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 2nyf_1_A DATA FIRST_RESID 24 DATA SEQUENCE SIVTVGDRNL TIDEVVNVAR HGTQVRLTDN ADVIRGVQAS CDYINNAVET DATA SEQUENCE AXXXXXXXXX XXXXXXXXIS REQAAELQTN LIWFLKSGAG NKLSLADVRA DATA SEQUENCE AMLLRANSHL YGASGIRLEL IQRIETFLNA GVTPHVYEFG SIGXXXDLVP DATA SEQUENCE LSYITGALIG LDPSFTVDFD GKEMDAVTAL SRLGLPKLQL QPKEGLAMMN DATA SEQUENCE GTSVMTGIAA NCVYDAKVLL ALTMGVHALA IQGLYGTNQS FHPFIHQCKP DATA SEQUENCE HPGQLWTADQ MFSLLKDSSL VREEXXXXXX XXXXXXXQDR YSLRCLAQFI DATA SEQUENCE GPIVDGVSEI TKQIEVEMNS VTDNPLIDVE NQVSYHGGNF LGQYVGVTMD DATA SEQUENCE RLRYYIGLLA KHIDVQIALL VSPEFSNGLP PSLVGNSDRK VNMGLKGLQI DATA SEQUENCE SGNSIMPLLS FYGNSLADRF PTHAEQFNQN INSQGYISAN LTRRSVDIFQ DATA SEQUENCE NYMAIALMFG VQAVDLRTYK MKGHYDARTC LSPNTVQLYT AVCEVVGKPL DATA SEQUENCE TSVRPYIWND NEQCLDEHIA RISADIAGGG LIVQAVEHIF SSL 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 24 S HA 0.000 nan 4.470 nan 0.000 0.327 24 S C 0.000 174.592 174.600 -0.013 0.000 1.055 24 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 24 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 25 I N 1.782 122.344 120.570 -0.013 0.000 2.569 25 I HA 0.665 4.835 4.170 -0.001 0.000 0.290 25 I C -1.218 174.891 176.117 -0.014 0.000 1.088 25 I CA -1.004 60.289 61.300 -0.012 0.000 1.047 25 I CB 1.952 39.946 38.000 -0.010 0.000 1.237 25 I HN 0.317 nan 8.210 nan 0.000 0.421 26 V N 5.761 125.666 119.914 -0.015 0.000 2.432 26 V HA 0.303 4.422 4.120 -0.001 0.000 0.275 26 V C 0.301 176.382 176.094 -0.022 0.000 1.043 26 V CA -0.253 62.035 62.300 -0.019 0.000 0.925 26 V CB 1.206 33.017 31.823 -0.020 0.000 0.985 26 V HN 0.765 nan 8.190 nan 0.000 0.466 27 T N 5.436 119.975 114.554 -0.025 0.000 2.758 27 T HA 0.557 4.906 4.350 -0.001 0.000 0.285 27 T C -0.474 174.202 174.700 -0.040 0.000 0.981 27 T CA -0.347 61.735 62.100 -0.030 0.000 0.965 27 T CB 0.847 69.698 68.868 -0.027 0.000 0.927 27 T HN 0.373 nan 8.240 nan 0.000 0.448 28 V N 4.924 124.808 119.914 -0.049 0.000 2.644 28 V HA 0.690 4.809 4.120 -0.001 0.000 0.295 28 V C 1.678 177.715 176.094 -0.095 0.000 1.053 28 V CA 0.621 62.878 62.300 -0.070 0.000 0.987 28 V CB 0.939 32.719 31.823 -0.071 0.000 1.006 28 V HN 1.237 nan 8.190 nan 0.000 0.472 29 G N 3.220 111.935 108.800 -0.142 0.000 2.345 29 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 29 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 29 G C 0.693 175.506 174.900 -0.145 0.000 1.058 29 G CA 0.762 45.749 45.100 -0.188 0.000 0.632 29 G HN 0.771 nan 8.290 nan 0.000 0.508 30 D N 0.968 121.318 120.400 -0.084 0.000 2.146 30 D HA 0.133 4.772 4.640 -0.001 0.000 0.209 30 D C 1.547 177.830 176.300 -0.028 0.000 0.973 30 D CA 1.346 55.317 54.000 -0.049 0.000 0.860 30 D CB 0.061 40.841 40.800 -0.033 0.000 1.015 30 D HN 0.766 nan 8.370 nan 0.000 0.465 31 R N -0.069 120.417 120.500 -0.023 0.000 2.787 31 R HA 0.461 4.801 4.340 -0.001 0.000 0.271 31 R C -0.534 175.770 176.300 0.008 0.000 0.993 31 R CA -0.885 55.215 56.100 -0.001 0.000 0.993 31 R CB 0.515 30.813 30.300 -0.003 0.000 1.155 31 R HN -0.135 nan 8.270 nan 0.000 0.486 32 N N 1.667 120.388 118.700 0.035 0.000 2.483 32 N HA 0.073 4.813 4.740 -0.001 0.000 0.264 32 N C -0.079 175.447 175.510 0.026 0.000 1.197 32 N CA 0.063 53.146 53.050 0.054 0.000 0.927 32 N CB 0.630 39.152 38.487 0.058 0.000 1.065 32 N HN 0.410 nan 8.380 nan 0.000 0.461 33 L N 1.419 122.657 121.223 0.024 0.000 2.461 33 L HA 0.107 4.446 4.340 -0.001 0.000 0.272 33 L C 1.316 178.192 176.870 0.011 0.000 1.197 33 L CA 0.009 54.854 54.840 0.008 0.000 0.836 33 L CB 0.339 42.400 42.059 0.003 0.000 1.105 33 L HN 0.590 nan 8.230 nan 0.000 0.477 34 T N -1.282 113.275 114.554 0.005 0.000 2.950 34 T HA 0.414 4.763 4.350 -0.001 0.000 0.288 34 T C 1.389 176.097 174.700 0.013 0.000 1.035 34 T CA -0.883 61.224 62.100 0.011 0.000 1.028 34 T CB 1.458 70.330 68.868 0.007 0.000 1.109 34 T HN 0.532 nan 8.240 nan 0.000 0.514 35 I N -0.612 119.980 120.570 0.037 0.000 2.151 35 I HA -0.162 4.007 4.170 -0.001 0.000 0.243 35 I C 1.540 177.660 176.117 0.005 0.000 1.080 35 I CA 1.669 63.001 61.300 0.052 0.000 1.339 35 I CB -0.832 37.248 38.000 0.132 0.000 1.039 35 I HN 0.470 nan 8.210 nan 0.000 0.409 36 D N 1.371 121.779 120.400 0.013 0.000 2.182 36 D HA -0.179 4.460 4.640 -0.001 0.000 0.201 36 D C 2.131 178.384 176.300 -0.078 0.000 0.986 36 D CA 1.490 55.459 54.000 -0.052 0.000 0.847 36 D CB -0.270 40.515 40.800 -0.025 0.000 0.942 36 D HN 0.624 nan 8.370 nan 0.000 0.467 37 E N 0.358 120.531 120.200 -0.045 0.000 2.047 37 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 37 E C 2.371 178.940 176.600 -0.051 0.000 0.987 37 E CA 0.636 57.012 56.400 -0.039 0.000 0.799 37 E CB 0.098 29.783 29.700 -0.025 0.000 0.752 37 E HN 0.110 nan 8.360 nan 0.000 0.449 38 V N 1.247 121.128 119.914 -0.054 0.000 2.407 38 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 38 V C 2.376 178.409 176.094 -0.102 0.000 1.055 38 V CA 1.201 63.466 62.300 -0.059 0.000 1.049 38 V CB -0.438 31.361 31.823 -0.039 0.000 0.662 38 V HN 0.106 nan 8.190 nan 0.000 0.455 39 V N 0.766 120.577 119.914 -0.172 0.000 2.261 39 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 39 V C 2.379 178.343 176.094 -0.215 0.000 1.047 39 V CA 2.172 64.298 62.300 -0.291 0.000 1.015 39 V CB -0.938 30.487 31.823 -0.664 0.000 0.642 39 V HN 0.551 nan 8.190 nan 0.000 0.446 40 N N 0.642 119.297 118.700 -0.074 0.000 2.061 40 N HA -0.163 4.576 4.740 -0.001 0.000 0.193 40 N C 1.811 177.338 175.510 0.029 0.000 1.030 40 N CA 1.728 54.856 53.050 0.131 0.000 0.856 40 N CB -0.768 37.772 38.487 0.087 0.000 1.023 40 N HN 0.393 nan 8.380 nan 0.000 0.424 41 V N 1.291 121.192 119.914 -0.021 0.000 2.407 41 V HA -0.151 3.968 4.120 -0.001 0.000 0.248 41 V C 2.376 178.440 176.094 -0.050 0.000 1.055 41 V CA 1.802 64.087 62.300 -0.026 0.000 1.049 41 V CB -0.864 30.941 31.823 -0.029 0.000 0.662 41 V HN 0.340 nan 8.190 nan 0.000 0.455 42 A N -0.464 122.305 122.820 -0.085 0.000 1.878 42 A HA -0.032 4.287 4.320 -0.001 0.000 0.213 42 A C 2.402 179.904 177.584 -0.136 0.000 1.192 42 A CA 0.856 52.836 52.037 -0.094 0.000 0.619 42 A CB -0.241 18.704 19.000 -0.092 0.000 0.837 42 A HN 0.371 nan 8.150 nan 0.000 0.446 43 R N -0.788 119.566 120.500 -0.242 0.000 2.090 43 R HA 0.043 4.382 4.340 -0.001 0.000 0.219 43 R C 1.355 177.426 176.300 -0.381 0.000 1.100 43 R CA 1.466 57.346 56.100 -0.367 0.000 0.991 43 R CB -0.654 29.292 30.300 -0.591 0.000 0.893 43 R HN 0.755 nan 8.270 nan 0.000 0.443 44 H N -0.917 118.127 119.070 -0.043 0.000 2.539 44 H HA 0.213 4.768 4.556 -0.001 0.000 0.269 44 H C 1.016 176.328 175.328 -0.027 0.000 0.980 44 H CA 0.376 56.405 56.048 -0.031 0.000 1.152 44 H CB 0.500 30.242 29.762 -0.034 0.000 1.407 44 H HN 0.469 nan 8.280 nan 0.000 0.564 45 G N 1.118 109.935 108.800 0.028 0.000 2.175 45 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.265 45 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.265 45 G C 0.560 175.473 174.900 0.020 0.000 0.979 45 G CA 0.505 45.613 45.100 0.014 0.000 0.663 45 G HN 0.412 nan 8.290 nan 0.000 0.533 46 T N 1.607 116.182 114.554 0.036 0.000 2.898 46 T HA 0.228 4.577 4.350 -0.001 0.000 0.331 46 T C 0.698 175.401 174.700 0.005 0.000 1.085 46 T CA 0.481 62.594 62.100 0.022 0.000 1.129 46 T CB 0.565 69.447 68.868 0.022 0.000 1.054 46 T HN 0.382 nan 8.240 nan 0.000 0.540 47 Q N 1.201 121.001 119.800 0.001 0.000 2.259 47 Q HA 0.474 4.813 4.340 -0.001 0.000 0.246 47 Q C -0.315 175.681 176.000 -0.007 0.000 0.920 47 Q CA -0.357 55.444 55.803 -0.003 0.000 0.895 47 Q CB 1.445 30.182 28.738 -0.002 0.000 1.220 47 Q HN 0.403 nan 8.270 nan 0.000 0.439 48 V N 2.396 122.305 119.914 -0.008 0.000 2.715 48 V HA 0.625 4.744 4.120 -0.001 0.000 0.310 48 V C -0.263 175.824 176.094 -0.012 0.000 1.054 48 V CA -0.881 61.411 62.300 -0.013 0.000 0.928 48 V CB 2.090 33.904 31.823 -0.015 0.000 1.007 48 V HN 0.800 nan 8.190 nan 0.000 0.437 49 R N 3.469 123.958 120.500 -0.018 0.000 2.512 49 R HA 0.593 4.933 4.340 -0.001 0.000 0.291 49 R C -1.863 174.422 176.300 -0.025 0.000 1.097 49 R CA -0.801 55.289 56.100 -0.018 0.000 0.940 49 R CB 0.942 31.233 30.300 -0.015 0.000 1.198 49 R HN 0.557 nan 8.270 nan 0.000 0.429 50 L N 3.126 124.333 121.223 -0.026 0.000 2.410 50 L HA 0.150 4.490 4.340 -0.001 0.000 0.273 50 L C 1.107 177.958 176.870 -0.033 0.000 1.144 50 L CA -0.066 54.753 54.840 -0.035 0.000 0.863 50 L CB 1.134 43.173 42.059 -0.033 0.000 1.140 50 L HN 0.753 nan 8.230 nan 0.000 0.463 51 T N 1.053 115.583 114.554 -0.040 0.000 2.848 51 T HA -0.093 4.256 4.350 -0.001 0.000 0.340 51 T C 0.753 175.436 174.700 -0.028 0.000 1.091 51 T CA 0.203 62.282 62.100 -0.034 0.000 1.123 51 T CB 0.297 69.139 68.868 -0.043 0.000 1.042 51 T HN 0.813 nan 8.240 nan 0.000 0.544 52 D N 1.324 121.711 120.400 -0.021 0.000 2.369 52 D HA 0.049 4.688 4.640 -0.001 0.000 0.211 52 D C 0.582 176.873 176.300 -0.015 0.000 1.077 52 D CA -0.330 53.660 54.000 -0.017 0.000 0.842 52 D CB -0.482 40.311 40.800 -0.012 0.000 0.947 52 D HN 0.408 nan 8.370 nan 0.000 0.509 53 N N 1.360 120.049 118.700 -0.018 0.000 2.386 53 N HA -0.066 4.673 4.740 -0.001 0.000 0.273 53 N C 1.229 176.731 175.510 -0.012 0.000 1.331 53 N CA 0.503 53.544 53.050 -0.015 0.000 0.891 53 N CB 1.050 39.525 38.487 -0.019 0.000 1.139 53 N HN 0.175 nan 8.380 nan 0.000 0.487 54 A N 4.709 127.524 122.820 -0.007 0.000 1.908 54 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 54 A C 1.716 179.299 177.584 -0.002 0.000 1.181 54 A CA 1.563 53.598 52.037 -0.004 0.000 0.627 54 A CB -0.271 18.728 19.000 -0.001 0.000 0.818 54 A HN 0.809 nan 8.150 nan 0.000 0.445 55 D N -0.104 120.296 120.400 -0.001 0.000 2.126 55 D HA -0.159 4.481 4.640 -0.001 0.000 0.190 55 D C 2.130 178.431 176.300 0.001 0.000 1.001 55 D CA 1.987 55.989 54.000 0.003 0.000 0.841 55 D CB -0.427 40.376 40.800 0.004 0.000 0.949 55 D HN 0.285 nan 8.370 nan 0.000 0.446 56 V N 1.876 121.785 119.914 -0.008 0.000 2.237 56 V HA -0.236 3.884 4.120 -0.001 0.000 0.245 56 V C 2.655 178.740 176.094 -0.014 0.000 1.046 56 V CA 1.303 63.592 62.300 -0.018 0.000 1.007 56 V CB -0.563 31.234 31.823 -0.043 0.000 0.638 56 V HN 0.177 nan 8.190 nan 0.000 0.445 57 I N -0.188 120.374 120.570 -0.014 0.000 2.248 57 I HA -0.305 3.865 4.170 -0.001 0.000 0.248 57 I C 2.761 178.878 176.117 -0.001 0.000 1.107 57 I CA 1.899 63.193 61.300 -0.010 0.000 1.373 57 I CB -0.497 37.498 38.000 -0.009 0.000 1.055 57 I HN 0.259 nan 8.210 nan 0.000 0.418 58 R N 1.157 121.659 120.500 0.003 0.000 2.115 58 R HA -0.112 4.228 4.340 -0.001 0.000 0.230 58 R C 2.328 178.637 176.300 0.015 0.000 1.111 58 R CA 1.413 57.519 56.100 0.009 0.000 0.976 58 R CB -0.358 29.948 30.300 0.010 0.000 0.870 58 R HN 0.415 nan 8.270 nan 0.000 0.445 59 G N -0.218 108.591 108.800 0.015 0.000 2.408 59 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.217 59 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.217 59 G C 1.326 176.240 174.900 0.023 0.000 1.150 59 G CA 0.658 45.772 45.100 0.023 0.000 0.776 59 G HN 0.202 nan 8.290 nan 0.000 0.542 60 V N 0.394 120.317 119.914 0.015 0.000 2.379 60 V HA -0.152 3.968 4.120 -0.001 0.000 0.245 60 V C 2.698 178.799 176.094 0.013 0.000 1.044 60 V CA 2.061 64.370 62.300 0.014 0.000 1.036 60 V CB -0.223 31.603 31.823 0.005 0.000 0.664 60 V HN 0.401 nan 8.190 nan 0.000 0.453 61 Q N 0.721 120.529 119.800 0.013 0.000 2.123 61 Q HA -0.026 4.313 4.340 -0.001 0.000 0.199 61 Q C 2.102 178.119 176.000 0.028 0.000 0.966 61 Q CA 1.875 57.687 55.803 0.015 0.000 0.845 61 Q CB -0.534 28.211 28.738 0.012 0.000 0.907 61 Q HN 0.567 nan 8.270 nan 0.000 0.439 62 A N -0.131 122.709 122.820 0.033 0.000 1.902 62 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 62 A C 2.235 179.861 177.584 0.070 0.000 1.181 62 A CA 1.961 54.026 52.037 0.048 0.000 0.623 62 A CB -0.903 18.122 19.000 0.041 0.000 0.818 62 A HN 0.568 nan 8.150 nan 0.000 0.443 63 S N -0.819 114.911 115.700 0.050 0.000 2.402 63 S HA -0.171 4.298 4.470 -0.001 0.000 0.229 63 S C 1.856 176.511 174.600 0.091 0.000 1.021 63 S CA 1.296 59.526 58.200 0.050 0.000 0.974 63 S CB -1.186 62.024 63.200 0.017 0.000 0.800 63 S HN 0.600 nan 8.310 nan 0.000 0.484 64 C N 2.263 121.600 119.300 0.062 0.000 2.466 64 C HA 0.040 4.499 4.460 -0.001 0.000 0.278 64 C C 2.523 177.556 174.990 0.070 0.000 1.288 64 C CA 0.304 59.354 59.018 0.054 0.000 1.722 64 C CB -1.103 26.650 27.740 0.021 0.000 2.017 64 C HN 0.566 nan 8.230 nan 0.000 0.488 65 D N -0.082 120.360 120.400 0.071 0.000 2.144 65 D HA -0.166 4.474 4.640 -0.001 0.000 0.199 65 D C 1.678 178.022 176.300 0.073 0.000 0.984 65 D CA 1.302 55.336 54.000 0.056 0.000 0.834 65 D CB -0.584 40.245 40.800 0.048 0.000 0.955 65 D HN 0.664 nan 8.370 nan 0.000 0.465 66 Y N 1.558 121.857 120.300 -0.002 0.000 2.151 66 Y HA -0.245 4.305 4.550 -0.001 0.000 0.284 66 Y C 2.140 178.036 175.900 -0.006 0.000 1.166 66 Y CA 1.361 59.459 58.100 -0.003 0.000 1.163 66 Y CB -0.069 38.392 38.460 0.001 0.000 0.974 66 Y HN -0.131 nan 8.280 nan 0.000 0.511 67 I N 0.695 121.368 120.570 0.172 0.000 2.202 67 I HA -0.292 3.878 4.170 -0.001 0.000 0.242 67 I C 1.925 178.031 176.117 -0.020 0.000 1.091 67 I CA 1.275 62.623 61.300 0.080 0.000 1.368 67 I CB -1.541 36.520 38.000 0.101 0.000 1.058 67 I HN 0.377 nan 8.210 nan 0.000 0.410 68 N N 1.588 120.284 118.700 -0.006 0.000 2.061 68 N HA -0.212 4.528 4.740 -0.001 0.000 0.193 68 N C 1.467 176.943 175.510 -0.056 0.000 1.030 68 N CA 1.458 54.494 53.050 -0.023 0.000 0.856 68 N CB -0.763 37.719 38.487 -0.009 0.000 1.023 68 N HN 0.537 nan 8.380 nan 0.000 0.424 69 N N 0.940 119.589 118.700 -0.085 0.000 2.364 69 N HA -0.062 4.677 4.740 -0.001 0.000 0.183 69 N C 1.473 176.889 175.510 -0.157 0.000 1.022 69 N CA 0.703 53.684 53.050 -0.116 0.000 0.883 69 N CB -0.019 38.386 38.487 -0.138 0.000 0.965 69 N HN 0.259 nan 8.380 nan 0.000 0.438 70 A N 0.622 123.323 122.820 -0.198 0.000 2.119 70 A HA 0.022 4.342 4.320 -0.001 0.000 0.216 70 A C 2.181 179.703 177.584 -0.103 0.000 1.152 70 A CA 0.633 52.556 52.037 -0.190 0.000 0.708 70 A CB 0.010 18.886 19.000 -0.207 0.000 0.805 70 A HN 0.096 nan 8.150 nan 0.000 0.460 71 V N -0.674 119.194 119.914 -0.075 0.000 3.174 71 V HA -0.086 4.033 4.120 -0.001 0.000 0.254 71 V C 2.041 178.107 176.094 -0.046 0.000 1.120 71 V CA 1.239 63.510 62.300 -0.048 0.000 1.114 71 V CB -0.553 31.251 31.823 -0.031 0.000 0.756 71 V HN 0.546 nan 8.190 nan 0.000 0.467 72 E N 1.385 121.553 120.200 -0.054 0.000 2.031 72 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 72 E C 2.418 178.991 176.600 -0.045 0.000 0.994 72 E CA 2.196 58.569 56.400 -0.045 0.000 0.800 72 E CB -0.291 29.380 29.700 -0.048 0.000 0.752 72 E HN 0.806 nan 8.360 nan 0.000 0.447 73 T N -0.952 113.567 114.554 -0.059 0.000 2.701 73 T HA 0.070 4.419 4.350 -0.001 0.000 0.263 73 T C 0.787 175.461 174.700 -0.044 0.000 1.040 73 T CA 0.846 62.914 62.100 -0.053 0.000 1.147 73 T CB 0.042 68.869 68.868 -0.068 0.000 0.865 73 T HN 0.186 nan 8.240 nan 0.000 0.426 93 S N 5.485 121.183 115.700 -0.004 0.000 2.565 93 S HA 0.562 5.032 4.470 -0.001 0.000 0.290 93 S C 1.338 175.937 174.600 -0.002 0.000 1.150 93 S CA -0.557 57.640 58.200 -0.005 0.000 1.058 93 S CB 1.739 64.937 63.200 -0.003 0.000 1.032 93 S HN 0.747 nan 8.310 nan 0.000 0.510 94 R N 2.288 122.786 120.500 -0.004 0.000 2.140 94 R HA -0.171 4.169 4.340 -0.001 0.000 0.250 94 R C 1.788 178.090 176.300 0.004 0.000 1.150 94 R CA 2.304 58.404 56.100 -0.001 0.000 0.966 94 R CB -0.356 29.942 30.300 -0.004 0.000 0.869 94 R HN 0.743 nan 8.270 nan 0.000 0.445 95 E N 0.615 120.818 120.200 0.004 0.000 2.072 95 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 95 E C 2.187 178.795 176.600 0.013 0.000 0.985 95 E CA 0.975 57.380 56.400 0.008 0.000 0.801 95 E CB -0.010 29.694 29.700 0.006 0.000 0.750 95 E HN 0.497 nan 8.360 nan 0.000 0.452 96 Q N 0.412 120.219 119.800 0.011 0.000 2.083 96 Q HA -0.032 4.308 4.340 -0.001 0.000 0.198 96 Q C 2.163 178.175 176.000 0.020 0.000 0.969 96 Q CA 1.134 56.945 55.803 0.014 0.000 0.838 96 Q CB -0.101 28.642 28.738 0.009 0.000 0.900 96 Q HN 0.176 nan 8.270 nan 0.000 0.436 97 A N 0.684 123.514 122.820 0.016 0.000 2.172 97 A HA 0.072 4.392 4.320 -0.001 0.000 0.216 97 A C 2.020 179.619 177.584 0.025 0.000 1.154 97 A CA 1.265 53.314 52.037 0.020 0.000 0.701 97 A CB -0.273 18.735 19.000 0.014 0.000 0.789 97 A HN 0.357 nan 8.150 nan 0.000 0.465 98 A N -0.773 122.061 122.820 0.023 0.000 2.063 98 A HA 0.127 4.446 4.320 -0.001 0.000 0.211 98 A C 1.861 179.469 177.584 0.039 0.000 1.177 98 A CA 1.023 53.075 52.037 0.024 0.000 0.759 98 A CB -0.202 18.808 19.000 0.016 0.000 0.857 98 A HN 0.550 nan 8.150 nan 0.000 0.468 99 E N 0.098 120.324 120.200 0.043 0.000 2.107 99 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 99 E C 1.796 178.445 176.600 0.081 0.000 0.982 99 E CA 0.717 57.154 56.400 0.061 0.000 0.809 99 E CB -0.152 29.576 29.700 0.047 0.000 0.756 99 E HN 0.585 nan 8.360 nan 0.000 0.459 100 L N 0.848 122.112 121.223 0.068 0.000 1.989 100 L HA -0.259 4.081 4.340 -0.001 0.000 0.211 100 L C 2.746 179.679 176.870 0.105 0.000 1.071 100 L CA 1.230 56.121 54.840 0.084 0.000 0.749 100 L CB -0.359 41.737 42.059 0.062 0.000 0.890 100 L HN 0.201 nan 8.230 nan 0.000 0.431 101 Q N -0.827 119.017 119.800 0.074 0.000 2.181 101 Q HA -0.175 4.165 4.340 -0.001 0.000 0.205 101 Q C 2.162 178.197 176.000 0.059 0.000 0.980 101 Q CA 2.017 57.855 55.803 0.059 0.000 0.862 101 Q CB -0.683 28.072 28.738 0.028 0.000 0.905 101 Q HN 0.503 nan 8.270 nan 0.000 0.429 102 T N 0.766 115.367 114.554 0.079 0.000 2.937 102 T HA -0.065 4.284 4.350 -0.001 0.000 0.260 102 T C 1.633 176.460 174.700 0.213 0.000 1.051 102 T CA 1.130 63.288 62.100 0.096 0.000 1.141 102 T CB -0.198 68.737 68.868 0.113 0.000 0.879 102 T HN 0.318 nan 8.240 nan 0.000 0.459 103 N N 0.709 119.566 118.700 0.262 0.000 2.459 103 N HA -0.004 4.736 4.740 -0.001 0.000 0.181 103 N C 1.629 177.404 175.510 0.442 0.000 1.046 103 N CA 0.262 53.541 53.050 0.382 0.000 0.904 103 N CB -0.256 38.387 38.487 0.260 0.000 0.964 103 N HN 0.127 nan 8.380 nan 0.000 0.444 104 L N 0.648 122.055 121.223 0.307 0.000 2.017 104 L HA 0.011 4.351 4.340 -0.001 0.000 0.208 104 L C 1.749 178.541 176.870 -0.129 0.000 1.073 104 L CA 1.521 56.504 54.840 0.239 0.000 0.745 104 L CB -0.537 41.603 42.059 0.134 0.000 0.894 104 L HN 0.261 nan 8.230 nan 0.000 0.432 105 I N -2.000 118.513 120.570 -0.094 0.000 2.264 105 I HA -0.341 3.828 4.170 -0.001 0.000 0.248 105 I C 2.160 178.153 176.117 -0.208 0.000 1.111 105 I CA 1.672 62.837 61.300 -0.225 0.000 1.382 105 I CB -0.460 37.340 38.000 -0.333 0.000 1.060 105 I HN 0.380 nan 8.210 nan 0.000 0.418 106 W N 0.887 122.198 121.300 0.019 0.000 2.379 106 W HA -0.216 4.444 4.660 -0.001 0.000 0.307 106 W C 2.505 179.062 176.519 0.065 0.000 1.200 106 W CA 0.966 58.358 57.345 0.077 0.000 1.297 106 W CB -0.493 29.043 29.460 0.125 0.000 1.140 106 W HN 0.209 nan 8.180 nan 0.000 0.507 107 F N -1.394 118.713 119.950 0.262 0.000 2.558 107 F HA 0.132 4.659 4.527 -0.001 0.000 0.298 107 F C 1.411 177.275 175.800 0.105 0.000 1.119 107 F CA 0.977 59.072 58.000 0.159 0.000 1.451 107 F CB -1.200 37.867 39.000 0.112 0.000 1.091 107 F HN -0.204 nan 8.300 nan 0.000 0.563 108 L N 0.708 121.591 121.223 -0.567 0.000 2.599 108 L HA 0.089 4.429 4.340 -0.001 0.000 0.230 108 L C 1.267 178.048 176.870 -0.149 0.000 1.141 108 L CA 0.363 54.948 54.840 -0.425 0.000 0.877 108 L CB -0.394 41.356 42.059 -0.515 0.000 1.009 108 L HN 0.080 nan 8.230 nan 0.000 0.447 109 K N 1.243 121.563 120.400 -0.132 0.000 2.751 109 K HA 0.060 4.380 4.320 -0.001 0.000 0.252 109 K C 0.438 177.058 176.600 0.034 0.000 1.277 109 K CA -0.066 56.090 56.287 -0.218 0.000 1.226 109 K CB 0.018 32.282 32.500 -0.393 0.000 1.658 109 K HN 0.120 nan 8.250 nan 0.000 0.303 110 S N -0.468 115.315 115.700 0.138 0.000 2.751 110 S HA 0.221 4.691 4.470 -0.001 0.000 0.247 110 S C 0.487 175.114 174.600 0.046 0.000 1.103 110 S CA -0.811 57.443 58.200 0.090 0.000 1.090 110 S CB 0.921 64.165 63.200 0.073 0.000 0.928 110 S HN 0.343 nan 8.310 nan 0.000 0.502 111 G N 0.818 109.666 108.800 0.079 0.000 2.527 111 G HA2 0.632 4.592 3.960 -0.001 0.000 0.248 111 G HA3 0.632 4.592 3.960 -0.001 0.000 0.248 111 G C -0.160 174.317 174.900 -0.705 0.000 1.231 111 G CA -0.055 44.928 45.100 -0.195 0.000 0.838 111 G HN 0.930 nan 8.290 nan 0.000 0.570 112 A N -0.322 122.262 122.820 -0.393 0.000 2.569 112 A HA 1.044 5.364 4.320 -0.001 0.000 0.290 112 A C 0.434 177.969 177.584 -0.081 0.000 1.136 112 A CA 0.429 52.284 52.037 -0.303 0.000 0.710 112 A CB 1.133 20.158 19.000 0.042 0.000 1.303 112 A HN 2.703 nan 8.150 nan 0.000 0.413 113 G N 0.260 109.032 108.800 -0.046 0.000 2.698 113 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.225 113 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.225 113 G C -0.373 174.449 174.900 -0.130 0.000 1.345 113 G CA -0.231 44.681 45.100 -0.312 0.000 0.871 113 G HN 1.103 nan 8.290 nan 0.000 0.540 114 N N 0.627 119.171 118.700 -0.259 0.000 2.326 114 N HA 0.241 4.980 4.740 -0.001 0.000 0.239 114 N C 0.412 175.811 175.510 -0.186 0.000 1.301 114 N CA 0.104 53.058 53.050 -0.160 0.000 0.909 114 N CB 0.238 38.629 38.487 -0.161 0.000 1.156 114 N HN 0.506 nan 8.380 nan 0.000 0.462 115 K N 1.165 121.430 120.400 -0.225 0.000 2.118 115 K HA 0.353 4.672 4.320 -0.001 0.000 0.267 115 K C 0.449 176.913 176.600 -0.228 0.000 0.991 115 K CA -0.490 55.611 56.287 -0.310 0.000 0.916 115 K CB 0.947 33.200 32.500 -0.412 0.000 1.041 115 K HN 0.378 nan 8.250 nan 0.000 0.455 116 L N 1.072 122.177 121.223 -0.197 0.000 2.474 116 L HA 0.028 4.368 4.340 -0.001 0.000 0.259 116 L C 1.141 177.932 176.870 -0.132 0.000 1.232 116 L CA -0.100 54.659 54.840 -0.136 0.000 0.821 116 L CB 0.264 42.275 42.059 -0.080 0.000 1.108 116 L HN 0.719 nan 8.230 nan 0.000 0.495 117 S N 0.440 116.080 115.700 -0.101 0.000 2.565 117 S HA 0.209 4.679 4.470 -0.001 0.000 0.276 117 S C 1.103 175.659 174.600 -0.074 0.000 1.326 117 S CA -0.769 57.377 58.200 -0.089 0.000 1.045 117 S CB 0.876 64.034 63.200 -0.070 0.000 0.918 117 S HN 0.560 nan 8.310 nan 0.000 0.505 118 L N 2.213 123.393 121.223 -0.072 0.000 2.129 118 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 118 L C 2.922 179.766 176.870 -0.043 0.000 1.087 118 L CA 1.745 56.554 54.840 -0.051 0.000 0.757 118 L CB -1.052 40.979 42.059 -0.046 0.000 0.896 118 L HN 0.948 nan 8.230 nan 0.000 0.434 119 A N -0.656 122.132 122.820 -0.053 0.000 1.968 119 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 119 A C 1.917 179.474 177.584 -0.044 0.000 1.169 119 A CA 1.462 53.464 52.037 -0.058 0.000 0.638 119 A CB -0.299 18.655 19.000 -0.077 0.000 0.812 119 A HN 0.311 nan 8.150 nan 0.000 0.446 120 D N -0.129 120.247 120.400 -0.039 0.000 2.117 120 D HA -0.095 4.545 4.640 -0.001 0.000 0.198 120 D C 2.068 178.365 176.300 -0.004 0.000 0.982 120 D CA 1.446 55.431 54.000 -0.025 0.000 0.828 120 D CB -0.230 40.548 40.800 -0.036 0.000 0.967 120 D HN 0.222 nan 8.370 nan 0.000 0.464 121 V N 0.902 120.814 119.914 -0.003 0.000 2.427 121 V HA -0.166 3.953 4.120 -0.001 0.000 0.248 121 V C 2.442 178.549 176.094 0.021 0.000 1.051 121 V CA 1.295 63.608 62.300 0.022 0.000 1.048 121 V CB -0.344 31.495 31.823 0.026 0.000 0.666 121 V HN 0.098 nan 8.190 nan 0.000 0.456 122 R N 0.227 120.729 120.500 0.003 0.000 2.096 122 R HA -0.090 4.249 4.340 -0.001 0.000 0.235 122 R C 2.431 178.727 176.300 -0.007 0.000 1.127 122 R CA 1.450 57.550 56.100 -0.000 0.000 0.968 122 R CB -0.521 29.768 30.300 -0.019 0.000 0.861 122 R HN 0.535 nan 8.270 nan 0.000 0.440 123 A N 1.051 123.862 122.820 -0.014 0.000 1.930 123 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 123 A C 2.328 179.911 177.584 -0.003 0.000 1.175 123 A CA 1.481 53.509 52.037 -0.016 0.000 0.627 123 A CB -0.538 18.451 19.000 -0.019 0.000 0.815 123 A HN 0.386 nan 8.150 nan 0.000 0.443 124 A N -0.142 122.685 122.820 0.012 0.000 1.865 124 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 124 A C 2.281 179.867 177.584 0.003 0.000 1.191 124 A CA 1.932 53.982 52.037 0.022 0.000 0.623 124 A CB -0.641 18.388 19.000 0.048 0.000 0.826 124 A HN 0.520 nan 8.150 nan 0.000 0.444 125 M N -1.273 118.331 119.600 0.006 0.000 2.073 125 M HA -0.204 4.276 4.480 -0.001 0.000 0.258 125 M C 2.273 178.554 176.300 -0.032 0.000 1.070 125 M CA 1.978 57.273 55.300 -0.009 0.000 1.103 125 M CB -0.678 31.929 32.600 0.012 0.000 1.321 125 M HN 0.484 nan 8.290 nan 0.000 0.405 126 L N 1.008 122.217 121.223 -0.024 0.000 2.021 126 L HA -0.212 4.127 4.340 -0.001 0.000 0.215 126 L C 2.111 178.952 176.870 -0.047 0.000 1.074 126 L CA 1.926 56.745 54.840 -0.034 0.000 0.760 126 L CB -0.750 41.293 42.059 -0.028 0.000 0.889 126 L HN 0.292 nan 8.230 nan 0.000 0.433 127 L N -1.187 120.012 121.223 -0.039 0.000 2.141 127 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 127 L C 2.723 179.538 176.870 -0.092 0.000 1.094 127 L CA 1.163 55.978 54.840 -0.042 0.000 0.763 127 L CB -0.589 41.461 42.059 -0.015 0.000 0.908 127 L HN 0.292 nan 8.230 nan 0.000 0.437 128 R N 0.870 121.299 120.500 -0.118 0.000 2.080 128 R HA -0.148 4.191 4.340 -0.001 0.000 0.236 128 R C 2.314 178.382 176.300 -0.386 0.000 1.137 128 R CA 1.846 57.800 56.100 -0.244 0.000 0.943 128 R CB -0.724 29.483 30.300 -0.155 0.000 0.846 128 R HN 0.293 nan 8.270 nan 0.000 0.431 129 A N 0.701 123.399 122.820 -0.202 0.000 1.849 129 A HA -0.301 4.018 4.320 -0.001 0.000 0.217 129 A C 2.071 179.571 177.584 -0.141 0.000 1.202 129 A CA 2.162 54.117 52.037 -0.136 0.000 0.629 129 A CB -1.329 17.625 19.000 -0.076 0.000 0.834 129 A HN 0.599 nan 8.150 nan 0.000 0.447 130 N N -0.247 118.382 118.700 -0.118 0.000 2.133 130 N HA -0.192 4.548 4.740 -0.001 0.000 0.193 130 N C 1.884 177.324 175.510 -0.117 0.000 1.012 130 N CA 2.118 55.097 53.050 -0.118 0.000 0.871 130 N CB -0.336 38.113 38.487 -0.064 0.000 1.011 130 N HN 0.428 nan 8.380 nan 0.000 0.435 131 S N -0.915 114.734 115.700 -0.085 0.000 2.345 131 S HA -0.126 4.343 4.470 -0.001 0.000 0.220 131 S C 1.436 176.108 174.600 0.119 0.000 1.031 131 S CA 0.799 59.026 58.200 0.044 0.000 0.996 131 S CB -0.552 62.604 63.200 -0.073 0.000 0.882 131 S HN 0.517 nan 8.310 nan 0.000 0.445 132 H N 1.111 120.206 119.070 0.040 0.000 2.568 132 H HA 0.123 4.679 4.556 -0.001 0.000 0.281 132 H C 1.615 176.931 175.328 -0.021 0.000 1.028 132 H CA 0.459 56.520 56.048 0.022 0.000 1.199 132 H CB -0.447 29.315 29.762 -0.001 0.000 1.352 132 H HN 0.374 nan 8.280 nan 0.000 0.605 133 L N -0.801 120.415 121.223 -0.011 0.000 2.492 133 L HA -0.074 4.266 4.340 -0.001 0.000 0.223 133 L C 1.337 178.082 176.870 -0.209 0.000 1.132 133 L CA 0.292 55.044 54.840 -0.146 0.000 0.850 133 L CB -0.150 41.746 42.059 -0.272 0.000 0.966 133 L HN 0.172 nan 8.230 nan 0.000 0.454 134 Y N 0.439 120.758 120.300 0.032 0.000 2.561 134 Y HA 0.104 4.653 4.550 -0.001 0.000 0.291 134 Y C 1.760 177.672 175.900 0.020 0.000 1.141 134 Y CA 0.425 58.536 58.100 0.018 0.000 1.303 134 Y CB -0.388 38.078 38.460 0.011 0.000 1.015 134 Y HN 0.228 nan 8.280 nan 0.000 0.547 135 G N 0.584 109.461 108.800 0.128 0.000 2.353 135 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.294 135 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.294 135 G C 0.452 175.399 174.900 0.079 0.000 1.077 135 G CA 0.354 45.502 45.100 0.082 0.000 1.098 135 G HN 0.668 nan 8.290 nan 0.000 0.511 136 A N -0.727 122.150 122.820 0.095 0.000 2.671 136 A HA 0.686 5.005 4.320 -0.001 0.000 0.265 136 A C 1.617 179.233 177.584 0.053 0.000 1.148 136 A CA 1.270 53.343 52.037 0.059 0.000 0.977 136 A CB 0.297 19.339 19.000 0.071 0.000 1.242 136 A HN 0.896 nan 8.150 nan 0.000 0.591 137 S N -0.518 115.214 115.700 0.054 0.000 2.524 137 S HA 0.369 4.838 4.470 -0.001 0.000 0.215 137 S C 1.275 175.853 174.600 -0.037 0.000 0.986 137 S CA 0.470 58.678 58.200 0.013 0.000 0.911 137 S CB 0.349 63.536 63.200 -0.022 0.000 0.805 137 S HN 1.729 nan 8.310 nan 0.000 0.501 138 G N 2.233 111.022 108.800 -0.019 0.000 2.350 138 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.298 138 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.298 138 G C -0.231 174.638 174.900 -0.051 0.000 1.037 138 G CA 0.405 45.502 45.100 -0.006 0.000 1.074 138 G HN 0.569 nan 8.290 nan 0.000 0.511 139 I N -0.959 119.551 120.570 -0.100 0.000 2.646 139 I HA 0.578 4.747 4.170 -0.001 0.000 0.299 139 I C 0.583 176.652 176.117 -0.080 0.000 1.036 139 I CA -1.701 59.515 61.300 -0.140 0.000 1.074 139 I CB 1.079 38.879 38.000 -0.335 0.000 1.258 139 I HN 0.163 nan 8.210 nan 0.000 0.430 140 R N 5.144 125.605 120.500 -0.064 0.000 2.449 140 R HA 0.042 4.381 4.340 -0.001 0.000 0.296 140 R C 0.906 177.186 176.300 -0.034 0.000 1.047 140 R CA -0.309 55.767 56.100 -0.040 0.000 1.018 140 R CB 0.595 30.873 30.300 -0.036 0.000 0.962 140 R HN 0.579 nan 8.270 nan 0.000 0.428 141 L N 3.889 125.098 121.223 -0.022 0.000 2.137 141 L HA -0.258 4.082 4.340 -0.001 0.000 0.213 141 L C 2.052 178.909 176.870 -0.023 0.000 1.085 141 L CA 1.999 56.828 54.840 -0.017 0.000 0.760 141 L CB -0.485 41.566 42.059 -0.013 0.000 0.893 141 L HN 0.728 nan 8.230 nan 0.000 0.434 142 E N -1.173 119.011 120.200 -0.027 0.000 2.160 142 E HA -0.267 4.083 4.350 -0.001 0.000 0.195 142 E C 2.050 178.621 176.600 -0.048 0.000 0.991 142 E CA 1.375 57.756 56.400 -0.032 0.000 0.810 142 E CB -0.146 29.537 29.700 -0.029 0.000 0.742 142 E HN 0.476 nan 8.360 nan 0.000 0.466 143 L N 0.767 121.959 121.223 -0.052 0.000 2.127 143 L HA 0.049 4.389 4.340 -0.001 0.000 0.203 143 L C 2.050 178.888 176.870 -0.053 0.000 1.080 143 L CA 1.191 55.989 54.840 -0.069 0.000 0.768 143 L CB -0.293 41.726 42.059 -0.066 0.000 0.924 143 L HN 0.217 nan 8.230 nan 0.000 0.444 144 I N -0.721 119.840 120.570 -0.015 0.000 2.657 144 I HA -0.310 3.860 4.170 -0.001 0.000 0.261 144 I C 2.008 178.107 176.117 -0.030 0.000 1.212 144 I CA 0.998 62.304 61.300 0.009 0.000 1.453 144 I CB -0.232 37.782 38.000 0.023 0.000 1.092 144 I HN 0.468 nan 8.210 nan 0.000 0.452 145 Q N -0.303 119.471 119.800 -0.044 0.000 2.349 145 Q HA 0.061 4.401 4.340 -0.001 0.000 0.209 145 Q C 2.135 178.091 176.000 -0.073 0.000 0.920 145 Q CA 0.014 55.790 55.803 -0.045 0.000 0.901 145 Q CB 0.060 28.780 28.738 -0.030 0.000 1.021 145 Q HN 0.314 nan 8.270 nan 0.000 0.519 146 R N 0.783 121.209 120.500 -0.123 0.000 2.200 146 R HA -0.092 4.248 4.340 -0.001 0.000 0.234 146 R C 1.886 177.978 176.300 -0.346 0.000 1.127 146 R CA 1.019 56.980 56.100 -0.233 0.000 0.989 146 R CB -0.202 29.910 30.300 -0.314 0.000 0.869 146 R HN 0.365 nan 8.270 nan 0.000 0.459 147 I N -0.004 120.433 120.570 -0.221 0.000 2.235 147 I HA -0.196 3.973 4.170 -0.001 0.000 0.241 147 I C 2.570 178.660 176.117 -0.045 0.000 1.085 147 I CA 0.765 61.965 61.300 -0.165 0.000 1.378 147 I CB -0.373 37.564 38.000 -0.105 0.000 1.076 147 I HN 0.184 nan 8.210 nan 0.000 0.415 148 E N 0.813 120.992 120.200 -0.035 0.000 2.147 148 E HA -0.264 4.086 4.350 -0.001 0.000 0.199 148 E C 1.957 178.575 176.600 0.030 0.000 1.005 148 E CA 2.141 58.538 56.400 -0.005 0.000 0.810 148 E CB 0.031 29.723 29.700 -0.013 0.000 0.736 148 E HN 0.417 nan 8.360 nan 0.000 0.460 149 T N 0.223 114.805 114.554 0.046 0.000 2.737 149 T HA -0.106 4.243 4.350 -0.001 0.000 0.265 149 T C 1.551 176.375 174.700 0.207 0.000 1.038 149 T CA 1.404 63.571 62.100 0.111 0.000 1.144 149 T CB -0.488 68.459 68.868 0.131 0.000 0.866 149 T HN 0.249 nan 8.240 nan 0.000 0.434 150 F N 0.838 120.746 119.950 -0.070 0.000 2.134 150 F HA -0.035 4.492 4.527 -0.001 0.000 0.299 150 F C 2.277 178.011 175.800 -0.109 0.000 1.097 150 F CA 0.476 58.411 58.000 -0.108 0.000 1.264 150 F CB -0.285 38.664 39.000 -0.085 0.000 1.001 150 F HN 0.071 nan 8.300 nan 0.000 0.479 151 L N -0.081 121.222 121.223 0.133 0.000 2.017 151 L HA -0.266 4.073 4.340 -0.001 0.000 0.208 151 L C 1.903 178.774 176.870 0.003 0.000 1.073 151 L CA 1.205 56.070 54.840 0.042 0.000 0.745 151 L CB -0.620 41.454 42.059 0.025 0.000 0.894 151 L HN 0.158 nan 8.230 nan 0.000 0.432 152 N N -0.141 118.566 118.700 0.010 0.000 2.457 152 N HA -0.039 4.700 4.740 -0.001 0.000 0.180 152 N C 1.538 177.032 175.510 -0.027 0.000 1.050 152 N CA 1.112 54.159 53.050 -0.004 0.000 0.906 152 N CB 0.014 38.506 38.487 0.008 0.000 0.968 152 N HN 0.259 nan 8.380 nan 0.000 0.445 153 A N -0.176 122.609 122.820 -0.058 0.000 2.195 153 A HA 0.436 4.756 4.320 -0.001 0.000 0.210 153 A C 1.355 178.788 177.584 -0.251 0.000 1.165 153 A CA 0.626 52.582 52.037 -0.135 0.000 0.806 153 A CB -0.191 18.700 19.000 -0.181 0.000 0.847 153 A HN 0.232 nan 8.150 nan 0.000 0.482 154 G N -0.806 107.871 108.800 -0.205 0.000 2.182 154 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.248 154 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.248 154 G C -0.069 174.614 174.900 -0.362 0.000 1.042 154 G CA 0.121 45.093 45.100 -0.213 0.000 0.775 154 G HN 0.862 nan 8.290 nan 0.000 0.501 155 V N 0.509 120.153 119.914 -0.451 0.000 2.427 155 V HA 0.751 4.870 4.120 -0.001 0.000 0.286 155 V C 0.403 176.338 176.094 -0.265 0.000 1.034 155 V CA -0.019 61.923 62.300 -0.596 0.000 0.893 155 V CB 1.820 32.966 31.823 -1.130 0.000 0.982 155 V HN 0.349 nan 8.190 nan 0.000 0.452 156 T N 6.726 121.187 114.554 -0.156 0.000 2.906 156 T HA 0.391 4.740 4.350 -0.001 0.000 0.302 156 T C -2.758 171.984 174.700 0.070 0.000 1.002 156 T CA -1.163 60.937 62.100 0.000 0.000 0.988 156 T CB 1.830 70.703 68.868 0.008 0.000 0.972 156 T HN 0.377 nan 8.240 nan 0.000 0.447 157 P HA 0.107 nan 4.420 nan 0.000 0.269 157 P C -0.160 177.271 177.300 0.218 0.000 1.209 157 P CA -0.165 63.037 63.100 0.169 0.000 0.776 157 P CB 0.316 32.153 31.700 0.227 0.000 0.876 158 H N 0.075 119.161 119.070 0.027 0.000 2.683 158 H HA 0.343 4.898 4.556 -0.001 0.000 0.339 158 H C -0.378 174.848 175.328 -0.170 0.000 1.081 158 H CA -0.742 55.247 56.048 -0.097 0.000 1.432 158 H CB 0.664 30.335 29.762 -0.151 0.000 1.462 158 H HN 0.113 nan 8.280 nan 0.000 0.557 159 V N 4.282 124.071 119.914 -0.207 0.000 2.686 159 V HA 0.103 4.223 4.120 -0.001 0.000 0.306 159 V C -0.846 174.995 176.094 -0.422 0.000 1.065 159 V CA -0.974 61.133 62.300 -0.321 0.000 0.894 159 V CB 1.285 33.059 31.823 -0.080 0.000 1.004 159 V HN 0.612 nan 8.190 nan 0.000 0.424 160 Y N 2.116 122.190 120.300 -0.377 0.000 2.326 160 Y HA 0.170 4.720 4.550 -0.001 0.000 0.333 160 Y C 1.742 177.574 175.900 -0.113 0.000 1.240 160 Y CA 0.011 57.950 58.100 -0.269 0.000 1.365 160 Y CB 0.802 39.084 38.460 -0.296 0.000 1.289 160 Y HN 0.845 nan 8.280 nan 0.000 0.548 161 E N 0.791 120.975 120.200 -0.027 0.000 2.285 161 E HA 0.001 4.350 4.350 -0.001 0.000 0.194 161 E C -0.614 176.145 176.600 0.265 0.000 0.997 161 E CA 0.611 56.983 56.400 -0.046 0.000 0.845 161 E CB 0.040 29.526 29.700 -0.355 0.000 0.782 161 E HN 0.454 nan 8.360 nan 0.000 0.491 162 F N -0.442 119.647 119.950 0.232 0.000 2.480 162 F HA 0.571 5.098 4.527 -0.001 0.000 0.329 162 F C 1.114 176.974 175.800 0.099 0.000 1.091 162 F CA -0.449 57.656 58.000 0.175 0.000 0.972 162 F CB 2.380 41.429 39.000 0.082 0.000 1.150 162 F HN 0.091 nan 8.300 nan 0.000 0.467 163 G N 0.875 109.830 108.800 0.258 0.000 3.246 163 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.218 163 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.218 163 G C -0.426 174.448 174.900 -0.043 0.000 0.978 163 G CA -0.104 45.039 45.100 0.072 0.000 0.825 163 G HN 0.682 nan 8.290 nan 0.000 0.546 164 S N 0.246 115.871 115.700 -0.125 0.000 2.503 164 S HA 0.674 5.144 4.470 -0.001 0.000 0.301 164 S C 1.119 175.727 174.600 0.012 0.000 1.087 164 S CA -0.292 57.800 58.200 -0.179 0.000 1.042 164 S CB 1.086 63.945 63.200 -0.568 0.000 1.043 164 S HN 0.882 nan 8.310 nan 0.000 0.489 165 I N 1.486 122.064 120.570 0.013 0.000 4.018 165 I HA 0.564 4.733 4.170 -0.001 0.000 0.337 165 I C 0.852 177.009 176.117 0.067 0.000 1.327 165 I CA -0.152 61.180 61.300 0.053 0.000 1.100 165 I CB -0.674 37.341 38.000 0.025 0.000 1.025 165 I HN 0.840 nan 8.210 nan 0.000 0.396 171 L N -0.062 121.101 121.223 -0.100 0.000 1.987 171 L HA -0.292 4.048 4.340 -0.001 0.000 0.230 171 L C 2.392 179.215 176.870 -0.079 0.000 1.089 171 L CA 1.788 56.571 54.840 -0.095 0.000 0.802 171 L CB -0.775 41.218 42.059 -0.109 0.000 0.905 171 L HN 0.074 nan 8.230 nan 0.000 0.441 172 V N -0.368 119.500 119.914 -0.076 0.000 2.252 172 V HA -0.221 3.898 4.120 -0.001 0.000 0.249 172 V C -0.098 176.074 176.094 0.130 0.000 1.056 172 V CA 2.485 64.792 62.300 0.012 0.000 1.022 172 V CB -1.712 30.122 31.823 0.018 0.000 0.641 172 V HN 0.337 nan 8.190 nan 0.000 0.445 173 P HA -0.137 nan 4.420 nan 0.000 0.215 173 P C 1.935 179.316 177.300 0.135 0.000 1.157 173 P CA 1.455 64.578 63.100 0.038 0.000 0.868 173 P CB -0.083 31.532 31.700 -0.141 0.000 0.788 174 L N -0.616 120.642 121.223 0.060 0.000 2.201 174 L HA -0.126 4.214 4.340 -0.001 0.000 0.212 174 L C 2.465 179.377 176.870 0.070 0.000 1.105 174 L CA 1.702 56.580 54.840 0.062 0.000 0.775 174 L CB -1.032 41.042 42.059 0.025 0.000 0.913 174 L HN 0.134 nan 8.230 nan 0.000 0.440 175 S N -1.106 114.635 115.700 0.067 0.000 2.423 175 S HA -0.191 4.279 4.470 -0.001 0.000 0.231 175 S C 1.863 176.510 174.600 0.078 0.000 1.014 175 S CA 0.742 58.944 58.200 0.003 0.000 0.965 175 S CB -0.486 62.663 63.200 -0.085 0.000 0.785 175 S HN 0.427 nan 8.310 nan 0.000 0.495 176 Y N 1.273 121.641 120.300 0.113 0.000 2.243 176 Y HA 0.254 4.804 4.550 -0.001 0.000 0.293 176 Y C 2.306 178.322 175.900 0.192 0.000 1.124 176 Y CA 0.930 59.164 58.100 0.222 0.000 1.159 176 Y CB -0.201 38.342 38.460 0.137 0.000 1.008 176 Y HN 0.228 nan 8.280 nan 0.000 0.527 177 I N -0.901 119.823 120.570 0.256 0.000 2.226 177 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 177 I C 2.188 178.340 176.117 0.057 0.000 1.100 177 I CA 1.527 62.920 61.300 0.156 0.000 1.374 177 I CB -0.538 37.524 38.000 0.104 0.000 1.057 177 I HN 0.199 nan 8.210 nan 0.000 0.413 178 T N 0.483 115.037 114.554 0.001 0.000 2.643 178 T HA -0.138 4.211 4.350 -0.001 0.000 0.264 178 T C 1.930 176.497 174.700 -0.223 0.000 1.045 178 T CA 1.670 63.709 62.100 -0.101 0.000 1.155 178 T CB -0.822 67.984 68.868 -0.103 0.000 0.863 178 T HN 0.569 nan 8.240 nan 0.000 0.420 179 G N 1.137 109.721 108.800 -0.361 0.000 2.505 179 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.220 179 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.220 179 G C 1.776 176.255 174.900 -0.701 0.000 1.145 179 G CA 1.245 45.758 45.100 -0.979 0.000 0.761 179 G HN 0.606 nan 8.290 nan 0.000 0.571 180 A N 0.576 123.277 122.820 -0.198 0.000 1.855 180 A HA 0.105 4.424 4.320 -0.001 0.000 0.215 180 A C 2.465 180.111 177.584 0.104 0.000 1.191 180 A CA 1.360 53.431 52.037 0.057 0.000 0.613 180 A CB -0.552 18.600 19.000 0.252 0.000 0.829 180 A HN 0.344 nan 8.150 nan 0.000 0.442 181 L N -0.165 121.059 121.223 0.002 0.000 1.997 181 L HA -0.245 4.095 4.340 -0.001 0.000 0.216 181 L C 2.442 179.228 176.870 -0.141 0.000 1.074 181 L CA 2.148 56.839 54.840 -0.249 0.000 0.763 181 L CB -0.669 41.172 42.059 -0.362 0.000 0.890 181 L HN 0.717 nan 8.230 nan 0.000 0.434 182 I N -2.515 117.960 120.570 -0.158 0.000 3.646 182 I HA 0.221 4.390 4.170 -0.001 0.000 0.301 182 I C 1.297 177.350 176.117 -0.107 0.000 1.276 182 I CA 0.508 61.729 61.300 -0.132 0.000 1.254 182 I CB -0.739 37.165 38.000 -0.159 0.000 1.020 182 I HN 0.311 nan 8.210 nan 0.000 0.473 183 G N 2.321 111.068 108.800 -0.087 0.000 2.296 183 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.282 183 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.282 183 G C 0.706 175.536 174.900 -0.116 0.000 1.014 183 G CA 0.691 45.755 45.100 -0.060 0.000 0.812 183 G HN 0.551 nan 8.290 nan 0.000 0.508 184 L N -0.374 120.687 121.223 -0.270 0.000 2.089 184 L HA 0.149 4.489 4.340 -0.001 0.000 0.213 184 L C 0.938 177.753 176.870 -0.092 0.000 1.079 184 L CA 2.856 57.539 54.840 -0.263 0.000 0.758 184 L CB -0.064 41.651 42.059 -0.573 0.000 0.891 184 L HN 0.632 nan 8.230 nan 0.000 0.433 185 D N -4.639 115.720 120.400 -0.070 0.000 2.694 185 D HA 0.226 4.866 4.640 -0.001 0.000 0.260 185 D C -2.442 173.996 176.300 0.230 0.000 1.250 185 D CA -0.856 53.251 54.000 0.179 0.000 0.763 185 D CB 1.264 42.295 40.800 0.385 0.000 1.311 185 D HN -0.357 nan 8.370 nan 0.000 0.420 186 P HA -0.022 nan 4.420 nan 0.000 0.225 186 P C 1.016 178.417 177.300 0.168 0.000 1.156 186 P CA 0.849 64.045 63.100 0.159 0.000 0.787 186 P CB 0.102 31.872 31.700 0.117 0.000 0.802 187 S N -1.366 114.456 115.700 0.204 0.000 2.442 187 S HA -0.123 4.347 4.470 -0.001 0.000 0.236 187 S C 0.594 175.165 174.600 -0.049 0.000 1.007 187 S CA 0.653 58.898 58.200 0.075 0.000 0.965 187 S CB -1.355 61.874 63.200 0.048 0.000 0.773 187 S HN -0.036 nan 8.310 nan 0.000 0.504 188 F N 3.864 123.801 119.950 -0.022 0.000 2.405 188 F HA 0.362 4.888 4.527 -0.001 0.000 0.358 188 F C 1.236 177.014 175.800 -0.036 0.000 1.151 188 F CA -0.543 57.438 58.000 -0.032 0.000 1.161 188 F CB 0.102 39.051 39.000 -0.085 0.000 1.245 188 F HN 0.114 nan 8.300 nan 0.000 0.545 189 T N 1.242 115.806 114.554 0.017 0.000 2.899 189 T HA 0.774 5.123 4.350 -0.001 0.000 0.284 189 T C -0.098 174.409 174.700 -0.321 0.000 1.004 189 T CA -0.506 61.491 62.100 -0.171 0.000 1.043 189 T CB 1.634 70.327 68.868 -0.292 0.000 1.013 189 T HN 0.492 nan 8.240 nan 0.000 0.518 190 V N -1.241 118.433 119.914 -0.399 0.000 3.181 190 V HA 0.772 4.892 4.120 -0.001 0.000 0.307 190 V C -1.655 174.310 176.094 -0.214 0.000 1.310 190 V CA -1.210 60.921 62.300 -0.282 0.000 1.067 190 V CB 1.760 33.513 31.823 -0.116 0.000 1.081 190 V HN 1.012 nan 8.190 nan 0.000 0.453 191 D N 0.099 120.488 120.400 -0.019 0.000 2.454 191 D HA 0.429 5.069 4.640 -0.001 0.000 0.247 191 D C -1.378 174.919 176.300 -0.005 0.000 1.129 191 D CA -0.204 53.837 54.000 0.068 0.000 0.877 191 D CB 1.119 41.998 40.800 0.131 0.000 1.082 191 D HN 0.599 nan 8.370 nan 0.000 0.537 192 F N 3.865 123.772 119.950 -0.072 0.000 2.377 192 F HA 0.183 4.709 4.527 -0.001 0.000 0.360 192 F C 0.464 176.231 175.800 -0.054 0.000 1.147 192 F CA -0.507 57.438 58.000 -0.091 0.000 1.170 192 F CB 0.439 39.379 39.000 -0.100 0.000 1.339 192 F HN 0.378 nan 8.300 nan 0.000 0.552 193 D N 3.730 124.172 120.400 0.071 0.000 2.964 193 D HA -0.266 4.373 4.640 -0.001 0.000 0.226 193 D C 1.142 177.495 176.300 0.088 0.000 1.187 193 D CA 1.574 55.624 54.000 0.085 0.000 0.787 193 D CB -0.831 40.057 40.800 0.146 0.000 1.085 193 D HN 0.933 nan 8.370 nan 0.000 0.413 194 G N -1.146 107.706 108.800 0.086 0.000 3.685 194 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.215 194 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.215 194 G C 0.197 175.133 174.900 0.061 0.000 0.987 194 G CA 0.171 45.308 45.100 0.061 0.000 0.884 194 G HN 0.346 nan 8.290 nan 0.000 0.406 195 K N 0.728 121.175 120.400 0.078 0.000 2.400 195 K HA 0.552 4.872 4.320 -0.001 0.000 0.246 195 K C -0.959 175.686 176.600 0.076 0.000 0.995 195 K CA -0.652 55.673 56.287 0.063 0.000 0.840 195 K CB 1.972 34.492 32.500 0.034 0.000 1.293 195 K HN 0.116 nan 8.250 nan 0.000 0.445 196 E N 2.356 122.592 120.200 0.060 0.000 2.217 196 E HA 0.126 4.475 4.350 -0.001 0.000 0.279 196 E C -0.469 176.133 176.600 0.004 0.000 1.068 196 E CA 0.285 56.706 56.400 0.035 0.000 0.882 196 E CB 0.907 30.638 29.700 0.051 0.000 1.039 196 E HN 0.281 nan 8.360 nan 0.000 0.418 197 M N 1.830 121.423 119.600 -0.011 0.000 2.761 197 M HA 0.236 4.716 4.480 -0.001 0.000 0.305 197 M C -0.782 175.503 176.300 -0.024 0.000 1.235 197 M CA -0.957 54.339 55.300 -0.005 0.000 0.850 197 M CB 1.901 34.522 32.600 0.034 0.000 1.744 197 M HN 0.432 nan 8.290 nan 0.000 0.480 198 D N -0.091 120.312 120.400 0.004 0.000 2.268 198 D HA 0.571 5.211 4.640 -0.001 0.000 0.249 198 D C 0.601 176.929 176.300 0.046 0.000 1.008 198 D CA -0.678 53.337 54.000 0.025 0.000 0.939 198 D CB 1.269 42.096 40.800 0.046 0.000 1.170 198 D HN 0.600 nan 8.370 nan 0.000 0.468 199 A N 0.943 123.809 122.820 0.077 0.000 1.908 199 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 199 A C 2.089 179.719 177.584 0.077 0.000 1.181 199 A CA 1.625 53.714 52.037 0.085 0.000 0.627 199 A CB -1.106 17.952 19.000 0.098 0.000 0.818 199 A HN 0.473 nan 8.150 nan 0.000 0.445 200 V N -0.366 119.587 119.914 0.066 0.000 2.343 200 V HA -0.236 3.884 4.120 -0.001 0.000 0.247 200 V C 2.694 178.817 176.094 0.049 0.000 1.051 200 V CA 2.479 64.812 62.300 0.055 0.000 1.036 200 V CB -1.351 30.504 31.823 0.053 0.000 0.654 200 V HN 0.607 nan 8.190 nan 0.000 0.451 201 T N 0.258 114.835 114.554 0.039 0.000 2.821 201 T HA -0.069 4.280 4.350 -0.001 0.000 0.267 201 T C 2.056 176.771 174.700 0.025 0.000 1.046 201 T CA 1.416 63.525 62.100 0.014 0.000 1.139 201 T CB -0.341 68.522 68.868 -0.008 0.000 0.871 201 T HN 0.567 nan 8.240 nan 0.000 0.454 202 A N 1.254 124.118 122.820 0.073 0.000 1.898 202 A HA 0.071 4.390 4.320 -0.001 0.000 0.216 202 A C 2.276 179.956 177.584 0.160 0.000 1.181 202 A CA 1.020 53.157 52.037 0.167 0.000 0.620 202 A CB -0.762 18.307 19.000 0.115 0.000 0.819 202 A HN 0.454 nan 8.150 nan 0.000 0.442 203 L N -0.367 120.932 121.223 0.128 0.000 2.093 203 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 203 L C 2.872 179.804 176.870 0.103 0.000 1.085 203 L CA 1.361 56.288 54.840 0.145 0.000 0.755 203 L CB -0.492 41.644 42.059 0.128 0.000 0.904 203 L HN 0.357 nan 8.230 nan 0.000 0.435 204 S N -0.078 115.662 115.700 0.068 0.000 2.354 204 S HA -0.193 4.276 4.470 -0.001 0.000 0.219 204 S C 1.925 176.547 174.600 0.037 0.000 1.035 204 S CA 1.228 59.451 58.200 0.040 0.000 1.037 204 S CB -0.348 62.861 63.200 0.015 0.000 0.956 204 S HN 0.362 nan 8.310 nan 0.000 0.428 205 R N 0.666 121.176 120.500 0.018 0.000 2.249 205 R HA 0.004 4.343 4.340 -0.001 0.000 0.230 205 R C 1.453 177.806 176.300 0.088 0.000 1.121 205 R CA 0.759 56.853 56.100 -0.009 0.000 0.997 205 R CB -0.415 29.779 30.300 -0.177 0.000 0.867 205 R HN 0.401 nan 8.270 nan 0.000 0.465 206 L N -0.770 120.537 121.223 0.140 0.000 2.607 206 L HA 0.217 4.557 4.340 -0.001 0.000 0.228 206 L C 0.994 177.926 176.870 0.104 0.000 1.123 206 L CA 0.085 55.018 54.840 0.155 0.000 0.890 206 L CB 0.421 42.591 42.059 0.184 0.000 1.103 206 L HN 0.290 nan 8.230 nan 0.000 0.468 207 G N 1.329 110.175 108.800 0.077 0.000 2.249 207 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.273 207 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.273 207 G C -0.031 174.904 174.900 0.059 0.000 1.036 207 G CA 0.114 45.247 45.100 0.055 0.000 0.824 207 G HN 0.245 nan 8.290 nan 0.000 0.504 208 L N 0.910 122.178 121.223 0.075 0.000 2.325 208 L HA 0.566 4.906 4.340 -0.001 0.000 0.278 208 L C -1.740 175.163 176.870 0.055 0.000 1.023 208 L CA -2.223 52.660 54.840 0.072 0.000 0.811 208 L CB 2.218 44.346 42.059 0.115 0.000 1.249 208 L HN 0.015 nan 8.230 nan 0.000 0.431 209 P HA 0.242 nan 4.420 nan 0.000 0.297 209 P C -1.108 176.201 177.300 0.015 0.000 1.331 209 P CA -0.748 62.366 63.100 0.024 0.000 0.803 209 P CB 1.012 32.721 31.700 0.015 0.000 0.929 210 K N 2.519 122.928 120.400 0.015 0.000 2.580 210 K HA 0.062 4.382 4.320 -0.001 0.000 0.278 210 K C 0.392 176.984 176.600 -0.013 0.000 0.960 210 K CA 0.332 56.619 56.287 0.000 0.000 0.988 210 K CB 0.037 32.538 32.500 0.001 0.000 0.887 210 K HN 0.456 nan 8.250 nan 0.000 0.509 211 L N 1.123 122.326 121.223 -0.034 0.000 2.303 211 L HA 0.347 4.687 4.340 -0.001 0.000 0.266 211 L C -0.485 176.361 176.870 -0.039 0.000 1.011 211 L CA -1.197 53.620 54.840 -0.038 0.000 0.818 211 L CB 1.757 43.785 42.059 -0.053 0.000 1.326 211 L HN 0.497 nan 8.230 nan 0.000 0.435 212 Q N 1.564 121.346 119.800 -0.030 0.000 2.327 212 Q HA 0.439 4.778 4.340 -0.001 0.000 0.270 212 Q C -1.272 174.713 176.000 -0.025 0.000 1.022 212 Q CA -0.305 55.485 55.803 -0.022 0.000 0.773 212 Q CB 1.535 30.270 28.738 -0.006 0.000 1.251 212 Q HN 0.486 nan 8.270 nan 0.000 0.457 213 L N 4.045 125.251 121.223 -0.029 0.000 2.559 213 L HA 0.055 4.394 4.340 -0.001 0.000 0.274 213 L C 0.635 177.497 176.870 -0.013 0.000 1.205 213 L CA 0.069 54.892 54.840 -0.028 0.000 0.907 213 L CB 0.340 42.381 42.059 -0.030 0.000 1.153 213 L HN 0.579 nan 8.230 nan 0.000 0.490 214 Q N 4.475 124.265 119.800 -0.017 0.000 2.237 214 Q HA 0.266 4.605 4.340 -0.001 0.000 0.219 214 Q C -1.377 174.622 176.000 -0.001 0.000 0.999 214 Q CA -1.965 53.832 55.803 -0.009 0.000 0.959 214 Q CB 0.217 28.947 28.738 -0.013 0.000 1.173 214 Q HN 0.267 nan 8.270 nan 0.000 0.527 215 P HA -0.314 nan 4.420 nan 0.000 0.214 215 P C 0.847 178.158 177.300 0.019 0.000 0.989 215 P CA 2.470 65.578 63.100 0.013 0.000 1.008 215 P CB 0.168 31.875 31.700 0.012 0.000 0.747 216 K N -0.598 119.814 120.400 0.020 0.000 2.314 216 K HA -0.051 4.268 4.320 -0.001 0.000 0.198 216 K C 1.888 178.488 176.600 0.000 0.000 1.045 216 K CA 0.547 56.849 56.287 0.024 0.000 0.988 216 K CB -0.120 32.404 32.500 0.041 0.000 0.783 216 K HN 0.086 nan 8.250 nan 0.000 0.484 217 E N 0.212 120.398 120.200 -0.023 0.000 2.208 217 E HA -0.228 4.122 4.350 -0.001 0.000 0.202 217 E C 1.829 178.406 176.600 -0.039 0.000 1.014 217 E CA 1.290 57.659 56.400 -0.052 0.000 0.819 217 E CB -0.235 29.432 29.700 -0.056 0.000 0.735 217 E HN 0.557 nan 8.360 nan 0.000 0.469 218 G N 1.568 110.360 108.800 -0.015 0.000 2.433 218 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.216 218 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.216 218 G C 1.606 176.507 174.900 0.002 0.000 1.186 218 G CA 0.557 45.651 45.100 -0.010 0.000 0.779 218 G HN 0.097 nan 8.290 nan 0.000 0.543 219 L N 0.825 122.061 121.223 0.021 0.000 2.079 219 L HA -0.098 4.242 4.340 -0.001 0.000 0.210 219 L C 3.422 180.318 176.870 0.043 0.000 1.081 219 L CA 1.022 55.883 54.840 0.036 0.000 0.752 219 L CB -0.404 41.692 42.059 0.062 0.000 0.896 219 L HN 0.318 nan 8.230 nan 0.000 0.433 220 A N -0.584 122.246 122.820 0.016 0.000 1.933 220 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 220 A C 2.314 179.952 177.584 0.089 0.000 1.175 220 A CA 1.605 53.638 52.037 -0.007 0.000 0.628 220 A CB -0.292 18.597 19.000 -0.184 0.000 0.814 220 A HN 0.261 nan 8.150 nan 0.000 0.444 221 M N -1.063 118.571 119.600 0.056 0.000 2.134 221 M HA 0.112 4.591 4.480 -0.001 0.000 0.262 221 M C 1.979 178.331 176.300 0.086 0.000 1.076 221 M CA 1.402 56.772 55.300 0.117 0.000 1.143 221 M CB -1.086 31.532 32.600 0.030 0.000 1.346 221 M HN 0.408 nan 8.290 nan 0.000 0.421 222 M N -0.996 118.623 119.600 0.033 0.000 2.494 222 M HA 0.077 4.557 4.480 -0.001 0.000 0.232 222 M C 0.090 176.388 176.300 -0.004 0.000 1.137 222 M CA 0.116 55.418 55.300 0.004 0.000 1.012 222 M CB -0.569 32.008 32.600 -0.038 0.000 1.567 222 M HN 0.198 nan 8.290 nan 0.000 0.486 223 N N 1.067 119.785 118.700 0.030 0.000 2.476 223 N HA 0.543 5.283 4.740 -0.001 0.000 0.257 223 N C -0.613 174.953 175.510 0.093 0.000 0.970 223 N CA -0.255 52.806 53.050 0.018 0.000 0.938 223 N CB 1.111 39.615 38.487 0.028 0.000 1.144 223 N HN 0.285 nan 8.380 nan 0.000 0.500 224 G N 0.188 109.046 108.800 0.097 0.000 2.327 224 G HA2 0.063 4.023 3.960 -0.001 0.000 0.291 224 G HA3 0.063 4.023 3.960 -0.001 0.000 0.291 224 G C -0.456 174.508 174.900 0.107 0.000 1.290 224 G CA -0.274 44.902 45.100 0.127 0.000 0.857 224 G HN 0.339 nan 8.290 nan 0.000 0.520 225 T N -2.484 112.126 114.554 0.094 0.000 3.380 225 T HA 0.462 4.811 4.350 -0.001 0.000 0.289 225 T C 1.421 176.168 174.700 0.078 0.000 1.012 225 T CA 1.001 63.157 62.100 0.094 0.000 0.944 225 T CB 0.530 69.456 68.868 0.096 0.000 1.172 225 T HN 0.437 nan 8.240 nan 0.000 0.502 226 S N 0.940 116.676 115.700 0.060 0.000 2.387 226 S HA -0.031 4.439 4.470 -0.001 0.000 0.226 226 S C 2.025 176.665 174.600 0.067 0.000 1.026 226 S CA 1.044 59.270 58.200 0.043 0.000 0.972 226 S CB -0.203 63.001 63.200 0.007 0.000 0.814 226 S HN 0.499 nan 8.310 nan 0.000 0.477 227 V N 3.347 123.322 119.914 0.102 0.000 2.407 227 V HA -0.140 3.980 4.120 -0.001 0.000 0.245 227 V C 2.378 178.589 176.094 0.194 0.000 1.041 227 V CA 1.759 64.153 62.300 0.156 0.000 1.040 227 V CB -0.885 31.069 31.823 0.219 0.000 0.671 227 V HN 0.637 nan 8.190 nan 0.000 0.455 228 M N -0.185 119.559 119.600 0.239 0.000 2.254 228 M HA -0.062 4.417 4.480 -0.001 0.000 0.265 228 M C 1.853 178.212 176.300 0.099 0.000 1.066 228 M CA 2.039 57.458 55.300 0.198 0.000 1.123 228 M CB -1.060 31.693 32.600 0.256 0.000 1.388 228 M HN 0.188 nan 8.290 nan 0.000 0.425 229 T N 0.784 115.393 114.554 0.092 0.000 3.023 229 T HA 0.111 4.461 4.350 -0.001 0.000 0.266 229 T C 1.849 176.577 174.700 0.047 0.000 1.093 229 T CA 1.145 63.283 62.100 0.064 0.000 1.129 229 T CB -0.267 68.634 68.868 0.056 0.000 0.899 229 T HN 0.713 nan 8.240 nan 0.000 0.491 230 G N 1.193 110.021 108.800 0.047 0.000 2.411 230 G HA2 0.018 3.978 3.960 -0.001 0.000 0.213 230 G HA3 0.018 3.978 3.960 -0.001 0.000 0.213 230 G C 1.471 176.382 174.900 0.019 0.000 1.166 230 G CA -0.009 45.108 45.100 0.028 0.000 0.802 230 G HN 0.454 nan 8.290 nan 0.000 0.533 231 I N 1.474 122.054 120.570 0.016 0.000 2.286 231 I HA -0.192 3.978 4.170 -0.001 0.000 0.248 231 I C 3.237 179.355 176.117 0.002 0.000 1.115 231 I CA 0.960 62.252 61.300 -0.014 0.000 1.392 231 I CB -0.116 37.845 38.000 -0.066 0.000 1.065 231 I HN 0.250 nan 8.210 nan 0.000 0.418 232 A N 0.753 123.585 122.820 0.020 0.000 1.873 232 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 232 A C 2.574 180.190 177.584 0.053 0.000 1.186 232 A CA 1.666 53.725 52.037 0.036 0.000 0.616 232 A CB -0.802 18.226 19.000 0.046 0.000 0.823 232 A HN 0.411 nan 8.150 nan 0.000 0.442 233 A N 0.267 123.118 122.820 0.051 0.000 1.940 233 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 233 A C 1.927 179.566 177.584 0.091 0.000 1.176 233 A CA 1.936 54.013 52.037 0.065 0.000 0.631 233 A CB -0.660 18.364 19.000 0.039 0.000 0.814 233 A HN 0.532 nan 8.150 nan 0.000 0.446 234 N N -0.326 118.411 118.700 0.062 0.000 2.188 234 N HA -0.118 4.621 4.740 -0.001 0.000 0.184 234 N C 1.679 177.266 175.510 0.128 0.000 1.018 234 N CA 1.489 54.587 53.050 0.081 0.000 0.858 234 N CB -0.730 37.773 38.487 0.026 0.000 0.989 234 N HN 0.549 nan 8.380 nan 0.000 0.426 235 C N -0.194 119.158 119.300 0.086 0.000 2.489 235 C HA 0.026 4.485 4.460 -0.001 0.000 0.279 235 C C 2.799 177.846 174.990 0.095 0.000 1.266 235 C CA 0.135 59.199 59.018 0.077 0.000 1.707 235 C CB -0.878 26.890 27.740 0.046 0.000 2.059 235 C HN 0.200 nan 8.230 nan 0.000 0.481 236 V N 0.286 120.263 119.914 0.105 0.000 2.282 236 V HA -0.306 3.813 4.120 -0.001 0.000 0.249 236 V C 2.092 178.257 176.094 0.119 0.000 1.057 236 V CA 2.619 64.981 62.300 0.103 0.000 1.032 236 V CB -1.076 30.817 31.823 0.117 0.000 0.645 236 V HN 0.605 nan 8.190 nan 0.000 0.447 237 Y N 1.591 121.935 120.300 0.073 0.000 2.030 237 Y HA -0.302 4.248 4.550 -0.001 0.000 0.274 237 Y C 2.465 178.385 175.900 0.033 0.000 1.153 237 Y CA 2.253 60.433 58.100 0.133 0.000 1.115 237 Y CB -0.684 37.864 38.460 0.147 0.000 0.969 237 Y HN 0.298 nan 8.280 nan 0.000 0.488 238 D N 0.037 120.468 120.400 0.051 0.000 2.158 238 D HA -0.233 4.406 4.640 -0.001 0.000 0.197 238 D C 2.249 178.447 176.300 -0.171 0.000 0.995 238 D CA 1.606 55.559 54.000 -0.079 0.000 0.846 238 D CB -0.676 40.155 40.800 0.052 0.000 0.941 238 D HN 0.516 nan 8.370 nan 0.000 0.456 239 A N 0.742 123.507 122.820 -0.092 0.000 1.902 239 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 239 A C 2.068 179.521 177.584 -0.219 0.000 1.181 239 A CA 1.398 53.397 52.037 -0.063 0.000 0.623 239 A CB -0.341 18.669 19.000 0.016 0.000 0.818 239 A HN 0.140 nan 8.150 nan 0.000 0.443 240 K N -0.456 119.698 120.400 -0.410 0.000 2.148 240 K HA -0.038 4.282 4.320 -0.001 0.000 0.204 240 K C 1.877 177.845 176.600 -1.054 0.000 1.050 240 K CA 1.210 57.056 56.287 -0.736 0.000 0.942 240 K CB -0.252 31.694 32.500 -0.923 0.000 0.724 240 K HN 0.344 nan 8.250 nan 0.000 0.446 241 V N 1.791 121.112 119.914 -0.988 0.000 2.229 241 V HA -0.239 3.881 4.120 -0.001 0.000 0.243 241 V C 2.238 178.099 176.094 -0.388 0.000 1.042 241 V CA 1.539 63.419 62.300 -0.700 0.000 1.000 241 V CB -0.407 31.132 31.823 -0.475 0.000 0.637 241 V HN 0.257 nan 8.190 nan 0.000 0.446 242 L N -0.596 120.442 121.223 -0.308 0.000 2.081 242 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 242 L C 2.470 179.234 176.870 -0.176 0.000 1.080 242 L CA 1.314 55.982 54.840 -0.287 0.000 0.754 242 L CB -0.674 41.179 42.059 -0.343 0.000 0.893 242 L HN 0.355 nan 8.230 nan 0.000 0.433 243 L N 0.141 121.290 121.223 -0.123 0.000 1.970 243 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 243 L C 2.688 179.538 176.870 -0.033 0.000 1.071 243 L CA 2.218 57.036 54.840 -0.036 0.000 0.751 243 L CB -0.966 41.028 42.059 -0.107 0.000 0.889 243 L HN 0.174 nan 8.230 nan 0.000 0.432 244 A N -0.418 122.335 122.820 -0.113 0.000 1.873 244 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 244 A C 2.325 179.883 177.584 -0.042 0.000 1.193 244 A CA 2.354 54.365 52.037 -0.044 0.000 0.629 244 A CB -1.180 17.771 19.000 -0.082 0.000 0.826 244 A HN 0.544 nan 8.150 nan 0.000 0.447 245 L N -0.818 120.350 121.223 -0.092 0.000 2.081 245 L HA -0.211 4.129 4.340 -0.001 0.000 0.212 245 L C 2.819 179.644 176.870 -0.075 0.000 1.080 245 L CA 1.821 56.607 54.840 -0.090 0.000 0.754 245 L CB -0.967 41.006 42.059 -0.142 0.000 0.893 245 L HN 0.409 nan 8.230 nan 0.000 0.433 246 T N -0.575 113.947 114.554 -0.053 0.000 2.684 246 T HA -0.212 4.138 4.350 -0.001 0.000 0.267 246 T C 1.973 176.695 174.700 0.036 0.000 1.036 246 T CA 1.297 63.393 62.100 -0.007 0.000 1.148 246 T CB -0.115 68.834 68.868 0.136 0.000 0.863 246 T HN 0.149 nan 8.240 nan 0.000 0.436 247 M N 0.896 120.559 119.600 0.105 0.000 2.149 247 M HA -0.024 4.456 4.480 -0.001 0.000 0.261 247 M C 2.692 179.026 176.300 0.057 0.000 1.064 247 M CA 1.380 56.759 55.300 0.131 0.000 1.102 247 M CB -1.605 31.064 32.600 0.116 0.000 1.369 247 M HN 0.406 nan 8.290 nan 0.000 0.408 248 G N -0.939 107.868 108.800 0.012 0.000 2.403 248 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.216 248 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.216 248 G C 1.640 176.538 174.900 -0.002 0.000 1.154 248 G CA 0.446 45.551 45.100 0.009 0.000 0.784 248 G HN 0.341 nan 8.290 nan 0.000 0.538 249 V N 0.485 120.365 119.914 -0.057 0.000 2.515 249 V HA -0.140 3.979 4.120 -0.001 0.000 0.250 249 V C 2.509 178.537 176.094 -0.110 0.000 1.058 249 V CA 1.532 63.770 62.300 -0.104 0.000 1.064 249 V CB -0.523 31.186 31.823 -0.190 0.000 0.675 249 V HN 0.423 nan 8.190 nan 0.000 0.461 250 H N -0.151 118.915 119.070 -0.006 0.000 2.403 250 H HA 0.068 4.624 4.556 -0.001 0.000 0.298 250 H C 2.367 177.693 175.328 -0.004 0.000 1.059 250 H CA 1.381 57.421 56.048 -0.013 0.000 1.363 250 H CB -0.353 29.396 29.762 -0.022 0.000 1.410 250 H HN 0.449 nan 8.280 nan 0.000 0.528 251 A N 1.574 124.450 122.820 0.093 0.000 1.873 251 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 251 A C 2.702 180.314 177.584 0.046 0.000 1.193 251 A CA 1.449 53.502 52.037 0.025 0.000 0.629 251 A CB -1.042 17.958 19.000 -0.001 0.000 0.826 251 A HN 0.284 nan 8.150 nan 0.000 0.447 252 L N -0.969 120.287 121.223 0.055 0.000 2.012 252 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 252 L C 3.171 180.096 176.870 0.092 0.000 1.073 252 L CA 1.271 56.156 54.840 0.074 0.000 0.748 252 L CB -0.796 41.316 42.059 0.089 0.000 0.891 252 L HN 0.489 nan 8.230 nan 0.000 0.431 253 A N 0.602 123.479 122.820 0.095 0.000 1.873 253 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 253 A C 2.180 179.840 177.584 0.128 0.000 1.193 253 A CA 1.867 53.973 52.037 0.116 0.000 0.629 253 A CB -0.815 18.256 19.000 0.118 0.000 0.826 253 A HN 0.388 nan 8.150 nan 0.000 0.447 254 I N -0.578 120.069 120.570 0.128 0.000 2.335 254 I HA -0.331 3.838 4.170 -0.001 0.000 0.251 254 I C 2.693 178.873 176.117 0.106 0.000 1.129 254 I CA 1.639 63.015 61.300 0.126 0.000 1.402 254 I CB -0.494 37.581 38.000 0.125 0.000 1.069 254 I HN 0.498 nan 8.210 nan 0.000 0.424 255 Q N 0.312 120.167 119.800 0.091 0.000 2.187 255 Q HA -0.040 4.299 4.340 -0.001 0.000 0.199 255 Q C 2.377 178.451 176.000 0.124 0.000 0.957 255 Q CA 1.218 57.075 55.803 0.090 0.000 0.857 255 Q CB -0.236 28.534 28.738 0.054 0.000 0.929 255 Q HN 0.605 nan 8.270 nan 0.000 0.453 256 G N 0.618 109.494 108.800 0.126 0.000 2.484 256 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.218 256 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.218 256 G C 1.252 176.248 174.900 0.160 0.000 1.130 256 G CA 0.319 45.504 45.100 0.142 0.000 0.784 256 G HN 0.171 nan 8.290 nan 0.000 0.543 257 L N -1.648 119.675 121.223 0.166 0.000 2.567 257 L HA 0.288 4.628 4.340 -0.001 0.000 0.225 257 L C 1.024 178.042 176.870 0.247 0.000 1.119 257 L CA -0.390 54.559 54.840 0.182 0.000 0.871 257 L CB 0.009 42.162 42.059 0.156 0.000 1.036 257 L HN 0.243 nan 8.230 nan 0.000 0.459 258 Y N 0.866 121.207 120.300 0.069 0.000 3.689 258 Y HA -0.229 4.320 4.550 -0.001 0.000 0.221 258 Y C 0.678 176.617 175.900 0.066 0.000 1.247 258 Y CA -0.037 58.095 58.100 0.055 0.000 1.671 258 Y CB -1.554 36.932 38.460 0.043 0.000 1.521 258 Y HN 0.143 nan 8.280 nan 0.000 0.632 259 G N 1.255 110.041 108.800 -0.024 0.000 2.507 259 G HA2 0.402 4.362 3.960 -0.001 0.000 0.271 259 G HA3 0.402 4.362 3.960 -0.001 0.000 0.271 259 G C 0.065 174.905 174.900 -0.100 0.000 1.189 259 G CA 0.069 45.144 45.100 -0.042 0.000 0.859 259 G HN 0.540 nan 8.290 nan 0.000 0.542 260 T N -0.831 113.680 114.554 -0.073 0.000 2.813 260 T HA 0.115 4.464 4.350 -0.001 0.000 0.297 260 T C 1.455 176.205 174.700 0.084 0.000 1.036 260 T CA 0.071 62.142 62.100 -0.049 0.000 1.044 260 T CB 0.399 69.241 68.868 -0.044 0.000 0.993 260 T HN 0.635 nan 8.240 nan 0.000 0.535 261 N N 1.299 120.065 118.700 0.110 0.000 2.205 261 N HA 0.015 4.754 4.740 -0.001 0.000 0.201 261 N C 1.421 177.123 175.510 0.321 0.000 1.128 261 N CA 0.136 53.357 53.050 0.285 0.000 0.867 261 N CB -0.375 38.182 38.487 0.117 0.000 0.996 261 N HN 0.762 nan 8.380 nan 0.000 0.503 262 Q N 1.016 120.906 119.800 0.150 0.000 2.181 262 Q HA -0.074 4.265 4.340 -0.001 0.000 0.205 262 Q C 0.803 176.845 176.000 0.069 0.000 0.980 262 Q CA 1.621 57.496 55.803 0.121 0.000 0.862 262 Q CB -0.110 28.641 28.738 0.021 0.000 0.905 262 Q HN 0.353 nan 8.270 nan 0.000 0.429 263 S N 0.074 115.694 115.700 -0.134 0.000 2.440 263 S HA -0.113 4.357 4.470 -0.001 0.000 0.238 263 S C 0.650 174.996 174.600 -0.425 0.000 1.010 263 S CA 0.981 58.923 58.200 -0.431 0.000 0.972 263 S CB -0.143 62.578 63.200 -0.799 0.000 0.774 263 S HN 0.430 nan 8.310 nan 0.000 0.501 264 F N 0.387 120.535 119.950 0.331 0.000 2.639 264 F HA 0.284 4.811 4.527 -0.001 0.000 0.300 264 F C 0.982 177.018 175.800 0.393 0.000 1.109 264 F CA -0.842 57.395 58.000 0.395 0.000 1.335 264 F CB -0.380 38.782 39.000 0.271 0.000 1.014 264 F HN 0.231 nan 8.300 nan 0.000 0.537 265 H N 2.895 122.161 119.070 0.327 0.000 2.886 265 H HA 0.039 4.595 4.556 -0.001 0.000 0.329 265 H C -1.690 173.741 175.328 0.170 0.000 1.044 265 H CA -1.287 54.862 56.048 0.168 0.000 1.456 265 H CB 1.521 31.367 29.762 0.139 0.000 1.464 265 H HN -0.023 nan 8.280 nan 0.000 0.573 266 P HA -0.234 nan 4.420 nan 0.000 0.216 266 P C 1.366 178.614 177.300 -0.086 0.000 1.154 266 P CA 1.064 64.041 63.100 -0.205 0.000 0.865 266 P CB -0.130 31.353 31.700 -0.362 0.000 0.789 267 F N 0.445 120.241 119.950 -0.256 0.000 2.043 267 F HA -0.270 4.257 4.527 -0.001 0.000 0.297 267 F C 2.067 177.828 175.800 -0.064 0.000 1.118 267 F CA 1.496 59.460 58.000 -0.061 0.000 1.202 267 F CB -1.172 37.889 39.000 0.102 0.000 0.965 267 F HN -0.210 nan 8.300 nan 0.000 0.482 268 I N -0.183 120.303 120.570 -0.141 0.000 2.091 268 I HA -0.436 3.733 4.170 -0.001 0.000 0.240 268 I C 2.367 178.191 176.117 -0.488 0.000 1.046 268 I CA 2.061 63.122 61.300 -0.398 0.000 1.306 268 I CB -1.036 36.676 38.000 -0.480 0.000 1.018 268 I HN 0.278 nan 8.210 nan 0.000 0.404 269 H N -0.156 118.845 119.070 -0.116 0.000 2.559 269 H HA -0.079 4.476 4.556 -0.001 0.000 0.273 269 H C 1.698 176.954 175.328 -0.120 0.000 1.000 269 H CA 0.773 56.770 56.048 -0.086 0.000 1.195 269 H CB -0.056 29.691 29.762 -0.025 0.000 1.368 269 H HN 0.412 nan 8.280 nan 0.000 0.592 270 Q N 0.201 119.928 119.800 -0.121 0.000 2.319 270 Q HA 0.083 4.422 4.340 -0.001 0.000 0.202 270 Q C 1.331 177.199 176.000 -0.220 0.000 0.896 270 Q CA 0.206 55.931 55.803 -0.131 0.000 0.942 270 Q CB -0.013 28.664 28.738 -0.102 0.000 1.083 270 Q HN 0.266 nan 8.270 nan 0.000 0.510 271 C N -0.246 118.867 119.300 -0.312 0.000 2.912 271 C HA 0.366 4.826 4.460 -0.001 0.000 0.274 271 C C 0.949 175.812 174.990 -0.212 0.000 1.248 271 C CA -0.288 58.538 59.018 -0.319 0.000 1.694 271 C CB -0.174 27.288 27.740 -0.464 0.000 2.024 271 C HN 0.300 nan 8.230 nan 0.000 0.605 272 K N 1.720 122.014 120.400 -0.176 0.000 3.029 272 K HA 0.164 4.483 4.320 -0.001 0.000 0.169 272 K C -2.546 173.978 176.600 -0.127 0.000 1.090 272 K CA -0.898 55.301 56.287 -0.147 0.000 0.883 272 K CB 0.828 33.284 32.500 -0.073 0.000 1.080 272 K HN 0.032 nan 8.250 nan 0.000 0.613 273 P HA -0.078 nan 4.420 nan 0.000 0.251 273 P C -0.816 176.420 177.300 -0.106 0.000 1.624 273 P CA 0.054 63.094 63.100 -0.100 0.000 0.907 273 P CB -0.286 31.357 31.700 -0.095 0.000 1.867 274 H N 2.503 121.590 119.070 0.028 0.000 2.767 274 H HA 0.076 4.631 4.556 -0.001 0.000 0.316 274 H C -0.987 174.366 175.328 0.043 0.000 1.059 274 H CA -1.539 54.525 56.048 0.026 0.000 1.461 274 H CB 0.849 30.627 29.762 0.025 0.000 1.475 274 H HN 0.199 nan 8.280 nan 0.000 0.531 275 P HA -0.155 nan 4.420 nan 0.000 0.217 275 P C 1.436 178.823 177.300 0.145 0.000 1.148 275 P CA 1.383 64.554 63.100 0.118 0.000 0.828 275 P CB 0.119 31.866 31.700 0.078 0.000 0.783 276 G N 0.065 108.937 108.800 0.119 0.000 2.394 276 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.215 276 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.215 276 G C 1.752 176.764 174.900 0.187 0.000 1.165 276 G CA 0.613 45.771 45.100 0.096 0.000 0.784 276 G HN 0.332 nan 8.290 nan 0.000 0.535 277 Q N -0.244 119.660 119.800 0.173 0.000 2.046 277 Q HA 0.022 4.362 4.340 -0.001 0.000 0.200 277 Q C 2.570 178.633 176.000 0.106 0.000 0.975 277 Q CA 0.827 56.730 55.803 0.166 0.000 0.836 277 Q CB -0.231 28.642 28.738 0.226 0.000 0.896 277 Q HN 0.463 nan 8.270 nan 0.000 0.428 278 L N -0.460 120.842 121.223 0.133 0.000 2.013 278 L HA -0.229 4.111 4.340 -0.001 0.000 0.212 278 L C 2.257 179.169 176.870 0.071 0.000 1.073 278 L CA 1.819 56.708 54.840 0.081 0.000 0.753 278 L CB -0.536 41.582 42.059 0.098 0.000 0.890 278 L HN 0.496 nan 8.230 nan 0.000 0.432 279 W N 0.430 121.717 121.300 -0.021 0.000 2.381 279 W HA -0.193 4.467 4.660 -0.001 0.000 0.301 279 W C 2.505 179.007 176.519 -0.028 0.000 1.205 279 W CA 1.954 59.288 57.345 -0.018 0.000 1.285 279 W CB -0.209 29.247 29.460 -0.007 0.000 1.133 279 W HN -0.058 nan 8.180 nan 0.000 0.521 280 T N 0.576 115.305 114.554 0.292 0.000 2.777 280 T HA -0.155 4.195 4.350 -0.001 0.000 0.266 280 T C 1.957 176.567 174.700 -0.149 0.000 1.040 280 T CA 1.860 64.021 62.100 0.101 0.000 1.141 280 T CB -0.905 68.143 68.868 0.299 0.000 0.868 280 T HN 0.247 nan 8.240 nan 0.000 0.444 281 A N 1.915 124.633 122.820 -0.169 0.000 1.858 281 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 281 A C 2.226 179.730 177.584 -0.133 0.000 1.190 281 A CA 1.941 53.867 52.037 -0.186 0.000 0.617 281 A CB -0.889 17.604 19.000 -0.844 0.000 0.827 281 A HN 0.527 nan 8.150 nan 0.000 0.443 282 D N -0.873 119.399 120.400 -0.213 0.000 2.092 282 D HA -0.195 4.445 4.640 -0.001 0.000 0.193 282 D C 1.791 177.945 176.300 -0.243 0.000 0.994 282 D CA 1.536 55.421 54.000 -0.192 0.000 0.828 282 D CB -0.177 40.484 40.800 -0.231 0.000 0.963 282 D HN 0.401 nan 8.370 nan 0.000 0.450 283 Q N -0.461 119.024 119.800 -0.525 0.000 2.291 283 Q HA -0.130 4.209 4.340 -0.001 0.000 0.206 283 Q C 1.969 177.767 176.000 -0.337 0.000 0.976 283 Q CA 0.678 56.153 55.803 -0.546 0.000 0.875 283 Q CB -0.204 27.908 28.738 -1.044 0.000 0.927 283 Q HN 0.370 nan 8.270 nan 0.000 0.450 284 M N -0.928 118.470 119.600 -0.336 0.000 2.357 284 M HA 0.016 4.495 4.480 -0.001 0.000 0.266 284 M C 1.586 177.693 176.300 -0.321 0.000 1.095 284 M CA 0.754 55.788 55.300 -0.444 0.000 1.156 284 M CB -0.401 31.663 32.600 -0.893 0.000 1.365 284 M HN 0.078 nan 8.290 nan 0.000 0.447 285 F N 0.049 119.840 119.950 -0.266 0.000 2.126 285 F HA -0.199 4.327 4.527 -0.001 0.000 0.299 285 F C 2.101 177.847 175.800 -0.090 0.000 1.096 285 F CA 2.033 59.978 58.000 -0.091 0.000 1.255 285 F CB -0.426 38.570 39.000 -0.007 0.000 0.997 285 F HN 0.145 nan 8.300 nan 0.000 0.479 286 S N 0.348 116.068 115.700 0.032 0.000 2.387 286 S HA -0.069 4.400 4.470 -0.001 0.000 0.226 286 S C 2.011 176.565 174.600 -0.077 0.000 1.026 286 S CA 0.923 59.112 58.200 -0.018 0.000 0.972 286 S CB -0.453 62.756 63.200 0.014 0.000 0.814 286 S HN 0.337 nan 8.310 nan 0.000 0.477 287 L N 0.912 122.078 121.223 -0.095 0.000 2.353 287 L HA 0.033 4.372 4.340 -0.001 0.000 0.220 287 L C 1.333 178.145 176.870 -0.098 0.000 1.133 287 L CA 0.872 55.672 54.840 -0.067 0.000 0.798 287 L CB -0.204 41.806 42.059 -0.081 0.000 0.922 287 L HN 0.290 nan 8.230 nan 0.000 0.445 288 L N -1.015 120.110 121.223 -0.164 0.000 2.693 288 L HA 0.092 4.431 4.340 -0.001 0.000 0.235 288 L C 0.909 177.667 176.870 -0.187 0.000 1.127 288 L CA -0.204 54.538 54.840 -0.163 0.000 0.914 288 L CB -0.001 41.946 42.059 -0.186 0.000 1.193 288 L HN 0.044 nan 8.230 nan 0.000 0.502 289 K N 1.678 121.961 120.400 -0.196 0.000 2.491 289 K HA -0.125 4.195 4.320 -0.001 0.000 0.279 289 K C -0.168 176.363 176.600 -0.115 0.000 1.026 289 K CA 0.442 56.620 56.287 -0.183 0.000 1.070 289 K CB 0.209 32.635 32.500 -0.124 0.000 0.887 289 K HN 0.100 nan 8.250 nan 0.000 0.481 290 D N 1.592 121.927 120.400 -0.108 0.000 2.723 290 D HA -0.171 4.468 4.640 -0.001 0.000 0.236 290 D C -0.773 175.495 176.300 -0.054 0.000 1.138 290 D CA 1.016 54.977 54.000 -0.065 0.000 0.676 290 D CB -0.942 39.831 40.800 -0.046 0.000 1.069 290 D HN 0.443 nan 8.370 nan 0.000 0.430 291 S N -1.005 114.657 115.700 -0.063 0.000 2.554 291 S HA 0.426 4.895 4.470 -0.001 0.000 0.278 291 S C 1.188 175.779 174.600 -0.016 0.000 1.242 291 S CA -0.266 57.909 58.200 -0.042 0.000 1.051 291 S CB 1.483 64.653 63.200 -0.050 0.000 0.986 291 S HN 0.078 nan 8.310 nan 0.000 0.502 292 S N 3.811 119.511 115.700 0.000 0.000 2.524 292 S HA 0.249 4.718 4.470 -0.001 0.000 0.215 292 S C 1.243 175.882 174.600 0.064 0.000 0.986 292 S CA -0.232 57.983 58.200 0.026 0.000 0.911 292 S CB -0.037 63.172 63.200 0.014 0.000 0.805 292 S HN 0.708 nan 8.310 nan 0.000 0.501 293 L N 0.988 122.249 121.223 0.063 0.000 2.567 293 L HA 0.316 4.655 4.340 -0.001 0.000 0.225 293 L C 0.548 177.544 176.870 0.209 0.000 1.119 293 L CA 0.153 55.067 54.840 0.123 0.000 0.871 293 L CB 0.240 42.341 42.059 0.070 0.000 1.036 293 L HN 0.147 nan 8.230 nan 0.000 0.459 294 V N 1.675 121.645 119.914 0.092 0.000 2.472 294 V HA 0.333 4.452 4.120 -0.001 0.000 0.290 294 V C 0.255 176.257 176.094 -0.153 0.000 1.037 294 V CA -0.770 61.509 62.300 -0.035 0.000 0.908 294 V CB 1.530 33.328 31.823 -0.042 0.000 0.985 294 V HN 0.416 nan 8.190 nan 0.000 0.454 295 R N 5.033 125.192 120.500 -0.569 0.000 2.543 295 R HA 0.407 4.747 4.340 -0.001 0.000 0.277 295 R C -0.724 175.463 176.300 -0.188 0.000 1.074 295 R CA -0.428 55.375 56.100 -0.496 0.000 1.076 295 R CB 0.651 30.426 30.300 -0.875 0.000 0.993 295 R HN 0.634 nan 8.270 nan 0.000 0.459 296 E N 2.713 122.868 120.200 -0.075 0.000 2.174 296 E HA 0.226 4.575 4.350 -0.001 0.000 0.282 296 E C -0.568 176.017 176.600 -0.025 0.000 0.992 296 E CA -0.329 56.049 56.400 -0.036 0.000 0.803 296 E CB 1.765 31.460 29.700 -0.008 0.000 1.090 296 E HN 0.626 nan 8.360 nan 0.000 0.396 312 D N 2.094 122.533 120.400 0.065 0.000 2.302 312 D HA 0.198 4.838 4.640 -0.001 0.000 0.248 312 D C -0.136 176.235 176.300 0.117 0.000 1.094 312 D CA -0.145 53.903 54.000 0.080 0.000 0.897 312 D CB 0.796 41.629 40.800 0.054 0.000 1.200 312 D HN 0.137 nan 8.370 nan 0.000 0.429 313 R N 1.454 122.026 120.500 0.120 0.000 2.863 313 R HA 0.002 4.341 4.340 -0.001 0.000 0.273 313 R C 0.925 177.370 176.300 0.242 0.000 1.057 313 R CA -0.178 56.007 56.100 0.141 0.000 1.191 313 R CB -0.103 30.224 30.300 0.045 0.000 1.104 313 R HN 0.517 nan 8.270 nan 0.000 0.519 314 Y N 0.591 120.867 120.300 -0.041 0.000 2.352 314 Y HA -0.181 4.368 4.550 -0.001 0.000 0.292 314 Y C 2.544 178.403 175.900 -0.068 0.000 1.136 314 Y CA 1.405 59.472 58.100 -0.055 0.000 1.227 314 Y CB -0.820 37.597 38.460 -0.071 0.000 0.991 314 Y HN 0.613 nan 8.280 nan 0.000 0.545 315 S N -0.847 114.917 115.700 0.106 0.000 2.469 315 S HA -0.111 4.359 4.470 -0.001 0.000 0.238 315 S C 1.738 176.443 174.600 0.175 0.000 0.998 315 S CA 1.131 59.387 58.200 0.092 0.000 0.957 315 S CB -0.616 62.659 63.200 0.125 0.000 0.764 315 S HN 0.451 nan 8.310 nan 0.000 0.514 316 L N -0.146 121.157 121.223 0.133 0.000 2.433 316 L HA 0.341 4.681 4.340 -0.001 0.000 0.200 316 L C 2.851 179.761 176.870 0.066 0.000 1.059 316 L CA 0.462 55.394 54.840 0.154 0.000 0.835 316 L CB -0.374 41.773 42.059 0.145 0.000 1.076 316 L HN 0.212 nan 8.230 nan 0.000 0.481 317 R N 0.065 120.557 120.500 -0.013 0.000 2.148 317 R HA -0.088 4.252 4.340 -0.001 0.000 0.227 317 R C 1.495 177.692 176.300 -0.172 0.000 1.103 317 R CA 1.422 57.435 56.100 -0.146 0.000 0.983 317 R CB -0.083 30.140 30.300 -0.129 0.000 0.874 317 R HN 0.377 nan 8.270 nan 0.000 0.451 318 C N 0.156 119.396 119.300 -0.100 0.000 3.000 318 C HA 0.252 4.711 4.460 -0.001 0.000 0.286 318 C C 1.912 176.939 174.990 0.062 0.000 1.343 318 C CA -0.866 58.114 59.018 -0.063 0.000 1.742 318 C CB -1.033 26.635 27.740 -0.119 0.000 2.200 318 C HN 0.590 nan 8.230 nan 0.000 0.621 319 L N 2.212 123.504 121.223 0.115 0.000 2.021 319 L HA -0.252 4.087 4.340 -0.001 0.000 0.215 319 L C 2.572 179.620 176.870 0.296 0.000 1.074 319 L CA 2.465 57.447 54.840 0.237 0.000 0.760 319 L CB -0.264 41.992 42.059 0.329 0.000 0.889 319 L HN 0.371 nan 8.230 nan 0.000 0.433 320 A N -0.884 122.124 122.820 0.312 0.000 1.858 320 A HA -0.263 4.056 4.320 -0.001 0.000 0.216 320 A C 2.074 179.781 177.584 0.206 0.000 1.190 320 A CA 1.790 53.976 52.037 0.248 0.000 0.617 320 A CB -0.671 18.423 19.000 0.157 0.000 0.827 320 A HN 0.604 nan 8.150 nan 0.000 0.443 321 Q N -1.395 118.527 119.800 0.204 0.000 2.135 321 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 321 Q C 1.764 177.832 176.000 0.113 0.000 0.981 321 Q CA 1.837 57.728 55.803 0.148 0.000 0.856 321 Q CB -0.508 28.297 28.738 0.111 0.000 0.902 321 Q HN 0.738 nan 8.270 nan 0.000 0.425 322 F N 0.242 120.188 119.950 -0.006 0.000 2.098 322 F HA -0.138 4.389 4.527 -0.001 0.000 0.294 322 F C 1.692 177.488 175.800 -0.007 0.000 1.107 322 F CA 1.025 58.994 58.000 -0.052 0.000 1.234 322 F CB -0.031 38.858 39.000 -0.184 0.000 1.002 322 F HN -0.003 nan 8.300 nan 0.000 0.472 323 I N 0.765 121.474 120.570 0.232 0.000 2.361 323 I HA -0.194 3.975 4.170 -0.001 0.000 0.251 323 I C 2.748 178.870 176.117 0.009 0.000 1.133 323 I CA 1.331 62.725 61.300 0.157 0.000 1.413 323 I CB -2.238 35.930 38.000 0.280 0.000 1.073 323 I HN 0.324 nan 8.210 nan 0.000 0.424 324 G N 2.733 111.551 108.800 0.030 0.000 2.681 324 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 324 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 324 G C -0.483 174.340 174.900 -0.128 0.000 1.210 324 G CA 1.057 46.152 45.100 -0.008 0.000 0.783 324 G HN 0.299 nan 8.290 nan 0.000 0.609 325 P HA -0.035 nan 4.420 nan 0.000 0.218 325 P C 1.831 178.902 177.300 -0.381 0.000 1.148 325 P CA 0.846 63.802 63.100 -0.240 0.000 0.822 325 P CB -0.074 31.503 31.700 -0.205 0.000 0.784 326 I N -1.799 118.513 120.570 -0.429 0.000 2.406 326 I HA -0.140 4.029 4.170 -0.001 0.000 0.249 326 I C 2.097 177.894 176.117 -0.534 0.000 1.122 326 I CA 0.992 61.886 61.300 -0.676 0.000 1.431 326 I CB -0.570 37.219 38.000 -0.352 0.000 1.087 326 I HN -0.178 nan 8.210 nan 0.000 0.424 327 V N 0.693 120.414 119.914 -0.321 0.000 2.453 327 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 327 V C 2.016 177.921 176.094 -0.315 0.000 1.048 327 V CA 1.814 63.924 62.300 -0.317 0.000 1.049 327 V CB -0.543 31.115 31.823 -0.275 0.000 0.672 327 V HN 0.366 nan 8.190 nan 0.000 0.457 328 D N 0.551 120.796 120.400 -0.259 0.000 2.123 328 D HA -0.065 4.575 4.640 -0.001 0.000 0.200 328 D C 2.219 178.406 176.300 -0.189 0.000 0.976 328 D CA 1.519 55.407 54.000 -0.187 0.000 0.831 328 D CB -0.493 40.233 40.800 -0.124 0.000 0.974 328 D HN 0.439 nan 8.370 nan 0.000 0.469 329 G N 0.672 109.286 108.800 -0.309 0.000 2.418 329 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 329 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 329 G C 1.804 176.637 174.900 -0.113 0.000 1.158 329 G CA 0.621 45.584 45.100 -0.228 0.000 0.771 329 G HN 0.237 nan 8.290 nan 0.000 0.545 330 V N 1.712 121.475 119.914 -0.253 0.000 2.626 330 V HA -0.162 3.958 4.120 -0.001 0.000 0.252 330 V C 3.174 179.228 176.094 -0.068 0.000 1.067 330 V CA 2.162 64.401 62.300 -0.102 0.000 1.081 330 V CB -0.077 31.653 31.823 -0.154 0.000 0.686 330 V HN 0.625 nan 8.190 nan 0.000 0.468 331 S N -0.154 115.482 115.700 -0.107 0.000 2.395 331 S HA -0.169 4.301 4.470 -0.001 0.000 0.225 331 S C 1.890 176.476 174.600 -0.023 0.000 1.027 331 S CA 1.223 59.379 58.200 -0.073 0.000 0.965 331 S CB -0.223 62.911 63.200 -0.110 0.000 0.812 331 S HN 0.506 nan 8.310 nan 0.000 0.482 332 E N 1.881 122.073 120.200 -0.013 0.000 2.038 332 E HA -0.081 4.269 4.350 -0.001 0.000 0.195 332 E C 1.786 178.416 176.600 0.050 0.000 1.000 332 E CA 1.761 58.175 56.400 0.023 0.000 0.803 332 E CB -0.729 28.997 29.700 0.042 0.000 0.750 332 E HN 0.670 nan 8.360 nan 0.000 0.448 333 I N 0.114 120.728 120.570 0.073 0.000 2.091 333 I HA -0.386 3.783 4.170 -0.001 0.000 0.239 333 I C 2.320 178.477 176.117 0.067 0.000 1.061 333 I CA 1.887 63.242 61.300 0.092 0.000 1.317 333 I CB -0.795 37.275 38.000 0.117 0.000 1.031 333 I HN 0.193 nan 8.210 nan 0.000 0.401 334 T N 0.555 115.140 114.554 0.052 0.000 2.620 334 T HA -0.333 4.016 4.350 -0.001 0.000 0.267 334 T C 1.920 176.641 174.700 0.034 0.000 1.044 334 T CA 2.134 64.265 62.100 0.051 0.000 1.161 334 T CB -0.363 68.535 68.868 0.050 0.000 0.862 334 T HN 0.331 nan 8.240 nan 0.000 0.438 335 K N 0.627 121.038 120.400 0.019 0.000 2.063 335 K HA -0.190 4.130 4.320 -0.001 0.000 0.208 335 K C 2.384 178.970 176.600 -0.022 0.000 1.048 335 K CA 1.559 57.845 56.287 -0.001 0.000 0.928 335 K CB -0.112 32.385 32.500 -0.006 0.000 0.713 335 K HN 0.467 nan 8.250 nan 0.000 0.442 336 Q N -0.057 119.738 119.800 -0.009 0.000 2.172 336 Q HA -0.075 4.265 4.340 -0.001 0.000 0.200 336 Q C 2.058 178.030 176.000 -0.047 0.000 0.964 336 Q CA 0.779 56.551 55.803 -0.052 0.000 0.855 336 Q CB 0.107 28.883 28.738 0.065 0.000 0.918 336 Q HN 0.329 nan 8.270 nan 0.000 0.444 337 I N 1.144 121.722 120.570 0.012 0.000 2.353 337 I HA -0.176 3.994 4.170 -0.001 0.000 0.248 337 I C 1.961 178.080 176.117 0.003 0.000 1.119 337 I CA 1.328 62.642 61.300 0.023 0.000 1.417 337 I CB -0.805 37.226 38.000 0.051 0.000 1.078 337 I HN 0.280 nan 8.210 nan 0.000 0.421 338 E N 0.518 120.717 120.200 -0.001 0.000 2.110 338 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 338 E C 2.321 178.905 176.600 -0.028 0.000 0.988 338 E CA 1.107 57.506 56.400 -0.003 0.000 0.804 338 E CB 0.059 29.761 29.700 0.002 0.000 0.745 338 E HN 0.274 nan 8.360 nan 0.000 0.458 339 V N 1.632 121.506 119.914 -0.067 0.000 2.515 339 V HA -0.196 3.924 4.120 -0.001 0.000 0.250 339 V C 2.196 178.224 176.094 -0.110 0.000 1.058 339 V CA 1.458 63.693 62.300 -0.109 0.000 1.064 339 V CB -0.360 31.353 31.823 -0.184 0.000 0.675 339 V HN 0.175 nan 8.190 nan 0.000 0.461 340 E N -0.357 119.788 120.200 -0.092 0.000 2.072 340 E HA -0.131 4.219 4.350 -0.001 0.000 0.190 340 E C 2.190 178.778 176.600 -0.020 0.000 0.982 340 E CA 1.133 57.499 56.400 -0.056 0.000 0.803 340 E CB -0.230 29.463 29.700 -0.010 0.000 0.755 340 E HN 0.527 nan 8.360 nan 0.000 0.453 341 M N 0.667 120.264 119.600 -0.005 0.000 2.202 341 M HA -0.141 4.339 4.480 -0.001 0.000 0.262 341 M C 0.479 176.801 176.300 0.037 0.000 1.063 341 M CA 1.040 56.349 55.300 0.015 0.000 1.097 341 M CB 0.089 32.699 32.600 0.017 0.000 1.382 341 M HN -0.100 nan 8.290 nan 0.000 0.413 342 N N 0.180 118.898 118.700 0.031 0.000 2.538 342 N HA 0.196 4.936 4.740 -0.001 0.000 0.291 342 N C -1.027 174.468 175.510 -0.026 0.000 1.323 342 N CA 0.051 53.159 53.050 0.096 0.000 0.934 342 N CB 0.890 39.437 38.487 0.100 0.000 1.255 342 N HN 0.032 nan 8.380 nan 0.000 0.509 343 S N -0.280 115.397 115.700 -0.038 0.000 2.648 343 S HA 0.531 5.000 4.470 -0.001 0.000 0.305 343 S C 0.085 174.653 174.600 -0.053 0.000 1.094 343 S CA -0.601 57.520 58.200 -0.131 0.000 0.983 343 S CB 2.592 65.728 63.200 -0.107 0.000 1.101 343 S HN -0.126 nan 8.310 nan 0.000 0.514 344 V N 2.381 122.244 119.914 -0.086 0.000 2.370 344 V HA 0.388 4.507 4.120 -0.001 0.000 0.279 344 V C 0.985 177.090 176.094 0.018 0.000 1.029 344 V CA -0.322 61.990 62.300 0.020 0.000 0.870 344 V CB 0.738 32.574 31.823 0.022 0.000 0.984 344 V HN 1.154 nan 8.190 nan 0.000 0.451 345 T N -1.141 113.450 114.554 0.062 0.000 3.040 345 T HA 0.127 4.476 4.350 -0.001 0.000 0.266 345 T C 0.344 175.133 174.700 0.148 0.000 1.005 345 T CA -0.311 61.835 62.100 0.078 0.000 0.906 345 T CB -0.041 68.873 68.868 0.077 0.000 1.082 345 T HN 0.706 nan 8.240 nan 0.000 0.531 346 D N 1.631 122.127 120.400 0.160 0.000 2.433 346 D HA 0.360 5.000 4.640 -0.001 0.000 0.255 346 D C -0.441 175.964 176.300 0.175 0.000 1.226 346 D CA -0.492 53.617 54.000 0.181 0.000 1.015 346 D CB 0.828 41.743 40.800 0.191 0.000 1.091 346 D HN 0.269 nan 8.370 nan 0.000 0.527 347 N N -1.080 117.722 118.700 0.170 0.000 2.367 347 N HA 0.376 5.115 4.740 -0.001 0.000 0.278 347 N C -2.924 172.682 175.510 0.159 0.000 1.117 347 N CA -1.243 51.901 53.050 0.157 0.000 0.867 347 N CB 2.462 41.075 38.487 0.209 0.000 1.649 347 N HN 0.115 nan 8.380 nan 0.000 0.479 348 P HA 0.308 nan 4.420 nan 0.000 0.282 348 P C -0.916 176.466 177.300 0.135 0.000 1.287 348 P CA -0.452 62.767 63.100 0.198 0.000 0.792 348 P CB 1.250 33.127 31.700 0.295 0.000 1.163 349 L N 0.706 122.014 121.223 0.141 0.000 2.295 349 L HA 0.369 4.709 4.340 -0.001 0.000 0.285 349 L C 0.290 177.214 176.870 0.089 0.000 1.035 349 L CA -1.064 53.843 54.840 0.113 0.000 0.806 349 L CB 0.894 43.016 42.059 0.106 0.000 1.214 349 L HN 0.162 nan 8.230 nan 0.000 0.426 350 I N 2.378 122.946 120.570 -0.003 0.000 2.312 350 I HA 0.118 4.288 4.170 -0.001 0.000 0.291 350 I C 0.014 176.057 176.117 -0.124 0.000 1.031 350 I CA -0.110 61.088 61.300 -0.170 0.000 1.293 350 I CB 0.828 38.697 38.000 -0.219 0.000 1.403 350 I HN 0.518 nan 8.210 nan 0.000 0.484 351 D N 6.692 127.017 120.400 -0.125 0.000 2.499 351 D HA 0.153 4.793 4.640 -0.001 0.000 0.225 351 D C 1.279 177.512 176.300 -0.111 0.000 1.124 351 D CA -0.415 53.586 54.000 0.002 0.000 0.938 351 D CB 0.944 41.916 40.800 0.286 0.000 1.014 351 D HN 0.366 nan 8.370 nan 0.000 0.517 352 V N 1.878 121.728 119.914 -0.106 0.000 2.392 352 V HA -0.175 3.945 4.120 -0.001 0.000 0.249 352 V C 1.976 178.077 176.094 0.011 0.000 1.059 352 V CA 1.582 63.848 62.300 -0.056 0.000 1.051 352 V CB -0.623 31.196 31.823 -0.007 0.000 0.658 352 V HN 0.312 nan 8.190 nan 0.000 0.455 353 E N 1.762 121.973 120.200 0.018 0.000 2.267 353 E HA -0.154 4.196 4.350 -0.001 0.000 0.197 353 E C 1.527 178.153 176.600 0.043 0.000 0.998 353 E CA 1.573 57.992 56.400 0.032 0.000 0.830 353 E CB -0.365 29.352 29.700 0.029 0.000 0.751 353 E HN 0.818 nan 8.360 nan 0.000 0.491 354 N N 0.237 118.966 118.700 0.050 0.000 2.241 354 N HA 0.011 4.751 4.740 -0.001 0.000 0.238 354 N C -0.831 174.717 175.510 0.064 0.000 1.244 354 N CA -0.075 53.013 53.050 0.063 0.000 0.880 354 N CB 0.778 39.320 38.487 0.092 0.000 1.179 354 N HN -0.012 nan 8.380 nan 0.000 0.513 355 Q N 0.803 120.646 119.800 0.072 0.000 2.423 355 Q HA -0.169 4.171 4.340 -0.001 0.000 0.368 355 Q C -0.768 175.345 176.000 0.188 0.000 1.371 355 Q CA 0.772 56.688 55.803 0.189 0.000 1.106 355 Q CB -1.243 27.620 28.738 0.208 0.000 1.263 355 Q HN 0.316 nan 8.270 nan 0.000 0.325 356 V N -0.048 119.828 119.914 -0.064 0.000 3.108 356 V HA 0.645 4.765 4.120 -0.001 0.000 0.287 356 V C -1.092 174.716 176.094 -0.477 0.000 1.436 356 V CA 0.135 62.334 62.300 -0.168 0.000 1.001 356 V CB 2.542 34.212 31.823 -0.256 0.000 1.141 356 V HN 0.608 nan 8.190 nan 0.000 0.443 357 S N 4.738 120.184 115.700 -0.424 0.000 2.568 357 S HA 0.915 5.384 4.470 -0.001 0.000 0.302 357 S C -1.390 172.903 174.600 -0.510 0.000 1.082 357 S CA -0.618 57.366 58.200 -0.361 0.000 1.009 357 S CB 1.800 64.960 63.200 -0.066 0.000 1.069 357 S HN 0.753 nan 8.310 nan 0.000 0.500 358 Y N -0.576 119.750 120.300 0.044 0.000 2.485 358 Y HA 0.513 5.063 4.550 -0.001 0.000 0.345 358 Y C -0.166 175.816 175.900 0.137 0.000 0.998 358 Y CA -0.967 57.177 58.100 0.073 0.000 1.059 358 Y CB 1.440 39.915 38.460 0.026 0.000 1.234 358 Y HN 0.868 nan 8.280 nan 0.000 0.461 359 H N 1.097 120.271 119.070 0.173 0.000 2.673 359 H HA 0.617 5.173 4.556 -0.001 0.000 0.293 359 H C -0.031 175.365 175.328 0.114 0.000 1.065 359 H CA -0.311 55.818 56.048 0.135 0.000 1.236 359 H CB 0.308 30.136 29.762 0.109 0.000 1.389 359 H HN 0.885 nan 8.280 nan 0.000 0.481 360 G N 1.345 110.105 108.800 -0.068 0.000 3.257 360 G HA2 0.481 4.440 3.960 -0.001 0.000 0.205 360 G HA3 0.481 4.440 3.960 -0.001 0.000 0.205 360 G C -0.214 174.495 174.900 -0.317 0.000 1.234 360 G CA -0.566 44.459 45.100 -0.126 0.000 0.918 360 G HN 0.591 nan 8.290 nan 0.000 0.602 361 G N -0.076 108.434 108.800 -0.484 0.000 4.729 361 G HA2 0.293 4.252 3.960 -0.001 0.000 0.258 361 G HA3 0.293 4.252 3.960 -0.001 0.000 0.258 361 G C -0.100 174.246 174.900 -0.922 0.000 1.188 361 G CA -0.313 44.093 45.100 -1.155 0.000 0.866 361 G HN 0.249 nan 8.290 nan 0.000 0.562 362 N N 0.788 119.161 118.700 -0.545 0.000 2.515 362 N HA 0.027 4.767 4.740 -0.001 0.000 0.191 362 N C 1.314 176.717 175.510 -0.179 0.000 1.182 362 N CA -0.061 52.824 53.050 -0.275 0.000 0.879 362 N CB -0.103 38.298 38.487 -0.143 0.000 0.984 362 N HN 0.629 nan 8.380 nan 0.000 0.453 363 F N -1.309 118.629 119.950 -0.019 0.000 2.765 363 F HA 0.326 4.852 4.527 -0.001 0.000 0.302 363 F C 0.446 176.242 175.800 -0.007 0.000 1.111 363 F CA -0.937 57.058 58.000 -0.009 0.000 1.359 363 F CB -0.603 38.390 39.000 -0.012 0.000 1.097 363 F HN -0.182 nan 8.300 nan 0.000 0.577 364 L N 2.263 123.491 121.223 0.009 0.000 2.283 364 L HA 0.579 4.918 4.340 -0.001 0.000 0.287 364 L C 0.965 177.861 176.870 0.044 0.000 1.073 364 L CA -0.388 54.490 54.840 0.062 0.000 0.822 364 L CB 0.772 42.794 42.059 -0.063 0.000 1.186 364 L HN 0.251 nan 8.230 nan 0.000 0.436 365 G N 3.091 111.937 108.800 0.078 0.000 3.455 365 G HA2 0.011 3.971 3.960 -0.001 0.000 0.250 365 G HA3 0.011 3.971 3.960 -0.001 0.000 0.250 365 G C 0.752 175.684 174.900 0.054 0.000 1.071 365 G CA -0.192 44.957 45.100 0.082 0.000 1.812 365 G HN 0.762 nan 8.290 nan 0.000 0.643 366 Q N 0.166 119.971 119.800 0.009 0.000 2.135 366 Q HA -0.187 4.153 4.340 -0.001 0.000 0.204 366 Q C 1.593 177.530 176.000 -0.104 0.000 0.981 366 Q CA 1.648 57.400 55.803 -0.085 0.000 0.856 366 Q CB -0.328 28.306 28.738 -0.173 0.000 0.902 366 Q HN 0.694 nan 8.270 nan 0.000 0.425 367 Y N -1.368 118.914 120.300 -0.031 0.000 2.293 367 Y HA -0.148 4.402 4.550 -0.001 0.000 0.291 367 Y C 2.107 178.002 175.900 -0.008 0.000 1.137 367 Y CA 1.121 59.209 58.100 -0.021 0.000 1.202 367 Y CB 0.083 38.531 38.460 -0.020 0.000 0.990 367 Y HN -0.018 nan 8.280 nan 0.000 0.537 368 V N -1.102 118.894 119.914 0.137 0.000 2.379 368 V HA -0.182 3.938 4.120 -0.001 0.000 0.245 368 V C 2.457 178.581 176.094 0.050 0.000 1.044 368 V CA 1.837 64.192 62.300 0.091 0.000 1.036 368 V CB -1.250 30.627 31.823 0.090 0.000 0.664 368 V HN 0.510 nan 8.190 nan 0.000 0.453 369 G N -0.275 108.542 108.800 0.028 0.000 2.402 369 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.216 369 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.216 369 G C 1.676 176.563 174.900 -0.022 0.000 1.162 369 G CA 1.165 46.270 45.100 0.007 0.000 0.777 369 G HN 0.350 nan 8.290 nan 0.000 0.539 370 V N 0.760 120.642 119.914 -0.053 0.000 2.307 370 V HA -0.155 3.965 4.120 -0.001 0.000 0.245 370 V C 3.156 179.218 176.094 -0.055 0.000 1.045 370 V CA 2.328 64.579 62.300 -0.083 0.000 1.024 370 V CB -0.757 30.975 31.823 -0.151 0.000 0.651 370 V HN 0.364 nan 8.190 nan 0.000 0.449 371 T N -0.172 114.378 114.554 -0.007 0.000 2.708 371 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 371 T C 1.950 176.662 174.700 0.020 0.000 1.037 371 T CA 1.523 63.643 62.100 0.033 0.000 1.146 371 T CB -0.260 68.661 68.868 0.089 0.000 0.865 371 T HN 0.174 nan 8.240 nan 0.000 0.435 372 M N 1.206 120.817 119.600 0.017 0.000 2.175 372 M HA -0.043 4.437 4.480 -0.001 0.000 0.264 372 M C 1.885 178.177 176.300 -0.014 0.000 1.063 372 M CA 1.187 56.495 55.300 0.012 0.000 1.119 372 M CB -1.159 31.450 32.600 0.015 0.000 1.377 372 M HN 0.148 nan 8.290 nan 0.000 0.415 373 D N 0.468 120.847 120.400 -0.036 0.000 2.103 373 D HA -0.155 4.485 4.640 -0.001 0.000 0.190 373 D C 2.160 178.394 176.300 -0.111 0.000 0.997 373 D CA 1.359 55.321 54.000 -0.064 0.000 0.833 373 D CB -0.239 40.509 40.800 -0.087 0.000 0.961 373 D HN 0.322 nan 8.370 nan 0.000 0.447 374 R N -0.047 120.349 120.500 -0.173 0.000 2.113 374 R HA -0.176 4.164 4.340 -0.001 0.000 0.244 374 R C 2.354 178.428 176.300 -0.378 0.000 1.142 374 R CA 0.865 56.756 56.100 -0.349 0.000 0.953 374 R CB -0.633 29.490 30.300 -0.294 0.000 0.860 374 R HN 0.154 nan 8.270 nan 0.000 0.438 375 L N 1.367 122.528 121.223 -0.102 0.000 2.012 375 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 375 L C 2.215 179.098 176.870 0.021 0.000 1.073 375 L CA 1.786 56.660 54.840 0.056 0.000 0.748 375 L CB -0.325 41.786 42.059 0.088 0.000 0.891 375 L HN 0.051 nan 8.230 nan 0.000 0.431 376 R N -1.903 118.595 120.500 -0.004 0.000 2.096 376 R HA -0.237 4.102 4.340 -0.001 0.000 0.235 376 R C 2.286 178.580 176.300 -0.010 0.000 1.127 376 R CA 1.852 57.954 56.100 0.003 0.000 0.968 376 R CB -0.765 29.553 30.300 0.030 0.000 0.861 376 R HN 0.511 nan 8.270 nan 0.000 0.440 377 Y N 0.246 120.429 120.300 -0.195 0.000 2.242 377 Y HA -0.252 4.297 4.550 -0.001 0.000 0.291 377 Y C 1.578 177.373 175.900 -0.176 0.000 1.137 377 Y CA 1.376 59.341 58.100 -0.226 0.000 1.181 377 Y CB -0.131 38.133 38.460 -0.327 0.000 0.989 377 Y HN -0.025 nan 8.280 nan 0.000 0.527 378 Y N -0.239 120.042 120.300 -0.032 0.000 2.263 378 Y HA -0.142 4.408 4.550 -0.001 0.000 0.292 378 Y C 2.442 178.230 175.900 -0.186 0.000 1.130 378 Y CA 0.886 58.901 58.100 -0.143 0.000 1.179 378 Y CB -0.783 37.657 38.460 -0.034 0.000 0.998 378 Y HN 0.148 nan 8.280 nan 0.000 0.532 379 I N -0.513 120.031 120.570 -0.044 0.000 2.163 379 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 379 I C 2.631 178.501 176.117 -0.412 0.000 1.085 379 I CA 1.656 62.781 61.300 -0.291 0.000 1.347 379 I CB -0.880 36.965 38.000 -0.258 0.000 1.044 379 I HN 0.291 nan 8.210 nan 0.000 0.408 380 G N 0.793 109.430 108.800 -0.271 0.000 2.442 380 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.219 380 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.219 380 G C 1.704 176.484 174.900 -0.200 0.000 1.141 380 G CA 0.556 45.512 45.100 -0.239 0.000 0.763 380 G HN 0.270 nan 8.290 nan 0.000 0.554 381 L N -0.290 120.817 121.223 -0.193 0.000 2.005 381 L HA 0.032 4.372 4.340 -0.001 0.000 0.207 381 L C 2.941 179.913 176.870 0.169 0.000 1.072 381 L CA 0.498 55.320 54.840 -0.030 0.000 0.744 381 L CB -0.459 41.514 42.059 -0.144 0.000 0.895 381 L HN 0.180 nan 8.230 nan 0.000 0.433 382 L N -0.209 121.075 121.223 0.101 0.000 1.990 382 L HA -0.284 4.055 4.340 -0.001 0.000 0.213 382 L C 2.900 179.882 176.870 0.186 0.000 1.072 382 L CA 1.555 56.535 54.840 0.234 0.000 0.755 382 L CB -0.817 41.354 42.059 0.186 0.000 0.889 382 L HN 0.288 nan 8.230 nan 0.000 0.432 383 A N -0.136 122.619 122.820 -0.108 0.000 1.908 383 A HA -0.278 4.041 4.320 -0.001 0.000 0.218 383 A C 2.378 179.915 177.584 -0.079 0.000 1.181 383 A CA 2.137 54.079 52.037 -0.158 0.000 0.627 383 A CB -0.517 18.126 19.000 -0.596 0.000 0.818 383 A HN 0.371 nan 8.150 nan 0.000 0.445 384 K N -1.123 119.246 120.400 -0.051 0.000 2.148 384 K HA -0.212 4.108 4.320 -0.001 0.000 0.204 384 K C 1.940 178.597 176.600 0.095 0.000 1.050 384 K CA 1.529 57.817 56.287 0.001 0.000 0.942 384 K CB -0.335 32.166 32.500 0.001 0.000 0.724 384 K HN 0.824 nan 8.250 nan 0.000 0.446 385 H N -0.185 118.899 119.070 0.023 0.000 2.395 385 H HA -0.041 4.515 4.556 -0.001 0.000 0.299 385 H C 1.992 177.391 175.328 0.118 0.000 1.070 385 H CA 1.323 57.338 56.048 -0.056 0.000 1.356 385 H CB 0.175 29.878 29.762 -0.099 0.000 1.401 385 H HN 0.164 nan 8.280 nan 0.000 0.524 386 I N 0.683 121.363 120.570 0.183 0.000 2.179 386 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 386 I C 2.139 178.338 176.117 0.137 0.000 1.088 386 I CA 1.547 62.918 61.300 0.119 0.000 1.357 386 I CB -0.269 37.884 38.000 0.256 0.000 1.051 386 I HN 0.297 nan 8.210 nan 0.000 0.409 387 D N 0.320 120.843 120.400 0.206 0.000 2.190 387 D HA -0.161 4.478 4.640 -0.001 0.000 0.200 387 D C 2.125 178.448 176.300 0.038 0.000 0.992 387 D CA 0.935 55.026 54.000 0.151 0.000 0.854 387 D CB 0.131 41.010 40.800 0.132 0.000 0.936 387 D HN 0.056 nan 8.370 nan 0.000 0.462 388 V N 0.316 120.258 119.914 0.047 0.000 2.548 388 V HA -0.174 3.946 4.120 -0.001 0.000 0.249 388 V C 2.332 178.429 176.094 0.006 0.000 1.055 388 V CA 1.146 63.453 62.300 0.011 0.000 1.065 388 V CB -0.263 31.574 31.823 0.022 0.000 0.681 388 V HN 0.259 nan 8.190 nan 0.000 0.462 389 Q N -0.240 119.583 119.800 0.038 0.000 2.016 389 Q HA -0.096 4.243 4.340 -0.001 0.000 0.200 389 Q C 2.305 178.285 176.000 -0.032 0.000 0.978 389 Q CA 1.750 57.575 55.803 0.037 0.000 0.833 389 Q CB -0.415 28.365 28.738 0.070 0.000 0.895 389 Q HN 0.548 nan 8.270 nan 0.000 0.427 390 I N 1.171 121.670 120.570 -0.119 0.000 2.145 390 I HA -0.352 3.817 4.170 -0.001 0.000 0.244 390 I C 2.437 178.421 176.117 -0.221 0.000 1.075 390 I CA 1.282 62.389 61.300 -0.321 0.000 1.332 390 I CB -0.570 37.087 38.000 -0.572 0.000 1.033 390 I HN 0.115 nan 8.210 nan 0.000 0.410 391 A N 1.015 123.757 122.820 -0.130 0.000 1.903 391 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 391 A C 2.298 179.882 177.584 0.001 0.000 1.191 391 A CA 1.959 53.958 52.037 -0.063 0.000 0.638 391 A CB -1.088 17.875 19.000 -0.063 0.000 0.823 391 A HN 0.445 nan 8.150 nan 0.000 0.451 392 L N -0.902 120.322 121.223 0.001 0.000 2.046 392 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 392 L C 2.636 179.586 176.870 0.134 0.000 1.077 392 L CA 1.096 55.989 54.840 0.089 0.000 0.747 392 L CB -0.623 41.479 42.059 0.071 0.000 0.896 392 L HN 0.393 nan 8.230 nan 0.000 0.432 393 L N -0.671 120.600 121.223 0.079 0.000 2.012 393 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 393 L C 2.451 179.403 176.870 0.137 0.000 1.073 393 L CA 1.093 56.000 54.840 0.113 0.000 0.748 393 L CB -0.556 41.566 42.059 0.104 0.000 0.891 393 L HN 0.096 nan 8.230 nan 0.000 0.431 394 V N -1.330 118.646 119.914 0.104 0.000 2.970 394 V HA -0.107 4.013 4.120 -0.001 0.000 0.260 394 V C 0.928 177.098 176.094 0.127 0.000 1.100 394 V CA 0.741 63.123 62.300 0.138 0.000 1.122 394 V CB -0.339 31.549 31.823 0.108 0.000 0.721 394 V HN 0.258 nan 8.190 nan 0.000 0.483 395 S N 0.861 116.649 115.700 0.147 0.000 2.422 395 S HA 0.316 4.785 4.470 -0.001 0.000 0.298 395 S C -1.677 172.978 174.600 0.092 0.000 1.118 395 S CA -0.854 57.434 58.200 0.147 0.000 1.083 395 S CB 1.468 64.844 63.200 0.294 0.000 0.971 395 S HN 0.172 nan 8.310 nan 0.000 0.478 396 P HA -0.119 nan 4.420 nan 0.000 0.219 396 P C 0.808 178.066 177.300 -0.070 0.000 1.146 396 P CA 1.003 64.103 63.100 0.001 0.000 0.808 396 P CB 0.177 31.873 31.700 -0.007 0.000 0.779 397 E N -1.934 118.148 120.200 -0.197 0.000 2.150 397 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 397 E C 1.050 177.338 176.600 -0.520 0.000 0.985 397 E CA 1.122 57.258 56.400 -0.439 0.000 0.814 397 E CB -0.455 28.797 29.700 -0.746 0.000 0.752 397 E HN 0.351 nan 8.360 nan 0.000 0.466 398 F N -1.041 118.929 119.950 0.034 0.000 2.727 398 F HA 0.148 4.675 4.527 -0.001 0.000 0.302 398 F C 1.997 177.830 175.800 0.054 0.000 1.107 398 F CA 0.271 58.295 58.000 0.039 0.000 1.277 398 F CB 0.011 39.030 39.000 0.031 0.000 1.079 398 F HN -0.072 nan 8.300 nan 0.000 0.594 399 S N -0.413 115.407 115.700 0.199 0.000 2.603 399 S HA -0.072 4.397 4.470 -0.001 0.000 0.229 399 S C 0.567 175.250 174.600 0.137 0.000 0.972 399 S CA 0.282 58.580 58.200 0.163 0.000 0.935 399 S CB -0.716 62.570 63.200 0.142 0.000 0.769 399 S HN 0.429 nan 8.310 nan 0.000 0.536 400 N N 0.931 119.700 118.700 0.116 0.000 2.780 400 N HA -0.154 4.586 4.740 -0.001 0.000 0.247 400 N C 0.723 176.271 175.510 0.064 0.000 1.076 400 N CA 0.911 54.022 53.050 0.101 0.000 0.688 400 N CB -1.665 36.914 38.487 0.154 0.000 0.957 400 N HN 1.004 nan 8.380 nan 0.000 0.551 401 G N -1.407 107.421 108.800 0.045 0.000 2.213 401 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.226 401 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.226 401 G C 0.206 175.135 174.900 0.049 0.000 0.992 401 G CA 0.239 45.356 45.100 0.028 0.000 0.632 401 G HN 0.346 nan 8.290 nan 0.000 0.511 402 L N 1.621 122.890 121.223 0.075 0.000 2.473 402 L HA 0.355 4.695 4.340 -0.001 0.000 0.268 402 L C -1.585 175.339 176.870 0.091 0.000 1.215 402 L CA -1.683 53.216 54.840 0.099 0.000 0.823 402 L CB 0.260 42.394 42.059 0.125 0.000 1.099 402 L HN -0.042 nan 8.230 nan 0.000 0.483 403 P HA 0.090 nan 4.420 nan 0.000 0.271 403 P C -2.459 174.888 177.300 0.079 0.000 1.218 403 P CA -1.055 62.094 63.100 0.082 0.000 0.780 403 P CB -0.036 31.716 31.700 0.087 0.000 0.901 404 P HA -0.076 nan 4.420 nan 0.000 0.267 404 P C -0.267 177.078 177.300 0.074 0.000 1.209 404 P CA 0.706 63.843 63.100 0.061 0.000 0.763 404 P CB 0.170 31.892 31.700 0.037 0.000 0.816 405 S N 1.536 117.303 115.700 0.111 0.000 3.490 405 S HA -0.194 4.276 4.470 -0.001 0.000 0.301 405 S C 0.809 175.493 174.600 0.140 0.000 1.233 405 S CA 0.755 59.043 58.200 0.147 0.000 0.914 405 S CB -2.186 61.073 63.200 0.099 0.000 1.047 405 S HN 0.675 nan 8.310 nan 0.000 0.602 406 L N -2.209 119.097 121.223 0.138 0.000 3.678 406 L HA -0.198 4.142 4.340 -0.001 0.000 0.425 406 L C 0.612 177.510 176.870 0.047 0.000 1.240 406 L CA 0.357 55.269 54.840 0.120 0.000 0.876 406 L CB -1.854 40.301 42.059 0.160 0.000 1.766 406 L HN 0.454 nan 8.230 nan 0.000 0.917 407 V N 0.629 120.557 119.914 0.023 0.000 2.763 407 V HA 0.341 4.461 4.120 -0.001 0.000 0.306 407 V C 1.613 177.678 176.094 -0.049 0.000 1.059 407 V CA 1.342 63.618 62.300 -0.039 0.000 1.138 407 V CB 1.695 33.487 31.823 -0.051 0.000 0.940 407 V HN 0.427 nan 8.190 nan 0.000 0.489 408 G N 4.402 113.127 108.800 -0.125 0.000 2.497 408 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.210 408 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.210 408 G C 0.622 175.271 174.900 -0.418 0.000 1.177 408 G CA 0.329 45.354 45.100 -0.124 0.000 0.822 408 G HN 0.694 nan 8.290 nan 0.000 0.550 409 N N 0.572 118.809 118.700 -0.772 0.000 2.801 409 N HA 0.303 5.043 4.740 -0.001 0.000 0.235 409 N C 1.109 176.297 175.510 -0.538 0.000 1.069 409 N CA -0.096 52.263 53.050 -1.153 0.000 0.946 409 N CB 1.005 38.478 38.487 -1.690 0.000 1.212 409 N HN -0.058 nan 8.380 nan 0.000 0.509 410 S N 1.532 117.039 115.700 -0.322 0.000 2.442 410 S HA -0.173 4.296 4.470 -0.001 0.000 0.236 410 S C 1.285 175.799 174.600 -0.143 0.000 1.007 410 S CA 1.009 59.113 58.200 -0.161 0.000 0.965 410 S CB -0.243 62.923 63.200 -0.057 0.000 0.773 410 S HN 0.764 nan 8.310 nan 0.000 0.504 411 D N 1.540 121.835 120.400 -0.175 0.000 2.106 411 D HA -0.155 4.484 4.640 -0.001 0.000 0.191 411 D C 1.115 177.344 176.300 -0.119 0.000 0.997 411 D CA 1.078 55.012 54.000 -0.110 0.000 0.834 411 D CB -0.025 40.719 40.800 -0.092 0.000 0.956 411 D HN 0.212 nan 8.370 nan 0.000 0.448 412 R N -0.033 120.358 120.500 -0.182 0.000 2.347 412 R HA 0.063 4.402 4.340 -0.001 0.000 0.304 412 R C 0.704 176.926 176.300 -0.130 0.000 1.072 412 R CA -0.372 55.639 56.100 -0.148 0.000 0.980 412 R CB 0.575 30.763 30.300 -0.186 0.000 0.986 412 R HN -0.057 nan 8.270 nan 0.000 0.448 413 K N 3.335 123.682 120.400 -0.089 0.000 2.305 413 K HA -0.045 4.275 4.320 -0.001 0.000 0.199 413 K C 1.710 178.268 176.600 -0.070 0.000 1.047 413 K CA 1.039 57.284 56.287 -0.071 0.000 0.976 413 K CB -0.000 32.470 32.500 -0.049 0.000 0.765 413 K HN 0.616 nan 8.250 nan 0.000 0.474 414 V N -0.384 119.486 119.914 -0.074 0.000 2.809 414 V HA -0.027 4.093 4.120 -0.001 0.000 0.256 414 V C 0.513 176.559 176.094 -0.079 0.000 1.080 414 V CA 0.290 62.550 62.300 -0.067 0.000 1.102 414 V CB -0.722 31.064 31.823 -0.062 0.000 0.705 414 V HN 0.063 nan 8.190 nan 0.000 0.475 415 N N 1.632 120.267 118.700 -0.109 0.000 2.411 415 N HA 0.128 4.867 4.740 -0.001 0.000 0.261 415 N C 0.575 176.029 175.510 -0.093 0.000 1.248 415 N CA 0.371 53.346 53.050 -0.123 0.000 0.885 415 N CB 1.222 39.597 38.487 -0.187 0.000 1.062 415 N HN 0.340 nan 8.380 nan 0.000 0.471 416 M N 0.768 120.321 119.600 -0.079 0.000 2.367 416 M HA 0.149 4.629 4.480 -0.001 0.000 0.256 416 M C 1.235 177.508 176.300 -0.046 0.000 1.091 416 M CA 0.023 55.293 55.300 -0.050 0.000 1.049 416 M CB -0.819 31.760 32.600 -0.036 0.000 1.406 416 M HN 0.709 nan 8.290 nan 0.000 0.498 417 G N 1.585 110.338 108.800 -0.078 0.000 2.539 417 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.256 417 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.256 417 G C 0.227 175.076 174.900 -0.085 0.000 1.233 417 G CA -0.252 44.798 45.100 -0.084 0.000 0.936 417 G HN 0.390 nan 8.290 nan 0.000 0.571 418 L N 1.257 122.431 121.223 -0.082 0.000 2.718 418 L HA 0.188 4.528 4.340 -0.001 0.000 0.242 418 L C 2.484 179.405 176.870 0.085 0.000 1.203 418 L CA 0.840 55.610 54.840 -0.117 0.000 1.011 418 L CB -0.314 41.486 42.059 -0.433 0.000 1.250 418 L HN 0.675 nan 8.230 nan 0.000 0.437 419 K N 1.212 121.656 120.400 0.073 0.000 2.147 419 K HA -0.119 4.200 4.320 -0.001 0.000 0.205 419 K C 1.936 178.593 176.600 0.095 0.000 1.049 419 K CA 1.379 57.729 56.287 0.105 0.000 0.936 419 K CB -0.011 32.523 32.500 0.057 0.000 0.722 419 K HN 0.381 nan 8.250 nan 0.000 0.446 420 G N 1.053 109.882 108.800 0.048 0.000 2.464 420 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.217 420 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.217 420 G C 1.329 176.269 174.900 0.065 0.000 1.138 420 G CA 0.273 45.396 45.100 0.039 0.000 0.793 420 G HN 0.285 nan 8.290 nan 0.000 0.539 421 L N 0.234 121.499 121.223 0.070 0.000 2.156 421 L HA 0.100 4.440 4.340 -0.001 0.000 0.208 421 L C 2.679 179.724 176.870 0.291 0.000 1.095 421 L CA 1.964 56.866 54.840 0.104 0.000 0.770 421 L CB -0.304 41.715 42.059 -0.066 0.000 0.914 421 L HN 0.353 nan 8.230 nan 0.000 0.439 422 Q N -0.394 119.637 119.800 0.386 0.000 2.079 422 Q HA -0.180 4.160 4.340 -0.001 0.000 0.200 422 Q C 2.218 178.314 176.000 0.159 0.000 0.974 422 Q CA 1.946 57.923 55.803 0.290 0.000 0.840 422 Q CB -0.161 28.695 28.738 0.197 0.000 0.898 422 Q HN 0.649 nan 8.270 nan 0.000 0.430 423 I N 0.400 121.048 120.570 0.131 0.000 2.361 423 I HA -0.240 3.930 4.170 -0.001 0.000 0.251 423 I C 2.580 178.757 176.117 0.101 0.000 1.133 423 I CA 1.000 62.356 61.300 0.094 0.000 1.413 423 I CB -0.318 37.724 38.000 0.070 0.000 1.073 423 I HN 0.214 nan 8.210 nan 0.000 0.424 424 S N 0.809 116.577 115.700 0.113 0.000 2.368 424 S HA -0.109 4.361 4.470 -0.001 0.000 0.224 424 S C 2.094 176.790 174.600 0.159 0.000 1.029 424 S CA 1.595 59.863 58.200 0.113 0.000 0.988 424 S CB -0.509 62.750 63.200 0.098 0.000 0.838 424 S HN 0.547 nan 8.310 nan 0.000 0.462 425 G N 0.481 109.399 108.800 0.197 0.000 2.448 425 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.218 425 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.218 425 G C 1.287 176.369 174.900 0.303 0.000 1.135 425 G CA 0.494 45.779 45.100 0.307 0.000 0.784 425 G HN 0.651 nan 8.290 nan 0.000 0.543 426 N N 0.329 119.134 118.700 0.175 0.000 2.459 426 N HA -0.069 4.670 4.740 -0.001 0.000 0.181 426 N C 2.228 177.792 175.510 0.090 0.000 1.046 426 N CA 0.980 54.099 53.050 0.114 0.000 0.904 426 N CB 0.100 38.634 38.487 0.078 0.000 0.964 426 N HN 0.434 nan 8.380 nan 0.000 0.444 427 S N -0.504 115.258 115.700 0.103 0.000 2.503 427 S HA 0.178 4.647 4.470 -0.001 0.000 0.217 427 S C 1.581 176.229 174.600 0.080 0.000 0.999 427 S CA -0.050 58.194 58.200 0.072 0.000 0.914 427 S CB 0.051 63.290 63.200 0.065 0.000 0.782 427 S HN 0.196 nan 8.310 nan 0.000 0.520 428 I N 0.748 121.395 120.570 0.128 0.000 2.628 428 I HA 0.058 4.227 4.170 -0.001 0.000 0.255 428 I C 2.713 178.840 176.117 0.016 0.000 1.119 428 I CA 0.545 61.925 61.300 0.133 0.000 1.448 428 I CB -0.234 37.938 38.000 0.288 0.000 1.133 428 I HN 0.275 nan 8.210 nan 0.000 0.438 429 M N 1.940 121.499 119.600 -0.068 0.000 2.082 429 M HA -0.143 4.336 4.480 -0.001 0.000 0.258 429 M C -0.786 175.451 176.300 -0.104 0.000 1.069 429 M CA 2.592 57.744 55.300 -0.248 0.000 1.102 429 M CB -1.646 30.810 32.600 -0.240 0.000 1.336 429 M HN -0.036 nan 8.290 nan 0.000 0.404 430 P HA -0.138 nan 4.420 nan 0.000 0.217 430 P C 1.739 179.069 177.300 0.049 0.000 1.150 430 P CA 0.951 64.055 63.100 0.006 0.000 0.832 430 P CB -0.353 31.353 31.700 0.009 0.000 0.787 431 L N -0.923 120.331 121.223 0.052 0.000 2.079 431 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 431 L C 2.127 179.147 176.870 0.249 0.000 1.081 431 L CA 1.768 56.678 54.840 0.118 0.000 0.752 431 L CB -1.307 40.825 42.059 0.122 0.000 0.896 431 L HN -0.111 nan 8.230 nan 0.000 0.433 432 L N -1.312 119.987 121.223 0.127 0.000 2.046 432 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 432 L C 2.464 179.373 176.870 0.065 0.000 1.077 432 L CA 1.474 56.363 54.840 0.081 0.000 0.747 432 L CB -0.659 41.316 42.059 -0.140 0.000 0.896 432 L HN 0.248 nan 8.230 nan 0.000 0.432 433 S N -0.303 115.408 115.700 0.019 0.000 2.382 433 S HA -0.193 4.277 4.470 -0.001 0.000 0.228 433 S C 1.755 176.382 174.600 0.045 0.000 1.027 433 S CA 1.214 59.417 58.200 0.004 0.000 0.991 433 S CB -0.405 62.793 63.200 -0.003 0.000 0.823 433 S HN 0.383 nan 8.310 nan 0.000 0.469 434 F N 1.276 121.192 119.950 -0.057 0.000 2.171 434 F HA -0.138 4.388 4.527 -0.001 0.000 0.300 434 F C 1.751 177.458 175.800 -0.155 0.000 1.090 434 F CA 1.251 59.176 58.000 -0.125 0.000 1.293 434 F CB -0.351 38.529 39.000 -0.200 0.000 1.013 434 F HN 0.142 nan 8.300 nan 0.000 0.486 435 Y N 0.425 120.768 120.300 0.073 0.000 2.616 435 Y HA 0.112 4.661 4.550 -0.001 0.000 0.296 435 Y C 2.455 178.295 175.900 -0.099 0.000 1.154 435 Y CA 0.782 58.866 58.100 -0.027 0.000 1.325 435 Y CB -0.860 37.646 38.460 0.077 0.000 1.007 435 Y HN 0.140 nan 8.280 nan 0.000 0.542 436 G N -0.445 108.366 108.800 0.018 0.000 2.776 436 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.209 436 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.209 436 G C 0.694 175.590 174.900 -0.006 0.000 1.145 436 G CA -0.107 45.005 45.100 0.021 0.000 0.791 436 G HN 0.148 nan 8.290 nan 0.000 0.530 437 N N 0.785 119.405 118.700 -0.135 0.000 2.444 437 N HA 0.198 4.938 4.740 -0.001 0.000 0.255 437 N C 0.616 176.056 175.510 -0.115 0.000 1.255 437 N CA 0.171 53.121 53.050 -0.165 0.000 0.933 437 N CB 1.296 39.590 38.487 -0.321 0.000 1.143 437 N HN 0.277 nan 8.380 nan 0.000 0.453 438 S N 0.244 115.881 115.700 -0.105 0.000 2.693 438 S HA 0.455 4.925 4.470 -0.001 0.000 0.276 438 S C 0.578 175.144 174.600 -0.057 0.000 1.192 438 S CA -0.532 57.621 58.200 -0.079 0.000 0.994 438 S CB 1.653 64.798 63.200 -0.091 0.000 1.012 438 S HN 0.513 nan 8.310 nan 0.000 0.550 439 L N -0.286 120.922 121.223 -0.025 0.000 3.066 439 L HA 0.508 4.848 4.340 -0.001 0.000 0.272 439 L C 2.090 178.984 176.870 0.040 0.000 1.101 439 L CA 0.915 55.757 54.840 0.005 0.000 1.022 439 L CB -0.737 41.335 42.059 0.022 0.000 1.600 439 L HN 0.874 nan 8.230 nan 0.000 0.559 440 A N 0.369 123.209 122.820 0.032 0.000 2.024 440 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 440 A C 1.710 179.396 177.584 0.170 0.000 1.164 440 A CA 1.934 54.010 52.037 0.065 0.000 0.643 440 A CB -0.759 18.241 19.000 -0.000 0.000 0.806 440 A HN 0.695 nan 8.150 nan 0.000 0.451 441 D N -0.797 119.665 120.400 0.103 0.000 2.323 441 D HA -0.086 4.554 4.640 -0.001 0.000 0.209 441 D C 1.346 177.666 176.300 0.033 0.000 0.973 441 D CA 0.459 54.522 54.000 0.105 0.000 0.874 441 D CB -0.388 40.418 40.800 0.010 0.000 0.930 441 D HN 0.471 nan 8.370 nan 0.000 0.521 442 R N 0.493 121.014 120.500 0.035 0.000 2.480 442 R HA 0.175 4.515 4.340 -0.001 0.000 0.277 442 R C -0.044 176.239 176.300 -0.028 0.000 1.008 442 R CA -0.515 55.559 56.100 -0.042 0.000 1.090 442 R CB -0.340 29.945 30.300 -0.025 0.000 1.234 442 R HN 0.193 nan 8.270 nan 0.000 0.549 443 F N 1.373 121.304 119.950 -0.031 0.000 2.529 443 F HA 0.282 4.809 4.527 -0.001 0.000 0.365 443 F C -2.010 173.752 175.800 -0.063 0.000 1.102 443 F CA -3.218 54.757 58.000 -0.042 0.000 1.271 443 F CB -0.226 38.752 39.000 -0.037 0.000 1.120 443 F HN -0.126 nan 8.300 nan 0.000 0.579 444 P HA 0.085 nan 4.420 nan 0.000 0.281 444 P C 0.483 177.647 177.300 -0.225 0.000 1.286 444 P CA -0.264 62.693 63.100 -0.238 0.000 0.772 444 P CB 1.225 32.698 31.700 -0.379 0.000 0.862 445 T N -1.062 113.391 114.554 -0.168 0.000 3.085 445 T HA -0.128 4.221 4.350 -0.001 0.000 0.263 445 T C 1.411 176.124 174.700 0.021 0.000 1.127 445 T CA 0.812 62.922 62.100 0.017 0.000 1.103 445 T CB -0.872 68.031 68.868 0.060 0.000 0.921 445 T HN 0.568 nan 8.240 nan 0.000 0.510 446 H N 0.549 119.615 119.070 -0.007 0.000 2.539 446 H HA 0.588 5.144 4.556 -0.001 0.000 0.269 446 H C 0.900 175.944 175.328 -0.473 0.000 0.980 446 H CA -0.068 55.819 56.048 -0.269 0.000 1.152 446 H CB -0.667 28.952 29.762 -0.239 0.000 1.407 446 H HN 0.460 nan 8.280 nan 0.000 0.564 447 A N 2.157 124.669 122.820 -0.514 0.000 2.587 447 A HA -0.078 4.241 4.320 -0.001 0.000 0.233 447 A C 0.762 178.235 177.584 -0.184 0.000 1.049 447 A CA 0.460 52.317 52.037 -0.300 0.000 0.754 447 A CB -0.135 18.744 19.000 -0.202 0.000 0.977 447 A HN 0.623 nan 8.150 nan 0.000 0.509 448 E N 1.391 121.517 120.200 -0.123 0.000 2.452 448 E HA -0.247 4.103 4.350 -0.001 0.000 0.155 448 E C 0.058 176.622 176.600 -0.059 0.000 1.746 448 E CA 1.134 57.498 56.400 -0.059 0.000 0.636 448 E CB -1.233 28.459 29.700 -0.015 0.000 1.069 448 E HN 0.935 nan 8.360 nan 0.000 0.335 449 Q N 0.206 119.941 119.800 -0.108 0.000 2.437 449 Q HA -0.272 4.067 4.340 -0.001 0.000 0.274 449 Q C -0.027 176.076 176.000 0.171 0.000 1.165 449 Q CA 1.103 56.909 55.803 0.005 0.000 0.925 449 Q CB -1.500 27.297 28.738 0.099 0.000 1.327 449 Q HN 0.731 nan 8.270 nan 0.000 0.505 450 F N -4.217 115.776 119.950 0.073 0.000 2.794 450 F HA -0.375 4.152 4.527 -0.001 0.000 0.335 450 F C 1.118 176.956 175.800 0.063 0.000 0.653 450 F CA 1.053 59.096 58.000 0.071 0.000 1.266 450 F CB -1.677 37.365 39.000 0.070 0.000 1.666 450 F HN 0.324 nan 8.300 nan 0.000 0.314 451 N N 0.474 119.271 118.700 0.160 0.000 2.376 451 N HA -0.043 4.696 4.740 -0.001 0.000 0.177 451 N C 0.716 176.292 175.510 0.110 0.000 1.024 451 N CA 0.878 54.009 53.050 0.134 0.000 0.893 451 N CB -0.059 38.492 38.487 0.106 0.000 0.980 451 N HN 0.569 nan 8.380 nan 0.000 0.439 452 Q N 1.760 121.605 119.800 0.074 0.000 2.936 452 Q HA 0.123 4.462 4.340 -0.001 0.000 0.383 452 Q C 0.284 176.327 176.000 0.072 0.000 1.167 452 Q CA -0.393 55.448 55.803 0.064 0.000 1.038 452 Q CB 0.079 28.833 28.738 0.027 0.000 1.409 452 Q HN 0.327 nan 8.270 nan 0.000 0.448 453 N N 0.917 119.687 118.700 0.116 0.000 2.519 453 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 453 N C 0.613 176.255 175.510 0.219 0.000 1.062 453 N CA 0.715 53.864 53.050 0.164 0.000 0.910 453 N CB -0.159 38.438 38.487 0.184 0.000 0.958 453 N HN 0.501 nan 8.380 nan 0.000 0.445 454 I N -3.165 117.467 120.570 0.104 0.000 2.686 454 I HA 0.601 4.771 4.170 -0.001 0.000 0.295 454 I C -1.686 174.329 176.117 -0.171 0.000 1.114 454 I CA -1.209 60.034 61.300 -0.095 0.000 1.038 454 I CB 2.358 40.236 38.000 -0.204 0.000 1.238 454 I HN -0.027 nan 8.210 nan 0.000 0.420 455 N N 1.714 120.187 118.700 -0.379 0.000 2.591 455 N HA 0.369 5.109 4.740 -0.001 0.000 0.263 455 N C -0.081 175.264 175.510 -0.275 0.000 1.308 455 N CA -0.322 52.615 53.050 -0.187 0.000 0.837 455 N CB 1.753 40.226 38.487 -0.023 0.000 1.548 455 N HN 0.606 nan 8.380 nan 0.000 0.493 456 S N -0.932 114.697 115.700 -0.118 0.000 2.458 456 S HA -0.076 4.394 4.470 -0.001 0.000 0.223 456 S C 0.418 175.013 174.600 -0.008 0.000 1.019 456 S CA 0.398 58.544 58.200 -0.089 0.000 0.937 456 S CB -0.514 62.666 63.200 -0.033 0.000 0.788 456 S HN 0.576 nan 8.310 nan 0.000 0.511 457 Q N -0.489 119.337 119.800 0.044 0.000 2.416 457 Q HA -0.170 4.169 4.340 -0.001 0.000 0.235 457 Q C 1.099 177.156 176.000 0.096 0.000 0.773 457 Q CA 0.919 56.774 55.803 0.086 0.000 1.286 457 Q CB -2.395 26.396 28.738 0.089 0.000 1.556 457 Q HN 0.706 nan 8.270 nan 0.000 0.650 458 G N -0.028 108.827 108.800 0.093 0.000 2.469 458 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.219 458 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.219 458 G C 0.971 175.955 174.900 0.141 0.000 1.150 458 G CA 1.190 46.350 45.100 0.100 0.000 0.763 458 G HN 0.467 nan 8.290 nan 0.000 0.561 459 Y N 1.003 121.334 120.300 0.051 0.000 2.114 459 Y HA -0.100 4.450 4.550 -0.001 0.000 0.284 459 Y C 2.688 178.632 175.900 0.074 0.000 1.143 459 Y CA 1.269 59.405 58.100 0.060 0.000 1.135 459 Y CB -0.055 38.446 38.460 0.067 0.000 0.980 459 Y HN 0.102 nan 8.280 nan 0.000 0.499 460 I N -1.121 119.547 120.570 0.163 0.000 2.353 460 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 460 I C 2.642 178.779 176.117 0.033 0.000 1.119 460 I CA 1.585 62.937 61.300 0.086 0.000 1.417 460 I CB -1.630 36.464 38.000 0.157 0.000 1.078 460 I HN 0.228 nan 8.210 nan 0.000 0.421 461 S N 0.878 116.607 115.700 0.048 0.000 2.383 461 S HA -0.180 4.289 4.470 -0.001 0.000 0.229 461 S C 2.229 176.829 174.600 -0.000 0.000 1.030 461 S CA 1.587 59.806 58.200 0.030 0.000 1.002 461 S CB -0.102 63.117 63.200 0.031 0.000 0.829 461 S HN 0.491 nan 8.310 nan 0.000 0.467 462 A N 2.077 124.880 122.820 -0.028 0.000 1.877 462 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 462 A C 2.032 179.559 177.584 -0.095 0.000 1.186 462 A CA 1.683 53.685 52.037 -0.058 0.000 0.620 462 A CB -0.842 18.110 19.000 -0.080 0.000 0.822 462 A HN 0.617 nan 8.150 nan 0.000 0.443 463 N N 0.191 118.799 118.700 -0.153 0.000 2.166 463 N HA -0.098 4.641 4.740 -0.001 0.000 0.186 463 N C 1.687 177.156 175.510 -0.068 0.000 1.019 463 N CA 1.281 54.248 53.050 -0.140 0.000 0.856 463 N CB -0.482 37.905 38.487 -0.165 0.000 0.993 463 N HN 0.509 nan 8.380 nan 0.000 0.426 464 L N 0.701 121.912 121.223 -0.020 0.000 2.046 464 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 464 L C 2.070 178.900 176.870 -0.067 0.000 1.077 464 L CA 1.165 56.006 54.840 0.002 0.000 0.747 464 L CB -0.758 41.356 42.059 0.092 0.000 0.896 464 L HN 0.158 nan 8.230 nan 0.000 0.432 465 T N -1.238 113.293 114.554 -0.037 0.000 2.915 465 T HA -0.177 4.173 4.350 -0.001 0.000 0.269 465 T C 1.934 176.603 174.700 -0.052 0.000 1.071 465 T CA 0.992 63.071 62.100 -0.035 0.000 1.132 465 T CB -0.175 68.690 68.868 -0.005 0.000 0.878 465 T HN 0.141 nan 8.240 nan 0.000 0.479 466 R N 1.774 122.235 120.500 -0.065 0.000 2.090 466 R HA 0.073 4.413 4.340 -0.001 0.000 0.228 466 R C 2.279 178.525 176.300 -0.090 0.000 1.110 466 R CA 1.319 57.383 56.100 -0.061 0.000 0.973 466 R CB -0.547 29.712 30.300 -0.069 0.000 0.869 466 R HN 0.110 nan 8.270 nan 0.000 0.440 467 R N 0.105 120.514 120.500 -0.153 0.000 2.120 467 R HA 0.112 4.451 4.340 -0.001 0.000 0.234 467 R C 1.962 178.087 176.300 -0.291 0.000 1.123 467 R CA 1.933 57.892 56.100 -0.235 0.000 0.975 467 R CB -0.798 29.294 30.300 -0.346 0.000 0.866 467 R HN 0.263 nan 8.270 nan 0.000 0.446 468 S N -0.692 114.835 115.700 -0.287 0.000 2.345 468 S HA -0.061 4.409 4.470 -0.001 0.000 0.220 468 S C 1.869 176.471 174.600 0.003 0.000 1.031 468 S CA 1.277 59.371 58.200 -0.176 0.000 0.996 468 S CB -0.321 62.818 63.200 -0.103 0.000 0.882 468 S HN 0.157 nan 8.310 nan 0.000 0.445 469 V N 2.574 122.509 119.914 0.034 0.000 2.282 469 V HA -0.242 3.877 4.120 -0.001 0.000 0.249 469 V C 2.044 178.196 176.094 0.097 0.000 1.057 469 V CA 2.080 64.448 62.300 0.114 0.000 1.032 469 V CB -0.798 31.065 31.823 0.067 0.000 0.645 469 V HN 0.405 nan 8.190 nan 0.000 0.447 470 D N -0.150 120.270 120.400 0.033 0.000 2.104 470 D HA -0.143 4.496 4.640 -0.001 0.000 0.194 470 D C 2.013 178.351 176.300 0.063 0.000 0.994 470 D CA 1.522 55.538 54.000 0.027 0.000 0.830 470 D CB -0.263 40.532 40.800 -0.009 0.000 0.959 470 D HN 0.433 nan 8.370 nan 0.000 0.452 471 I N 0.007 120.619 120.570 0.070 0.000 2.252 471 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 471 I C 2.120 178.387 176.117 0.250 0.000 1.102 471 I CA 0.505 61.880 61.300 0.125 0.000 1.385 471 I CB -0.183 37.873 38.000 0.094 0.000 1.064 471 I HN -0.097 nan 8.210 nan 0.000 0.414 472 F N 1.938 121.925 119.950 0.062 0.000 2.333 472 F HA -0.167 4.359 4.527 -0.001 0.000 0.300 472 F C 2.379 178.249 175.800 0.117 0.000 1.083 472 F CA 1.386 59.453 58.000 0.111 0.000 1.395 472 F CB -0.543 38.493 39.000 0.060 0.000 1.056 472 F HN 0.143 nan 8.300 nan 0.000 0.529 473 Q N -0.426 119.427 119.800 0.089 0.000 2.172 473 Q HA -0.155 4.185 4.340 -0.001 0.000 0.200 473 Q C 1.924 177.921 176.000 -0.004 0.000 0.964 473 Q CA 1.454 57.227 55.803 -0.048 0.000 0.855 473 Q CB -0.312 28.413 28.738 -0.021 0.000 0.918 473 Q HN 0.565 nan 8.270 nan 0.000 0.444 474 N N -0.363 118.385 118.700 0.080 0.000 2.142 474 N HA -0.172 4.568 4.740 -0.001 0.000 0.186 474 N C 1.602 177.174 175.510 0.104 0.000 1.023 474 N CA 0.655 53.756 53.050 0.085 0.000 0.852 474 N CB -0.058 38.498 38.487 0.115 0.000 0.998 474 N HN 0.169 nan 8.380 nan 0.000 0.424 475 Y N 1.543 121.903 120.300 0.101 0.000 2.145 475 Y HA -0.145 4.404 4.550 -0.001 0.000 0.286 475 Y C 2.321 178.263 175.900 0.070 0.000 1.145 475 Y CA 1.431 59.617 58.100 0.144 0.000 1.148 475 Y CB -0.146 38.498 38.460 0.306 0.000 0.981 475 Y HN 0.029 nan 8.280 nan 0.000 0.507 476 M N -0.291 119.264 119.600 -0.075 0.000 2.202 476 M HA -0.218 4.262 4.480 -0.001 0.000 0.262 476 M C 2.348 178.545 176.300 -0.171 0.000 1.063 476 M CA 1.601 56.773 55.300 -0.213 0.000 1.097 476 M CB -1.581 30.823 32.600 -0.326 0.000 1.382 476 M HN 0.481 nan 8.290 nan 0.000 0.413 477 A N 0.339 123.089 122.820 -0.117 0.000 1.873 477 A HA -0.129 4.191 4.320 -0.001 0.000 0.215 477 A C 2.173 179.718 177.584 -0.066 0.000 1.186 477 A CA 1.270 53.262 52.037 -0.075 0.000 0.616 477 A CB -0.739 18.241 19.000 -0.033 0.000 0.823 477 A HN 0.465 nan 8.150 nan 0.000 0.442 478 I N -0.231 120.284 120.570 -0.092 0.000 2.286 478 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 478 I C 2.961 179.083 176.117 0.007 0.000 1.115 478 I CA 1.057 62.328 61.300 -0.048 0.000 1.392 478 I CB -0.451 37.505 38.000 -0.074 0.000 1.065 478 I HN 0.384 nan 8.210 nan 0.000 0.418 479 A N 1.271 123.994 122.820 -0.162 0.000 1.855 479 A HA -0.155 4.165 4.320 -0.001 0.000 0.215 479 A C 2.307 179.906 177.584 0.025 0.000 1.191 479 A CA 1.288 53.279 52.037 -0.076 0.000 0.613 479 A CB -0.922 17.956 19.000 -0.203 0.000 0.829 479 A HN 0.343 nan 8.150 nan 0.000 0.442 480 L N -1.021 120.176 121.223 -0.043 0.000 2.043 480 L HA -0.299 4.041 4.340 -0.001 0.000 0.212 480 L C 2.912 179.777 176.870 -0.008 0.000 1.075 480 L CA 1.924 56.742 54.840 -0.037 0.000 0.752 480 L CB -0.541 41.469 42.059 -0.081 0.000 0.891 480 L HN 0.454 nan 8.230 nan 0.000 0.432 481 M N -1.665 117.939 119.600 0.007 0.000 2.108 481 M HA -0.240 4.240 4.480 -0.001 0.000 0.261 481 M C 2.243 178.586 176.300 0.072 0.000 1.066 481 M CA 1.904 57.234 55.300 0.049 0.000 1.107 481 M CB -0.433 32.211 32.600 0.073 0.000 1.356 481 M HN 0.093 nan 8.290 nan 0.000 0.406 482 F N 0.052 120.042 119.950 0.068 0.000 2.186 482 F HA -0.077 4.450 4.527 -0.001 0.000 0.299 482 F C 2.500 178.355 175.800 0.091 0.000 1.090 482 F CA 1.491 59.537 58.000 0.076 0.000 1.307 482 F CB -0.617 38.400 39.000 0.028 0.000 1.019 482 F HN 0.162 nan 8.300 nan 0.000 0.489 483 G N -0.930 108.016 108.800 0.243 0.000 2.448 483 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.218 483 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.218 483 G C 1.688 176.703 174.900 0.191 0.000 1.135 483 G CA 0.857 46.068 45.100 0.184 0.000 0.784 483 G HN 0.229 nan 8.290 nan 0.000 0.543 484 V N 0.464 120.472 119.914 0.157 0.000 2.379 484 V HA -0.168 3.952 4.120 -0.001 0.000 0.245 484 V C 2.733 178.998 176.094 0.284 0.000 1.044 484 V CA 2.150 64.558 62.300 0.180 0.000 1.036 484 V CB -0.173 31.562 31.823 -0.147 0.000 0.664 484 V HN 0.440 nan 8.190 nan 0.000 0.453 485 Q N 0.712 120.689 119.800 0.295 0.000 2.119 485 Q HA -0.096 4.244 4.340 -0.001 0.000 0.201 485 Q C 2.082 178.232 176.000 0.249 0.000 0.972 485 Q CA 2.093 58.075 55.803 0.298 0.000 0.847 485 Q CB -0.517 28.339 28.738 0.196 0.000 0.903 485 Q HN 0.571 nan 8.270 nan 0.000 0.433 486 A N -0.067 122.897 122.820 0.239 0.000 1.877 486 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 486 A C 2.187 179.886 177.584 0.193 0.000 1.186 486 A CA 1.948 54.116 52.037 0.218 0.000 0.620 486 A CB -1.139 17.992 19.000 0.217 0.000 0.822 486 A HN 0.502 nan 8.150 nan 0.000 0.443 487 V N -1.910 118.115 119.914 0.185 0.000 2.626 487 V HA -0.166 3.954 4.120 -0.001 0.000 0.252 487 V C 1.737 177.911 176.094 0.132 0.000 1.067 487 V CA 2.295 64.671 62.300 0.126 0.000 1.081 487 V CB -0.946 30.917 31.823 0.067 0.000 0.686 487 V HN 0.338 nan 8.190 nan 0.000 0.468 488 D N 1.196 121.731 120.400 0.226 0.000 2.077 488 D HA -0.053 4.587 4.640 -0.001 0.000 0.196 488 D C 2.120 178.607 176.300 0.312 0.000 0.986 488 D CA 1.819 55.992 54.000 0.288 0.000 0.829 488 D CB -0.416 40.605 40.800 0.368 0.000 0.983 488 D HN 0.438 nan 8.370 nan 0.000 0.453 489 L N 0.194 121.606 121.223 0.316 0.000 2.265 489 L HA -0.118 4.221 4.340 -0.001 0.000 0.215 489 L C 2.340 179.334 176.870 0.207 0.000 1.117 489 L CA 0.623 55.654 54.840 0.317 0.000 0.782 489 L CB -0.224 41.999 42.059 0.273 0.000 0.914 489 L HN -0.030 nan 8.230 nan 0.000 0.441 490 R N 0.117 120.703 120.500 0.143 0.000 2.075 490 R HA -0.074 4.266 4.340 -0.001 0.000 0.226 490 R C 2.164 178.466 176.300 0.002 0.000 1.114 490 R CA 1.826 57.970 56.100 0.073 0.000 0.972 490 R CB -0.842 29.508 30.300 0.084 0.000 0.869 490 R HN 0.088 nan 8.270 nan 0.000 0.437 491 T N 0.327 114.879 114.554 -0.004 0.000 2.684 491 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 491 T C 1.327 175.892 174.700 -0.225 0.000 1.036 491 T CA 1.756 63.783 62.100 -0.122 0.000 1.148 491 T CB -0.613 68.183 68.868 -0.121 0.000 0.863 491 T HN 0.336 nan 8.240 nan 0.000 0.436 492 Y N 2.030 122.130 120.300 -0.334 0.000 2.207 492 Y HA -0.113 4.437 4.550 -0.001 0.000 0.287 492 Y C 2.414 178.141 175.900 -0.288 0.000 1.156 492 Y CA 1.514 59.325 58.100 -0.481 0.000 1.182 492 Y CB -0.207 37.793 38.460 -0.768 0.000 0.979 492 Y HN 0.057 nan 8.280 nan 0.000 0.521 493 K N -0.524 119.754 120.400 -0.204 0.000 2.211 493 K HA -0.137 4.183 4.320 -0.001 0.000 0.203 493 K C 1.778 178.215 176.600 -0.271 0.000 1.050 493 K CA 1.515 57.656 56.287 -0.243 0.000 0.945 493 K CB -0.085 32.361 32.500 -0.090 0.000 0.732 493 K HN 0.405 nan 8.250 nan 0.000 0.451 494 M N -0.401 119.052 119.600 -0.245 0.000 2.556 494 M HA 0.002 4.481 4.480 -0.001 0.000 0.264 494 M C 1.512 177.677 176.300 -0.225 0.000 1.163 494 M CA 0.794 55.962 55.300 -0.220 0.000 1.186 494 M CB 0.392 32.886 32.600 -0.176 0.000 1.321 494 M HN -0.096 nan 8.290 nan 0.000 0.485 495 K N -0.573 119.655 120.400 -0.288 0.000 2.370 495 K HA 0.317 4.636 4.320 -0.001 0.000 0.194 495 K C 1.226 177.677 176.600 -0.249 0.000 1.070 495 K CA 1.015 57.150 56.287 -0.253 0.000 0.998 495 K CB 0.704 33.012 32.500 -0.320 0.000 0.911 495 K HN 0.444 nan 8.250 nan 0.000 0.533 496 G N 2.252 110.805 108.800 -0.412 0.000 2.176 496 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.232 496 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.232 496 G C -0.125 174.750 174.900 -0.042 0.000 0.986 496 G CA 0.603 45.476 45.100 -0.378 0.000 0.643 496 G HN 0.591 nan 8.290 nan 0.000 0.522 497 H N -2.788 116.269 119.070 -0.022 0.000 2.946 497 H HA 0.714 5.269 4.556 -0.001 0.000 0.365 497 H C -0.127 175.165 175.328 -0.060 0.000 1.197 497 H CA -1.636 54.422 56.048 0.017 0.000 1.131 497 H CB 0.631 30.413 29.762 0.033 0.000 1.849 497 H HN 0.023 nan 8.280 nan 0.000 0.555 498 Y N -0.542 119.927 120.300 0.281 0.000 2.645 498 Y HA 0.150 4.700 4.550 -0.001 0.000 0.307 498 Y C 0.034 176.075 175.900 0.234 0.000 1.151 498 Y CA -0.479 57.726 58.100 0.175 0.000 1.291 498 Y CB 0.280 38.769 38.460 0.048 0.000 1.135 498 Y HN 0.690 nan 8.280 nan 0.000 0.523 499 D N 0.482 121.220 120.400 0.564 0.000 2.500 499 D HA 0.347 4.986 4.640 -0.001 0.000 0.219 499 D C 1.230 177.670 176.300 0.233 0.000 1.137 499 D CA 0.090 54.293 54.000 0.337 0.000 0.946 499 D CB 0.714 41.610 40.800 0.161 0.000 1.022 499 D HN 0.308 nan 8.370 nan 0.000 0.518 500 A N 3.817 126.673 122.820 0.060 0.000 1.978 500 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 500 A C 2.092 179.532 177.584 -0.241 0.000 1.170 500 A CA 1.082 53.015 52.037 -0.175 0.000 0.636 500 A CB -0.222 18.492 19.000 -0.476 0.000 0.810 500 A HN 0.584 nan 8.150 nan 0.000 0.448 501 R N -0.819 119.559 120.500 -0.203 0.000 2.159 501 R HA -0.095 4.245 4.340 -0.001 0.000 0.237 501 R C 1.701 177.973 176.300 -0.046 0.000 1.131 501 R CA 1.657 57.685 56.100 -0.121 0.000 0.982 501 R CB -0.659 29.640 30.300 -0.001 0.000 0.868 501 R HN 0.504 nan 8.270 nan 0.000 0.453 502 T N -0.796 113.765 114.554 0.012 0.000 3.072 502 T HA -0.043 4.307 4.350 -0.001 0.000 0.266 502 T C 1.432 176.148 174.700 0.026 0.000 1.127 502 T CA 0.775 62.896 62.100 0.036 0.000 1.107 502 T CB 0.036 68.963 68.868 0.098 0.000 0.910 502 T HN 0.408 nan 8.240 nan 0.000 0.513 503 C N -0.261 119.036 119.300 -0.005 0.000 3.637 503 C HA 0.462 4.921 4.460 -0.001 0.000 0.439 503 C C 0.897 175.861 174.990 -0.044 0.000 1.443 503 C CA -1.013 57.995 59.018 -0.017 0.000 2.037 503 C CB -0.387 27.344 27.740 -0.015 0.000 2.957 503 C HN 0.390 nan 8.230 nan 0.000 0.669 504 L N 2.912 124.082 121.223 -0.088 0.000 2.467 504 L HA 0.206 4.545 4.340 -0.001 0.000 0.270 504 L C 0.792 177.624 176.870 -0.064 0.000 1.205 504 L CA 0.406 55.189 54.840 -0.096 0.000 0.828 504 L CB 0.596 42.550 42.059 -0.174 0.000 1.101 504 L HN 0.399 nan 8.230 nan 0.000 0.479 505 S N 1.591 117.259 115.700 -0.053 0.000 2.562 505 S HA 0.119 4.588 4.470 -0.001 0.000 0.281 505 S C -1.868 172.706 174.600 -0.044 0.000 1.333 505 S CA -1.167 57.002 58.200 -0.050 0.000 1.052 505 S CB 0.937 64.102 63.200 -0.059 0.000 0.884 505 S HN 0.421 nan 8.310 nan 0.000 0.506 506 P HA -0.147 nan 4.420 nan 0.000 0.217 506 P C 0.770 178.040 177.300 -0.050 0.000 1.151 506 P CA 1.446 64.520 63.100 -0.043 0.000 0.849 506 P CB -0.128 31.544 31.700 -0.046 0.000 0.787 507 N N -1.748 116.922 118.700 -0.051 0.000 2.244 507 N HA -0.104 4.635 4.740 -0.001 0.000 0.183 507 N C 1.471 176.993 175.510 0.019 0.000 1.016 507 N CA 1.799 54.818 53.050 -0.050 0.000 0.866 507 N CB -0.957 37.533 38.487 0.004 0.000 0.980 507 N HN 0.297 nan 8.380 nan 0.000 0.430 508 T N -3.103 111.465 114.554 0.023 0.000 3.065 508 T HA 0.147 4.497 4.350 -0.001 0.000 0.252 508 T C 1.781 176.526 174.700 0.076 0.000 1.099 508 T CA 0.065 62.198 62.100 0.055 0.000 1.063 508 T CB -0.299 68.589 68.868 0.034 0.000 0.948 508 T HN -0.125 nan 8.240 nan 0.000 0.506 509 V N 1.785 121.723 119.914 0.040 0.000 2.427 509 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 509 V C 2.864 179.028 176.094 0.117 0.000 1.051 509 V CA 1.768 64.110 62.300 0.070 0.000 1.048 509 V CB -0.801 31.032 31.823 0.016 0.000 0.666 509 V HN 0.491 nan 8.190 nan 0.000 0.456 510 Q N -0.568 119.265 119.800 0.056 0.000 2.030 510 Q HA -0.241 4.099 4.340 -0.001 0.000 0.204 510 Q C 2.291 178.327 176.000 0.060 0.000 0.986 510 Q CA 1.979 57.806 55.803 0.040 0.000 0.843 510 Q CB -0.393 28.342 28.738 -0.004 0.000 0.904 510 Q HN 0.521 nan 8.270 nan 0.000 0.420 511 L N -0.160 121.113 121.223 0.083 0.000 2.046 511 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 511 L C 2.168 179.065 176.870 0.044 0.000 1.077 511 L CA 1.770 56.648 54.840 0.064 0.000 0.747 511 L CB -0.823 41.282 42.059 0.078 0.000 0.896 511 L HN 0.236 nan 8.230 nan 0.000 0.432 512 Y N 0.700 120.985 120.300 -0.025 0.000 2.030 512 Y HA -0.363 4.186 4.550 -0.001 0.000 0.274 512 Y C 2.737 178.600 175.900 -0.062 0.000 1.153 512 Y CA 3.138 61.214 58.100 -0.041 0.000 1.115 512 Y CB -1.030 37.419 38.460 -0.019 0.000 0.969 512 Y HN 0.444 nan 8.280 nan 0.000 0.488 513 T N -1.184 113.365 114.554 -0.009 0.000 2.788 513 T HA -0.167 4.183 4.350 -0.001 0.000 0.268 513 T C 2.078 176.690 174.700 -0.146 0.000 1.044 513 T CA 1.301 63.339 62.100 -0.103 0.000 1.139 513 T CB -1.168 67.727 68.868 0.045 0.000 0.867 513 T HN 0.435 nan 8.240 nan 0.000 0.454 514 A N 1.001 123.766 122.820 -0.092 0.000 1.972 514 A HA 0.054 4.374 4.320 -0.001 0.000 0.219 514 A C 2.592 180.088 177.584 -0.146 0.000 1.169 514 A CA 1.550 53.534 52.037 -0.089 0.000 0.635 514 A CB -0.990 17.983 19.000 -0.045 0.000 0.810 514 A HN 0.436 nan 8.150 nan 0.000 0.446 515 V N -1.059 118.730 119.914 -0.209 0.000 2.488 515 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 515 V C 2.562 178.445 176.094 -0.352 0.000 1.046 515 V CA 1.787 63.928 62.300 -0.265 0.000 1.053 515 V CB -0.865 30.782 31.823 -0.294 0.000 0.679 515 V HN 0.719 nan 8.190 nan 0.000 0.458 516 C N -0.256 118.788 119.300 -0.427 0.000 2.440 516 C HA -0.140 4.320 4.460 -0.001 0.000 0.278 516 C C 2.665 177.498 174.990 -0.262 0.000 1.295 516 C CA 1.025 59.795 59.018 -0.412 0.000 1.738 516 C CB -0.825 26.651 27.740 -0.440 0.000 1.987 516 C HN 0.664 nan 8.230 nan 0.000 0.492 517 E N 0.929 121.006 120.200 -0.205 0.000 2.031 517 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 517 E C 2.091 178.607 176.600 -0.141 0.000 0.994 517 E CA 1.538 57.855 56.400 -0.139 0.000 0.800 517 E CB 0.002 29.641 29.700 -0.102 0.000 0.752 517 E HN 0.422 nan 8.360 nan 0.000 0.447 518 V N 0.857 120.679 119.914 -0.153 0.000 2.407 518 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 518 V C 2.423 178.410 176.094 -0.179 0.000 1.055 518 V CA 1.735 63.952 62.300 -0.139 0.000 1.049 518 V CB -0.332 31.416 31.823 -0.125 0.000 0.662 518 V HN 0.410 nan 8.190 nan 0.000 0.455 519 V N -1.816 117.937 119.914 -0.267 0.000 3.129 519 V HA 0.467 4.587 4.120 -0.001 0.000 0.259 519 V C 1.635 177.523 176.094 -0.343 0.000 1.116 519 V CA 0.950 62.998 62.300 -0.419 0.000 1.127 519 V CB -0.599 30.852 31.823 -0.620 0.000 0.742 519 V HN 0.756 nan 8.190 nan 0.000 0.474 520 G N 0.230 108.902 108.800 -0.214 0.000 2.132 520 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.228 520 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.228 520 G C -0.090 174.756 174.900 -0.090 0.000 1.000 520 G CA 0.075 45.098 45.100 -0.128 0.000 0.693 520 G HN 0.480 nan 8.290 nan 0.000 0.515 521 K N 1.043 121.380 120.400 -0.104 0.000 2.253 521 K HA 0.480 4.800 4.320 -0.001 0.000 0.277 521 K C -2.521 174.044 176.600 -0.058 0.000 1.053 521 K CA -1.979 54.289 56.287 -0.032 0.000 0.892 521 K CB 1.941 34.482 32.500 0.069 0.000 1.102 521 K HN 0.156 nan 8.250 nan 0.000 0.469 522 P HA 0.225 nan 4.420 nan 0.000 0.287 522 P C -0.201 177.094 177.300 -0.009 0.000 1.307 522 P CA -0.546 62.537 63.100 -0.028 0.000 0.777 522 P CB 0.385 32.070 31.700 -0.025 0.000 0.883 523 L N 3.457 124.683 121.223 0.005 0.000 2.667 523 L HA 0.132 4.472 4.340 -0.001 0.000 0.278 523 L C 0.874 177.767 176.870 0.038 0.000 1.217 523 L CA 0.979 55.851 54.840 0.053 0.000 0.935 523 L CB -0.860 41.244 42.059 0.075 0.000 1.193 523 L HN 0.531 nan 8.230 nan 0.000 0.493 524 T N -2.030 112.555 114.554 0.052 0.000 3.041 524 T HA 0.231 4.581 4.350 -0.001 0.000 0.321 524 T C 0.527 175.272 174.700 0.075 0.000 1.184 524 T CA -0.289 61.827 62.100 0.027 0.000 1.050 524 T CB 1.660 70.513 68.868 -0.025 0.000 1.159 524 T HN 0.468 nan 8.240 nan 0.000 0.469 525 S N 1.168 116.910 115.700 0.071 0.000 2.561 525 S HA -0.047 4.423 4.470 -0.001 0.000 0.225 525 S C 1.886 176.603 174.600 0.195 0.000 0.977 525 S CA 0.710 59.004 58.200 0.158 0.000 0.926 525 S CB -0.758 62.458 63.200 0.027 0.000 0.769 525 S HN 1.306 nan 8.310 nan 0.000 0.533 526 V N -2.042 117.909 119.914 0.061 0.000 3.406 526 V HA 0.453 4.573 4.120 -0.001 0.000 0.263 526 V C 0.451 176.406 176.094 -0.232 0.000 1.172 526 V CA -0.137 62.154 62.300 -0.016 0.000 1.140 526 V CB -0.708 31.062 31.823 -0.088 0.000 0.784 526 V HN 0.295 nan 8.190 nan 0.000 0.467 527 R N 0.571 120.889 120.500 -0.304 0.000 2.643 527 R HA 0.535 4.875 4.340 -0.001 0.000 0.269 527 R C -3.196 172.764 176.300 -0.567 0.000 1.037 527 R CA -1.395 54.227 56.100 -0.796 0.000 0.894 527 R CB 2.048 31.884 30.300 -0.772 0.000 1.238 527 R HN 0.126 nan 8.270 nan 0.000 0.459 528 P HA 0.107 nan 4.420 nan 0.000 0.284 528 P C 0.367 177.657 177.300 -0.016 0.000 1.292 528 P CA -0.440 62.508 63.100 -0.252 0.000 0.800 528 P CB 0.726 32.250 31.700 -0.294 0.000 1.188 529 Y N 0.917 121.213 120.300 -0.007 0.000 2.114 529 Y HA -0.082 4.467 4.550 -0.001 0.000 0.282 529 Y C 0.707 176.615 175.900 0.014 0.000 1.165 529 Y CA 1.491 59.590 58.100 -0.002 0.000 1.148 529 Y CB -0.328 38.136 38.460 0.008 0.000 0.972 529 Y HN 0.049 nan 8.280 nan 0.000 0.504 530 I N 0.503 120.915 120.570 -0.263 0.000 2.382 530 I HA -0.018 4.151 4.170 -0.001 0.000 0.286 530 I C 0.548 176.644 176.117 -0.034 0.000 1.002 530 I CA -0.844 60.267 61.300 -0.316 0.000 1.135 530 I CB 0.491 38.225 38.000 -0.444 0.000 1.288 530 I HN 0.530 nan 8.210 nan 0.000 0.448 531 W N 6.382 127.536 121.300 -0.243 0.000 3.008 531 W HA 0.166 4.825 4.660 -0.000 0.000 0.273 531 W C 0.118 176.537 176.519 -0.167 0.000 1.012 531 W CA 0.226 57.440 57.345 -0.218 0.000 1.885 531 W CB 0.664 30.004 29.460 -0.200 0.000 1.150 531 W HN 0.372 nan 8.180 nan 0.000 0.564 532 N N 1.314 119.967 118.700 -0.078 0.000 2.443 532 N HA 0.071 4.811 4.740 -0.001 0.000 0.293 532 N C 0.009 175.438 175.510 -0.135 0.000 1.159 532 N CA -0.151 52.782 53.050 -0.195 0.000 0.904 532 N CB 1.532 39.936 38.487 -0.138 0.000 1.214 532 N HN -0.029 nan 8.380 nan 0.000 0.513 533 D N -0.068 120.246 120.400 -0.142 0.000 2.183 533 D HA -0.112 4.528 4.640 -0.001 0.000 0.203 533 D C 1.170 177.409 176.300 -0.102 0.000 0.969 533 D CA 1.097 55.023 54.000 -0.125 0.000 0.842 533 D CB -0.029 40.705 40.800 -0.111 0.000 0.957 533 D HN 0.574 nan 8.370 nan 0.000 0.484 534 N N 0.559 119.210 118.700 -0.082 0.000 2.398 534 N HA -0.070 4.670 4.740 -0.001 0.000 0.188 534 N C 0.656 176.138 175.510 -0.047 0.000 1.122 534 N CA 0.215 53.229 53.050 -0.061 0.000 0.866 534 N CB -0.184 38.274 38.487 -0.048 0.000 0.970 534 N HN 0.193 nan 8.380 nan 0.000 0.462 535 E N -0.119 120.052 120.200 -0.048 0.000 2.479 535 E HA 0.032 4.382 4.350 -0.001 0.000 0.193 535 E C 0.072 176.650 176.600 -0.036 0.000 1.049 535 E CA 0.105 56.491 56.400 -0.023 0.000 0.870 535 E CB 0.145 29.852 29.700 0.012 0.000 0.944 535 E HN 0.541 nan 8.360 nan 0.000 0.492 536 Q N -0.657 119.093 119.800 -0.084 0.000 2.647 536 Q HA 0.222 4.561 4.340 -0.001 0.000 0.283 536 Q C -1.426 174.464 176.000 -0.183 0.000 0.943 536 Q CA -0.770 54.961 55.803 -0.121 0.000 0.813 536 Q CB 0.696 29.330 28.738 -0.174 0.000 1.477 536 Q HN 0.009 nan 8.270 nan 0.000 0.393 537 C N 2.506 121.687 119.300 -0.197 0.000 2.203 537 C HA 0.372 4.832 4.460 -0.001 0.000 0.325 537 C C 2.244 177.059 174.990 -0.292 0.000 1.156 537 C CA -0.522 58.391 59.018 -0.175 0.000 1.597 537 C CB -1.466 26.225 27.740 -0.082 0.000 2.148 537 C HN 0.805 nan 8.230 nan 0.000 0.472 538 L N 2.056 123.104 121.223 -0.293 0.000 2.081 538 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 538 L C 2.434 179.222 176.870 -0.137 0.000 1.080 538 L CA 1.859 56.525 54.840 -0.290 0.000 0.754 538 L CB -0.282 41.658 42.059 -0.198 0.000 0.893 538 L HN 0.730 nan 8.230 nan 0.000 0.433 539 D N -0.578 119.773 120.400 -0.083 0.000 2.182 539 D HA -0.233 4.407 4.640 -0.001 0.000 0.201 539 D C 1.759 178.068 176.300 0.014 0.000 0.986 539 D CA 1.175 55.162 54.000 -0.021 0.000 0.847 539 D CB -0.363 40.429 40.800 -0.015 0.000 0.942 539 D HN 0.314 nan 8.370 nan 0.000 0.467 540 E N 0.187 120.398 120.200 0.018 0.000 2.072 540 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 540 E C 2.167 178.884 176.600 0.195 0.000 0.985 540 E CA 0.876 57.334 56.400 0.096 0.000 0.801 540 E CB -0.441 29.334 29.700 0.124 0.000 0.750 540 E HN 0.682 nan 8.360 nan 0.000 0.452 541 H N -0.012 119.067 119.070 0.015 0.000 2.457 541 H HA 0.029 4.584 4.556 -0.001 0.000 0.294 541 H C 2.254 177.586 175.328 0.007 0.000 1.064 541 H CA 0.296 56.359 56.048 0.025 0.000 1.330 541 H CB 0.217 30.029 29.762 0.085 0.000 1.395 541 H HN 0.104 nan 8.280 nan 0.000 0.541 542 I N 0.764 121.410 120.570 0.127 0.000 2.233 542 I HA -0.196 3.973 4.170 -0.001 0.000 0.243 542 I C 2.824 178.966 176.117 0.043 0.000 1.093 542 I CA 0.796 62.133 61.300 0.063 0.000 1.380 542 I CB -0.270 37.755 38.000 0.043 0.000 1.067 542 I HN 0.232 nan 8.210 nan 0.000 0.413 543 A N 0.883 123.730 122.820 0.046 0.000 1.933 543 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 543 A C 2.389 179.986 177.584 0.021 0.000 1.175 543 A CA 1.496 53.552 52.037 0.031 0.000 0.628 543 A CB -0.556 18.463 19.000 0.031 0.000 0.814 543 A HN 0.310 nan 8.150 nan 0.000 0.444 544 R N -0.627 119.889 120.500 0.027 0.000 2.066 544 R HA 0.010 4.349 4.340 -0.001 0.000 0.232 544 R C 1.985 178.274 176.300 -0.018 0.000 1.131 544 R CA 1.579 57.679 56.100 0.001 0.000 0.955 544 R CB -0.428 29.864 30.300 -0.013 0.000 0.851 544 R HN 0.568 nan 8.270 nan 0.000 0.432 545 I N 0.390 120.947 120.570 -0.021 0.000 2.394 545 I HA -0.240 3.930 4.170 -0.001 0.000 0.251 545 I C 2.071 178.168 176.117 -0.033 0.000 1.136 545 I CA 0.987 62.262 61.300 -0.042 0.000 1.425 545 I CB -0.191 37.779 38.000 -0.051 0.000 1.079 545 I HN 0.106 nan 8.210 nan 0.000 0.425 546 S N 1.116 116.806 115.700 -0.017 0.000 2.344 546 S HA -0.200 4.270 4.470 -0.001 0.000 0.217 546 S C 2.362 176.956 174.600 -0.011 0.000 1.033 546 S CA 1.445 59.637 58.200 -0.014 0.000 1.017 546 S CB -0.548 62.654 63.200 0.003 0.000 0.941 546 S HN 0.537 nan 8.310 nan 0.000 0.430 547 A N 1.466 124.284 122.820 -0.004 0.000 1.927 547 A HA -0.279 4.040 4.320 -0.001 0.000 0.220 547 A C 1.857 179.440 177.584 -0.000 0.000 1.185 547 A CA 2.333 54.370 52.037 -0.000 0.000 0.639 547 A CB -1.128 17.872 19.000 0.001 0.000 0.820 547 A HN 0.583 nan 8.150 nan 0.000 0.451 548 D N -0.417 119.978 120.400 -0.009 0.000 2.087 548 D HA -0.154 4.486 4.640 -0.001 0.000 0.192 548 D C 1.769 178.069 176.300 0.001 0.000 0.993 548 D CA 1.780 55.776 54.000 -0.008 0.000 0.828 548 D CB -0.218 40.565 40.800 -0.027 0.000 0.968 548 D HN 0.475 nan 8.370 nan 0.000 0.448 549 I N 0.484 121.045 120.570 -0.016 0.000 2.194 549 I HA -0.300 3.870 4.170 -0.001 0.000 0.246 549 I C 2.412 178.532 176.117 0.005 0.000 1.093 549 I CA 1.193 62.481 61.300 -0.020 0.000 1.355 549 I CB -0.383 37.583 38.000 -0.058 0.000 1.046 549 I HN 0.117 nan 8.210 nan 0.000 0.413 550 A N 0.475 123.300 122.820 0.008 0.000 1.968 550 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 550 A C 2.300 179.912 177.584 0.047 0.000 1.169 550 A CA 1.612 53.663 52.037 0.023 0.000 0.638 550 A CB -0.930 18.076 19.000 0.011 0.000 0.812 550 A HN 0.472 nan 8.150 nan 0.000 0.446 551 G N -1.952 106.876 108.800 0.048 0.000 2.939 551 G HA2 0.380 4.340 3.960 -0.001 0.000 0.210 551 G HA3 0.380 4.340 3.960 -0.001 0.000 0.210 551 G C 1.019 175.991 174.900 0.120 0.000 1.160 551 G CA 0.494 45.635 45.100 0.068 0.000 0.770 551 G HN 1.602 nan 8.290 nan 0.000 0.543 552 G N -0.440 108.429 108.800 0.114 0.000 2.204 552 G HA2 0.070 4.030 3.960 -0.001 0.000 0.244 552 G HA3 0.070 4.030 3.960 -0.001 0.000 0.244 552 G C 0.815 175.771 174.900 0.092 0.000 1.062 552 G CA 0.248 45.434 45.100 0.143 0.000 0.798 552 G HN 0.888 nan 8.290 nan 0.000 0.496 553 G N -0.776 108.056 108.800 0.054 0.000 2.447 553 G HA2 0.463 4.422 3.960 -0.001 0.000 0.269 553 G HA3 0.463 4.422 3.960 -0.001 0.000 0.269 553 G C 1.383 176.296 174.900 0.020 0.000 1.455 553 G CA 0.171 45.288 45.100 0.029 0.000 1.061 553 G HN 0.502 nan 8.290 nan 0.000 0.545 554 L N -0.293 120.931 121.223 0.002 0.000 2.042 554 L HA -0.055 4.285 4.340 -0.001 0.000 0.210 554 L C 2.887 179.757 176.870 0.000 0.000 1.076 554 L CA 1.163 56.001 54.840 -0.003 0.000 0.749 554 L CB -0.764 41.282 42.059 -0.022 0.000 0.893 554 L HN 0.456 nan 8.230 nan 0.000 0.432 555 I N -1.381 119.181 120.570 -0.015 0.000 2.163 555 I HA -0.306 3.863 4.170 -0.001 0.000 0.243 555 I C 2.348 178.469 176.117 0.007 0.000 1.085 555 I CA 1.040 62.329 61.300 -0.018 0.000 1.347 555 I CB -0.384 37.590 38.000 -0.044 0.000 1.044 555 I HN 0.049 nan 8.210 nan 0.000 0.408 556 V N 0.268 120.193 119.914 0.018 0.000 2.261 556 V HA -0.308 3.811 4.120 -0.001 0.000 0.246 556 V C 2.390 178.529 176.094 0.076 0.000 1.047 556 V CA 1.851 64.177 62.300 0.043 0.000 1.015 556 V CB -0.850 31.012 31.823 0.066 0.000 0.642 556 V HN 0.465 nan 8.190 nan 0.000 0.446 557 Q N 0.048 119.890 119.800 0.070 0.000 2.197 557 Q HA -0.227 4.112 4.340 -0.001 0.000 0.207 557 Q C 2.312 178.373 176.000 0.101 0.000 0.984 557 Q CA 1.763 57.613 55.803 0.077 0.000 0.869 557 Q CB -0.471 28.295 28.738 0.048 0.000 0.906 557 Q HN 0.696 nan 8.270 nan 0.000 0.426 558 A N 0.588 123.461 122.820 0.089 0.000 2.070 558 A HA -0.090 4.229 4.320 -0.001 0.000 0.220 558 A C 2.019 179.745 177.584 0.237 0.000 1.159 558 A CA 1.440 53.550 52.037 0.121 0.000 0.656 558 A CB -0.253 18.792 19.000 0.075 0.000 0.800 558 A HN 0.325 nan 8.150 nan 0.000 0.453 559 V N -3.007 117.004 119.914 0.162 0.000 3.483 559 V HA 0.196 4.316 4.120 -0.001 0.000 0.301 559 V C 1.523 177.665 176.094 0.080 0.000 1.389 559 V CA 1.030 63.370 62.300 0.066 0.000 1.101 559 V CB -0.085 31.734 31.823 -0.007 0.000 0.971 559 V HN 0.401 nan 8.190 nan 0.000 0.434 560 E N 3.453 123.772 120.200 0.198 0.000 2.086 560 E HA -0.359 3.991 4.350 -0.001 0.000 0.205 560 E C 1.967 178.672 176.600 0.174 0.000 1.027 560 E CA 2.834 59.341 56.400 0.178 0.000 0.830 560 E CB -0.785 29.005 29.700 0.150 0.000 0.751 560 E HN 0.975 nan 8.360 nan 0.000 0.456 561 H N -1.401 117.721 119.070 0.086 0.000 2.518 561 H HA -0.048 4.508 4.556 -0.001 0.000 0.292 561 H C 1.864 177.269 175.328 0.129 0.000 1.068 561 H CA 1.446 57.544 56.048 0.083 0.000 1.275 561 H CB -0.246 29.546 29.762 0.050 0.000 1.375 561 H HN 0.290 nan 8.280 nan 0.000 0.563 562 I N -0.670 119.765 120.570 -0.225 0.000 2.927 562 I HA -0.064 4.105 4.170 -0.001 0.000 0.268 562 I C 2.074 178.336 176.117 0.243 0.000 1.153 562 I CA 0.289 61.574 61.300 -0.024 0.000 1.459 562 I CB -0.230 37.687 38.000 -0.139 0.000 1.149 562 I HN 0.262 nan 8.210 nan 0.000 0.443 563 F N 2.275 122.223 119.950 -0.003 0.000 2.171 563 F HA -0.251 4.275 4.527 -0.001 0.000 0.300 563 F C 2.634 178.452 175.800 0.031 0.000 1.090 563 F CA 1.316 59.315 58.000 -0.003 0.000 1.293 563 F CB 0.277 39.250 39.000 -0.045 0.000 1.013 563 F HN 0.139 nan 8.300 nan 0.000 0.486 564 S N -1.234 114.570 115.700 0.173 0.000 2.489 564 S HA -0.082 4.388 4.470 -0.001 0.000 0.228 564 S C 1.658 176.344 174.600 0.144 0.000 0.995 564 S CA 0.789 59.023 58.200 0.056 0.000 0.934 564 S CB -0.164 63.049 63.200 0.021 0.000 0.771 564 S HN 0.249 nan 8.310 nan 0.000 0.522 565 S N 1.598 117.446 115.700 0.246 0.000 2.447 565 S HA 0.235 4.705 4.470 -0.001 0.000 0.233 565 S C 0.837 175.651 174.600 0.358 0.000 1.006 565 S CA 0.329 58.735 58.200 0.345 0.000 0.957 565 S CB -0.471 63.016 63.200 0.479 0.000 0.773 565 S HN 0.470 nan 8.310 nan 0.000 0.507 566 L N 0.000 121.338 121.223 0.192 0.000 2.949 566 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 566 L CA 0.000 54.809 54.840 -0.052 0.000 0.813 566 L CB 0.000 41.985 42.059 -0.123 0.000 0.961 566 L HN 0.000 nan 8.230 nan 0.000 0.502