459 352 F N 1.881 121.955 119.950 0.206 0.000 2.662 352 F HA 0.786 5.313 4.527 -0.000 0.000 0.312 352 F C -0.838 175.233 175.800 0.452 0.000 1.113 352 F CA -1.040 57.133 58.000 0.289 0.000 0.951 352 F CB 1.662 40.894 39.000 0.387 0.000 1.344 352 F HN 0.292 nan 8.300 nan 0.000 0.462 353 D N 1.203 121.871 120.400 0.447 0.000 2.374 353 D HA 0.444 5.084 4.640 -0.000 0.000 0.239 353 D C -1.541 175.015 176.300 0.426 0.000 0.991 353 D CA -0.342 53.871 54.000 0.356 0.000 0.960 353 D CB 2.873 43.782 40.800 0.181 0.000 1.284 353 D HN 0.577 nan 8.370 nan 0.000 0.512 354 L N 2.494 123.915 121.223 0.329 0.000 2.387 354 L HA 0.235 4.574 4.340 -0.000 0.000 0.259 354 L C -0.450 176.461 176.870 0.068 0.000 1.050 354 L CA -0.661 54.240 54.840 0.102 0.000 0.922 354 L CB 0.570 42.609 42.059 -0.033 0.000 1.280 354 L HN 0.187 nan 8.230 nan 0.000 0.449 355 V N 0.290 120.249 119.914 0.074 0.000 3.134 355 V HA 0.670 4.790 4.120 -0.000 0.000 0.313 355 V C -0.176 175.939 176.094 0.035 0.000 1.069 355 V CA -0.592 61.741 62.300 0.054 0.000 1.048 355 V CB 1.452 33.317 31.823 0.069 0.000 1.119 355 V HN 0.546 nan 8.190 nan 0.000 0.461 356 D N 1.204 121.621 120.400 0.028 0.000 2.193 356 D HA 0.874 5.513 4.640 -0.000 0.000 0.249 356 D C 0.083 176.404 176.300 0.035 0.000 1.034 356 D CA 0.600 54.614 54.000 0.025 0.000 0.902 356 D CB 1.629 42.438 40.800 0.014 0.000 1.182 356 D HN 1.218 nan 8.370 nan 0.000 0.436 357 A N 0.993 123.837 122.820 0.040 0.000 2.467 357 A HA 0.564 4.884 4.320 -0.000 0.000 0.301 357 A C -1.779 175.832 177.584 0.046 0.000 1.126 357 A CA -0.730 51.334 52.037 0.045 0.000 0.632 357 A CB 1.412 20.449 19.000 0.061 0.000 1.331 357 A HN 0.414 nan 8.150 nan 0.000 0.482 358 D N -0.238 120.191 120.400 0.048 0.000 2.330 358 D HA 0.510 5.150 4.640 -0.000 0.000 0.249 358 D C -1.428 174.909 176.300 0.063 0.000 1.306 358 D CA 0.047 54.075 54.000 0.047 0.000 0.956 358 D CB 1.016 41.836 40.800 0.034 0.000 1.261 358 D HN 0.758 nan 8.370 nan 0.000 0.544 359 L N 2.509 123.783 121.223 0.086 0.000 2.386 359 L HA 0.599 4.939 4.340 -0.000 0.000 0.271 359 L C -0.919 176.038 176.870 0.145 0.000 0.993 359 L CA -0.656 54.256 54.840 0.121 0.000 0.819 359 L CB 1.732 43.882 42.059 0.151 0.000 1.294 359 L HN 0.172 nan 8.230 nan 0.000 0.414 360 E N 3.840 124.140 120.200 0.167 0.000 2.223 360 E HA 0.582 4.931 4.350 -0.000 0.000 0.282 360 E C -1.059 175.704 176.600 0.272 0.000 1.046 360 E CA -0.432 56.075 56.400 0.178 0.000 0.857 360 E CB 1.358 31.156 29.700 0.163 0.000 1.055 360 E HN 0.793 nan 8.360 nan 0.000 0.409 361 A N 3.515 126.462 122.820 0.212 0.000 2.355 361 A HA 0.613 4.933 4.320 -0.000 0.000 0.317 361 A C -0.425 177.280 177.584 0.201 0.000 1.094 361 A CA -0.737 51.396 52.037 0.159 0.000 0.764 361 A CB 1.490 20.593 19.000 0.172 0.000 1.230 361 A HN 0.584 nan 8.150 nan 0.000 0.448 362 T N 1.840 116.396 114.554 0.004 0.000 2.895 362 T HA 0.569 4.919 4.350 -0.000 0.000 0.283 362 T C -0.449 174.194 174.700 -0.095 0.000 1.014 362 T CA -0.459 61.674 62.100 0.056 0.000 1.037 362 T CB 1.346 70.233 68.868 0.032 0.000 1.006 362 T HN 0.826 nan 8.240 nan 0.000 0.468 363 D N 0.060 120.444 120.400 -0.027 0.000 2.487 363 D HA 0.333 4.973 4.640 -0.000 0.000 0.262 363 D C 0.971 177.212 176.300 -0.097 0.000 1.130 363 D CA -0.892 53.015 54.000 -0.154 0.000 1.038 363 D CB 0.288 40.757 40.800 -0.553 0.000 1.142 363 D HN 0.260 nan 8.370 nan 0.000 0.575 364 S N -0.665 114.946 115.700 -0.148 0.000 2.419 364 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 364 S C 1.048 175.604 174.600 -0.072 0.000 1.019 364 S CA 0.944 59.078 58.200 -0.110 0.000 0.982 364 S CB -0.511 62.567 63.200 -0.203 0.000 0.789 364 S HN 0.492 nan 8.310 nan 0.000 0.490 365 N N 0.217 118.856 118.700 -0.102 0.000 2.322 365 N HA 0.248 4.988 4.740 -0.000 0.000 0.194 365 N C 1.263 176.782 175.510 0.014 0.000 1.126 365 N CA 0.653 53.672 53.050 -0.052 0.000 0.845 365 N CB 0.283 38.717 38.487 -0.089 0.000 0.976 365 N HN 0.435 nan 8.380 nan 0.000 0.475 366 G N 0.513 109.347 108.800 0.056 0.000 2.347 366 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.247 366 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.247 366 G C -0.168 174.813 174.900 0.135 0.000 1.037 366 G CA 0.472 45.645 45.100 0.121 0.000 0.622 366 G HN 0.592 nan 8.290 nan 0.000 0.521 367 D N 1.157 121.629 120.400 0.120 0.000 2.350 367 D HA 0.504 5.144 4.640 -0.000 0.000 0.249 367 D C 0.714 177.160 176.300 0.242 0.000 1.119 367 D CA -0.469 53.620 54.000 0.148 0.000 0.886 367 D CB 1.695 42.562 40.800 0.113 0.000 1.195 367 D HN 0.383 nan 8.370 nan 0.000 0.437 368 V N 1.271 121.289 119.914 0.174 0.000 3.295 368 V HA 0.617 4.737 4.120 -0.000 0.000 0.308 368 V C 0.364 176.441 176.094 -0.027 0.000 1.068 368 V CA -0.683 61.714 62.300 0.160 0.000 1.062 368 V CB 1.386 33.282 31.823 0.122 0.000 1.162 368 V HN 0.770 nan 8.190 nan 0.000 0.456 369 S N 0.882 116.494 115.700 -0.147 0.000 2.605 369 S HA 0.347 4.817 4.470 -0.000 0.000 0.279 369 S C -0.659 173.831 174.600 -0.183 0.000 1.166 369 S CA -0.988 56.988 58.200 -0.374 0.000 0.975 369 S CB 0.907 63.419 63.200 -1.147 0.000 1.111 369 S HN 0.872 nan 8.310 nan 0.000 0.465 370 R N 4.439 124.877 120.500 -0.103 0.000 2.370 370 R HA 0.387 4.727 4.340 -0.000 0.000 0.309 370 R C -0.592 175.696 176.300 -0.021 0.000 1.059 370 R CA -0.369 55.716 56.100 -0.025 0.000 0.981 370 R CB -0.060 30.234 30.300 -0.010 0.000 0.972 370 R HN 0.515 nan 8.270 nan 0.000 0.437 371 L N 4.313 125.557 121.223 0.035 0.000 2.295 371 L HA 0.133 4.473 4.340 -0.000 0.000 0.288 371 L C 1.490 178.396 176.870 0.061 0.000 1.079 371 L CA -0.400 54.477 54.840 0.061 0.000 0.830 371 L CB 1.082 43.216 42.059 0.124 0.000 1.200 371 L HN 0.759 nan 8.230 nan 0.000 0.438 372 K N 3.347 123.772 120.400 0.042 0.000 2.097 372 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 372 K C 0.455 177.079 176.600 0.041 0.000 1.050 372 K CA 1.185 57.493 56.287 0.035 0.000 0.938 372 K CB 0.304 32.817 32.500 0.022 0.000 0.718 372 K HN 0.523 nan 8.250 nan 0.000 0.442 373 R N 0.315 120.845 120.500 0.050 0.000 2.628 373 R HA 0.346 4.686 4.340 -0.000 0.000 0.288 373 R C -1.204 175.139 176.300 0.071 0.000 0.980 373 R CA -0.825 55.298 56.100 0.038 0.000 0.891 373 R CB 1.442 31.743 30.300 0.002 0.000 1.188 373 R HN -0.047 nan 8.270 nan 0.000 0.450 374 L N -0.617 120.651 121.223 0.074 0.000 2.445 374 L HA 0.603 4.943 4.340 -0.000 0.000 0.262 374 L C -0.858 176.114 176.870 0.171 0.000 0.974 374 L CA -0.837 54.097 54.840 0.157 0.000 0.822 374 L CB 0.620 42.798 42.059 0.199 0.000 1.339 374 L HN 0.298 nan 8.230 nan 0.000 0.409 375 F N 1.185 121.262 119.950 0.211 0.000 2.529 375 F HA 0.427 4.954 4.527 -0.000 0.000 0.365 375 F C 0.904 176.899 175.800 0.324 0.000 1.102 375 F CA 0.521 58.709 58.000 0.312 0.000 1.271 375 F CB 0.590 39.694 39.000 0.175 0.000 1.120 375 F HN 0.479 nan 8.300 nan 0.000 0.579 376 E N 5.055 125.593 120.200 0.563 0.000 2.267 376 E HA 0.216 4.566 4.350 -0.000 0.000 0.248 376 E C -2.610 174.254 176.600 0.439 0.000 0.899 376 E CA -2.079 54.564 56.400 0.404 0.000 0.764 376 E CB 1.529 31.386 29.700 0.263 0.000 1.227 376 E HN 0.206 nan 8.360 nan 0.000 0.421 377 P HA 0.168 nan 4.420 nan 0.000 0.276 377 P C 0.287 177.639 177.300 0.087 0.000 1.235 377 P CA -0.279 62.950 63.100 0.215 0.000 0.772 377 P CB 1.441 33.227 31.700 0.143 0.000 0.871 378 R N 2.376 122.895 120.500 0.032 0.000 2.164 378 R HA 0.208 4.548 4.340 -0.000 0.000 0.198 378 R C 0.273 176.289 176.300 -0.474 0.000 1.028 378 R CA 0.918 56.885 56.100 -0.221 0.000 1.083 378 R CB -0.124 30.078 30.300 -0.164 0.000 1.026 378 R HN 0.531 nan 8.270 nan 0.000 0.514 379 Y N -0.930 119.382 120.300 0.020 0.000 2.562 379 Y HA 0.652 5.202 4.550 -0.000 0.000 0.345 379 Y C -0.725 175.158 175.900 -0.028 0.000 1.045 379 Y CA -1.417 56.688 58.100 0.007 0.000 1.028 379 Y CB 2.027 40.499 38.460 0.020 0.000 1.297 379 Y HN -0.030 nan 8.280 nan 0.000 0.463 380 A N 1.642 124.558 122.820 0.160 0.000 2.340 380 A HA 0.736 5.056 4.320 -0.000 0.000 0.297 380 A C -1.717 175.929 177.584 0.102 0.000 1.195 380 A CA -0.650 51.428 52.037 0.069 0.000 0.769 380 A CB 0.532 19.546 19.000 0.023 0.000 1.163 380 A HN 0.485 nan 8.150 nan 0.000 0.472 381 V N 4.232 124.217 119.914 0.119 0.000 2.347 381 V HA 0.404 4.524 4.120 -0.000 0.000 0.280 381 V C -0.302 175.818 176.094 0.043 0.000 1.021 381 V CA -0.067 62.301 62.300 0.113 0.000 0.847 381 V CB 1.061 33.009 31.823 0.208 0.000 0.990 381 V HN 0.738 nan 8.190 nan 0.000 0.444 382 I N 5.218 125.800 120.570 0.020 0.000 2.502 382 I HA 0.608 4.778 4.170 -0.000 0.000 0.276 382 I C 0.984 177.093 176.117 -0.014 0.000 1.057 382 I CA 0.084 61.374 61.300 -0.017 0.000 1.163 382 I CB 0.985 38.979 38.000 -0.009 0.000 1.288 382 I HN 0.854 nan 8.210 nan 0.000 0.479 383 G N 4.572 113.354 108.800 -0.030 0.000 2.536 383 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.277 383 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.277 383 G C 0.839 175.745 174.900 0.009 0.000 1.155 383 G CA 0.457 45.547 45.100 -0.016 0.000 0.960 383 G HN 0.658 nan 8.290 nan 0.000 0.544 384 A N -0.010 122.816 122.820 0.010 0.000 1.903 384 A HA 0.376 4.696 4.320 -0.000 0.000 0.213 384 A C 1.173 178.769 177.584 0.021 0.000 1.185 384 A CA 1.724 53.771 52.037 0.016 0.000 0.628 384 A CB -0.403 18.603 19.000 0.010 0.000 0.830 384 A HN 0.721 nan 8.150 nan 0.000 0.446 385 E N -0.060 120.151 120.200 0.020 0.000 2.481 385 E HA 0.264 4.614 4.350 -0.000 0.000 0.263 385 E C -0.354 176.271 176.600 0.042 0.000 0.992 385 E CA 0.385 56.802 56.400 0.028 0.000 0.938 385 E CB 0.326 30.040 29.700 0.024 0.000 0.933 385 E HN 0.404 nan 8.360 nan 0.000 0.453 386 A N 4.461 127.312 122.820 0.052 0.000 2.466 386 A HA 0.380 4.700 4.320 -0.000 0.000 0.291 386 A C -0.861 176.794 177.584 0.119 0.000 1.234 386 A CA -0.644 51.439 52.037 0.077 0.000 0.752 386 A CB 0.239 19.259 19.000 0.035 0.000 1.153 386 A HN 0.376 nan 8.150 nan 0.000 0.458 387 I N 2.133 122.778 120.570 0.125 0.000 2.365 387 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 387 I C 0.986 177.187 176.117 0.141 0.000 1.004 387 I CA 0.085 61.452 61.300 0.111 0.000 1.311 387 I CB 1.684 39.725 38.000 0.069 0.000 1.401 387 I HN 0.667 nan 8.210 nan 0.000 0.491 388 A N 5.342 128.219 122.820 0.095 0.000 2.454 388 A HA 0.717 5.036 4.320 -0.000 0.000 0.260 388 A C 0.218 177.785 177.584 -0.027 0.000 1.106 388 A CA -0.069 51.967 52.037 -0.002 0.000 0.780 388 A CB -0.132 18.859 19.000 -0.014 0.000 1.044 388 A HN 0.858 nan 8.150 nan 0.000 0.498 389 A N 2.272 125.039 122.820 -0.088 0.000 2.346 389 A HA 0.962 5.282 4.320 -0.000 0.000 0.313 389 A C 0.099 177.668 177.584 -0.025 0.000 1.140 389 A CA 0.111 52.130 52.037 -0.029 0.000 0.826 389 A CB 1.139 20.128 19.000 -0.019 0.000 1.332 389 A HN 2.393 nan 8.150 nan 0.000 0.457 390 S N -0.404 115.321 115.700 0.041 0.000 2.622 390 S HA 0.487 4.957 4.470 -0.000 0.000 0.275 390 S C -0.819 173.849 174.600 0.114 0.000 1.112 390 S CA -1.019 57.218 58.200 0.062 0.000 0.837 390 S CB 0.509 63.722 63.200 0.022 0.000 1.082 390 S HN 0.863 nan 8.310 nan 0.000 0.456 391 R N -0.178 120.399 120.500 0.127 0.000 2.801 391 R HA 0.346 4.685 4.340 -0.000 0.000 0.273 391 R C -0.373 176.014 176.300 0.144 0.000 1.080 391 R CA -0.469 55.729 56.100 0.164 0.000 1.197 391 R CB 0.162 30.557 30.300 0.158 0.000 1.109 391 R HN 0.688 nan 8.270 nan 0.000 0.535 392 Y N 1.730 122.058 120.300 0.046 0.000 2.314 392 Y HA 0.326 4.876 4.550 -0.000 0.000 0.334 392 Y C 0.243 176.060 175.900 -0.139 0.000 1.266 392 Y CA -0.442 57.655 58.100 -0.004 0.000 1.391 392 Y CB 0.497 38.998 38.460 0.067 0.000 1.306 392 Y HN 0.421 nan 8.280 nan 0.000 0.558 393 I N 0.000 119.973 120.570 -0.995 0.000 2.984 393 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 393 I CA 0.000 60.804 61.300 -0.826 0.000 1.566 393 I CB 0.000 37.732 38.000 -0.446 0.000 1.214 393 I HN 0.000 nan 8.210 nan 0.000 0.494