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 2o4m_1_C DATA FIRST_RESID 34 DATA SEQUENCE GDRINTVRGP ITISEAGFTL THEHICGSSA GFLRAWPEFF GSRKALAEKA DATA SEQUENCE VRGLRRARAA GVRTIVDVST FDGGRDVSLL AEVSRAADVH IVAATGLWGD DATA SEQUENCE PPLSMRLRSV EELTQFFLRE IQYGIEDTGI RAGIIXVATT GKATPFQELV DATA SEQUENCE LKAAARASLA TGVPVTTHTA ASQRDGEQQA AIFESEGLSP SRVCIGHSDD DATA SEQUENCE TDDLSYLTAL AARGYLIGLD HIPYSAIGLE DNASASALLG IRSWQTRALL DATA SEQUENCE IKALIDQGYM KQILVSNDWL FGFSSYVTNI MDVMDRVNPD GMAFIPLRVI DATA SEQUENCE PFLREKGVPQ ETLAGITVTN PARFLSPTLR A 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 34 G C 0.000 174.877 174.900 -0.039 0.000 0.946 34 G CA 0.000 45.074 45.100 -0.043 0.000 0.502 35 D N -0.721 119.656 120.400 -0.038 0.000 2.525 35 D HA 0.179 4.819 4.640 -0.000 0.000 0.231 35 D C 0.443 176.719 176.300 -0.042 0.000 1.216 35 D CA -0.166 53.813 54.000 -0.035 0.000 0.813 35 D CB 0.873 41.656 40.800 -0.028 0.000 1.108 35 D HN 0.150 nan 8.370 nan 0.000 0.524 36 R N 0.499 120.969 120.500 -0.049 0.000 2.686 36 R HA 0.579 4.918 4.340 -0.000 0.000 0.283 36 R C -0.715 175.544 176.300 -0.068 0.000 0.978 36 R CA -0.656 55.410 56.100 -0.058 0.000 0.897 36 R CB 2.065 32.333 30.300 -0.053 0.000 1.192 36 R HN 0.042 nan 8.270 nan 0.000 0.457 37 I N 2.332 122.854 120.570 -0.080 0.000 2.404 37 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 37 I C 0.005 176.069 176.117 -0.087 0.000 0.992 37 I CA -0.910 60.338 61.300 -0.087 0.000 1.149 37 I CB 1.464 39.409 38.000 -0.091 0.000 1.315 37 I HN 0.228 nan 8.210 nan 0.000 0.446 38 N N 4.487 123.140 118.700 -0.078 0.000 2.447 38 N HA 0.104 4.844 4.740 -0.000 0.000 0.263 38 N C -0.032 175.441 175.510 -0.062 0.000 1.226 38 N CA 0.203 53.213 53.050 -0.067 0.000 0.906 38 N CB 0.739 39.188 38.487 -0.063 0.000 1.060 38 N HN 0.714 nan 8.380 nan 0.000 0.468 39 T N -3.187 111.337 114.554 -0.051 0.000 2.858 39 T HA 0.358 4.708 4.350 -0.000 0.000 0.285 39 T C 1.219 175.914 174.700 -0.009 0.000 1.052 39 T CA -0.718 61.367 62.100 -0.026 0.000 1.009 39 T CB 0.704 69.561 68.868 -0.018 0.000 1.241 39 T HN 0.116 nan 8.240 nan 0.000 0.542 40 V N -0.943 118.978 119.914 0.011 0.000 3.141 40 V HA 0.238 4.358 4.120 -0.000 0.000 0.265 40 V C 1.688 177.791 176.094 0.015 0.000 1.126 40 V CA 0.749 63.057 62.300 0.013 0.000 1.141 40 V CB -1.234 30.602 31.823 0.022 0.000 0.743 40 V HN 0.815 nan 8.190 nan 0.000 0.492 41 R N 0.840 121.353 120.500 0.022 0.000 2.432 41 R HA 0.554 4.894 4.340 -0.000 0.000 0.260 41 R C 0.912 177.215 176.300 0.004 0.000 0.935 41 R CA 0.488 56.601 56.100 0.021 0.000 1.080 41 R CB 0.785 31.112 30.300 0.046 0.000 1.155 41 R HN 0.718 nan 8.270 nan 0.000 0.531 42 G N 1.755 110.548 108.800 -0.011 0.000 2.422 42 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.607 42 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.607 42 G C -3.013 171.861 174.900 -0.043 0.000 1.270 42 G CA -1.237 43.847 45.100 -0.027 0.000 0.992 42 G HN -0.094 nan 8.290 nan 0.000 0.499 43 P HA 0.525 nan 4.420 nan 0.000 0.280 43 P C 0.007 177.258 177.300 -0.082 0.000 1.244 43 P CA -0.074 62.987 63.100 -0.064 0.000 0.784 43 P CB 0.947 32.615 31.700 -0.053 0.000 0.913 44 I N -0.396 120.103 120.570 -0.119 0.000 2.693 44 I HA 0.576 4.746 4.170 -0.000 0.000 0.303 44 I C 0.241 176.293 176.117 -0.108 0.000 1.025 44 I CA -0.976 60.235 61.300 -0.148 0.000 1.086 44 I CB 2.187 39.998 38.000 -0.313 0.000 1.268 44 I HN 0.224 nan 8.210 nan 0.000 0.440 45 T N 1.960 116.465 114.554 -0.082 0.000 2.898 45 T HA 0.226 4.576 4.350 -0.000 0.000 0.301 45 T C 1.438 176.104 174.700 -0.057 0.000 1.049 45 T CA -0.660 61.407 62.100 -0.055 0.000 1.095 45 T CB 0.880 69.729 68.868 -0.033 0.000 0.976 45 T HN 0.516 nan 8.240 nan 0.000 0.539 46 I N 1.861 122.406 120.570 -0.041 0.000 2.145 46 I HA -0.206 3.963 4.170 -0.000 0.000 0.244 46 I C 2.809 178.917 176.117 -0.015 0.000 1.075 46 I CA 2.141 63.422 61.300 -0.030 0.000 1.332 46 I CB -2.127 35.859 38.000 -0.022 0.000 1.033 46 I HN 0.932 nan 8.210 nan 0.000 0.410 47 S N 0.390 116.085 115.700 -0.007 0.000 2.447 47 S HA -0.208 4.262 4.470 -0.000 0.000 0.233 47 S C 1.876 176.491 174.600 0.025 0.000 1.006 47 S CA 1.391 59.597 58.200 0.010 0.000 0.957 47 S CB -0.219 62.987 63.200 0.010 0.000 0.773 47 S HN 0.463 nan 8.310 nan 0.000 0.507 48 E N 1.197 121.402 120.200 0.009 0.000 2.274 48 E HA 0.181 4.531 4.350 -0.000 0.000 0.194 48 E C 1.878 178.522 176.600 0.072 0.000 0.996 48 E CA 0.983 57.403 56.400 0.034 0.000 0.840 48 E CB -0.619 29.064 29.700 -0.029 0.000 0.772 48 E HN 0.599 nan 8.360 nan 0.000 0.491 49 A N 0.440 123.271 122.820 0.020 0.000 1.902 49 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 49 A C 1.749 179.428 177.584 0.157 0.000 1.181 49 A CA 1.484 53.562 52.037 0.069 0.000 0.623 49 A CB -1.333 17.680 19.000 0.023 0.000 0.818 49 A HN 0.517 nan 8.150 nan 0.000 0.443 50 G N -1.347 107.524 108.800 0.119 0.000 2.578 50 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.275 50 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.275 50 G C 0.033 175.040 174.900 0.178 0.000 1.271 50 G CA 0.119 45.305 45.100 0.143 0.000 0.941 50 G HN 1.197 nan 8.290 nan 0.000 0.564 51 F N 2.477 122.456 119.950 0.048 0.000 2.541 51 F HA 0.523 5.050 4.527 -0.000 0.000 0.378 51 F C 0.769 176.601 175.800 0.053 0.000 1.068 51 F CA 0.792 58.816 58.000 0.041 0.000 1.199 51 F CB 0.563 39.580 39.000 0.028 0.000 1.091 51 F HN 0.460 nan 8.300 nan 0.000 0.555 52 T N 7.838 122.443 114.554 0.085 0.000 2.879 52 T HA 0.428 4.777 4.350 -0.000 0.000 0.290 52 T C -0.463 174.291 174.700 0.089 0.000 0.993 52 T CA -0.629 61.558 62.100 0.144 0.000 0.975 52 T CB 1.094 70.010 68.868 0.079 0.000 0.981 52 T HN 0.404 nan 8.240 nan 0.000 0.439 53 L N 3.490 124.823 121.223 0.184 0.000 2.281 53 L HA 0.326 4.665 4.340 -0.000 0.000 0.285 53 L C 1.673 178.605 176.870 0.104 0.000 1.074 53 L CA -0.439 54.491 54.840 0.150 0.000 0.817 53 L CB 1.004 43.177 42.059 0.190 0.000 1.168 53 L HN 0.857 nan 8.230 nan 0.000 0.434 54 T N -2.123 112.482 114.554 0.086 0.000 3.086 54 T HA 0.022 4.372 4.350 -0.000 0.000 0.250 54 T C 0.411 175.172 174.700 0.102 0.000 1.074 54 T CA 0.165 62.318 62.100 0.088 0.000 0.988 54 T CB -0.236 68.672 68.868 0.067 0.000 0.988 54 T HN 0.614 nan 8.240 nan 0.000 0.530 55 H N 0.691 119.753 119.070 -0.013 0.000 2.974 55 H HA 0.470 5.026 4.556 -0.000 0.000 0.285 55 H C -1.081 174.188 175.328 -0.099 0.000 1.227 55 H CA -0.526 55.481 56.048 -0.068 0.000 1.569 55 H CB 0.555 30.291 29.762 -0.043 0.000 1.648 55 H HN 0.023 nan 8.280 nan 0.000 0.521 56 E N 2.324 122.433 120.200 -0.151 0.000 2.450 56 E HA 0.384 4.734 4.350 -0.000 0.000 0.272 56 E C -0.883 175.385 176.600 -0.553 0.000 0.967 56 E CA -0.909 55.404 56.400 -0.146 0.000 0.818 56 E CB 2.063 31.758 29.700 -0.008 0.000 1.401 56 E HN 0.599 nan 8.360 nan 0.000 0.450 57 H N 0.591 119.598 119.070 -0.106 0.000 2.947 57 H HA 0.274 4.830 4.556 -0.000 0.000 0.354 57 H C 0.919 176.170 175.328 -0.128 0.000 1.085 57 H CA -0.494 55.455 56.048 -0.165 0.000 1.253 57 H CB 1.688 31.283 29.762 -0.278 0.000 1.757 57 H HN 0.267 nan 8.280 nan 0.000 0.523 58 I N 0.628 121.249 120.570 0.084 0.000 2.233 58 I HA -0.107 4.063 4.170 -0.000 0.000 0.243 58 I C 1.243 177.424 176.117 0.106 0.000 1.093 58 I CA 1.185 62.603 61.300 0.196 0.000 1.380 58 I CB -0.073 38.030 38.000 0.171 0.000 1.067 58 I HN 0.357 nan 8.210 nan 0.000 0.413 59 C N 1.180 120.482 119.300 0.003 0.000 2.607 59 C HA 0.704 5.164 4.460 -0.000 0.000 0.350 59 C C 0.383 175.302 174.990 -0.119 0.000 1.101 59 C CA -0.662 58.310 59.018 -0.077 0.000 1.282 59 C CB 0.296 27.934 27.740 -0.170 0.000 1.825 59 C HN 0.524 nan 8.230 nan 0.000 0.460 60 G N 4.206 112.889 108.800 -0.195 0.000 2.393 60 G HA2 0.525 4.485 3.960 -0.000 0.000 0.311 60 G HA3 0.525 4.485 3.960 -0.000 0.000 0.311 60 G C -0.039 174.846 174.900 -0.025 0.000 1.067 60 G CA 0.367 45.277 45.100 -0.317 0.000 1.000 60 G HN 1.029 nan 8.290 nan 0.000 0.422 61 S N 1.199 116.847 115.700 -0.088 0.000 3.642 61 S HA 0.832 5.302 4.470 -0.000 0.000 0.312 61 S C -0.273 174.283 174.600 -0.073 0.000 1.117 61 S CA -0.402 57.783 58.200 -0.025 0.000 1.104 61 S CB 1.186 64.470 63.200 0.140 0.000 1.397 61 S HN 0.564 nan 8.310 nan 0.000 0.756 62 S N 0.536 116.205 115.700 -0.051 0.000 2.569 62 S HA 0.767 5.237 4.470 -0.000 0.000 0.280 62 S C -0.724 173.872 174.600 -0.007 0.000 1.111 62 S CA -0.250 57.932 58.200 -0.030 0.000 0.887 62 S CB 1.494 64.655 63.200 -0.064 0.000 1.095 62 S HN 1.060 nan 8.310 nan 0.000 0.476 63 A N 0.800 123.522 122.820 -0.163 0.000 2.566 63 A HA 0.470 4.789 4.320 -0.000 0.000 0.245 63 A C 1.546 179.113 177.584 -0.029 0.000 1.056 63 A CA 0.811 52.680 52.037 -0.281 0.000 0.757 63 A CB -1.232 17.285 19.000 -0.805 0.000 0.979 63 A HN 2.038 nan 8.150 nan 0.000 0.508 64 G N 1.409 110.235 108.800 0.043 0.000 2.253 64 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.251 64 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.251 64 G C 0.880 175.886 174.900 0.177 0.000 0.998 64 G CA 1.012 46.176 45.100 0.107 0.000 0.621 64 G HN 1.306 nan 8.290 nan 0.000 0.524 65 F N 0.939 120.935 119.950 0.076 0.000 2.128 65 F HA 0.262 4.789 4.527 -0.000 0.000 0.295 65 F C 2.433 178.374 175.800 0.235 0.000 1.100 65 F CA 2.015 60.100 58.000 0.142 0.000 1.260 65 F CB -0.240 38.819 39.000 0.098 0.000 1.009 65 F HN 0.204 nan 8.300 nan 0.000 0.476 66 L N 1.172 122.643 121.223 0.412 0.000 2.081 66 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 66 L C 2.333 179.299 176.870 0.161 0.000 1.080 66 L CA 1.836 56.861 54.840 0.308 0.000 0.754 66 L CB -0.791 41.346 42.059 0.129 0.000 0.893 66 L HN 0.099 nan 8.230 nan 0.000 0.433 67 R N -1.014 119.556 120.500 0.117 0.000 2.115 67 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 67 R C 2.141 178.480 176.300 0.065 0.000 1.100 67 R CA 1.065 57.216 56.100 0.084 0.000 0.980 67 R CB -0.418 29.927 30.300 0.076 0.000 0.875 67 R HN 0.510 nan 8.270 nan 0.000 0.445 68 A N -0.495 122.348 122.820 0.039 0.000 1.975 68 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 68 A C 0.595 178.191 177.584 0.020 0.000 1.170 68 A CA 0.439 52.478 52.037 0.003 0.000 0.656 68 A CB 0.096 19.086 19.000 -0.017 0.000 0.821 68 A HN 0.452 nan 8.150 nan 0.000 0.449 69 W N 0.962 122.086 121.300 -0.293 0.000 1.290 69 W HA 0.374 5.034 4.660 0.000 0.000 0.304 69 W C -2.605 173.839 176.519 -0.125 0.000 0.858 69 W CA -2.167 54.986 57.345 -0.319 0.000 1.894 69 W CB 0.991 30.049 29.460 -0.670 0.000 1.934 69 W HN 0.148 nan 8.180 nan 0.000 0.472 70 P HA -0.160 nan 4.420 nan 0.000 0.226 70 P C 0.730 178.188 177.300 0.263 0.000 1.153 70 P CA 1.567 64.847 63.100 0.299 0.000 0.777 70 P CB 0.502 32.322 31.700 0.200 0.000 0.794 71 E N -0.974 119.349 120.200 0.205 0.000 2.347 71 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 71 E C 1.538 178.089 176.600 -0.082 0.000 1.008 71 E CA 0.391 56.867 56.400 0.126 0.000 0.852 71 E CB -1.139 28.688 29.700 0.212 0.000 0.783 71 E HN 0.203 nan 8.360 nan 0.000 0.505 72 F N -0.030 119.573 119.950 -0.578 0.000 2.202 72 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 72 F C 0.787 176.188 175.800 -0.665 0.000 1.082 72 F CA 1.130 58.583 58.000 -0.913 0.000 1.313 72 F CB 0.075 38.222 39.000 -1.421 0.000 1.024 72 F HN -0.027 nan 8.300 nan 0.000 0.495 73 F N -0.144 119.787 119.950 -0.031 0.000 2.668 73 F HA 0.396 4.923 4.527 -0.000 0.000 0.297 73 F C 1.606 177.384 175.800 -0.037 0.000 1.124 73 F CA 0.285 58.277 58.000 -0.013 0.000 1.353 73 F CB 0.016 39.081 39.000 0.109 0.000 0.992 73 F HN 0.131 nan 8.300 nan 0.000 0.524 74 G N 0.747 109.564 108.800 0.028 0.000 4.148 74 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.221 74 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.221 74 G C 0.363 175.314 174.900 0.084 0.000 1.373 74 G CA 0.383 45.506 45.100 0.037 0.000 0.940 74 G HN 0.892 nan 8.290 nan 0.000 0.610 75 S N -1.479 114.296 115.700 0.125 0.000 2.611 75 S HA 0.691 5.161 4.470 -0.000 0.000 0.268 75 S C 0.391 175.070 174.600 0.132 0.000 1.156 75 S CA 0.563 58.837 58.200 0.123 0.000 0.817 75 S CB 1.691 64.938 63.200 0.079 0.000 1.122 75 S HN 0.803 nan 8.310 nan 0.000 0.466 76 R N 0.993 121.558 120.500 0.109 0.000 2.081 76 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 76 R C 2.097 178.417 176.300 0.033 0.000 1.131 76 R CA 1.851 57.989 56.100 0.064 0.000 0.960 76 R CB -0.524 29.809 30.300 0.054 0.000 0.856 76 R HN 0.788 nan 8.270 nan 0.000 0.436 77 K N -0.152 120.270 120.400 0.036 0.000 2.103 77 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 77 K C 1.852 178.461 176.600 0.014 0.000 1.048 77 K CA 1.494 57.792 56.287 0.019 0.000 0.930 77 K CB -0.124 32.388 32.500 0.020 0.000 0.716 77 K HN 0.265 nan 8.250 nan 0.000 0.444 78 A N 0.937 123.777 122.820 0.032 0.000 1.898 78 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 78 A C 2.009 179.610 177.584 0.028 0.000 1.181 78 A CA 1.188 53.245 52.037 0.033 0.000 0.620 78 A CB -0.551 18.481 19.000 0.053 0.000 0.819 78 A HN 0.379 nan 8.150 nan 0.000 0.442 79 L N -0.140 121.106 121.223 0.038 0.000 2.046 79 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 79 L C 2.630 179.477 176.870 -0.039 0.000 1.077 79 L CA 2.218 57.066 54.840 0.012 0.000 0.747 79 L CB -0.781 41.247 42.059 -0.052 0.000 0.896 79 L HN 0.327 nan 8.230 nan 0.000 0.432 80 A N -0.677 122.117 122.820 -0.044 0.000 1.902 80 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 80 A C 2.158 179.685 177.584 -0.095 0.000 1.181 80 A CA 1.873 53.870 52.037 -0.066 0.000 0.623 80 A CB -0.694 18.282 19.000 -0.040 0.000 0.818 80 A HN 0.617 nan 8.150 nan 0.000 0.443 81 E N -0.525 119.635 120.200 -0.067 0.000 2.110 81 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 81 E C 2.084 178.614 176.600 -0.116 0.000 0.988 81 E CA 1.387 57.742 56.400 -0.074 0.000 0.804 81 E CB -0.113 29.564 29.700 -0.039 0.000 0.745 81 E HN 0.687 nan 8.360 nan 0.000 0.458 82 K N 0.818 121.151 120.400 -0.112 0.000 2.057 82 K HA -0.100 4.219 4.320 -0.000 0.000 0.206 82 K C 2.175 178.502 176.600 -0.454 0.000 1.050 82 K CA 1.071 57.272 56.287 -0.143 0.000 0.935 82 K CB -0.089 32.406 32.500 -0.009 0.000 0.715 82 K HN 0.083 nan 8.250 nan 0.000 0.439 83 A N 0.825 123.283 122.820 -0.602 0.000 1.883 83 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 83 A C 2.242 179.389 177.584 -0.728 0.000 1.186 83 A CA 1.777 53.115 52.037 -1.164 0.000 0.624 83 A CB -0.741 17.960 19.000 -0.497 0.000 0.822 83 A HN 0.185 nan 8.150 nan 0.000 0.444 84 V N 0.053 119.749 119.914 -0.363 0.000 2.343 84 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 84 V C 2.634 178.613 176.094 -0.192 0.000 1.051 84 V CA 2.175 64.346 62.300 -0.216 0.000 1.036 84 V CB -0.853 30.892 31.823 -0.130 0.000 0.654 84 V HN 0.523 nan 8.190 nan 0.000 0.451 85 R N 0.177 120.561 120.500 -0.193 0.000 2.080 85 R HA -0.149 4.191 4.340 -0.000 0.000 0.236 85 R C 2.511 178.746 176.300 -0.108 0.000 1.137 85 R CA 1.719 57.745 56.100 -0.123 0.000 0.943 85 R CB -1.018 29.232 30.300 -0.083 0.000 0.846 85 R HN 0.585 nan 8.270 nan 0.000 0.431 86 G N 1.178 109.863 108.800 -0.193 0.000 2.421 86 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 86 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 86 G C 1.488 176.432 174.900 0.075 0.000 1.171 86 G CA 0.529 45.651 45.100 0.037 0.000 0.775 86 G HN 0.124 nan 8.290 nan 0.000 0.543 87 L N -0.351 120.850 121.223 -0.035 0.000 2.083 87 L HA -0.015 4.324 4.340 -0.000 0.000 0.209 87 L C 3.142 180.010 176.870 -0.004 0.000 1.083 87 L CA 0.902 55.766 54.840 0.039 0.000 0.752 87 L CB -0.291 41.765 42.059 -0.004 0.000 0.899 87 L HN 0.134 nan 8.230 nan 0.000 0.433 88 R N -0.349 120.127 120.500 -0.041 0.000 2.115 88 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 88 R C 2.401 178.682 176.300 -0.032 0.000 1.111 88 R CA 1.025 57.100 56.100 -0.041 0.000 0.976 88 R CB -0.159 30.111 30.300 -0.050 0.000 0.870 88 R HN 0.352 nan 8.270 nan 0.000 0.445 89 R N -0.070 120.420 120.500 -0.018 0.000 2.093 89 R HA 0.029 4.369 4.340 -0.000 0.000 0.224 89 R C 2.260 178.544 176.300 -0.027 0.000 1.101 89 R CA 1.049 57.138 56.100 -0.018 0.000 0.979 89 R CB -0.155 30.144 30.300 -0.001 0.000 0.877 89 R HN 0.159 nan 8.270 nan 0.000 0.441 90 A N 1.312 124.130 122.820 -0.002 0.000 1.898 90 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 90 A C 2.120 179.661 177.584 -0.072 0.000 1.181 90 A CA 1.284 53.307 52.037 -0.022 0.000 0.620 90 A CB -0.432 18.594 19.000 0.043 0.000 0.819 90 A HN 0.214 nan 8.150 nan 0.000 0.442 91 R N -0.273 120.194 120.500 -0.055 0.000 2.073 91 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 91 R C 2.279 178.525 176.300 -0.089 0.000 1.134 91 R CA 1.553 57.608 56.100 -0.075 0.000 0.952 91 R CB -0.461 29.802 30.300 -0.061 0.000 0.850 91 R HN 0.417 nan 8.270 nan 0.000 0.433 92 A N 0.632 123.407 122.820 -0.074 0.000 1.940 92 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 92 A C 2.255 179.779 177.584 -0.099 0.000 1.176 92 A CA 1.814 53.807 52.037 -0.074 0.000 0.631 92 A CB -0.727 18.238 19.000 -0.058 0.000 0.814 92 A HN 0.555 nan 8.150 nan 0.000 0.446 93 A N -2.393 120.352 122.820 -0.126 0.000 2.206 93 A HA 0.405 4.724 4.320 -0.000 0.000 0.211 93 A C 1.740 179.165 177.584 -0.266 0.000 1.158 93 A CA 1.378 53.311 52.037 -0.172 0.000 0.761 93 A CB -0.629 18.266 19.000 -0.176 0.000 0.801 93 A HN 1.852 nan 8.150 nan 0.000 0.473 94 G N -2.139 106.503 108.800 -0.264 0.000 2.205 94 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.180 94 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.180 94 G C 0.093 174.740 174.900 -0.422 0.000 1.004 94 G CA -0.128 44.778 45.100 -0.324 0.000 0.670 94 G HN 0.664 nan 8.290 nan 0.000 0.496 95 V N 1.208 120.895 119.914 -0.378 0.000 2.529 95 V HA 0.336 4.455 4.120 -0.000 0.000 0.292 95 V C 1.619 177.696 176.094 -0.028 0.000 1.028 95 V CA 1.189 63.385 62.300 -0.174 0.000 1.074 95 V CB 1.296 33.084 31.823 -0.059 0.000 0.958 95 V HN 0.443 nan 8.190 nan 0.000 0.481 96 R N 2.451 123.005 120.500 0.089 0.000 2.195 96 R HA 0.167 4.507 4.340 -0.000 0.000 0.197 96 R C 0.151 176.490 176.300 0.064 0.000 0.990 96 R CA 0.601 56.729 56.100 0.047 0.000 1.048 96 R CB 0.607 30.982 30.300 0.125 0.000 0.997 96 R HN 0.793 nan 8.270 nan 0.000 0.502 97 T N 1.266 115.927 114.554 0.178 0.000 2.952 97 T HA 0.413 4.762 4.350 -0.000 0.000 0.305 97 T C -0.737 174.063 174.700 0.166 0.000 1.064 97 T CA -0.679 61.546 62.100 0.208 0.000 1.008 97 T CB 2.067 71.086 68.868 0.252 0.000 1.078 97 T HN 0.253 nan 8.240 nan 0.000 0.459 98 I N -0.732 119.918 120.570 0.133 0.000 2.693 98 I HA 0.891 5.061 4.170 -0.000 0.000 0.303 98 I C -1.076 175.080 176.117 0.065 0.000 1.025 98 I CA -1.308 60.056 61.300 0.105 0.000 1.086 98 I CB 1.879 39.941 38.000 0.103 0.000 1.268 98 I HN 0.279 nan 8.210 nan 0.000 0.440 99 V N 3.673 123.606 119.914 0.032 0.000 2.328 99 V HA 0.235 4.354 4.120 -0.000 0.000 0.278 99 V C -0.393 175.638 176.094 -0.105 0.000 1.021 99 V CA -0.249 62.040 62.300 -0.020 0.000 0.838 99 V CB 0.872 32.694 31.823 -0.002 0.000 0.999 99 V HN 0.738 nan 8.190 nan 0.000 0.447 100 D N 4.480 124.815 120.400 -0.109 0.000 2.365 100 D HA 0.122 4.762 4.640 -0.000 0.000 0.237 100 D C 0.766 176.915 176.300 -0.252 0.000 1.190 100 D CA -0.248 53.638 54.000 -0.190 0.000 0.867 100 D CB 1.823 42.571 40.800 -0.088 0.000 1.050 100 D HN 0.449 nan 8.370 nan 0.000 0.491 101 V N 1.569 121.203 119.914 -0.467 0.000 3.415 101 V HA 0.238 4.358 4.120 -0.000 0.000 0.325 101 V C 0.504 176.441 176.094 -0.262 0.000 1.313 101 V CA -0.609 61.453 62.300 -0.396 0.000 1.228 101 V CB -0.791 30.680 31.823 -0.587 0.000 1.131 101 V HN 0.272 nan 8.190 nan 0.000 0.433 102 S N 2.683 118.286 115.700 -0.161 0.000 2.510 102 S HA 0.429 4.898 4.470 -0.000 0.000 0.279 102 S C 0.840 175.422 174.600 -0.030 0.000 1.284 102 S CA 0.251 58.417 58.200 -0.056 0.000 1.059 102 S CB 0.830 64.028 63.200 -0.005 0.000 0.901 102 S HN 0.892 nan 8.310 nan 0.000 0.491 103 T N 0.543 115.103 114.554 0.011 0.000 2.884 103 T HA 0.426 4.775 4.350 -0.000 0.000 0.277 103 T C 0.991 175.818 174.700 0.212 0.000 0.976 103 T CA -0.826 61.360 62.100 0.143 0.000 0.956 103 T CB 0.171 69.185 68.868 0.243 0.000 1.113 103 T HN 0.366 nan 8.240 nan 0.000 0.554 104 F N 2.191 122.266 119.950 0.208 0.000 2.045 104 F HA -0.274 4.253 4.527 -0.000 0.000 0.297 104 F C 2.161 178.087 175.800 0.210 0.000 1.114 104 F CA 2.718 60.865 58.000 0.246 0.000 1.207 104 F CB -0.522 38.709 39.000 0.385 0.000 0.964 104 F HN 0.782 nan 8.300 nan 0.000 0.486 105 D N -1.008 119.514 120.400 0.203 0.000 2.317 105 D HA -0.031 4.609 4.640 -0.000 0.000 0.211 105 D C 1.982 178.382 176.300 0.167 0.000 0.966 105 D CA 1.056 55.112 54.000 0.093 0.000 0.876 105 D CB -1.178 39.820 40.800 0.330 0.000 0.927 105 D HN 0.421 nan 8.370 nan 0.000 0.519 106 G N -0.269 108.598 108.800 0.113 0.000 3.262 106 G HA2 0.324 4.284 3.960 -0.000 0.000 0.228 106 G HA3 0.324 4.284 3.960 -0.000 0.000 0.228 106 G C 1.206 176.010 174.900 -0.161 0.000 1.197 106 G CA -0.003 44.987 45.100 -0.183 0.000 0.819 106 G HN 0.559 nan 8.290 nan 0.000 0.531 107 G N 0.080 108.826 108.800 -0.089 0.000 2.143 107 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 107 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 107 G C 0.571 175.457 174.900 -0.022 0.000 0.991 107 G CA 0.240 45.309 45.100 -0.052 0.000 0.689 107 G HN 0.792 nan 8.290 nan 0.000 0.522 108 R N 0.636 121.130 120.500 -0.010 0.000 2.523 108 R HA 0.177 4.516 4.340 -0.000 0.000 0.281 108 R C -1.044 175.284 176.300 0.046 0.000 0.969 108 R CA 0.739 56.853 56.100 0.023 0.000 1.093 108 R CB 0.244 30.578 30.300 0.056 0.000 0.917 108 R HN 0.135 nan 8.270 nan 0.000 0.408 109 D N 4.994 125.415 120.400 0.035 0.000 2.446 109 D HA 0.044 4.683 4.640 -0.000 0.000 0.251 109 D C 0.408 176.733 176.300 0.043 0.000 1.137 109 D CA -0.369 53.659 54.000 0.046 0.000 0.890 109 D CB 1.728 42.544 40.800 0.028 0.000 1.071 109 D HN 0.358 nan 8.370 nan 0.000 0.528 110 V N 3.360 123.308 119.914 0.058 0.000 2.970 110 V HA -0.122 3.997 4.120 -0.000 0.000 0.260 110 V C 1.768 177.884 176.094 0.038 0.000 1.100 110 V CA 1.662 63.990 62.300 0.047 0.000 1.122 110 V CB 0.008 31.865 31.823 0.057 0.000 0.721 110 V HN 0.475 nan 8.190 nan 0.000 0.483 111 S N 0.197 115.921 115.700 0.041 0.000 2.368 111 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 111 S C 1.739 176.353 174.600 0.022 0.000 1.029 111 S CA 1.663 59.883 58.200 0.032 0.000 0.988 111 S CB -0.332 62.891 63.200 0.037 0.000 0.838 111 S HN 0.523 nan 8.310 nan 0.000 0.462 112 L N 1.541 122.775 121.223 0.019 0.000 2.046 112 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 112 L C 1.843 178.719 176.870 0.010 0.000 1.077 112 L CA 1.481 56.325 54.840 0.006 0.000 0.747 112 L CB -0.697 41.358 42.059 -0.007 0.000 0.896 112 L HN 0.151 nan 8.230 nan 0.000 0.432 113 L N -0.091 121.143 121.223 0.019 0.000 2.012 113 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 113 L C 2.696 179.579 176.870 0.022 0.000 1.073 113 L CA 2.096 56.951 54.840 0.025 0.000 0.748 113 L CB -1.622 40.453 42.059 0.026 0.000 0.891 113 L HN 0.356 nan 8.230 nan 0.000 0.431 114 A N -1.093 121.739 122.820 0.020 0.000 1.930 114 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 114 A C 2.352 179.944 177.584 0.012 0.000 1.175 114 A CA 1.609 53.657 52.037 0.019 0.000 0.627 114 A CB -0.552 18.459 19.000 0.018 0.000 0.815 114 A HN 0.505 nan 8.150 nan 0.000 0.443 115 E N 0.221 120.425 120.200 0.008 0.000 2.051 115 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 115 E C 1.943 178.538 176.600 -0.009 0.000 0.991 115 E CA 2.053 58.453 56.400 -0.000 0.000 0.799 115 E CB -0.193 29.506 29.700 -0.002 0.000 0.748 115 E HN 0.537 nan 8.360 nan 0.000 0.449 116 V N -1.346 118.561 119.914 -0.011 0.000 2.591 116 V HA -0.080 4.040 4.120 -0.000 0.000 0.249 116 V C 2.318 178.402 176.094 -0.017 0.000 1.053 116 V CA 1.669 63.953 62.300 -0.027 0.000 1.068 116 V CB -0.339 31.457 31.823 -0.044 0.000 0.689 116 V HN 0.219 nan 8.190 nan 0.000 0.462 117 S N 0.610 116.313 115.700 0.004 0.000 2.368 117 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 117 S C 2.250 176.848 174.600 -0.002 0.000 1.030 117 S CA 1.990 60.197 58.200 0.011 0.000 0.999 117 S CB -0.361 62.859 63.200 0.034 0.000 0.844 117 S HN 0.693 nan 8.310 nan 0.000 0.459 118 R N 0.436 120.936 120.500 -0.000 0.000 2.062 118 R HA 0.108 4.448 4.340 -0.000 0.000 0.229 118 R C 2.715 179.006 176.300 -0.016 0.000 1.128 118 R CA 1.214 57.312 56.100 -0.003 0.000 0.960 118 R CB -0.589 29.711 30.300 0.001 0.000 0.855 118 R HN 0.485 nan 8.270 nan 0.000 0.432 119 A N 0.917 123.724 122.820 -0.021 0.000 1.933 119 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 119 A C 2.199 179.760 177.584 -0.038 0.000 1.175 119 A CA 1.810 53.829 52.037 -0.030 0.000 0.628 119 A CB -0.431 18.547 19.000 -0.036 0.000 0.814 119 A HN 0.407 nan 8.150 nan 0.000 0.444 120 A N -1.707 121.087 122.820 -0.043 0.000 2.095 120 A HA 0.300 4.620 4.320 -0.000 0.000 0.212 120 A C 0.867 178.419 177.584 -0.053 0.000 1.162 120 A CA 1.197 53.204 52.037 -0.050 0.000 0.753 120 A CB -0.120 18.849 19.000 -0.053 0.000 0.840 120 A HN 0.637 nan 8.150 nan 0.000 0.468 121 D N -1.264 119.105 120.400 -0.052 0.000 2.716 121 D HA -0.121 4.519 4.640 -0.000 0.000 0.239 121 D C -0.835 175.388 176.300 -0.129 0.000 1.125 121 D CA 0.854 54.808 54.000 -0.076 0.000 0.681 121 D CB -1.653 39.108 40.800 -0.065 0.000 1.070 121 D HN 0.232 nan 8.370 nan 0.000 0.432 122 V N 1.767 121.615 119.914 -0.110 0.000 2.588 122 V HA 0.410 4.530 4.120 -0.000 0.000 0.304 122 V C 0.475 176.519 176.094 -0.083 0.000 1.042 122 V CA -0.884 61.335 62.300 -0.135 0.000 0.877 122 V CB 1.789 33.589 31.823 -0.038 0.000 0.996 122 V HN 0.294 nan 8.190 nan 0.000 0.425 123 H N 4.261 123.349 119.070 0.030 0.000 2.790 123 H HA 0.506 5.062 4.556 -0.000 0.000 0.358 123 H C -0.389 174.956 175.328 0.030 0.000 1.103 123 H CA 0.112 56.175 56.048 0.025 0.000 1.426 123 H CB 0.693 30.469 29.762 0.024 0.000 1.424 123 H HN 0.477 nan 8.280 nan 0.000 0.599 124 I N 2.677 123.338 120.570 0.152 0.000 2.499 124 I HA 0.188 4.358 4.170 -0.000 0.000 0.288 124 I C -0.754 175.394 176.117 0.051 0.000 1.048 124 I CA -0.915 60.436 61.300 0.086 0.000 1.062 124 I CB 2.049 40.086 38.000 0.062 0.000 1.238 124 I HN 0.275 nan 8.210 nan 0.000 0.426 125 V N 5.176 125.106 119.914 0.026 0.000 2.407 125 V HA 0.599 4.719 4.120 -0.000 0.000 0.278 125 V C 0.588 176.665 176.094 -0.027 0.000 1.037 125 V CA -0.369 61.925 62.300 -0.010 0.000 0.900 125 V CB 1.425 33.235 31.823 -0.022 0.000 0.983 125 V HN 0.855 nan 8.190 nan 0.000 0.459 126 A N 4.229 127.030 122.820 -0.031 0.000 2.279 126 A HA 0.929 5.248 4.320 -0.000 0.000 0.303 126 A C 0.170 177.719 177.584 -0.057 0.000 1.108 126 A CA -0.121 51.894 52.037 -0.036 0.000 0.830 126 A CB 1.110 20.101 19.000 -0.014 0.000 1.106 126 A HN 1.214 nan 8.150 nan 0.000 0.493 127 A N -0.008 122.776 122.820 -0.060 0.000 2.330 127 A HA 0.786 5.106 4.320 -0.000 0.000 0.329 127 A C 0.230 177.772 177.584 -0.069 0.000 1.135 127 A CA 0.018 52.006 52.037 -0.081 0.000 0.817 127 A CB 1.213 20.156 19.000 -0.094 0.000 1.269 127 A HN 1.085 nan 8.150 nan 0.000 0.469 128 T N -1.039 113.438 114.554 -0.128 0.000 2.819 128 T HA 0.768 5.118 4.350 -0.000 0.000 0.271 128 T C 0.449 174.984 174.700 -0.275 0.000 0.986 128 T CA 0.920 62.918 62.100 -0.170 0.000 0.989 128 T CB 0.874 69.593 68.868 -0.249 0.000 1.396 128 T HN 2.651 nan 8.240 nan 0.000 0.597 129 G N -0.272 108.209 108.800 -0.533 0.000 2.549 129 G HA2 0.049 4.009 3.960 -0.000 0.000 0.404 129 G HA3 0.049 4.009 3.960 -0.000 0.000 0.404 129 G C -1.723 173.191 174.900 0.024 0.000 1.292 129 G CA -0.374 44.245 45.100 -0.801 0.000 0.935 129 G HN 0.864 nan 8.290 nan 0.000 0.512 130 L N -0.979 120.349 121.223 0.174 0.000 2.436 130 L HA 0.629 4.968 4.340 -0.000 0.000 0.268 130 L C 0.212 177.295 176.870 0.356 0.000 0.974 130 L CA -0.743 54.339 54.840 0.403 0.000 0.826 130 L CB 2.072 44.454 42.059 0.538 0.000 1.291 130 L HN 0.860 nan 8.230 nan 0.000 0.406 131 W N 2.565 123.962 121.300 0.161 0.000 1.941 131 W HA 0.490 5.150 4.660 -0.000 0.000 0.629 131 W C 1.312 177.878 176.519 0.077 0.000 1.517 131 W CA 0.396 57.791 57.345 0.084 0.000 1.502 131 W CB 0.419 29.921 29.460 0.069 0.000 3.266 131 W HN 0.421 nan 8.180 nan 0.000 0.765 132 G N 0.246 108.525 108.800 -0.867 0.000 3.088 132 G HA2 0.015 3.975 3.960 -0.000 0.000 0.212 132 G HA3 0.015 3.975 3.960 -0.000 0.000 0.212 132 G C -0.511 174.096 174.900 -0.488 0.000 1.173 132 G CA 0.407 45.006 45.100 -0.835 0.000 0.779 132 G HN 0.260 nan 8.290 nan 0.000 0.540 133 D N 0.334 120.614 120.400 -0.201 0.000 2.945 133 D HA 0.233 4.872 4.640 -0.000 0.000 0.369 133 D C -2.439 173.920 176.300 0.098 0.000 1.294 133 D CA -1.585 52.391 54.000 -0.041 0.000 0.778 133 D CB 0.954 41.761 40.800 0.012 0.000 1.188 133 D HN 0.073 nan 8.370 nan 0.000 0.479 134 P HA 0.252 nan 4.420 nan 0.000 0.276 134 P C -2.557 174.763 177.300 0.032 0.000 1.230 134 P CA -1.038 62.148 63.100 0.144 0.000 0.776 134 P CB 1.023 32.823 31.700 0.166 0.000 0.888 135 P HA 0.220 nan 4.420 nan 0.000 0.279 135 P C 1.238 178.506 177.300 -0.053 0.000 1.282 135 P CA -0.505 62.608 63.100 0.023 0.000 0.788 135 P CB 1.110 32.864 31.700 0.090 0.000 1.139 136 L N -0.204 120.983 121.223 -0.059 0.000 2.042 136 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 136 L C 2.548 179.353 176.870 -0.109 0.000 1.076 136 L CA 1.777 56.557 54.840 -0.100 0.000 0.749 136 L CB -0.964 41.056 42.059 -0.066 0.000 0.893 136 L HN 0.348 nan 8.230 nan 0.000 0.432 137 S N -0.830 114.831 115.700 -0.066 0.000 2.419 137 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 137 S C 1.909 176.433 174.600 -0.127 0.000 1.019 137 S CA 1.162 59.313 58.200 -0.082 0.000 0.982 137 S CB -0.071 63.095 63.200 -0.057 0.000 0.789 137 S HN 0.296 nan 8.310 nan 0.000 0.490 138 M N 0.572 120.099 119.600 -0.122 0.000 2.429 138 M HA 0.176 4.656 4.480 -0.000 0.000 0.265 138 M C 1.984 178.104 176.300 -0.300 0.000 1.120 138 M CA 0.927 56.155 55.300 -0.119 0.000 1.173 138 M CB -0.949 31.660 32.600 0.015 0.000 1.343 138 M HN 0.185 nan 8.290 nan 0.000 0.464 139 R N 0.498 120.654 120.500 -0.573 0.000 2.193 139 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 139 R C 1.632 177.558 176.300 -0.624 0.000 1.110 139 R CA 0.897 56.316 56.100 -1.135 0.000 0.988 139 R CB -0.342 29.566 30.300 -0.653 0.000 0.871 139 R HN 0.357 nan 8.270 nan 0.000 0.458 140 L N 0.683 121.739 121.223 -0.277 0.000 2.611 140 L HA 0.116 4.456 4.340 -0.000 0.000 0.229 140 L C 0.415 177.271 176.870 -0.024 0.000 1.137 140 L CA -0.096 54.674 54.840 -0.117 0.000 0.901 140 L CB -0.041 41.964 42.059 -0.090 0.000 1.098 140 L HN -0.051 nan 8.230 nan 0.000 0.456 141 R N 0.742 121.264 120.500 0.037 0.000 2.500 141 R HA 0.325 4.665 4.340 -0.000 0.000 0.275 141 R C 0.447 176.831 176.300 0.139 0.000 1.051 141 R CA -0.122 56.027 56.100 0.082 0.000 1.088 141 R CB 1.426 31.761 30.300 0.058 0.000 1.063 141 R HN 0.092 nan 8.270 nan 0.000 0.511 142 S N -0.337 115.396 115.700 0.056 0.000 2.645 142 S HA 0.056 4.525 4.470 -0.000 0.000 0.266 142 S C 1.299 175.902 174.600 0.006 0.000 1.258 142 S CA -0.720 57.503 58.200 0.038 0.000 0.990 142 S CB 1.199 64.406 63.200 0.011 0.000 0.967 142 S HN 0.405 nan 8.310 nan 0.000 0.556 143 V N 1.173 121.079 119.914 -0.013 0.000 2.392 143 V HA -0.176 3.943 4.120 -0.000 0.000 0.249 143 V C 2.257 178.317 176.094 -0.057 0.000 1.059 143 V CA 2.570 64.842 62.300 -0.047 0.000 1.051 143 V CB -1.191 30.613 31.823 -0.032 0.000 0.658 143 V HN 0.945 nan 8.190 nan 0.000 0.455 144 E N 0.106 120.285 120.200 -0.035 0.000 2.072 144 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 144 E C 2.160 178.730 176.600 -0.050 0.000 0.985 144 E CA 1.769 58.149 56.400 -0.034 0.000 0.801 144 E CB -0.231 29.458 29.700 -0.019 0.000 0.750 144 E HN 0.739 nan 8.360 nan 0.000 0.452 145 E N 0.397 120.568 120.200 -0.048 0.000 2.051 145 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 145 E C 2.123 178.667 176.600 -0.094 0.000 0.991 145 E CA 0.846 57.215 56.400 -0.052 0.000 0.799 145 E CB -0.171 29.505 29.700 -0.041 0.000 0.748 145 E HN 0.203 nan 8.360 nan 0.000 0.449 146 L N 0.862 121.992 121.223 -0.155 0.000 2.079 146 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 146 L C 2.534 179.049 176.870 -0.592 0.000 1.081 146 L CA 1.199 55.808 54.840 -0.385 0.000 0.752 146 L CB -0.728 41.087 42.059 -0.408 0.000 0.896 146 L HN 0.199 nan 8.230 nan 0.000 0.433 147 T N -1.452 112.922 114.554 -0.301 0.000 2.746 147 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 147 T C 1.942 176.591 174.700 -0.085 0.000 1.039 147 T CA 0.966 62.967 62.100 -0.164 0.000 1.142 147 T CB -0.125 68.710 68.868 -0.054 0.000 0.866 147 T HN 0.238 nan 8.240 nan 0.000 0.444 148 Q N 0.200 119.965 119.800 -0.058 0.000 2.124 148 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 148 Q C 2.004 178.023 176.000 0.032 0.000 0.977 148 Q CA 1.132 56.930 55.803 -0.008 0.000 0.850 148 Q CB -0.701 28.034 28.738 -0.006 0.000 0.901 148 Q HN 0.558 nan 8.270 nan 0.000 0.429 149 F N 0.588 120.452 119.950 -0.144 0.000 2.084 149 F HA -0.198 4.329 4.527 -0.000 0.000 0.296 149 F C 1.748 177.607 175.800 0.098 0.000 1.111 149 F CA 1.023 58.973 58.000 -0.083 0.000 1.224 149 F CB -0.451 38.457 39.000 -0.153 0.000 0.991 149 F HN -0.052 nan 8.300 nan 0.000 0.471 150 F N 0.724 120.569 119.950 -0.176 0.000 2.126 150 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 150 F C 2.422 178.097 175.800 -0.208 0.000 1.096 150 F CA 1.025 58.865 58.000 -0.267 0.000 1.255 150 F CB -1.714 37.240 39.000 -0.075 0.000 0.997 150 F HN 0.020 nan 8.300 nan 0.000 0.479 151 L N -0.460 120.805 121.223 0.070 0.000 2.042 151 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 151 L C 2.750 179.621 176.870 0.001 0.000 1.076 151 L CA 1.446 56.302 54.840 0.026 0.000 0.749 151 L CB -0.668 41.408 42.059 0.028 0.000 0.893 151 L HN 0.078 nan 8.230 nan 0.000 0.432 152 R N 0.691 121.176 120.500 -0.025 0.000 2.094 152 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 152 R C 2.038 178.342 176.300 0.007 0.000 1.137 152 R CA 2.094 58.191 56.100 -0.005 0.000 0.943 152 R CB -0.218 30.058 30.300 -0.040 0.000 0.850 152 R HN 0.468 nan 8.270 nan 0.000 0.433 153 E N -0.186 119.932 120.200 -0.136 0.000 2.204 153 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 153 E C 2.043 178.612 176.600 -0.052 0.000 0.989 153 E CA 1.085 57.419 56.400 -0.109 0.000 0.824 153 E CB 0.007 29.548 29.700 -0.264 0.000 0.756 153 E HN 0.485 nan 8.360 nan 0.000 0.477 154 I N 0.623 121.164 120.570 -0.048 0.000 2.400 154 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 154 I C 2.350 178.459 176.117 -0.013 0.000 1.109 154 I CA 1.026 62.303 61.300 -0.038 0.000 1.425 154 I CB -0.015 37.960 38.000 -0.041 0.000 1.094 154 I HN 0.013 nan 8.210 nan 0.000 0.425 155 Q N -0.781 119.030 119.800 0.017 0.000 2.200 155 Q HA -0.081 4.259 4.340 -0.000 0.000 0.197 155 Q C 1.959 177.994 176.000 0.058 0.000 0.953 155 Q CA 1.013 56.834 55.803 0.030 0.000 0.851 155 Q CB 0.022 28.786 28.738 0.043 0.000 0.938 155 Q HN 0.458 nan 8.270 nan 0.000 0.488 156 Y N 0.145 120.431 120.300 -0.024 0.000 2.230 156 Y HA 0.232 4.782 4.550 -0.000 0.000 0.294 156 Y C 0.699 176.592 175.900 -0.011 0.000 1.120 156 Y CA 1.496 59.588 58.100 -0.012 0.000 1.129 156 Y CB 0.536 38.993 38.460 -0.004 0.000 1.040 156 Y HN 0.092 nan 8.280 nan 0.000 0.519 157 G N 0.059 108.943 108.800 0.141 0.000 2.339 157 G HA2 0.073 4.033 3.960 -0.000 0.000 0.381 157 G HA3 0.073 4.033 3.960 -0.000 0.000 0.381 157 G C -1.847 173.158 174.900 0.175 0.000 1.400 157 G CA -0.580 44.560 45.100 0.066 0.000 1.002 157 G HN 0.202 nan 8.290 nan 0.000 0.633 158 I N 1.995 122.628 120.570 0.107 0.000 2.342 158 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 158 I C 1.030 177.244 176.117 0.162 0.000 1.010 158 I CA 0.130 61.505 61.300 0.125 0.000 1.308 158 I CB 1.028 39.083 38.000 0.091 0.000 1.400 158 I HN 0.965 nan 8.210 nan 0.000 0.488 159 E N 3.224 123.543 120.200 0.199 0.000 3.333 159 E HA -0.367 3.983 4.350 -0.000 0.000 0.342 159 E C 0.026 176.752 176.600 0.210 0.000 1.501 159 E CA 1.524 58.039 56.400 0.192 0.000 1.770 159 E CB -0.449 29.352 29.700 0.167 0.000 1.817 159 E HN 0.821 nan 8.360 nan 0.000 0.485 160 D N -0.237 120.259 120.400 0.160 0.000 2.463 160 D HA 0.141 4.781 4.640 -0.000 0.000 0.224 160 D C 0.952 177.305 176.300 0.088 0.000 1.174 160 D CA 0.862 54.954 54.000 0.153 0.000 0.829 160 D CB 0.191 41.065 40.800 0.123 0.000 0.993 160 D HN 0.402 nan 8.370 nan 0.000 0.497 161 T N -4.552 110.046 114.554 0.073 0.000 3.037 161 T HA 0.252 4.602 4.350 -0.000 0.000 0.251 161 T C 1.877 176.570 174.700 -0.011 0.000 1.079 161 T CA 0.558 62.677 62.100 0.033 0.000 1.067 161 T CB 0.168 69.061 68.868 0.041 0.000 0.948 161 T HN 0.137 nan 8.240 nan 0.000 0.496 162 G N 1.725 110.497 108.800 -0.046 0.000 2.189 162 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.267 162 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.267 162 G C 0.102 174.961 174.900 -0.069 0.000 0.975 162 G CA 0.253 45.283 45.100 -0.116 0.000 0.644 162 G HN 0.681 nan 8.290 nan 0.000 0.537 163 I N 1.501 122.057 120.570 -0.023 0.000 2.421 163 I HA 0.213 4.382 4.170 -0.000 0.000 0.291 163 I C 1.116 177.225 176.117 -0.013 0.000 1.089 163 I CA -0.165 61.127 61.300 -0.013 0.000 1.354 163 I CB 0.380 38.384 38.000 0.006 0.000 1.413 163 I HN 0.081 nan 8.210 nan 0.000 0.513 164 R N 5.023 125.506 120.500 -0.029 0.000 2.349 164 R HA 0.607 4.947 4.340 -0.000 0.000 0.299 164 R C 0.021 176.298 176.300 -0.038 0.000 1.027 164 R CA -0.606 55.475 56.100 -0.032 0.000 0.958 164 R CB 1.247 31.522 30.300 -0.042 0.000 1.047 164 R HN 0.711 nan 8.270 nan 0.000 0.468 165 A N 1.313 124.105 122.820 -0.046 0.000 2.407 165 A HA 0.360 4.680 4.320 -0.000 0.000 0.248 165 A C 1.050 178.587 177.584 -0.078 0.000 1.082 165 A CA 0.048 52.047 52.037 -0.063 0.000 0.785 165 A CB 0.484 19.434 19.000 -0.085 0.000 1.020 165 A HN 0.926 nan 8.150 nan 0.000 0.489 166 G N 0.095 108.842 108.800 -0.088 0.000 3.192 166 G HA2 0.454 4.414 3.960 -0.000 0.000 0.239 166 G HA3 0.454 4.414 3.960 -0.000 0.000 0.239 166 G C 0.060 174.873 174.900 -0.146 0.000 1.084 166 G CA 0.386 45.421 45.100 -0.107 0.000 0.784 166 G HN 0.712 nan 8.290 nan 0.000 0.540 167 I N -0.421 120.062 120.570 -0.144 0.000 2.984 167 I HA 0.511 4.681 4.170 -0.000 0.000 0.303 167 I C -1.466 174.551 176.117 -0.166 0.000 1.381 167 I CA -1.143 60.052 61.300 -0.175 0.000 0.988 167 I CB 2.411 40.325 38.000 -0.143 0.000 1.307 167 I HN -0.118 nan 8.210 nan 0.000 0.460 171 A N 0.679 123.597 122.820 0.162 0.000 2.547 171 A HA 1.028 5.348 4.320 -0.000 0.000 0.297 171 A C -0.416 177.217 177.584 0.083 0.000 1.056 171 A CA 0.013 52.134 52.037 0.140 0.000 0.688 171 A CB 1.725 20.703 19.000 -0.037 0.000 1.282 171 A HN 2.573 nan 8.150 nan 0.000 0.400 172 T N -1.386 113.251 114.554 0.139 0.000 2.906 172 T HA 0.821 5.171 4.350 -0.000 0.000 0.295 172 T C -0.408 174.399 174.700 0.178 0.000 1.075 172 T CA -0.083 62.071 62.100 0.090 0.000 1.005 172 T CB 1.745 70.641 68.868 0.046 0.000 1.136 172 T HN 1.680 nan 8.240 nan 0.000 0.498 173 T N -1.080 113.533 114.554 0.098 0.000 3.068 173 T HA 0.685 5.035 4.350 -0.000 0.000 0.364 173 T C 0.704 175.436 174.700 0.052 0.000 1.161 173 T CA 0.057 62.226 62.100 0.116 0.000 1.155 173 T CB 0.023 68.962 68.868 0.119 0.000 1.060 173 T HN 2.097 nan 8.240 nan 0.000 0.513 174 G N 2.401 111.223 108.800 0.036 0.000 2.660 174 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 174 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 174 G C -0.359 174.542 174.900 0.002 0.000 1.345 174 G CA -0.511 44.594 45.100 0.008 0.000 0.877 174 G HN 0.990 nan 8.290 nan 0.000 0.549 175 K N 0.567 120.963 120.400 -0.007 0.000 2.530 175 K HA 0.427 4.747 4.320 -0.000 0.000 0.280 175 K C 1.053 177.647 176.600 -0.009 0.000 1.004 175 K CA 0.464 56.744 56.287 -0.012 0.000 1.071 175 K CB -0.012 32.480 32.500 -0.012 0.000 0.876 175 K HN 1.705 nan 8.250 nan 0.000 0.487 176 A N 3.961 126.769 122.820 -0.020 0.000 2.531 176 A HA 0.056 4.376 4.320 -0.000 0.000 0.236 176 A C 0.392 177.975 177.584 -0.003 0.000 1.062 176 A CA 0.311 52.337 52.037 -0.019 0.000 0.760 176 A CB -0.182 18.790 19.000 -0.047 0.000 0.995 176 A HN 0.887 nan 8.150 nan 0.000 0.501 177 T N 0.788 115.352 114.554 0.016 0.000 2.813 177 T HA 0.361 4.711 4.350 -0.000 0.000 0.297 177 T C -1.859 172.867 174.700 0.044 0.000 1.036 177 T CA -1.031 61.093 62.100 0.040 0.000 1.044 177 T CB 0.434 69.347 68.868 0.076 0.000 0.993 177 T HN 0.356 nan 8.240 nan 0.000 0.535 178 P HA -0.040 nan 4.420 nan 0.000 0.216 178 P C 1.215 178.563 177.300 0.080 0.000 1.150 178 P CA 0.618 63.751 63.100 0.056 0.000 0.837 178 P CB -0.129 31.610 31.700 0.065 0.000 0.786 179 F N 0.763 120.715 119.950 0.004 0.000 2.102 179 F HA -0.192 4.334 4.527 -0.000 0.000 0.298 179 F C 2.174 177.992 175.800 0.030 0.000 1.105 179 F CA 1.657 59.666 58.000 0.015 0.000 1.239 179 F CB -1.025 37.984 39.000 0.015 0.000 0.991 179 F HN -0.103 nan 8.300 nan 0.000 0.474 180 Q N -0.032 119.726 119.800 -0.069 0.000 2.181 180 Q HA -0.241 4.099 4.340 -0.000 0.000 0.205 180 Q C 2.079 177.985 176.000 -0.155 0.000 0.980 180 Q CA 2.021 57.747 55.803 -0.129 0.000 0.862 180 Q CB -0.327 28.400 28.738 -0.018 0.000 0.905 180 Q HN 0.582 nan 8.270 nan 0.000 0.429 181 E N 0.380 120.510 120.200 -0.117 0.000 2.110 181 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 181 E C 2.029 178.555 176.600 -0.122 0.000 0.988 181 E CA 0.802 57.137 56.400 -0.108 0.000 0.804 181 E CB -0.070 29.589 29.700 -0.068 0.000 0.745 181 E HN 0.369 nan 8.360 nan 0.000 0.458 182 L N 0.529 121.644 121.223 -0.180 0.000 2.046 182 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 182 L C 2.530 179.281 176.870 -0.199 0.000 1.077 182 L CA 0.745 55.472 54.840 -0.188 0.000 0.747 182 L CB -0.639 41.285 42.059 -0.225 0.000 0.896 182 L HN 0.045 nan 8.230 nan 0.000 0.432 183 V N 0.417 120.131 119.914 -0.332 0.000 2.332 183 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 183 V C 2.473 178.645 176.094 0.131 0.000 1.055 183 V CA 1.785 64.035 62.300 -0.082 0.000 1.038 183 V CB -0.427 31.329 31.823 -0.111 0.000 0.651 183 V HN 0.353 nan 8.190 nan 0.000 0.450 184 L N -0.783 120.466 121.223 0.043 0.000 2.056 184 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 184 L C 2.621 179.612 176.870 0.201 0.000 1.078 184 L CA 1.635 56.549 54.840 0.123 0.000 0.749 184 L CB -0.582 41.383 42.059 -0.158 0.000 0.901 184 L HN 0.295 nan 8.230 nan 0.000 0.433 185 K N 0.120 120.570 120.400 0.084 0.000 2.026 185 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 185 K C 2.233 178.914 176.600 0.136 0.000 1.048 185 K CA 1.451 57.797 56.287 0.098 0.000 0.929 185 K CB -0.270 32.248 32.500 0.031 0.000 0.713 185 K HN 0.267 nan 8.250 nan 0.000 0.439 186 A N 1.531 124.426 122.820 0.124 0.000 1.902 186 A HA -0.120 4.199 4.320 -0.000 0.000 0.217 186 A C 2.377 180.162 177.584 0.335 0.000 1.181 186 A CA 1.821 53.939 52.037 0.136 0.000 0.623 186 A CB -0.694 18.263 19.000 -0.073 0.000 0.818 186 A HN 0.343 nan 8.150 nan 0.000 0.443 187 A N -0.064 123.024 122.820 0.448 0.000 1.908 187 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 187 A C 2.506 180.209 177.584 0.198 0.000 1.181 187 A CA 2.259 54.495 52.037 0.332 0.000 0.627 187 A CB -1.017 18.137 19.000 0.256 0.000 0.818 187 A HN 1.075 nan 8.150 nan 0.000 0.445 188 A N -0.314 122.646 122.820 0.234 0.000 1.898 188 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 188 A C 2.231 179.875 177.584 0.099 0.000 1.181 188 A CA 1.440 53.570 52.037 0.155 0.000 0.620 188 A CB -0.428 18.727 19.000 0.258 0.000 0.819 188 A HN 0.564 nan 8.150 nan 0.000 0.442 189 R N -0.405 120.165 120.500 0.115 0.000 2.092 189 R HA -0.040 4.299 4.340 -0.000 0.000 0.231 189 R C 2.451 178.792 176.300 0.068 0.000 1.119 189 R CA 1.151 57.297 56.100 0.077 0.000 0.970 189 R CB -0.456 29.884 30.300 0.067 0.000 0.864 189 R HN 0.498 nan 8.270 nan 0.000 0.440 190 A N 0.424 123.308 122.820 0.107 0.000 1.902 190 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 190 A C 2.201 179.801 177.584 0.027 0.000 1.181 190 A CA 1.829 53.919 52.037 0.089 0.000 0.623 190 A CB -0.599 18.504 19.000 0.171 0.000 0.818 190 A HN 0.302 nan 8.150 nan 0.000 0.443 191 S N -0.677 115.026 115.700 0.005 0.000 2.383 191 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 191 S C 1.918 176.494 174.600 -0.041 0.000 1.026 191 S CA 1.260 59.430 58.200 -0.050 0.000 0.981 191 S CB -0.462 62.683 63.200 -0.090 0.000 0.818 191 S HN 0.479 nan 8.310 nan 0.000 0.472 192 L N 0.823 122.038 121.223 -0.014 0.000 2.083 192 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 192 L C 2.821 179.684 176.870 -0.011 0.000 1.083 192 L CA 1.277 56.110 54.840 -0.011 0.000 0.752 192 L CB -0.499 41.564 42.059 0.008 0.000 0.899 192 L HN 0.426 nan 8.230 nan 0.000 0.433 193 A N -0.768 122.050 122.820 -0.002 0.000 1.970 193 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 193 A C 2.319 179.895 177.584 -0.013 0.000 1.170 193 A CA 1.810 53.845 52.037 -0.003 0.000 0.645 193 A CB -0.518 18.487 19.000 0.008 0.000 0.816 193 A HN 0.484 nan 8.150 nan 0.000 0.447 194 T N -5.977 108.564 114.554 -0.023 0.000 3.000 194 T HA 0.420 4.770 4.350 -0.000 0.000 0.248 194 T C 1.478 176.145 174.700 -0.055 0.000 1.034 194 T CA 1.191 63.270 62.100 -0.035 0.000 1.060 194 T CB 0.305 69.151 68.868 -0.037 0.000 0.983 194 T HN 1.650 nan 8.240 nan 0.000 0.482 195 G N 0.915 109.675 108.800 -0.066 0.000 2.175 195 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.244 195 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.244 195 G C 0.061 174.883 174.900 -0.131 0.000 0.982 195 G CA -0.021 45.026 45.100 -0.088 0.000 0.641 195 G HN 0.717 nan 8.290 nan 0.000 0.527 196 V N 3.368 123.200 119.914 -0.136 0.000 2.649 196 V HA 0.456 4.576 4.120 -0.000 0.000 0.292 196 V C -0.907 175.038 176.094 -0.249 0.000 1.055 196 V CA -0.971 61.216 62.300 -0.189 0.000 1.023 196 V CB 1.486 33.217 31.823 -0.154 0.000 0.992 196 V HN 0.257 nan 8.190 nan 0.000 0.480 197 P HA 0.267 nan 4.420 nan 0.000 0.276 197 P C -1.045 176.053 177.300 -0.337 0.000 1.252 197 P CA -0.188 62.603 63.100 -0.514 0.000 0.802 197 P CB 1.193 32.117 31.700 -1.294 0.000 1.035 198 V N 0.424 120.209 119.914 -0.215 0.000 2.555 198 V HA 0.530 4.650 4.120 -0.000 0.000 0.302 198 V C 0.402 176.536 176.094 0.067 0.000 1.038 198 V CA -0.223 62.000 62.300 -0.129 0.000 0.887 198 V CB 1.648 33.298 31.823 -0.288 0.000 0.991 198 V HN 0.660 nan 8.190 nan 0.000 0.434 199 T N 2.696 117.310 114.554 0.100 0.000 2.886 199 T HA 0.690 5.040 4.350 -0.000 0.000 0.292 199 T C -0.419 174.364 174.700 0.139 0.000 1.012 199 T CA -0.166 62.037 62.100 0.172 0.000 0.982 199 T CB 1.531 70.525 68.868 0.209 0.000 1.018 199 T HN 1.043 nan 8.240 nan 0.000 0.451 200 T N 1.249 115.886 114.554 0.139 0.000 2.924 200 T HA 0.575 4.925 4.350 -0.000 0.000 0.291 200 T C -0.707 174.050 174.700 0.095 0.000 1.045 200 T CA -0.753 61.446 62.100 0.166 0.000 1.015 200 T CB 1.310 70.309 68.868 0.218 0.000 1.103 200 T HN 0.769 nan 8.240 nan 0.000 0.496 201 H N 0.922 120.024 119.070 0.054 0.000 2.489 201 H HA 0.632 5.188 4.556 -0.000 0.000 0.322 201 H C 0.053 175.422 175.328 0.069 0.000 1.091 201 H CA -0.215 55.837 56.048 0.007 0.000 1.291 201 H CB 1.114 31.026 29.762 0.251 0.000 1.436 201 H HN 1.022 nan 8.280 nan 0.000 0.480 202 T N 1.733 116.231 114.554 -0.092 0.000 2.916 202 T HA 0.659 5.008 4.350 -0.000 0.000 0.292 202 T C -0.399 174.273 174.700 -0.048 0.000 1.064 202 T CA -0.853 61.265 62.100 0.030 0.000 1.011 202 T CB 1.471 70.372 68.868 0.055 0.000 1.152 202 T HN 0.743 nan 8.240 nan 0.000 0.510 203 A N 0.931 123.770 122.820 0.033 0.000 2.650 203 A HA 0.698 5.018 4.320 -0.000 0.000 0.320 203 A C 1.593 179.168 177.584 -0.015 0.000 1.466 203 A CA -0.227 51.818 52.037 0.013 0.000 1.099 203 A CB -0.744 18.275 19.000 0.031 0.000 1.136 203 A HN 1.315 nan 8.150 nan 0.000 0.532 204 A N 2.183 125.004 122.820 0.002 0.000 1.940 204 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 204 A C 2.397 179.872 177.584 -0.182 0.000 1.176 204 A CA 2.203 54.223 52.037 -0.028 0.000 0.631 204 A CB -0.760 18.288 19.000 0.080 0.000 0.814 204 A HN 1.566 nan 8.150 nan 0.000 0.446 205 S N -0.667 114.971 115.700 -0.104 0.000 2.500 205 S HA -0.167 4.302 4.470 -0.000 0.000 0.239 205 S C 1.370 175.879 174.600 -0.152 0.000 0.989 205 S CA 1.340 59.469 58.200 -0.119 0.000 0.951 205 S CB -0.359 62.808 63.200 -0.056 0.000 0.759 205 S HN 0.725 nan 8.310 nan 0.000 0.523 206 Q N 0.321 120.029 119.800 -0.153 0.000 2.219 206 Q HA 0.302 4.642 4.340 -0.000 0.000 0.209 206 Q C -0.438 175.445 176.000 -0.194 0.000 0.854 206 Q CA -0.355 55.366 55.803 -0.136 0.000 0.960 206 Q CB 0.280 28.978 28.738 -0.067 0.000 1.116 206 Q HN 0.559 nan 8.270 nan 0.000 0.500 207 R N 0.475 120.737 120.500 -0.396 0.000 3.525 207 R HA -0.192 4.148 4.340 -0.000 0.000 0.276 207 R C -0.360 175.896 176.300 -0.073 0.000 1.116 207 R CA 0.559 56.330 56.100 -0.549 0.000 0.745 207 R CB -1.786 28.294 30.300 -0.367 0.000 1.185 207 R HN 0.238 nan 8.270 nan 0.000 0.454 208 D N 0.289 120.675 120.400 -0.022 0.000 2.178 208 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 208 D C 2.109 178.447 176.300 0.062 0.000 0.980 208 D CA 1.706 55.720 54.000 0.024 0.000 0.842 208 D CB -0.338 40.484 40.800 0.037 0.000 0.948 208 D HN 0.562 nan 8.370 nan 0.000 0.472 209 G N 0.859 109.766 108.800 0.178 0.000 2.505 209 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 209 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 209 G C 1.486 176.366 174.900 -0.033 0.000 1.145 209 G CA 0.992 46.135 45.100 0.072 0.000 0.761 209 G HN 0.333 nan 8.290 nan 0.000 0.571 210 E N -0.367 119.882 120.200 0.081 0.000 2.058 210 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 210 E C 2.459 179.033 176.600 -0.044 0.000 0.997 210 E CA 1.211 57.616 56.400 0.008 0.000 0.801 210 E CB -0.184 29.559 29.700 0.073 0.000 0.746 210 E HN 0.641 nan 8.360 nan 0.000 0.450 211 Q N 0.788 120.561 119.800 -0.045 0.000 2.079 211 Q HA -0.228 4.112 4.340 -0.000 0.000 0.200 211 Q C 2.177 178.079 176.000 -0.163 0.000 0.974 211 Q CA 1.359 57.113 55.803 -0.081 0.000 0.840 211 Q CB 0.101 28.798 28.738 -0.069 0.000 0.898 211 Q HN 0.313 nan 8.270 nan 0.000 0.430 212 Q N -0.062 119.619 119.800 -0.198 0.000 2.077 212 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 212 Q C 2.136 177.872 176.000 -0.441 0.000 0.989 212 Q CA 1.608 57.166 55.803 -0.408 0.000 0.853 212 Q CB -0.309 28.300 28.738 -0.215 0.000 0.907 212 Q HN 0.494 nan 8.270 nan 0.000 0.418 213 A N 1.227 123.936 122.820 -0.184 0.000 1.883 213 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 213 A C 2.359 179.989 177.584 0.077 0.000 1.186 213 A CA 1.744 53.761 52.037 -0.033 0.000 0.624 213 A CB -0.950 17.828 19.000 -0.370 0.000 0.822 213 A HN 0.426 nan 8.150 nan 0.000 0.444 214 A N -0.071 122.737 122.820 -0.020 0.000 1.892 214 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 214 A C 2.151 179.730 177.584 -0.009 0.000 1.188 214 A CA 1.749 53.787 52.037 0.002 0.000 0.631 214 A CB -0.655 18.331 19.000 -0.023 0.000 0.822 214 A HN 0.521 nan 8.150 nan 0.000 0.447 215 I N -1.813 118.688 120.570 -0.114 0.000 2.252 215 I HA -0.203 3.966 4.170 -0.000 0.000 0.245 215 I C 2.223 178.328 176.117 -0.021 0.000 1.102 215 I CA 1.039 62.261 61.300 -0.131 0.000 1.385 215 I CB -0.364 37.476 38.000 -0.266 0.000 1.064 215 I HN 0.266 nan 8.210 nan 0.000 0.414 216 F N 1.389 121.379 119.950 0.067 0.000 2.102 216 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 216 F C 2.544 178.397 175.800 0.089 0.000 1.105 216 F CA 1.343 59.398 58.000 0.093 0.000 1.239 216 F CB -0.961 38.130 39.000 0.152 0.000 0.991 216 F HN 0.101 nan 8.300 nan 0.000 0.474 217 E N -0.241 120.131 120.200 0.287 0.000 2.150 217 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 217 E C 2.297 178.967 176.600 0.117 0.000 0.985 217 E CA 1.281 57.792 56.400 0.186 0.000 0.814 217 E CB -0.276 29.530 29.700 0.176 0.000 0.752 217 E HN 0.396 nan 8.360 nan 0.000 0.466 218 S N 0.983 116.741 115.700 0.097 0.000 2.419 218 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 218 S C 1.611 176.252 174.600 0.067 0.000 1.016 218 S CA 0.879 59.117 58.200 0.063 0.000 0.974 218 S CB 0.009 63.232 63.200 0.038 0.000 0.786 218 S HN 0.117 nan 8.310 nan 0.000 0.492 219 E N 0.663 120.921 120.200 0.097 0.000 2.474 219 E HA 0.234 4.584 4.350 -0.000 0.000 0.195 219 E C 1.260 177.907 176.600 0.079 0.000 1.039 219 E CA 0.510 56.964 56.400 0.090 0.000 0.881 219 E CB 0.161 29.936 29.700 0.124 0.000 0.970 219 E HN 0.722 nan 8.360 nan 0.000 0.486 220 G N 1.836 110.683 108.800 0.079 0.000 2.136 220 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 220 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 220 G C -0.003 174.927 174.900 0.049 0.000 0.989 220 G CA 0.354 45.487 45.100 0.056 0.000 0.682 220 G HN 0.238 nan 8.290 nan 0.000 0.522 221 L N 1.934 123.202 121.223 0.076 0.000 2.349 221 L HA 0.700 5.040 4.340 -0.000 0.000 0.275 221 L C 0.761 177.635 176.870 0.007 0.000 1.115 221 L CA -0.209 54.653 54.840 0.037 0.000 0.820 221 L CB 1.186 43.272 42.059 0.045 0.000 1.135 221 L HN 0.145 nan 8.230 nan 0.000 0.445 222 S N 6.853 122.527 115.700 -0.044 0.000 2.533 222 S HA 0.151 4.621 4.470 -0.000 0.000 0.282 222 S C -1.663 172.835 174.600 -0.171 0.000 1.304 222 S CA -0.608 57.539 58.200 -0.089 0.000 1.063 222 S CB 0.729 63.880 63.200 -0.082 0.000 0.881 222 S HN 0.597 nan 8.310 nan 0.000 0.493 223 P HA -0.119 nan 4.420 nan 0.000 0.220 223 P C 1.307 178.341 177.300 -0.443 0.000 1.144 223 P CA 0.945 63.580 63.100 -0.776 0.000 0.800 223 P CB -0.057 30.852 31.700 -1.318 0.000 0.772 224 S N -1.862 113.700 115.700 -0.230 0.000 2.561 224 S HA 0.035 4.505 4.470 -0.000 0.000 0.225 224 S C 1.704 176.314 174.600 0.017 0.000 0.977 224 S CA 0.245 58.392 58.200 -0.089 0.000 0.926 224 S CB -0.539 62.623 63.200 -0.063 0.000 0.769 224 S HN 0.003 nan 8.310 nan 0.000 0.533 225 R N 0.885 121.360 120.500 -0.041 0.000 2.310 225 R HA 0.330 4.670 4.340 -0.000 0.000 0.202 225 R C -0.353 175.980 176.300 0.056 0.000 0.933 225 R CA 0.125 56.198 56.100 -0.044 0.000 1.054 225 R CB -0.138 30.088 30.300 -0.124 0.000 0.985 225 R HN 0.353 nan 8.270 nan 0.000 0.489 226 V N 0.517 120.514 119.914 0.139 0.000 2.531 226 V HA 0.202 4.322 4.120 -0.000 0.000 0.301 226 V C -0.463 175.776 176.094 0.242 0.000 1.034 226 V CA -1.209 61.183 62.300 0.153 0.000 0.865 226 V CB 2.338 34.207 31.823 0.077 0.000 0.995 226 V HN 0.108 nan 8.190 nan 0.000 0.424 227 C N 7.250 126.665 119.300 0.192 0.000 2.264 227 C HA 0.555 5.015 4.460 -0.000 0.000 0.324 227 C C 0.032 175.045 174.990 0.038 0.000 1.267 227 C CA -0.733 58.259 59.018 -0.043 0.000 1.618 227 C CB -0.608 26.946 27.740 -0.311 0.000 2.278 227 C HN 0.705 nan 8.230 nan 0.000 0.499 228 I N 6.875 127.457 120.570 0.019 0.000 2.347 228 I HA 0.262 4.432 4.170 -0.000 0.000 0.294 228 I C 1.204 177.300 176.117 -0.034 0.000 1.090 228 I CA 0.671 61.974 61.300 0.005 0.000 1.314 228 I CB -0.233 37.730 38.000 -0.063 0.000 1.423 228 I HN 0.893 nan 8.210 nan 0.000 0.503 229 G N 4.521 113.285 108.800 -0.058 0.000 2.522 229 G HA2 0.349 4.309 3.960 -0.000 0.000 0.304 229 G HA3 0.349 4.309 3.960 -0.000 0.000 0.304 229 G C 0.268 175.026 174.900 -0.236 0.000 1.210 229 G CA -0.223 44.770 45.100 -0.180 0.000 0.960 229 G HN 0.765 nan 8.290 nan 0.000 0.497 230 H N -0.974 118.014 119.070 -0.136 0.000 2.921 230 H HA -0.157 4.399 4.556 -0.000 0.000 0.281 230 H C 1.932 177.306 175.328 0.077 0.000 1.165 230 H CA 0.513 56.499 56.048 -0.104 0.000 1.151 230 H CB -1.769 27.804 29.762 -0.315 0.000 1.311 230 H HN 0.341 nan 8.280 nan 0.000 0.361 231 S N 0.227 116.010 115.700 0.139 0.000 2.481 231 S HA -0.090 4.379 4.470 -0.000 0.000 0.231 231 S C 1.652 176.330 174.600 0.130 0.000 0.996 231 S CA 0.856 59.138 58.200 0.137 0.000 0.942 231 S CB 0.059 63.293 63.200 0.057 0.000 0.768 231 S HN 0.661 nan 8.310 nan 0.000 0.520 232 D N 1.071 121.541 120.400 0.117 0.000 2.392 232 D HA -0.099 4.540 4.640 -0.000 0.000 0.228 232 D C 0.536 176.832 176.300 -0.007 0.000 1.003 232 D CA 0.511 54.537 54.000 0.044 0.000 0.917 232 D CB -0.269 40.532 40.800 0.001 0.000 0.890 232 D HN 0.201 nan 8.370 nan 0.000 0.532 233 D N -0.071 120.358 120.400 0.049 0.000 2.349 233 D HA -0.006 4.634 4.640 -0.000 0.000 0.215 233 D C 0.297 176.615 176.300 0.029 0.000 1.016 233 D CA 0.447 54.459 54.000 0.020 0.000 0.870 233 D CB 0.389 41.236 40.800 0.079 0.000 0.917 233 D HN 0.142 nan 8.370 nan 0.000 0.524 234 T N -0.362 114.228 114.554 0.060 0.000 2.929 234 T HA 0.158 4.508 4.350 -0.000 0.000 0.284 234 T C 0.311 175.043 174.700 0.054 0.000 1.014 234 T CA -0.621 61.510 62.100 0.051 0.000 1.051 234 T CB 1.401 70.318 68.868 0.082 0.000 1.028 234 T HN -0.175 nan 8.240 nan 0.000 0.485 235 D N 1.513 121.935 120.400 0.037 0.000 2.398 235 D HA 0.053 4.693 4.640 -0.000 0.000 0.210 235 D C -0.162 176.168 176.300 0.051 0.000 1.094 235 D CA -0.084 53.941 54.000 0.040 0.000 0.839 235 D CB 0.418 41.232 40.800 0.023 0.000 0.963 235 D HN 0.519 nan 8.370 nan 0.000 0.506 236 D N 1.993 122.428 120.400 0.058 0.000 2.441 236 D HA -0.045 4.595 4.640 -0.000 0.000 0.243 236 D C 1.283 177.657 176.300 0.123 0.000 1.257 236 D CA -0.242 53.803 54.000 0.074 0.000 1.027 236 D CB 0.497 41.327 40.800 0.049 0.000 1.084 236 D HN -0.053 nan 8.370 nan 0.000 0.514 237 L N 3.569 124.845 121.223 0.088 0.000 2.131 237 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 237 L C 2.277 179.191 176.870 0.072 0.000 1.092 237 L CA 1.976 56.863 54.840 0.079 0.000 0.759 237 L CB -0.748 41.350 42.059 0.065 0.000 0.903 237 L HN 0.466 nan 8.230 nan 0.000 0.435 238 S N -1.720 114.028 115.700 0.080 0.000 2.399 238 S HA -0.286 4.184 4.470 -0.000 0.000 0.231 238 S C 2.106 176.753 174.600 0.078 0.000 1.022 238 S CA 1.105 59.345 58.200 0.067 0.000 0.983 238 S CB -1.191 62.048 63.200 0.065 0.000 0.803 238 S HN 0.612 nan 8.310 nan 0.000 0.480 239 Y N 2.815 123.107 120.300 -0.014 0.000 2.114 239 Y HA -0.029 4.521 4.550 -0.000 0.000 0.284 239 Y C 1.944 177.817 175.900 -0.045 0.000 1.143 239 Y CA 1.513 59.597 58.100 -0.027 0.000 1.135 239 Y CB -0.581 37.866 38.460 -0.022 0.000 0.980 239 Y HN 0.223 nan 8.280 nan 0.000 0.499 240 L N -0.074 121.030 121.223 -0.199 0.000 2.046 240 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 240 L C 2.652 179.349 176.870 -0.288 0.000 1.077 240 L CA 2.008 56.661 54.840 -0.311 0.000 0.747 240 L CB -1.420 40.568 42.059 -0.118 0.000 0.896 240 L HN 0.415 nan 8.230 nan 0.000 0.432 241 T N -2.241 112.198 114.554 -0.192 0.000 2.821 241 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 241 T C 1.982 176.495 174.700 -0.311 0.000 1.046 241 T CA 0.914 62.841 62.100 -0.287 0.000 1.139 241 T CB -0.365 68.484 68.868 -0.030 0.000 0.871 241 T HN 0.299 nan 8.240 nan 0.000 0.454 242 A N 1.343 124.063 122.820 -0.166 0.000 1.972 242 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 242 A C 2.404 179.911 177.584 -0.129 0.000 1.169 242 A CA 1.192 53.165 52.037 -0.107 0.000 0.635 242 A CB -0.822 18.151 19.000 -0.044 0.000 0.810 242 A HN 0.549 nan 8.150 nan 0.000 0.446 243 L N -1.105 119.991 121.223 -0.212 0.000 2.095 243 L HA -0.087 4.253 4.340 -0.000 0.000 0.204 243 L C 3.078 179.911 176.870 -0.062 0.000 1.080 243 L CA 0.909 55.668 54.840 -0.136 0.000 0.759 243 L CB -0.461 41.410 42.059 -0.313 0.000 0.914 243 L HN 0.398 nan 8.230 nan 0.000 0.439 244 A N 0.053 122.703 122.820 -0.283 0.000 1.933 244 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 244 A C 2.448 179.818 177.584 -0.355 0.000 1.175 244 A CA 1.706 53.512 52.037 -0.385 0.000 0.628 244 A CB -0.679 17.871 19.000 -0.750 0.000 0.814 244 A HN 0.401 nan 8.150 nan 0.000 0.444 245 A N -0.504 122.079 122.820 -0.394 0.000 2.067 245 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 245 A C 2.104 179.691 177.584 0.004 0.000 1.158 245 A CA 1.249 53.246 52.037 -0.066 0.000 0.661 245 A CB -0.331 18.675 19.000 0.010 0.000 0.801 245 A HN 0.538 nan 8.150 nan 0.000 0.452 246 R N -1.622 118.881 120.500 0.004 0.000 2.310 246 R HA 0.218 4.558 4.340 -0.000 0.000 0.202 246 R C 1.255 177.498 176.300 -0.095 0.000 0.933 246 R CA 0.593 56.710 56.100 0.028 0.000 1.054 246 R CB 0.072 30.470 30.300 0.163 0.000 0.985 246 R HN 0.640 nan 8.270 nan 0.000 0.489 247 G N -0.557 108.181 108.800 -0.105 0.000 2.179 247 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 247 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 247 G C -0.261 174.479 174.900 -0.266 0.000 0.990 247 G CA -0.601 44.398 45.100 -0.169 0.000 0.646 247 G HN 0.190 nan 8.290 nan 0.000 0.517 248 Y N 0.648 120.913 120.300 -0.057 0.000 2.597 248 Y HA 0.458 5.008 4.550 -0.000 0.000 0.336 248 Y C 1.571 177.411 175.900 -0.101 0.000 1.216 248 Y CA -0.088 57.972 58.100 -0.065 0.000 1.463 248 Y CB 0.424 38.839 38.460 -0.075 0.000 1.303 248 Y HN 0.171 nan 8.280 nan 0.000 0.576 249 L N 4.565 125.799 121.223 0.019 0.000 2.397 249 L HA 0.182 4.522 4.340 -0.000 0.000 0.271 249 L C -0.482 176.333 176.870 -0.091 0.000 1.148 249 L CA -0.346 54.428 54.840 -0.110 0.000 0.825 249 L CB 0.426 42.280 42.059 -0.342 0.000 1.117 249 L HN 0.445 nan 8.230 nan 0.000 0.456 250 I N 2.497 123.000 120.570 -0.113 0.000 2.355 250 I HA 0.268 4.438 4.170 -0.000 0.000 0.288 250 I C 0.601 176.660 176.117 -0.096 0.000 0.999 250 I CA -0.261 60.981 61.300 -0.097 0.000 1.163 250 I CB 1.221 39.165 38.000 -0.093 0.000 1.316 250 I HN 0.541 nan 8.210 nan 0.000 0.454 251 G N 7.373 116.123 108.800 -0.084 0.000 2.393 251 G HA2 0.529 4.489 3.960 -0.000 0.000 0.311 251 G HA3 0.529 4.489 3.960 -0.000 0.000 0.311 251 G C -0.246 174.643 174.900 -0.017 0.000 1.067 251 G CA -0.391 44.665 45.100 -0.073 0.000 1.000 251 G HN 0.535 nan 8.290 nan 0.000 0.422 252 L N 3.480 124.704 121.223 0.002 0.000 2.407 252 L HA 0.267 4.607 4.340 -0.000 0.000 0.261 252 L C 0.192 177.101 176.870 0.065 0.000 1.108 252 L CA -0.556 54.312 54.840 0.047 0.000 0.995 252 L CB 0.871 42.959 42.059 0.047 0.000 1.349 252 L HN 0.713 nan 8.230 nan 0.000 0.423 253 D N -1.377 119.080 120.400 0.094 0.000 2.500 253 D HA -0.038 4.602 4.640 -0.000 0.000 0.217 253 D C 0.809 177.132 176.300 0.038 0.000 1.159 253 D CA -0.002 54.014 54.000 0.026 0.000 0.828 253 D CB 0.311 41.031 40.800 -0.134 0.000 1.039 253 D HN 0.458 nan 8.370 nan 0.000 0.512 254 H N 0.520 119.487 119.070 -0.171 0.000 2.674 254 H HA 0.309 4.865 4.556 -0.000 0.000 0.235 254 H C 0.777 176.051 175.328 -0.090 0.000 1.330 254 H CA -0.812 55.045 56.048 -0.319 0.000 1.052 254 H CB -0.450 28.710 29.762 -1.002 0.000 1.954 254 H HN -0.128 nan 8.280 nan 0.000 0.566 255 I N 1.508 122.134 120.570 0.093 0.000 2.194 255 I HA -0.116 4.054 4.170 -0.000 0.000 0.246 255 I C -0.769 175.420 176.117 0.121 0.000 1.093 255 I CA 0.449 61.839 61.300 0.151 0.000 1.355 255 I CB -2.025 36.155 38.000 0.301 0.000 1.046 255 I HN 0.269 nan 8.210 nan 0.000 0.413 256 P HA -0.077 nan 4.420 nan 0.000 0.249 256 P C -0.027 177.287 177.300 0.024 0.000 1.229 256 P CA 0.256 63.044 63.100 -0.521 0.000 0.788 256 P CB -0.371 30.571 31.700 -1.263 0.000 1.072 257 Y N 0.888 121.168 120.300 -0.034 0.000 2.637 257 Y HA 0.351 4.901 4.550 -0.000 0.000 0.350 257 Y C 1.013 176.916 175.900 0.004 0.000 1.069 257 Y CA -0.062 58.055 58.100 0.029 0.000 1.397 257 Y CB 0.045 38.531 38.460 0.044 0.000 1.163 257 Y HN -0.129 nan 8.280 nan 0.000 0.527 258 S N 1.718 117.486 115.700 0.113 0.000 2.546 258 S HA 0.700 5.170 4.470 -0.000 0.000 0.272 258 S C 0.089 174.721 174.600 0.052 0.000 1.140 258 S CA -0.174 58.076 58.200 0.084 0.000 0.920 258 S CB 0.996 64.257 63.200 0.102 0.000 1.083 258 S HN 0.631 nan 8.310 nan 0.000 0.476 259 A N 4.449 127.296 122.820 0.046 0.000 2.345 259 A HA 0.429 4.749 4.320 -0.000 0.000 0.225 259 A C 0.531 178.136 177.584 0.035 0.000 1.243 259 A CA -0.220 51.839 52.037 0.037 0.000 0.875 259 A CB -0.486 18.537 19.000 0.037 0.000 0.929 259 A HN 0.808 nan 8.150 nan 0.000 0.502 260 I N 0.627 121.219 120.570 0.038 0.000 2.845 260 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 260 I C 1.543 177.681 176.117 0.034 0.000 1.202 260 I CA 1.580 62.899 61.300 0.032 0.000 1.406 260 I CB 0.057 38.073 38.000 0.028 0.000 1.383 260 I HN 0.484 nan 8.210 nan 0.000 0.549 261 G N 5.037 113.854 108.800 0.028 0.000 2.232 261 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.226 261 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.226 261 G C 0.530 175.445 174.900 0.025 0.000 0.996 261 G CA -0.115 45.001 45.100 0.027 0.000 0.626 261 G HN 0.536 nan 8.290 nan 0.000 0.509 262 L N 0.331 121.570 121.223 0.026 0.000 2.766 262 L HA 0.315 4.655 4.340 -0.000 0.000 0.242 262 L C 1.974 178.857 176.870 0.022 0.000 1.136 262 L CA 0.280 55.135 54.840 0.024 0.000 0.933 262 L CB 0.320 42.395 42.059 0.026 0.000 1.241 262 L HN 0.115 nan 8.230 nan 0.000 0.522 263 E N 1.114 121.327 120.200 0.022 0.000 2.339 263 E HA -0.268 4.082 4.350 -0.000 0.000 0.201 263 E C 1.303 177.915 176.600 0.019 0.000 1.015 263 E CA 1.667 58.080 56.400 0.021 0.000 0.841 263 E CB -0.183 29.528 29.700 0.018 0.000 0.754 263 E HN 0.651 nan 8.360 nan 0.000 0.508 264 D N -0.634 119.776 120.400 0.016 0.000 2.355 264 D HA -0.109 4.531 4.640 -0.000 0.000 0.218 264 D C 0.318 176.625 176.300 0.012 0.000 1.004 264 D CA 0.108 54.115 54.000 0.012 0.000 0.880 264 D CB -0.004 40.802 40.800 0.010 0.000 0.911 264 D HN -0.091 nan 8.370 nan 0.000 0.528 265 N N 0.359 119.069 118.700 0.016 0.000 2.527 265 N HA 0.309 5.049 4.740 -0.000 0.000 0.236 265 N C 0.509 176.035 175.510 0.026 0.000 0.999 265 N CA -0.185 52.876 53.050 0.017 0.000 0.935 265 N CB 1.362 39.861 38.487 0.019 0.000 1.132 265 N HN 0.118 nan 8.380 nan 0.000 0.511 266 A N 2.610 125.443 122.820 0.021 0.000 2.016 266 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 266 A C 2.076 179.692 177.584 0.053 0.000 1.162 266 A CA 1.488 53.543 52.037 0.029 0.000 0.662 266 A CB -0.436 18.573 19.000 0.016 0.000 0.812 266 A HN 0.727 nan 8.150 nan 0.000 0.450 267 S N 0.240 115.966 115.700 0.043 0.000 2.387 267 S HA 0.073 4.543 4.470 -0.000 0.000 0.226 267 S C 2.087 176.815 174.600 0.214 0.000 1.026 267 S CA 1.238 59.489 58.200 0.085 0.000 0.972 267 S CB -0.533 62.630 63.200 -0.062 0.000 0.814 267 S HN 0.792 nan 8.310 nan 0.000 0.477 268 A N 1.595 124.489 122.820 0.124 0.000 1.898 268 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 268 A C 2.491 180.122 177.584 0.079 0.000 1.181 268 A CA 1.894 53.990 52.037 0.099 0.000 0.620 268 A CB -1.418 17.613 19.000 0.051 0.000 0.819 268 A HN 0.670 nan 8.150 nan 0.000 0.442 269 S N -0.074 115.669 115.700 0.072 0.000 2.368 269 S HA -0.041 4.428 4.470 -0.000 0.000 0.225 269 S C 2.146 176.792 174.600 0.077 0.000 1.030 269 S CA 1.615 59.853 58.200 0.063 0.000 0.999 269 S CB -0.488 62.742 63.200 0.049 0.000 0.844 269 S HN 0.848 nan 8.310 nan 0.000 0.459 270 A N 0.868 123.749 122.820 0.102 0.000 1.969 270 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 270 A C 2.148 179.795 177.584 0.104 0.000 1.169 270 A CA 1.498 53.602 52.037 0.111 0.000 0.635 270 A CB -0.655 18.432 19.000 0.145 0.000 0.810 270 A HN 0.600 nan 8.150 nan 0.000 0.445 271 L N -0.930 120.341 121.223 0.081 0.000 2.102 271 L HA 0.141 4.481 4.340 -0.000 0.000 0.202 271 L C 2.035 178.978 176.870 0.122 0.000 1.076 271 L CA 1.572 56.404 54.840 -0.014 0.000 0.761 271 L CB -0.268 41.633 42.059 -0.264 0.000 0.921 271 L HN 0.323 nan 8.230 nan 0.000 0.444 272 L N -0.606 120.672 121.223 0.093 0.000 2.354 272 L HA 0.383 4.723 4.340 -0.000 0.000 0.212 272 L C 1.064 178.016 176.870 0.137 0.000 1.091 272 L CA 0.261 55.182 54.840 0.136 0.000 0.828 272 L CB -0.729 41.339 42.059 0.015 0.000 0.973 272 L HN 0.475 nan 8.230 nan 0.000 0.461 273 G N 1.294 110.148 108.800 0.090 0.000 2.746 273 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.685 273 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.685 273 G C -0.033 174.893 174.900 0.044 0.000 1.350 273 G CA -0.120 45.015 45.100 0.058 0.000 0.837 273 G HN 0.362 nan 8.290 nan 0.000 0.564 274 I N -2.438 118.150 120.570 0.029 0.000 3.856 274 I HA 0.510 4.680 4.170 -0.000 0.000 0.330 274 I C 0.722 176.846 176.117 0.011 0.000 1.546 274 I CA -0.726 60.587 61.300 0.022 0.000 1.132 274 I CB 0.149 38.160 38.000 0.018 0.000 1.157 274 I HN 0.333 nan 8.210 nan 0.000 0.440 275 R N 1.980 122.484 120.500 0.007 0.000 2.410 275 R HA 0.400 4.740 4.340 -0.000 0.000 0.288 275 R C 0.650 176.948 176.300 -0.003 0.000 1.051 275 R CA -0.174 55.921 56.100 -0.007 0.000 1.021 275 R CB 1.291 31.581 30.300 -0.016 0.000 1.032 275 R HN 0.503 nan 8.270 nan 0.000 0.481 276 S N 2.775 118.455 115.700 -0.034 0.000 2.600 276 S HA 0.005 4.475 4.470 -0.000 0.000 0.265 276 S C 1.335 175.923 174.600 -0.020 0.000 1.325 276 S CA -0.835 57.331 58.200 -0.055 0.000 1.002 276 S CB 0.467 63.561 63.200 -0.176 0.000 0.921 276 S HN 0.933 nan 8.310 nan 0.000 0.554 277 W N 1.208 122.488 121.300 -0.034 0.000 2.374 277 W HA -0.161 4.499 4.660 -0.000 0.000 0.288 277 W C 1.106 177.560 176.519 -0.108 0.000 1.218 277 W CA 1.020 58.351 57.345 -0.023 0.000 1.245 277 W CB -0.930 28.577 29.460 0.078 0.000 1.126 277 W HN 0.672 nan 8.180 nan 0.000 0.545 278 Q N 1.247 120.498 119.800 -0.915 0.000 2.084 278 Q HA -0.121 4.218 4.340 -0.000 0.000 0.202 278 Q C 2.359 178.183 176.000 -0.293 0.000 0.978 278 Q CA 3.210 58.417 55.803 -0.994 0.000 0.844 278 Q CB -0.899 27.198 28.738 -1.069 0.000 0.898 278 Q HN 0.137 nan 8.270 nan 0.000 0.426 279 T N 0.497 114.944 114.554 -0.179 0.000 2.746 279 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 279 T C 1.647 176.349 174.700 0.004 0.000 1.039 279 T CA 1.318 63.386 62.100 -0.052 0.000 1.142 279 T CB -0.120 68.719 68.868 -0.047 0.000 0.866 279 T HN 0.248 nan 8.240 nan 0.000 0.444 280 R N 1.061 121.570 120.500 0.015 0.000 2.070 280 R HA 0.039 4.379 4.340 -0.000 0.000 0.233 280 R C 2.882 179.244 176.300 0.103 0.000 1.137 280 R CA 1.340 57.468 56.100 0.048 0.000 0.945 280 R CB -0.595 29.734 30.300 0.048 0.000 0.845 280 R HN 0.351 nan 8.270 nan 0.000 0.430 281 A N 1.427 124.339 122.820 0.153 0.000 1.940 281 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 281 A C 2.188 179.926 177.584 0.256 0.000 1.176 281 A CA 1.231 53.407 52.037 0.233 0.000 0.631 281 A CB -0.592 18.577 19.000 0.281 0.000 0.814 281 A HN 0.203 nan 8.150 nan 0.000 0.446 282 L N -0.655 120.704 121.223 0.228 0.000 2.265 282 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 282 L C 2.318 179.260 176.870 0.120 0.000 1.117 282 L CA 0.613 55.569 54.840 0.194 0.000 0.782 282 L CB -0.462 41.688 42.059 0.153 0.000 0.914 282 L HN 0.402 nan 8.230 nan 0.000 0.441 283 L N -0.481 120.803 121.223 0.101 0.000 2.131 283 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 283 L C 2.406 179.326 176.870 0.083 0.000 1.092 283 L CA 1.242 56.131 54.840 0.081 0.000 0.759 283 L CB -0.442 41.658 42.059 0.069 0.000 0.903 283 L HN 0.233 nan 8.230 nan 0.000 0.435 284 I N 0.011 120.640 120.570 0.100 0.000 2.179 284 I HA -0.329 3.840 4.170 -0.000 0.000 0.242 284 I C 2.717 178.882 176.117 0.080 0.000 1.088 284 I CA 1.510 62.864 61.300 0.090 0.000 1.357 284 I CB -0.396 37.669 38.000 0.109 0.000 1.051 284 I HN 0.238 nan 8.210 nan 0.000 0.409 285 K N 1.472 121.925 120.400 0.089 0.000 2.057 285 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 285 K C 2.232 178.861 176.600 0.050 0.000 1.049 285 K CA 1.486 57.807 56.287 0.058 0.000 0.931 285 K CB -0.130 32.397 32.500 0.045 0.000 0.714 285 K HN 0.293 nan 8.250 nan 0.000 0.440 286 A N 1.398 124.255 122.820 0.061 0.000 1.877 286 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 286 A C 2.139 179.769 177.584 0.076 0.000 1.186 286 A CA 1.382 53.455 52.037 0.060 0.000 0.620 286 A CB -0.640 18.397 19.000 0.062 0.000 0.822 286 A HN 0.341 nan 8.150 nan 0.000 0.443 287 L N -0.749 120.528 121.223 0.091 0.000 2.056 287 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 287 L C 2.498 179.443 176.870 0.125 0.000 1.078 287 L CA 1.126 56.050 54.840 0.139 0.000 0.749 287 L CB -0.493 41.636 42.059 0.116 0.000 0.901 287 L HN 0.384 nan 8.230 nan 0.000 0.433 288 I N 0.024 120.636 120.570 0.069 0.000 2.151 288 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 288 I C 2.063 178.177 176.117 -0.005 0.000 1.080 288 I CA 1.424 62.740 61.300 0.027 0.000 1.339 288 I CB -0.368 37.643 38.000 0.019 0.000 1.039 288 I HN 0.280 nan 8.210 nan 0.000 0.409 289 D N 0.217 120.621 120.400 0.008 0.000 2.178 289 D HA -0.151 4.489 4.640 -0.000 0.000 0.202 289 D C 2.124 178.406 176.300 -0.031 0.000 0.974 289 D CA 0.949 54.943 54.000 -0.010 0.000 0.841 289 D CB -0.228 40.575 40.800 0.004 0.000 0.953 289 D HN 0.393 nan 8.370 nan 0.000 0.478 290 Q N -0.583 119.211 119.800 -0.010 0.000 2.482 290 Q HA 0.133 4.473 4.340 -0.000 0.000 0.209 290 Q C 1.162 176.954 176.000 -0.347 0.000 0.961 290 Q CA 0.821 56.592 55.803 -0.054 0.000 0.945 290 Q CB 0.815 29.641 28.738 0.148 0.000 1.012 290 Q HN 0.365 nan 8.270 nan 0.000 0.515 291 G N 0.227 108.830 108.800 -0.328 0.000 2.168 291 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.197 291 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.197 291 G C 0.137 174.718 174.900 -0.532 0.000 0.997 291 G CA -0.299 44.525 45.100 -0.461 0.000 0.658 291 G HN 0.411 nan 8.290 nan 0.000 0.513 292 Y N 0.809 121.103 120.300 -0.010 0.000 2.681 292 Y HA 0.309 4.858 4.550 -0.000 0.000 0.267 292 Y C 2.579 178.468 175.900 -0.019 0.000 1.166 292 Y CA 0.195 58.286 58.100 -0.015 0.000 1.209 292 Y CB -0.139 38.312 38.460 -0.015 0.000 1.161 292 Y HN 0.433 nan 8.280 nan 0.000 0.534 293 M N -0.692 118.939 119.600 0.051 0.000 2.192 293 M HA -0.287 4.192 4.480 -0.000 0.000 0.256 293 M C 1.168 177.485 176.300 0.027 0.000 1.076 293 M CA 2.010 57.329 55.300 0.031 0.000 1.075 293 M CB -0.409 32.191 32.600 0.001 0.000 1.368 293 M HN 0.105 nan 8.290 nan 0.000 0.406 294 K N -0.140 120.281 120.400 0.035 0.000 2.432 294 K HA -0.001 4.319 4.320 -0.000 0.000 0.196 294 K C 1.167 177.774 176.600 0.011 0.000 1.038 294 K CA 0.512 56.809 56.287 0.018 0.000 0.986 294 K CB 0.129 32.639 32.500 0.018 0.000 0.782 294 K HN 0.447 nan 8.250 nan 0.000 0.485 295 Q N 0.146 119.966 119.800 0.033 0.000 2.198 295 Q HA 0.248 4.587 4.340 -0.000 0.000 0.209 295 Q C -0.136 175.836 176.000 -0.046 0.000 0.848 295 Q CA 0.163 55.961 55.803 -0.008 0.000 0.974 295 Q CB 0.475 29.223 28.738 0.017 0.000 1.115 295 Q HN 0.263 nan 8.270 nan 0.000 0.494 296 I N 1.134 121.682 120.570 -0.037 0.000 2.359 296 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 296 I C -0.380 175.684 176.117 -0.090 0.000 0.987 296 I CA -0.593 60.678 61.300 -0.049 0.000 1.225 296 I CB 1.253 39.248 38.000 -0.009 0.000 1.366 296 I HN -0.152 nan 8.210 nan 0.000 0.466 297 L N 6.644 127.799 121.223 -0.113 0.000 2.365 297 L HA 0.675 5.014 4.340 -0.000 0.000 0.273 297 L C -0.771 176.063 176.870 -0.061 0.000 1.000 297 L CA -0.921 53.846 54.840 -0.122 0.000 0.819 297 L CB 2.227 44.157 42.059 -0.214 0.000 1.284 297 L HN 0.263 nan 8.230 nan 0.000 0.418 298 V N 1.256 121.146 119.914 -0.039 0.000 2.769 298 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 298 V C -0.225 175.897 176.094 0.047 0.000 1.061 298 V CA -0.338 61.971 62.300 0.014 0.000 0.931 298 V CB 1.926 33.764 31.823 0.025 0.000 1.010 298 V HN 0.842 nan 8.190 nan 0.000 0.433 299 S N 1.099 116.851 115.700 0.087 0.000 2.661 299 S HA 0.415 4.885 4.470 -0.000 0.000 0.268 299 S C 0.130 174.823 174.600 0.154 0.000 1.162 299 S CA -0.590 57.687 58.200 0.127 0.000 0.817 299 S CB 1.846 65.128 63.200 0.136 0.000 1.141 299 S HN 0.793 nan 8.310 nan 0.000 0.477 300 N N 0.793 119.607 118.700 0.190 0.000 2.414 300 N HA 0.061 4.801 4.740 -0.000 0.000 0.177 300 N C -0.580 175.111 175.510 0.301 0.000 1.062 300 N CA 0.394 53.585 53.050 0.236 0.000 0.890 300 N CB 0.011 38.635 38.487 0.229 0.000 1.070 300 N HN 0.730 nan 8.380 nan 0.000 0.454 301 D N -0.194 120.357 120.400 0.252 0.000 2.800 301 D HA -0.172 4.467 4.640 -0.000 0.000 0.232 301 D C -0.514 176.021 176.300 0.392 0.000 1.137 301 D CA 0.318 54.482 54.000 0.273 0.000 0.718 301 D CB -1.267 39.483 40.800 -0.083 0.000 1.084 301 D HN 0.369 nan 8.370 nan 0.000 0.432 302 W N -0.579 120.763 121.300 0.070 0.000 2.141 302 W HA 0.484 5.144 4.660 -0.000 0.000 0.354 302 W C 0.142 176.543 176.519 -0.196 0.000 1.297 302 W CA -0.439 56.861 57.345 -0.074 0.000 1.380 302 W CB 0.573 29.925 29.460 -0.178 0.000 1.168 302 W HN -0.017 nan 8.180 nan 0.000 0.639 303 L N 1.129 121.891 121.223 -0.767 0.000 2.469 303 L HA 0.340 4.680 4.340 -0.000 0.000 0.256 303 L C -0.143 176.258 176.870 -0.782 0.000 1.006 303 L CA -0.504 53.941 54.840 -0.659 0.000 0.832 303 L CB 1.291 42.984 42.059 -0.609 0.000 1.421 303 L HN 0.263 nan 8.230 nan 0.000 0.410 304 F N -0.425 119.502 119.950 -0.039 0.000 2.731 304 F HA 0.588 5.115 4.527 -0.000 0.000 0.298 304 F C 1.123 176.939 175.800 0.027 0.000 1.106 304 F CA -0.320 57.690 58.000 0.016 0.000 1.329 304 F CB 0.597 39.620 39.000 0.038 0.000 1.100 304 F HN 0.490 nan 8.300 nan 0.000 0.592 305 G N -0.715 108.164 108.800 0.132 0.000 2.690 305 G HA2 0.508 4.468 3.960 -0.000 0.000 0.293 305 G HA3 0.508 4.468 3.960 -0.000 0.000 0.293 305 G C -2.077 173.009 174.900 0.309 0.000 1.399 305 G CA -0.377 44.885 45.100 0.270 0.000 0.890 305 G HN -0.163 nan 8.290 nan 0.000 0.485 306 F N 2.226 122.343 119.950 0.278 0.000 3.167 306 F HA 0.344 4.871 4.527 -0.000 0.000 0.389 306 F C 0.995 176.903 175.800 0.180 0.000 1.233 306 F CA -1.495 56.568 58.000 0.104 0.000 1.238 306 F CB 1.212 40.187 39.000 -0.041 0.000 1.971 306 F HN 0.476 nan 8.300 nan 0.000 0.651 307 S N 0.250 116.149 115.700 0.331 0.000 2.478 307 S HA -0.038 4.432 4.470 -0.000 0.000 0.222 307 S C 1.401 175.799 174.600 -0.336 0.000 1.008 307 S CA 0.766 58.851 58.200 -0.192 0.000 0.928 307 S CB -0.318 62.425 63.200 -0.761 0.000 0.781 307 S HN 0.459 nan 8.310 nan 0.000 0.518 308 S N 0.029 115.671 115.700 -0.097 0.000 2.851 308 S HA 0.312 4.782 4.470 -0.000 0.000 0.227 308 S C -0.217 174.379 174.600 -0.005 0.000 0.958 308 S CA -0.520 57.671 58.200 -0.015 0.000 0.990 308 S CB -0.805 62.553 63.200 0.263 0.000 0.790 308 S HN 0.626 nan 8.310 nan 0.000 0.509 309 Y N 0.414 120.440 120.300 -0.457 0.000 3.071 309 Y HA 0.532 5.082 4.550 -0.000 0.000 0.301 309 Y C -0.255 175.446 175.900 -0.331 0.000 1.657 309 Y CA -1.620 56.192 58.100 -0.480 0.000 1.078 309 Y CB 0.739 38.620 38.460 -0.965 0.000 1.465 309 Y HN 0.105 nan 8.280 nan 0.000 0.496 310 V N 0.487 119.961 119.914 -0.733 0.000 3.139 310 V HA 0.286 4.406 4.120 -0.000 0.000 0.307 310 V C 0.024 176.009 176.094 -0.181 0.000 1.095 310 V CA -0.431 61.613 62.300 -0.427 0.000 1.160 310 V CB -0.074 31.472 31.823 -0.461 0.000 1.003 310 V HN 0.725 nan 8.190 nan 0.000 0.489 311 T N 4.367 118.864 114.554 -0.095 0.000 2.916 311 T HA 0.180 4.530 4.350 -0.000 0.000 0.303 311 T C 0.908 175.557 174.700 -0.086 0.000 1.025 311 T CA 0.832 62.906 62.100 -0.043 0.000 1.142 311 T CB -0.116 68.726 68.868 -0.044 0.000 0.947 311 T HN 1.037 nan 8.240 nan 0.000 0.544 312 N N -0.066 118.572 118.700 -0.104 0.000 2.965 312 N HA -0.174 4.566 4.740 -0.000 0.000 0.232 312 N C 0.871 176.362 175.510 -0.033 0.000 0.913 312 N CA 0.690 53.694 53.050 -0.077 0.000 0.981 312 N CB -1.403 37.041 38.487 -0.071 0.000 1.077 312 N HN 0.601 nan 8.380 nan 0.000 0.589 313 I N 0.882 121.436 120.570 -0.027 0.000 2.248 313 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 313 I C 2.366 178.497 176.117 0.025 0.000 1.107 313 I CA 1.804 63.110 61.300 0.009 0.000 1.373 313 I CB -0.140 37.879 38.000 0.030 0.000 1.055 313 I HN 0.324 nan 8.210 nan 0.000 0.418 314 M N 0.257 119.886 119.600 0.048 0.000 2.108 314 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 314 M C 1.676 178.002 176.300 0.044 0.000 1.066 314 M CA 1.899 57.227 55.300 0.047 0.000 1.107 314 M CB -0.542 32.116 32.600 0.098 0.000 1.356 314 M HN 0.226 nan 8.290 nan 0.000 0.406 315 D N -0.757 119.665 120.400 0.038 0.000 2.097 315 D HA -0.136 4.503 4.640 -0.000 0.000 0.195 315 D C 2.135 178.465 176.300 0.051 0.000 0.989 315 D CA 1.594 55.622 54.000 0.046 0.000 0.827 315 D CB -0.630 40.181 40.800 0.019 0.000 0.966 315 D HN 0.241 nan 8.370 nan 0.000 0.456 316 V N 1.100 121.033 119.914 0.031 0.000 2.250 316 V HA -0.314 3.805 4.120 -0.000 0.000 0.250 316 V C 2.531 178.656 176.094 0.050 0.000 1.060 316 V CA 1.748 64.067 62.300 0.032 0.000 1.030 316 V CB -0.495 31.339 31.823 0.018 0.000 0.643 316 V HN 0.233 nan 8.190 nan 0.000 0.445 317 M N -0.527 119.093 119.600 0.034 0.000 2.132 317 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 317 M C 1.920 178.420 176.300 0.333 0.000 1.065 317 M CA 1.714 57.060 55.300 0.076 0.000 1.122 317 M CB -0.625 31.828 32.600 -0.245 0.000 1.365 317 M HN 0.322 nan 8.290 nan 0.000 0.411 318 D N 0.042 120.609 120.400 0.278 0.000 2.264 318 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 318 D C 2.002 178.404 176.300 0.169 0.000 0.966 318 D CA 0.994 55.186 54.000 0.319 0.000 0.864 318 D CB -0.141 40.810 40.800 0.252 0.000 0.933 318 D HN 0.343 nan 8.370 nan 0.000 0.499 319 R N 0.047 120.619 120.500 0.121 0.000 2.093 319 R HA -0.006 4.334 4.340 -0.000 0.000 0.224 319 R C 2.402 178.738 176.300 0.060 0.000 1.101 319 R CA 0.341 56.486 56.100 0.074 0.000 0.979 319 R CB -0.187 30.147 30.300 0.056 0.000 0.877 319 R HN 0.009 nan 8.270 nan 0.000 0.441 320 V N 1.318 121.276 119.914 0.074 0.000 2.287 320 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 320 V C 0.685 176.762 176.094 -0.028 0.000 1.053 320 V CA 1.529 63.855 62.300 0.043 0.000 1.027 320 V CB -0.465 31.393 31.823 0.059 0.000 0.646 320 V HN 0.363 nan 8.190 nan 0.000 0.447 321 N N -0.494 118.166 118.700 -0.067 0.000 2.762 321 N HA 0.274 5.013 4.740 -0.000 0.000 0.252 321 N C -2.211 173.131 175.510 -0.280 0.000 1.269 321 N CA -1.776 51.076 53.050 -0.331 0.000 0.799 321 N CB 1.679 39.658 38.487 -0.847 0.000 1.173 321 N HN -0.001 nan 8.380 nan 0.000 0.516 322 P HA -0.022 nan 4.420 nan 0.000 0.222 322 P C 0.364 177.605 177.300 -0.099 0.000 1.147 322 P CA 0.867 63.935 63.100 -0.054 0.000 0.790 322 P CB 0.392 32.083 31.700 -0.015 0.000 0.780 323 D N -0.980 119.327 120.400 -0.155 0.000 2.310 323 D HA -0.026 4.613 4.640 -0.000 0.000 0.212 323 D C 1.700 177.846 176.300 -0.256 0.000 0.965 323 D CA 1.352 55.267 54.000 -0.141 0.000 0.879 323 D CB -0.529 40.232 40.800 -0.065 0.000 0.921 323 D HN 0.087 nan 8.370 nan 0.000 0.510 324 G N 1.514 109.954 108.800 -0.601 0.000 2.634 324 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.309 324 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.309 324 G C 1.062 175.581 174.900 -0.636 0.000 1.265 324 G CA 0.628 45.085 45.100 -1.072 0.000 0.998 324 G HN 0.277 nan 8.290 nan 0.000 0.551 325 M N 1.322 120.797 119.600 -0.207 0.000 2.549 325 M HA 0.091 4.570 4.480 -0.000 0.000 0.260 325 M C 2.637 178.943 176.300 0.010 0.000 1.076 325 M CA 1.446 56.749 55.300 0.005 0.000 1.090 325 M CB -0.169 32.517 32.600 0.143 0.000 1.418 325 M HN 0.660 nan 8.290 nan 0.000 0.486 326 A N -0.782 122.015 122.820 -0.039 0.000 2.251 326 A HA -0.029 4.291 4.320 -0.000 0.000 0.209 326 A C 1.677 179.220 177.584 -0.068 0.000 1.187 326 A CA 0.037 52.041 52.037 -0.055 0.000 0.823 326 A CB -0.774 18.185 19.000 -0.067 0.000 0.846 326 A HN 0.495 nan 8.150 nan 0.000 0.486 327 F N 0.765 120.572 119.950 -0.237 0.000 2.134 327 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 327 F C 1.872 177.546 175.800 -0.211 0.000 1.097 327 F CA 1.510 59.334 58.000 -0.293 0.000 1.264 327 F CB 0.013 38.773 39.000 -0.400 0.000 1.001 327 F HN 0.192 nan 8.300 nan 0.000 0.479 328 I N 1.787 122.359 120.570 0.003 0.000 2.099 328 I HA -0.206 3.964 4.170 -0.000 0.000 0.239 328 I C -0.286 175.810 176.117 -0.034 0.000 1.066 328 I CA 1.872 63.181 61.300 0.015 0.000 1.324 328 I CB -2.813 35.302 38.000 0.192 0.000 1.037 328 I HN 0.120 nan 8.210 nan 0.000 0.401 329 P HA -0.099 nan 4.420 nan 0.000 0.219 329 P C 2.177 179.397 177.300 -0.133 0.000 1.150 329 P CA 1.416 64.473 63.100 -0.071 0.000 0.814 329 P CB 0.006 31.544 31.700 -0.269 0.000 0.787 330 L N -1.555 119.549 121.223 -0.199 0.000 2.209 330 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 330 L C 2.728 179.432 176.870 -0.277 0.000 1.094 330 L CA 1.008 55.724 54.840 -0.206 0.000 0.790 330 L CB -0.300 41.644 42.059 -0.192 0.000 0.932 330 L HN -0.084 nan 8.230 nan 0.000 0.447 331 R N -1.352 118.847 120.500 -0.502 0.000 2.302 331 R HA 0.138 4.478 4.340 -0.000 0.000 0.187 331 R C 2.086 178.103 176.300 -0.472 0.000 0.904 331 R CA 0.543 56.249 56.100 -0.657 0.000 1.105 331 R CB -0.267 29.201 30.300 -1.387 0.000 1.239 331 R HN 0.054 nan 8.270 nan 0.000 0.620 332 V N 2.129 121.718 119.914 -0.542 0.000 2.307 332 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 332 V C 2.468 178.627 176.094 0.108 0.000 1.045 332 V CA 1.565 63.789 62.300 -0.126 0.000 1.024 332 V CB -0.391 31.392 31.823 -0.067 0.000 0.651 332 V HN 0.154 nan 8.190 nan 0.000 0.449 333 I N -0.013 120.584 120.570 0.045 0.000 2.252 333 I HA -0.132 4.037 4.170 -0.000 0.000 0.245 333 I C -0.177 175.994 176.117 0.090 0.000 1.102 333 I CA 1.600 62.955 61.300 0.092 0.000 1.385 333 I CB -1.194 36.868 38.000 0.103 0.000 1.064 333 I HN 0.368 nan 8.210 nan 0.000 0.414 334 P HA -0.205 nan 4.420 nan 0.000 0.216 334 P C 1.713 179.094 177.300 0.135 0.000 1.153 334 P CA 1.356 64.500 63.100 0.073 0.000 0.848 334 P CB -0.141 31.586 31.700 0.044 0.000 0.787 335 F N 0.325 120.314 119.950 0.064 0.000 2.091 335 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 335 F C 1.887 177.734 175.800 0.080 0.000 1.103 335 F CA 1.628 59.702 58.000 0.123 0.000 1.228 335 F CB -0.893 38.286 39.000 0.298 0.000 0.984 335 F HN -0.243 nan 8.300 nan 0.000 0.477 336 L N -0.165 121.147 121.223 0.149 0.000 2.072 336 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 336 L C 2.699 179.536 176.870 -0.055 0.000 1.079 336 L CA 1.363 56.206 54.840 0.004 0.000 0.752 336 L CB -0.698 41.432 42.059 0.118 0.000 0.906 336 L HN 0.086 nan 8.230 nan 0.000 0.436 337 R N 0.784 121.280 120.500 -0.006 0.000 2.117 337 R HA -0.258 4.082 4.340 -0.000 0.000 0.243 337 R C 2.193 178.460 176.300 -0.056 0.000 1.143 337 R CA 2.103 58.192 56.100 -0.018 0.000 0.968 337 R CB -0.045 30.259 30.300 0.007 0.000 0.863 337 R HN 0.474 nan 8.270 nan 0.000 0.444 338 E N 0.181 120.330 120.200 -0.086 0.000 2.216 338 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 338 E C 1.108 177.611 176.600 -0.163 0.000 0.988 338 E CA 1.103 57.440 56.400 -0.105 0.000 0.834 338 E CB 0.106 29.756 29.700 -0.084 0.000 0.772 338 E HN 0.038 nan 8.360 nan 0.000 0.479 339 K N 0.081 120.331 120.400 -0.249 0.000 2.525 339 K HA 0.155 4.475 4.320 -0.000 0.000 0.192 339 K C 0.979 177.499 176.600 -0.133 0.000 1.029 339 K CA 0.704 56.846 56.287 -0.242 0.000 1.029 339 K CB 0.387 32.673 32.500 -0.356 0.000 0.814 339 K HN 0.411 nan 8.250 nan 0.000 0.503 340 G N 0.504 109.246 108.800 -0.097 0.000 2.179 340 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 340 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 340 G C 0.103 174.977 174.900 -0.043 0.000 0.990 340 G CA -0.015 45.049 45.100 -0.061 0.000 0.646 340 G HN 0.102 nan 8.290 nan 0.000 0.517 341 V N 2.599 122.488 119.914 -0.042 0.000 2.479 341 V HA 0.344 4.463 4.120 -0.000 0.000 0.281 341 V C -1.258 174.829 176.094 -0.011 0.000 1.031 341 V CA -1.009 61.279 62.300 -0.019 0.000 1.038 341 V CB 0.889 32.709 31.823 -0.004 0.000 0.981 341 V HN 0.170 nan 8.190 nan 0.000 0.478 342 P HA 0.053 nan 4.420 nan 0.000 0.266 342 P C 0.564 177.866 177.300 0.004 0.000 1.195 342 P CA 0.018 63.115 63.100 -0.005 0.000 0.768 342 P CB 0.608 32.304 31.700 -0.007 0.000 0.838 343 Q N 1.915 121.720 119.800 0.008 0.000 2.170 343 Q HA -0.230 4.110 4.340 -0.000 0.000 0.203 343 Q C 1.333 177.344 176.000 0.018 0.000 0.976 343 Q CA 1.834 57.648 55.803 0.019 0.000 0.858 343 Q CB -0.220 28.531 28.738 0.021 0.000 0.907 343 Q HN 0.411 nan 8.270 nan 0.000 0.433 344 E N -0.834 119.372 120.200 0.010 0.000 2.110 344 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 344 E C 1.920 178.521 176.600 0.001 0.000 0.988 344 E CA 1.702 58.106 56.400 0.007 0.000 0.804 344 E CB -0.146 29.556 29.700 0.003 0.000 0.745 344 E HN 0.320 nan 8.360 nan 0.000 0.458 345 T N 0.945 115.499 114.554 -0.001 0.000 2.708 345 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 345 T C 1.807 176.504 174.700 -0.005 0.000 1.037 345 T CA 0.948 63.046 62.100 -0.004 0.000 1.146 345 T CB -0.226 68.640 68.868 -0.003 0.000 0.865 345 T HN 0.089 nan 8.240 nan 0.000 0.435 346 L N 0.650 121.876 121.223 0.005 0.000 2.093 346 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 346 L C 3.014 179.871 176.870 -0.020 0.000 1.085 346 L CA 1.062 55.905 54.840 0.005 0.000 0.755 346 L CB -0.646 41.435 42.059 0.036 0.000 0.904 346 L HN 0.238 nan 8.230 nan 0.000 0.435 347 A N 0.347 123.165 122.820 -0.003 0.000 1.930 347 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 347 A C 2.405 179.964 177.584 -0.042 0.000 1.175 347 A CA 1.518 53.548 52.037 -0.011 0.000 0.627 347 A CB -1.063 17.950 19.000 0.022 0.000 0.815 347 A HN 0.425 nan 8.150 nan 0.000 0.443 348 G N -0.038 108.743 108.800 -0.031 0.000 2.408 348 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 348 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 348 G C 1.491 176.356 174.900 -0.058 0.000 1.150 348 G CA 1.113 46.193 45.100 -0.034 0.000 0.776 348 G HN 0.468 nan 8.290 nan 0.000 0.542 349 I N 1.320 121.849 120.570 -0.069 0.000 2.353 349 I HA -0.091 4.079 4.170 -0.000 0.000 0.248 349 I C 2.923 178.945 176.117 -0.157 0.000 1.119 349 I CA 1.674 62.922 61.300 -0.086 0.000 1.417 349 I CB 0.009 37.972 38.000 -0.061 0.000 1.078 349 I HN 0.309 nan 8.210 nan 0.000 0.421 350 T N -3.508 110.899 114.554 -0.244 0.000 3.037 350 T HA 0.169 4.519 4.350 -0.000 0.000 0.251 350 T C 1.343 175.785 174.700 -0.429 0.000 1.079 350 T CA 0.277 62.072 62.100 -0.507 0.000 1.067 350 T CB 0.304 68.575 68.868 -0.995 0.000 0.948 350 T HN 0.090 nan 8.240 nan 0.000 0.496 351 V N 0.720 120.511 119.914 -0.206 0.000 3.029 351 V HA 0.062 4.181 4.120 -0.000 0.000 0.230 351 V C 2.713 178.781 176.094 -0.044 0.000 1.254 351 V CA 1.056 63.303 62.300 -0.089 0.000 1.276 351 V CB -0.117 31.693 31.823 -0.022 0.000 1.080 351 V HN 0.365 nan 8.190 nan 0.000 0.495 352 T N 1.128 115.658 114.554 -0.039 0.000 2.701 352 T HA -0.134 4.215 4.350 -0.000 0.000 0.263 352 T C 1.782 176.476 174.700 -0.010 0.000 1.040 352 T CA 1.906 63.995 62.100 -0.017 0.000 1.147 352 T CB -0.316 68.543 68.868 -0.014 0.000 0.865 352 T HN 0.329 nan 8.240 nan 0.000 0.426 353 N N 1.599 120.284 118.700 -0.025 0.000 2.084 353 N HA -0.038 4.702 4.740 -0.000 0.000 0.190 353 N C -0.989 174.535 175.510 0.024 0.000 1.030 353 N CA 1.177 54.218 53.050 -0.015 0.000 0.849 353 N CB -1.522 36.933 38.487 -0.053 0.000 1.012 353 N HN 0.330 nan 8.380 nan 0.000 0.423 354 P HA -0.038 nan 4.420 nan 0.000 0.215 354 P C 1.137 178.499 177.300 0.104 0.000 1.157 354 P CA 1.628 64.778 63.100 0.083 0.000 0.863 354 P CB -0.113 31.604 31.700 0.028 0.000 0.787 355 A N 0.074 122.922 122.820 0.047 0.000 1.892 355 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 355 A C 2.340 179.945 177.584 0.036 0.000 1.188 355 A CA 1.908 53.963 52.037 0.031 0.000 0.631 355 A CB -1.248 17.761 19.000 0.014 0.000 0.822 355 A HN 0.062 nan 8.150 nan 0.000 0.447 356 R N -2.417 118.114 120.500 0.052 0.000 2.092 356 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 356 R C 2.021 178.376 176.300 0.092 0.000 1.119 356 R CA 1.414 57.544 56.100 0.051 0.000 0.970 356 R CB -0.397 29.929 30.300 0.043 0.000 0.864 356 R HN 0.612 nan 8.270 nan 0.000 0.440 357 F N 1.260 121.184 119.950 -0.044 0.000 2.113 357 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 357 F C 1.764 177.532 175.800 -0.053 0.000 1.103 357 F CA 1.407 59.377 58.000 -0.050 0.000 1.248 357 F CB -0.148 38.824 39.000 -0.045 0.000 0.999 357 F HN -0.102 nan 8.300 nan 0.000 0.475 358 L N -0.690 120.487 121.223 -0.077 0.000 2.240 358 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 358 L C 1.380 178.152 176.870 -0.163 0.000 1.106 358 L CA 0.467 55.187 54.840 -0.199 0.000 0.793 358 L CB -0.736 41.281 42.059 -0.070 0.000 0.927 358 L HN -0.006 nan 8.230 nan 0.000 0.446 359 S N 0.979 116.621 115.700 -0.096 0.000 2.555 359 S HA 0.077 4.547 4.470 -0.000 0.000 0.293 359 S C -2.182 172.354 174.600 -0.107 0.000 1.248 359 S CA -1.263 56.887 58.200 -0.083 0.000 1.096 359 S CB 0.226 63.396 63.200 -0.050 0.000 0.881 359 S HN -0.085 nan 8.310 nan 0.000 0.498 360 P HA 0.189 nan 4.420 nan 0.000 0.267 360 P C -1.031 176.219 177.300 -0.084 0.000 1.205 360 P CA -0.014 63.021 63.100 -0.108 0.000 0.765 360 P CB 0.705 32.350 31.700 -0.091 0.000 0.828 361 T N 4.419 118.920 114.554 -0.088 0.000 2.985 361 T HA 0.289 4.639 4.350 -0.000 0.000 0.315 361 T C -0.212 174.451 174.700 -0.061 0.000 1.001 361 T CA -0.570 61.490 62.100 -0.067 0.000 1.016 361 T CB 0.298 69.127 68.868 -0.064 0.000 0.993 361 T HN 0.016 nan 8.240 nan 0.000 0.454 362 L N 2.769 123.963 121.223 -0.047 0.000 2.452 362 L HA 0.405 4.745 4.340 -0.000 0.000 0.267 362 L C 1.179 178.029 176.870 -0.033 0.000 1.188 362 L CA -0.130 54.688 54.840 -0.038 0.000 0.821 362 L CB 0.152 42.193 42.059 -0.030 0.000 1.102 362 L HN 0.543 nan 8.230 nan 0.000 0.470 363 R N 1.179 121.662 120.500 -0.028 0.000 2.774 363 R HA 0.366 4.706 4.340 -0.000 0.000 0.269 363 R C -0.174 176.116 176.300 -0.018 0.000 1.068 363 R CA -0.009 56.077 56.100 -0.023 0.000 1.180 363 R CB 0.621 30.911 30.300 -0.017 0.000 1.077 363 R HN 0.784 nan 8.270 nan 0.000 0.513 364 A N 0.000 122.811 122.820 -0.015 0.000 2.254 364 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 364 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 364 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486