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 3lzf_1_A DATA FIRST_RESID 11 DATA SEQUENCE DTICIGYHAN NSTDTVDTVL EKNVTVTHSV NLLEDSHNGK LCKKGIAPLQ DATA SEQUENCE LGKcNIAGWL LGNPEcDLLL TASWSYIVET SNSEGTcYPG DFIDYEELRE DATA SEQUENCE QLSSVSSFEK FEIFSSWPNH ETKGVTAAcS YAGASSFYRN LLWLTKKGSS DATA SEQUENCE YPKLSKSYVN NKGKEVLVLW GVHHPPTGTD QQSLYQNADA YVSVGSSKYN DATA SEQUENCE RRFTPEIAAR PKVRDQAGRM NYYWTLLEPG DTITFEATGN LIAPWYAFAL DATA SEQUENCE NRGGSGIITS DAPVHDCNTK cQTPHGAINS SLPFQNIHPV TIGEcPKYVR DATA SEQUENCE STKLRMATGL RNIPS 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 11 D HA 0.000 nan 4.640 nan 0.000 0.175 11 D C 0.000 176.298 176.300 -0.003 0.000 2.045 11 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 11 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 12 T N -0.326 114.226 114.554 -0.004 0.000 2.868 12 T HA 0.815 5.165 4.350 -0.000 0.000 0.306 12 T C -0.594 174.103 174.700 -0.005 0.000 1.224 12 T CA -0.784 61.313 62.100 -0.005 0.000 1.012 12 T CB 1.945 70.809 68.868 -0.006 0.000 1.221 12 T HN 0.322 nan 8.240 nan 0.000 0.499 13 I N 0.440 121.007 120.570 -0.005 0.000 2.686 13 I HA 0.719 4.889 4.170 -0.000 0.000 0.295 13 I C -1.319 174.794 176.117 -0.007 0.000 1.114 13 I CA -0.672 60.624 61.300 -0.005 0.000 1.038 13 I CB 1.498 39.496 38.000 -0.003 0.000 1.238 13 I HN 1.001 nan 8.210 nan 0.000 0.420 14 C N 6.258 125.551 119.300 -0.011 0.000 2.802 14 C HA 0.623 5.083 4.460 -0.000 0.000 0.307 14 C C -0.618 174.364 174.990 -0.014 0.000 1.222 14 C CA -0.654 58.354 59.018 -0.015 0.000 1.580 14 C CB 1.504 29.227 27.740 -0.027 0.000 2.119 14 C HN 0.474 nan 8.230 nan 0.000 0.479 15 I N 2.230 122.793 120.570 -0.011 0.000 2.354 15 I HA 0.735 4.905 4.170 -0.000 0.000 0.292 15 I C 0.699 176.801 176.117 -0.025 0.000 0.989 15 I CA 0.656 61.955 61.300 -0.001 0.000 1.188 15 I CB 1.125 39.137 38.000 0.020 0.000 1.342 15 I HN 0.913 nan 8.210 nan 0.000 0.457 16 G N 4.540 113.319 108.800 -0.035 0.000 2.687 16 G HA2 0.677 4.637 3.960 -0.000 0.000 0.291 16 G HA3 0.677 4.637 3.960 -0.000 0.000 0.291 16 G C -1.910 172.966 174.900 -0.039 0.000 1.420 16 G CA -0.545 44.468 45.100 -0.145 0.000 0.796 16 G HN 0.401 nan 8.290 nan 0.000 0.485 17 Y N -1.709 118.616 120.300 0.041 0.000 2.570 17 Y HA 0.783 5.333 4.550 -0.000 0.000 0.345 17 Y C 0.208 176.165 175.900 0.096 0.000 1.014 17 Y CA -1.612 56.529 58.100 0.068 0.000 1.063 17 Y CB 0.694 39.187 38.460 0.056 0.000 1.272 17 Y HN 0.823 nan 8.280 nan 0.000 0.477 18 H N 1.098 120.323 119.070 0.260 0.000 2.767 18 H HA 0.633 5.189 4.556 -0.000 0.000 0.380 18 H C -0.701 174.754 175.328 0.212 0.000 1.409 18 H CA 0.654 56.807 56.048 0.175 0.000 1.463 18 H CB 0.526 30.381 29.762 0.155 0.000 1.514 18 H HN 1.106 nan 8.280 nan 0.000 0.619 19 A N 1.816 124.183 122.820 -0.755 0.000 2.549 19 A HA 0.489 4.809 4.320 -0.000 0.000 0.291 19 A C -1.386 175.839 177.584 -0.598 0.000 1.034 19 A CA -0.337 51.430 52.037 -0.450 0.000 0.655 19 A CB 0.840 19.757 19.000 -0.137 0.000 1.299 19 A HN 1.164 nan 8.150 nan 0.000 0.427 20 N N -1.198 117.338 118.700 -0.273 0.000 3.427 20 N HA 0.270 5.010 4.740 -0.000 0.000 0.313 20 N C -0.397 175.061 175.510 -0.087 0.000 1.491 20 N CA -0.037 52.917 53.050 -0.161 0.000 0.870 20 N CB 0.005 38.431 38.487 -0.101 0.000 1.763 20 N HN 0.611 nan 8.380 nan 0.000 0.502 21 N N -1.045 117.622 118.700 -0.055 0.000 2.383 21 N HA 0.096 4.836 4.740 -0.000 0.000 0.192 21 N C -0.390 175.093 175.510 -0.044 0.000 1.141 21 N CA -0.089 52.937 53.050 -0.041 0.000 0.851 21 N CB -0.125 38.347 38.487 -0.025 0.000 0.976 21 N HN 0.562 nan 8.380 nan 0.000 0.465 22 S N 0.090 115.751 115.700 -0.065 0.000 2.563 22 S HA 0.092 4.562 4.470 -0.000 0.000 0.284 22 S C 0.575 175.148 174.600 -0.046 0.000 1.331 22 S CA 0.270 58.429 58.200 -0.069 0.000 1.047 22 S CB 0.136 63.268 63.200 -0.113 0.000 0.859 22 S HN 0.499 nan 8.310 nan 0.000 0.514 23 T N 0.816 115.348 114.554 -0.036 0.000 3.355 23 T HA 0.307 4.657 4.350 -0.000 0.000 0.276 23 T C -0.821 173.866 174.700 -0.021 0.000 1.003 23 T CA -0.783 61.302 62.100 -0.025 0.000 0.943 23 T CB -0.193 68.664 68.868 -0.019 0.000 1.158 23 T HN 0.460 nan 8.240 nan 0.000 0.513 24 D N 3.614 123.999 120.400 -0.025 0.000 2.308 24 D HA 0.375 5.015 4.640 -0.000 0.000 0.251 24 D C 0.420 176.713 176.300 -0.010 0.000 1.127 24 D CA 0.290 54.281 54.000 -0.015 0.000 0.876 24 D CB 1.623 42.414 40.800 -0.016 0.000 1.176 24 D HN 0.538 nan 8.370 nan 0.000 0.446 25 T N -1.422 113.128 114.554 -0.006 0.000 2.856 25 T HA 0.690 5.040 4.350 -0.000 0.000 0.283 25 T C 0.115 174.813 174.700 -0.002 0.000 1.008 25 T CA -0.847 61.251 62.100 -0.005 0.000 0.997 25 T CB 1.475 70.339 68.868 -0.007 0.000 0.992 25 T HN 0.189 nan 8.240 nan 0.000 0.454 26 V N -1.157 118.756 119.914 -0.002 0.000 3.158 26 V HA 0.788 4.908 4.120 -0.000 0.000 0.311 26 V C -1.443 174.648 176.094 -0.005 0.000 1.181 26 V CA -1.104 61.195 62.300 -0.001 0.000 1.054 26 V CB 2.172 33.997 31.823 0.004 0.000 1.085 26 V HN 0.932 nan 8.190 nan 0.000 0.446 27 D N 1.142 121.537 120.400 -0.007 0.000 2.269 27 D HA 0.737 5.377 4.640 -0.000 0.000 0.244 27 D C -0.385 175.909 176.300 -0.010 0.000 0.992 27 D CA 0.129 54.122 54.000 -0.010 0.000 0.894 27 D CB 2.208 42.999 40.800 -0.015 0.000 1.248 27 D HN 1.091 nan 8.370 nan 0.000 0.468 28 T N -3.432 111.116 114.554 -0.011 0.000 2.883 28 T HA 0.297 4.646 4.350 -0.000 0.000 0.296 28 T C 1.256 175.949 174.700 -0.011 0.000 1.117 28 T CA -0.732 61.362 62.100 -0.010 0.000 1.006 28 T CB 0.854 69.716 68.868 -0.010 0.000 1.191 28 T HN -0.014 nan 8.240 nan 0.000 0.508 29 V N 1.108 121.016 119.914 -0.011 0.000 2.278 29 V HA -0.149 3.971 4.120 -0.000 0.000 0.251 29 V C 2.434 178.521 176.094 -0.010 0.000 1.062 29 V CA 1.867 64.160 62.300 -0.011 0.000 1.038 29 V CB -1.117 30.700 31.823 -0.010 0.000 0.646 29 V HN 0.777 nan 8.190 nan 0.000 0.447 30 L N -0.984 120.233 121.223 -0.010 0.000 2.375 30 L HA 0.221 4.561 4.340 -0.000 0.000 0.215 30 L C 0.978 177.843 176.870 -0.009 0.000 1.108 30 L CA 0.518 55.353 54.840 -0.009 0.000 0.830 30 L CB 0.248 42.301 42.059 -0.009 0.000 0.959 30 L HN 0.522 nan 8.230 nan 0.000 0.457 31 E N -0.120 120.074 120.200 -0.010 0.000 2.354 31 E HA 0.250 4.600 4.350 -0.000 0.000 0.283 31 E C -1.161 175.433 176.600 -0.010 0.000 0.938 31 E CA -0.687 55.708 56.400 -0.009 0.000 0.777 31 E CB 1.768 31.462 29.700 -0.009 0.000 1.222 31 E HN -0.143 nan 8.360 nan 0.000 0.423 32 K N 1.664 122.058 120.400 -0.010 0.000 2.107 32 K HA 0.247 4.567 4.320 -0.000 0.000 0.251 32 K C 0.013 176.607 176.600 -0.009 0.000 1.012 32 K CA -0.196 56.085 56.287 -0.010 0.000 0.920 32 K CB 0.428 32.922 32.500 -0.010 0.000 1.033 32 K HN 0.633 nan 8.250 nan 0.000 0.478 33 N N 0.349 119.043 118.700 -0.009 0.000 2.707 33 N HA -0.174 4.566 4.740 -0.000 0.000 0.253 33 N C -1.391 174.114 175.510 -0.008 0.000 0.998 33 N CA 0.287 53.332 53.050 -0.008 0.000 0.751 33 N CB -0.868 37.614 38.487 -0.008 0.000 0.920 33 N HN 0.240 nan 8.380 nan 0.000 0.539 34 V N 1.142 121.052 119.914 -0.008 0.000 2.508 34 V HA 0.127 4.247 4.120 -0.000 0.000 0.281 34 V C 1.024 177.113 176.094 -0.007 0.000 1.041 34 V CA -0.071 62.224 62.300 -0.008 0.000 1.016 34 V CB 1.173 32.991 31.823 -0.009 0.000 0.984 34 V HN 0.329 nan 8.190 nan 0.000 0.478 35 T N 5.704 120.254 114.554 -0.007 0.000 2.869 35 T HA 0.504 4.854 4.350 -0.000 0.000 0.295 35 T C -0.093 174.603 174.700 -0.006 0.000 0.987 35 T CA -0.239 61.856 62.100 -0.008 0.000 1.109 35 T CB 1.131 69.993 68.868 -0.010 0.000 0.932 35 T HN 0.731 nan 8.240 nan 0.000 0.518 36 V N 0.391 120.301 119.914 -0.005 0.000 2.962 36 V HA 0.636 4.756 4.120 -0.000 0.000 0.313 36 V C 1.179 177.272 176.094 -0.001 0.000 1.099 36 V CA -0.589 61.716 62.300 0.009 0.000 0.971 36 V CB 1.311 33.148 31.823 0.024 0.000 1.028 36 V HN 0.858 nan 8.190 nan 0.000 0.430 37 T N -0.870 113.710 114.554 0.044 0.000 2.904 37 T HA 0.077 4.427 4.350 -0.000 0.000 0.267 37 T C 0.518 175.025 174.700 -0.322 0.000 1.059 37 T CA 1.602 63.693 62.100 -0.015 0.000 1.137 37 T CB -0.492 68.549 68.868 0.289 0.000 0.879 37 T HN 0.921 nan 8.240 nan 0.000 0.467 38 H N 0.050 119.153 119.070 0.055 0.000 2.996 38 H HA 0.672 5.228 4.556 -0.000 0.000 0.368 38 H C -0.936 174.408 175.328 0.026 0.000 1.185 38 H CA -0.411 55.662 56.048 0.042 0.000 1.160 38 H CB 2.187 31.974 29.762 0.041 0.000 1.820 38 H HN 0.410 nan 8.280 nan 0.000 0.547 39 S N 0.442 116.219 115.700 0.128 0.000 2.556 39 S HA 0.520 4.990 4.470 -0.000 0.000 0.280 39 S C -1.130 173.507 174.600 0.061 0.000 1.141 39 S CA -0.767 57.480 58.200 0.077 0.000 0.883 39 S CB 0.474 63.702 63.200 0.047 0.000 1.103 39 S HN 0.822 nan 8.310 nan 0.000 0.453 40 V N 0.557 120.501 119.914 0.051 0.000 2.612 40 V HA 0.647 4.767 4.120 -0.000 0.000 0.301 40 V C 0.166 176.284 176.094 0.041 0.000 1.046 40 V CA -0.795 61.530 62.300 0.043 0.000 0.946 40 V CB 1.524 33.370 31.823 0.037 0.000 1.003 40 V HN 1.050 nan 8.190 nan 0.000 0.459 41 N N 2.862 121.585 118.700 0.039 0.000 2.426 41 N HA 0.391 5.131 4.740 -0.000 0.000 0.275 41 N C 0.223 175.768 175.510 0.057 0.000 1.019 41 N CA -0.688 52.388 53.050 0.044 0.000 0.941 41 N CB 1.617 40.126 38.487 0.037 0.000 1.123 41 N HN 0.826 nan 8.380 nan 0.000 0.486 42 L N 2.456 123.730 121.223 0.085 0.000 2.529 42 L HA 0.178 4.518 4.340 -0.000 0.000 0.223 42 L C 0.268 177.241 176.870 0.172 0.000 1.113 42 L CA 0.103 55.021 54.840 0.129 0.000 0.861 42 L CB 0.086 42.273 42.059 0.213 0.000 1.012 42 L HN 0.513 nan 8.230 nan 0.000 0.461 43 L N 0.860 122.163 121.223 0.132 0.000 2.276 43 L HA 0.386 4.726 4.340 -0.000 0.000 0.286 43 L C -0.155 176.771 176.870 0.094 0.000 1.024 43 L CA -0.417 54.503 54.840 0.134 0.000 0.826 43 L CB 1.017 43.122 42.059 0.076 0.000 1.211 43 L HN -0.126 nan 8.230 nan 0.000 0.422 44 E N 2.853 123.115 120.200 0.103 0.000 2.259 44 E HA 0.279 4.629 4.350 -0.000 0.000 0.281 44 E C -0.380 176.281 176.600 0.101 0.000 1.037 44 E CA 0.080 56.533 56.400 0.088 0.000 0.854 44 E CB 0.874 30.624 29.700 0.083 0.000 1.051 44 E HN 0.643 nan 8.360 nan 0.000 0.409 45 D N 1.533 121.988 120.400 0.091 0.000 2.594 45 D HA 0.131 4.771 4.640 -0.000 0.000 0.256 45 D C -0.619 175.750 176.300 0.115 0.000 1.393 45 D CA -0.356 53.710 54.000 0.110 0.000 0.797 45 D CB -0.081 40.766 40.800 0.079 0.000 1.110 45 D HN 0.110 nan 8.370 nan 0.000 0.495 46 S N -0.200 115.559 115.700 0.097 0.000 2.578 46 S HA 0.715 5.185 4.470 -0.000 0.000 0.301 46 S C -0.825 173.847 174.600 0.119 0.000 1.091 46 S CA -0.676 57.551 58.200 0.045 0.000 1.032 46 S CB 1.144 64.347 63.200 0.004 0.000 1.064 46 S HN 0.607 nan 8.310 nan 0.000 0.508 47 H N -0.905 118.188 119.070 0.038 0.000 3.037 47 H HA 0.534 5.090 4.556 -0.000 0.000 0.355 47 H C 0.417 175.761 175.328 0.027 0.000 1.263 47 H CA -0.893 55.178 56.048 0.038 0.000 1.129 47 H CB -0.022 29.772 29.762 0.055 0.000 1.861 47 H HN 0.349 nan 8.280 nan 0.000 0.546 48 N N 0.670 119.465 118.700 0.158 0.000 2.139 48 N HA -0.239 4.501 4.740 -0.000 0.000 0.199 48 N C 1.819 177.394 175.510 0.109 0.000 1.003 48 N CA 3.563 56.683 53.050 0.116 0.000 0.892 48 N CB -0.569 37.993 38.487 0.125 0.000 1.039 48 N HN 1.097 nan 8.380 nan 0.000 0.461 49 G N -1.695 107.267 108.800 0.269 0.000 2.205 49 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 49 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 49 G C 0.094 175.038 174.900 0.073 0.000 0.980 49 G CA 0.965 46.173 45.100 0.179 0.000 0.632 49 G HN 0.531 nan 8.290 nan 0.000 0.533 50 K N -0.620 119.804 120.400 0.040 0.000 2.395 50 K HA 0.729 5.049 4.320 -0.000 0.000 0.247 50 K C -0.194 176.381 176.600 -0.042 0.000 0.973 50 K CA -0.991 55.242 56.287 -0.090 0.000 0.828 50 K CB 1.809 34.205 32.500 -0.173 0.000 1.272 50 K HN 0.067 nan 8.250 nan 0.000 0.439 51 L N 2.236 123.420 121.223 -0.065 0.000 2.260 51 L HA 0.372 4.712 4.340 -0.000 0.000 0.289 51 L C -0.491 176.417 176.870 0.064 0.000 1.057 51 L CA -0.751 54.109 54.840 0.034 0.000 0.811 51 L CB 0.650 42.737 42.059 0.046 0.000 1.184 51 L HN 0.617 nan 8.230 nan 0.000 0.429 52 C N 2.253 121.624 119.300 0.118 0.000 2.531 52 C HA 0.457 4.917 4.460 -0.000 0.000 0.369 52 C C 0.950 176.035 174.990 0.158 0.000 1.258 52 C CA -0.990 58.093 59.018 0.108 0.000 1.876 52 C CB 2.033 29.820 27.740 0.079 0.000 2.256 52 C HN 0.774 nan 8.230 nan 0.000 0.510 53 K N 0.292 120.755 120.400 0.106 0.000 2.774 53 K HA 0.105 4.425 4.320 -0.000 0.000 0.297 53 K C 0.472 177.140 176.600 0.114 0.000 1.044 53 K CA -0.216 56.134 56.287 0.105 0.000 1.011 53 K CB -0.043 32.491 32.500 0.058 0.000 1.214 53 K HN 0.426 nan 8.250 nan 0.000 0.477 54 K N 0.653 121.070 120.400 0.029 0.000 3.754 54 K HA -0.295 4.025 4.320 -0.000 0.000 0.257 54 K C 0.699 177.308 176.600 0.015 0.000 0.754 54 K CA 0.782 57.079 56.287 0.016 0.000 0.538 54 K CB -1.699 30.806 32.500 0.007 0.000 1.762 54 K HN 0.866 nan 8.250 nan 0.000 0.454 55 G N -0.577 108.237 108.800 0.022 0.000 2.220 55 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.269 55 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.269 55 G C 0.139 175.049 174.900 0.016 0.000 0.977 55 G CA 0.445 45.556 45.100 0.018 0.000 0.634 55 G HN 0.294 nan 8.290 nan 0.000 0.539 56 I N 1.621 122.202 120.570 0.019 0.000 2.385 56 I HA 0.675 4.845 4.170 -0.000 0.000 0.294 56 I C 0.847 176.974 176.117 0.016 0.000 0.988 56 I CA -0.190 61.115 61.300 0.009 0.000 1.265 56 I CB 1.652 39.647 38.000 -0.009 0.000 1.388 56 I HN 0.355 nan 8.210 nan 0.000 0.480 57 A N 7.954 130.770 122.820 -0.007 0.000 2.322 57 A HA 0.700 5.020 4.320 -0.000 0.000 0.269 57 A C -2.353 175.156 177.584 -0.126 0.000 1.094 57 A CA -1.258 50.750 52.037 -0.048 0.000 0.807 57 A CB -0.288 18.684 19.000 -0.045 0.000 1.047 57 A HN 0.501 nan 8.150 nan 0.000 0.487 58 P HA 0.272 nan 4.420 nan 0.000 0.274 58 P C -0.812 176.254 177.300 -0.389 0.000 1.246 58 P CA -0.381 62.349 63.100 -0.616 0.000 0.795 58 P CB 0.623 31.588 31.700 -1.225 0.000 1.006 59 L N 1.524 122.471 121.223 -0.461 0.000 2.257 59 L HA 0.329 4.669 4.340 -0.000 0.000 0.290 59 L C 0.012 176.575 176.870 -0.512 0.000 1.044 59 L CA -0.385 54.150 54.840 -0.509 0.000 0.810 59 L CB 0.420 41.955 42.059 -0.875 0.000 1.193 59 L HN 0.204 nan 8.230 nan 0.000 0.425 60 Q N 4.302 123.874 119.800 -0.381 0.000 2.423 60 Q HA 0.265 4.605 4.340 -0.000 0.000 0.235 60 Q C 0.184 175.991 176.000 -0.323 0.000 1.100 60 Q CA 0.323 55.942 55.803 -0.307 0.000 0.908 60 Q CB 0.494 29.109 28.738 -0.206 0.000 1.312 60 Q HN 0.863 nan 8.270 nan 0.000 0.497 61 L N 2.868 123.873 121.223 -0.363 0.000 2.456 61 L HA -0.010 4.330 4.340 -0.000 0.000 0.224 61 L C 1.535 178.293 176.870 -0.186 0.000 1.148 61 L CA 0.616 55.263 54.840 -0.322 0.000 0.825 61 L CB -1.073 40.798 42.059 -0.314 0.000 0.937 61 L HN 0.990 nan 8.230 nan 0.000 0.450 62 G N 1.524 110.232 108.800 -0.154 0.000 2.692 62 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.339 62 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.339 62 G C 1.172 176.027 174.900 -0.074 0.000 1.226 62 G CA 0.951 45.991 45.100 -0.100 0.000 0.979 62 G HN 0.384 nan 8.290 nan 0.000 0.549 63 K N 1.250 121.618 120.400 -0.054 0.000 2.400 63 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 63 K C 1.007 177.590 176.600 -0.027 0.000 1.033 63 K CA 0.899 57.165 56.287 -0.034 0.000 1.021 63 K CB -0.440 32.047 32.500 -0.021 0.000 0.808 63 K HN 0.563 nan 8.250 nan 0.000 0.505 64 c N 2.056 120.635 118.600 -0.036 0.000 2.403 64 c HA 0.329 4.899 4.570 -0.000 0.000 0.361 64 c C 0.527 174.601 174.090 -0.028 0.000 1.274 64 c CA -0.885 55.434 56.329 -0.017 0.000 2.433 64 c CB 0.661 43.174 42.510 0.006 0.000 2.323 64 c HN 0.701 nan 8.230 nan 0.000 0.614 65 N N -0.592 118.111 118.700 0.005 0.000 3.091 65 N HA 0.421 5.161 4.740 -0.000 0.000 0.329 65 N C 0.393 175.951 175.510 0.079 0.000 1.430 65 N CA -0.739 52.319 53.050 0.013 0.000 0.755 65 N CB 0.026 38.529 38.487 0.026 0.000 1.626 65 N HN 0.273 nan 8.380 nan 0.000 0.614 66 I N -0.211 120.426 120.570 0.112 0.000 2.226 66 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 66 I C 2.265 178.483 176.117 0.168 0.000 1.100 66 I CA 1.594 63.005 61.300 0.185 0.000 1.374 66 I CB -1.987 36.053 38.000 0.067 0.000 1.057 66 I HN 0.762 nan 8.210 nan 0.000 0.413 67 A N 1.079 123.965 122.820 0.110 0.000 1.865 67 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 67 A C 2.540 180.148 177.584 0.040 0.000 1.191 67 A CA 2.055 54.118 52.037 0.043 0.000 0.623 67 A CB -1.433 17.485 19.000 -0.137 0.000 0.826 67 A HN 0.418 nan 8.150 nan 0.000 0.444 68 G N -1.606 107.227 108.800 0.055 0.000 2.442 68 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 68 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 68 G C 1.378 176.367 174.900 0.148 0.000 1.141 68 G CA 1.261 46.410 45.100 0.083 0.000 0.763 68 G HN 0.724 nan 8.290 nan 0.000 0.554 69 W N 1.145 122.414 121.300 -0.052 0.000 2.379 69 W HA 0.098 4.758 4.660 -0.000 0.000 0.307 69 W C 2.180 178.679 176.519 -0.034 0.000 1.200 69 W CA 1.024 58.333 57.345 -0.061 0.000 1.297 69 W CB -0.579 28.808 29.460 -0.122 0.000 1.140 69 W HN 0.122 nan 8.180 nan 0.000 0.507 70 L N 0.074 121.156 121.223 -0.234 0.000 2.131 70 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 70 L C 2.498 179.293 176.870 -0.125 0.000 1.087 70 L CA 0.946 55.498 54.840 -0.479 0.000 0.767 70 L CB -0.875 40.920 42.059 -0.441 0.000 0.917 70 L HN 0.008 nan 8.230 nan 0.000 0.441 71 L N -0.278 120.881 121.223 -0.107 0.000 2.217 71 L HA 0.020 4.360 4.340 -0.000 0.000 0.211 71 L C 1.232 178.078 176.870 -0.040 0.000 1.107 71 L CA 0.793 55.518 54.840 -0.191 0.000 0.783 71 L CB -0.539 41.187 42.059 -0.555 0.000 0.919 71 L HN 0.524 nan 8.230 nan 0.000 0.442 72 G N 1.072 109.894 108.800 0.036 0.000 2.255 72 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.239 72 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.239 72 G C 0.056 175.031 174.900 0.124 0.000 1.083 72 G CA -0.051 45.087 45.100 0.063 0.000 0.826 72 G HN 0.382 nan 8.290 nan 0.000 0.493 73 N N 0.609 119.411 118.700 0.169 0.000 2.292 73 N HA 0.076 4.816 4.740 -0.000 0.000 0.258 73 N C -0.285 175.237 175.510 0.021 0.000 1.261 73 N CA -0.427 52.680 53.050 0.096 0.000 0.845 73 N CB 1.054 39.596 38.487 0.091 0.000 1.064 73 N HN 0.117 nan 8.380 nan 0.000 0.471 74 P HA -0.118 nan 4.420 nan 0.000 0.218 74 P C 0.539 177.890 177.300 0.086 0.000 1.146 74 P CA 1.139 64.226 63.100 -0.022 0.000 0.813 74 P CB 0.279 31.997 31.700 0.031 0.000 0.778 75 E N -1.483 118.772 120.200 0.092 0.000 2.516 75 E HA -0.036 4.314 4.350 -0.000 0.000 0.199 75 E C 0.557 177.201 176.600 0.072 0.000 1.069 75 E CA 0.440 56.900 56.400 0.101 0.000 0.876 75 E CB -0.650 29.089 29.700 0.065 0.000 0.843 75 E HN 0.289 nan 8.360 nan 0.000 0.530 76 c N 0.917 119.552 118.600 0.058 0.000 2.742 76 c HA 0.214 4.784 4.570 -0.000 0.000 0.283 76 c C 1.431 175.550 174.090 0.047 0.000 1.451 76 c CA -0.985 55.377 56.329 0.054 0.000 1.785 76 c CB -0.473 42.087 42.510 0.083 0.000 2.664 76 c HN 0.196 nan 8.230 nan 0.000 0.544 77 D N 1.862 122.281 120.400 0.033 0.000 2.123 77 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 77 D C 2.071 178.384 176.300 0.022 0.000 0.992 77 D CA 1.209 55.213 54.000 0.008 0.000 0.833 77 D CB -0.171 40.626 40.800 -0.005 0.000 0.954 77 D HN 0.463 nan 8.370 nan 0.000 0.455 78 L N 0.185 121.424 121.223 0.027 0.000 2.211 78 L HA -0.205 4.134 4.340 -0.000 0.000 0.216 78 L C 2.196 179.073 176.870 0.012 0.000 1.092 78 L CA 0.836 55.684 54.840 0.014 0.000 0.767 78 L CB -0.582 41.475 42.059 -0.003 0.000 0.894 78 L HN 0.118 nan 8.230 nan 0.000 0.437 79 L N -0.901 120.339 121.223 0.028 0.000 2.554 79 L HA -0.065 4.275 4.340 -0.000 0.000 0.226 79 L C 2.303 179.273 176.870 0.167 0.000 1.137 79 L CA 0.035 54.907 54.840 0.054 0.000 0.863 79 L CB -0.240 41.849 42.059 0.050 0.000 0.985 79 L HN 0.255 nan 8.230 nan 0.000 0.451 80 L N -0.369 120.921 121.223 0.113 0.000 2.127 80 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 80 L C 2.414 179.366 176.870 0.136 0.000 1.089 80 L CA 1.374 56.271 54.840 0.095 0.000 0.757 80 L CB -0.551 41.497 42.059 -0.018 0.000 0.899 80 L HN 0.204 nan 8.230 nan 0.000 0.434 81 T N -0.688 113.939 114.554 0.122 0.000 3.067 81 T HA 0.180 4.530 4.350 -0.000 0.000 0.261 81 T C 0.953 175.771 174.700 0.197 0.000 1.110 81 T CA 0.406 62.584 62.100 0.131 0.000 1.113 81 T CB -0.063 68.852 68.868 0.079 0.000 0.917 81 T HN 0.343 nan 8.240 nan 0.000 0.499 82 A N 2.049 125.004 122.820 0.225 0.000 2.492 82 A HA 0.446 4.766 4.320 -0.000 0.000 0.236 82 A C 0.956 178.822 177.584 0.469 0.000 1.078 82 A CA -0.259 51.934 52.037 0.259 0.000 0.773 82 A CB -0.062 19.021 19.000 0.138 0.000 1.023 82 A HN 0.521 nan 8.150 nan 0.000 0.504 83 S N 0.221 115.979 115.700 0.096 0.000 2.550 83 S HA 0.274 4.744 4.470 -0.000 0.000 0.285 83 S C -0.362 174.258 174.600 0.034 0.000 1.326 83 S CA 0.987 59.024 58.200 -0.273 0.000 1.037 83 S CB -0.327 62.737 63.200 -0.227 0.000 0.838 83 S HN 1.619 nan 8.310 nan 0.000 0.519 84 W N 0.062 121.277 121.300 -0.143 0.000 3.275 84 W HA 0.593 5.253 4.660 -0.000 0.000 0.306 84 W C 0.369 176.817 176.519 -0.119 0.000 1.259 84 W CA -0.299 56.945 57.345 -0.169 0.000 1.194 84 W CB 0.209 29.517 29.460 -0.252 0.000 1.375 84 W HN 0.553 nan 8.180 nan 0.000 0.564 85 S N 0.075 115.837 115.700 0.103 0.000 2.446 85 S HA 0.210 4.680 4.470 -0.000 0.000 0.225 85 S C -0.062 174.748 174.600 0.349 0.000 1.016 85 S CA 1.322 59.615 58.200 0.156 0.000 0.943 85 S CB -0.582 62.744 63.200 0.209 0.000 0.786 85 S HN 0.903 nan 8.310 nan 0.000 0.508 86 Y N -1.728 118.687 120.300 0.192 0.000 2.702 86 Y HA 0.686 5.235 4.550 -0.000 0.000 0.336 86 Y C -1.707 174.189 175.900 -0.008 0.000 1.203 86 Y CA -1.824 56.349 58.100 0.122 0.000 1.072 86 Y CB 0.483 38.948 38.460 0.008 0.000 1.327 86 Y HN -0.086 nan 8.280 nan 0.000 0.456 87 I N 2.507 123.042 120.570 -0.058 0.000 2.377 87 I HA 0.559 4.729 4.170 -0.000 0.000 0.293 87 I C -0.873 175.119 176.117 -0.209 0.000 0.987 87 I CA -1.240 59.849 61.300 -0.352 0.000 1.185 87 I CB 1.852 39.599 38.000 -0.423 0.000 1.341 87 I HN 0.459 nan 8.210 nan 0.000 0.455 88 V N 6.046 125.787 119.914 -0.289 0.000 2.398 88 V HA 0.351 4.470 4.120 -0.000 0.000 0.286 88 V C 0.034 176.016 176.094 -0.187 0.000 1.026 88 V CA -0.619 61.580 62.300 -0.168 0.000 0.868 88 V CB 1.420 33.152 31.823 -0.152 0.000 0.982 88 V HN 0.707 nan 8.190 nan 0.000 0.443 89 E N 1.957 122.077 120.200 -0.133 0.000 2.239 89 E HA 0.714 5.063 4.350 -0.000 0.000 0.261 89 E C -0.244 176.305 176.600 -0.085 0.000 1.016 89 E CA -0.523 55.808 56.400 -0.115 0.000 0.882 89 E CB 2.136 31.781 29.700 -0.092 0.000 1.190 89 E HN 0.855 nan 8.360 nan 0.000 0.415 90 T N -2.833 111.679 114.554 -0.070 0.000 2.864 90 T HA 0.231 4.581 4.350 -0.000 0.000 0.289 90 T C 0.627 175.306 174.700 -0.035 0.000 1.082 90 T CA -0.769 61.300 62.100 -0.051 0.000 1.009 90 T CB 1.393 70.230 68.868 -0.052 0.000 1.234 90 T HN 0.195 nan 8.240 nan 0.000 0.526 91 S N 0.249 115.935 115.700 -0.024 0.000 2.537 91 S HA -0.020 4.450 4.470 -0.000 0.000 0.240 91 S C 0.993 175.584 174.600 -0.015 0.000 0.981 91 S CA 0.841 59.032 58.200 -0.015 0.000 0.948 91 S CB -0.673 62.522 63.200 -0.007 0.000 0.759 91 S HN 0.762 nan 8.310 nan 0.000 0.531 92 N N 0.510 119.197 118.700 -0.021 0.000 2.275 92 N HA 0.159 4.899 4.740 -0.000 0.000 0.236 92 N C -0.757 174.739 175.510 -0.022 0.000 1.154 92 N CA -0.163 52.876 53.050 -0.019 0.000 0.866 92 N CB 0.714 39.190 38.487 -0.019 0.000 1.093 92 N HN -0.002 nan 8.380 nan 0.000 0.515 93 S N 2.050 117.735 115.700 -0.026 0.000 4.139 93 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 93 S C -0.085 174.506 174.600 -0.015 0.000 1.390 93 S CA -0.188 57.995 58.200 -0.028 0.000 0.885 93 S CB -0.501 62.675 63.200 -0.039 0.000 1.560 93 S HN 0.291 nan 8.310 nan 0.000 0.449 94 E N 1.291 121.484 120.200 -0.011 0.000 2.103 94 E HA 0.588 4.938 4.350 -0.000 0.000 0.254 94 E C 0.650 177.248 176.600 -0.004 0.000 0.940 94 E CA -0.740 55.656 56.400 -0.007 0.000 0.771 94 E CB 0.780 30.476 29.700 -0.005 0.000 1.153 94 E HN 0.473 nan 8.360 nan 0.000 0.428 95 G N 2.781 111.583 108.800 0.004 0.000 1.775 95 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.059 95 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.059 95 G C -0.330 174.568 174.900 -0.004 0.000 1.152 95 G CA -0.557 44.536 45.100 -0.011 0.000 1.107 95 G HN 0.322 nan 8.290 nan 0.000 0.323 96 T N 2.220 116.740 114.554 -0.057 0.000 2.775 96 T HA 0.375 4.725 4.350 -0.000 0.000 0.287 96 T C 1.655 176.409 174.700 0.089 0.000 0.909 96 T CA 0.481 62.550 62.100 -0.051 0.000 1.081 96 T CB -0.005 68.785 68.868 -0.130 0.000 0.891 96 T HN 0.915 nan 8.240 nan 0.000 0.544 97 c N 2.759 121.442 118.600 0.140 0.000 2.485 97 c HA 0.209 4.779 4.570 -0.000 0.000 0.278 97 c C 1.140 175.299 174.090 0.115 0.000 1.356 97 c CA -0.689 55.671 56.329 0.052 0.000 1.747 97 c CB -1.285 41.188 42.510 -0.061 0.000 2.001 97 c HN 0.724 nan 8.230 nan 0.000 0.501 98 Y N 4.499 124.886 120.300 0.146 0.000 2.365 98 Y HA 0.452 5.002 4.550 -0.000 0.000 0.340 98 Y C -2.198 173.853 175.900 0.251 0.000 1.016 98 Y CA -2.756 55.471 58.100 0.211 0.000 1.196 98 Y CB 0.523 39.153 38.460 0.282 0.000 1.167 98 Y HN 0.136 nan 8.280 nan 0.000 0.509 99 P HA 0.296 nan 4.420 nan 0.000 0.267 99 P C -0.261 177.118 177.300 0.131 0.000 1.200 99 P CA 0.423 63.528 63.100 0.008 0.000 0.772 99 P CB 0.906 32.545 31.700 -0.101 0.000 0.855 100 G N 0.985 109.872 108.800 0.145 0.000 2.328 100 G HA2 0.102 4.062 3.960 -0.000 0.000 0.299 100 G HA3 0.102 4.062 3.960 -0.000 0.000 0.299 100 G C -1.865 173.096 174.900 0.101 0.000 1.435 100 G CA -0.707 44.450 45.100 0.096 0.000 0.865 100 G HN 0.366 nan 8.290 nan 0.000 0.601 101 D N -0.219 120.192 120.400 0.018 0.000 2.345 101 D HA 0.311 4.951 4.640 -0.000 0.000 0.247 101 D C -0.690 175.650 176.300 0.066 0.000 1.108 101 D CA 0.457 54.478 54.000 0.035 0.000 0.894 101 D CB 1.497 42.286 40.800 -0.017 0.000 1.203 101 D HN 0.212 nan 8.370 nan 0.000 0.430 102 F N 3.463 123.388 119.950 -0.042 0.000 2.303 102 F HA 0.232 4.759 4.527 -0.000 0.000 0.368 102 F C -0.006 175.807 175.800 0.021 0.000 1.105 102 F CA -1.177 56.792 58.000 -0.051 0.000 1.153 102 F CB 0.300 39.160 39.000 -0.233 0.000 1.362 102 F HN 0.126 nan 8.300 nan 0.000 0.511 103 I N 5.472 126.174 120.570 0.219 0.000 2.752 103 I HA -0.054 4.116 4.170 -0.000 0.000 0.287 103 I C 0.396 176.841 176.117 0.547 0.000 1.188 103 I CA 0.224 61.688 61.300 0.274 0.000 1.427 103 I CB 0.048 38.153 38.000 0.176 0.000 1.365 103 I HN 0.556 nan 8.210 nan 0.000 0.585 104 D N 4.008 124.676 120.400 0.446 0.000 2.697 104 D HA -0.300 4.340 4.640 -0.000 0.000 0.238 104 D C 0.697 177.329 176.300 0.552 0.000 1.152 104 D CA 0.652 54.960 54.000 0.513 0.000 0.666 104 D CB -1.131 40.003 40.800 0.557 0.000 1.037 104 D HN 0.645 nan 8.370 nan 0.000 0.423 105 Y N 0.667 121.055 120.300 0.147 0.000 2.220 105 Y HA -0.102 4.448 4.550 -0.000 0.000 0.291 105 Y C 1.951 177.717 175.900 -0.222 0.000 1.129 105 Y CA 1.963 59.923 58.100 -0.234 0.000 1.161 105 Y CB 0.142 38.405 38.460 -0.329 0.000 0.997 105 Y HN -0.007 nan 8.280 nan 0.000 0.522 106 E N 0.302 120.381 120.200 -0.201 0.000 2.106 106 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 106 E C 2.080 178.581 176.600 -0.166 0.000 0.984 106 E CA 1.407 57.652 56.400 -0.258 0.000 0.806 106 E CB -0.200 29.441 29.700 -0.099 0.000 0.750 106 E HN 0.436 nan 8.360 nan 0.000 0.458 107 E N 0.333 120.541 120.200 0.014 0.000 2.058 107 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 107 E C 2.175 178.732 176.600 -0.072 0.000 0.997 107 E CA 0.702 57.170 56.400 0.113 0.000 0.801 107 E CB -0.402 29.523 29.700 0.374 0.000 0.746 107 E HN 0.201 nan 8.360 nan 0.000 0.450 108 L N 1.451 122.466 121.223 -0.347 0.000 2.042 108 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 108 L C 2.314 178.830 176.870 -0.591 0.000 1.076 108 L CA 1.774 56.027 54.840 -0.979 0.000 0.749 108 L CB -0.228 40.916 42.059 -1.525 0.000 0.893 108 L HN -0.055 nan 8.230 nan 0.000 0.432 109 R N -0.678 119.490 120.500 -0.553 0.000 2.096 109 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 109 R C 2.226 178.384 176.300 -0.237 0.000 1.127 109 R CA 1.442 57.288 56.100 -0.424 0.000 0.968 109 R CB -0.304 29.690 30.300 -0.511 0.000 0.861 109 R HN 0.469 nan 8.270 nan 0.000 0.440 110 E N 0.494 120.582 120.200 -0.186 0.000 2.072 110 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 110 E C 1.910 178.479 176.600 -0.052 0.000 0.985 110 E CA 1.121 57.468 56.400 -0.088 0.000 0.801 110 E CB 0.133 29.808 29.700 -0.043 0.000 0.750 110 E HN 0.151 nan 8.360 nan 0.000 0.452 111 Q N 0.087 119.847 119.800 -0.067 0.000 2.045 111 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 111 Q C 2.138 178.130 176.000 -0.014 0.000 0.991 111 Q CA 1.033 56.824 55.803 -0.019 0.000 0.851 111 Q CB -0.529 28.183 28.738 -0.042 0.000 0.911 111 Q HN 0.341 nan 8.270 nan 0.000 0.418 112 L N 0.883 122.065 121.223 -0.068 0.000 2.129 112 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 112 L C 2.287 179.210 176.870 0.088 0.000 1.087 112 L CA 1.377 56.231 54.840 0.024 0.000 0.757 112 L CB -1.295 40.760 42.059 -0.006 0.000 0.896 112 L HN 0.168 nan 8.230 nan 0.000 0.434 113 S N -0.012 115.707 115.700 0.031 0.000 2.419 113 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 113 S C 1.485 176.126 174.600 0.069 0.000 1.019 113 S CA 1.315 59.545 58.200 0.049 0.000 0.982 113 S CB -0.141 63.063 63.200 0.006 0.000 0.789 113 S HN 0.659 nan 8.310 nan 0.000 0.490 114 S N 0.521 116.257 115.700 0.061 0.000 2.506 114 S HA 0.442 4.912 4.470 -0.000 0.000 0.245 114 S C -0.284 174.350 174.600 0.056 0.000 1.088 114 S CA -0.648 57.583 58.200 0.052 0.000 1.099 114 S CB 0.222 63.447 63.200 0.040 0.000 0.805 114 S HN 0.022 nan 8.310 nan 0.000 0.461 115 V N 2.530 122.501 119.914 0.096 0.000 2.409 115 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 115 V C 0.810 176.853 176.094 -0.085 0.000 1.020 115 V CA -0.361 61.978 62.300 0.065 0.000 0.848 115 V CB 1.590 33.523 31.823 0.184 0.000 0.990 115 V HN 0.624 nan 8.190 nan 0.000 0.430 116 S N 1.755 117.253 115.700 -0.336 0.000 2.512 116 S HA 0.275 4.745 4.470 -0.000 0.000 0.216 116 S C 0.518 174.380 174.600 -1.230 0.000 1.006 116 S CA 0.244 58.017 58.200 -0.712 0.000 0.915 116 S CB 0.275 63.247 63.200 -0.380 0.000 0.824 116 S HN 1.009 nan 8.310 nan 0.000 0.497 117 S N 0.733 115.884 115.700 -0.916 0.000 2.578 117 S HA 0.764 5.234 4.470 -0.000 0.000 0.272 117 S C -1.305 173.102 174.600 -0.322 0.000 1.145 117 S CA -1.064 56.612 58.200 -0.874 0.000 0.835 117 S CB 1.139 64.074 63.200 -0.441 0.000 1.104 117 S HN 0.642 nan 8.310 nan 0.000 0.458 118 F N -0.979 118.980 119.950 0.016 0.000 2.685 118 F HA 0.919 5.446 4.527 -0.000 0.000 0.315 118 F C -1.194 174.743 175.800 0.227 0.000 1.126 118 F CA -1.716 56.390 58.000 0.177 0.000 0.950 118 F CB 0.409 39.581 39.000 0.288 0.000 1.360 118 F HN 0.611 nan 8.300 nan 0.000 0.469 119 E N 1.068 121.589 120.200 0.535 0.000 2.145 119 E HA 0.291 4.640 4.350 -0.000 0.000 0.262 119 E C -0.970 175.785 176.600 0.257 0.000 0.883 119 E CA -0.782 55.836 56.400 0.364 0.000 0.748 119 E CB 1.835 31.680 29.700 0.242 0.000 1.140 119 E HN 0.560 nan 8.360 nan 0.000 0.417 120 K N 4.044 124.520 120.400 0.127 0.000 2.350 120 K HA 0.298 4.618 4.320 -0.000 0.000 0.279 120 K C -0.938 175.674 176.600 0.020 0.000 1.027 120 K CA -0.170 56.003 56.287 -0.190 0.000 0.969 120 K CB 0.346 32.714 32.500 -0.220 0.000 0.954 120 K HN 0.470 nan 8.250 nan 0.000 0.474 121 F N 0.244 120.055 119.950 -0.231 0.000 2.601 121 F HA 0.332 4.859 4.527 -0.000 0.000 0.309 121 F C -0.840 174.771 175.800 -0.314 0.000 1.089 121 F CA -1.174 56.726 58.000 -0.166 0.000 0.940 121 F CB 1.211 40.127 39.000 -0.142 0.000 1.273 121 F HN 0.457 nan 8.300 nan 0.000 0.450 122 E N 3.677 123.678 120.200 -0.332 0.000 2.070 122 E HA 0.166 4.516 4.350 -0.000 0.000 0.282 122 E C 0.650 176.961 176.600 -0.481 0.000 1.104 122 E CA -0.173 55.743 56.400 -0.808 0.000 0.876 122 E CB 0.846 30.203 29.700 -0.571 0.000 1.055 122 E HN 0.882 nan 8.360 nan 0.000 0.401 123 I N 4.837 124.961 120.570 -0.744 0.000 2.500 123 I HA 0.030 4.200 4.170 -0.000 0.000 0.252 123 I C -0.337 175.399 176.117 -0.634 0.000 1.142 123 I CA 0.797 61.638 61.300 -0.765 0.000 1.451 123 I CB 0.367 37.618 38.000 -1.250 0.000 1.093 123 I HN 0.348 nan 8.210 nan 0.000 0.430 124 F N -0.564 119.320 119.950 -0.111 0.000 2.620 124 F HA 0.225 4.751 4.527 -0.000 0.000 0.320 124 F C 1.461 177.221 175.800 -0.067 0.000 1.069 124 F CA -0.290 57.637 58.000 -0.122 0.000 0.953 124 F CB 1.541 40.481 39.000 -0.101 0.000 1.322 124 F HN 0.043 nan 8.300 nan 0.000 0.479 125 S N -1.162 114.517 115.700 -0.035 0.000 2.916 125 S HA -0.323 4.146 4.470 -0.000 0.000 0.306 125 S C 0.874 175.367 174.600 -0.178 0.000 1.312 125 S CA 1.664 59.822 58.200 -0.070 0.000 1.131 125 S CB -1.921 61.253 63.200 -0.044 0.000 1.312 125 S HN 0.610 nan 8.310 nan 0.000 0.734 126 S N -0.673 114.820 115.700 -0.346 0.000 2.517 126 S HA 0.320 4.790 4.470 -0.000 0.000 0.214 126 S C 0.057 174.188 174.600 -0.782 0.000 0.991 126 S CA 0.212 57.959 58.200 -0.755 0.000 0.906 126 S CB -0.179 62.200 63.200 -1.367 0.000 0.789 126 S HN 0.809 nan 8.310 nan 0.000 0.513 127 W N 1.929 123.168 121.300 -0.102 0.000 1.380 127 W HA 0.331 4.990 4.660 -0.000 0.000 0.298 127 W C -2.047 174.439 176.519 -0.056 0.000 0.837 127 W CA -1.534 55.757 57.345 -0.090 0.000 2.343 127 W CB 0.383 29.758 29.460 -0.142 0.000 2.070 127 W HN 0.052 nan 8.180 nan 0.000 0.500 128 P HA -0.209 nan 4.420 nan 0.000 0.217 128 P C 0.781 178.086 177.300 0.008 0.000 1.148 128 P CA 1.695 64.816 63.100 0.035 0.000 0.828 128 P CB 0.375 32.073 31.700 -0.004 0.000 0.783 129 N N -1.159 117.543 118.700 0.004 0.000 2.268 129 N HA 0.027 4.767 4.740 -0.000 0.000 0.204 129 N C 0.283 175.527 175.510 -0.442 0.000 1.124 129 N CA 0.316 53.252 53.050 -0.190 0.000 0.838 129 N CB 0.072 38.411 38.487 -0.245 0.000 0.994 129 N HN 0.409 nan 8.380 nan 0.000 0.489 130 H N -0.193 118.804 119.070 -0.122 0.000 2.895 130 H HA 0.205 4.761 4.556 -0.000 0.000 0.373 130 H C -0.674 174.533 175.328 -0.202 0.000 1.174 130 H CA -0.642 55.256 56.048 -0.250 0.000 1.144 130 H CB 2.271 31.797 29.762 -0.393 0.000 1.793 130 H HN -0.025 nan 8.280 nan 0.000 0.551 131 E N 1.203 121.344 120.200 -0.098 0.000 2.259 131 E HA 0.108 4.458 4.350 -0.000 0.000 0.281 131 E C -0.198 176.290 176.600 -0.186 0.000 1.037 131 E CA -0.322 55.999 56.400 -0.133 0.000 0.854 131 E CB 0.595 30.205 29.700 -0.151 0.000 1.051 131 E HN 0.675 nan 8.360 nan 0.000 0.409 132 T N 1.826 116.277 114.554 -0.172 0.000 3.327 132 T HA 0.239 4.589 4.350 -0.000 0.000 0.244 132 T C 0.294 174.871 174.700 -0.204 0.000 1.074 132 T CA -0.692 61.277 62.100 -0.219 0.000 1.156 132 T CB -0.245 68.518 68.868 -0.175 0.000 1.087 132 T HN 0.648 nan 8.240 nan 0.000 0.575 133 K N 0.430 120.666 120.400 -0.274 0.000 2.660 133 K HA -0.209 4.111 4.320 -0.000 0.000 0.234 133 K C 1.056 177.347 176.600 -0.515 0.000 0.896 133 K CA 1.213 57.301 56.287 -0.333 0.000 0.702 133 K CB -1.000 31.305 32.500 -0.324 0.000 1.284 133 K HN 0.712 nan 8.250 nan 0.000 0.453 134 G N 1.592 110.046 108.800 -0.576 0.000 3.064 134 G HA2 0.396 4.356 3.960 -0.000 0.000 0.286 134 G HA3 0.396 4.356 3.960 -0.000 0.000 0.286 134 G C -0.101 174.449 174.900 -0.582 0.000 0.834 134 G CA -0.114 44.451 45.100 -0.891 0.000 1.856 134 G HN 0.145 nan 8.290 nan 0.000 0.559 135 V N -1.087 118.572 119.914 -0.424 0.000 3.130 135 V HA 0.985 5.104 4.120 -0.000 0.000 0.310 135 V C -0.580 175.508 176.094 -0.010 0.000 1.158 135 V CA -0.849 61.394 62.300 -0.097 0.000 1.029 135 V CB 1.985 33.792 31.823 -0.027 0.000 1.057 135 V HN 0.404 nan 8.190 nan 0.000 0.436 136 T N 0.666 115.321 114.554 0.169 0.000 3.012 136 T HA 0.659 5.009 4.350 -0.000 0.000 0.330 136 T C 0.783 175.596 174.700 0.187 0.000 1.321 136 T CA 0.385 62.617 62.100 0.221 0.000 1.067 136 T CB 1.708 70.851 68.868 0.458 0.000 1.235 136 T HN 1.821 nan 8.240 nan 0.000 0.479 137 A N 2.960 125.864 122.820 0.139 0.000 2.024 137 A HA 0.234 4.554 4.320 -0.000 0.000 0.220 137 A C 2.498 180.145 177.584 0.106 0.000 1.164 137 A CA 2.231 54.329 52.037 0.101 0.000 0.643 137 A CB -1.080 17.964 19.000 0.074 0.000 0.806 137 A HN 1.313 nan 8.150 nan 0.000 0.451 138 A N -1.486 121.419 122.820 0.142 0.000 1.972 138 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 138 A C 1.433 179.069 177.584 0.088 0.000 1.169 138 A CA 1.431 53.531 52.037 0.105 0.000 0.635 138 A CB -0.807 18.256 19.000 0.105 0.000 0.810 138 A HN 0.570 nan 8.150 nan 0.000 0.446 139 c N 1.290 119.960 118.600 0.116 0.000 2.572 139 c HA 0.530 5.099 4.570 -0.000 0.000 0.428 139 c C 1.168 175.302 174.090 0.074 0.000 1.269 139 c CA -0.535 55.808 56.329 0.024 0.000 1.640 139 c CB -1.953 40.504 42.510 -0.089 0.000 1.977 139 c HN 0.583 nan 8.230 nan 0.000 0.571 140 S N 0.609 116.360 115.700 0.084 0.000 2.693 140 S HA 0.712 5.182 4.470 -0.000 0.000 0.276 140 S C -1.061 173.643 174.600 0.173 0.000 1.192 140 S CA -0.222 58.047 58.200 0.115 0.000 0.994 140 S CB 1.365 64.612 63.200 0.078 0.000 1.012 140 S HN 0.591 nan 8.310 nan 0.000 0.550 141 Y N 0.881 121.194 120.300 0.022 0.000 2.362 141 Y HA 0.506 5.056 4.550 -0.000 0.000 0.326 141 Y C 0.024 175.936 175.900 0.019 0.000 1.083 141 Y CA -0.016 58.095 58.100 0.019 0.000 1.073 141 Y CB 1.111 39.587 38.460 0.026 0.000 1.211 141 Y HN 1.554 nan 8.280 nan 0.000 0.433 142 A N 3.839 126.326 122.820 -0.556 0.000 2.791 142 A HA 0.053 4.372 4.320 -0.000 0.000 0.292 142 A C 1.791 179.279 177.584 -0.161 0.000 1.487 142 A CA 1.789 53.573 52.037 -0.420 0.000 0.760 142 A CB -2.118 16.572 19.000 -0.517 0.000 1.031 142 A HN 2.634 nan 8.150 nan 0.000 0.503 143 G N -2.777 105.964 108.800 -0.098 0.000 2.328 143 G HA2 0.138 4.098 3.960 -0.000 0.000 0.256 143 G HA3 0.138 4.098 3.960 -0.000 0.000 0.256 143 G C 0.934 175.834 174.900 0.000 0.000 1.014 143 G CA 1.467 46.544 45.100 -0.038 0.000 0.620 143 G HN 2.608 nan 8.290 nan 0.000 0.530 144 A N -0.105 122.728 122.820 0.022 0.000 2.322 144 A HA 0.855 5.175 4.320 -0.000 0.000 0.327 144 A C 0.583 178.215 177.584 0.081 0.000 1.134 144 A CA 0.697 52.762 52.037 0.047 0.000 0.831 144 A CB 1.063 20.091 19.000 0.047 0.000 1.288 144 A HN 1.015 nan 8.150 nan 0.000 0.472 145 S N 0.301 116.044 115.700 0.072 0.000 2.549 145 S HA 0.448 4.918 4.470 -0.000 0.000 0.286 145 S C 0.460 175.130 174.600 0.116 0.000 1.314 145 S CA 0.467 58.721 58.200 0.090 0.000 1.062 145 S CB 0.532 63.768 63.200 0.060 0.000 0.865 145 S HN 1.045 nan 8.310 nan 0.000 0.498 146 S N 1.370 117.163 115.700 0.155 0.000 3.070 146 S HA 0.862 5.332 4.470 -0.000 0.000 0.320 146 S C -1.941 172.827 174.600 0.280 0.000 1.215 146 S CA -0.571 57.739 58.200 0.183 0.000 0.956 146 S CB 0.653 63.961 63.200 0.180 0.000 1.337 146 S HN 0.534 nan 8.310 nan 0.000 0.639 147 F N -0.274 119.684 119.950 0.014 0.000 2.817 147 F HA 0.578 5.105 4.527 -0.000 0.000 0.317 147 F C -1.706 174.069 175.800 -0.041 0.000 1.168 147 F CA -1.078 56.904 58.000 -0.031 0.000 0.911 147 F CB 0.371 39.450 39.000 0.131 0.000 1.337 147 F HN 0.701 nan 8.300 nan 0.000 0.464 148 Y N 2.969 123.015 120.300 -0.423 0.000 2.652 148 Y HA 0.180 4.730 4.550 -0.000 0.000 0.344 148 Y C 1.628 177.544 175.900 0.026 0.000 1.254 148 Y CA 0.056 58.006 58.100 -0.250 0.000 1.480 148 Y CB 0.349 38.557 38.460 -0.420 0.000 1.345 148 Y HN 0.285 nan 8.280 nan 0.000 0.617 149 R N 0.879 121.444 120.500 0.110 0.000 2.240 149 R HA -0.000 4.340 4.340 -0.000 0.000 0.203 149 R C 0.130 176.406 176.300 -0.039 0.000 1.011 149 R CA 0.532 56.629 56.100 -0.005 0.000 1.007 149 R CB -0.109 30.069 30.300 -0.204 0.000 0.911 149 R HN 0.648 nan 8.270 nan 0.000 0.468 150 N N 0.289 119.031 118.700 0.071 0.000 2.205 150 N HA 0.171 4.911 4.740 -0.000 0.000 0.201 150 N C 0.113 175.803 175.510 0.300 0.000 1.128 150 N CA 0.206 53.310 53.050 0.090 0.000 0.867 150 N CB 0.998 39.465 38.487 -0.034 0.000 0.996 150 N HN 0.094 nan 8.380 nan 0.000 0.503 151 L N 0.777 122.240 121.223 0.399 0.000 2.354 151 L HA 0.491 4.831 4.340 -0.000 0.000 0.269 151 L C -0.984 176.258 176.870 0.621 0.000 1.005 151 L CA -1.021 54.080 54.840 0.436 0.000 0.819 151 L CB 2.335 44.566 42.059 0.288 0.000 1.311 151 L HN -0.176 nan 8.230 nan 0.000 0.423 152 L N 1.882 123.342 121.223 0.395 0.000 2.322 152 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 152 L C -1.077 175.860 176.870 0.113 0.000 1.014 152 L CA -0.127 54.814 54.840 0.169 0.000 0.815 152 L CB 1.573 43.525 42.059 -0.180 0.000 1.247 152 L HN 0.536 nan 8.230 nan 0.000 0.421 153 W N 7.860 129.021 121.300 -0.231 0.000 2.318 153 W HA 0.356 5.016 4.660 -0.000 0.000 0.362 153 W C -1.009 175.294 176.519 -0.359 0.000 0.978 153 W CA -1.496 55.630 57.345 -0.366 0.000 1.509 153 W CB -0.166 28.821 29.460 -0.788 0.000 1.437 153 W HN 0.372 nan 8.180 nan 0.000 0.361 154 L N 6.448 127.664 121.223 -0.013 0.000 2.453 154 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 154 L C 1.246 178.161 176.870 0.076 0.000 1.182 154 L CA 0.361 55.101 54.840 -0.166 0.000 0.858 154 L CB 0.255 42.042 42.059 -0.453 0.000 1.120 154 L HN 0.354 nan 8.230 nan 0.000 0.474 155 T N -0.684 113.808 114.554 -0.103 0.000 2.742 155 T HA 0.446 4.796 4.350 -0.000 0.000 0.282 155 T C -0.551 174.174 174.700 0.042 0.000 1.025 155 T CA -1.239 60.800 62.100 -0.101 0.000 1.020 155 T CB 1.470 70.089 68.868 -0.415 0.000 1.317 155 T HN 0.578 nan 8.240 nan 0.000 0.538 156 K N 0.620 121.066 120.400 0.077 0.000 2.350 156 K HA 0.379 4.699 4.320 -0.000 0.000 0.279 156 K C -0.363 176.208 176.600 -0.047 0.000 1.027 156 K CA -0.678 55.670 56.287 0.101 0.000 0.969 156 K CB 0.688 33.254 32.500 0.110 0.000 0.954 156 K HN 0.559 nan 8.250 nan 0.000 0.474 157 K N 2.237 122.587 120.400 -0.084 0.000 2.205 157 K HA 0.200 4.520 4.320 -0.000 0.000 0.279 157 K C 0.720 177.275 176.600 -0.075 0.000 1.027 157 K CA 0.658 56.884 56.287 -0.101 0.000 0.932 157 K CB 1.003 33.419 32.500 -0.139 0.000 1.032 157 K HN 0.879 nan 8.250 nan 0.000 0.466 158 G N 1.847 110.607 108.800 -0.066 0.000 2.702 158 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.342 158 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.342 158 G C 0.512 175.390 174.900 -0.036 0.000 1.258 158 G CA 0.892 45.962 45.100 -0.050 0.000 0.990 158 G HN 0.651 nan 8.290 nan 0.000 0.548 159 S N -0.305 115.380 115.700 -0.025 0.000 2.651 159 S HA 0.575 5.045 4.470 -0.000 0.000 0.246 159 S C -0.006 174.600 174.600 0.010 0.000 1.039 159 S CA 1.103 59.297 58.200 -0.009 0.000 1.013 159 S CB -0.292 62.903 63.200 -0.009 0.000 0.861 159 S HN 1.699 nan 8.310 nan 0.000 0.485 160 S N 0.592 116.301 115.700 0.014 0.000 2.543 160 S HA 0.482 4.951 4.470 -0.000 0.000 0.273 160 S C -1.891 172.750 174.600 0.069 0.000 1.152 160 S CA -0.557 57.667 58.200 0.040 0.000 0.910 160 S CB 1.393 64.595 63.200 0.004 0.000 1.105 160 S HN 0.484 nan 8.310 nan 0.000 0.465 161 Y N 6.005 126.296 120.300 -0.016 0.000 2.749 161 Y HA 0.480 5.030 4.550 -0.000 0.000 0.343 161 Y C -2.496 173.427 175.900 0.039 0.000 1.015 161 Y CA -2.130 55.978 58.100 0.014 0.000 1.270 161 Y CB 1.162 39.691 38.460 0.115 0.000 1.097 161 Y HN 0.483 nan 8.280 nan 0.000 0.571 162 P HA 0.013 nan 4.420 nan 0.000 0.272 162 P C -0.993 176.452 177.300 0.241 0.000 1.230 162 P CA -0.325 62.822 63.100 0.079 0.000 0.788 162 P CB 1.083 32.734 31.700 -0.082 0.000 0.949 163 K N 2.373 122.898 120.400 0.210 0.000 2.436 163 K HA 0.098 4.418 4.320 -0.000 0.000 0.282 163 K C -0.088 176.630 176.600 0.196 0.000 1.044 163 K CA -0.354 56.056 56.287 0.207 0.000 1.028 163 K CB -0.401 32.187 32.500 0.146 0.000 0.919 163 K HN 0.352 nan 8.250 nan 0.000 0.474 164 L N 1.944 123.280 121.223 0.189 0.000 2.343 164 L HA 0.577 4.917 4.340 -0.000 0.000 0.275 164 L C -0.431 176.498 176.870 0.099 0.000 1.056 164 L CA -0.182 54.750 54.840 0.153 0.000 0.804 164 L CB 1.832 43.874 42.059 -0.029 0.000 1.203 164 L HN 0.582 nan 8.230 nan 0.000 0.440 165 S N 1.630 117.389 115.700 0.098 0.000 2.548 165 S HA 0.850 5.320 4.470 -0.000 0.000 0.276 165 S C -0.913 173.711 174.600 0.040 0.000 1.129 165 S CA -0.702 57.545 58.200 0.078 0.000 0.931 165 S CB 1.515 64.753 63.200 0.064 0.000 1.068 165 S HN 0.893 nan 8.310 nan 0.000 0.480 166 K N 1.835 122.259 120.400 0.041 0.000 2.565 166 K HA 0.615 4.935 4.320 -0.000 0.000 0.251 166 K C -1.392 175.260 176.600 0.086 0.000 0.956 166 K CA -0.137 56.103 56.287 -0.079 0.000 0.809 166 K CB 2.105 34.373 32.500 -0.388 0.000 1.267 166 K HN 0.700 nan 8.250 nan 0.000 0.438 167 S N 2.264 118.036 115.700 0.119 0.000 2.621 167 S HA 0.536 5.006 4.470 -0.000 0.000 0.302 167 S C -1.562 173.294 174.600 0.427 0.000 1.093 167 S CA -0.668 57.677 58.200 0.241 0.000 1.017 167 S CB 0.958 64.228 63.200 0.116 0.000 1.077 167 S HN 0.500 nan 8.310 nan 0.000 0.517 168 Y N 1.290 121.794 120.300 0.339 0.000 2.391 168 Y HA 0.609 5.159 4.550 -0.000 0.000 0.341 168 Y C -1.181 174.803 175.900 0.140 0.000 0.965 168 Y CA -0.868 57.387 58.100 0.259 0.000 1.067 168 Y CB 0.800 39.382 38.460 0.205 0.000 1.199 168 Y HN 0.441 nan 8.280 nan 0.000 0.450 169 V N 5.231 124.752 119.914 -0.655 0.000 2.539 169 V HA 0.250 4.370 4.120 -0.000 0.000 0.292 169 V C -0.211 175.301 176.094 -0.970 0.000 1.045 169 V CA -0.996 60.963 62.300 -0.568 0.000 0.945 169 V CB 1.428 33.068 31.823 -0.306 0.000 0.993 169 V HN 0.794 nan 8.190 nan 0.000 0.464 170 N N 3.737 122.167 118.700 -0.451 0.000 2.602 170 N HA 0.132 4.872 4.740 -0.000 0.000 0.238 170 N C 0.166 175.588 175.510 -0.148 0.000 1.084 170 N CA -0.179 52.741 53.050 -0.217 0.000 0.952 170 N CB -0.013 38.514 38.487 0.066 0.000 1.244 170 N HN 0.555 nan 8.380 nan 0.000 0.512 171 N N 2.486 121.075 118.700 -0.185 0.000 2.389 171 N HA 0.071 4.811 4.740 -0.000 0.000 0.237 171 N C 0.334 175.796 175.510 -0.080 0.000 1.148 171 N CA 0.059 53.042 53.050 -0.112 0.000 0.854 171 N CB 0.474 38.891 38.487 -0.117 0.000 1.115 171 N HN 0.504 nan 8.380 nan 0.000 0.492 172 K N -0.532 119.833 120.400 -0.059 0.000 2.361 172 K HA 0.125 4.445 4.320 -0.000 0.000 0.194 172 K C 0.800 177.389 176.600 -0.018 0.000 1.032 172 K CA 0.069 56.319 56.287 -0.062 0.000 1.048 172 K CB 0.512 32.967 32.500 -0.074 0.000 0.842 172 K HN 0.183 nan 8.250 nan 0.000 0.526 173 G N 2.760 111.558 108.800 -0.002 0.000 2.305 173 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.287 173 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.287 173 G C -0.272 174.649 174.900 0.034 0.000 1.036 173 G CA 0.973 46.081 45.100 0.013 0.000 0.887 173 G HN 0.323 nan 8.290 nan 0.000 0.505 174 K N -1.105 119.329 120.400 0.056 0.000 2.578 174 K HA 0.351 4.670 4.320 -0.000 0.000 0.287 174 K C -0.345 176.325 176.600 0.117 0.000 1.010 174 K CA -1.047 55.290 56.287 0.084 0.000 0.889 174 K CB 1.573 34.132 32.500 0.099 0.000 1.514 174 K HN 0.201 nan 8.250 nan 0.000 0.424 175 E N 0.968 121.252 120.200 0.139 0.000 2.392 175 E HA 0.169 4.519 4.350 -0.000 0.000 0.264 175 E C -0.872 175.863 176.600 0.224 0.000 1.024 175 E CA -0.223 56.283 56.400 0.176 0.000 0.903 175 E CB 1.005 30.813 29.700 0.181 0.000 0.963 175 E HN 0.067 nan 8.360 nan 0.000 0.432 176 V N 4.202 124.273 119.914 0.261 0.000 2.409 176 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 176 V C -0.514 175.771 176.094 0.318 0.000 1.020 176 V CA -0.820 61.673 62.300 0.322 0.000 0.848 176 V CB 1.379 33.438 31.823 0.393 0.000 0.990 176 V HN 0.471 nan 8.190 nan 0.000 0.430 177 L N 7.445 128.866 121.223 0.330 0.000 2.319 177 L HA 0.576 4.915 4.340 -0.000 0.000 0.280 177 L C -0.407 176.661 176.870 0.331 0.000 1.099 177 L CA 0.567 55.618 54.840 0.352 0.000 0.828 177 L CB 1.198 43.442 42.059 0.309 0.000 1.150 177 L HN 0.430 nan 8.230 nan 0.000 0.442 178 V N 6.667 126.808 119.914 0.379 0.000 2.448 178 V HA 0.455 4.575 4.120 -0.000 0.000 0.295 178 V C -0.099 176.305 176.094 0.517 0.000 1.025 178 V CA -0.522 61.995 62.300 0.363 0.000 0.859 178 V CB 1.448 33.496 31.823 0.376 0.000 0.988 178 V HN 0.625 nan 8.190 nan 0.000 0.431 179 L N 5.150 126.614 121.223 0.402 0.000 2.331 179 L HA 0.831 5.171 4.340 -0.000 0.000 0.275 179 L C -0.333 176.813 176.870 0.461 0.000 1.022 179 L CA 0.127 55.171 54.840 0.340 0.000 0.812 179 L CB 1.568 43.726 42.059 0.165 0.000 1.257 179 L HN 0.893 nan 8.230 nan 0.000 0.435 180 W N 0.888 122.261 121.300 0.121 0.000 2.826 180 W HA 0.842 5.502 4.660 -0.000 0.000 0.410 180 W C -0.993 175.556 176.519 0.050 0.000 1.128 180 W CA -1.000 56.392 57.345 0.078 0.000 1.176 180 W CB 0.956 30.502 29.460 0.143 0.000 1.475 180 W HN 0.671 nan 8.180 nan 0.000 0.588 181 G N 0.260 109.180 108.800 0.200 0.000 2.690 181 G HA2 0.625 4.585 3.960 -0.000 0.000 0.293 181 G HA3 0.625 4.585 3.960 -0.000 0.000 0.293 181 G C -2.485 172.409 174.900 -0.010 0.000 1.399 181 G CA -0.939 44.098 45.100 -0.105 0.000 0.890 181 G HN 0.776 nan 8.290 nan 0.000 0.485 182 V N 1.308 121.142 119.914 -0.133 0.000 2.604 182 V HA 0.500 4.620 4.120 -0.000 0.000 0.305 182 V C -0.461 175.463 176.094 -0.283 0.000 1.043 182 V CA -0.836 61.338 62.300 -0.210 0.000 0.888 182 V CB 1.725 33.363 31.823 -0.308 0.000 0.995 182 V HN 0.883 nan 8.190 nan 0.000 0.429 183 H N 4.314 123.098 119.070 -0.477 0.000 2.492 183 H HA 0.514 5.070 4.556 -0.000 0.000 0.345 183 H C -1.255 173.819 175.328 -0.424 0.000 1.136 183 H CA -0.758 55.051 56.048 -0.398 0.000 1.202 183 H CB 1.397 30.933 29.762 -0.377 0.000 1.524 183 H HN 0.732 nan 8.280 nan 0.000 0.506 184 H N 5.622 124.413 119.070 -0.465 0.000 2.791 184 H HA 0.204 4.760 4.556 -0.000 0.000 0.272 184 H C -2.555 172.565 175.328 -0.346 0.000 1.188 184 H CA -1.721 54.122 56.048 -0.341 0.000 1.436 184 H CB 1.476 31.174 29.762 -0.108 0.000 1.467 184 H HN 0.520 nan 8.280 nan 0.000 0.500 185 P HA 0.077 nan 4.420 nan 0.000 0.274 185 P C -1.918 175.420 177.300 0.063 0.000 1.246 185 P CA -1.492 61.582 63.100 -0.043 0.000 0.795 185 P CB 1.361 33.097 31.700 0.059 0.000 1.006 186 P HA -0.037 nan 4.420 nan 0.000 0.216 186 P C 0.404 177.743 177.300 0.064 0.000 1.156 186 P CA 1.587 64.737 63.100 0.084 0.000 0.855 186 P CB -0.145 31.610 31.700 0.093 0.000 0.786 187 T N -4.588 110.007 114.554 0.068 0.000 2.885 187 T HA 0.580 4.930 4.350 -0.000 0.000 0.285 187 T C 1.432 176.164 174.700 0.054 0.000 1.019 187 T CA -0.266 61.866 62.100 0.054 0.000 1.010 187 T CB 1.403 70.300 68.868 0.049 0.000 1.022 187 T HN 0.012 nan 8.240 nan 0.000 0.466 188 G N 1.074 109.900 108.800 0.043 0.000 2.501 188 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.220 188 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.220 188 G C 1.203 176.129 174.900 0.044 0.000 1.114 188 G CA 1.192 46.317 45.100 0.042 0.000 0.757 188 G HN 0.793 nan 8.290 nan 0.000 0.559 189 T N 0.950 115.530 114.554 0.042 0.000 2.737 189 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 189 T C 2.014 176.740 174.700 0.043 0.000 1.038 189 T CA 1.305 63.427 62.100 0.036 0.000 1.144 189 T CB -0.219 68.667 68.868 0.030 0.000 0.866 189 T HN 0.287 nan 8.240 nan 0.000 0.434 190 D N 0.972 121.409 120.400 0.061 0.000 2.104 190 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 190 D C 2.250 178.615 176.300 0.109 0.000 0.994 190 D CA 1.140 55.190 54.000 0.083 0.000 0.830 190 D CB -0.352 40.522 40.800 0.123 0.000 0.959 190 D HN 0.264 nan 8.370 nan 0.000 0.452 191 Q N 0.888 120.763 119.800 0.125 0.000 2.029 191 Q HA -0.222 4.118 4.340 -0.000 0.000 0.209 191 Q C 2.166 178.246 176.000 0.133 0.000 0.999 191 Q CA 1.771 57.678 55.803 0.173 0.000 0.857 191 Q CB -0.203 28.593 28.738 0.096 0.000 0.926 191 Q HN 0.247 nan 8.270 nan 0.000 0.415 192 Q N -0.512 119.330 119.800 0.070 0.000 2.061 192 Q HA -0.147 4.192 4.340 -0.000 0.000 0.204 192 Q C 2.237 178.246 176.000 0.016 0.000 0.984 192 Q CA 1.954 57.782 55.803 0.042 0.000 0.846 192 Q CB -0.468 28.287 28.738 0.029 0.000 0.902 192 Q HN 0.620 nan 8.270 nan 0.000 0.421 193 S N 0.313 116.013 115.700 -0.000 0.000 2.383 193 S HA -0.041 4.429 4.470 -0.000 0.000 0.227 193 S C 2.112 176.651 174.600 -0.102 0.000 1.026 193 S CA 0.577 58.753 58.200 -0.040 0.000 0.981 193 S CB -0.393 62.783 63.200 -0.039 0.000 0.818 193 S HN 0.199 nan 8.310 nan 0.000 0.472 194 L N -0.841 120.296 121.223 -0.143 0.000 2.022 194 L HA 0.074 4.414 4.340 -0.000 0.000 0.204 194 L C 1.891 178.470 176.870 -0.484 0.000 1.076 194 L CA 1.389 55.970 54.840 -0.431 0.000 0.749 194 L CB -0.440 41.220 42.059 -0.665 0.000 0.903 194 L HN 0.364 nan 8.230 nan 0.000 0.439 195 Y N -1.813 118.462 120.300 -0.042 0.000 2.481 195 Y HA 0.201 4.750 4.550 -0.000 0.000 0.247 195 Y C 0.877 176.703 175.900 -0.124 0.000 1.151 195 Y CA -0.701 57.288 58.100 -0.185 0.000 1.238 195 Y CB 0.090 38.262 38.460 -0.480 0.000 1.179 195 Y HN 0.109 nan 8.280 nan 0.000 0.524 196 Q N 0.156 120.001 119.800 0.075 0.000 2.377 196 Q HA -0.278 4.062 4.340 -0.000 0.000 0.234 196 Q C -1.147 174.883 176.000 0.051 0.000 0.847 196 Q CA 1.191 57.030 55.803 0.061 0.000 1.280 196 Q CB -1.884 26.901 28.738 0.079 0.000 1.717 196 Q HN 0.614 nan 8.270 nan 0.000 0.579 197 N N -1.441 117.279 118.700 0.034 0.000 2.558 197 N HA 0.444 5.184 4.740 -0.000 0.000 0.285 197 N C 0.263 175.779 175.510 0.010 0.000 1.112 197 N CA 0.518 53.579 53.050 0.019 0.000 0.857 197 N CB 1.488 39.974 38.487 -0.002 0.000 1.376 197 N HN 0.124 nan 8.380 nan 0.000 0.526 198 A N 1.149 123.983 122.820 0.023 0.000 1.969 198 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 198 A C 0.409 178.001 177.584 0.014 0.000 1.169 198 A CA 1.166 53.216 52.037 0.021 0.000 0.635 198 A CB 0.105 19.120 19.000 0.025 0.000 0.810 198 A HN 0.522 nan 8.150 nan 0.000 0.445 199 D N 0.200 120.614 120.400 0.023 0.000 2.540 199 D HA 0.567 5.207 4.640 -0.000 0.000 0.251 199 D C 0.091 176.428 176.300 0.063 0.000 1.159 199 D CA 0.290 54.311 54.000 0.035 0.000 0.974 199 D CB 0.760 41.581 40.800 0.035 0.000 0.996 199 D HN 0.377 nan 8.370 nan 0.000 0.512 200 A N 1.636 124.476 122.820 0.033 0.000 2.378 200 A HA 0.857 5.177 4.320 -0.000 0.000 0.293 200 A C -0.639 177.048 177.584 0.171 0.000 1.250 200 A CA -0.409 51.647 52.037 0.031 0.000 0.915 200 A CB 0.832 19.719 19.000 -0.190 0.000 1.402 200 A HN 0.471 nan 8.150 nan 0.000 0.502 201 Y N -5.002 115.243 120.300 -0.091 0.000 2.765 201 Y HA 0.572 5.122 4.550 -0.000 0.000 0.350 201 Y C -1.659 174.229 175.900 -0.020 0.000 1.196 201 Y CA -1.295 56.779 58.100 -0.044 0.000 1.119 201 Y CB 0.440 38.897 38.460 -0.005 0.000 1.368 201 Y HN 0.549 nan 8.280 nan 0.000 0.463 202 V N 2.388 122.300 119.914 -0.004 0.000 2.789 202 V HA 0.831 4.951 4.120 -0.000 0.000 0.311 202 V C -0.882 175.355 176.094 0.238 0.000 1.073 202 V CA -0.064 62.232 62.300 -0.007 0.000 0.921 202 V CB 1.990 33.867 31.823 0.091 0.000 1.009 202 V HN 1.107 nan 8.190 nan 0.000 0.426 203 S N 3.220 119.025 115.700 0.174 0.000 2.548 203 S HA 0.871 5.341 4.470 -0.000 0.000 0.276 203 S C -1.515 173.102 174.600 0.028 0.000 1.129 203 S CA -0.620 57.679 58.200 0.164 0.000 0.931 203 S CB 2.022 65.347 63.200 0.208 0.000 1.068 203 S HN 0.543 nan 8.310 nan 0.000 0.480 204 V N 1.910 121.796 119.914 -0.047 0.000 2.569 204 V HA 0.850 4.970 4.120 -0.000 0.000 0.301 204 V C 0.344 176.334 176.094 -0.174 0.000 1.044 204 V CA -0.097 62.007 62.300 -0.327 0.000 0.874 204 V CB 1.703 33.231 31.823 -0.491 0.000 1.002 204 V HN 1.281 nan 8.190 nan 0.000 0.424 205 G N 1.853 110.504 108.800 -0.248 0.000 2.707 205 G HA2 0.610 4.570 3.960 -0.000 0.000 0.299 205 G HA3 0.610 4.570 3.960 -0.000 0.000 0.299 205 G C -0.587 174.249 174.900 -0.107 0.000 1.442 205 G CA -0.065 44.977 45.100 -0.095 0.000 1.009 205 G HN 0.751 nan 8.290 nan 0.000 0.515 206 S N 1.067 116.762 115.700 -0.009 0.000 2.667 206 S HA 0.629 5.099 4.470 -0.000 0.000 0.292 206 S C 1.612 176.224 174.600 0.021 0.000 1.108 206 S CA 0.309 58.516 58.200 0.011 0.000 0.992 206 S CB 1.412 64.663 63.200 0.086 0.000 1.269 206 S HN 0.381 nan 8.310 nan 0.000 0.528 207 S N 0.704 116.423 115.700 0.033 0.000 2.387 207 S HA 0.033 4.502 4.470 -0.000 0.000 0.221 207 S C 1.865 176.485 174.600 0.033 0.000 1.041 207 S CA 1.046 59.261 58.200 0.024 0.000 0.959 207 S CB -0.410 62.803 63.200 0.022 0.000 0.843 207 S HN 0.739 nan 8.310 nan 0.000 0.488 208 K N 0.612 121.048 120.400 0.060 0.000 1.980 208 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 208 K C 0.789 177.428 176.600 0.065 0.000 1.043 208 K CA 0.674 56.998 56.287 0.062 0.000 0.938 208 K CB -0.588 31.959 32.500 0.079 0.000 0.724 208 K HN 0.333 nan 8.250 nan 0.000 0.438 209 Y N 1.509 121.803 120.300 -0.009 0.000 2.411 209 Y HA 0.087 4.637 4.550 -0.000 0.000 0.333 209 Y C -0.574 175.295 175.900 -0.051 0.000 1.186 209 Y CA 0.218 58.309 58.100 -0.015 0.000 1.381 209 Y CB 0.814 39.289 38.460 0.026 0.000 1.273 209 Y HN 0.386 nan 8.280 nan 0.000 0.546 210 N N 3.801 122.362 118.700 -0.232 0.000 2.728 210 N HA 0.120 4.860 4.740 -0.000 0.000 0.221 210 N C -1.818 173.561 175.510 -0.218 0.000 1.412 210 N CA -0.396 52.590 53.050 -0.107 0.000 1.003 210 N CB 0.224 38.656 38.487 -0.091 0.000 1.525 210 N HN 0.657 nan 8.380 nan 0.000 0.552 211 R N 1.201 121.565 120.500 -0.227 0.000 2.337 211 R HA 0.407 4.747 4.340 -0.000 0.000 0.319 211 R C -0.360 175.635 176.300 -0.508 0.000 0.954 211 R CA -0.797 55.059 56.100 -0.406 0.000 0.840 211 R CB 0.651 30.591 30.300 -0.600 0.000 1.164 211 R HN 0.250 nan 8.270 nan 0.000 0.472 212 R N 4.334 124.623 120.500 -0.351 0.000 2.449 212 R HA 0.111 4.451 4.340 -0.000 0.000 0.296 212 R C -1.195 174.881 176.300 -0.373 0.000 1.047 212 R CA 0.427 56.385 56.100 -0.237 0.000 1.018 212 R CB 0.336 30.584 30.300 -0.087 0.000 0.962 212 R HN 0.371 nan 8.270 nan 0.000 0.428 213 F N 1.361 121.363 119.950 0.087 0.000 2.572 213 F HA 0.522 5.049 4.527 -0.000 0.000 0.342 213 F C 0.570 176.426 175.800 0.093 0.000 1.064 213 F CA -0.728 57.321 58.000 0.081 0.000 1.008 213 F CB 2.302 41.341 39.000 0.065 0.000 1.303 213 F HN 0.412 nan 8.300 nan 0.000 0.492 214 T N 2.081 116.832 114.554 0.328 0.000 3.172 214 T HA 0.427 4.777 4.350 -0.000 0.000 0.320 214 T C -3.058 171.721 174.700 0.132 0.000 1.085 214 T CA -1.761 60.451 62.100 0.186 0.000 1.052 214 T CB 1.304 70.258 68.868 0.143 0.000 1.107 214 T HN 0.214 nan 8.240 nan 0.000 0.458 215 P HA 0.339 nan 4.420 nan 0.000 0.276 215 P C -0.901 176.461 177.300 0.102 0.000 1.243 215 P CA -0.154 62.902 63.100 -0.073 0.000 0.768 215 P CB 0.339 31.920 31.700 -0.198 0.000 0.856 216 E N 3.201 123.582 120.200 0.303 0.000 2.173 216 E HA 0.294 4.643 4.350 -0.000 0.000 0.249 216 E C -0.145 176.527 176.600 0.121 0.000 0.923 216 E CA -0.470 56.035 56.400 0.175 0.000 0.754 216 E CB 0.377 30.154 29.700 0.129 0.000 1.177 216 E HN 0.442 nan 8.360 nan 0.000 0.430 217 I N 2.977 123.590 120.570 0.070 0.000 2.581 217 I HA 0.158 4.328 4.170 -0.000 0.000 0.285 217 I C 0.398 176.541 176.117 0.043 0.000 1.129 217 I CA 0.368 61.698 61.300 0.051 0.000 1.397 217 I CB 0.255 38.278 38.000 0.037 0.000 1.399 217 I HN 0.482 nan 8.210 nan 0.000 0.537 218 A N 5.375 128.221 122.820 0.042 0.000 2.583 218 A HA 0.888 5.208 4.320 -0.000 0.000 0.289 218 A C -0.968 176.635 177.584 0.033 0.000 1.151 218 A CA -0.712 51.343 52.037 0.031 0.000 0.695 218 A CB 1.255 20.266 19.000 0.018 0.000 1.290 218 A HN 0.671 nan 8.150 nan 0.000 0.419 219 A N 0.758 123.593 122.820 0.026 0.000 2.279 219 A HA 0.652 4.971 4.320 -0.000 0.000 0.306 219 A C 0.152 177.748 177.584 0.020 0.000 1.300 219 A CA -0.326 51.726 52.037 0.025 0.000 0.925 219 A CB -0.088 18.925 19.000 0.021 0.000 1.152 219 A HN 0.664 nan 8.150 nan 0.000 0.544 220 R N 2.613 123.126 120.500 0.023 0.000 2.803 220 R HA 0.554 4.894 4.340 -0.000 0.000 0.276 220 R C -2.759 173.549 176.300 0.014 0.000 0.978 220 R CA -1.887 54.221 56.100 0.015 0.000 0.939 220 R CB 0.882 31.190 30.300 0.013 0.000 1.179 220 R HN 0.426 nan 8.270 nan 0.000 0.472 221 P HA -0.006 nan 4.420 nan 0.000 0.269 221 P C -0.933 176.369 177.300 0.003 0.000 1.217 221 P CA -0.172 62.932 63.100 0.006 0.000 0.783 221 P CB 0.517 32.219 31.700 0.003 0.000 0.898 222 K N 0.837 121.239 120.400 0.002 0.000 2.312 222 K HA 0.351 4.670 4.320 -0.000 0.000 0.287 222 K C -0.909 175.682 176.600 -0.017 0.000 1.062 222 K CA -0.400 55.884 56.287 -0.004 0.000 0.934 222 K CB 0.442 32.944 32.500 0.004 0.000 1.027 222 K HN 0.149 nan 8.250 nan 0.000 0.478 223 V N 4.879 124.771 119.914 -0.037 0.000 2.409 223 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 223 V C 0.263 176.317 176.094 -0.066 0.000 1.020 223 V CA -0.852 61.422 62.300 -0.043 0.000 0.848 223 V CB 1.278 33.074 31.823 -0.045 0.000 0.990 223 V HN 0.867 nan 8.190 nan 0.000 0.430 224 R N 2.630 123.106 120.500 -0.041 0.000 3.516 224 R HA -0.227 4.113 4.340 -0.000 0.000 0.271 224 R C 0.242 176.520 176.300 -0.036 0.000 1.098 224 R CA 0.961 57.039 56.100 -0.036 0.000 0.732 224 R CB -1.390 28.883 30.300 -0.045 0.000 1.152 224 R HN 1.068 nan 8.270 nan 0.000 0.455 225 D N -0.431 119.955 120.400 -0.023 0.000 2.716 225 D HA -0.158 4.482 4.640 -0.000 0.000 0.239 225 D C -1.078 175.218 176.300 -0.006 0.000 1.125 225 D CA 1.248 55.245 54.000 -0.005 0.000 0.681 225 D CB 0.006 40.813 40.800 0.012 0.000 1.070 225 D HN 0.273 nan 8.370 nan 0.000 0.432 226 Q N -0.629 119.150 119.800 -0.034 0.000 2.309 226 Q HA 0.563 4.903 4.340 -0.000 0.000 0.254 226 Q C 0.119 176.112 176.000 -0.011 0.000 0.938 226 Q CA 0.062 55.842 55.803 -0.038 0.000 0.789 226 Q CB 1.561 30.164 28.738 -0.225 0.000 1.313 226 Q HN 0.174 nan 8.270 nan 0.000 0.438 227 A N 1.366 124.215 122.820 0.049 0.000 2.259 227 A HA 0.420 4.740 4.320 -0.000 0.000 0.208 227 A C 0.846 178.488 177.584 0.097 0.000 1.201 227 A CA 0.781 52.852 52.037 0.056 0.000 0.824 227 A CB 0.144 19.180 19.000 0.060 0.000 0.838 227 A HN 0.523 nan 8.150 nan 0.000 0.485 228 G N -0.684 108.212 108.800 0.159 0.000 2.471 228 G HA2 0.612 4.572 3.960 -0.000 0.000 0.332 228 G HA3 0.612 4.572 3.960 -0.000 0.000 0.332 228 G C -0.411 174.649 174.900 0.267 0.000 1.176 228 G CA -0.643 44.631 45.100 0.290 0.000 0.949 228 G HN 0.168 nan 8.290 nan 0.000 0.488 229 R N -0.502 120.215 120.500 0.362 0.000 2.836 229 R HA 0.576 4.916 4.340 -0.000 0.000 0.269 229 R C -1.297 175.288 176.300 0.475 0.000 1.010 229 R CA -0.919 55.373 56.100 0.320 0.000 0.930 229 R CB 2.261 32.627 30.300 0.110 0.000 1.218 229 R HN 0.568 nan 8.270 nan 0.000 0.473 230 M N 1.860 121.643 119.600 0.306 0.000 2.183 230 M HA 0.352 4.832 4.480 -0.000 0.000 0.277 230 M C -1.469 174.590 176.300 -0.402 0.000 0.995 230 M CA -0.570 54.732 55.300 0.004 0.000 0.969 230 M CB 1.721 34.244 32.600 -0.129 0.000 1.659 230 M HN 0.345 nan 8.290 nan 0.000 0.462 231 N N 3.918 122.414 118.700 -0.341 0.000 2.444 231 N HA 0.277 5.017 4.740 -0.000 0.000 0.271 231 N C -1.660 173.228 175.510 -1.036 0.000 1.069 231 N CA 0.113 52.801 53.050 -0.604 0.000 0.965 231 N CB 0.648 38.889 38.487 -0.411 0.000 1.092 231 N HN 0.465 nan 8.380 nan 0.000 0.476 232 Y N 1.688 121.522 120.300 -0.777 0.000 2.310 232 Y HA 0.342 4.892 4.550 -0.000 0.000 0.326 232 Y C -0.108 175.050 175.900 -1.236 0.000 1.151 232 Y CA -0.347 57.158 58.100 -0.990 0.000 1.195 232 Y CB 0.703 38.417 38.460 -1.242 0.000 1.210 232 Y HN 0.395 nan 8.280 nan 0.000 0.483 233 Y N 1.723 121.564 120.300 -0.764 0.000 2.576 233 Y HA 0.462 5.012 4.550 -0.000 0.000 0.346 233 Y C -0.513 174.967 175.900 -0.700 0.000 1.018 233 Y CA -1.564 56.034 58.100 -0.836 0.000 1.050 233 Y CB 1.907 39.414 38.460 -1.589 0.000 1.280 233 Y HN 0.698 nan 8.280 nan 0.000 0.474 234 W N -0.136 120.989 121.300 -0.292 0.000 3.060 234 W HA 0.829 5.489 4.660 -0.000 0.000 0.346 234 W C -1.749 174.852 176.519 0.136 0.000 1.194 234 W CA -1.139 56.190 57.345 -0.026 0.000 1.105 234 W CB 1.458 31.030 29.460 0.186 0.000 1.487 234 W HN 0.631 nan 8.180 nan 0.000 0.592 235 T N 0.514 115.303 114.554 0.391 0.000 2.927 235 T HA 0.388 4.738 4.350 -0.000 0.000 0.350 235 T C -2.084 172.847 174.700 0.386 0.000 1.746 235 T CA -0.663 61.533 62.100 0.160 0.000 1.081 235 T CB 0.795 69.687 68.868 0.039 0.000 1.551 235 T HN 0.484 nan 8.240 nan 0.000 0.489 236 L N 4.008 125.424 121.223 0.322 0.000 2.277 236 L HA 0.566 4.906 4.340 -0.000 0.000 0.284 236 L C -0.416 176.595 176.870 0.236 0.000 1.028 236 L CA -0.991 54.041 54.840 0.320 0.000 0.835 236 L CB 1.266 43.526 42.059 0.335 0.000 1.215 236 L HN 0.488 nan 8.230 nan 0.000 0.425 237 L N 4.149 125.514 121.223 0.236 0.000 2.281 237 L HA 0.280 4.620 4.340 -0.000 0.000 0.285 237 L C 0.236 177.214 176.870 0.180 0.000 1.074 237 L CA 0.317 55.277 54.840 0.199 0.000 0.817 237 L CB 0.723 42.922 42.059 0.234 0.000 1.168 237 L HN 0.491 nan 8.230 nan 0.000 0.434 238 E N 6.130 126.411 120.200 0.136 0.000 2.319 238 E HA 0.287 4.637 4.350 -0.000 0.000 0.268 238 E C -2.274 174.378 176.600 0.087 0.000 1.050 238 E CA -1.970 54.498 56.400 0.113 0.000 0.878 238 E CB 0.532 30.288 29.700 0.093 0.000 1.066 238 E HN 0.472 nan 8.360 nan 0.000 0.406 239 P HA -0.139 nan 4.420 nan 0.000 0.255 239 P C 0.444 177.759 177.300 0.025 0.000 1.161 239 P CA 1.435 64.564 63.100 0.047 0.000 0.768 239 P CB 0.143 31.868 31.700 0.042 0.000 0.746 240 G N 2.150 110.950 108.800 0.000 0.000 2.254 240 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.225 240 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.225 240 G C 0.221 175.109 174.900 -0.020 0.000 1.003 240 G CA -0.073 45.017 45.100 -0.017 0.000 0.622 240 G HN 0.586 nan 8.290 nan 0.000 0.507 241 D N 1.222 121.625 120.400 0.006 0.000 2.329 241 D HA 0.622 5.261 4.640 -0.000 0.000 0.246 241 D C 0.279 176.575 176.300 -0.007 0.000 1.111 241 D CA 0.589 54.596 54.000 0.012 0.000 0.941 241 D CB 1.022 41.849 40.800 0.045 0.000 1.169 241 D HN 0.119 nan 8.370 nan 0.000 0.441 242 T N 2.008 116.559 114.554 -0.005 0.000 2.856 242 T HA 0.498 4.848 4.350 -0.000 0.000 0.283 242 T C -0.167 174.550 174.700 0.028 0.000 1.008 242 T CA -0.636 61.459 62.100 -0.008 0.000 0.997 242 T CB 0.991 69.848 68.868 -0.019 0.000 0.992 242 T HN 0.334 nan 8.240 nan 0.000 0.454 243 I N 2.217 122.835 120.570 0.081 0.000 2.465 243 I HA 0.519 4.689 4.170 -0.000 0.000 0.291 243 I C -0.891 175.201 176.117 -0.042 0.000 1.014 243 I CA -0.347 60.940 61.300 -0.021 0.000 1.093 243 I CB 1.475 39.460 38.000 -0.025 0.000 1.267 243 I HN 0.553 nan 8.210 nan 0.000 0.431 244 T N 7.097 121.532 114.554 -0.198 0.000 2.829 244 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 244 T C -0.858 173.676 174.700 -0.276 0.000 0.999 244 T CA -0.196 61.847 62.100 -0.094 0.000 0.983 244 T CB 0.984 69.831 68.868 -0.035 0.000 0.968 244 T HN 0.252 nan 8.240 nan 0.000 0.446 245 F N 1.509 121.440 119.950 -0.032 0.000 2.469 245 F HA 0.560 5.087 4.527 -0.000 0.000 0.332 245 F C 0.636 176.408 175.800 -0.046 0.000 1.103 245 F CA -0.896 57.056 58.000 -0.080 0.000 0.979 245 F CB 1.742 40.680 39.000 -0.103 0.000 1.137 245 F HN 0.468 nan 8.300 nan 0.000 0.463 246 E N 1.671 121.939 120.200 0.114 0.000 2.248 246 E HA 0.839 5.189 4.350 -0.000 0.000 0.267 246 E C -1.549 175.014 176.600 -0.062 0.000 0.877 246 E CA -0.841 55.594 56.400 0.058 0.000 0.759 246 E CB 2.075 31.828 29.700 0.088 0.000 1.182 246 E HN 0.742 nan 8.360 nan 0.000 0.418 247 A N 1.492 124.237 122.820 -0.124 0.000 2.574 247 A HA 0.493 4.813 4.320 -0.000 0.000 0.297 247 A C -0.159 177.331 177.584 -0.156 0.000 1.062 247 A CA -0.495 51.387 52.037 -0.258 0.000 0.686 247 A CB 1.590 20.524 19.000 -0.110 0.000 1.285 247 A HN 0.618 nan 8.150 nan 0.000 0.403 248 T N -1.766 112.576 114.554 -0.353 0.000 3.091 248 T HA 0.591 4.941 4.350 -0.000 0.000 0.277 248 T C 0.651 175.027 174.700 -0.541 0.000 0.996 248 T CA 0.595 62.608 62.100 -0.145 0.000 0.897 248 T CB 0.036 68.837 68.868 -0.113 0.000 1.109 248 T HN 2.317 nan 8.240 nan 0.000 0.534 249 G N 0.663 109.059 108.800 -0.673 0.000 2.315 249 G HA2 0.366 4.325 3.960 -0.000 0.000 0.294 249 G HA3 0.366 4.325 3.960 -0.000 0.000 0.294 249 G C -0.563 173.806 174.900 -0.885 0.000 1.300 249 G CA -0.226 44.237 45.100 -1.062 0.000 0.843 249 G HN -0.036 nan 8.290 nan 0.000 0.527 250 N N -2.278 115.445 118.700 -1.629 0.000 2.900 250 N HA -0.195 4.545 4.740 -0.000 0.000 0.240 250 N C 0.447 175.770 175.510 -0.312 0.000 0.953 250 N CA 1.342 53.813 53.050 -0.965 0.000 0.950 250 N CB -0.645 37.362 38.487 -0.799 0.000 1.102 250 N HN 0.890 nan 8.380 nan 0.000 0.593 251 L N 2.823 123.954 121.223 -0.153 0.000 2.313 251 L HA 0.296 4.636 4.340 -0.000 0.000 0.282 251 L C 0.228 177.069 176.870 -0.048 0.000 1.092 251 L CA -0.046 54.754 54.840 -0.066 0.000 0.831 251 L CB 0.394 42.407 42.059 -0.077 0.000 1.159 251 L HN -0.002 nan 8.230 nan 0.000 0.442 252 I N 6.624 127.158 120.570 -0.060 0.000 2.224 252 I HA 0.233 4.403 4.170 -0.000 0.000 0.293 252 I C 0.944 177.076 176.117 0.025 0.000 1.155 252 I CA -0.256 61.012 61.300 -0.054 0.000 1.297 252 I CB -0.485 37.466 38.000 -0.081 0.000 1.487 252 I HN 0.771 nan 8.210 nan 0.000 0.564 253 A N 8.780 131.541 122.820 -0.099 0.000 2.555 253 A HA 0.240 4.560 4.320 -0.000 0.000 0.233 253 A C -2.116 175.514 177.584 0.078 0.000 1.060 253 A CA -0.554 51.399 52.037 -0.140 0.000 0.759 253 A CB -0.694 18.128 19.000 -0.297 0.000 0.995 253 A HN 0.411 nan 8.150 nan 0.000 0.506 254 P HA -0.041 nan 4.420 nan 0.000 0.264 254 P C 0.011 177.489 177.300 0.298 0.000 1.193 254 P CA 0.090 63.291 63.100 0.167 0.000 0.763 254 P CB 0.366 32.092 31.700 0.044 0.000 0.810 255 W N 4.505 125.829 121.300 0.039 0.000 2.922 255 W HA 0.216 4.876 4.660 -0.000 0.000 0.260 255 W C -0.471 175.810 176.519 -0.398 0.000 1.088 255 W CA 0.863 58.194 57.345 -0.024 0.000 1.694 255 W CB -0.331 29.219 29.460 0.151 0.000 1.064 255 W HN 0.230 nan 8.180 nan 0.000 0.611 256 Y N 0.209 120.375 120.300 -0.223 0.000 2.446 256 Y HA 0.618 5.168 4.550 -0.000 0.000 0.345 256 Y C 0.443 175.815 175.900 -0.880 0.000 0.984 256 Y CA -0.654 57.049 58.100 -0.661 0.000 1.058 256 Y CB 1.562 39.575 38.460 -0.744 0.000 1.220 256 Y HN -0.072 nan 8.280 nan 0.000 0.455 257 A N 2.164 124.283 122.820 -1.168 0.000 2.483 257 A HA 0.918 5.238 4.320 -0.000 0.000 0.286 257 A C -2.046 174.808 177.584 -1.217 0.000 1.207 257 A CA -0.711 50.685 52.037 -1.068 0.000 0.764 257 A CB 1.121 19.597 19.000 -0.873 0.000 1.341 257 A HN 0.540 nan 8.150 nan 0.000 0.428 258 F N -0.240 119.536 119.950 -0.290 0.000 2.539 258 F HA 0.620 5.147 4.527 -0.000 0.000 0.318 258 F C 0.534 176.414 175.800 0.134 0.000 1.135 258 F CA -0.406 57.475 58.000 -0.198 0.000 0.915 258 F CB 2.166 40.868 39.000 -0.497 0.000 1.176 258 F HN 0.685 nan 8.300 nan 0.000 0.440 259 A N 4.963 128.039 122.820 0.425 0.000 2.289 259 A HA 0.762 5.082 4.320 -0.000 0.000 0.298 259 A C -0.718 177.072 177.584 0.344 0.000 1.208 259 A CA -0.466 51.779 52.037 0.348 0.000 0.845 259 A CB 0.304 19.443 19.000 0.233 0.000 1.125 259 A HN 0.811 nan 8.150 nan 0.000 0.517 260 L N 2.797 124.194 121.223 0.289 0.000 2.309 260 L HA 0.363 4.703 4.340 -0.000 0.000 0.282 260 L C -0.313 176.660 176.870 0.171 0.000 1.036 260 L CA -0.779 54.229 54.840 0.279 0.000 0.806 260 L CB 1.255 43.468 42.059 0.257 0.000 1.220 260 L HN 0.606 nan 8.230 nan 0.000 0.429 261 N N 3.070 121.838 118.700 0.114 0.000 2.469 261 N HA 0.286 5.026 4.740 -0.000 0.000 0.253 261 N C -0.664 174.843 175.510 -0.005 0.000 0.970 261 N CA -0.666 52.403 53.050 0.032 0.000 0.940 261 N CB 1.499 39.972 38.487 -0.024 0.000 1.128 261 N HN 0.336 nan 8.380 nan 0.000 0.503 262 R N 0.949 121.460 120.500 0.018 0.000 2.438 262 R HA 0.362 4.702 4.340 -0.000 0.000 0.287 262 R C 0.960 177.249 176.300 -0.018 0.000 1.077 262 R CA -0.176 55.933 56.100 0.014 0.000 1.034 262 R CB 0.681 31.003 30.300 0.036 0.000 0.993 262 R HN 0.653 nan 8.270 nan 0.000 0.459 263 G N 0.317 109.100 108.800 -0.028 0.000 3.345 263 G HA2 0.305 4.264 3.960 -0.000 0.000 0.202 263 G HA3 0.305 4.264 3.960 -0.000 0.000 0.202 263 G C 0.358 175.251 174.900 -0.012 0.000 1.740 263 G CA 0.084 45.160 45.100 -0.040 0.000 0.806 263 G HN 0.671 nan 8.290 nan 0.000 0.718 264 G N -0.266 108.537 108.800 0.005 0.000 2.439 264 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.305 264 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.305 264 G C 0.623 175.528 174.900 0.008 0.000 0.966 264 G CA 1.501 46.600 45.100 -0.001 0.000 0.890 264 G HN 1.049 nan 8.290 nan 0.000 0.513 265 S N -1.305 114.414 115.700 0.032 0.000 2.690 265 S HA 0.954 5.424 4.470 -0.000 0.000 0.285 265 S C 0.655 175.295 174.600 0.067 0.000 1.135 265 S CA 0.856 59.104 58.200 0.080 0.000 1.020 265 S CB 1.860 65.126 63.200 0.110 0.000 1.159 265 S HN 1.962 nan 8.310 nan 0.000 0.534 266 G N -0.385 108.482 108.800 0.112 0.000 2.321 266 G HA2 0.401 4.360 3.960 -0.000 0.000 0.296 266 G HA3 0.401 4.360 3.960 -0.000 0.000 0.296 266 G C -2.062 172.874 174.900 0.060 0.000 1.287 266 G CA -0.764 44.369 45.100 0.055 0.000 0.846 266 G HN 0.736 nan 8.290 nan 0.000 0.508 267 I N 1.078 121.646 120.570 -0.005 0.000 2.433 267 I HA 0.632 4.802 4.170 -0.000 0.000 0.292 267 I C 0.188 176.277 176.117 -0.047 0.000 1.001 267 I CA -0.860 60.420 61.300 -0.034 0.000 1.119 267 I CB 1.773 39.725 38.000 -0.080 0.000 1.289 267 I HN 0.686 nan 8.210 nan 0.000 0.438 268 I N 1.173 121.722 120.570 -0.034 0.000 3.042 268 I HA 0.669 4.839 4.170 -0.000 0.000 0.310 268 I C -0.824 175.245 176.117 -0.079 0.000 1.117 268 I CA -0.457 60.797 61.300 -0.076 0.000 1.003 268 I CB 2.559 40.496 38.000 -0.105 0.000 1.228 268 I HN 0.287 nan 8.210 nan 0.000 0.443 269 T N 2.651 117.146 114.554 -0.098 0.000 2.772 269 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 269 T C -0.522 174.129 174.700 -0.081 0.000 0.994 269 T CA -0.472 61.581 62.100 -0.078 0.000 0.951 269 T CB 0.838 69.669 68.868 -0.062 0.000 0.933 269 T HN 0.709 nan 8.240 nan 0.000 0.447 270 S N 1.680 117.343 115.700 -0.062 0.000 2.537 270 S HA 0.435 4.905 4.470 -0.000 0.000 0.270 270 S C -1.002 173.578 174.600 -0.032 0.000 1.142 270 S CA -0.717 57.454 58.200 -0.049 0.000 0.870 270 S CB 1.547 64.711 63.200 -0.060 0.000 1.112 270 S HN 0.515 nan 8.310 nan 0.000 0.466 271 D N 1.842 122.235 120.400 -0.011 0.000 2.431 271 D HA 0.348 4.987 4.640 -0.000 0.000 0.213 271 D C 0.577 176.870 176.300 -0.012 0.000 1.130 271 D CA 0.087 54.080 54.000 -0.012 0.000 0.834 271 D CB 0.900 41.699 40.800 -0.001 0.000 0.985 271 D HN 0.645 nan 8.370 nan 0.000 0.504 272 A N 2.240 125.053 122.820 -0.012 0.000 2.407 272 A HA 0.423 4.743 4.320 -0.000 0.000 0.248 272 A C -2.156 175.390 177.584 -0.063 0.000 1.082 272 A CA -0.782 51.239 52.037 -0.027 0.000 0.785 272 A CB 0.042 19.032 19.000 -0.017 0.000 1.020 272 A HN -0.069 nan 8.150 nan 0.000 0.489 273 P HA 0.283 nan 4.420 nan 0.000 0.279 273 P C -0.574 176.602 177.300 -0.207 0.000 1.239 273 P CA -0.230 62.791 63.100 -0.131 0.000 0.789 273 P CB 0.912 32.535 31.700 -0.128 0.000 0.933 274 V N 4.248 124.100 119.914 -0.103 0.000 2.572 274 V HA 0.118 4.238 4.120 -0.000 0.000 0.291 274 V C 0.802 176.924 176.094 0.048 0.000 1.039 274 V CA 0.232 62.494 62.300 -0.063 0.000 1.055 274 V CB -0.901 30.902 31.823 -0.033 0.000 0.969 274 V HN 0.605 nan 8.190 nan 0.000 0.482 275 H N 2.023 121.099 119.070 0.010 0.000 2.858 275 H HA 0.354 4.910 4.556 -0.000 0.000 0.318 275 H C -0.565 174.768 175.328 0.008 0.000 1.419 275 H CA -1.005 55.048 56.048 0.008 0.000 1.373 275 H CB 1.467 31.238 29.762 0.014 0.000 1.915 275 H HN 0.571 nan 8.280 nan 0.000 0.704 276 D N 1.081 121.569 120.400 0.147 0.000 2.631 276 D HA 0.171 4.810 4.640 -0.000 0.000 0.227 276 D C -1.409 174.931 176.300 0.066 0.000 1.146 276 D CA 0.090 54.132 54.000 0.069 0.000 1.009 276 D CB -0.601 40.215 40.800 0.027 0.000 1.057 276 D HN 0.305 nan 8.370 nan 0.000 0.509 277 C N 2.839 122.186 119.300 0.078 0.000 2.888 277 C HA 0.643 5.103 4.460 -0.000 0.000 0.308 277 C C -1.159 173.869 174.990 0.063 0.000 1.213 277 C CA -0.828 58.237 59.018 0.078 0.000 1.461 277 C CB 1.374 29.182 27.740 0.113 0.000 1.934 277 C HN 0.495 nan 8.230 nan 0.000 0.474 278 N N 1.805 120.536 118.700 0.051 0.000 2.314 278 N HA 0.731 5.471 4.740 -0.000 0.000 0.294 278 N C -0.974 174.558 175.510 0.038 0.000 1.029 278 N CA 0.182 53.258 53.050 0.043 0.000 0.845 278 N CB 2.170 40.677 38.487 0.033 0.000 1.321 278 N HN 0.845 nan 8.380 nan 0.000 0.481 279 T N 0.637 115.212 114.554 0.035 0.000 2.864 279 T HA 0.410 4.760 4.350 -0.000 0.000 0.299 279 T C 0.047 174.753 174.700 0.010 0.000 1.166 279 T CA -0.420 61.693 62.100 0.022 0.000 1.007 279 T CB 0.938 69.817 68.868 0.017 0.000 1.219 279 T HN 0.447 nan 8.240 nan 0.000 0.506 280 K N 0.398 120.798 120.400 -0.000 0.000 2.358 280 K HA 0.375 4.695 4.320 -0.000 0.000 0.197 280 K C -0.318 176.265 176.600 -0.028 0.000 1.025 280 K CA -0.095 56.187 56.287 -0.010 0.000 1.104 280 K CB 0.421 32.917 32.500 -0.007 0.000 0.855 280 K HN 0.463 nan 8.250 nan 0.000 0.531 281 c N 1.047 119.625 118.600 -0.037 0.000 2.817 281 c HA 0.352 4.922 4.570 -0.000 0.000 0.385 281 c C -1.864 172.173 174.090 -0.087 0.000 1.050 281 c CA -0.677 55.616 56.329 -0.060 0.000 1.245 281 c CB 0.778 43.269 42.510 -0.032 0.000 1.706 281 c HN 0.318 nan 8.230 nan 0.000 0.488 282 Q N 3.240 122.940 119.800 -0.167 0.000 2.377 282 Q HA 0.878 5.218 4.340 -0.000 0.000 0.271 282 Q C -0.523 175.319 176.000 -0.264 0.000 1.077 282 Q CA 0.079 55.747 55.803 -0.224 0.000 0.820 282 Q CB 2.236 30.739 28.738 -0.392 0.000 1.347 282 Q HN 0.808 nan 8.270 nan 0.000 0.444 283 T N 3.879 118.284 114.554 -0.249 0.000 2.906 283 T HA 0.415 4.764 4.350 -0.000 0.000 0.295 283 T C -2.172 172.311 174.700 -0.362 0.000 1.075 283 T CA -1.478 60.424 62.100 -0.331 0.000 1.005 283 T CB 1.463 70.162 68.868 -0.282 0.000 1.136 283 T HN 0.466 nan 8.240 nan 0.000 0.498 284 P HA -0.099 nan 4.420 nan 0.000 0.220 284 P C 1.052 178.205 177.300 -0.245 0.000 1.148 284 P CA 1.194 64.043 63.100 -0.419 0.000 0.803 284 P CB 0.090 31.422 31.700 -0.613 0.000 0.782 285 H N -1.063 117.833 119.070 -0.290 0.000 2.535 285 H HA 0.331 4.887 4.556 -0.000 0.000 0.273 285 H C 1.464 176.621 175.328 -0.286 0.000 0.983 285 H CA 1.097 56.985 56.048 -0.267 0.000 1.238 285 H CB -0.142 29.385 29.762 -0.393 0.000 1.412 285 H HN 0.155 nan 8.280 nan 0.000 0.562 286 G N -1.086 107.632 108.800 -0.137 0.000 2.351 286 G HA2 0.319 4.279 3.960 -0.000 0.000 0.353 286 G HA3 0.319 4.279 3.960 -0.000 0.000 0.353 286 G C -1.282 173.595 174.900 -0.040 0.000 1.358 286 G CA -0.483 44.603 45.100 -0.023 0.000 0.995 286 G HN 0.415 nan 8.290 nan 0.000 0.611 287 A N -0.477 122.369 122.820 0.043 0.000 2.316 287 A HA 0.831 5.151 4.320 -0.000 0.000 0.284 287 A C 0.187 177.816 177.584 0.075 0.000 1.115 287 A CA -0.336 51.717 52.037 0.026 0.000 0.812 287 A CB 0.435 19.453 19.000 0.029 0.000 1.064 287 A HN 0.968 nan 8.150 nan 0.000 0.489 288 I N 1.393 121.990 120.570 0.045 0.000 2.493 288 I HA 0.320 4.490 4.170 -0.000 0.000 0.298 288 I C -0.379 175.762 176.117 0.041 0.000 0.998 288 I CA -0.571 60.768 61.300 0.065 0.000 1.137 288 I CB 2.099 40.133 38.000 0.056 0.000 1.310 288 I HN 0.720 nan 8.210 nan 0.000 0.445 289 N N 4.084 122.811 118.700 0.044 0.000 2.675 289 N HA 0.345 5.085 4.740 -0.000 0.000 0.254 289 N C -1.499 174.027 175.510 0.027 0.000 1.224 289 N CA -0.177 52.891 53.050 0.030 0.000 0.777 289 N CB 1.118 39.623 38.487 0.030 0.000 1.256 289 N HN 0.653 nan 8.380 nan 0.000 0.531 290 S N 0.987 116.700 115.700 0.021 0.000 2.567 290 S HA 0.537 5.007 4.470 -0.000 0.000 0.270 290 S C -0.664 173.938 174.600 0.004 0.000 1.152 290 S CA -0.351 57.859 58.200 0.018 0.000 0.835 290 S CB 0.450 63.668 63.200 0.031 0.000 1.115 290 S HN 0.422 nan 8.310 nan 0.000 0.459 291 S N 2.264 117.963 115.700 -0.002 0.000 2.843 291 S HA 0.412 4.882 4.470 -0.000 0.000 0.249 291 S C 0.023 174.604 174.600 -0.031 0.000 1.047 291 S CA -0.564 57.625 58.200 -0.018 0.000 1.042 291 S CB -0.670 62.520 63.200 -0.017 0.000 0.936 291 S HN 0.622 nan 8.310 nan 0.000 0.531 292 L N 2.011 123.221 121.223 -0.022 0.000 2.452 292 L HA 0.324 4.664 4.340 -0.000 0.000 0.267 292 L C -0.996 175.809 176.870 -0.109 0.000 1.188 292 L CA -1.960 52.857 54.840 -0.038 0.000 0.821 292 L CB 0.205 42.271 42.059 0.011 0.000 1.102 292 L HN 0.031 nan 8.230 nan 0.000 0.470 293 P HA -0.088 nan 4.420 nan 0.000 0.221 293 P C -0.080 176.837 177.300 -0.638 0.000 1.150 293 P CA 1.335 64.126 63.100 -0.516 0.000 0.800 293 P CB 0.187 31.413 31.700 -0.790 0.000 0.787 294 F N -0.385 119.566 119.950 0.002 0.000 2.593 294 F HA 0.489 5.016 4.527 -0.000 0.000 0.320 294 F C 0.192 175.996 175.800 0.007 0.000 1.060 294 F CA -1.054 56.942 58.000 -0.006 0.000 0.940 294 F CB 1.857 40.839 39.000 -0.031 0.000 1.268 294 F HN -0.267 nan 8.300 nan 0.000 0.475 295 Q N 0.262 120.203 119.800 0.235 0.000 2.377 295 Q HA 0.381 4.721 4.340 -0.000 0.000 0.279 295 Q C -1.252 174.825 176.000 0.127 0.000 1.049 295 Q CA -0.957 54.947 55.803 0.168 0.000 0.825 295 Q CB 1.630 30.471 28.738 0.171 0.000 1.401 295 Q HN 0.502 nan 8.270 nan 0.000 0.404 296 N N 1.519 120.289 118.700 0.118 0.000 2.282 296 N HA 0.201 4.941 4.740 -0.000 0.000 0.240 296 N C -0.195 175.505 175.510 0.316 0.000 1.182 296 N CA -0.155 52.944 53.050 0.082 0.000 0.874 296 N CB 0.040 38.507 38.487 -0.033 0.000 1.126 296 N HN 0.739 nan 8.380 nan 0.000 0.516 297 I N -0.637 120.136 120.570 0.339 0.000 2.333 297 I HA 0.004 4.174 4.170 -0.000 0.000 0.246 297 I C 0.388 176.674 176.117 0.281 0.000 1.106 297 I CA 0.941 62.425 61.300 0.306 0.000 1.411 297 I CB -0.086 38.049 38.000 0.226 0.000 1.082 297 I HN 0.263 nan 8.210 nan 0.000 0.420 298 H N -0.368 118.732 119.070 0.050 0.000 3.140 298 H HA 0.141 4.697 4.556 -0.000 0.000 0.336 298 H C -2.282 172.595 175.328 -0.752 0.000 1.142 298 H CA -1.062 54.751 56.048 -0.392 0.000 1.308 298 H CB 2.397 31.932 29.762 -0.378 0.000 1.970 298 H HN -0.270 nan 8.280 nan 0.000 0.521 299 P HA -0.057 nan 4.420 nan 0.000 0.223 299 P C 0.377 177.599 177.300 -0.130 0.000 1.151 299 P CA 0.369 63.048 63.100 -0.702 0.000 0.787 299 P CB 0.838 32.158 31.700 -0.633 0.000 0.788 300 V N 0.595 120.612 119.914 0.172 0.000 2.432 300 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 300 V C 0.401 176.390 176.094 -0.174 0.000 1.043 300 V CA 0.447 62.707 62.300 -0.066 0.000 0.925 300 V CB 1.126 32.835 31.823 -0.190 0.000 0.985 300 V HN 0.017 nan 8.190 nan 0.000 0.466 301 T N 6.094 120.563 114.554 -0.143 0.000 2.909 301 T HA 0.697 5.047 4.350 -0.000 0.000 0.299 301 T C -0.847 173.757 174.700 -0.161 0.000 1.073 301 T CA -0.295 61.720 62.100 -0.141 0.000 0.999 301 T CB 1.498 70.327 68.868 -0.066 0.000 1.098 301 T HN 0.395 nan 8.240 nan 0.000 0.477 302 I N 2.073 122.522 120.570 -0.202 0.000 2.569 302 I HA 0.664 4.833 4.170 -0.000 0.000 0.290 302 I C 0.583 176.606 176.117 -0.156 0.000 1.088 302 I CA -0.242 60.940 61.300 -0.197 0.000 1.047 302 I CB 1.865 39.667 38.000 -0.329 0.000 1.237 302 I HN 0.949 nan 8.210 nan 0.000 0.421 303 G N 5.284 114.027 108.800 -0.096 0.000 2.384 303 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.200 303 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.200 303 G C -1.098 173.775 174.900 -0.045 0.000 1.205 303 G CA -0.787 44.274 45.100 -0.064 0.000 1.116 303 G HN 0.588 nan 8.290 nan 0.000 0.547 304 E N -0.108 120.071 120.200 -0.034 0.000 2.113 304 E HA 0.565 4.915 4.350 -0.000 0.000 0.273 304 E C -0.497 176.088 176.600 -0.024 0.000 0.924 304 E CA -0.514 55.870 56.400 -0.026 0.000 0.764 304 E CB 1.454 31.141 29.700 -0.022 0.000 1.104 304 E HN 0.635 nan 8.360 nan 0.000 0.406 305 c N 3.071 121.660 118.600 -0.019 0.000 2.973 305 c HA 0.594 5.164 4.570 -0.000 0.000 0.329 305 c C -2.183 171.906 174.090 -0.001 0.000 1.327 305 c CA -1.442 54.883 56.329 -0.007 0.000 1.632 305 c CB 1.219 43.726 42.510 -0.005 0.000 2.098 305 c HN 0.643 nan 8.230 nan 0.000 0.469 306 P HA 0.344 nan 4.420 nan 0.000 0.276 306 P C -1.224 176.117 177.300 0.068 0.000 1.252 306 P CA -0.496 62.608 63.100 0.007 0.000 0.802 306 P CB 0.443 32.160 31.700 0.027 0.000 1.035 307 K N 1.662 122.106 120.400 0.074 0.000 2.378 307 K HA 0.061 4.381 4.320 -0.000 0.000 0.288 307 K C -0.806 175.962 176.600 0.280 0.000 1.057 307 K CA -0.137 56.259 56.287 0.182 0.000 0.971 307 K CB -0.981 31.647 32.500 0.213 0.000 0.975 307 K HN 0.304 nan 8.250 nan 0.000 0.475 308 Y N 4.838 125.207 120.300 0.116 0.000 2.712 308 Y HA 0.223 4.772 4.550 -0.000 0.000 0.333 308 Y C -0.037 175.908 175.900 0.075 0.000 1.225 308 Y CA 0.676 58.829 58.100 0.088 0.000 1.499 308 Y CB 0.329 38.815 38.460 0.043 0.000 1.288 308 Y HN 0.384 nan 8.280 nan 0.000 0.575 309 V N 4.232 123.671 119.914 -0.793 0.000 3.188 309 V HA 0.549 4.669 4.120 -0.000 0.000 0.305 309 V C 0.146 175.781 176.094 -0.765 0.000 1.232 309 V CA -1.237 60.680 62.300 -0.638 0.000 1.043 309 V CB 2.223 33.779 31.823 -0.444 0.000 1.068 309 V HN 0.768 nan 8.190 nan 0.000 0.439 310 R N 0.203 120.434 120.500 -0.448 0.000 2.276 310 R HA 0.263 4.603 4.340 -0.000 0.000 0.196 310 R C 0.846 177.019 176.300 -0.211 0.000 0.961 310 R CA 0.453 56.374 56.100 -0.298 0.000 1.024 310 R CB 0.163 30.370 30.300 -0.156 0.000 0.940 310 R HN 0.857 nan 8.270 nan 0.000 0.480 311 S N -0.472 115.089 115.700 -0.232 0.000 2.569 311 S HA -0.041 4.429 4.470 -0.000 0.000 0.274 311 S C 1.018 175.553 174.600 -0.108 0.000 1.353 311 S CA 0.135 58.237 58.200 -0.163 0.000 1.023 311 S CB 1.405 64.489 63.200 -0.194 0.000 0.876 311 S HN 0.089 nan 8.310 nan 0.000 0.540 312 T N 0.368 114.878 114.554 -0.074 0.000 2.969 312 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 312 T C 0.108 174.790 174.700 -0.030 0.000 1.021 312 T CA 0.172 62.248 62.100 -0.040 0.000 1.003 312 T CB 0.003 68.852 68.868 -0.033 0.000 1.040 312 T HN 0.618 nan 8.240 nan 0.000 0.492 313 K N 0.929 121.305 120.400 -0.041 0.000 2.571 313 K HA 0.482 4.802 4.320 -0.000 0.000 0.252 313 K C -2.203 174.375 176.600 -0.036 0.000 0.956 313 K CA -0.591 55.680 56.287 -0.026 0.000 0.822 313 K CB 1.186 33.674 32.500 -0.021 0.000 1.286 313 K HN 0.033 nan 8.250 nan 0.000 0.439 314 L N 4.628 125.843 121.223 -0.014 0.000 2.514 314 L HA 0.424 4.764 4.340 -0.000 0.000 0.257 314 L C -0.951 175.936 176.870 0.027 0.000 1.101 314 L CA -0.471 54.364 54.840 -0.007 0.000 0.911 314 L CB 1.509 43.565 42.059 -0.005 0.000 1.162 314 L HN 0.581 nan 8.230 nan 0.000 0.477 315 R N 3.129 123.639 120.500 0.017 0.000 2.393 315 R HA 0.578 4.918 4.340 -0.000 0.000 0.315 315 R C -0.839 175.476 176.300 0.026 0.000 0.952 315 R CA -0.484 55.631 56.100 0.025 0.000 0.842 315 R CB 1.701 32.010 30.300 0.016 0.000 1.163 315 R HN 0.434 nan 8.270 nan 0.000 0.450 316 M N 4.192 123.814 119.600 0.036 0.000 2.157 316 M HA 0.416 4.896 4.480 -0.000 0.000 0.354 316 M C -0.460 175.860 176.300 0.033 0.000 1.170 316 M CA -0.410 54.910 55.300 0.034 0.000 1.060 316 M CB 1.410 34.035 32.600 0.041 0.000 1.615 316 M HN 0.823 nan 8.290 nan 0.000 0.460 317 A N 3.467 126.304 122.820 0.028 0.000 2.531 317 A HA 0.338 4.658 4.320 -0.000 0.000 0.236 317 A C 0.799 178.405 177.584 0.037 0.000 1.062 317 A CA 0.446 52.503 52.037 0.033 0.000 0.760 317 A CB -0.098 18.915 19.000 0.022 0.000 0.995 317 A HN 1.001 nan 8.150 nan 0.000 0.501 318 T N 0.269 114.856 114.554 0.055 0.000 3.176 318 T HA 0.374 4.724 4.350 -0.000 0.000 0.259 318 T C 1.208 175.936 174.700 0.046 0.000 0.978 318 T CA 0.638 62.764 62.100 0.044 0.000 1.050 318 T CB -0.669 68.229 68.868 0.051 0.000 1.136 318 T HN 1.067 nan 8.240 nan 0.000 0.465 319 G N 2.420 111.289 108.800 0.116 0.000 2.485 319 G HA2 0.560 4.520 3.960 -0.000 0.000 0.260 319 G HA3 0.560 4.520 3.960 -0.000 0.000 0.260 319 G C -0.281 174.676 174.900 0.095 0.000 1.459 319 G CA -0.285 44.907 45.100 0.152 0.000 1.060 319 G HN 0.680 nan 8.290 nan 0.000 0.546 320 L N -3.008 118.282 121.223 0.111 0.000 2.260 320 L HA 0.719 5.059 4.340 -0.000 0.000 0.265 320 L C 0.588 177.465 176.870 0.012 0.000 1.015 320 L CA -1.515 53.339 54.840 0.022 0.000 0.826 320 L CB 1.043 43.082 42.059 -0.034 0.000 1.373 320 L HN 0.506 nan 8.230 nan 0.000 0.450 321 R N 1.343 121.811 120.500 -0.052 0.000 2.458 321 R HA 0.054 4.394 4.340 -0.000 0.000 0.303 321 R C -0.465 175.825 176.300 -0.016 0.000 1.013 321 R CA -0.029 56.047 56.100 -0.041 0.000 1.026 321 R CB -0.024 30.236 30.300 -0.066 0.000 0.948 321 R HN 0.777 nan 8.270 nan 0.000 0.417 322 N N 5.522 124.226 118.700 0.006 0.000 2.415 322 N HA 0.082 4.821 4.740 -0.000 0.000 0.250 322 N C -0.796 174.727 175.510 0.023 0.000 1.127 322 N CA -0.106 52.952 53.050 0.012 0.000 0.945 322 N CB 0.337 38.816 38.487 -0.015 0.000 1.196 322 N HN 0.558 nan 8.380 nan 0.000 0.499 323 I N 5.850 126.462 120.570 0.069 0.000 2.578 323 I HA 0.224 4.394 4.170 -0.000 0.000 0.284 323 I C -1.219 174.926 176.117 0.047 0.000 1.156 323 I CA -1.440 59.910 61.300 0.083 0.000 1.165 323 I CB 1.018 39.128 38.000 0.184 0.000 1.567 323 I HN 0.436 nan 8.210 nan 0.000 0.546 324 P HA -0.009 nan 4.420 nan 0.000 0.215 324 P C 0.722 178.014 177.300 -0.012 0.000 1.160 324 P CA 0.609 63.700 63.100 -0.015 0.000 0.869 324 P CB -0.047 31.639 31.700 -0.024 0.000 0.782 325 S N 0.000 115.697 115.700 -0.005 0.000 2.498 325 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 325 S CA 0.000 58.197 58.200 -0.006 0.000 1.107 325 S CB 0.000 63.200 63.200 0.000 0.000 0.593 325 S HN 0.000 nan 8.310 nan 0.000 0.517