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 2rgj_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIDILIAGAG IGGLSCALAL HQAGIGKVTL LESSSEIRPL GVGINIQPAA DATA SEQUENCE VEALAELGLG PALAATAIPT HELRYIDQSG ATVWSEPRGV EAGNAYPQYS DATA SEQUENCE IHRGELQXIL LAAVRERLGQ QAVRTGLGVE RIEERDGRVL IGARDGHGKP DATA SEQUENCE QALGADVLVG ADGIHSAVRA HLHPDQRPLS HGGITXWRGV TEFDRFLDGK DATA SEQUENCE TXIVANDEHW SRLVAYPISA RHAAEGKSLV NWVCXVPSAA VGQLDNEADW DATA SEQUENCE NRDGRLEDVL PFFADWDLGW FDIRDLLTRN QLILQYPXVD RDPLPHWGRG DATA SEQUENCE RITLLGDAAH LXYPXGANGA SQAILDGIEL AAALARNADV AAALREYEEA DATA SEQUENCE RRPTANKIIL ANREREKEEW AAASRP 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.296 177.300 -0.006 0.000 1.155 4 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 4 P CB 0.000 31.695 31.700 -0.008 0.000 0.726 5 I N -0.089 120.477 120.570 -0.007 0.000 2.440 5 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 5 I C -0.156 175.959 176.117 -0.005 0.000 0.995 5 I CA -0.166 61.132 61.300 -0.004 0.000 1.306 5 I CB 1.818 39.816 38.000 -0.003 0.000 1.407 5 I HN 0.252 nan 8.210 nan 0.000 0.501 6 D N 6.359 126.758 120.400 -0.003 0.000 2.256 6 D HA 0.497 5.137 4.640 -0.000 0.000 0.240 6 D C -0.591 175.707 176.300 -0.003 0.000 1.062 6 D CA -0.360 53.639 54.000 -0.003 0.000 0.832 6 D CB 2.402 43.201 40.800 -0.002 0.000 1.135 6 D HN 0.547 nan 8.370 nan 0.000 0.484 7 I N 1.801 122.369 120.570 -0.004 0.000 2.378 7 I HA 0.188 4.358 4.170 -0.000 0.000 0.291 7 I C -0.604 175.509 176.117 -0.008 0.000 0.992 7 I CA -1.149 60.147 61.300 -0.007 0.000 1.154 7 I CB 1.871 39.864 38.000 -0.011 0.000 1.315 7 I HN 0.206 nan 8.210 nan 0.000 0.448 8 L N 8.179 129.396 121.223 -0.009 0.000 2.282 8 L HA 0.563 4.903 4.340 -0.000 0.000 0.288 8 L C -0.570 176.292 176.870 -0.015 0.000 1.033 8 L CA -0.228 54.605 54.840 -0.011 0.000 0.807 8 L CB 1.163 43.215 42.059 -0.012 0.000 1.209 8 L HN 0.376 nan 8.230 nan 0.000 0.423 9 I N 4.555 125.115 120.570 -0.017 0.000 2.389 9 I HA 0.475 4.645 4.170 -0.000 0.000 0.288 9 I C 0.068 176.173 176.117 -0.020 0.000 0.999 9 I CA -0.659 60.628 61.300 -0.021 0.000 1.129 9 I CB 1.800 39.785 38.000 -0.026 0.000 1.288 9 I HN 0.718 nan 8.210 nan 0.000 0.444 10 A N 5.384 128.192 122.820 -0.019 0.000 2.350 10 A HA 0.706 5.026 4.320 -0.000 0.000 0.293 10 A C 0.542 178.114 177.584 -0.020 0.000 1.231 10 A CA 0.160 52.187 52.037 -0.017 0.000 0.883 10 A CB -0.247 18.745 19.000 -0.014 0.000 1.133 10 A HN 1.107 nan 8.150 nan 0.000 0.533 11 G N 0.782 109.571 108.800 -0.019 0.000 3.367 11 G HA2 0.394 4.354 3.960 -0.000 0.000 0.686 11 G HA3 0.394 4.354 3.960 -0.000 0.000 0.686 11 G C -0.020 174.862 174.900 -0.030 0.000 1.146 11 G CA -0.303 44.784 45.100 -0.022 0.000 0.913 11 G HN 2.031 nan 8.290 nan 0.000 0.554 12 A N 1.768 124.570 122.820 -0.029 0.000 2.842 12 A HA 0.774 5.094 4.320 -0.000 0.000 0.298 12 A C 1.485 179.042 177.584 -0.044 0.000 1.293 12 A CA 1.167 53.184 52.037 -0.034 0.000 0.959 12 A CB -0.227 18.757 19.000 -0.028 0.000 1.119 12 A HN 2.076 nan 8.150 nan 0.000 0.564 13 G N -0.172 108.595 108.800 -0.054 0.000 2.580 13 G HA2 0.331 4.291 3.960 -0.000 0.000 0.225 13 G HA3 0.331 4.291 3.960 -0.000 0.000 0.225 13 G C 0.990 175.842 174.900 -0.079 0.000 1.521 13 G CA -0.166 44.888 45.100 -0.076 0.000 1.068 13 G HN 0.201 nan 8.290 nan 0.000 0.564 14 I N 0.521 121.031 120.570 -0.101 0.000 2.333 14 I HA 0.003 4.173 4.170 -0.000 0.000 0.246 14 I C 2.936 179.012 176.117 -0.067 0.000 1.106 14 I CA 1.196 62.443 61.300 -0.088 0.000 1.411 14 I CB -0.230 37.703 38.000 -0.112 0.000 1.082 14 I HN 0.525 nan 8.210 nan 0.000 0.420 15 G N 0.253 109.010 108.800 -0.071 0.000 2.402 15 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 15 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 15 G C 1.689 176.560 174.900 -0.049 0.000 1.162 15 G CA 0.805 45.873 45.100 -0.054 0.000 0.777 15 G HN 0.485 nan 8.290 nan 0.000 0.539 16 G N 0.839 109.607 108.800 -0.054 0.000 2.414 16 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.215 16 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.215 16 G C 1.818 176.693 174.900 -0.041 0.000 1.188 16 G CA 0.655 45.728 45.100 -0.046 0.000 0.783 16 G HN 0.393 nan 8.290 nan 0.000 0.537 17 L N 0.666 121.863 121.223 -0.043 0.000 2.046 17 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 17 L C 3.129 179.975 176.870 -0.039 0.000 1.077 17 L CA 1.413 56.227 54.840 -0.042 0.000 0.747 17 L CB -0.332 41.700 42.059 -0.045 0.000 0.896 17 L HN 0.377 nan 8.230 nan 0.000 0.432 18 S N -1.125 114.552 115.700 -0.037 0.000 2.368 18 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 18 S C 2.258 176.844 174.600 -0.024 0.000 1.029 18 S CA 1.322 59.504 58.200 -0.030 0.000 0.988 18 S CB -0.470 62.714 63.200 -0.027 0.000 0.838 18 S HN 0.579 nan 8.310 nan 0.000 0.462 19 C N 1.660 120.943 119.300 -0.028 0.000 2.413 19 C HA 0.034 4.494 4.460 -0.000 0.000 0.276 19 C C 2.973 177.949 174.990 -0.024 0.000 1.248 19 C CA 1.224 60.222 59.018 -0.034 0.000 1.742 19 C CB -1.797 25.913 27.740 -0.051 0.000 2.017 19 C HN 0.686 nan 8.230 nan 0.000 0.481 20 A N 0.142 122.950 122.820 -0.021 0.000 1.883 20 A HA -0.084 4.235 4.320 -0.000 0.000 0.217 20 A C 2.038 179.632 177.584 0.016 0.000 1.186 20 A CA 1.778 53.812 52.037 -0.005 0.000 0.624 20 A CB -0.746 18.244 19.000 -0.017 0.000 0.822 20 A HN 0.527 nan 8.150 nan 0.000 0.444 21 L N -0.438 120.780 121.223 -0.008 0.000 2.042 21 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 21 L C 2.998 179.893 176.870 0.042 0.000 1.076 21 L CA 1.979 56.817 54.840 -0.003 0.000 0.749 21 L CB -1.445 40.595 42.059 -0.031 0.000 0.893 21 L HN 0.434 nan 8.230 nan 0.000 0.432 22 A N -1.107 121.724 122.820 0.019 0.000 1.902 22 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 22 A C 2.175 179.776 177.584 0.029 0.000 1.181 22 A CA 1.267 53.315 52.037 0.019 0.000 0.623 22 A CB -0.627 18.373 19.000 0.001 0.000 0.818 22 A HN 0.289 nan 8.150 nan 0.000 0.443 23 L N -0.347 120.891 121.223 0.023 0.000 1.956 23 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 23 L C 2.434 179.331 176.870 0.045 0.000 1.073 23 L CA 2.361 57.212 54.840 0.019 0.000 0.762 23 L CB -1.737 40.328 42.059 0.010 0.000 0.889 23 L HN 0.631 nan 8.230 nan 0.000 0.433 24 H N -0.406 118.653 119.070 -0.020 0.000 2.267 24 H HA -0.298 4.258 4.556 -0.000 0.000 0.291 24 H C 2.289 177.610 175.328 -0.011 0.000 1.094 24 H CA 2.671 58.710 56.048 -0.015 0.000 1.227 24 H CB 0.162 29.915 29.762 -0.015 0.000 1.351 24 H HN 0.350 nan 8.280 nan 0.000 0.483 25 Q N 0.333 120.222 119.800 0.147 0.000 2.096 25 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 25 Q C 2.250 178.253 176.000 0.004 0.000 0.982 25 Q CA 1.971 57.820 55.803 0.076 0.000 0.850 25 Q CB -0.417 28.363 28.738 0.070 0.000 0.901 25 Q HN 0.516 nan 8.270 nan 0.000 0.422 26 A N -0.795 122.025 122.820 0.001 0.000 2.239 26 A HA 0.260 4.580 4.320 -0.000 0.000 0.209 26 A C 1.363 178.926 177.584 -0.035 0.000 1.171 26 A CA 0.882 52.912 52.037 -0.012 0.000 0.768 26 A CB -0.833 18.164 19.000 -0.005 0.000 0.790 26 A HN 0.699 nan 8.150 nan 0.000 0.478 27 G N -1.504 107.253 108.800 -0.072 0.000 2.171 27 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.238 27 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.238 27 G C 0.373 175.223 174.900 -0.084 0.000 1.039 27 G CA 0.306 45.344 45.100 -0.104 0.000 0.759 27 G HN 0.363 nan 8.290 nan 0.000 0.501 28 I N 0.230 120.758 120.570 -0.071 0.000 3.578 28 I HA 0.429 4.599 4.170 -0.000 0.000 0.295 28 I C 2.035 178.130 176.117 -0.037 0.000 1.280 28 I CA 1.773 63.048 61.300 -0.041 0.000 1.347 28 I CB -0.069 37.916 38.000 -0.025 0.000 1.051 28 I HN 1.229 nan 8.210 nan 0.000 0.460 29 G N 0.093 108.861 108.800 -0.054 0.000 3.110 29 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.238 29 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.238 29 G C 0.318 175.210 174.900 -0.013 0.000 1.647 29 G CA -0.231 44.845 45.100 -0.039 0.000 1.146 29 G HN 0.170 nan 8.290 nan 0.000 0.545 30 K N 0.771 121.169 120.400 -0.004 0.000 2.263 30 K HA 0.618 4.938 4.320 -0.000 0.000 0.272 30 K C -0.857 175.748 176.600 0.008 0.000 1.033 30 K CA -0.382 55.909 56.287 0.006 0.000 0.884 30 K CB 1.334 33.836 32.500 0.003 0.000 1.107 30 K HN 0.386 nan 8.250 nan 0.000 0.460 31 V N 3.181 123.106 119.914 0.019 0.000 2.588 31 V HA 0.392 4.512 4.120 -0.000 0.000 0.304 31 V C -0.512 175.589 176.094 0.011 0.000 1.042 31 V CA -0.732 61.577 62.300 0.014 0.000 0.877 31 V CB 2.127 33.965 31.823 0.025 0.000 0.996 31 V HN 0.791 nan 8.190 nan 0.000 0.425 32 T N 6.019 120.574 114.554 0.001 0.000 2.861 32 T HA 0.718 5.068 4.350 -0.000 0.000 0.287 32 T C -0.706 173.989 174.700 -0.008 0.000 1.003 32 T CA -0.468 61.630 62.100 -0.003 0.000 0.977 32 T CB 1.404 70.270 68.868 -0.003 0.000 0.996 32 T HN 0.614 nan 8.240 nan 0.000 0.448 33 L N 0.656 121.873 121.223 -0.010 0.000 2.362 33 L HA 0.858 5.198 4.340 -0.000 0.000 0.271 33 L C -1.566 175.297 176.870 -0.013 0.000 1.002 33 L CA -1.398 53.434 54.840 -0.014 0.000 0.818 33 L CB 1.130 43.177 42.059 -0.019 0.000 1.298 33 L HN 0.281 nan 8.230 nan 0.000 0.420 34 L N 2.338 123.553 121.223 -0.013 0.000 2.325 34 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 34 L C -0.354 176.510 176.870 -0.010 0.000 1.004 34 L CA -0.073 54.761 54.840 -0.011 0.000 0.823 34 L CB 1.290 43.343 42.059 -0.010 0.000 1.236 34 L HN 0.709 nan 8.230 nan 0.000 0.415 35 E N 0.515 120.710 120.200 -0.008 0.000 2.191 35 E HA 0.335 4.685 4.350 -0.000 0.000 0.263 35 E C 0.703 177.302 176.600 -0.002 0.000 0.881 35 E CA -0.182 56.214 56.400 -0.006 0.000 0.757 35 E CB 1.472 31.166 29.700 -0.010 0.000 1.147 35 E HN 0.492 nan 8.360 nan 0.000 0.414 36 S N 2.409 118.110 115.700 0.002 0.000 2.419 36 S HA -0.045 4.425 4.470 -0.000 0.000 0.233 36 S C 0.779 175.382 174.600 0.004 0.000 1.016 36 S CA 0.433 58.636 58.200 0.004 0.000 0.974 36 S CB -0.153 63.052 63.200 0.009 0.000 0.786 36 S HN 0.318 nan 8.310 nan 0.000 0.492 37 S N 2.135 117.838 115.700 0.005 0.000 2.549 37 S HA 0.287 4.757 4.470 -0.000 0.000 0.279 37 S C 1.262 175.864 174.600 0.003 0.000 1.321 37 S CA -0.167 58.036 58.200 0.005 0.000 1.054 37 S CB 1.218 64.421 63.200 0.006 0.000 0.899 37 S HN 0.588 nan 8.310 nan 0.000 0.497 38 S N 2.528 118.230 115.700 0.003 0.000 2.356 38 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 38 S C 0.596 175.199 174.600 0.004 0.000 1.032 38 S CA 0.958 59.161 58.200 0.005 0.000 1.005 38 S CB -0.115 63.090 63.200 0.007 0.000 0.867 38 S HN 0.690 nan 8.310 nan 0.000 0.449 39 E N -0.169 120.032 120.200 0.003 0.000 2.359 39 E HA 0.526 4.876 4.350 -0.000 0.000 0.266 39 E C -0.987 175.611 176.600 -0.003 0.000 0.920 39 E CA -0.649 55.751 56.400 -0.000 0.000 0.788 39 E CB 1.935 31.635 29.700 0.000 0.000 1.279 39 E HN 0.149 nan 8.360 nan 0.000 0.438 40 I N 1.592 122.158 120.570 -0.007 0.000 2.315 40 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 40 I C 0.245 176.357 176.117 -0.009 0.000 1.006 40 I CA -0.265 61.029 61.300 -0.010 0.000 1.265 40 I CB 0.851 38.841 38.000 -0.016 0.000 1.387 40 I HN 0.078 nan 8.210 nan 0.000 0.475 41 R N 7.393 127.889 120.500 -0.007 0.000 2.562 41 R HA 0.435 4.775 4.340 -0.000 0.000 0.298 41 R C -2.361 173.940 176.300 0.002 0.000 0.961 41 R CA -1.632 54.467 56.100 -0.002 0.000 0.881 41 R CB 1.579 31.882 30.300 0.004 0.000 1.159 41 R HN 0.219 nan 8.270 nan 0.000 0.450 42 P HA 0.027 nan 4.420 nan 0.000 0.237 42 P C -0.834 176.519 177.300 0.088 0.000 1.701 42 P CA 0.383 63.506 63.100 0.037 0.000 0.955 42 P CB -0.131 31.572 31.700 0.005 0.000 1.937 43 L N 0.428 121.676 121.223 0.042 0.000 2.421 43 L HA 0.715 5.055 4.340 -0.000 0.000 0.263 43 L C 1.207 178.055 176.870 -0.036 0.000 1.122 43 L CA 0.146 55.004 54.840 0.029 0.000 0.804 43 L CB 0.599 42.663 42.059 0.009 0.000 1.150 43 L HN 0.360 nan 8.230 nan 0.000 0.457 44 G N 0.525 109.275 108.800 -0.083 0.000 2.525 44 G HA2 0.042 4.002 3.960 -0.000 0.000 0.685 44 G HA3 0.042 4.002 3.960 -0.000 0.000 0.685 44 G C -1.340 173.311 174.900 -0.415 0.000 1.290 44 G CA -0.344 44.624 45.100 -0.220 0.000 0.915 44 G HN 0.554 nan 8.290 nan 0.000 0.548 45 V N -0.167 119.481 119.914 -0.443 0.000 3.624 45 V HA 0.914 5.034 4.120 -0.000 0.000 0.297 45 V C 1.717 177.515 176.094 -0.493 0.000 1.319 45 V CA 0.398 62.397 62.300 -0.501 0.000 0.990 45 V CB 1.530 33.143 31.823 -0.350 0.000 1.247 45 V HN 2.166 nan 8.190 nan 0.000 0.476 46 G N 0.668 109.264 108.800 -0.340 0.000 2.491 46 G HA2 0.476 4.436 3.960 -0.000 0.000 0.242 46 G HA3 0.476 4.436 3.960 -0.000 0.000 0.242 46 G C -0.606 174.268 174.900 -0.042 0.000 1.266 46 G CA 0.339 45.336 45.100 -0.172 0.000 0.844 46 G HN 0.892 nan 8.290 nan 0.000 0.571 47 I N -1.528 119.068 120.570 0.045 0.000 3.174 47 I HA 0.548 4.718 4.170 -0.000 0.000 0.313 47 I C -0.959 175.226 176.117 0.114 0.000 1.155 47 I CA -1.441 59.895 61.300 0.060 0.000 0.977 47 I CB 2.579 40.544 38.000 -0.058 0.000 1.248 47 I HN 0.216 nan 8.210 nan 0.000 0.453 48 N N 3.408 122.136 118.700 0.048 0.000 2.392 48 N HA 0.458 5.198 4.740 -0.000 0.000 0.283 48 N C -1.151 174.373 175.510 0.023 0.000 1.003 48 N CA -0.426 52.629 53.050 0.008 0.000 0.892 48 N CB 2.311 40.747 38.487 -0.084 0.000 1.193 48 N HN 0.439 nan 8.380 nan 0.000 0.487 49 I N 2.262 122.866 120.570 0.058 0.000 2.307 49 I HA 0.122 4.292 4.170 -0.000 0.000 0.289 49 I C 0.961 177.104 176.117 0.043 0.000 1.021 49 I CA -0.599 60.738 61.300 0.061 0.000 1.224 49 I CB 0.696 38.757 38.000 0.103 0.000 1.376 49 I HN 0.457 nan 8.210 nan 0.000 0.470 50 Q N 8.303 128.118 119.800 0.024 0.000 2.432 50 Q HA 0.148 4.488 4.340 -0.000 0.000 0.264 50 Q C -1.923 174.087 176.000 0.017 0.000 1.035 50 Q CA -0.679 55.133 55.803 0.015 0.000 0.908 50 Q CB 0.866 29.613 28.738 0.016 0.000 1.280 50 Q HN 0.310 nan 8.270 nan 0.000 0.455 51 P HA -0.286 nan 4.420 nan 0.000 0.216 51 P C 0.793 178.120 177.300 0.044 0.000 1.154 51 P CA 2.515 65.638 63.100 0.038 0.000 0.865 51 P CB -0.086 31.643 31.700 0.048 0.000 0.789 52 A N -0.560 122.280 122.820 0.034 0.000 1.972 52 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 52 A C 2.275 179.853 177.584 -0.010 0.000 1.169 52 A CA 2.003 54.053 52.037 0.022 0.000 0.635 52 A CB -1.474 17.542 19.000 0.027 0.000 0.810 52 A HN 0.219 nan 8.150 nan 0.000 0.446 53 A N -0.707 122.111 122.820 -0.002 0.000 1.930 53 A HA 0.126 4.446 4.320 -0.000 0.000 0.215 53 A C 2.156 179.721 177.584 -0.030 0.000 1.176 53 A CA 1.405 53.438 52.037 -0.007 0.000 0.632 53 A CB -0.686 18.322 19.000 0.013 0.000 0.819 53 A HN 0.332 nan 8.150 nan 0.000 0.445 54 V N 0.055 119.956 119.914 -0.022 0.000 2.343 54 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 54 V C 2.449 178.384 176.094 -0.265 0.000 1.051 54 V CA 2.289 64.572 62.300 -0.028 0.000 1.036 54 V CB -0.735 31.118 31.823 0.050 0.000 0.654 54 V HN 0.744 nan 8.190 nan 0.000 0.451 55 E N 0.221 120.194 120.200 -0.377 0.000 2.070 55 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 55 E C 2.247 178.622 176.600 -0.375 0.000 1.004 55 E CA 1.663 57.654 56.400 -0.681 0.000 0.805 55 E CB -0.283 29.256 29.700 -0.267 0.000 0.744 55 E HN 0.584 nan 8.360 nan 0.000 0.451 56 A N 0.637 123.351 122.820 -0.177 0.000 1.877 56 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 56 A C 2.199 179.727 177.584 -0.093 0.000 1.186 56 A CA 1.264 53.243 52.037 -0.097 0.000 0.620 56 A CB -0.688 18.287 19.000 -0.042 0.000 0.822 56 A HN 0.294 nan 8.150 nan 0.000 0.443 57 L N -0.756 120.414 121.223 -0.088 0.000 2.083 57 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 57 L C 3.058 179.887 176.870 -0.068 0.000 1.083 57 L CA 1.026 55.831 54.840 -0.058 0.000 0.752 57 L CB -0.618 41.425 42.059 -0.027 0.000 0.899 57 L HN 0.440 nan 8.230 nan 0.000 0.433 58 A N -0.076 122.666 122.820 -0.131 0.000 1.933 58 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 58 A C 2.183 179.726 177.584 -0.069 0.000 1.175 58 A CA 1.719 53.691 52.037 -0.108 0.000 0.628 58 A CB -0.411 18.444 19.000 -0.243 0.000 0.814 58 A HN 0.369 nan 8.150 nan 0.000 0.444 59 E N -0.385 119.755 120.200 -0.100 0.000 2.153 59 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 59 E C 1.370 177.962 176.600 -0.012 0.000 0.988 59 E CA 0.742 57.119 56.400 -0.038 0.000 0.811 59 E CB -0.176 29.499 29.700 -0.042 0.000 0.746 59 E HN 0.618 nan 8.360 nan 0.000 0.466 60 L N -0.946 120.264 121.223 -0.020 0.000 2.627 60 L HA 0.212 4.552 4.340 -0.000 0.000 0.232 60 L C 1.059 177.926 176.870 -0.005 0.000 1.150 60 L CA 0.280 55.117 54.840 -0.006 0.000 0.917 60 L CB 0.139 42.191 42.059 -0.013 0.000 1.104 60 L HN 0.305 nan 8.230 nan 0.000 0.445 61 G N 0.145 108.943 108.800 -0.002 0.000 2.137 61 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.237 61 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.237 61 G C 0.517 175.415 174.900 -0.003 0.000 1.002 61 G CA 0.095 45.197 45.100 0.004 0.000 0.702 61 G HN 0.352 nan 8.290 nan 0.000 0.515 62 L N 0.171 121.388 121.223 -0.010 0.000 2.640 62 L HA 0.281 4.621 4.340 -0.000 0.000 0.230 62 L C 2.748 179.613 176.870 -0.007 0.000 1.123 62 L CA 0.573 55.402 54.840 -0.018 0.000 0.900 62 L CB -0.159 41.883 42.059 -0.029 0.000 1.146 62 L HN 0.293 nan 8.230 nan 0.000 0.484 63 G N 2.225 111.040 108.800 0.025 0.000 2.599 63 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 63 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 63 G C -0.745 174.185 174.900 0.051 0.000 1.193 63 G CA 1.059 46.204 45.100 0.076 0.000 0.778 63 G HN 0.317 nan 8.290 nan 0.000 0.589 64 P HA 0.169 nan 4.420 nan 0.000 0.224 64 P C 1.974 179.256 177.300 -0.030 0.000 1.157 64 P CA 1.397 64.504 63.100 0.012 0.000 0.799 64 P CB -0.001 31.708 31.700 0.016 0.000 0.809 65 A N -0.091 122.704 122.820 -0.042 0.000 1.898 65 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 65 A C 2.148 179.661 177.584 -0.117 0.000 1.181 65 A CA 1.256 53.256 52.037 -0.063 0.000 0.620 65 A CB -1.608 17.360 19.000 -0.053 0.000 0.819 65 A HN 0.102 nan 8.150 nan 0.000 0.442 66 L N -0.769 120.353 121.223 -0.169 0.000 2.083 66 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 66 L C 3.048 179.609 176.870 -0.514 0.000 1.083 66 L CA 1.079 55.691 54.840 -0.380 0.000 0.752 66 L CB -0.519 41.263 42.059 -0.462 0.000 0.899 66 L HN 0.436 nan 8.230 nan 0.000 0.433 67 A N -0.108 122.549 122.820 -0.273 0.000 1.969 67 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 67 A C 2.314 179.852 177.584 -0.077 0.000 1.169 67 A CA 1.446 53.413 52.037 -0.117 0.000 0.635 67 A CB -0.490 18.541 19.000 0.051 0.000 0.810 67 A HN 0.379 nan 8.150 nan 0.000 0.445 68 A N -1.617 121.157 122.820 -0.077 0.000 2.251 68 A HA 0.281 4.601 4.320 -0.000 0.000 0.209 68 A C 1.700 179.255 177.584 -0.048 0.000 1.187 68 A CA 1.505 53.516 52.037 -0.043 0.000 0.823 68 A CB -0.286 18.696 19.000 -0.031 0.000 0.846 68 A HN 0.381 nan 8.150 nan 0.000 0.486 69 T N -1.214 113.285 114.554 -0.092 0.000 3.115 69 T HA 0.487 4.837 4.350 -0.000 0.000 0.256 69 T C 0.931 175.600 174.700 -0.051 0.000 0.970 69 T CA 0.589 62.650 62.100 -0.065 0.000 1.010 69 T CB 0.082 68.900 68.868 -0.083 0.000 1.151 69 T HN 0.442 nan 8.240 nan 0.000 0.479 70 A N 1.399 124.132 122.820 -0.144 0.000 2.281 70 A HA 0.726 5.046 4.320 -0.000 0.000 0.329 70 A C -0.629 177.001 177.584 0.076 0.000 1.122 70 A CA -0.555 51.438 52.037 -0.075 0.000 0.850 70 A CB 0.467 19.314 19.000 -0.255 0.000 1.207 70 A HN 0.265 nan 8.150 nan 0.000 0.495 71 I N 1.754 122.456 120.570 0.221 0.000 2.331 71 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 71 I C -2.107 174.233 176.117 0.373 0.000 0.998 71 I CA -2.271 59.186 61.300 0.262 0.000 1.267 71 I CB 1.428 39.554 38.000 0.210 0.000 1.386 71 I HN 0.332 nan 8.210 nan 0.000 0.476 72 P HA 0.087 nan 4.420 nan 0.000 0.231 72 P C -0.243 177.106 177.300 0.082 0.000 1.811 72 P CA -0.385 62.779 63.100 0.106 0.000 1.051 72 P CB -0.654 31.083 31.700 0.062 0.000 1.951 73 T N 1.958 116.581 114.554 0.115 0.000 2.709 73 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 73 T C 1.278 176.066 174.700 0.146 0.000 1.008 73 T CA 0.852 63.034 62.100 0.137 0.000 1.194 73 T CB -0.510 68.412 68.868 0.090 0.000 0.986 73 T HN 0.556 nan 8.240 nan 0.000 0.508 74 H N 0.654 119.725 119.070 0.000 0.000 2.874 74 H HA 0.549 5.105 4.556 -0.000 0.000 0.264 74 H C 0.450 175.764 175.328 -0.024 0.000 1.007 74 H CA -0.605 55.431 56.048 -0.020 0.000 1.207 74 H CB 0.858 30.607 29.762 -0.022 0.000 1.487 74 H HN 0.576 nan 8.280 nan 0.000 0.505 75 E N 1.155 121.260 120.200 -0.158 0.000 2.343 75 E HA 0.323 4.673 4.350 -0.000 0.000 0.278 75 E C -2.122 174.446 176.600 -0.054 0.000 0.910 75 E CA -1.249 55.005 56.400 -0.243 0.000 0.757 75 E CB 2.595 32.005 29.700 -0.483 0.000 1.218 75 E HN 0.187 nan 8.360 nan 0.000 0.435 76 L N 3.958 125.161 121.223 -0.034 0.000 2.349 76 L HA 0.546 4.886 4.340 -0.000 0.000 0.278 76 L C -1.350 175.560 176.870 0.066 0.000 0.996 76 L CA -0.326 54.553 54.840 0.065 0.000 0.825 76 L CB 1.227 43.356 42.059 0.116 0.000 1.243 76 L HN 0.517 nan 8.230 nan 0.000 0.412 77 R N 4.259 124.833 120.500 0.123 0.000 2.393 77 R HA 0.371 4.711 4.340 -0.000 0.000 0.310 77 R C -1.619 174.878 176.300 0.329 0.000 0.968 77 R CA -0.743 55.450 56.100 0.155 0.000 0.867 77 R CB 1.758 32.115 30.300 0.094 0.000 1.124 77 R HN 0.623 nan 8.270 nan 0.000 0.450 78 Y N 5.229 125.684 120.300 0.259 0.000 2.328 78 Y HA 0.414 4.964 4.550 -0.000 0.000 0.337 78 Y C -0.351 175.704 175.900 0.257 0.000 1.008 78 Y CA -1.223 57.050 58.100 0.289 0.000 1.129 78 Y CB 0.701 39.361 38.460 0.332 0.000 1.185 78 Y HN 0.522 nan 8.280 nan 0.000 0.476 79 I N 3.812 124.256 120.570 -0.211 0.000 2.530 79 I HA 0.537 4.707 4.170 -0.000 0.000 0.297 79 I C -0.697 175.193 176.117 -0.379 0.000 1.011 79 I CA -0.990 60.221 61.300 -0.148 0.000 1.107 79 I CB 1.851 39.970 38.000 0.197 0.000 1.285 79 I HN 0.639 nan 8.210 nan 0.000 0.436 80 D N 4.410 124.667 120.400 -0.238 0.000 2.414 80 D HA 0.028 4.668 4.640 -0.000 0.000 0.259 80 D C 0.595 176.793 176.300 -0.171 0.000 1.269 80 D CA -0.242 53.629 54.000 -0.215 0.000 1.028 80 D CB 0.573 41.311 40.800 -0.104 0.000 1.093 80 D HN 0.502 nan 8.370 nan 0.000 0.545 81 Q N -0.963 118.720 119.800 -0.195 0.000 2.488 81 Q HA -0.038 4.302 4.340 -0.000 0.000 0.211 81 Q C 1.377 177.283 176.000 -0.157 0.000 0.967 81 Q CA 0.862 56.501 55.803 -0.272 0.000 0.926 81 Q CB -0.198 28.348 28.738 -0.321 0.000 0.992 81 Q HN 0.654 nan 8.270 nan 0.000 0.506 82 S N -2.501 113.157 115.700 -0.069 0.000 2.540 82 S HA 0.348 4.818 4.470 -0.000 0.000 0.218 82 S C 1.296 175.939 174.600 0.070 0.000 0.977 82 S CA 0.400 58.596 58.200 -0.006 0.000 0.918 82 S CB 0.812 64.015 63.200 0.007 0.000 0.806 82 S HN 0.353 nan 8.310 nan 0.000 0.496 83 G N 0.730 109.587 108.800 0.095 0.000 2.194 83 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.236 83 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.236 83 G C 0.268 175.382 174.900 0.358 0.000 0.987 83 G CA -0.227 45.053 45.100 0.300 0.000 0.635 83 G HN 1.234 nan 8.290 nan 0.000 0.520 84 A N 0.597 123.513 122.820 0.160 0.000 2.388 84 A HA 0.646 4.966 4.320 -0.000 0.000 0.257 84 A C 0.773 178.402 177.584 0.075 0.000 1.095 84 A CA 0.964 53.061 52.037 0.101 0.000 0.791 84 A CB 0.292 19.323 19.000 0.052 0.000 1.029 84 A HN 0.810 nan 8.150 nan 0.000 0.489 85 T N 2.955 117.536 114.554 0.046 0.000 2.751 85 T HA 0.262 4.612 4.350 -0.000 0.000 0.290 85 T C 1.417 176.150 174.700 0.055 0.000 0.919 85 T CA -0.278 61.845 62.100 0.038 0.000 1.136 85 T CB 0.490 69.347 68.868 -0.019 0.000 0.875 85 T HN 0.395 nan 8.240 nan 0.000 0.532 86 V N 2.820 122.791 119.914 0.095 0.000 2.374 86 V HA 0.174 4.294 4.120 -0.000 0.000 0.241 86 V C 0.736 177.022 176.094 0.319 0.000 1.034 86 V CA 0.355 62.765 62.300 0.183 0.000 1.037 86 V CB 0.016 31.970 31.823 0.219 0.000 0.682 86 V HN 0.828 nan 8.190 nan 0.000 0.463 87 W N 0.398 121.815 121.300 0.195 0.000 2.736 87 W HA 0.661 5.321 4.660 -0.000 0.000 0.335 87 W C -0.872 175.727 176.519 0.132 0.000 1.059 87 W CA -0.396 57.051 57.345 0.170 0.000 1.226 87 W CB 2.017 31.607 29.460 0.217 0.000 1.416 87 W HN 0.071 nan 8.180 nan 0.000 0.505 88 S N 3.611 118.783 115.700 -0.881 0.000 2.541 88 S HA 0.517 4.987 4.470 -0.000 0.000 0.280 88 S C -1.309 172.691 174.600 -1.001 0.000 1.112 88 S CA -0.515 57.268 58.200 -0.695 0.000 0.925 88 S CB 1.609 64.573 63.200 -0.393 0.000 1.067 88 S HN 0.538 nan 8.310 nan 0.000 0.479 89 E N 3.429 123.326 120.200 -0.506 0.000 2.366 89 E HA 0.586 4.936 4.350 -0.000 0.000 0.278 89 E C -3.104 173.388 176.600 -0.181 0.000 0.923 89 E CA -2.320 53.894 56.400 -0.311 0.000 0.761 89 E CB 1.948 31.632 29.700 -0.027 0.000 1.231 89 E HN 0.346 nan 8.360 nan 0.000 0.443 90 P HA 0.164 nan 4.420 nan 0.000 0.272 90 P C -0.783 176.477 177.300 -0.067 0.000 1.223 90 P CA -0.446 62.573 63.100 -0.134 0.000 0.784 90 P CB 0.819 32.460 31.700 -0.099 0.000 0.923 91 R N 0.437 120.902 120.500 -0.058 0.000 2.837 91 R HA 0.590 4.930 4.340 -0.000 0.000 0.271 91 R C 0.733 177.029 176.300 -0.007 0.000 0.993 91 R CA -0.008 56.082 56.100 -0.017 0.000 0.931 91 R CB 1.563 31.860 30.300 -0.006 0.000 1.206 91 R HN 0.863 nan 8.270 nan 0.000 0.474 92 G N 0.260 109.052 108.800 -0.014 0.000 2.574 92 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.286 92 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.286 92 G C 0.820 175.704 174.900 -0.027 0.000 1.212 92 G CA 0.172 45.252 45.100 -0.033 0.000 0.979 92 G HN 0.339 nan 8.290 nan 0.000 0.557 93 V N 1.083 120.973 119.914 -0.040 0.000 2.332 93 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 93 V C 2.668 178.747 176.094 -0.025 0.000 1.055 93 V CA 3.180 65.455 62.300 -0.042 0.000 1.038 93 V CB -0.730 31.059 31.823 -0.057 0.000 0.651 93 V HN 0.703 nan 8.190 nan 0.000 0.450 94 E N -0.019 120.177 120.200 -0.007 0.000 2.333 94 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 94 E C 1.960 178.547 176.600 -0.021 0.000 1.007 94 E CA 1.030 57.426 56.400 -0.006 0.000 0.845 94 E CB -0.199 29.510 29.700 0.014 0.000 0.766 94 E HN 0.627 nan 8.360 nan 0.000 0.507 95 A N -0.146 122.662 122.820 -0.019 0.000 2.308 95 A HA 0.357 4.676 4.320 -0.000 0.000 0.217 95 A C 1.567 179.146 177.584 -0.007 0.000 1.216 95 A CA 0.648 52.676 52.037 -0.015 0.000 0.864 95 A CB 0.248 19.244 19.000 -0.008 0.000 0.902 95 A HN 0.292 nan 8.150 nan 0.000 0.499 96 G N -0.679 108.113 108.800 -0.012 0.000 2.175 96 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.182 96 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.182 96 G C -0.274 174.619 174.900 -0.011 0.000 1.003 96 G CA -0.143 44.950 45.100 -0.011 0.000 0.666 96 G HN 0.409 nan 8.290 nan 0.000 0.506 97 N N 0.348 119.041 118.700 -0.011 0.000 2.524 97 N HA 0.520 5.260 4.740 -0.000 0.000 0.283 97 N C 1.375 176.863 175.510 -0.036 0.000 1.142 97 N CA 0.318 53.367 53.050 -0.002 0.000 0.984 97 N CB 1.570 40.067 38.487 0.017 0.000 1.155 97 N HN 0.290 nan 8.380 nan 0.000 0.467 98 A N 1.806 124.605 122.820 -0.035 0.000 2.015 98 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 98 A C -0.053 177.286 177.584 -0.408 0.000 1.163 98 A CA 1.261 53.188 52.037 -0.183 0.000 0.646 98 A CB -0.159 18.757 19.000 -0.140 0.000 0.806 98 A HN 0.663 nan 8.150 nan 0.000 0.448 99 Y N -1.601 118.678 120.300 -0.035 0.000 2.602 99 Y HA 0.496 5.046 4.550 -0.000 0.000 0.342 99 Y C -2.477 173.344 175.900 -0.132 0.000 1.029 99 Y CA -2.823 55.239 58.100 -0.064 0.000 1.080 99 Y CB 1.233 39.671 38.460 -0.037 0.000 1.284 99 Y HN -0.101 nan 8.280 nan 0.000 0.485 100 P HA 0.022 nan 4.420 nan 0.000 0.272 100 P C -1.123 176.010 177.300 -0.278 0.000 1.223 100 P CA -0.512 62.410 63.100 -0.298 0.000 0.784 100 P CB 0.520 31.774 31.700 -0.744 0.000 0.923 101 Q N 1.496 121.181 119.800 -0.192 0.000 2.314 101 Q HA 0.137 4.477 4.340 -0.000 0.000 0.258 101 Q C -1.395 174.497 176.000 -0.180 0.000 0.954 101 Q CA 0.009 55.737 55.803 -0.125 0.000 0.890 101 Q CB 0.178 28.886 28.738 -0.051 0.000 1.210 101 Q HN 0.337 nan 8.270 nan 0.000 0.410 102 Y N 1.438 121.762 120.300 0.041 0.000 2.341 102 Y HA 0.300 4.850 4.550 -0.000 0.000 0.338 102 Y C -0.395 175.533 175.900 0.047 0.000 0.965 102 Y CA -0.820 57.309 58.100 0.049 0.000 1.108 102 Y CB 2.321 40.809 38.460 0.047 0.000 1.180 102 Y HN 0.535 nan 8.280 nan 0.000 0.458 103 S N 5.313 121.180 115.700 0.278 0.000 2.429 103 S HA 0.673 5.143 4.470 -0.000 0.000 0.302 103 S C -0.717 174.027 174.600 0.240 0.000 1.115 103 S CA -0.564 57.785 58.200 0.249 0.000 1.095 103 S CB 0.555 63.942 63.200 0.312 0.000 0.987 103 S HN 0.612 nan 8.310 nan 0.000 0.474 104 I N 1.989 122.671 120.570 0.187 0.000 2.894 104 I HA 0.314 4.484 4.170 -0.000 0.000 0.302 104 I C -0.679 175.489 176.117 0.085 0.000 1.188 104 I CA -0.753 60.616 61.300 0.115 0.000 1.014 104 I CB 1.681 39.718 38.000 0.062 0.000 1.242 104 I HN 0.620 nan 8.210 nan 0.000 0.430 105 H N 6.355 125.418 119.070 -0.012 0.000 2.929 105 H HA 0.128 4.684 4.556 -0.000 0.000 0.317 105 H C 0.859 176.153 175.328 -0.057 0.000 1.031 105 H CA 0.761 56.781 56.048 -0.046 0.000 1.466 105 H CB 1.062 30.793 29.762 -0.051 0.000 1.482 105 H HN 0.671 nan 8.280 nan 0.000 0.561 106 R N 3.131 123.466 120.500 -0.275 0.000 2.103 106 R HA -0.133 4.207 4.340 -0.000 0.000 0.242 106 R C 1.895 178.185 176.300 -0.017 0.000 1.142 106 R CA 1.747 57.750 56.100 -0.161 0.000 0.960 106 R CB -0.499 29.637 30.300 -0.273 0.000 0.858 106 R HN 0.813 nan 8.270 nan 0.000 0.439 107 G N -0.058 108.830 108.800 0.147 0.000 2.403 107 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 107 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 107 G C 1.259 176.227 174.900 0.114 0.000 1.154 107 G CA 0.524 45.716 45.100 0.153 0.000 0.784 107 G HN 0.420 nan 8.290 nan 0.000 0.538 108 E N -0.392 119.915 120.200 0.177 0.000 2.058 108 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 108 E C 2.338 178.947 176.600 0.015 0.000 0.997 108 E CA 0.981 57.404 56.400 0.039 0.000 0.801 108 E CB -0.194 29.513 29.700 0.012 0.000 0.746 108 E HN 0.311 nan 8.360 nan 0.000 0.450 109 L N 1.308 122.544 121.223 0.021 0.000 2.012 109 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 109 L C 1.398 178.250 176.870 -0.029 0.000 1.073 109 L CA 1.634 56.463 54.840 -0.017 0.000 0.748 109 L CB -0.609 41.435 42.059 -0.025 0.000 0.891 109 L HN 0.171 nan 8.230 nan 0.000 0.431 113 L N 1.023 122.220 121.223 -0.043 0.000 2.056 113 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 113 L C 2.373 179.214 176.870 -0.048 0.000 1.078 113 L CA 1.995 56.807 54.840 -0.046 0.000 0.749 113 L CB -0.870 41.162 42.059 -0.045 0.000 0.901 113 L HN 0.310 nan 8.230 nan 0.000 0.433 114 L N -0.380 120.817 121.223 -0.043 0.000 2.017 114 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 114 L C 2.513 179.357 176.870 -0.044 0.000 1.073 114 L CA 1.993 56.808 54.840 -0.041 0.000 0.745 114 L CB -0.951 41.087 42.059 -0.034 0.000 0.894 114 L HN 0.192 nan 8.230 nan 0.000 0.432 115 A N -0.408 122.387 122.820 -0.042 0.000 1.883 115 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 115 A C 2.472 180.024 177.584 -0.054 0.000 1.186 115 A CA 2.087 54.098 52.037 -0.043 0.000 0.624 115 A CB -1.304 17.674 19.000 -0.038 0.000 0.822 115 A HN 0.583 nan 8.150 nan 0.000 0.444 116 A N -0.502 122.282 122.820 -0.060 0.000 1.859 116 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 116 A C 2.263 179.781 177.584 -0.111 0.000 1.198 116 A CA 2.165 54.154 52.037 -0.079 0.000 0.629 116 A CB -1.249 17.707 19.000 -0.074 0.000 0.830 116 A HN 0.485 nan 8.150 nan 0.000 0.446 117 V N -0.172 119.681 119.914 -0.101 0.000 2.252 117 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 117 V C 2.677 178.714 176.094 -0.096 0.000 1.056 117 V CA 2.487 64.721 62.300 -0.111 0.000 1.022 117 V CB -0.852 30.927 31.823 -0.074 0.000 0.641 117 V HN 0.541 nan 8.190 nan 0.000 0.445 118 R N -0.457 120.002 120.500 -0.067 0.000 2.083 118 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 118 R C 2.390 178.658 176.300 -0.053 0.000 1.137 118 R CA 2.079 58.149 56.100 -0.051 0.000 0.951 118 R CB -0.312 29.965 30.300 -0.038 0.000 0.851 118 R HN 0.604 nan 8.270 nan 0.000 0.434 119 E N -0.296 119.867 120.200 -0.061 0.000 2.077 119 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 119 E C 2.037 178.595 176.600 -0.069 0.000 0.989 119 E CA 1.242 57.608 56.400 -0.055 0.000 0.800 119 E CB 0.132 29.801 29.700 -0.052 0.000 0.746 119 E HN 0.240 nan 8.360 nan 0.000 0.452 120 R N -0.216 120.203 120.500 -0.135 0.000 2.210 120 R HA 0.100 4.440 4.340 -0.000 0.000 0.203 120 R C 1.554 177.759 176.300 -0.159 0.000 1.010 120 R CA 0.580 56.546 56.100 -0.222 0.000 1.008 120 R CB 0.283 30.267 30.300 -0.528 0.000 0.923 120 R HN 0.207 nan 8.270 nan 0.000 0.469 121 L N -3.557 117.602 121.223 -0.106 0.000 3.333 121 L HA 0.562 4.902 4.340 -0.000 0.000 0.299 121 L C 0.080 176.954 176.870 0.007 0.000 1.256 121 L CA -0.475 54.371 54.840 0.010 0.000 1.037 121 L CB 0.884 42.980 42.059 0.062 0.000 1.423 121 L HN 0.078 nan 8.230 nan 0.000 0.605 122 G N 1.373 110.166 108.800 -0.011 0.000 2.721 122 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.686 122 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.686 122 G C -0.050 174.842 174.900 -0.013 0.000 1.236 122 G CA 0.182 45.278 45.100 -0.007 0.000 0.786 122 G HN 0.299 nan 8.290 nan 0.000 0.616 123 Q N -0.060 119.733 119.800 -0.012 0.000 2.297 123 Q HA -0.128 4.212 4.340 -0.000 0.000 0.208 123 Q C 2.634 178.628 176.000 -0.011 0.000 0.981 123 Q CA 2.825 58.620 55.803 -0.014 0.000 0.876 123 Q CB -0.086 28.645 28.738 -0.011 0.000 0.921 123 Q HN 0.787 nan 8.270 nan 0.000 0.446 124 Q N -1.280 118.516 119.800 -0.007 0.000 2.297 124 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 124 Q C 1.975 177.973 176.000 -0.004 0.000 0.962 124 Q CA 0.805 56.605 55.803 -0.004 0.000 0.879 124 Q CB -0.079 28.658 28.738 -0.001 0.000 0.947 124 Q HN 0.450 nan 8.270 nan 0.000 0.462 125 A N 1.071 123.888 122.820 -0.005 0.000 1.978 125 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 125 A C 1.253 178.831 177.584 -0.010 0.000 1.170 125 A CA 0.837 52.871 52.037 -0.005 0.000 0.636 125 A CB -0.072 18.924 19.000 -0.006 0.000 0.810 125 A HN 0.164 nan 8.150 nan 0.000 0.448 126 V N 1.776 121.682 119.914 -0.013 0.000 2.288 126 V HA 0.222 4.342 4.120 -0.000 0.000 0.266 126 V C -0.008 176.080 176.094 -0.010 0.000 1.048 126 V CA -0.544 61.747 62.300 -0.014 0.000 0.842 126 V CB 0.535 32.347 31.823 -0.019 0.000 1.064 126 V HN 0.338 nan 8.190 nan 0.000 0.472 127 R N 2.572 123.067 120.500 -0.009 0.000 2.308 127 R HA 0.311 4.651 4.340 -0.000 0.000 0.325 127 R C 0.260 176.557 176.300 -0.005 0.000 1.161 127 R CA -0.165 55.932 56.100 -0.006 0.000 1.022 127 R CB 1.036 31.333 30.300 -0.004 0.000 1.091 127 R HN 0.590 nan 8.270 nan 0.000 0.497 128 T N 0.199 114.751 114.554 -0.004 0.000 2.904 128 T HA 0.333 4.683 4.350 -0.000 0.000 0.290 128 T C 1.157 175.858 174.700 0.001 0.000 1.018 128 T CA 0.990 63.089 62.100 -0.003 0.000 1.075 128 T CB 0.959 69.825 68.868 -0.004 0.000 0.986 128 T HN 0.853 nan 8.240 nan 0.000 0.523 129 G N 2.417 111.219 108.800 0.002 0.000 2.143 129 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.248 129 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.248 129 G C -0.016 174.886 174.900 0.005 0.000 0.991 129 G CA 0.095 45.198 45.100 0.006 0.000 0.689 129 G HN 0.685 nan 8.290 nan 0.000 0.522 130 L N 1.143 122.367 121.223 0.002 0.000 2.401 130 L HA 0.578 4.918 4.340 -0.000 0.000 0.263 130 L C 0.811 177.680 176.870 -0.001 0.000 1.004 130 L CA -0.429 54.412 54.840 0.000 0.000 0.881 130 L CB 1.343 43.402 42.059 -0.001 0.000 1.219 130 L HN 0.209 nan 8.230 nan 0.000 0.441 131 G N 2.650 111.450 108.800 -0.001 0.000 2.338 131 G HA2 0.420 4.380 3.960 -0.000 0.000 0.298 131 G HA3 0.420 4.380 3.960 -0.000 0.000 0.298 131 G C -0.211 174.687 174.900 -0.003 0.000 1.140 131 G CA -0.351 44.749 45.100 0.000 0.000 0.860 131 G HN 0.241 nan 8.290 nan 0.000 0.470 132 V N 2.600 122.511 119.914 -0.005 0.000 2.529 132 V HA 0.055 4.175 4.120 -0.000 0.000 0.292 132 V C 0.818 176.908 176.094 -0.006 0.000 1.028 132 V CA 0.813 63.107 62.300 -0.011 0.000 1.074 132 V CB 0.904 32.717 31.823 -0.016 0.000 0.958 132 V HN 1.017 nan 8.190 nan 0.000 0.481 133 E N 3.447 123.641 120.200 -0.010 0.000 2.444 133 E HA 0.246 4.596 4.350 -0.000 0.000 0.203 133 E C 0.353 176.950 176.600 -0.005 0.000 0.847 133 E CA -0.145 56.254 56.400 -0.002 0.000 1.142 133 E CB 0.669 30.369 29.700 0.000 0.000 1.125 133 E HN 0.576 nan 8.360 nan 0.000 0.521 134 R N 0.764 121.253 120.500 -0.020 0.000 2.637 134 R HA 0.634 4.974 4.340 -0.000 0.000 0.291 134 R C -0.779 175.471 176.300 -0.084 0.000 0.963 134 R CA -0.407 55.676 56.100 -0.028 0.000 0.901 134 R CB 2.051 32.345 30.300 -0.011 0.000 1.160 134 R HN -0.048 nan 8.270 nan 0.000 0.457 135 I N 0.591 121.065 120.570 -0.159 0.000 2.722 135 I HA 0.379 4.549 4.170 -0.000 0.000 0.295 135 I C -0.859 175.100 176.117 -0.263 0.000 1.161 135 I CA -0.626 60.493 61.300 -0.303 0.000 1.032 135 I CB 2.617 40.256 38.000 -0.601 0.000 1.244 135 I HN 0.607 nan 8.210 nan 0.000 0.421 136 E N 4.526 124.639 120.200 -0.145 0.000 2.347 136 E HA 0.234 4.584 4.350 -0.000 0.000 0.285 136 E C -1.744 174.855 176.600 -0.003 0.000 0.925 136 E CA -0.604 55.785 56.400 -0.018 0.000 0.779 136 E CB 2.362 32.069 29.700 0.012 0.000 1.233 136 E HN 0.642 nan 8.360 nan 0.000 0.414 137 E N 4.287 124.512 120.200 0.042 0.000 2.109 137 E HA 0.311 4.661 4.350 -0.000 0.000 0.278 137 E C -1.007 175.611 176.600 0.029 0.000 0.954 137 E CA -0.508 55.912 56.400 0.034 0.000 0.779 137 E CB 1.032 30.761 29.700 0.049 0.000 1.093 137 E HN 0.314 nan 8.360 nan 0.000 0.401 138 R N 4.224 124.735 120.500 0.018 0.000 2.507 138 R HA 0.121 4.461 4.340 -0.000 0.000 0.298 138 R C -1.215 175.092 176.300 0.011 0.000 1.087 138 R CA -0.410 55.699 56.100 0.015 0.000 0.917 138 R CB 0.633 30.941 30.300 0.012 0.000 1.173 138 R HN 0.630 nan 8.270 nan 0.000 0.472 139 D N 3.281 123.688 120.400 0.012 0.000 2.746 139 D HA -0.165 4.475 4.640 -0.000 0.000 0.241 139 D C 0.643 176.948 176.300 0.009 0.000 1.140 139 D CA 1.809 55.815 54.000 0.009 0.000 0.707 139 D CB -0.948 39.856 40.800 0.007 0.000 1.034 139 D HN 1.083 nan 8.370 nan 0.000 0.423 140 G N 0.011 108.818 108.800 0.011 0.000 2.153 140 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.252 140 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.252 140 G C 0.300 175.206 174.900 0.010 0.000 0.994 140 G CA 0.713 45.820 45.100 0.011 0.000 0.698 140 G HN 0.718 nan 8.290 nan 0.000 0.521 141 R N -0.776 119.730 120.500 0.010 0.000 2.522 141 R HA 0.574 4.914 4.340 -0.000 0.000 0.283 141 R C -0.589 175.714 176.300 0.004 0.000 1.074 141 R CA -0.595 55.509 56.100 0.006 0.000 0.925 141 R CB 1.811 32.113 30.300 0.004 0.000 1.205 141 R HN 0.204 nan 8.270 nan 0.000 0.436 142 V N 6.047 125.961 119.914 0.000 0.000 2.407 142 V HA 0.430 4.550 4.120 -0.000 0.000 0.278 142 V C -0.206 175.878 176.094 -0.017 0.000 1.037 142 V CA -0.567 61.728 62.300 -0.010 0.000 0.900 142 V CB 1.297 33.113 31.823 -0.012 0.000 0.983 142 V HN 0.598 nan 8.190 nan 0.000 0.459 143 L N 6.311 127.519 121.223 -0.026 0.000 2.325 143 L HA 0.639 4.979 4.340 -0.000 0.000 0.281 143 L C -0.751 176.095 176.870 -0.041 0.000 1.004 143 L CA -0.310 54.515 54.840 -0.025 0.000 0.823 143 L CB 1.823 43.873 42.059 -0.015 0.000 1.236 143 L HN 0.476 nan 8.230 nan 0.000 0.415 144 I N 1.896 122.446 120.570 -0.035 0.000 2.465 144 I HA 0.478 4.648 4.170 -0.000 0.000 0.291 144 I C 0.516 176.617 176.117 -0.028 0.000 1.014 144 I CA -0.160 61.115 61.300 -0.042 0.000 1.093 144 I CB 2.115 40.092 38.000 -0.039 0.000 1.267 144 I HN 0.609 nan 8.210 nan 0.000 0.431 145 G N 4.651 113.434 108.800 -0.029 0.000 2.325 145 G HA2 0.717 4.677 3.960 -0.000 0.000 0.298 145 G HA3 0.717 4.677 3.960 -0.000 0.000 0.298 145 G C -0.729 174.162 174.900 -0.015 0.000 1.134 145 G CA -0.199 44.891 45.100 -0.017 0.000 0.876 145 G HN 0.754 nan 8.290 nan 0.000 0.452 146 A N 2.748 125.562 122.820 -0.010 0.000 2.485 146 A HA 0.946 5.266 4.320 -0.000 0.000 0.292 146 A C -0.291 177.292 177.584 -0.002 0.000 1.147 146 A CA -0.961 51.072 52.037 -0.007 0.000 0.750 146 A CB 1.882 20.878 19.000 -0.007 0.000 1.331 146 A HN 0.800 nan 8.150 nan 0.000 0.419 147 R N 0.316 120.815 120.500 -0.000 0.000 2.628 147 R HA 0.483 4.823 4.340 -0.000 0.000 0.288 147 R C -1.243 175.060 176.300 0.005 0.000 0.980 147 R CA -0.468 55.633 56.100 0.003 0.000 0.891 147 R CB 1.389 31.690 30.300 0.000 0.000 1.188 147 R HN 0.946 nan 8.270 nan 0.000 0.450 148 D N 2.456 122.863 120.400 0.011 0.000 2.567 148 D HA 0.274 4.914 4.640 -0.000 0.000 0.275 148 D C -0.106 176.208 176.300 0.023 0.000 1.195 148 D CA -0.595 53.414 54.000 0.016 0.000 1.087 148 D CB 0.290 41.102 40.800 0.019 0.000 1.165 148 D HN 0.559 nan 8.370 nan 0.000 0.609 149 G N -1.618 107.202 108.800 0.034 0.000 2.361 149 G HA2 0.316 4.276 3.960 -0.000 0.000 0.260 149 G HA3 0.316 4.276 3.960 -0.000 0.000 0.260 149 G C -0.228 174.745 174.900 0.121 0.000 1.261 149 G CA 0.045 45.175 45.100 0.050 0.000 0.897 149 G HN 0.798 nan 8.290 nan 0.000 0.499 150 H N 0.357 119.426 119.070 -0.002 0.000 2.903 150 H HA -0.217 4.339 4.556 0.000 0.000 0.285 150 H C 1.802 177.129 175.328 -0.002 0.000 1.231 150 H CA 1.695 57.742 56.048 -0.002 0.000 1.135 150 H CB -0.970 28.791 29.762 -0.002 0.000 1.328 150 H HN 1.807 nan 8.280 nan 0.000 0.388 151 G N -1.045 107.785 108.800 0.051 0.000 2.225 151 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.254 151 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.254 151 G C 0.273 175.190 174.900 0.028 0.000 0.988 151 G CA 0.212 45.327 45.100 0.026 0.000 0.625 151 G HN 0.317 nan 8.290 nan 0.000 0.527 152 K N 1.986 122.409 120.400 0.038 0.000 2.401 152 K HA 0.329 4.649 4.320 -0.000 0.000 0.278 152 K C -2.099 174.511 176.600 0.016 0.000 1.018 152 K CA -1.533 54.769 56.287 0.026 0.000 0.981 152 K CB 0.845 33.360 32.500 0.025 0.000 0.933 152 K HN 0.313 nan 8.250 nan 0.000 0.477 153 P HA 0.149 nan 4.420 nan 0.000 0.274 153 P C -0.833 176.470 177.300 0.005 0.000 1.231 153 P CA -0.394 62.710 63.100 0.006 0.000 0.790 153 P CB 0.878 32.581 31.700 0.005 0.000 0.951 154 Q N 0.408 120.209 119.800 0.002 0.000 2.331 154 Q HA 0.669 5.008 4.340 -0.000 0.000 0.272 154 Q C -1.431 174.568 176.000 -0.003 0.000 1.062 154 Q CA -0.671 55.132 55.803 0.001 0.000 0.806 154 Q CB 2.140 30.879 28.738 0.001 0.000 1.312 154 Q HN 0.556 nan 8.270 nan 0.000 0.431 155 A N 3.832 126.650 122.820 -0.003 0.000 2.304 155 A HA 0.863 5.183 4.320 -0.000 0.000 0.323 155 A C -1.252 176.329 177.584 -0.006 0.000 1.195 155 A CA -0.399 51.635 52.037 -0.006 0.000 0.826 155 A CB 0.518 19.515 19.000 -0.004 0.000 1.184 155 A HN 0.680 nan 8.150 nan 0.000 0.496 156 L N 1.590 122.807 121.223 -0.010 0.000 2.350 156 L HA 0.835 5.175 4.340 -0.000 0.000 0.260 156 L C 0.412 177.275 176.870 -0.011 0.000 1.015 156 L CA -0.821 54.013 54.840 -0.009 0.000 0.821 156 L CB 2.711 44.764 42.059 -0.010 0.000 1.370 156 L HN 0.844 nan 8.230 nan 0.000 0.416 157 G N 0.169 108.964 108.800 -0.009 0.000 2.574 157 G HA2 0.872 4.832 3.960 -0.000 0.000 0.299 157 G HA3 0.872 4.832 3.960 -0.000 0.000 0.299 157 G C -1.754 173.142 174.900 -0.008 0.000 1.298 157 G CA -0.245 44.849 45.100 -0.009 0.000 0.952 157 G HN 0.849 nan 8.290 nan 0.000 0.477 158 A N 0.138 122.954 122.820 -0.007 0.000 2.586 158 A HA 0.670 4.990 4.320 -0.000 0.000 0.290 158 A C -0.147 177.437 177.584 -0.001 0.000 1.086 158 A CA -0.386 51.648 52.037 -0.005 0.000 0.665 158 A CB 0.967 19.963 19.000 -0.007 0.000 1.279 158 A HN 0.416 nan 8.150 nan 0.000 0.423 159 D N -0.603 119.797 120.400 0.000 0.000 2.213 159 D HA 0.178 4.818 4.640 -0.000 0.000 0.205 159 D C 0.354 176.659 176.300 0.008 0.000 0.961 159 D CA 1.617 55.620 54.000 0.004 0.000 0.853 159 D CB 0.355 41.157 40.800 0.003 0.000 0.967 159 D HN 0.280 nan 8.370 nan 0.000 0.496 160 V N 1.271 121.188 119.914 0.006 0.000 2.709 160 V HA 0.347 4.467 4.120 -0.000 0.000 0.308 160 V C -0.860 175.237 176.094 0.005 0.000 1.062 160 V CA -1.063 61.243 62.300 0.010 0.000 0.901 160 V CB 2.779 34.606 31.823 0.006 0.000 1.003 160 V HN -0.105 nan 8.190 nan 0.000 0.425 161 L N 5.335 126.565 121.223 0.011 0.000 2.325 161 L HA 0.746 5.086 4.340 -0.000 0.000 0.281 161 L C -0.702 176.178 176.870 0.017 0.000 1.004 161 L CA -0.081 54.762 54.840 0.005 0.000 0.823 161 L CB 1.748 43.804 42.059 -0.006 0.000 1.236 161 L HN 0.458 nan 8.230 nan 0.000 0.415 162 V N 4.837 124.752 119.914 0.002 0.000 2.328 162 V HA 0.521 4.641 4.120 -0.000 0.000 0.278 162 V C 0.856 176.947 176.094 -0.005 0.000 1.021 162 V CA -0.374 61.926 62.300 -0.000 0.000 0.838 162 V CB 1.180 32.983 31.823 -0.033 0.000 0.999 162 V HN 0.923 nan 8.190 nan 0.000 0.447 163 G N 3.702 112.507 108.800 0.008 0.000 2.621 163 G HA2 0.461 4.421 3.960 -0.000 0.000 0.306 163 G HA3 0.461 4.421 3.960 -0.000 0.000 0.306 163 G C 0.467 175.341 174.900 -0.043 0.000 0.893 163 G CA 0.249 45.344 45.100 -0.009 0.000 1.486 163 G HN 1.003 nan 8.290 nan 0.000 0.477 164 A N 2.974 125.766 122.820 -0.047 0.000 3.003 164 A HA 0.357 4.677 4.320 -0.000 0.000 0.301 164 A C 0.858 178.405 177.584 -0.061 0.000 1.280 164 A CA -0.394 51.602 52.037 -0.068 0.000 0.973 164 A CB 0.132 19.097 19.000 -0.059 0.000 1.110 164 A HN 0.530 nan 8.150 nan 0.000 0.590 165 D N -0.359 120.010 120.400 -0.051 0.000 2.615 165 D HA 0.389 5.029 4.640 -0.000 0.000 0.236 165 D C 0.851 177.142 176.300 -0.016 0.000 1.233 165 D CA 0.311 54.297 54.000 -0.024 0.000 0.829 165 D CB -0.562 40.236 40.800 -0.003 0.000 1.024 165 D HN 0.705 nan 8.370 nan 0.000 0.490 166 G N 1.240 110.011 108.800 -0.048 0.000 2.692 166 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.248 166 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.248 166 G C 0.822 175.697 174.900 -0.041 0.000 1.340 166 G CA -0.097 44.985 45.100 -0.030 0.000 0.896 166 G HN 0.453 nan 8.290 nan 0.000 0.570 167 I N -0.690 119.869 120.570 -0.019 0.000 2.161 167 I HA -0.287 3.883 4.170 -0.000 0.000 0.246 167 I C 1.748 177.670 176.117 -0.324 0.000 1.048 167 I CA 2.663 63.846 61.300 -0.195 0.000 1.314 167 I CB -0.060 37.748 38.000 -0.318 0.000 1.014 167 I HN 0.581 nan 8.210 nan 0.000 0.418 168 H N 0.268 119.359 119.070 0.035 0.000 2.550 168 H HA 0.265 4.821 4.556 -0.000 0.000 0.304 168 H C 0.596 175.929 175.328 0.009 0.000 1.086 168 H CA 0.032 56.088 56.048 0.013 0.000 1.089 168 H CB -0.267 29.504 29.762 0.016 0.000 1.528 168 H HN 0.214 nan 8.280 nan 0.000 0.539 169 S N 0.998 116.732 115.700 0.056 0.000 2.885 169 S HA 0.045 4.515 4.470 -0.000 0.000 0.334 169 S C 1.536 176.169 174.600 0.054 0.000 1.224 169 S CA 0.157 58.377 58.200 0.032 0.000 1.080 169 S CB 0.215 63.403 63.200 -0.020 0.000 0.801 169 S HN 0.577 nan 8.310 nan 0.000 0.510 170 A N 5.327 128.179 122.820 0.054 0.000 2.014 170 A HA 0.043 4.362 4.320 -0.000 0.000 0.218 170 A C 2.022 179.652 177.584 0.078 0.000 1.163 170 A CA 1.254 53.327 52.037 0.060 0.000 0.652 170 A CB -0.438 18.587 19.000 0.042 0.000 0.808 170 A HN 0.765 nan 8.150 nan 0.000 0.449 171 V N -0.088 119.862 119.914 0.061 0.000 2.379 171 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 171 V C 2.556 178.736 176.094 0.142 0.000 1.044 171 V CA 1.975 64.326 62.300 0.086 0.000 1.036 171 V CB -0.801 31.049 31.823 0.046 0.000 0.664 171 V HN 0.637 nan 8.190 nan 0.000 0.453 172 R N 0.504 121.062 120.500 0.096 0.000 2.094 172 R HA -0.234 4.106 4.340 -0.000 0.000 0.239 172 R C 2.314 178.704 176.300 0.151 0.000 1.137 172 R CA 1.996 58.167 56.100 0.118 0.000 0.943 172 R CB -0.530 29.777 30.300 0.012 0.000 0.850 172 R HN 0.485 nan 8.270 nan 0.000 0.433 173 A N -0.146 122.741 122.820 0.111 0.000 1.940 173 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 173 A C 1.945 179.593 177.584 0.106 0.000 1.176 173 A CA 1.939 54.036 52.037 0.100 0.000 0.631 173 A CB -0.832 18.216 19.000 0.080 0.000 0.814 173 A HN 0.704 nan 8.150 nan 0.000 0.446 174 H N -0.316 118.780 119.070 0.043 0.000 2.321 174 H HA 0.019 4.575 4.556 -0.000 0.000 0.300 174 H C 1.669 177.004 175.328 0.011 0.000 1.087 174 H CA 1.990 58.054 56.048 0.027 0.000 1.319 174 H CB -0.245 29.532 29.762 0.024 0.000 1.379 174 H HN 0.351 nan 8.280 nan 0.000 0.501 175 L N -0.645 120.585 121.223 0.011 0.000 2.217 175 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 175 L C 0.584 177.214 176.870 -0.400 0.000 1.107 175 L CA 0.729 55.477 54.840 -0.154 0.000 0.783 175 L CB 0.015 42.095 42.059 0.034 0.000 0.919 175 L HN 0.455 nan 8.230 nan 0.000 0.442 176 H N -1.214 117.843 119.070 -0.022 0.000 2.379 176 H HA 0.207 4.763 4.556 -0.000 0.000 0.229 176 H C -1.836 173.477 175.328 -0.026 0.000 1.423 176 H CA -1.365 54.664 56.048 -0.031 0.000 1.375 176 H CB 0.781 30.518 29.762 -0.042 0.000 1.592 176 H HN 0.022 nan 8.280 nan 0.000 0.507 177 P HA -0.068 nan 4.420 nan 0.000 0.226 177 P C 0.754 178.070 177.300 0.026 0.000 1.153 177 P CA 0.944 64.049 63.100 0.008 0.000 0.777 177 P CB 0.460 32.141 31.700 -0.033 0.000 0.794 178 D N -0.879 119.545 120.400 0.039 0.000 2.358 178 D HA 0.009 4.649 4.640 -0.000 0.000 0.224 178 D C 0.684 177.010 176.300 0.044 0.000 1.123 178 D CA 0.145 54.167 54.000 0.037 0.000 0.833 178 D CB -0.341 40.479 40.800 0.033 0.000 0.946 178 D HN 0.425 nan 8.370 nan 0.000 0.505 179 Q N 0.220 120.053 119.800 0.055 0.000 2.361 179 Q HA 0.097 4.437 4.340 -0.000 0.000 0.276 179 Q C 0.476 176.487 176.000 0.018 0.000 1.022 179 Q CA -0.250 55.573 55.803 0.033 0.000 0.898 179 Q CB 1.423 30.178 28.738 0.029 0.000 1.246 179 Q HN -0.056 nan 8.270 nan 0.000 0.410 180 R N 2.253 122.757 120.500 0.007 0.000 2.756 180 R HA 0.128 4.468 4.340 -0.000 0.000 0.264 180 R C -2.027 174.276 176.300 0.005 0.000 1.026 180 R CA -1.059 55.044 56.100 0.006 0.000 1.121 180 R CB 0.007 30.308 30.300 0.001 0.000 0.999 180 R HN 0.608 nan 8.270 nan 0.000 0.449 181 P HA 0.020 nan 4.420 nan 0.000 0.273 181 P C -0.478 176.820 177.300 -0.003 0.000 1.250 181 P CA -0.312 62.795 63.100 0.013 0.000 0.793 181 P CB 0.326 32.042 31.700 0.027 0.000 1.011 182 L N 0.257 121.464 121.223 -0.026 0.000 2.693 182 L HA -0.087 4.253 4.340 -0.000 0.000 0.292 182 L C 0.512 177.344 176.870 -0.063 0.000 1.243 182 L CA 0.724 55.514 54.840 -0.083 0.000 0.903 182 L CB -0.534 41.426 42.059 -0.164 0.000 1.160 182 L HN 0.355 nan 8.230 nan 0.000 0.496 183 S N 2.685 118.350 115.700 -0.058 0.000 2.475 183 S HA 0.250 4.720 4.470 -0.000 0.000 0.281 183 S C -0.192 174.392 174.600 -0.027 0.000 1.198 183 S CA -0.647 57.555 58.200 0.003 0.000 1.063 183 S CB 0.341 63.553 63.200 0.019 0.000 0.972 183 S HN 0.373 nan 8.310 nan 0.000 0.486 184 H N 1.890 120.934 119.070 -0.043 0.000 2.742 184 H HA 0.135 4.691 4.556 0.000 0.000 0.302 184 H C 1.396 176.686 175.328 -0.064 0.000 1.069 184 H CA -0.123 55.873 56.048 -0.087 0.000 1.446 184 H CB 1.189 30.873 29.762 -0.130 0.000 1.462 184 H HN 0.871 nan 8.280 nan 0.000 0.499 185 G N 2.017 110.805 108.800 -0.020 0.000 2.572 185 G HA2 0.015 3.975 3.960 -0.000 0.000 0.216 185 G HA3 0.015 3.975 3.960 -0.000 0.000 0.216 185 G C 1.200 175.982 174.900 -0.196 0.000 1.133 185 G CA 0.395 45.423 45.100 -0.120 0.000 0.791 185 G HN 0.911 nan 8.290 nan 0.000 0.538 186 G N -0.560 108.130 108.800 -0.183 0.000 2.132 186 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.228 186 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.228 186 G C -0.010 174.737 174.900 -0.254 0.000 1.000 186 G CA 0.111 45.062 45.100 -0.249 0.000 0.693 186 G HN 0.355 nan 8.290 nan 0.000 0.515 187 I N 1.016 121.443 120.570 -0.238 0.000 2.533 187 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 187 I C 0.600 176.576 176.117 -0.234 0.000 1.056 187 I CA -0.340 60.838 61.300 -0.203 0.000 1.057 187 I CB 1.704 39.591 38.000 -0.190 0.000 1.240 187 I HN 0.028 nan 8.210 nan 0.000 0.423 191 R N 0.670 121.175 120.500 0.009 0.000 2.744 191 R HA 0.827 5.167 4.340 -0.000 0.000 0.279 191 R C 0.010 175.740 176.300 -0.951 0.000 0.977 191 R CA -0.624 55.231 56.100 -0.408 0.000 0.906 191 R CB 2.529 32.695 30.300 -0.223 0.000 1.197 191 R HN 0.658 nan 8.270 nan 0.000 0.463 192 G N 0.248 108.057 108.800 -1.652 0.000 2.495 192 G HA2 0.439 4.399 3.960 -0.000 0.000 0.294 192 G HA3 0.439 4.399 3.960 -0.000 0.000 0.294 192 G C -1.613 172.547 174.900 -1.234 0.000 1.397 192 G CA -0.505 43.715 45.100 -1.467 0.000 0.790 192 G HN 0.467 nan 8.290 nan 0.000 0.486 193 V N -2.356 117.276 119.914 -0.470 0.000 2.656 193 V HA 0.952 5.072 4.120 -0.000 0.000 0.307 193 V C -0.431 175.770 176.094 0.179 0.000 1.051 193 V CA -0.652 61.559 62.300 -0.148 0.000 0.893 193 V CB 1.410 33.173 31.823 -0.100 0.000 0.999 193 V HN 0.917 nan 8.190 nan 0.000 0.426 194 T N 2.851 117.577 114.554 0.287 0.000 2.893 194 T HA 0.536 4.886 4.350 -0.000 0.000 0.293 194 T C -0.745 174.081 174.700 0.209 0.000 1.027 194 T CA -0.315 61.946 62.100 0.267 0.000 0.988 194 T CB 1.892 70.958 68.868 0.330 0.000 1.043 194 T HN 0.970 nan 8.240 nan 0.000 0.461 195 E N 1.449 121.703 120.200 0.090 0.000 2.289 195 E HA 0.539 4.889 4.350 -0.000 0.000 0.278 195 E C -1.431 175.161 176.600 -0.013 0.000 1.032 195 E CA -0.121 56.338 56.400 0.098 0.000 0.854 195 E CB 0.391 30.140 29.700 0.083 0.000 1.046 195 E HN 0.415 nan 8.360 nan 0.000 0.409 196 F N 2.106 122.094 119.950 0.062 0.000 2.561 196 F HA 0.225 4.752 4.527 -0.000 0.000 0.321 196 F C 1.252 177.117 175.800 0.107 0.000 1.065 196 F CA -0.626 57.426 58.000 0.086 0.000 0.934 196 F CB 1.701 40.759 39.000 0.096 0.000 1.215 196 F HN 0.536 nan 8.300 nan 0.000 0.471 197 D N 1.155 121.709 120.400 0.257 0.000 2.084 197 D HA -0.023 4.617 4.640 -0.000 0.000 0.199 197 D C 0.208 176.648 176.300 0.234 0.000 0.981 197 D CA 1.238 55.357 54.000 0.198 0.000 0.841 197 D CB 0.338 41.220 40.800 0.137 0.000 0.997 197 D HN 0.444 nan 8.370 nan 0.000 0.454 198 R N -0.795 119.867 120.500 0.270 0.000 2.599 198 R HA 0.347 4.687 4.340 -0.000 0.000 0.295 198 R C -1.259 175.234 176.300 0.322 0.000 0.963 198 R CA -0.677 55.565 56.100 0.238 0.000 0.883 198 R CB 1.914 32.300 30.300 0.143 0.000 1.171 198 R HN 0.016 nan 8.270 nan 0.000 0.450 199 F N 5.671 125.634 119.950 0.022 0.000 2.532 199 F HA 0.355 4.882 4.527 -0.000 0.000 0.365 199 F C 0.134 175.880 175.800 -0.090 0.000 1.112 199 F CA -0.571 57.338 58.000 -0.151 0.000 1.082 199 F CB 0.012 38.782 39.000 -0.382 0.000 1.319 199 F HN 0.595 nan 8.300 nan 0.000 0.457 200 L N 1.958 122.931 121.223 -0.416 0.000 6.593 200 L HA -0.419 3.920 4.340 -0.000 0.000 0.053 200 L C 1.054 177.829 176.870 -0.160 0.000 1.816 200 L CA 1.507 56.127 54.840 -0.367 0.000 1.701 200 L CB -0.615 41.111 42.059 -0.555 0.000 2.696 200 L HN 0.627 nan 8.230 nan 0.000 1.037 201 D N 0.596 120.921 120.400 -0.125 0.000 2.328 201 D HA 0.190 4.830 4.640 -0.000 0.000 0.226 201 D C 1.259 177.544 176.300 -0.025 0.000 1.066 201 D CA 0.768 54.733 54.000 -0.059 0.000 0.861 201 D CB 0.351 41.120 40.800 -0.052 0.000 0.912 201 D HN 0.992 nan 8.370 nan 0.000 0.521 202 G N 1.508 110.316 108.800 0.013 0.000 2.179 202 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 202 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 202 G C 0.531 175.495 174.900 0.106 0.000 0.977 202 G CA 0.487 45.640 45.100 0.089 0.000 0.641 202 G HN 0.627 nan 8.290 nan 0.000 0.533 203 K N -0.778 119.673 120.400 0.085 0.000 2.932 203 K HA 0.437 4.757 4.320 -0.000 0.000 0.194 203 K C -0.072 176.677 176.600 0.249 0.000 1.132 203 K CA -0.079 56.286 56.287 0.130 0.000 1.071 203 K CB 0.495 33.001 32.500 0.011 0.000 0.727 203 K HN 0.166 nan 8.250 nan 0.000 0.441 207 V N 3.905 124.084 119.914 0.442 0.000 2.823 207 V HA 0.996 5.116 4.120 -0.000 0.000 0.312 207 V C -0.127 176.276 176.094 0.515 0.000 1.072 207 V CA -0.392 62.188 62.300 0.466 0.000 0.937 207 V CB 2.117 34.201 31.823 0.435 0.000 1.013 207 V HN 0.973 nan 8.190 nan 0.000 0.430 208 A N 3.623 126.746 122.820 0.506 0.000 2.612 208 A HA 0.896 5.216 4.320 -0.000 0.000 0.293 208 A C -1.375 176.511 177.584 0.503 0.000 1.075 208 A CA -0.719 51.578 52.037 0.433 0.000 0.680 208 A CB 2.077 21.288 19.000 0.353 0.000 1.279 208 A HN 0.942 nan 8.150 nan 0.000 0.411 209 N N 0.966 119.895 118.700 0.381 0.000 2.396 209 N HA 0.304 5.044 4.740 -0.000 0.000 0.275 209 N C -1.713 173.855 175.510 0.096 0.000 1.218 209 N CA -0.606 52.646 53.050 0.337 0.000 0.812 209 N CB 1.451 40.113 38.487 0.291 0.000 1.592 209 N HN 0.440 nan 8.380 nan 0.000 0.480 210 D N 0.611 121.124 120.400 0.189 0.000 2.364 210 D HA 0.014 4.654 4.640 -0.000 0.000 0.236 210 D C 0.870 177.254 176.300 0.141 0.000 1.221 210 D CA 0.299 54.368 54.000 0.115 0.000 0.891 210 D CB 0.787 41.805 40.800 0.363 0.000 1.190 210 D HN 0.519 nan 8.370 nan 0.000 0.449 211 E N -0.314 119.876 120.200 -0.017 0.000 2.347 211 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 211 E C 0.895 177.409 176.600 -0.142 0.000 1.008 211 E CA 0.921 57.253 56.400 -0.113 0.000 0.852 211 E CB -0.037 29.505 29.700 -0.264 0.000 0.783 211 E HN 0.418 nan 8.360 nan 0.000 0.505 212 H N -1.344 117.827 119.070 0.169 0.000 2.517 212 H HA 0.041 4.597 4.556 -0.000 0.000 0.282 212 H C 0.065 175.601 175.328 0.346 0.000 1.023 212 H CA 0.025 56.198 56.048 0.209 0.000 1.169 212 H CB -0.323 29.552 29.762 0.188 0.000 1.454 212 H HN 0.306 nan 8.280 nan 0.000 0.556 213 W N 2.368 123.780 121.300 0.186 0.000 5.538 213 W HA -0.261 4.399 4.660 -0.000 0.000 0.377 213 W C -1.116 175.536 176.519 0.222 0.000 1.406 213 W CA 0.201 57.664 57.345 0.196 0.000 0.940 213 W CB -1.545 28.021 29.460 0.176 0.000 2.536 213 W HN 0.036 nan 8.180 nan 0.000 1.504 214 S N 1.640 117.465 115.700 0.208 0.000 2.474 214 S HA 0.482 4.952 4.470 -0.000 0.000 0.276 214 S C 0.222 174.948 174.600 0.211 0.000 1.227 214 S CA -0.238 58.000 58.200 0.063 0.000 1.050 214 S CB 1.235 64.314 63.200 -0.201 0.000 0.939 214 S HN 0.177 nan 8.310 nan 0.000 0.490 215 R N 2.022 122.591 120.500 0.115 0.000 2.732 215 R HA 0.636 4.976 4.340 -0.000 0.000 0.278 215 R C -0.944 175.566 176.300 0.351 0.000 0.976 215 R CA -0.778 55.428 56.100 0.177 0.000 0.963 215 R CB 1.229 31.426 30.300 -0.171 0.000 1.150 215 R HN 0.438 nan 8.270 nan 0.000 0.478 216 L N 2.084 123.530 121.223 0.372 0.000 2.408 216 L HA 0.615 4.955 4.340 -0.000 0.000 0.268 216 L C -1.455 175.594 176.870 0.298 0.000 0.986 216 L CA -0.989 54.010 54.840 0.264 0.000 0.820 216 L CB 2.325 44.539 42.059 0.258 0.000 1.303 216 L HN 0.388 nan 8.230 nan 0.000 0.411 217 V N 3.071 123.155 119.914 0.282 0.000 2.577 217 V HA 0.802 4.922 4.120 -0.000 0.000 0.303 217 V C -0.371 175.948 176.094 0.375 0.000 1.042 217 V CA -0.510 62.004 62.300 0.356 0.000 0.872 217 V CB 1.560 33.594 31.823 0.350 0.000 0.998 217 V HN 0.852 nan 8.190 nan 0.000 0.423 218 A N 4.925 128.011 122.820 0.443 0.000 2.422 218 A HA 1.018 5.338 4.320 -0.000 0.000 0.302 218 A C -1.431 176.418 177.584 0.441 0.000 1.041 218 A CA -0.593 51.634 52.037 0.318 0.000 0.708 218 A CB 1.731 20.912 19.000 0.301 0.000 1.257 218 A HN 1.513 nan 8.150 nan 0.000 0.414 219 Y N -0.768 119.627 120.300 0.158 0.000 2.565 219 Y HA 0.708 5.258 4.550 -0.000 0.000 0.330 219 Y C -3.476 172.492 175.900 0.113 0.000 1.150 219 Y CA -2.837 55.390 58.100 0.213 0.000 1.055 219 Y CB 0.755 39.329 38.460 0.190 0.000 1.337 219 Y HN 0.401 nan 8.280 nan 0.000 0.457 220 P HA 0.341 nan 4.420 nan 0.000 0.275 220 P C 0.433 177.852 177.300 0.199 0.000 1.228 220 P CA -0.160 63.033 63.100 0.156 0.000 0.786 220 P CB 0.959 32.789 31.700 0.217 0.000 0.927 221 I N -1.726 118.899 120.570 0.092 0.000 4.442 221 I HA 0.343 4.513 4.170 -0.000 0.000 0.331 221 I C 0.069 176.240 176.117 0.089 0.000 1.364 221 I CA 0.043 61.415 61.300 0.121 0.000 1.207 221 I CB 0.669 38.702 38.000 0.055 0.000 1.298 221 I HN 0.099 nan 8.210 nan 0.000 0.463 222 S N 1.340 117.077 115.700 0.061 0.000 2.707 222 S HA 0.723 5.193 4.470 -0.000 0.000 0.312 222 S C 0.986 175.659 174.600 0.123 0.000 1.116 222 S CA 0.092 58.337 58.200 0.075 0.000 1.078 222 S CB 1.641 64.847 63.200 0.010 0.000 0.997 222 S HN 0.360 nan 8.310 nan 0.000 0.477 223 A N 5.457 128.334 122.820 0.096 0.000 1.933 223 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 223 A C 2.137 179.773 177.584 0.087 0.000 1.175 223 A CA 1.219 53.306 52.037 0.082 0.000 0.628 223 A CB -0.359 18.665 19.000 0.040 0.000 0.814 223 A HN 0.866 nan 8.150 nan 0.000 0.444 224 R N -1.166 119.391 120.500 0.096 0.000 2.083 224 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 224 R C 2.207 178.541 176.300 0.056 0.000 1.137 224 R CA 1.687 57.824 56.100 0.061 0.000 0.951 224 R CB -0.550 29.778 30.300 0.047 0.000 0.851 224 R HN 0.717 nan 8.270 nan 0.000 0.434 225 H N -0.286 118.799 119.070 0.024 0.000 2.321 225 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 225 H C 2.138 177.494 175.328 0.047 0.000 1.087 225 H CA 1.310 57.381 56.048 0.038 0.000 1.319 225 H CB -0.080 29.714 29.762 0.053 0.000 1.379 225 H HN 0.311 nan 8.280 nan 0.000 0.501 226 A N 1.298 124.228 122.820 0.184 0.000 1.978 226 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 226 A C 2.592 180.222 177.584 0.075 0.000 1.170 226 A CA 1.572 53.680 52.037 0.119 0.000 0.636 226 A CB -0.658 18.405 19.000 0.104 0.000 0.810 226 A HN 0.461 nan 8.150 nan 0.000 0.448 227 A N -0.703 122.151 122.820 0.058 0.000 2.067 227 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 227 A C 1.652 179.246 177.584 0.017 0.000 1.156 227 A CA 1.224 53.279 52.037 0.031 0.000 0.683 227 A CB -0.264 18.748 19.000 0.020 0.000 0.808 227 A HN 0.597 nan 8.150 nan 0.000 0.455 228 E N -1.442 118.765 120.200 0.013 0.000 2.465 228 E HA 0.293 4.643 4.350 -0.000 0.000 0.191 228 E C 1.254 177.869 176.600 0.024 0.000 1.053 228 E CA 0.312 56.711 56.400 -0.000 0.000 0.869 228 E CB 0.029 29.703 29.700 -0.043 0.000 0.977 228 E HN 0.667 nan 8.360 nan 0.000 0.483 229 G N 1.040 109.867 108.800 0.046 0.000 2.299 229 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.237 229 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.237 229 G C 0.508 175.464 174.900 0.094 0.000 1.027 229 G CA 0.012 45.148 45.100 0.060 0.000 0.619 229 G HN 0.046 nan 8.290 nan 0.000 0.513 230 K N 0.698 121.166 120.400 0.113 0.000 2.118 230 K HA 0.680 5.000 4.320 -0.000 0.000 0.240 230 K C -0.060 176.672 176.600 0.221 0.000 1.035 230 K CA 0.031 56.422 56.287 0.174 0.000 0.899 230 K CB 1.189 33.806 32.500 0.196 0.000 1.085 230 K HN 0.266 nan 8.250 nan 0.000 0.498 231 S N 0.653 116.504 115.700 0.252 0.000 2.594 231 S HA 0.352 4.822 4.470 -0.000 0.000 0.296 231 S C -1.482 173.204 174.600 0.144 0.000 1.124 231 S CA -0.778 57.551 58.200 0.214 0.000 1.011 231 S CB 0.517 63.860 63.200 0.238 0.000 1.016 231 S HN 0.353 nan 8.310 nan 0.000 0.485 232 L N 6.925 128.114 121.223 -0.055 0.000 2.268 232 L HA 0.535 4.875 4.340 -0.000 0.000 0.289 232 L C -0.873 175.944 176.870 -0.088 0.000 1.064 232 L CA -0.052 54.672 54.840 -0.194 0.000 0.824 232 L CB 0.706 42.430 42.059 -0.559 0.000 1.202 232 L HN 0.464 nan 8.230 nan 0.000 0.433 233 V N 5.366 125.260 119.914 -0.033 0.000 2.385 233 V HA 0.278 4.398 4.120 -0.000 0.000 0.269 233 V C 0.378 176.396 176.094 -0.127 0.000 1.043 233 V CA -0.659 61.545 62.300 -0.160 0.000 0.906 233 V CB 1.095 32.681 31.823 -0.395 0.000 0.995 233 V HN 0.813 nan 8.190 nan 0.000 0.467 234 N N 5.926 124.427 118.700 -0.332 0.000 2.529 234 N HA 0.410 5.150 4.740 -0.000 0.000 0.278 234 N C -0.834 174.473 175.510 -0.339 0.000 1.146 234 N CA -0.546 52.218 53.050 -0.477 0.000 0.980 234 N CB 0.791 38.829 38.487 -0.748 0.000 1.124 234 N HN 0.735 nan 8.380 nan 0.000 0.458 235 W N 1.901 123.052 121.300 -0.248 0.000 3.032 235 W HA 0.684 5.344 4.660 0.000 0.000 0.335 235 W C -1.939 174.532 176.519 -0.080 0.000 1.154 235 W CA -0.994 56.259 57.345 -0.154 0.000 1.204 235 W CB 0.225 29.601 29.460 -0.140 0.000 1.416 235 W HN 0.067 nan 8.180 nan 0.000 0.521 236 V N 2.366 122.451 119.914 0.285 0.000 2.577 236 V HA 0.368 4.488 4.120 -0.000 0.000 0.303 236 V C -0.110 176.143 176.094 0.265 0.000 1.042 236 V CA -0.262 62.175 62.300 0.229 0.000 0.872 236 V CB 1.045 32.969 31.823 0.169 0.000 0.998 236 V HN 0.801 nan 8.190 nan 0.000 0.423 240 P HA 0.082 nan 4.420 nan 0.000 0.261 240 P C 0.768 178.040 177.300 -0.046 0.000 1.173 240 P CA 0.602 63.729 63.100 0.045 0.000 0.760 240 P CB 0.604 32.493 31.700 0.316 0.000 0.783 241 S N 2.945 118.573 115.700 -0.120 0.000 2.447 241 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 241 S C 1.947 176.515 174.600 -0.053 0.000 1.006 241 S CA 1.202 59.337 58.200 -0.108 0.000 0.957 241 S CB -0.515 62.593 63.200 -0.153 0.000 0.773 241 S HN 0.587 nan 8.310 nan 0.000 0.507 242 A N 1.660 124.444 122.820 -0.060 0.000 1.940 242 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 242 A C 2.327 179.989 177.584 0.131 0.000 1.176 242 A CA 1.680 53.742 52.037 0.042 0.000 0.631 242 A CB -0.947 18.130 19.000 0.128 0.000 0.814 242 A HN 0.527 nan 8.150 nan 0.000 0.446 243 A N -0.929 121.988 122.820 0.162 0.000 1.969 243 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 243 A C 2.090 179.840 177.584 0.278 0.000 1.169 243 A CA 1.784 53.961 52.037 0.232 0.000 0.635 243 A CB -0.449 18.705 19.000 0.257 0.000 0.810 243 A HN 0.414 nan 8.150 nan 0.000 0.445 244 V N -1.517 118.507 119.914 0.183 0.000 2.795 244 V HA 0.388 4.508 4.120 -0.000 0.000 0.243 244 V C 1.516 177.711 176.094 0.168 0.000 1.069 244 V CA 0.805 63.253 62.300 0.246 0.000 1.089 244 V CB -1.313 30.612 31.823 0.171 0.000 0.756 244 V HN 1.137 nan 8.190 nan 0.000 0.471 245 G N 0.387 109.239 108.800 0.086 0.000 2.760 245 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 245 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 245 G C -0.342 174.569 174.900 0.018 0.000 1.359 245 G CA 0.075 45.203 45.100 0.046 0.000 0.861 245 G HN 0.522 nan 8.290 nan 0.000 0.541 246 Q N -0.402 119.397 119.800 -0.003 0.000 2.314 246 Q HA 0.538 4.878 4.340 -0.000 0.000 0.257 246 Q C 1.414 177.412 176.000 -0.003 0.000 0.975 246 Q CA -0.629 55.157 55.803 -0.029 0.000 0.933 246 Q CB 0.530 29.238 28.738 -0.051 0.000 1.195 246 Q HN 0.538 nan 8.270 nan 0.000 0.426 247 L N 2.606 123.821 121.223 -0.014 0.000 2.270 247 L HA 0.145 4.485 4.340 -0.000 0.000 0.210 247 L C 0.056 176.922 176.870 -0.006 0.000 1.104 247 L CA 0.893 55.738 54.840 0.009 0.000 0.804 247 L CB 0.266 42.311 42.059 -0.023 0.000 0.937 247 L HN 0.725 nan 8.230 nan 0.000 0.450 248 D N -2.518 117.862 120.400 -0.034 0.000 2.648 248 D HA 0.077 4.717 4.640 -0.000 0.000 0.244 248 D C -0.005 176.275 176.300 -0.032 0.000 1.244 248 D CA -0.462 53.519 54.000 -0.031 0.000 0.772 248 D CB 0.902 41.675 40.800 -0.045 0.000 1.379 248 D HN -0.059 nan 8.370 nan 0.000 0.428 249 N N 0.560 119.245 118.700 -0.025 0.000 2.336 249 N HA 0.021 4.761 4.740 -0.000 0.000 0.189 249 N C -0.061 175.439 175.510 -0.017 0.000 1.113 249 N CA 0.046 53.084 53.050 -0.020 0.000 0.858 249 N CB 0.995 39.470 38.487 -0.020 0.000 0.970 249 N HN 0.187 nan 8.380 nan 0.000 0.471 250 E N 0.887 121.068 120.200 -0.032 0.000 2.277 250 E HA 0.673 5.023 4.350 -0.000 0.000 0.266 250 E C -1.651 174.901 176.600 -0.080 0.000 0.901 250 E CA -0.973 55.403 56.400 -0.040 0.000 0.782 250 E CB 2.087 31.767 29.700 -0.033 0.000 1.228 250 E HN 0.228 nan 8.360 nan 0.000 0.424 251 A N 3.107 125.885 122.820 -0.070 0.000 2.310 251 A HA 0.591 4.911 4.320 -0.000 0.000 0.304 251 A C -1.414 176.190 177.584 0.035 0.000 1.231 251 A CA -0.576 51.365 52.037 -0.160 0.000 0.799 251 A CB 0.520 19.332 19.000 -0.312 0.000 1.162 251 A HN 0.468 nan 8.150 nan 0.000 0.486 252 D N 1.669 122.097 120.400 0.048 0.000 2.970 252 D HA 0.287 4.927 4.640 -0.000 0.000 0.230 252 D C 0.063 176.371 176.300 0.013 0.000 1.276 252 D CA -0.496 53.548 54.000 0.073 0.000 0.910 252 D CB 0.750 41.592 40.800 0.069 0.000 1.590 252 D HN 0.465 nan 8.370 nan 0.000 0.551 253 W N 2.028 123.341 121.300 0.022 0.000 2.468 253 W HA 0.009 4.670 4.660 0.000 0.000 0.262 253 W C 0.796 177.250 176.519 -0.108 0.000 1.241 253 W CA -0.042 57.204 57.345 -0.166 0.000 1.232 253 W CB 0.225 29.567 29.460 -0.196 0.000 1.124 253 W HN 0.307 nan 8.180 nan 0.000 0.597 254 N N 0.131 118.920 118.700 0.148 0.000 2.467 254 N HA 0.097 4.837 4.740 -0.000 0.000 0.278 254 N C -0.351 175.195 175.510 0.061 0.000 1.306 254 N CA -0.029 53.073 53.050 0.087 0.000 0.905 254 N CB 0.071 38.603 38.487 0.075 0.000 1.236 254 N HN -0.083 nan 8.380 nan 0.000 0.509 255 R N 2.132 122.666 120.500 0.057 0.000 2.196 255 R HA 0.061 4.401 4.340 -0.000 0.000 0.340 255 R C -0.248 176.082 176.300 0.050 0.000 1.043 255 R CA -0.358 55.769 56.100 0.044 0.000 0.883 255 R CB 0.695 31.014 30.300 0.030 0.000 1.078 255 R HN 0.321 nan 8.270 nan 0.000 0.462 256 D N 2.380 122.814 120.400 0.055 0.000 2.493 256 D HA 0.036 4.676 4.640 -0.000 0.000 0.240 256 D C 0.248 176.613 176.300 0.109 0.000 1.142 256 D CA 0.038 54.083 54.000 0.075 0.000 0.872 256 D CB 1.090 41.928 40.800 0.064 0.000 1.173 256 D HN 0.463 nan 8.370 nan 0.000 0.467 257 G N 1.790 110.692 108.800 0.170 0.000 2.613 257 G HA2 0.576 4.536 3.960 -0.000 0.000 0.303 257 G HA3 0.576 4.536 3.960 -0.000 0.000 0.303 257 G C -0.552 174.501 174.900 0.255 0.000 1.312 257 G CA -1.117 44.157 45.100 0.290 0.000 1.036 257 G HN 0.480 nan 8.290 nan 0.000 0.513 258 R N -0.302 120.374 120.500 0.293 0.000 2.480 258 R HA 0.274 4.614 4.340 -0.000 0.000 0.306 258 R C 0.746 177.071 176.300 0.041 0.000 0.958 258 R CA -0.831 55.358 56.100 0.148 0.000 0.861 258 R CB 2.016 32.397 30.300 0.135 0.000 1.171 258 R HN 0.351 nan 8.270 nan 0.000 0.445 259 L N 3.282 124.507 121.223 0.003 0.000 2.081 259 L HA -0.232 4.107 4.340 -0.000 0.000 0.212 259 L C 1.829 178.624 176.870 -0.124 0.000 1.080 259 L CA 1.979 56.771 54.840 -0.081 0.000 0.754 259 L CB -0.170 41.854 42.059 -0.058 0.000 0.893 259 L HN 0.671 nan 8.230 nan 0.000 0.433 260 E N -1.253 118.906 120.200 -0.068 0.000 2.204 260 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 260 E C 1.575 178.128 176.600 -0.080 0.000 0.989 260 E CA 1.202 57.559 56.400 -0.072 0.000 0.824 260 E CB -0.648 29.031 29.700 -0.035 0.000 0.756 260 E HN 0.551 nan 8.360 nan 0.000 0.477 261 D N 0.894 121.265 120.400 -0.047 0.000 2.162 261 D HA -0.069 4.571 4.640 -0.000 0.000 0.203 261 D C 2.007 178.177 176.300 -0.216 0.000 0.967 261 D CA 0.827 54.837 54.000 0.017 0.000 0.840 261 D CB 0.096 41.073 40.800 0.295 0.000 0.972 261 D HN 0.148 nan 8.370 nan 0.000 0.482 262 V N 0.344 119.883 119.914 -0.626 0.000 2.575 262 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 262 V C 2.142 178.087 176.094 -0.248 0.000 1.045 262 V CA 0.452 62.215 62.300 -0.895 0.000 1.065 262 V CB -0.128 30.750 31.823 -1.575 0.000 0.717 262 V HN -0.004 nan 8.190 nan 0.000 0.467 263 L N 1.588 122.650 121.223 -0.267 0.000 1.997 263 L HA -0.076 4.264 4.340 -0.000 0.000 0.216 263 L C -0.186 176.595 176.870 -0.148 0.000 1.074 263 L CA 2.881 57.608 54.840 -0.188 0.000 0.763 263 L CB -2.094 39.847 42.059 -0.196 0.000 0.890 263 L HN 0.259 nan 8.230 nan 0.000 0.434 264 P HA -0.204 nan 4.420 nan 0.000 0.217 264 P C 1.487 178.550 177.300 -0.394 0.000 1.148 264 P CA 1.620 64.515 63.100 -0.342 0.000 0.834 264 P CB -0.204 31.195 31.700 -0.501 0.000 0.783 265 F N -3.394 116.444 119.950 -0.187 0.000 2.558 265 F HA 0.060 4.587 4.527 0.000 0.000 0.298 265 F C 1.560 176.981 175.800 -0.630 0.000 1.119 265 F CA 0.964 58.763 58.000 -0.335 0.000 1.451 265 F CB -0.604 38.189 39.000 -0.345 0.000 1.091 265 F HN -0.124 nan 8.300 nan 0.000 0.563 266 F N -1.741 118.046 119.950 -0.272 0.000 2.706 266 F HA 0.374 4.901 4.527 0.000 0.000 0.313 266 F C 1.945 177.526 175.800 -0.364 0.000 1.096 266 F CA 0.124 57.735 58.000 -0.648 0.000 1.219 266 F CB -0.468 38.023 39.000 -0.848 0.000 1.051 266 F HN -0.119 nan 8.300 nan 0.000 0.568 267 A N -0.220 122.562 122.820 -0.065 0.000 1.969 267 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 267 A C 1.704 179.321 177.584 0.055 0.000 1.169 267 A CA 1.798 53.816 52.037 -0.032 0.000 0.635 267 A CB -0.447 18.509 19.000 -0.072 0.000 0.810 267 A HN 0.145 nan 8.150 nan 0.000 0.445 268 D N -1.576 118.903 120.400 0.131 0.000 2.363 268 D HA -0.011 4.629 4.640 -0.000 0.000 0.226 268 D C -0.338 176.122 176.300 0.268 0.000 1.020 268 D CA 0.136 54.239 54.000 0.171 0.000 0.892 268 D CB -0.108 40.788 40.800 0.161 0.000 0.900 268 D HN 0.504 nan 8.370 nan 0.000 0.531 269 W N 1.182 122.471 121.300 -0.018 0.000 2.218 269 W HA 0.255 4.914 4.660 -0.000 0.000 0.326 269 W C 0.537 177.034 176.519 -0.037 0.000 1.276 269 W CA -0.514 56.821 57.345 -0.017 0.000 1.210 269 W CB 0.489 29.947 29.460 -0.003 0.000 1.143 269 W HN -0.240 nan 8.180 nan 0.000 0.563 270 D N 3.009 123.476 120.400 0.112 0.000 2.405 270 D HA 0.132 4.772 4.640 -0.000 0.000 0.264 270 D C 0.136 176.445 176.300 0.014 0.000 1.240 270 D CA -0.292 53.740 54.000 0.054 0.000 0.893 270 D CB 0.598 41.419 40.800 0.035 0.000 1.198 270 D HN 0.045 nan 8.370 nan 0.000 0.514 271 L N 1.888 123.110 121.223 -0.001 0.000 2.492 271 L HA 0.317 4.657 4.340 -0.000 0.000 0.223 271 L C 2.177 179.030 176.870 -0.029 0.000 1.132 271 L CA 1.307 56.111 54.840 -0.060 0.000 0.850 271 L CB -0.753 41.211 42.059 -0.159 0.000 0.966 271 L HN 0.706 nan 8.230 nan 0.000 0.454 272 G N -0.044 108.767 108.800 0.020 0.000 5.155 272 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.239 272 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.239 272 G C 1.162 176.162 174.900 0.167 0.000 1.409 272 G CA 0.465 45.628 45.100 0.105 0.000 0.927 272 G HN 0.394 nan 8.290 nan 0.000 0.710 273 W N -0.026 121.364 121.300 0.151 0.000 2.518 273 W HA 0.549 5.209 4.660 0.000 0.000 0.273 273 W C 0.468 177.157 176.519 0.284 0.000 1.247 273 W CA 0.873 58.317 57.345 0.164 0.000 1.288 273 W CB -0.272 29.251 29.460 0.105 0.000 1.107 273 W HN 0.329 nan 8.180 nan 0.000 0.586 274 F N 3.497 123.021 119.950 -0.709 0.000 2.449 274 F HA 0.347 4.874 4.527 0.000 0.000 0.342 274 F C -1.014 174.631 175.800 -0.259 0.000 1.127 274 F CA -2.506 55.118 58.000 -0.627 0.000 0.975 274 F CB 0.967 39.146 39.000 -1.368 0.000 1.146 274 F HN -0.303 nan 8.300 nan 0.000 0.444 275 D N 6.738 127.223 120.400 0.142 0.000 2.456 275 D HA 0.207 4.847 4.640 -0.000 0.000 0.219 275 D C 1.209 177.350 176.300 -0.266 0.000 1.126 275 D CA -0.287 53.681 54.000 -0.054 0.000 0.890 275 D CB 0.457 41.283 40.800 0.044 0.000 1.025 275 D HN 0.305 nan 8.370 nan 0.000 0.511 276 I N 3.351 123.661 120.570 -0.434 0.000 2.315 276 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 276 I C 2.336 178.187 176.117 -0.443 0.000 1.117 276 I CA 0.788 61.746 61.300 -0.571 0.000 1.404 276 I CB -0.905 36.770 38.000 -0.541 0.000 1.071 276 I HN 0.522 nan 8.210 nan 0.000 0.419 277 R N 1.196 121.528 120.500 -0.279 0.000 2.094 277 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 277 R C 2.102 178.262 176.300 -0.232 0.000 1.137 277 R CA 2.536 58.496 56.100 -0.233 0.000 0.943 277 R CB -0.412 29.804 30.300 -0.139 0.000 0.850 277 R HN 0.393 nan 8.270 nan 0.000 0.433 278 D N -0.082 120.214 120.400 -0.173 0.000 2.123 278 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 278 D C 2.013 178.200 176.300 -0.189 0.000 0.992 278 D CA 1.288 55.202 54.000 -0.143 0.000 0.833 278 D CB -0.091 40.665 40.800 -0.073 0.000 0.954 278 D HN 0.262 nan 8.370 nan 0.000 0.455 279 L N 0.105 121.201 121.223 -0.212 0.000 2.012 279 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 279 L C 2.145 178.694 176.870 -0.534 0.000 1.073 279 L CA 1.604 56.294 54.840 -0.250 0.000 0.748 279 L CB -0.490 41.388 42.059 -0.303 0.000 0.891 279 L HN 0.221 nan 8.230 nan 0.000 0.431 280 L N -1.301 119.509 121.223 -0.690 0.000 2.109 280 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 280 L C 2.316 178.989 176.870 -0.329 0.000 1.086 280 L CA 1.586 55.988 54.840 -0.729 0.000 0.760 280 L CB -1.091 40.542 42.059 -0.711 0.000 0.910 280 L HN 0.292 nan 8.230 nan 0.000 0.437 281 T N -0.778 113.624 114.554 -0.254 0.000 2.904 281 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 281 T C 1.695 176.337 174.700 -0.097 0.000 1.059 281 T CA 0.983 62.993 62.100 -0.150 0.000 1.137 281 T CB -0.097 68.689 68.868 -0.137 0.000 0.879 281 T HN 0.255 nan 8.240 nan 0.000 0.467 282 R N 2.053 122.489 120.500 -0.106 0.000 2.480 282 R HA 0.172 4.512 4.340 -0.000 0.000 0.277 282 R C 0.180 176.484 176.300 0.006 0.000 1.008 282 R CA -0.354 55.705 56.100 -0.067 0.000 1.090 282 R CB -0.137 30.091 30.300 -0.121 0.000 1.234 282 R HN 0.563 nan 8.270 nan 0.000 0.549 283 N N 0.004 118.745 118.700 0.067 0.000 2.344 283 N HA -0.133 4.607 4.740 -0.000 0.000 0.236 283 N C 0.449 176.036 175.510 0.128 0.000 1.279 283 N CA 0.309 53.489 53.050 0.216 0.000 0.882 283 N CB 0.602 39.319 38.487 0.383 0.000 1.110 283 N HN 0.011 nan 8.380 nan 0.000 0.436 284 Q N -0.707 119.168 119.800 0.124 0.000 2.352 284 Q HA 0.307 4.647 4.340 -0.000 0.000 0.212 284 Q C -0.677 175.361 176.000 0.063 0.000 0.888 284 Q CA -0.041 55.805 55.803 0.072 0.000 0.934 284 Q CB 0.421 29.195 28.738 0.059 0.000 1.093 284 Q HN 0.595 nan 8.270 nan 0.000 0.523 285 L N 0.380 121.650 121.223 0.077 0.000 2.666 285 L HA 0.398 4.738 4.340 -0.000 0.000 0.259 285 L C -2.030 174.873 176.870 0.055 0.000 0.919 285 L CA -0.205 54.660 54.840 0.043 0.000 0.927 285 L CB 1.849 43.903 42.059 -0.008 0.000 1.423 285 L HN -0.091 nan 8.230 nan 0.000 0.426 286 I N 5.633 126.258 120.570 0.093 0.000 2.465 286 I HA 0.523 4.693 4.170 -0.000 0.000 0.291 286 I C -0.943 175.238 176.117 0.106 0.000 1.014 286 I CA -0.659 60.724 61.300 0.138 0.000 1.093 286 I CB 1.823 39.989 38.000 0.278 0.000 1.267 286 I HN 0.452 nan 8.210 nan 0.000 0.431 287 L N 5.997 127.259 121.223 0.065 0.000 2.354 287 L HA 0.518 4.858 4.340 -0.000 0.000 0.269 287 L C -0.449 176.471 176.870 0.084 0.000 1.005 287 L CA -0.688 54.191 54.840 0.064 0.000 0.819 287 L CB 2.086 44.143 42.059 -0.002 0.000 1.311 287 L HN 0.588 nan 8.230 nan 0.000 0.423 288 Q N 1.501 121.310 119.800 0.014 0.000 2.345 288 Q HA 0.622 4.962 4.340 -0.000 0.000 0.268 288 Q C -1.754 174.191 176.000 -0.091 0.000 1.054 288 Q CA -0.895 54.786 55.803 -0.204 0.000 0.835 288 Q CB 2.841 31.386 28.738 -0.322 0.000 1.339 288 Q HN 0.539 nan 8.270 nan 0.000 0.447 289 Y N 1.351 121.423 120.300 -0.380 0.000 2.390 289 Y HA 0.381 4.931 4.550 0.000 0.000 0.324 289 Y C -2.931 172.749 175.900 -0.367 0.000 1.151 289 Y CA -1.555 56.336 58.100 -0.348 0.000 1.053 289 Y CB 1.844 40.113 38.460 -0.319 0.000 1.277 289 Y HN 0.718 nan 8.280 nan 0.000 0.432 293 D N 1.545 121.982 120.400 0.062 0.000 2.781 293 D HA 0.682 5.322 4.640 -0.000 0.000 0.295 293 D C -0.687 175.569 176.300 -0.073 0.000 1.143 293 D CA -0.879 53.083 54.000 -0.064 0.000 1.076 293 D CB 1.761 42.380 40.800 -0.301 0.000 1.444 293 D HN 0.796 nan 8.370 nan 0.000 0.567 294 R N -0.520 119.932 120.500 -0.081 0.000 2.750 294 R HA 0.369 4.709 4.340 -0.000 0.000 0.281 294 R C -1.062 175.204 176.300 -0.057 0.000 0.972 294 R CA -0.934 55.126 56.100 -0.067 0.000 0.912 294 R CB 1.437 31.691 30.300 -0.077 0.000 1.187 294 R HN 0.417 nan 8.270 nan 0.000 0.464 295 D N 3.132 123.506 120.400 -0.042 0.000 2.506 295 D HA 0.022 4.662 4.640 -0.000 0.000 0.234 295 D C -2.135 174.154 176.300 -0.019 0.000 1.143 295 D CA -0.743 53.240 54.000 -0.029 0.000 0.871 295 D CB 0.340 41.128 40.800 -0.020 0.000 1.190 295 D HN 0.081 nan 8.370 nan 0.000 0.459 296 P HA -0.007 nan 4.420 nan 0.000 0.261 296 P C -0.275 177.035 177.300 0.016 0.000 1.183 296 P CA 0.288 63.404 63.100 0.027 0.000 0.761 296 P CB 0.370 32.076 31.700 0.010 0.000 0.785 297 L N 6.852 128.105 121.223 0.050 0.000 2.357 297 L HA 0.295 4.635 4.340 -0.000 0.000 0.273 297 L C -0.945 175.922 176.870 -0.004 0.000 1.080 297 L CA -1.756 53.081 54.840 -0.005 0.000 0.803 297 L CB 1.269 43.302 42.059 -0.044 0.000 1.174 297 L HN 0.310 nan 8.230 nan 0.000 0.443 298 P HA -0.040 nan 4.420 nan 0.000 0.231 298 P C -0.559 176.774 177.300 0.056 0.000 1.168 298 P CA 0.938 64.046 63.100 0.014 0.000 0.779 298 P CB 0.042 31.779 31.700 0.063 0.000 0.844 299 H N -5.504 113.599 119.070 0.056 0.000 3.079 299 H HA 0.342 4.898 4.556 0.000 0.000 0.356 299 H C -0.394 175.132 175.328 0.330 0.000 1.221 299 H CA -0.903 55.185 56.048 0.066 0.000 1.185 299 H CB -0.232 29.582 29.762 0.086 0.000 1.882 299 H HN -0.326 nan 8.280 nan 0.000 0.543 300 W N 2.435 123.869 121.300 0.223 0.000 2.726 300 W HA 0.483 5.143 4.660 -0.000 0.000 0.285 300 W C 1.169 177.927 176.519 0.399 0.000 1.110 300 W CA 1.211 58.686 57.345 0.216 0.000 1.579 300 W CB -0.298 29.223 29.460 0.102 0.000 1.118 300 W HN 0.771 nan 8.180 nan 0.000 0.556 301 G N -0.271 108.884 108.800 0.592 0.000 2.938 301 G HA2 0.630 4.590 3.960 -0.000 0.000 0.258 301 G HA3 0.630 4.590 3.960 -0.000 0.000 0.258 301 G C -1.185 173.889 174.900 0.288 0.000 1.356 301 G CA -0.841 44.500 45.100 0.401 0.000 1.052 301 G HN -0.048 nan 8.290 nan 0.000 0.550 302 R N -1.346 119.259 120.500 0.176 0.000 2.725 302 R HA 0.488 4.828 4.340 -0.000 0.000 0.276 302 R C 0.437 176.784 176.300 0.079 0.000 1.189 302 R CA 0.811 56.959 56.100 0.081 0.000 1.083 302 R CB 0.520 30.857 30.300 0.061 0.000 1.262 302 R HN 1.978 nan 8.270 nan 0.000 0.415 303 G N 3.603 112.434 108.800 0.051 0.000 2.557 303 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.292 303 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.292 303 G C 0.200 175.138 174.900 0.064 0.000 1.162 303 G CA 0.317 45.446 45.100 0.049 0.000 0.964 303 G HN 0.595 nan 8.290 nan 0.000 0.541 304 R N 0.135 120.672 120.500 0.061 0.000 2.507 304 R HA 0.475 4.815 4.340 -0.000 0.000 0.298 304 R C 0.230 176.570 176.300 0.066 0.000 0.999 304 R CA -0.037 56.098 56.100 0.058 0.000 1.082 304 R CB 0.251 30.574 30.300 0.038 0.000 1.246 304 R HN 0.416 nan 8.270 nan 0.000 0.553 305 I N -0.013 120.612 120.570 0.092 0.000 2.389 305 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 305 I C 0.058 176.269 176.117 0.157 0.000 0.999 305 I CA -0.427 60.935 61.300 0.104 0.000 1.129 305 I CB 2.109 40.177 38.000 0.113 0.000 1.288 305 I HN -0.117 nan 8.210 nan 0.000 0.444 306 T N 5.902 120.554 114.554 0.163 0.000 2.773 306 T HA 0.718 5.068 4.350 -0.000 0.000 0.278 306 T C -1.188 173.635 174.700 0.204 0.000 1.011 306 T CA -0.445 61.806 62.100 0.253 0.000 1.014 306 T CB 1.438 70.516 68.868 0.350 0.000 1.293 306 T HN 0.141 nan 8.240 nan 0.000 0.554 307 L N 1.875 123.251 121.223 0.256 0.000 2.370 307 L HA 0.800 5.140 4.340 -0.000 0.000 0.266 307 L C -0.778 176.118 176.870 0.044 0.000 1.002 307 L CA -0.651 54.218 54.840 0.048 0.000 0.818 307 L CB 1.522 43.497 42.059 -0.141 0.000 1.325 307 L HN 0.649 nan 8.230 nan 0.000 0.418 308 L N 0.618 121.777 121.223 -0.107 0.000 2.465 308 L HA 0.864 5.204 4.340 -0.000 0.000 0.257 308 L C 0.386 177.094 176.870 -0.269 0.000 0.988 308 L CA 0.242 55.035 54.840 -0.078 0.000 0.827 308 L CB 1.953 44.012 42.059 0.001 0.000 1.397 308 L HN 0.777 nan 8.230 nan 0.000 0.410 309 G N 2.534 111.152 108.800 -0.303 0.000 2.575 309 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 309 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 309 G C 0.264 174.751 174.900 -0.689 0.000 1.264 309 G CA 0.447 45.318 45.100 -0.382 0.000 0.935 309 G HN 0.812 nan 8.290 nan 0.000 0.568 310 D N 0.263 120.444 120.400 -0.365 0.000 2.203 310 D HA -0.044 4.596 4.640 -0.000 0.000 0.199 310 D C 2.755 178.868 176.300 -0.311 0.000 0.997 310 D CA 2.499 56.339 54.000 -0.267 0.000 0.863 310 D CB -0.758 39.997 40.800 -0.074 0.000 0.928 310 D HN 0.943 nan 8.370 nan 0.000 0.458 311 A N 0.608 123.248 122.820 -0.299 0.000 1.940 311 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 311 A C 2.273 179.607 177.584 -0.416 0.000 1.176 311 A CA 2.333 54.210 52.037 -0.267 0.000 0.631 311 A CB -0.532 18.356 19.000 -0.187 0.000 0.814 311 A HN 0.278 nan 8.150 nan 0.000 0.446 312 A N -0.629 121.780 122.820 -0.685 0.000 1.878 312 A HA 0.210 4.530 4.320 -0.000 0.000 0.213 312 A C 1.077 178.118 177.584 -0.904 0.000 1.192 312 A CA 1.401 52.741 52.037 -1.161 0.000 0.619 312 A CB -0.293 17.725 19.000 -1.636 0.000 0.837 312 A HN 0.982 nan 8.150 nan 0.000 0.446 313 H N -2.804 115.999 119.070 -0.444 0.000 2.696 313 H HA 0.589 5.145 4.556 -0.000 0.000 0.221 313 H C -0.628 174.633 175.328 -0.112 0.000 1.399 313 H CA -1.056 54.875 56.048 -0.195 0.000 1.408 313 H CB -1.214 28.515 29.762 -0.055 0.000 1.853 313 H HN 0.243 nan 8.280 nan 0.000 0.546 320 A N 0.205 123.047 122.820 0.037 0.000 2.430 320 A HA 0.469 4.788 4.320 -0.000 0.000 0.243 320 A C 0.532 178.134 177.584 0.030 0.000 1.254 320 A CA 0.034 52.087 52.037 0.026 0.000 0.914 320 A CB -0.267 18.746 19.000 0.021 0.000 0.998 320 A HN 0.344 nan 8.150 nan 0.000 0.515 321 N N 0.271 118.999 118.700 0.046 0.000 2.424 321 N HA 0.486 5.226 4.740 -0.000 0.000 0.257 321 N C 1.068 176.611 175.510 0.054 0.000 1.250 321 N CA 1.110 54.194 53.050 0.056 0.000 0.946 321 N CB 0.686 39.224 38.487 0.084 0.000 1.175 321 N HN 0.509 nan 8.380 nan 0.000 0.477 322 G N 0.138 108.981 108.800 0.071 0.000 2.669 322 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.250 322 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.250 322 G C 0.861 175.768 174.900 0.012 0.000 1.247 322 G CA 1.068 46.182 45.100 0.025 0.000 0.958 322 G HN 0.766 nan 8.290 nan 0.000 0.559 323 A N -0.452 122.345 122.820 -0.039 0.000 1.902 323 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 323 A C 2.737 180.324 177.584 0.005 0.000 1.181 323 A CA 3.310 55.324 52.037 -0.038 0.000 0.623 323 A CB -0.963 17.999 19.000 -0.063 0.000 0.818 323 A HN 1.462 nan 8.150 nan 0.000 0.443 324 S N -0.133 115.576 115.700 0.015 0.000 2.365 324 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 324 S C 2.137 176.763 174.600 0.042 0.000 1.039 324 S CA 1.611 59.826 58.200 0.025 0.000 1.033 324 S CB -0.319 62.894 63.200 0.022 0.000 0.887 324 S HN 0.657 nan 8.310 nan 0.000 0.447 325 Q N 0.812 120.649 119.800 0.061 0.000 2.123 325 Q HA 0.131 4.471 4.340 -0.000 0.000 0.199 325 Q C 2.483 178.586 176.000 0.170 0.000 0.966 325 Q CA 1.256 57.111 55.803 0.087 0.000 0.845 325 Q CB -0.747 28.009 28.738 0.030 0.000 0.907 325 Q HN 0.576 nan 8.270 nan 0.000 0.439 326 A N 1.222 124.132 122.820 0.151 0.000 1.873 326 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 326 A C 2.220 179.846 177.584 0.071 0.000 1.186 326 A CA 1.012 53.111 52.037 0.104 0.000 0.616 326 A CB -0.690 18.319 19.000 0.015 0.000 0.823 326 A HN 0.284 nan 8.150 nan 0.000 0.442 327 I N -0.310 120.286 120.570 0.044 0.000 2.208 327 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 327 I C 2.261 178.408 176.117 0.051 0.000 1.097 327 I CA 1.271 62.589 61.300 0.030 0.000 1.363 327 I CB -0.317 37.691 38.000 0.013 0.000 1.051 327 I HN 0.280 nan 8.210 nan 0.000 0.413 328 L N -0.063 121.203 121.223 0.072 0.000 2.217 328 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 328 L C 2.012 178.968 176.870 0.143 0.000 1.107 328 L CA 0.773 55.664 54.840 0.085 0.000 0.783 328 L CB -0.613 41.488 42.059 0.070 0.000 0.919 328 L HN 0.217 nan 8.230 nan 0.000 0.442 329 D N 0.390 120.913 120.400 0.204 0.000 2.104 329 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 329 D C 2.142 178.563 176.300 0.202 0.000 0.994 329 D CA 1.614 55.819 54.000 0.341 0.000 0.830 329 D CB -0.305 40.720 40.800 0.375 0.000 0.959 329 D HN 0.322 nan 8.370 nan 0.000 0.452 330 G N 1.047 109.895 108.800 0.081 0.000 2.402 330 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 330 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 330 G C 1.603 176.499 174.900 -0.006 0.000 1.162 330 G CA 0.261 45.355 45.100 -0.009 0.000 0.777 330 G HN 0.145 nan 8.290 nan 0.000 0.539 331 I N 1.427 122.016 120.570 0.032 0.000 2.151 331 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 331 I C 2.549 178.697 176.117 0.051 0.000 1.080 331 I CA 1.621 62.942 61.300 0.035 0.000 1.339 331 I CB -1.086 36.939 38.000 0.041 0.000 1.039 331 I HN 0.226 nan 8.210 nan 0.000 0.409 332 E N 1.036 121.301 120.200 0.108 0.000 2.150 332 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 332 E C 2.016 178.700 176.600 0.140 0.000 0.985 332 E CA 0.862 57.365 56.400 0.171 0.000 0.814 332 E CB -0.349 29.529 29.700 0.297 0.000 0.752 332 E HN 0.349 nan 8.360 nan 0.000 0.466 333 L N 0.216 121.408 121.223 -0.051 0.000 2.023 333 L HA 0.083 4.423 4.340 -0.000 0.000 0.205 333 L C 2.200 178.993 176.870 -0.128 0.000 1.073 333 L CA 2.221 56.865 54.840 -0.326 0.000 0.745 333 L CB -1.217 40.410 42.059 -0.721 0.000 0.900 333 L HN 0.124 nan 8.230 nan 0.000 0.435 334 A N -0.052 122.718 122.820 -0.084 0.000 1.873 334 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 334 A C 2.472 180.052 177.584 -0.007 0.000 1.193 334 A CA 2.578 54.593 52.037 -0.036 0.000 0.629 334 A CB -1.443 17.546 19.000 -0.019 0.000 0.826 334 A HN 0.642 nan 8.150 nan 0.000 0.447 335 A N -0.442 122.386 122.820 0.013 0.000 1.877 335 A HA 0.155 4.475 4.320 -0.000 0.000 0.216 335 A C 2.553 180.158 177.584 0.036 0.000 1.186 335 A CA 2.322 54.376 52.037 0.028 0.000 0.620 335 A CB -1.149 17.876 19.000 0.041 0.000 0.822 335 A HN 1.173 nan 8.150 nan 0.000 0.443 336 A N -0.501 122.353 122.820 0.057 0.000 1.865 336 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 336 A C 1.992 179.603 177.584 0.044 0.000 1.191 336 A CA 1.839 53.919 52.037 0.073 0.000 0.623 336 A CB -0.684 18.401 19.000 0.141 0.000 0.826 336 A HN 0.407 nan 8.150 nan 0.000 0.444 337 L N -0.559 120.677 121.223 0.022 0.000 2.127 337 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 337 L C 2.837 179.711 176.870 0.007 0.000 1.089 337 L CA 1.836 56.681 54.840 0.009 0.000 0.757 337 L CB -1.281 40.770 42.059 -0.013 0.000 0.899 337 L HN 0.455 nan 8.230 nan 0.000 0.434 338 A N -1.489 121.335 122.820 0.007 0.000 1.970 338 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 338 A C 2.535 180.124 177.584 0.008 0.000 1.170 338 A CA 1.033 53.072 52.037 0.004 0.000 0.645 338 A CB -0.298 18.704 19.000 0.002 0.000 0.816 338 A HN 0.325 nan 8.150 nan 0.000 0.447 339 R N -0.884 119.625 120.500 0.016 0.000 2.080 339 R HA 0.042 4.382 4.340 -0.000 0.000 0.222 339 R C 0.056 176.366 176.300 0.017 0.000 1.107 339 R CA 0.593 56.703 56.100 0.017 0.000 0.980 339 R CB 0.096 30.411 30.300 0.024 0.000 0.879 339 R HN 0.418 nan 8.270 nan 0.000 0.439 340 N N -0.198 118.515 118.700 0.020 0.000 2.446 340 N HA 0.136 4.876 4.740 -0.000 0.000 0.265 340 N C -0.129 175.391 175.510 0.016 0.000 0.975 340 N CA 0.066 53.128 53.050 0.019 0.000 0.928 340 N CB 1.975 40.478 38.487 0.026 0.000 1.160 340 N HN 0.167 nan 8.380 nan 0.000 0.495 341 A N 2.683 125.510 122.820 0.012 0.000 2.019 341 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 341 A C 0.755 178.346 177.584 0.012 0.000 1.164 341 A CA 0.982 53.025 52.037 0.009 0.000 0.644 341 A CB -0.238 18.766 19.000 0.007 0.000 0.805 341 A HN 0.703 nan 8.150 nan 0.000 0.449 342 D N 0.096 120.505 120.400 0.014 0.000 2.435 342 D HA 0.205 4.845 4.640 -0.000 0.000 0.230 342 D C 1.071 177.385 176.300 0.023 0.000 1.215 342 D CA 0.341 54.351 54.000 0.016 0.000 0.947 342 D CB 0.559 41.367 40.800 0.014 0.000 1.048 342 D HN -0.022 nan 8.370 nan 0.000 0.512 343 V N 4.798 124.725 119.914 0.023 0.000 2.277 343 V HA -0.359 3.761 4.120 -0.000 0.000 0.253 343 V C 1.983 178.103 176.094 0.043 0.000 1.067 343 V CA 2.904 65.222 62.300 0.030 0.000 1.047 343 V CB -0.609 31.229 31.823 0.024 0.000 0.649 343 V HN 0.672 nan 8.190 nan 0.000 0.447 344 A N -0.583 122.260 122.820 0.039 0.000 1.930 344 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 344 A C 2.406 180.019 177.584 0.049 0.000 1.175 344 A CA 2.070 54.134 52.037 0.046 0.000 0.627 344 A CB -0.944 18.076 19.000 0.033 0.000 0.815 344 A HN 0.953 nan 8.150 nan 0.000 0.443 345 A N -0.230 122.612 122.820 0.037 0.000 1.969 345 A HA 0.257 4.577 4.320 -0.000 0.000 0.218 345 A C 2.440 180.055 177.584 0.052 0.000 1.169 345 A CA 1.745 53.803 52.037 0.035 0.000 0.635 345 A CB -0.837 18.177 19.000 0.023 0.000 0.810 345 A HN 0.915 nan 8.150 nan 0.000 0.445 346 A N -0.156 122.699 122.820 0.059 0.000 1.845 346 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 346 A C 1.952 179.615 177.584 0.132 0.000 1.195 346 A CA 1.691 53.775 52.037 0.077 0.000 0.616 346 A CB -0.699 18.336 19.000 0.058 0.000 0.832 346 A HN 0.374 nan 8.150 nan 0.000 0.443 347 L N -0.036 121.271 121.223 0.140 0.000 2.051 347 L HA -0.220 4.120 4.340 -0.000 0.000 0.214 347 L C 2.646 179.663 176.870 0.244 0.000 1.076 347 L CA 1.967 56.944 54.840 0.228 0.000 0.758 347 L CB -1.021 41.144 42.059 0.177 0.000 0.890 347 L HN 0.382 nan 8.230 nan 0.000 0.433 348 R N -0.889 119.690 120.500 0.132 0.000 2.081 348 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 348 R C 2.194 178.515 176.300 0.035 0.000 1.131 348 R CA 1.378 57.518 56.100 0.067 0.000 0.960 348 R CB -0.246 30.073 30.300 0.032 0.000 0.856 348 R HN 0.457 nan 8.270 nan 0.000 0.436 349 E N -0.254 119.984 120.200 0.064 0.000 2.150 349 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 349 E C 1.704 178.351 176.600 0.078 0.000 0.985 349 E CA 0.895 57.325 56.400 0.049 0.000 0.814 349 E CB -0.056 29.681 29.700 0.061 0.000 0.752 349 E HN 0.325 nan 8.360 nan 0.000 0.466 350 Y N 1.817 122.138 120.300 0.036 0.000 2.145 350 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 350 Y C 1.625 177.557 175.900 0.054 0.000 1.145 350 Y CA 2.166 60.303 58.100 0.060 0.000 1.148 350 Y CB -0.256 38.260 38.460 0.094 0.000 0.981 350 Y HN 0.036 nan 8.280 nan 0.000 0.507 351 E N -0.690 119.197 120.200 -0.523 0.000 2.299 351 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 351 E C 1.664 177.929 176.600 -0.558 0.000 0.998 351 E CA 0.816 56.781 56.400 -0.725 0.000 0.851 351 E CB -0.180 29.234 29.700 -0.476 0.000 0.795 351 E HN 0.410 nan 8.360 nan 0.000 0.492 352 E N 1.154 121.166 120.200 -0.312 0.000 2.274 352 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 352 E C 1.972 178.453 176.600 -0.199 0.000 0.996 352 E CA 0.949 57.207 56.400 -0.238 0.000 0.840 352 E CB -0.012 29.606 29.700 -0.136 0.000 0.772 352 E HN 0.379 nan 8.360 nan 0.000 0.491 353 A N 1.213 123.932 122.820 -0.170 0.000 1.897 353 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 353 A C 2.085 179.583 177.584 -0.144 0.000 1.181 353 A CA 0.924 52.896 52.037 -0.108 0.000 0.620 353 A CB 0.025 19.013 19.000 -0.020 0.000 0.821 353 A HN -0.009 nan 8.150 nan 0.000 0.443 354 R N -1.215 119.138 120.500 -0.244 0.000 2.206 354 R HA 0.154 4.494 4.340 -0.000 0.000 0.198 354 R C 2.175 178.297 176.300 -0.295 0.000 0.986 354 R CA 0.628 56.630 56.100 -0.163 0.000 1.029 354 R CB -0.476 29.844 30.300 0.033 0.000 0.966 354 R HN 0.577 nan 8.270 nan 0.000 0.487 355 R N 1.359 121.388 120.500 -0.785 0.000 2.073 355 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 355 R C -0.834 175.243 176.300 -0.371 0.000 1.134 355 R CA 1.425 56.934 56.100 -0.986 0.000 0.952 355 R CB -0.818 28.581 30.300 -1.502 0.000 0.850 355 R HN 0.067 nan 8.270 nan 0.000 0.433 356 P HA -0.030 nan 4.420 nan 0.000 0.217 356 P C 0.905 178.144 177.300 -0.102 0.000 1.151 356 P CA 1.470 64.474 63.100 -0.161 0.000 0.828 356 P CB -0.034 31.583 31.700 -0.140 0.000 0.788 357 T N -0.143 114.353 114.554 -0.097 0.000 2.652 357 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 357 T C 1.952 176.618 174.700 -0.057 0.000 1.039 357 T CA 1.835 63.897 62.100 -0.064 0.000 1.153 357 T CB -1.129 67.706 68.868 -0.056 0.000 0.863 357 T HN 0.045 nan 8.240 nan 0.000 0.428 358 A N 2.475 125.267 122.820 -0.047 0.000 1.908 358 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 358 A C 2.242 179.834 177.584 0.014 0.000 1.181 358 A CA 1.727 53.745 52.037 -0.032 0.000 0.627 358 A CB -0.703 18.374 19.000 0.129 0.000 0.818 358 A HN 0.407 nan 8.150 nan 0.000 0.445 359 N N -0.130 118.586 118.700 0.025 0.000 2.244 359 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 359 N C 1.550 177.049 175.510 -0.017 0.000 1.016 359 N CA 1.331 54.387 53.050 0.010 0.000 0.866 359 N CB -0.319 38.165 38.487 -0.006 0.000 0.980 359 N HN 0.571 nan 8.380 nan 0.000 0.430 360 K N 0.485 120.868 120.400 -0.028 0.000 2.063 360 K HA -0.009 4.311 4.320 -0.000 0.000 0.208 360 K C 1.897 178.483 176.600 -0.023 0.000 1.048 360 K CA 0.944 57.216 56.287 -0.026 0.000 0.928 360 K CB -0.084 32.399 32.500 -0.029 0.000 0.713 360 K HN 0.189 nan 8.250 nan 0.000 0.442 361 I N 0.457 121.009 120.570 -0.030 0.000 2.286 361 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 361 I C 2.113 178.203 176.117 -0.045 0.000 1.104 361 I CA 0.944 62.225 61.300 -0.031 0.000 1.397 361 I CB -0.289 37.687 38.000 -0.040 0.000 1.072 361 I HN 0.060 nan 8.210 nan 0.000 0.417 362 I N 0.961 121.496 120.570 -0.058 0.000 2.118 362 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 362 I C 2.481 178.552 176.117 -0.077 0.000 1.070 362 I CA 1.771 63.011 61.300 -0.099 0.000 1.327 362 I CB -0.396 37.560 38.000 -0.073 0.000 1.034 362 I HN 0.182 nan 8.210 nan 0.000 0.405 363 L N 0.138 121.339 121.223 -0.036 0.000 2.141 363 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 363 L C 2.769 179.641 176.870 0.003 0.000 1.094 363 L CA 1.167 55.998 54.840 -0.015 0.000 0.763 363 L CB -0.765 41.289 42.059 -0.008 0.000 0.908 363 L HN 0.266 nan 8.230 nan 0.000 0.437 364 A N 0.133 122.954 122.820 0.003 0.000 1.897 364 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 364 A C 2.056 179.670 177.584 0.049 0.000 1.181 364 A CA 1.573 53.623 52.037 0.021 0.000 0.620 364 A CB -0.679 18.330 19.000 0.015 0.000 0.821 364 A HN 0.448 nan 8.150 nan 0.000 0.443 365 N N -0.568 118.159 118.700 0.045 0.000 2.061 365 N HA -0.208 4.532 4.740 -0.000 0.000 0.193 365 N C 2.035 177.661 175.510 0.192 0.000 1.030 365 N CA 1.496 54.612 53.050 0.111 0.000 0.856 365 N CB -0.184 38.319 38.487 0.026 0.000 1.023 365 N HN 0.458 nan 8.380 nan 0.000 0.424 366 R N 0.760 121.335 120.500 0.125 0.000 2.073 366 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 366 R C 2.144 178.531 176.300 0.146 0.000 1.134 366 R CA 1.206 57.414 56.100 0.179 0.000 0.952 366 R CB -0.222 30.132 30.300 0.090 0.000 0.850 366 R HN 0.195 nan 8.270 nan 0.000 0.433 367 E N 0.890 121.148 120.200 0.096 0.000 2.051 367 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 367 E C 1.934 178.586 176.600 0.087 0.000 0.991 367 E CA 1.436 57.883 56.400 0.078 0.000 0.799 367 E CB 0.038 29.768 29.700 0.049 0.000 0.748 367 E HN 0.148 nan 8.360 nan 0.000 0.449 368 R N 0.042 120.600 120.500 0.096 0.000 2.083 368 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 368 R C 2.354 178.741 176.300 0.144 0.000 1.137 368 R CA 1.622 57.784 56.100 0.103 0.000 0.951 368 R CB -0.323 30.045 30.300 0.113 0.000 0.851 368 R HN 0.147 nan 8.270 nan 0.000 0.434 369 E N 0.820 121.136 120.200 0.194 0.000 2.051 369 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 369 E C 1.808 178.536 176.600 0.214 0.000 0.991 369 E CA 1.432 57.970 56.400 0.231 0.000 0.799 369 E CB -0.014 29.816 29.700 0.217 0.000 0.748 369 E HN 0.121 nan 8.360 nan 0.000 0.449 370 K N 0.454 120.958 120.400 0.173 0.000 2.020 370 K HA -0.264 4.056 4.320 -0.000 0.000 0.212 370 K C 2.205 178.908 176.600 0.172 0.000 1.050 370 K CA 1.901 58.296 56.287 0.181 0.000 0.929 370 K CB -0.231 32.346 32.500 0.128 0.000 0.714 370 K HN 0.241 nan 8.250 nan 0.000 0.443 371 E N 0.641 120.894 120.200 0.088 0.000 2.077 371 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 371 E C 1.507 178.065 176.600 -0.070 0.000 0.989 371 E CA 1.573 57.979 56.400 0.011 0.000 0.800 371 E CB -0.042 29.657 29.700 -0.002 0.000 0.746 371 E HN 0.451 nan 8.360 nan 0.000 0.452 372 E N 0.299 120.449 120.200 -0.084 0.000 2.150 372 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 372 E C 1.842 178.175 176.600 -0.444 0.000 0.985 372 E CA 1.025 57.208 56.400 -0.361 0.000 0.814 372 E CB -0.440 29.039 29.700 -0.370 0.000 0.752 372 E HN 0.533 nan 8.360 nan 0.000 0.466 373 W N 1.852 123.000 121.300 -0.252 0.000 2.379 373 W HA -0.125 4.535 4.660 -0.000 0.000 0.307 373 W C 2.110 178.547 176.519 -0.137 0.000 1.200 373 W CA 1.520 58.776 57.345 -0.149 0.000 1.297 373 W CB -0.299 29.171 29.460 0.016 0.000 1.140 373 W HN 0.070 nan 8.180 nan 0.000 0.507 374 A N 1.640 124.309 122.820 -0.252 0.000 1.892 374 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 374 A C 2.239 179.614 177.584 -0.349 0.000 1.188 374 A CA 3.134 54.978 52.037 -0.323 0.000 0.631 374 A CB -1.425 17.516 19.000 -0.098 0.000 0.822 374 A HN 0.419 nan 8.150 nan 0.000 0.447 375 A N -0.358 122.279 122.820 -0.305 0.000 1.933 375 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 375 A C 2.468 179.851 177.584 -0.334 0.000 1.175 375 A CA 2.029 53.891 52.037 -0.292 0.000 0.628 375 A CB -0.953 17.874 19.000 -0.289 0.000 0.814 375 A HN 1.141 nan 8.150 nan 0.000 0.444 376 A N -0.836 121.723 122.820 -0.436 0.000 2.015 376 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 376 A C 2.298 179.675 177.584 -0.344 0.000 1.163 376 A CA 1.866 53.689 52.037 -0.357 0.000 0.646 376 A CB -0.506 18.298 19.000 -0.327 0.000 0.806 376 A HN 0.432 nan 8.150 nan 0.000 0.448 377 S N -0.564 114.835 115.700 -0.501 0.000 2.478 377 S HA 0.077 4.547 4.470 -0.000 0.000 0.222 377 S C 0.944 175.376 174.600 -0.281 0.000 1.008 377 S CA -0.187 57.717 58.200 -0.494 0.000 0.928 377 S CB -0.024 62.705 63.200 -0.785 0.000 0.781 377 S HN 0.573 nan 8.310 nan 0.000 0.518 378 R N 2.356 122.713 120.500 -0.237 0.000 2.623 378 R HA 0.210 4.550 4.340 -0.000 0.000 0.271 378 R C -2.029 174.198 176.300 -0.122 0.000 1.043 378 R CA -0.820 55.187 56.100 -0.155 0.000 1.083 378 R CB -0.344 29.873 30.300 -0.139 0.000 0.974 378 R HN 0.247 nan 8.270 nan 0.000 0.436 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 63.060 63.100 -0.066 0.000 0.800 379 P CB 0.000 31.672 31.700 -0.047 0.000 0.726