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 2ome_1_F DATA FIRST_RESID 33 DATA SEQUENCE RPLVALLDGR DCTVEMPILK DLATVAFCDA QSTQEIHEKV LNEAVGAMMY DATA SEQUENCE HTITLTREDL EKFKALRVIV RIGSGYDNVD IKAAGELGIA VCNIPSAAVE DATA SEQUENCE ETADSTICHI LNLYRRNTWL YQALREGTRV QSVEQIREVA SGAARIRGET DATA SEQUENCE LGLIGFGRTG QAVAVRAKAF GFSVIFYDPY LQDGIERSLG VQRVYTLQDL DATA SEQUENCE LYQSDCVSLH CNLNEHNHHL INDFTIKQMR QGAFLVNAAR GGLVDEKALA DATA SEQUENCE QALKEGRIRG AALDVHESEP FSFAQGPLKD APNLICTPHT AWYSEQASLE DATA SEQUENCE MREAAATEIR RAITGRIPES LRNCVNKEFF 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 33 R HA 0.000 nan 4.340 nan 0.000 0.208 33 R C 0.000 176.307 176.300 0.012 0.000 0.893 33 R CA 0.000 56.106 56.100 0.010 0.000 0.921 33 R CB 0.000 30.305 30.300 0.009 0.000 0.687 34 P HA -0.066 nan 4.420 nan 0.000 0.264 34 P C -0.953 176.358 177.300 0.018 0.000 1.179 34 P CA -0.267 62.842 63.100 0.016 0.000 0.763 34 P CB 0.399 32.106 31.700 0.011 0.000 0.806 35 L N 4.837 126.075 121.223 0.025 0.000 2.275 35 L HA 0.394 4.734 4.340 -0.000 0.000 0.288 35 L C -0.913 175.976 176.870 0.031 0.000 1.046 35 L CA -0.255 54.602 54.840 0.029 0.000 0.805 35 L CB 1.230 43.312 42.059 0.038 0.000 1.193 35 L HN 0.073 nan 8.230 nan 0.000 0.426 36 V N 5.459 125.391 119.914 0.029 0.000 2.444 36 V HA 0.782 4.902 4.120 -0.000 0.000 0.294 36 V C 0.092 176.212 176.094 0.043 0.000 1.022 36 V CA -0.450 61.865 62.300 0.026 0.000 0.850 36 V CB 1.227 33.058 31.823 0.013 0.000 0.992 36 V HN 0.985 nan 8.190 nan 0.000 0.426 37 A N 5.520 128.370 122.820 0.051 0.000 2.304 37 A HA 0.734 5.054 4.320 -0.000 0.000 0.323 37 A C -0.558 177.070 177.584 0.073 0.000 1.195 37 A CA -0.519 51.565 52.037 0.077 0.000 0.826 37 A CB 0.975 20.039 19.000 0.107 0.000 1.184 37 A HN 0.829 nan 8.150 nan 0.000 0.496 38 L N 5.167 126.458 121.223 0.114 0.000 2.268 38 L HA 0.222 4.561 4.340 -0.000 0.000 0.289 38 L C 0.455 177.415 176.870 0.150 0.000 1.064 38 L CA -0.274 54.636 54.840 0.117 0.000 0.824 38 L CB 0.423 42.586 42.059 0.172 0.000 1.202 38 L HN 0.912 nan 8.230 nan 0.000 0.433 39 L N 3.552 124.838 121.223 0.106 0.000 1.988 39 L HA -0.104 4.235 4.340 -0.000 0.000 0.207 39 L C 1.062 178.018 176.870 0.143 0.000 1.071 39 L CA 1.175 56.090 54.840 0.126 0.000 0.744 39 L CB -0.232 41.891 42.059 0.106 0.000 0.893 39 L HN 0.694 nan 8.230 nan 0.000 0.433 40 D N -0.457 120.035 120.400 0.152 0.000 3.035 40 D HA 0.298 4.938 4.640 -0.000 0.000 0.290 40 D C 0.162 176.562 176.300 0.168 0.000 1.360 40 D CA -0.068 54.015 54.000 0.139 0.000 0.862 40 D CB 0.462 41.314 40.800 0.087 0.000 1.078 40 D HN 0.160 nan 8.370 nan 0.000 0.487 41 G N -0.551 108.366 108.800 0.195 0.000 2.690 41 G HA2 0.385 4.345 3.960 -0.000 0.000 0.291 41 G HA3 0.385 4.345 3.960 -0.000 0.000 0.291 41 G C -0.120 174.835 174.900 0.092 0.000 1.403 41 G CA -0.912 44.261 45.100 0.122 0.000 0.864 41 G HN 0.102 nan 8.290 nan 0.000 0.480 42 R N -0.790 119.640 120.500 -0.117 0.000 2.119 42 R HA 0.134 4.474 4.340 -0.000 0.000 0.202 42 R C -0.011 175.753 176.300 -0.893 0.000 1.114 42 R CA -0.033 55.793 56.100 -0.457 0.000 1.089 42 R CB 0.052 30.218 30.300 -0.223 0.000 1.000 42 R HN 0.459 nan 8.270 nan 0.000 0.487 43 D N 0.059 120.211 120.400 -0.415 0.000 2.458 43 D HA -0.040 4.600 4.640 -0.000 0.000 0.243 43 D C -0.699 175.484 176.300 -0.195 0.000 1.146 43 D CA 0.264 54.089 54.000 -0.291 0.000 0.877 43 D CB 1.425 42.150 40.800 -0.125 0.000 1.176 43 D HN 0.281 nan 8.370 nan 0.000 0.461 44 C N 3.139 122.344 119.300 -0.159 0.000 3.486 44 C HA 0.139 4.599 4.460 -0.000 0.000 0.264 44 C C 1.812 176.811 174.990 0.015 0.000 1.756 44 C CA 0.422 59.428 59.018 -0.020 0.000 1.764 44 C CB -1.032 26.742 27.740 0.057 0.000 3.238 44 C HN 0.778 nan 8.230 nan 0.000 0.524 45 T N -2.383 112.170 114.554 -0.001 0.000 3.054 45 T HA 0.017 4.367 4.350 -0.000 0.000 0.259 45 T C 1.550 176.264 174.700 0.024 0.000 1.092 45 T CA 1.032 63.138 62.100 0.011 0.000 1.121 45 T CB -0.136 68.732 68.868 -0.000 0.000 0.912 45 T HN 0.216 nan 8.240 nan 0.000 0.489 46 V N 1.736 121.669 119.914 0.033 0.000 2.488 46 V HA -0.030 4.090 4.120 -0.000 0.000 0.246 46 V C 2.520 178.633 176.094 0.031 0.000 1.046 46 V CA 1.633 63.955 62.300 0.036 0.000 1.053 46 V CB -0.511 31.343 31.823 0.051 0.000 0.679 46 V HN 0.415 nan 8.190 nan 0.000 0.458 47 E N -0.489 119.732 120.200 0.035 0.000 2.230 47 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 47 E C 1.908 178.526 176.600 0.029 0.000 0.987 47 E CA 0.795 57.212 56.400 0.028 0.000 0.841 47 E CB -0.322 29.396 29.700 0.029 0.000 0.783 47 E HN 0.534 nan 8.360 nan 0.000 0.481 48 M N 0.717 120.339 119.600 0.037 0.000 2.099 48 M HA -0.030 4.450 4.480 -0.000 0.000 0.262 48 M C -1.151 175.165 176.300 0.027 0.000 1.067 48 M CA 1.646 56.969 55.300 0.038 0.000 1.124 48 M CB -0.566 32.064 32.600 0.050 0.000 1.353 48 M HN -0.042 nan 8.290 nan 0.000 0.410 49 P HA -0.114 nan 4.420 nan 0.000 0.215 49 P C 1.445 178.753 177.300 0.013 0.000 1.153 49 P CA 1.551 64.662 63.100 0.017 0.000 0.853 49 P CB -0.285 31.424 31.700 0.016 0.000 0.788 50 I N -1.942 118.636 120.570 0.012 0.000 2.493 50 I HA -0.163 4.007 4.170 -0.000 0.000 0.254 50 I C 1.567 177.687 176.117 0.005 0.000 1.160 50 I CA 1.333 62.637 61.300 0.007 0.000 1.445 50 I CB -0.261 37.742 38.000 0.005 0.000 1.086 50 I HN -0.064 nan 8.210 nan 0.000 0.433 51 L N -0.359 120.869 121.223 0.008 0.000 2.858 51 L HA 0.115 4.455 4.340 -0.000 0.000 0.251 51 L C 2.098 178.975 176.870 0.011 0.000 1.149 51 L CA 0.024 54.868 54.840 0.007 0.000 0.955 51 L CB -0.144 41.920 42.059 0.008 0.000 1.289 51 L HN 0.022 nan 8.230 nan 0.000 0.542 52 K N 1.870 122.278 120.400 0.014 0.000 2.052 52 K HA -0.302 4.017 4.320 -0.000 0.000 0.215 52 K C 1.392 177.999 176.600 0.011 0.000 1.053 52 K CA 2.804 59.099 56.287 0.015 0.000 0.934 52 K CB -0.226 32.283 32.500 0.015 0.000 0.717 52 K HN 0.529 nan 8.250 nan 0.000 0.450 53 D N -0.434 119.971 120.400 0.008 0.000 2.312 53 D HA -0.109 4.531 4.640 -0.000 0.000 0.211 53 D C 1.899 178.202 176.300 0.004 0.000 0.964 53 D CA 0.822 54.825 54.000 0.006 0.000 0.877 53 D CB 0.137 40.940 40.800 0.004 0.000 0.924 53 D HN 0.346 nan 8.370 nan 0.000 0.515 54 L N -0.986 120.239 121.223 0.004 0.000 2.653 54 L HA 0.505 4.845 4.340 -0.000 0.000 0.230 54 L C 0.542 177.415 176.870 0.004 0.000 1.055 54 L CA 0.102 54.944 54.840 0.002 0.000 0.880 54 L CB 0.397 42.456 42.059 -0.001 0.000 1.195 54 L HN 0.126 nan 8.230 nan 0.000 0.492 55 A N -0.625 122.199 122.820 0.007 0.000 2.539 55 A HA 0.613 4.933 4.320 -0.000 0.000 0.296 55 A C -0.588 177.004 177.584 0.015 0.000 1.073 55 A CA -0.323 51.720 52.037 0.010 0.000 0.700 55 A CB 1.126 20.131 19.000 0.008 0.000 1.296 55 A HN -0.060 nan 8.150 nan 0.000 0.405 56 T N 1.542 116.105 114.554 0.016 0.000 2.834 56 T HA 0.440 4.790 4.350 -0.000 0.000 0.298 56 T C -0.008 174.709 174.700 0.027 0.000 0.966 56 T CA 0.157 62.269 62.100 0.020 0.000 1.141 56 T CB 0.222 69.099 68.868 0.015 0.000 0.905 56 T HN 0.507 nan 8.240 nan 0.000 0.535 57 V N 2.710 122.647 119.914 0.038 0.000 2.483 57 V HA 0.836 4.956 4.120 -0.000 0.000 0.295 57 V C 0.216 176.355 176.094 0.074 0.000 1.035 57 V CA -0.812 61.521 62.300 0.055 0.000 0.896 57 V CB 1.295 33.155 31.823 0.062 0.000 0.986 57 V HN 1.087 nan 8.190 nan 0.000 0.447 58 A N 4.263 127.133 122.820 0.083 0.000 2.566 58 A HA 1.007 5.327 4.320 -0.000 0.000 0.292 58 A C -1.131 176.546 177.584 0.155 0.000 1.112 58 A CA -0.587 51.491 52.037 0.068 0.000 0.707 58 A CB 1.870 20.856 19.000 -0.022 0.000 1.302 58 A HN 1.027 nan 8.150 nan 0.000 0.409 59 F N -1.455 118.514 119.950 0.030 0.000 2.561 59 F HA 0.647 5.174 4.527 -0.000 0.000 0.321 59 F C 0.244 176.067 175.800 0.040 0.000 1.065 59 F CA -0.854 57.171 58.000 0.042 0.000 0.934 59 F CB 1.268 40.296 39.000 0.047 0.000 1.215 59 F HN 0.364 nan 8.300 nan 0.000 0.471 60 C N -0.202 119.203 119.300 0.175 0.000 2.820 60 C HA 0.184 4.644 4.460 -0.000 0.000 0.323 60 C C 0.582 175.661 174.990 0.149 0.000 1.279 60 C CA 0.459 59.522 59.018 0.075 0.000 1.790 60 C CB -0.839 26.959 27.740 0.097 0.000 2.328 60 C HN 1.085 nan 8.230 nan 0.000 0.579 61 D N 1.228 121.790 120.400 0.271 0.000 2.811 61 D HA -0.160 4.480 4.640 -0.000 0.000 0.231 61 D C 0.138 176.507 176.300 0.115 0.000 1.157 61 D CA 0.943 55.067 54.000 0.206 0.000 0.716 61 D CB -0.873 40.073 40.800 0.244 0.000 1.077 61 D HN 0.618 nan 8.370 nan 0.000 0.428 62 A N 0.119 123.001 122.820 0.104 0.000 2.328 62 A HA 0.497 4.817 4.320 -0.000 0.000 0.284 62 A C 1.090 178.709 177.584 0.057 0.000 1.160 62 A CA -0.310 51.771 52.037 0.073 0.000 0.818 62 A CB 0.910 19.956 19.000 0.076 0.000 1.087 62 A HN 0.140 nan 8.150 nan 0.000 0.504 63 Q N 0.689 120.512 119.800 0.038 0.000 2.354 63 Q HA 0.118 4.458 4.340 -0.000 0.000 0.203 63 Q C 0.226 176.241 176.000 0.025 0.000 0.933 63 Q CA 1.209 57.024 55.803 0.021 0.000 0.901 63 Q CB 0.327 29.073 28.738 0.012 0.000 1.007 63 Q HN 0.843 nan 8.270 nan 0.000 0.495 64 S N -2.844 112.875 115.700 0.032 0.000 2.556 64 S HA 0.338 4.808 4.470 -0.000 0.000 0.271 64 S C 0.455 175.078 174.600 0.039 0.000 1.135 64 S CA -0.692 57.529 58.200 0.033 0.000 0.858 64 S CB 1.440 64.654 63.200 0.023 0.000 1.114 64 S HN -0.014 nan 8.310 nan 0.000 0.468 65 T N 1.210 115.791 114.554 0.045 0.000 2.822 65 T HA -0.184 4.166 4.350 -0.000 0.000 0.270 65 T C 1.682 176.381 174.700 -0.001 0.000 1.064 65 T CA 2.055 64.181 62.100 0.043 0.000 1.131 65 T CB -0.393 68.511 68.868 0.059 0.000 0.858 65 T HN 0.681 nan 8.240 nan 0.000 0.483 66 Q N 1.058 120.856 119.800 -0.003 0.000 2.226 66 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 66 Q C 1.921 177.911 176.000 -0.017 0.000 0.975 66 Q CA 1.347 57.139 55.803 -0.018 0.000 0.866 66 Q CB -0.122 28.610 28.738 -0.010 0.000 0.915 66 Q HN 0.588 nan 8.270 nan 0.000 0.440 67 E N -0.739 119.463 120.200 0.003 0.000 2.481 67 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 67 E C -0.383 176.232 176.600 0.025 0.000 1.047 67 E CA -0.205 56.205 56.400 0.016 0.000 0.867 67 E CB 0.238 29.956 29.700 0.029 0.000 0.858 67 E HN 0.370 nan 8.360 nan 0.000 0.513 68 I N 2.039 122.616 120.570 0.011 0.000 2.452 68 I HA -0.024 4.146 4.170 -0.000 0.000 0.287 68 I C 0.851 176.965 176.117 -0.005 0.000 1.079 68 I CA -0.260 61.053 61.300 0.021 0.000 1.387 68 I CB 0.323 38.330 38.000 0.012 0.000 1.404 68 I HN 0.136 nan 8.210 nan 0.000 0.522 69 H N 5.872 124.913 119.070 -0.049 0.000 2.871 69 H HA -0.062 4.494 4.556 -0.000 0.000 0.355 69 H C 0.976 176.259 175.328 -0.074 0.000 1.092 69 H CA 0.341 56.355 56.048 -0.058 0.000 1.420 69 H CB 1.046 30.775 29.762 -0.055 0.000 1.400 69 H HN 0.736 nan 8.280 nan 0.000 0.604 70 E N 3.781 123.627 120.200 -0.590 0.000 2.171 70 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 70 E C 2.024 178.546 176.600 -0.129 0.000 0.997 70 E CA 1.888 58.078 56.400 -0.350 0.000 0.810 70 E CB 0.016 29.467 29.700 -0.415 0.000 0.738 70 E HN 0.679 nan 8.360 nan 0.000 0.467 71 K N -0.509 119.933 120.400 0.070 0.000 2.057 71 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 71 K C 1.966 178.609 176.600 0.071 0.000 1.049 71 K CA 1.426 57.786 56.287 0.122 0.000 0.931 71 K CB -0.081 32.541 32.500 0.204 0.000 0.714 71 K HN 0.070 nan 8.250 nan 0.000 0.440 72 V N 1.565 121.530 119.914 0.084 0.000 2.343 72 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 72 V C 2.208 178.335 176.094 0.054 0.000 1.051 72 V CA 1.595 63.945 62.300 0.083 0.000 1.036 72 V CB -0.333 31.555 31.823 0.108 0.000 0.654 72 V HN 0.327 nan 8.190 nan 0.000 0.451 73 L N 0.215 121.366 121.223 -0.120 0.000 2.083 73 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 73 L C 2.379 179.186 176.870 -0.104 0.000 1.083 73 L CA 1.484 56.125 54.840 -0.333 0.000 0.752 73 L CB -0.722 41.065 42.059 -0.453 0.000 0.899 73 L HN 0.403 nan 8.230 nan 0.000 0.433 74 N N -0.366 118.304 118.700 -0.050 0.000 2.250 74 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 74 N C 1.560 177.091 175.510 0.036 0.000 1.017 74 N CA 1.132 54.176 53.050 -0.009 0.000 0.866 74 N CB 0.118 38.594 38.487 -0.017 0.000 0.985 74 N HN 0.459 nan 8.380 nan 0.000 0.429 75 E N -0.127 120.105 120.200 0.053 0.000 2.453 75 E HA 0.259 4.609 4.350 -0.000 0.000 0.211 75 E C -0.016 176.631 176.600 0.078 0.000 0.897 75 E CA -0.262 56.173 56.400 0.058 0.000 1.063 75 E CB 0.709 30.435 29.700 0.044 0.000 1.080 75 E HN 0.134 nan 8.360 nan 0.000 0.512 76 A N 1.655 124.543 122.820 0.114 0.000 2.548 76 A HA 0.047 4.367 4.320 -0.000 0.000 0.247 76 A C 1.159 178.800 177.584 0.095 0.000 1.067 76 A CA 0.142 52.249 52.037 0.117 0.000 0.757 76 A CB 0.542 19.648 19.000 0.177 0.000 0.996 76 A HN 0.082 nan 8.150 nan 0.000 0.504 77 V N 2.867 122.812 119.914 0.052 0.000 2.992 77 V HA 0.230 4.350 4.120 -0.000 0.000 0.250 77 V C 1.360 177.452 176.094 -0.004 0.000 1.090 77 V CA 1.803 64.121 62.300 0.029 0.000 1.101 77 V CB 0.093 31.929 31.823 0.021 0.000 0.743 77 V HN 1.061 nan 8.190 nan 0.000 0.468 78 G N -1.057 107.737 108.800 -0.010 0.000 2.620 78 G HA2 0.726 4.686 3.960 -0.000 0.000 0.301 78 G HA3 0.726 4.686 3.960 -0.000 0.000 0.301 78 G C -1.353 173.517 174.900 -0.050 0.000 1.347 78 G CA 0.099 45.173 45.100 -0.045 0.000 0.971 78 G HN 0.397 nan 8.290 nan 0.000 0.488 79 A N 1.460 124.222 122.820 -0.096 0.000 2.414 79 A HA 0.864 5.184 4.320 -0.000 0.000 0.306 79 A C -0.437 177.085 177.584 -0.102 0.000 1.054 79 A CA -0.645 51.336 52.037 -0.094 0.000 0.724 79 A CB 1.464 20.359 19.000 -0.175 0.000 1.267 79 A HN 0.655 nan 8.150 nan 0.000 0.418 80 M N 2.752 122.301 119.600 -0.086 0.000 2.465 80 M HA 0.715 5.194 4.480 -0.000 0.000 0.316 80 M C -0.441 175.763 176.300 -0.159 0.000 1.121 80 M CA -0.246 54.970 55.300 -0.140 0.000 0.934 80 M CB 2.053 34.567 32.600 -0.144 0.000 1.692 80 M HN 0.867 nan 8.290 nan 0.000 0.444 81 M N 0.220 119.678 119.600 -0.237 0.000 2.520 81 M HA 0.593 5.073 4.480 -0.000 0.000 0.280 81 M C -2.005 174.106 176.300 -0.316 0.000 1.232 81 M CA -0.825 54.355 55.300 -0.200 0.000 0.892 81 M CB 1.975 34.533 32.600 -0.070 0.000 1.728 81 M HN 0.587 nan 8.290 nan 0.000 0.475 82 Y N 0.107 120.365 120.300 -0.070 0.000 2.771 82 Y HA 0.363 4.913 4.550 -0.000 0.000 0.389 82 Y C 2.007 177.856 175.900 -0.085 0.000 1.289 82 Y CA 0.338 58.379 58.100 -0.099 0.000 1.485 82 Y CB 0.091 38.462 38.460 -0.148 0.000 1.596 82 Y HN 0.792 nan 8.280 nan 0.000 0.721 83 H N -1.779 117.318 119.070 0.045 0.000 2.575 83 H HA 0.088 4.644 4.556 -0.000 0.000 0.267 83 H C 1.288 176.618 175.328 0.003 0.000 0.966 83 H CA 1.164 57.201 56.048 -0.017 0.000 1.165 83 H CB -0.347 29.354 29.762 -0.102 0.000 1.433 83 H HN 0.639 nan 8.280 nan 0.000 0.544 84 T N -0.975 113.279 114.554 -0.500 0.000 3.129 84 T HA 0.207 4.557 4.350 -0.000 0.000 0.251 84 T C 0.649 175.287 174.700 -0.103 0.000 1.117 84 T CA -0.301 61.585 62.100 -0.357 0.000 1.034 84 T CB -0.320 68.313 68.868 -0.390 0.000 0.968 84 T HN 0.316 nan 8.240 nan 0.000 0.526 85 I N 0.498 121.042 120.570 -0.043 0.000 2.846 85 I HA 0.564 4.734 4.170 -0.000 0.000 0.307 85 I C -1.154 174.981 176.117 0.030 0.000 1.053 85 I CA -0.659 60.647 61.300 0.010 0.000 1.050 85 I CB 2.407 40.426 38.000 0.031 0.000 1.239 85 I HN -0.037 nan 8.210 nan 0.000 0.439 86 T N 6.658 121.237 114.554 0.041 0.000 2.841 86 T HA 0.541 4.891 4.350 -0.000 0.000 0.283 86 T C -0.755 173.977 174.700 0.053 0.000 1.000 86 T CA -0.453 61.674 62.100 0.045 0.000 0.977 86 T CB 1.313 70.206 68.868 0.042 0.000 0.979 86 T HN 0.314 nan 8.240 nan 0.000 0.446 87 L N 4.003 125.256 121.223 0.050 0.000 2.324 87 L HA 0.398 4.738 4.340 -0.000 0.000 0.274 87 L C 1.104 178.002 176.870 0.048 0.000 1.012 87 L CA -0.864 54.012 54.840 0.060 0.000 0.859 87 L CB 1.205 43.291 42.059 0.044 0.000 1.224 87 L HN 0.784 nan 8.230 nan 0.000 0.429 88 T N -1.470 113.113 114.554 0.049 0.000 2.770 88 T HA 0.187 4.537 4.350 -0.000 0.000 0.281 88 T C 1.230 175.954 174.700 0.041 0.000 0.981 88 T CA -0.412 61.709 62.100 0.035 0.000 0.955 88 T CB 1.423 70.306 68.868 0.025 0.000 1.060 88 T HN 0.651 nan 8.240 nan 0.000 0.531 89 R N 0.300 120.817 120.500 0.028 0.000 2.083 89 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 89 R C 2.293 178.616 176.300 0.038 0.000 1.137 89 R CA 1.998 58.115 56.100 0.029 0.000 0.951 89 R CB -0.478 29.832 30.300 0.016 0.000 0.851 89 R HN 0.848 nan 8.270 nan 0.000 0.434 90 E N 0.039 120.258 120.200 0.031 0.000 2.085 90 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 90 E C 1.596 178.225 176.600 0.048 0.000 0.994 90 E CA 1.555 57.973 56.400 0.030 0.000 0.801 90 E CB -0.056 29.655 29.700 0.018 0.000 0.743 90 E HN 0.464 nan 8.360 nan 0.000 0.453 91 D N 0.598 121.038 120.400 0.067 0.000 2.084 91 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 91 D C 2.177 178.604 176.300 0.212 0.000 0.990 91 D CA 0.823 54.890 54.000 0.112 0.000 0.826 91 D CB -0.291 40.587 40.800 0.130 0.000 0.971 91 D HN 0.176 nan 8.370 nan 0.000 0.453 92 L N 0.932 122.269 121.223 0.190 0.000 2.079 92 L HA -0.181 4.158 4.340 -0.000 0.000 0.210 92 L C 2.276 179.282 176.870 0.225 0.000 1.081 92 L CA 1.152 56.126 54.840 0.222 0.000 0.752 92 L CB -0.358 41.753 42.059 0.087 0.000 0.896 92 L HN 0.020 nan 8.230 nan 0.000 0.433 93 E N -0.056 120.220 120.200 0.127 0.000 2.265 93 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 93 E C 1.983 178.624 176.600 0.069 0.000 0.996 93 E CA 0.825 57.275 56.400 0.084 0.000 0.832 93 E CB 0.041 29.767 29.700 0.043 0.000 0.756 93 E HN 0.436 nan 8.360 nan 0.000 0.491 94 K N -0.027 120.403 120.400 0.051 0.000 2.288 94 K HA -0.024 4.296 4.320 -0.000 0.000 0.201 94 K C -0.051 176.457 176.600 -0.154 0.000 1.048 94 K CA 0.362 56.600 56.287 -0.082 0.000 0.956 94 K CB 0.092 32.473 32.500 -0.198 0.000 0.746 94 K HN -0.002 nan 8.250 nan 0.000 0.461 95 F N 1.051 121.001 119.950 -0.001 0.000 2.444 95 F HA 0.122 4.649 4.527 -0.000 0.000 0.360 95 F C 1.453 177.256 175.800 0.004 0.000 1.106 95 F CA -0.179 57.822 58.000 0.003 0.000 1.170 95 F CB 0.920 39.924 39.000 0.007 0.000 1.113 95 F HN -0.098 nan 8.300 nan 0.000 0.521 96 K N 2.064 122.536 120.400 0.121 0.000 2.426 96 K HA 0.506 4.826 4.320 -0.000 0.000 0.193 96 K C 1.187 177.842 176.600 0.091 0.000 1.028 96 K CA 0.980 57.314 56.287 0.079 0.000 1.047 96 K CB 0.003 32.520 32.500 0.029 0.000 0.821 96 K HN 0.765 nan 8.250 nan 0.000 0.513 97 A N -0.627 122.269 122.820 0.127 0.000 2.606 97 A HA 0.437 4.757 4.320 -0.000 0.000 0.230 97 A C 0.281 177.920 177.584 0.093 0.000 1.279 97 A CA -0.238 51.858 52.037 0.097 0.000 1.010 97 A CB 0.171 19.220 19.000 0.080 0.000 1.271 97 A HN 0.331 nan 8.150 nan 0.000 0.584 98 L N 1.059 122.350 121.223 0.114 0.000 2.499 98 L HA 0.238 4.578 4.340 -0.000 0.000 0.273 98 L C 1.190 178.067 176.870 0.012 0.000 1.195 98 L CA 0.571 55.427 54.840 0.027 0.000 0.882 98 L CB 0.320 42.322 42.059 -0.095 0.000 1.133 98 L HN 0.297 nan 8.230 nan 0.000 0.483 99 R N 3.028 123.526 120.500 -0.004 0.000 2.287 99 R HA 0.319 4.659 4.340 -0.000 0.000 0.197 99 R C -0.884 175.405 176.300 -0.018 0.000 0.900 99 R CA 0.164 56.272 56.100 0.013 0.000 1.052 99 R CB 1.049 31.359 30.300 0.016 0.000 1.117 99 R HN 0.461 nan 8.270 nan 0.000 0.568 100 V N 1.344 121.219 119.914 -0.065 0.000 2.932 100 V HA 0.481 4.601 4.120 -0.000 0.000 0.307 100 V C -1.630 174.389 176.094 -0.125 0.000 1.147 100 V CA -0.800 61.441 62.300 -0.098 0.000 0.951 100 V CB 2.467 34.225 31.823 -0.107 0.000 1.031 100 V HN -0.002 nan 8.190 nan 0.000 0.426 101 I N 6.019 126.507 120.570 -0.136 0.000 2.433 101 I HA 0.571 4.741 4.170 -0.000 0.000 0.292 101 I C -0.799 175.237 176.117 -0.135 0.000 1.001 101 I CA -0.940 60.270 61.300 -0.149 0.000 1.119 101 I CB 2.145 40.050 38.000 -0.157 0.000 1.289 101 I HN 0.339 nan 8.210 nan 0.000 0.438 102 V N 6.267 126.102 119.914 -0.132 0.000 2.378 102 V HA 0.408 4.527 4.120 -0.000 0.000 0.288 102 V C 0.132 176.140 176.094 -0.142 0.000 1.016 102 V CA -0.838 61.384 62.300 -0.130 0.000 0.840 102 V CB 1.504 33.254 31.823 -0.123 0.000 0.994 102 V HN 0.571 nan 8.190 nan 0.000 0.431 103 R N 4.441 124.870 120.500 -0.118 0.000 2.296 103 R HA 0.364 4.704 4.340 -0.000 0.000 0.323 103 R C -0.210 176.000 176.300 -0.151 0.000 1.067 103 R CA -0.202 55.830 56.100 -0.114 0.000 0.946 103 R CB 0.665 30.950 30.300 -0.024 0.000 0.991 103 R HN 0.626 nan 8.270 nan 0.000 0.448 104 I N 3.392 123.802 120.570 -0.267 0.000 2.349 104 I HA 0.162 4.332 4.170 -0.000 0.000 0.302 104 I C 1.022 177.035 176.117 -0.175 0.000 1.180 104 I CA 0.527 61.664 61.300 -0.272 0.000 1.405 104 I CB 0.046 37.714 38.000 -0.554 0.000 1.474 104 I HN 0.700 nan 8.210 nan 0.000 0.632 105 G N 3.080 111.820 108.800 -0.101 0.000 2.359 105 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.314 105 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.314 105 G C 0.243 175.134 174.900 -0.014 0.000 1.364 105 G CA -0.123 44.929 45.100 -0.080 0.000 0.978 105 G HN 0.392 nan 8.290 nan 0.000 0.615 106 S N -1.007 114.698 115.700 0.008 0.000 2.425 106 S HA 0.387 4.856 4.470 -0.000 0.000 0.225 106 S C 1.494 176.148 174.600 0.090 0.000 1.024 106 S CA 1.224 59.456 58.200 0.053 0.000 0.951 106 S CB 0.035 63.258 63.200 0.038 0.000 0.796 106 S HN 1.925 nan 8.310 nan 0.000 0.498 107 G N 0.989 109.801 108.800 0.021 0.000 2.432 107 G HA2 0.453 4.413 3.960 -0.000 0.000 0.257 107 G HA3 0.453 4.413 3.960 -0.000 0.000 0.257 107 G C -0.255 174.659 174.900 0.023 0.000 1.238 107 G CA -0.675 44.389 45.100 -0.061 0.000 0.838 107 G HN 0.657 nan 8.290 nan 0.000 0.547 108 Y N -0.835 119.460 120.300 -0.008 0.000 2.742 108 Y HA 0.244 4.794 4.550 -0.000 0.000 0.248 108 Y C 1.189 177.087 175.900 -0.005 0.000 1.132 108 Y CA -0.486 57.606 58.100 -0.014 0.000 1.142 108 Y CB -0.108 38.334 38.460 -0.031 0.000 1.222 108 Y HN 0.513 nan 8.280 nan 0.000 0.575 109 D N 0.599 120.924 120.400 -0.126 0.000 2.263 109 D HA -0.215 4.425 4.640 -0.000 0.000 0.208 109 D C 0.754 177.067 176.300 0.022 0.000 0.971 109 D CA 1.244 55.207 54.000 -0.062 0.000 0.867 109 D CB -0.221 40.535 40.800 -0.074 0.000 0.929 109 D HN 0.569 nan 8.370 nan 0.000 0.492 110 N N 1.004 119.733 118.700 0.049 0.000 2.449 110 N HA -0.027 4.713 4.740 -0.000 0.000 0.191 110 N C -0.151 175.393 175.510 0.056 0.000 1.161 110 N CA -0.053 53.032 53.050 0.057 0.000 0.863 110 N CB 0.316 38.845 38.487 0.070 0.000 0.980 110 N HN 0.064 nan 8.380 nan 0.000 0.458 111 V N 0.813 120.771 119.914 0.073 0.000 2.540 111 V HA 0.135 4.255 4.120 -0.000 0.000 0.302 111 V C -0.362 175.769 176.094 0.061 0.000 1.035 111 V CA -1.085 61.249 62.300 0.057 0.000 0.873 111 V CB 1.832 33.685 31.823 0.050 0.000 0.992 111 V HN 0.016 nan 8.190 nan 0.000 0.428 112 D N 4.160 124.583 120.400 0.037 0.000 2.489 112 D HA 0.072 4.712 4.640 -0.000 0.000 0.237 112 D C 1.351 177.668 176.300 0.028 0.000 1.212 112 D CA -0.106 53.912 54.000 0.031 0.000 1.058 112 D CB 0.474 41.286 40.800 0.020 0.000 1.098 112 D HN 0.645 nan 8.370 nan 0.000 0.509 113 I N 0.564 121.160 120.570 0.043 0.000 2.567 113 I HA -0.144 4.026 4.170 -0.000 0.000 0.257 113 I C 1.998 178.123 176.117 0.015 0.000 1.184 113 I CA 0.798 62.108 61.300 0.018 0.000 1.451 113 I CB -0.007 37.993 38.000 0.001 0.000 1.089 113 I HN 0.062 nan 8.210 nan 0.000 0.441 114 K N 1.733 122.145 120.400 0.020 0.000 2.062 114 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 114 K C 2.291 178.899 176.600 0.012 0.000 1.051 114 K CA 1.225 57.522 56.287 0.016 0.000 0.941 114 K CB -0.178 32.329 32.500 0.012 0.000 0.719 114 K HN 0.432 nan 8.250 nan 0.000 0.440 115 A N 1.241 124.067 122.820 0.011 0.000 1.902 115 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 115 A C 2.348 179.936 177.584 0.007 0.000 1.181 115 A CA 1.876 53.918 52.037 0.009 0.000 0.623 115 A CB -0.964 18.044 19.000 0.013 0.000 0.818 115 A HN 0.474 nan 8.150 nan 0.000 0.443 116 A N -0.375 122.450 122.820 0.008 0.000 1.873 116 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 116 A C 2.496 180.088 177.584 0.013 0.000 1.193 116 A CA 2.313 54.354 52.037 0.007 0.000 0.629 116 A CB -1.606 17.393 19.000 -0.001 0.000 0.826 116 A HN 0.843 nan 8.150 nan 0.000 0.447 117 G N -0.775 108.043 108.800 0.030 0.000 2.440 117 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 117 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 117 G C 1.425 176.274 174.900 -0.084 0.000 1.154 117 G CA 1.088 46.206 45.100 0.030 0.000 0.767 117 G HN 0.679 nan 8.290 nan 0.000 0.552 118 E N -0.091 120.087 120.200 -0.037 0.000 2.153 118 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 118 E C 2.152 178.724 176.600 -0.046 0.000 0.988 118 E CA 0.356 56.732 56.400 -0.039 0.000 0.811 118 E CB -0.131 29.560 29.700 -0.015 0.000 0.746 118 E HN 0.397 nan 8.360 nan 0.000 0.466 119 L N -0.251 120.950 121.223 -0.037 0.000 2.612 119 L HA 0.171 4.511 4.340 -0.000 0.000 0.230 119 L C 1.066 177.915 176.870 -0.034 0.000 1.140 119 L CA 0.182 55.010 54.840 -0.019 0.000 0.896 119 L CB -0.070 41.994 42.059 0.008 0.000 1.065 119 L HN 0.233 nan 8.230 nan 0.000 0.447 120 G N 1.303 110.014 108.800 -0.149 0.000 2.182 120 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 120 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 120 G C 0.011 174.878 174.900 -0.055 0.000 1.042 120 G CA -0.163 44.751 45.100 -0.311 0.000 0.775 120 G HN 0.344 nan 8.290 nan 0.000 0.501 121 I N 0.873 121.478 120.570 0.057 0.000 2.382 121 I HA 0.587 4.757 4.170 -0.000 0.000 0.286 121 I C 0.772 177.024 176.117 0.226 0.000 1.002 121 I CA -0.757 60.627 61.300 0.139 0.000 1.135 121 I CB 1.694 39.700 38.000 0.009 0.000 1.288 121 I HN 0.275 nan 8.210 nan 0.000 0.448 122 A N 6.593 129.504 122.820 0.151 0.000 2.401 122 A HA 0.591 4.911 4.320 -0.000 0.000 0.259 122 A C -0.248 177.273 177.584 -0.105 0.000 1.103 122 A CA -0.194 51.789 52.037 -0.089 0.000 0.789 122 A CB 0.583 19.359 19.000 -0.374 0.000 1.035 122 A HN 0.499 nan 8.150 nan 0.000 0.491 123 V N 2.158 121.993 119.914 -0.132 0.000 2.448 123 V HA 0.399 4.519 4.120 -0.000 0.000 0.295 123 V C -0.238 175.728 176.094 -0.214 0.000 1.025 123 V CA -0.474 61.730 62.300 -0.160 0.000 0.859 123 V CB 1.135 32.866 31.823 -0.153 0.000 0.988 123 V HN 1.067 nan 8.190 nan 0.000 0.431 124 C N 4.677 123.863 119.300 -0.190 0.000 2.614 124 C HA 0.761 5.221 4.460 -0.000 0.000 0.320 124 C C 0.034 174.931 174.990 -0.155 0.000 1.200 124 C CA -0.880 58.026 59.018 -0.186 0.000 1.700 124 C CB 1.698 29.348 27.740 -0.151 0.000 2.275 124 C HN 1.005 nan 8.230 nan 0.000 0.492 125 N N 0.254 118.877 118.700 -0.129 0.000 2.653 125 N HA 0.552 5.292 4.740 -0.000 0.000 0.294 125 N C -1.566 173.917 175.510 -0.044 0.000 1.305 125 N CA -0.748 52.272 53.050 -0.051 0.000 0.827 125 N CB 0.658 39.175 38.487 0.050 0.000 1.415 125 N HN 0.388 nan 8.380 nan 0.000 0.546 126 I N 1.328 121.885 120.570 -0.022 0.000 2.428 126 I HA 0.279 4.449 4.170 -0.000 0.000 0.279 126 I C -1.761 174.360 176.117 0.006 0.000 1.040 126 I CA -2.009 59.280 61.300 -0.017 0.000 1.171 126 I CB 0.889 38.875 38.000 -0.023 0.000 1.312 126 I HN 0.489 nan 8.210 nan 0.000 0.470 127 P HA 0.017 nan 4.420 nan 0.000 0.240 127 P C 0.610 177.919 177.300 0.016 0.000 1.190 127 P CA 0.685 63.798 63.100 0.021 0.000 0.781 127 P CB 0.540 32.249 31.700 0.015 0.000 0.931 128 S N -2.779 112.928 115.700 0.012 0.000 3.093 128 S HA 0.527 4.997 4.470 -0.000 0.000 0.251 128 S C 1.290 175.901 174.600 0.017 0.000 0.905 128 S CA 0.053 58.258 58.200 0.009 0.000 1.124 128 S CB -0.373 62.824 63.200 -0.006 0.000 1.124 128 S HN 0.046 nan 8.310 nan 0.000 0.574 129 A N 1.195 124.036 122.820 0.034 0.000 2.016 129 A HA 0.734 5.054 4.320 -0.000 0.000 0.217 129 A C 1.701 179.326 177.584 0.068 0.000 1.162 129 A CA 0.880 52.946 52.037 0.049 0.000 0.662 129 A CB -0.334 18.705 19.000 0.066 0.000 0.812 129 A HN 1.280 nan 8.150 nan 0.000 0.450 130 A N -0.973 121.900 122.820 0.088 0.000 2.594 130 A HA 0.530 4.850 4.320 -0.000 0.000 0.292 130 A C 1.203 178.839 177.584 0.086 0.000 1.026 130 A CA 0.293 52.402 52.037 0.119 0.000 0.983 130 A CB -0.066 19.083 19.000 0.248 0.000 1.233 130 A HN 0.115 nan 8.150 nan 0.000 0.519 131 V N 0.578 120.517 119.914 0.043 0.000 2.261 131 V HA -0.271 3.848 4.120 -0.000 0.000 0.246 131 V C 2.482 178.579 176.094 0.006 0.000 1.047 131 V CA 2.740 65.050 62.300 0.016 0.000 1.015 131 V CB -0.620 31.193 31.823 -0.017 0.000 0.642 131 V HN 0.722 nan 8.190 nan 0.000 0.446 132 E N 0.223 120.421 120.200 -0.003 0.000 2.107 132 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 132 E C 1.998 178.593 176.600 -0.008 0.000 0.982 132 E CA 0.992 57.384 56.400 -0.013 0.000 0.809 132 E CB -0.439 29.249 29.700 -0.019 0.000 0.756 132 E HN 0.564 nan 8.360 nan 0.000 0.459 133 E N 0.383 120.583 120.200 -0.001 0.000 2.097 133 E HA -0.170 4.179 4.350 -0.000 0.000 0.196 133 E C 2.036 178.646 176.600 0.016 0.000 1.000 133 E CA 1.889 58.284 56.400 -0.008 0.000 0.804 133 E CB -0.523 29.173 29.700 -0.007 0.000 0.740 133 E HN 0.226 nan 8.360 nan 0.000 0.454 134 T N -0.167 114.418 114.554 0.052 0.000 2.857 134 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 134 T C 1.826 176.564 174.700 0.062 0.000 1.048 134 T CA 1.050 63.196 62.100 0.078 0.000 1.139 134 T CB -0.232 68.701 68.868 0.108 0.000 0.874 134 T HN 0.279 nan 8.240 nan 0.000 0.455 135 A N 1.959 124.794 122.820 0.026 0.000 1.898 135 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 135 A C 2.075 179.660 177.584 0.003 0.000 1.181 135 A CA 1.655 53.693 52.037 0.002 0.000 0.620 135 A CB -0.625 18.349 19.000 -0.042 0.000 0.819 135 A HN 0.321 nan 8.150 nan 0.000 0.442 136 D N -0.199 120.197 120.400 -0.006 0.000 2.104 136 D HA -0.092 4.547 4.640 -0.000 0.000 0.194 136 D C 2.229 178.505 176.300 -0.040 0.000 0.994 136 D CA 1.648 55.637 54.000 -0.019 0.000 0.830 136 D CB -0.441 40.343 40.800 -0.027 0.000 0.959 136 D HN 0.341 nan 8.370 nan 0.000 0.452 137 S N -0.461 115.220 115.700 -0.033 0.000 2.383 137 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 137 S C 2.031 176.624 174.600 -0.011 0.000 1.026 137 S CA 1.232 59.392 58.200 -0.067 0.000 0.981 137 S CB -0.201 62.985 63.200 -0.024 0.000 0.818 137 S HN 0.305 nan 8.310 nan 0.000 0.472 138 T N 2.775 117.377 114.554 0.080 0.000 2.708 138 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 138 T C 1.743 176.470 174.700 0.045 0.000 1.037 138 T CA 0.920 63.102 62.100 0.137 0.000 1.146 138 T CB -0.264 68.713 68.868 0.183 0.000 0.865 138 T HN 0.239 nan 8.240 nan 0.000 0.435 139 I N 1.170 121.728 120.570 -0.020 0.000 2.208 139 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 139 I C 2.912 178.957 176.117 -0.120 0.000 1.097 139 I CA 0.869 62.114 61.300 -0.093 0.000 1.363 139 I CB -1.410 36.534 38.000 -0.093 0.000 1.051 139 I HN 0.394 nan 8.210 nan 0.000 0.413 140 C N 0.972 120.196 119.300 -0.127 0.000 2.393 140 C HA -0.246 4.214 4.460 -0.000 0.000 0.276 140 C C 2.938 177.797 174.990 -0.218 0.000 1.215 140 C CA 1.112 60.017 59.018 -0.189 0.000 1.743 140 C CB -1.234 26.356 27.740 -0.251 0.000 2.044 140 C HN 0.470 nan 8.230 nan 0.000 0.464 141 H N 0.060 119.045 119.070 -0.143 0.000 2.319 141 H HA -0.094 4.461 4.556 -0.000 0.000 0.299 141 H C 2.185 177.387 175.328 -0.211 0.000 1.092 141 H CA 2.227 58.164 56.048 -0.183 0.000 1.302 141 H CB -0.581 29.086 29.762 -0.158 0.000 1.373 141 H HN 0.524 nan 8.280 nan 0.000 0.497 142 I N 0.599 121.152 120.570 -0.027 0.000 2.142 142 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 142 I C 2.596 178.716 176.117 0.005 0.000 1.078 142 I CA 0.989 62.270 61.300 -0.032 0.000 1.343 142 I CB -0.296 37.693 38.000 -0.019 0.000 1.046 142 I HN 0.111 nan 8.210 nan 0.000 0.405 143 L N 0.349 121.539 121.223 -0.055 0.000 2.131 143 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 143 L C 2.270 179.092 176.870 -0.080 0.000 1.092 143 L CA 1.047 55.860 54.840 -0.045 0.000 0.759 143 L CB -0.779 41.208 42.059 -0.119 0.000 0.903 143 L HN 0.384 nan 8.230 nan 0.000 0.435 144 N N 0.283 118.874 118.700 -0.181 0.000 2.166 144 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 144 N C 1.945 177.206 175.510 -0.416 0.000 1.019 144 N CA 1.234 54.108 53.050 -0.295 0.000 0.856 144 N CB -0.099 38.167 38.487 -0.367 0.000 0.993 144 N HN 0.354 nan 8.380 nan 0.000 0.426 145 L N -0.553 120.379 121.223 -0.485 0.000 2.056 145 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 145 L C 2.049 178.592 176.870 -0.546 0.000 1.078 145 L CA 1.114 55.497 54.840 -0.761 0.000 0.749 145 L CB -0.526 40.717 42.059 -1.361 0.000 0.901 145 L HN 0.146 nan 8.230 nan 0.000 0.433 146 Y N -0.242 119.895 120.300 -0.272 0.000 2.314 146 Y HA -0.060 4.490 4.550 -0.000 0.000 0.293 146 Y C 2.474 178.415 175.900 0.069 0.000 1.129 146 Y CA 0.843 58.969 58.100 0.044 0.000 1.201 146 Y CB 0.196 38.708 38.460 0.087 0.000 0.999 146 Y HN 0.032 nan 8.280 nan 0.000 0.541 147 R N -0.230 120.356 120.500 0.143 0.000 2.365 147 R HA 0.205 4.545 4.340 -0.000 0.000 0.223 147 R C 0.259 176.608 176.300 0.081 0.000 0.899 147 R CA 0.158 56.322 56.100 0.107 0.000 1.059 147 R CB 0.269 30.608 30.300 0.065 0.000 1.086 147 R HN 0.298 nan 8.270 nan 0.000 0.522 148 R N 0.254 120.777 120.500 0.038 0.000 3.770 148 R HA -0.208 4.132 4.340 -0.000 0.000 0.305 148 R C 0.622 176.941 176.300 0.031 0.000 1.184 148 R CA 0.774 56.930 56.100 0.093 0.000 0.823 148 R CB -2.376 28.112 30.300 0.313 0.000 1.285 148 R HN 0.390 nan 8.270 nan 0.000 0.499 149 N N 0.501 119.167 118.700 -0.056 0.000 2.061 149 N HA -0.165 4.575 4.740 -0.000 0.000 0.193 149 N C 1.142 176.629 175.510 -0.039 0.000 1.030 149 N CA 2.320 55.346 53.050 -0.041 0.000 0.856 149 N CB -0.045 38.391 38.487 -0.085 0.000 1.023 149 N HN 0.352 nan 8.380 nan 0.000 0.424 150 T N 0.148 114.598 114.554 -0.173 0.000 2.777 150 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 150 T C 1.447 176.174 174.700 0.045 0.000 1.040 150 T CA 0.730 62.746 62.100 -0.138 0.000 1.141 150 T CB -0.213 68.466 68.868 -0.315 0.000 0.868 150 T HN 0.396 nan 8.240 nan 0.000 0.444 151 W N 1.293 122.633 121.300 0.066 0.000 2.425 151 W HA 0.209 4.869 4.660 -0.000 0.000 0.277 151 W C 1.948 178.501 176.519 0.058 0.000 1.231 151 W CA -0.046 57.330 57.345 0.052 0.000 1.248 151 W CB -1.193 28.284 29.460 0.028 0.000 1.117 151 W HN 0.300 nan 8.180 nan 0.000 0.568 152 L N -1.042 120.342 121.223 0.269 0.000 2.072 152 L HA -0.248 4.092 4.340 -0.000 0.000 0.205 152 L C 2.476 179.451 176.870 0.175 0.000 1.079 152 L CA 1.393 56.343 54.840 0.184 0.000 0.752 152 L CB -1.196 40.950 42.059 0.145 0.000 0.906 152 L HN -0.119 nan 8.230 nan 0.000 0.436 153 Y N 0.733 121.067 120.300 0.057 0.000 2.165 153 Y HA -0.345 4.205 4.550 -0.000 0.000 0.286 153 Y C 2.760 178.689 175.900 0.049 0.000 1.155 153 Y CA 1.943 60.065 58.100 0.037 0.000 1.164 153 Y CB -0.253 38.216 38.460 0.015 0.000 0.978 153 Y HN 0.171 nan 8.280 nan 0.000 0.513 154 Q N -0.256 119.607 119.800 0.105 0.000 2.084 154 Q HA -0.189 4.150 4.340 -0.000 0.000 0.202 154 Q C 2.421 178.406 176.000 -0.025 0.000 0.978 154 Q CA 1.467 57.275 55.803 0.008 0.000 0.844 154 Q CB -0.366 28.460 28.738 0.147 0.000 0.898 154 Q HN 0.616 nan 8.270 nan 0.000 0.426 155 A N 0.578 123.418 122.820 0.035 0.000 1.940 155 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 155 A C 2.008 179.577 177.584 -0.025 0.000 1.176 155 A CA 1.164 53.208 52.037 0.012 0.000 0.631 155 A CB -0.638 18.386 19.000 0.041 0.000 0.814 155 A HN 0.418 nan 8.150 nan 0.000 0.446 156 L N -1.376 119.821 121.223 -0.043 0.000 2.072 156 L HA -0.127 4.212 4.340 -0.000 0.000 0.205 156 L C 2.880 179.678 176.870 -0.120 0.000 1.079 156 L CA 0.937 55.737 54.840 -0.066 0.000 0.752 156 L CB -0.397 41.630 42.059 -0.053 0.000 0.906 156 L HN 0.290 nan 8.230 nan 0.000 0.436 157 R N 0.401 120.770 120.500 -0.218 0.000 2.091 157 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 157 R C 1.930 178.160 176.300 -0.117 0.000 1.136 157 R CA 1.427 57.395 56.100 -0.220 0.000 0.959 157 R CB -0.399 29.709 30.300 -0.320 0.000 0.856 157 R HN 0.497 nan 8.270 nan 0.000 0.437 158 E N -1.035 119.112 120.200 -0.088 0.000 2.478 158 E HA -0.021 4.329 4.350 -0.000 0.000 0.198 158 E C 0.729 177.303 176.600 -0.043 0.000 1.046 158 E CA 0.544 56.911 56.400 -0.054 0.000 0.870 158 E CB 0.150 29.825 29.700 -0.041 0.000 0.818 158 E HN 0.570 nan 8.360 nan 0.000 0.527 159 G N 1.339 110.112 108.800 -0.045 0.000 2.131 159 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.201 159 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.201 159 G C 0.171 175.058 174.900 -0.022 0.000 1.000 159 G CA 0.029 45.110 45.100 -0.032 0.000 0.680 159 G HN 0.180 nan 8.290 nan 0.000 0.514 160 T N 1.051 115.593 114.554 -0.020 0.000 2.834 160 T HA 0.562 4.912 4.350 -0.000 0.000 0.298 160 T C 0.784 175.481 174.700 -0.005 0.000 0.966 160 T CA 0.755 62.849 62.100 -0.010 0.000 1.141 160 T CB 0.933 69.798 68.868 -0.005 0.000 0.905 160 T HN 1.143 nan 8.240 nan 0.000 0.535 161 R N 2.390 122.889 120.500 -0.003 0.000 2.204 161 R HA 0.527 4.867 4.340 -0.000 0.000 0.341 161 R C -0.305 175.998 176.300 0.005 0.000 1.035 161 R CA -0.722 55.379 56.100 0.000 0.000 0.887 161 R CB -0.217 30.083 30.300 -0.001 0.000 1.114 161 R HN 0.654 nan 8.270 nan 0.000 0.473 162 V N 3.312 123.232 119.914 0.009 0.000 2.247 162 V HA 0.146 4.266 4.120 -0.000 0.000 0.262 162 V C 0.773 176.874 176.094 0.012 0.000 1.096 162 V CA -0.446 61.861 62.300 0.013 0.000 0.895 162 V CB 0.871 32.706 31.823 0.019 0.000 1.141 162 V HN 0.945 nan 8.190 nan 0.000 0.478 163 Q N 2.110 121.915 119.800 0.009 0.000 2.159 163 Q HA 0.072 4.412 4.340 -0.000 0.000 0.194 163 Q C 1.432 177.438 176.000 0.009 0.000 0.968 163 Q CA 1.085 56.893 55.803 0.009 0.000 0.837 163 Q CB 0.625 29.366 28.738 0.006 0.000 0.920 163 Q HN 0.776 nan 8.270 nan 0.000 0.485 164 S N -0.899 114.806 115.700 0.009 0.000 2.652 164 S HA 0.218 4.688 4.470 -0.000 0.000 0.270 164 S C 1.319 175.926 174.600 0.011 0.000 1.243 164 S CA -0.507 57.698 58.200 0.009 0.000 0.999 164 S CB 1.358 64.562 63.200 0.007 0.000 0.973 164 S HN 0.038 nan 8.310 nan 0.000 0.544 165 V N 1.580 121.501 119.914 0.011 0.000 2.515 165 V HA -0.096 4.023 4.120 -0.000 0.000 0.250 165 V C 2.534 178.637 176.094 0.014 0.000 1.058 165 V CA 2.113 64.421 62.300 0.013 0.000 1.064 165 V CB -1.288 30.542 31.823 0.012 0.000 0.675 165 V HN 0.867 nan 8.190 nan 0.000 0.461 166 E N -0.018 120.189 120.200 0.011 0.000 2.077 166 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 166 E C 2.275 178.882 176.600 0.012 0.000 0.989 166 E CA 1.343 57.749 56.400 0.010 0.000 0.800 166 E CB -0.290 29.414 29.700 0.007 0.000 0.746 166 E HN 0.611 nan 8.360 nan 0.000 0.452 167 Q N -0.298 119.509 119.800 0.011 0.000 2.170 167 Q HA -0.102 4.237 4.340 -0.000 0.000 0.203 167 Q C 2.064 178.075 176.000 0.018 0.000 0.976 167 Q CA 0.933 56.743 55.803 0.012 0.000 0.858 167 Q CB -0.050 28.694 28.738 0.010 0.000 0.907 167 Q HN 0.341 nan 8.270 nan 0.000 0.433 168 I N 0.070 120.652 120.570 0.021 0.000 2.202 168 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 168 I C 2.194 178.330 176.117 0.032 0.000 1.091 168 I CA 1.059 62.375 61.300 0.028 0.000 1.368 168 I CB -0.178 37.838 38.000 0.028 0.000 1.058 168 I HN 0.131 nan 8.210 nan 0.000 0.410 169 R N 0.342 120.858 120.500 0.027 0.000 2.096 169 R HA -0.215 4.124 4.340 -0.000 0.000 0.235 169 R C 2.168 178.485 176.300 0.028 0.000 1.127 169 R CA 1.457 57.574 56.100 0.029 0.000 0.968 169 R CB -0.388 29.926 30.300 0.023 0.000 0.861 169 R HN 0.306 nan 8.270 nan 0.000 0.440 170 E N 1.101 121.314 120.200 0.021 0.000 2.028 170 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 170 E C 1.908 178.520 176.600 0.020 0.000 0.988 170 E CA 1.356 57.766 56.400 0.015 0.000 0.799 170 E CB -0.181 29.524 29.700 0.009 0.000 0.755 170 E HN 0.040 nan 8.360 nan 0.000 0.447 171 V N 0.706 120.635 119.914 0.026 0.000 2.515 171 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 171 V C 2.058 178.186 176.094 0.057 0.000 1.058 171 V CA 1.656 63.977 62.300 0.034 0.000 1.064 171 V CB -0.659 31.185 31.823 0.036 0.000 0.675 171 V HN 0.423 nan 8.190 nan 0.000 0.461 172 A N -0.527 122.331 122.820 0.063 0.000 2.337 172 A HA 0.213 4.533 4.320 -0.000 0.000 0.227 172 A C 1.235 178.871 177.584 0.087 0.000 1.259 172 A CA 0.322 52.412 52.037 0.088 0.000 0.870 172 A CB -0.255 18.795 19.000 0.083 0.000 0.927 172 A HN 0.364 nan 8.150 nan 0.000 0.497 173 S N -0.333 115.404 115.700 0.062 0.000 2.573 173 S HA 0.343 4.813 4.470 -0.000 0.000 0.297 173 S C 1.510 176.155 174.600 0.075 0.000 1.280 173 S CA 1.304 59.535 58.200 0.052 0.000 1.061 173 S CB 0.029 63.244 63.200 0.024 0.000 0.812 173 S HN 1.883 nan 8.310 nan 0.000 0.500 174 G N 2.738 111.587 108.800 0.080 0.000 2.217 174 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.246 174 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.246 174 G C 0.289 175.293 174.900 0.173 0.000 0.990 174 G CA 0.051 45.218 45.100 0.111 0.000 0.627 174 G HN 1.595 nan 8.290 nan 0.000 0.522 175 A N 0.303 123.222 122.820 0.164 0.000 2.524 175 A HA 0.745 5.065 4.320 -0.000 0.000 0.250 175 A C 0.742 178.436 177.584 0.183 0.000 1.078 175 A CA 1.470 53.619 52.037 0.186 0.000 0.761 175 A CB 0.332 19.418 19.000 0.144 0.000 1.012 175 A HN 2.134 nan 8.150 nan 0.000 0.500 176 A N 2.783 125.758 122.820 0.259 0.000 2.380 176 A HA 0.711 5.030 4.320 -0.000 0.000 0.315 176 A C 0.239 177.946 177.584 0.205 0.000 1.101 176 A CA -0.828 51.365 52.037 0.260 0.000 0.771 176 A CB 0.721 19.950 19.000 0.382 0.000 1.287 176 A HN 0.997 nan 8.150 nan 0.000 0.436 177 R N 2.009 122.576 120.500 0.111 0.000 2.316 177 R HA 0.344 4.684 4.340 -0.000 0.000 0.314 177 R C -0.031 176.230 176.300 -0.066 0.000 1.069 177 R CA -0.148 55.964 56.100 0.021 0.000 0.959 177 R CB 0.047 30.352 30.300 0.008 0.000 0.987 177 R HN 0.735 nan 8.270 nan 0.000 0.446 178 I N 2.929 123.370 120.570 -0.214 0.000 2.333 178 I HA -0.099 4.071 4.170 -0.000 0.000 0.246 178 I C 1.177 177.009 176.117 -0.474 0.000 1.106 178 I CA 0.372 61.340 61.300 -0.554 0.000 1.411 178 I CB -0.158 37.387 38.000 -0.758 0.000 1.082 178 I HN 0.599 nan 8.210 nan 0.000 0.420 179 R N 1.492 121.822 120.500 -0.283 0.000 2.485 179 R HA 0.028 4.368 4.340 -0.000 0.000 0.304 179 R C 0.916 177.133 176.300 -0.137 0.000 0.934 179 R CA 1.318 57.301 56.100 -0.194 0.000 1.102 179 R CB -0.012 30.223 30.300 -0.109 0.000 0.906 179 R HN 0.509 nan 8.270 nan 0.000 0.407 180 G N 2.609 111.344 108.800 -0.108 0.000 2.254 180 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.225 180 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.225 180 G C -0.208 174.687 174.900 -0.009 0.000 1.003 180 G CA 0.017 45.092 45.100 -0.042 0.000 0.622 180 G HN 0.619 nan 8.290 nan 0.000 0.507 181 E N 1.286 121.463 120.200 -0.038 0.000 2.404 181 E HA 0.405 4.755 4.350 -0.000 0.000 0.261 181 E C -0.145 176.594 176.600 0.231 0.000 1.074 181 E CA 0.480 56.940 56.400 0.100 0.000 0.917 181 E CB 0.731 30.526 29.700 0.158 0.000 0.965 181 E HN 0.215 nan 8.360 nan 0.000 0.433 182 T N 2.366 117.061 114.554 0.234 0.000 2.795 182 T HA 0.339 4.689 4.350 -0.000 0.000 0.282 182 T C -0.297 174.540 174.700 0.229 0.000 0.980 182 T CA -0.590 61.637 62.100 0.211 0.000 1.012 182 T CB 0.550 69.479 68.868 0.102 0.000 0.936 182 T HN 0.150 nan 8.240 nan 0.000 0.457 183 L N 3.655 124.973 121.223 0.158 0.000 2.272 183 L HA 0.726 5.065 4.340 -0.000 0.000 0.289 183 L C 0.268 177.156 176.870 0.029 0.000 1.032 183 L CA -0.059 54.772 54.840 -0.015 0.000 0.810 183 L CB 0.818 42.667 42.059 -0.350 0.000 1.205 183 L HN 0.722 nan 8.230 nan 0.000 0.422 184 G N 6.411 115.241 108.800 0.051 0.000 2.384 184 G HA2 0.551 4.511 3.960 -0.000 0.000 0.316 184 G HA3 0.551 4.511 3.960 -0.000 0.000 0.316 184 G C -1.070 173.901 174.900 0.118 0.000 1.160 184 G CA -0.534 44.611 45.100 0.075 0.000 0.936 184 G HN 0.569 nan 8.290 nan 0.000 0.455 185 L N 3.048 124.375 121.223 0.174 0.000 2.282 185 L HA 0.461 4.801 4.340 -0.000 0.000 0.288 185 L C -0.163 176.881 176.870 0.291 0.000 1.033 185 L CA -0.679 54.319 54.840 0.263 0.000 0.807 185 L CB 1.839 44.082 42.059 0.307 0.000 1.209 185 L HN 0.353 nan 8.230 nan 0.000 0.423 186 I N 3.385 124.114 120.570 0.266 0.000 2.306 186 I HA 0.520 4.689 4.170 -0.000 0.000 0.288 186 I C 0.575 176.833 176.117 0.235 0.000 1.036 186 I CA -0.174 61.278 61.300 0.254 0.000 1.221 186 I CB 1.110 39.234 38.000 0.207 0.000 1.385 186 I HN 0.797 nan 8.210 nan 0.000 0.472 187 G N 5.279 114.216 108.800 0.229 0.000 3.421 187 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 187 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 187 G C -0.944 174.097 174.900 0.236 0.000 1.056 187 G CA -0.856 44.364 45.100 0.199 0.000 0.891 187 G HN 0.469 nan 8.290 nan 0.000 0.514 188 F N 4.000 123.899 119.950 -0.086 0.000 2.597 188 F HA 0.574 5.101 4.527 -0.000 0.000 0.336 188 F C 1.016 176.679 175.800 -0.227 0.000 1.432 188 F CA 0.075 57.892 58.000 -0.305 0.000 1.120 188 F CB 0.285 38.760 39.000 -0.874 0.000 1.253 188 F HN 0.744 nan 8.300 nan 0.000 0.546 189 G N 1.148 109.836 108.800 -0.187 0.000 3.022 189 G HA2 0.181 4.141 3.960 -0.000 0.000 0.157 189 G HA3 0.181 4.141 3.960 -0.000 0.000 0.157 189 G C 1.095 175.832 174.900 -0.272 0.000 1.468 189 G CA -0.389 44.603 45.100 -0.181 0.000 1.058 189 G HN 0.288 nan 8.290 nan 0.000 0.581 190 R N -0.537 119.864 120.500 -0.166 0.000 2.073 190 R HA -0.007 4.333 4.340 -0.000 0.000 0.229 190 R C 2.927 179.117 176.300 -0.184 0.000 1.120 190 R CA 1.951 57.953 56.100 -0.163 0.000 0.967 190 R CB -0.598 29.651 30.300 -0.086 0.000 0.862 190 R HN 0.575 nan 8.270 nan 0.000 0.436 191 T N -2.128 112.343 114.554 -0.139 0.000 2.896 191 T HA 0.006 4.356 4.350 -0.000 0.000 0.263 191 T C 2.148 176.633 174.700 -0.359 0.000 1.050 191 T CA 0.958 62.970 62.100 -0.146 0.000 1.140 191 T CB -0.486 68.395 68.868 0.022 0.000 0.877 191 T HN 0.299 nan 8.240 nan 0.000 0.457 192 G N 1.239 109.800 108.800 -0.399 0.000 2.421 192 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 192 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 192 G C 1.653 176.209 174.900 -0.573 0.000 1.171 192 G CA 0.764 45.553 45.100 -0.519 0.000 0.775 192 G HN 0.568 nan 8.290 nan 0.000 0.543 193 Q N 0.123 119.446 119.800 -0.796 0.000 2.084 193 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 193 Q C 3.000 178.771 176.000 -0.382 0.000 0.978 193 Q CA 1.229 56.533 55.803 -0.832 0.000 0.844 193 Q CB -0.266 28.001 28.738 -0.784 0.000 0.898 193 Q HN 0.481 nan 8.270 nan 0.000 0.426 194 A N 0.150 122.791 122.820 -0.299 0.000 1.933 194 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 194 A C 2.287 179.786 177.584 -0.141 0.000 1.175 194 A CA 1.317 53.249 52.037 -0.176 0.000 0.628 194 A CB -0.602 18.315 19.000 -0.138 0.000 0.814 194 A HN 0.221 nan 8.150 nan 0.000 0.444 195 V N -0.230 119.561 119.914 -0.204 0.000 2.307 195 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 195 V C 3.072 179.131 176.094 -0.058 0.000 1.045 195 V CA 1.802 64.014 62.300 -0.147 0.000 1.024 195 V CB -1.279 30.392 31.823 -0.253 0.000 0.651 195 V HN 0.619 nan 8.190 nan 0.000 0.449 196 A N -0.085 122.716 122.820 -0.031 0.000 1.903 196 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 196 A C 2.397 180.028 177.584 0.078 0.000 1.191 196 A CA 2.416 54.505 52.037 0.087 0.000 0.638 196 A CB -0.918 18.221 19.000 0.231 0.000 0.823 196 A HN 0.338 nan 8.150 nan 0.000 0.451 197 V N -0.435 119.495 119.914 0.027 0.000 2.469 197 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 197 V C 2.650 178.787 176.094 0.071 0.000 1.064 197 V CA 2.398 64.720 62.300 0.037 0.000 1.066 197 V CB -0.765 31.056 31.823 -0.005 0.000 0.667 197 V HN 0.552 nan 8.190 nan 0.000 0.461 198 R N -0.446 120.104 120.500 0.084 0.000 2.127 198 R HA 0.123 4.463 4.340 -0.000 0.000 0.217 198 R C 2.373 178.856 176.300 0.306 0.000 1.074 198 R CA 1.066 57.266 56.100 0.165 0.000 0.991 198 R CB -0.419 29.960 30.300 0.132 0.000 0.895 198 R HN 0.496 nan 8.270 nan 0.000 0.450 199 A N 1.738 124.695 122.820 0.228 0.000 1.930 199 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 199 A C 2.398 180.251 177.584 0.447 0.000 1.175 199 A CA 2.042 54.284 52.037 0.342 0.000 0.627 199 A CB -0.687 18.383 19.000 0.115 0.000 0.815 199 A HN 0.345 nan 8.150 nan 0.000 0.443 200 K N -0.318 120.242 120.400 0.266 0.000 2.044 200 K HA -0.012 4.308 4.320 -0.000 0.000 0.210 200 K C 2.319 179.008 176.600 0.149 0.000 1.049 200 K CA 2.238 58.641 56.287 0.192 0.000 0.927 200 K CB -1.529 31.043 32.500 0.121 0.000 0.713 200 K HN 1.028 nan 8.250 nan 0.000 0.443 201 A N -0.340 122.538 122.820 0.096 0.000 2.067 201 A HA 0.213 4.533 4.320 -0.000 0.000 0.219 201 A C 2.083 179.559 177.584 -0.180 0.000 1.158 201 A CA 1.259 53.245 52.037 -0.085 0.000 0.661 201 A CB -0.509 18.365 19.000 -0.209 0.000 0.801 201 A HN 0.531 nan 8.150 nan 0.000 0.452 202 F N -0.774 119.184 119.950 0.013 0.000 2.710 202 F HA 0.295 4.822 4.527 -0.000 0.000 0.298 202 F C 1.891 177.578 175.800 -0.189 0.000 1.137 202 F CA 0.803 58.757 58.000 -0.078 0.000 1.444 202 F CB -0.039 38.925 39.000 -0.060 0.000 1.111 202 F HN 0.356 nan 8.300 nan 0.000 0.580 203 G N -0.293 108.530 108.800 0.039 0.000 2.134 203 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.209 203 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.209 203 G C 0.116 174.968 174.900 -0.079 0.000 0.993 203 G CA -0.744 44.330 45.100 -0.045 0.000 0.669 203 G HN 0.210 nan 8.290 nan 0.000 0.519 204 F N 1.570 121.556 119.950 0.060 0.000 2.471 204 F HA 0.504 5.031 4.527 -0.000 0.000 0.353 204 F C 1.255 177.080 175.800 0.042 0.000 1.113 204 F CA 0.545 58.564 58.000 0.032 0.000 1.262 204 F CB 1.499 40.520 39.000 0.035 0.000 1.146 204 F HN 0.104 nan 8.300 nan 0.000 0.578 205 S N 3.665 119.517 115.700 0.253 0.000 2.430 205 S HA 0.502 4.972 4.470 -0.000 0.000 0.289 205 S C -0.794 173.903 174.600 0.162 0.000 1.143 205 S CA -0.746 57.550 58.200 0.160 0.000 1.067 205 S CB 0.222 63.483 63.200 0.101 0.000 0.964 205 S HN 0.367 nan 8.310 nan 0.000 0.485 206 V N 6.556 126.548 119.914 0.129 0.000 2.427 206 V HA 0.607 4.727 4.120 -0.000 0.000 0.286 206 V C -0.361 175.768 176.094 0.058 0.000 1.034 206 V CA -0.662 61.699 62.300 0.102 0.000 0.893 206 V CB 1.122 33.020 31.823 0.124 0.000 0.982 206 V HN 0.827 nan 8.190 nan 0.000 0.452 207 I N 5.438 126.031 120.570 0.039 0.000 2.647 207 I HA 0.695 4.865 4.170 -0.000 0.000 0.295 207 I C -0.705 175.420 176.117 0.014 0.000 1.078 207 I CA -0.478 60.803 61.300 -0.031 0.000 1.048 207 I CB 1.985 39.968 38.000 -0.028 0.000 1.239 207 I HN 0.644 nan 8.210 nan 0.000 0.421 208 F N 5.879 125.684 119.950 -0.242 0.000 2.626 208 F HA 0.720 5.247 4.527 -0.000 0.000 0.311 208 F C -2.082 173.662 175.800 -0.093 0.000 1.088 208 F CA -1.133 56.737 58.000 -0.217 0.000 0.949 208 F CB 1.414 40.082 39.000 -0.554 0.000 1.322 208 F HN 0.388 nan 8.300 nan 0.000 0.461 209 Y N 2.394 122.743 120.300 0.083 0.000 2.346 209 Y HA 0.599 5.149 4.550 -0.000 0.000 0.332 209 Y C -1.830 174.195 175.900 0.208 0.000 0.985 209 Y CA -1.317 56.785 58.100 0.004 0.000 1.112 209 Y CB 1.419 39.868 38.460 -0.019 0.000 1.170 209 Y HN 0.820 nan 8.280 nan 0.000 0.447 210 D N 8.767 128.976 120.400 -0.318 0.000 2.318 210 D HA 0.252 4.892 4.640 -0.000 0.000 0.233 210 D C -2.521 173.567 176.300 -0.353 0.000 1.348 210 D CA -1.446 52.400 54.000 -0.255 0.000 0.983 210 D CB 2.068 42.989 40.800 0.201 0.000 1.416 210 D HN 0.366 nan 8.370 nan 0.000 0.558 211 P HA 0.028 nan 4.420 nan 0.000 0.245 211 P C 0.655 177.639 177.300 -0.526 0.000 1.212 211 P CA 0.383 63.156 63.100 -0.546 0.000 0.774 211 P CB -0.005 31.335 31.700 -0.599 0.000 0.999 212 Y N -0.920 119.377 120.300 -0.005 0.000 2.481 212 Y HA 0.211 4.761 4.550 -0.000 0.000 0.258 212 Y C 1.574 177.511 175.900 0.062 0.000 1.103 212 Y CA -0.562 57.559 58.100 0.036 0.000 1.287 212 Y CB -0.020 38.460 38.460 0.034 0.000 1.108 212 Y HN -0.208 nan 8.280 nan 0.000 0.529 213 L N 1.677 123.011 121.223 0.186 0.000 2.456 213 L HA 0.025 4.365 4.340 -0.000 0.000 0.272 213 L C 0.518 177.485 176.870 0.162 0.000 1.189 213 L CA 0.151 55.100 54.840 0.181 0.000 0.846 213 L CB 0.637 42.830 42.059 0.223 0.000 1.111 213 L HN 0.242 nan 8.230 nan 0.000 0.475 214 Q N 1.362 121.246 119.800 0.141 0.000 2.417 214 Q HA 0.044 4.384 4.340 -0.000 0.000 0.241 214 Q C -0.892 175.194 176.000 0.143 0.000 1.008 214 Q CA -0.702 55.174 55.803 0.121 0.000 0.901 214 Q CB 0.894 29.689 28.738 0.094 0.000 1.259 214 Q HN 0.454 nan 8.270 nan 0.000 0.489 215 D N 0.720 121.196 120.400 0.127 0.000 2.424 215 D HA 0.309 4.949 4.640 -0.000 0.000 0.244 215 D C 0.647 177.025 176.300 0.129 0.000 1.134 215 D CA 1.507 55.592 54.000 0.141 0.000 0.881 215 D CB 0.931 41.796 40.800 0.108 0.000 1.191 215 D HN 0.765 nan 8.370 nan 0.000 0.445 216 G N 0.230 109.120 108.800 0.151 0.000 2.545 216 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.195 216 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.195 216 G C 1.417 176.409 174.900 0.154 0.000 1.009 216 G CA 0.114 45.292 45.100 0.130 0.000 0.703 216 G HN 0.409 nan 8.290 nan 0.000 0.479 217 I N 3.213 123.899 120.570 0.195 0.000 2.248 217 I HA -0.138 4.032 4.170 -0.000 0.000 0.248 217 I C 2.988 179.269 176.117 0.273 0.000 1.107 217 I CA 2.489 63.919 61.300 0.216 0.000 1.373 217 I CB -1.166 36.982 38.000 0.246 0.000 1.055 217 I HN 0.702 nan 8.210 nan 0.000 0.418 218 E N 1.554 121.951 120.200 0.329 0.000 2.118 218 E HA -0.295 4.055 4.350 -0.000 0.000 0.195 218 E C 2.134 178.839 176.600 0.175 0.000 0.992 218 E CA 1.478 58.056 56.400 0.296 0.000 0.804 218 E CB -0.602 29.200 29.700 0.170 0.000 0.741 218 E HN 0.515 nan 8.360 nan 0.000 0.458 219 R N 0.865 121.448 120.500 0.139 0.000 2.075 219 R HA 0.140 4.480 4.340 -0.000 0.000 0.226 219 R C 2.633 178.989 176.300 0.094 0.000 1.114 219 R CA 1.129 57.288 56.100 0.098 0.000 0.972 219 R CB -0.946 29.403 30.300 0.081 0.000 0.869 219 R HN 0.201 nan 8.270 nan 0.000 0.437 220 S N 1.651 117.412 115.700 0.103 0.000 2.348 220 S HA -0.064 4.406 4.470 -0.000 0.000 0.221 220 S C 1.888 176.541 174.600 0.089 0.000 1.033 220 S CA 1.144 59.394 58.200 0.084 0.000 1.010 220 S CB -0.171 63.075 63.200 0.076 0.000 0.891 220 S HN 0.140 nan 8.310 nan 0.000 0.442 221 L N 1.019 122.319 121.223 0.127 0.000 2.591 221 L HA 0.265 4.605 4.340 -0.000 0.000 0.228 221 L C 1.336 178.284 176.870 0.130 0.000 1.133 221 L CA 0.281 55.200 54.840 0.133 0.000 0.880 221 L CB -0.651 41.525 42.059 0.194 0.000 1.033 221 L HN 0.437 nan 8.230 nan 0.000 0.450 222 G N 0.885 109.753 108.800 0.113 0.000 2.338 222 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.296 222 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.296 222 G C 0.024 174.983 174.900 0.098 0.000 1.040 222 G CA 0.416 45.570 45.100 0.090 0.000 1.004 222 G HN 0.300 nan 8.290 nan 0.000 0.509 223 V N -4.006 115.978 119.914 0.116 0.000 3.102 223 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 223 V C 0.072 176.186 176.094 0.032 0.000 1.135 223 V CA -1.536 60.818 62.300 0.091 0.000 1.022 223 V CB 1.777 33.675 31.823 0.125 0.000 1.056 223 V HN 0.332 nan 8.190 nan 0.000 0.436 224 Q N 1.156 120.933 119.800 -0.039 0.000 2.259 224 Q HA 0.562 4.902 4.340 -0.000 0.000 0.246 224 Q C -0.430 175.328 176.000 -0.402 0.000 0.920 224 Q CA -0.442 55.271 55.803 -0.150 0.000 0.895 224 Q CB 1.794 30.463 28.738 -0.115 0.000 1.220 224 Q HN 0.720 nan 8.270 nan 0.000 0.439 225 R N 1.286 121.442 120.500 -0.572 0.000 2.534 225 R HA 0.549 4.888 4.340 -0.000 0.000 0.301 225 R C -1.024 174.762 176.300 -0.857 0.000 0.961 225 R CA -0.580 54.885 56.100 -1.058 0.000 0.871 225 R CB 1.203 30.840 30.300 -1.105 0.000 1.170 225 R HN 0.532 nan 8.270 nan 0.000 0.446 226 V N 1.761 121.214 119.914 -0.768 0.000 2.994 226 V HA 0.508 4.628 4.120 -0.000 0.000 0.318 226 V C -0.679 175.070 176.094 -0.574 0.000 1.085 226 V CA -0.544 61.408 62.300 -0.579 0.000 0.998 226 V CB 1.591 33.248 31.823 -0.277 0.000 1.063 226 V HN 0.886 nan 8.190 nan 0.000 0.447 227 Y N 0.630 120.907 120.300 -0.039 0.000 2.481 227 Y HA 0.426 4.975 4.550 -0.000 0.000 0.247 227 Y C 1.177 177.070 175.900 -0.011 0.000 1.151 227 Y CA 0.318 58.448 58.100 0.050 0.000 1.238 227 Y CB 0.429 38.892 38.460 0.005 0.000 1.179 227 Y HN 0.949 nan 8.280 nan 0.000 0.524 228 T N -3.574 110.858 114.554 -0.204 0.000 2.903 228 T HA 0.293 4.643 4.350 -0.000 0.000 0.299 228 T C 0.409 174.558 174.700 -0.919 0.000 1.093 228 T CA -0.776 61.022 62.100 -0.503 0.000 1.002 228 T CB 1.630 70.375 68.868 -0.204 0.000 1.127 228 T HN 0.004 nan 8.240 nan 0.000 0.488 229 L N 1.466 122.058 121.223 -1.052 0.000 2.079 229 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 229 L C 2.797 179.509 176.870 -0.263 0.000 1.081 229 L CA 2.060 56.518 54.840 -0.637 0.000 0.752 229 L CB -0.704 41.205 42.059 -0.251 0.000 0.896 229 L HN 0.963 nan 8.230 nan 0.000 0.433 230 Q N -0.745 118.946 119.800 -0.182 0.000 2.061 230 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 230 Q C 1.703 177.672 176.000 -0.052 0.000 0.984 230 Q CA 2.125 57.881 55.803 -0.079 0.000 0.846 230 Q CB -0.123 28.582 28.738 -0.056 0.000 0.902 230 Q HN 0.587 nan 8.270 nan 0.000 0.421 231 D N 0.600 120.943 120.400 -0.096 0.000 2.117 231 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 231 D C 1.982 178.272 176.300 -0.015 0.000 0.987 231 D CA 0.904 54.881 54.000 -0.039 0.000 0.829 231 D CB -0.214 40.541 40.800 -0.075 0.000 0.961 231 D HN 0.294 nan 8.370 nan 0.000 0.460 232 L N 0.396 121.567 121.223 -0.087 0.000 2.056 232 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 232 L C 2.260 179.132 176.870 0.003 0.000 1.078 232 L CA 1.034 55.850 54.840 -0.041 0.000 0.749 232 L CB -0.091 41.951 42.059 -0.030 0.000 0.901 232 L HN -0.028 nan 8.230 nan 0.000 0.433 233 L N -1.920 119.306 121.223 0.005 0.000 2.109 233 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 233 L C 2.452 179.344 176.870 0.037 0.000 1.086 233 L CA 0.958 55.809 54.840 0.018 0.000 0.760 233 L CB -0.767 41.296 42.059 0.008 0.000 0.910 233 L HN 0.276 nan 8.230 nan 0.000 0.437 234 Y N 1.125 121.391 120.300 -0.057 0.000 2.224 234 Y HA -0.260 4.290 4.550 -0.000 0.000 0.289 234 Y C 2.459 178.338 175.900 -0.035 0.000 1.146 234 Y CA 1.667 59.737 58.100 -0.051 0.000 1.182 234 Y CB -0.054 38.374 38.460 -0.055 0.000 0.983 234 Y HN 0.202 nan 8.280 nan 0.000 0.524 235 Q N -0.749 119.047 119.800 -0.006 0.000 2.392 235 Q HA 0.136 4.476 4.340 -0.000 0.000 0.203 235 Q C -0.011 175.958 176.000 -0.052 0.000 0.917 235 Q CA 0.087 55.857 55.803 -0.055 0.000 0.939 235 Q CB 0.463 29.213 28.738 0.020 0.000 1.063 235 Q HN 0.157 nan 8.270 nan 0.000 0.516 236 S N 0.815 116.494 115.700 -0.034 0.000 2.489 236 S HA 0.141 4.610 4.470 -0.000 0.000 0.291 236 S C -0.006 174.601 174.600 0.011 0.000 1.151 236 S CA -0.689 57.518 58.200 0.013 0.000 1.082 236 S CB 1.318 64.539 63.200 0.035 0.000 1.019 236 S HN 0.140 nan 8.310 nan 0.000 0.492 237 D N 0.689 121.134 120.400 0.074 0.000 2.213 237 D HA 0.028 4.668 4.640 -0.000 0.000 0.205 237 D C 0.455 176.845 176.300 0.150 0.000 0.961 237 D CA 0.735 54.792 54.000 0.095 0.000 0.853 237 D CB 0.327 41.247 40.800 0.200 0.000 0.967 237 D HN 0.431 nan 8.370 nan 0.000 0.496 238 C N 1.407 120.842 119.300 0.225 0.000 2.431 238 C HA 0.533 4.993 4.460 -0.000 0.000 0.321 238 C C -0.616 174.451 174.990 0.128 0.000 1.202 238 C CA -0.563 58.604 59.018 0.249 0.000 1.398 238 C CB 0.495 28.495 27.740 0.433 0.000 2.047 238 C HN -0.129 nan 8.230 nan 0.000 0.465 239 V N 5.241 125.216 119.914 0.100 0.000 2.435 239 V HA 0.723 4.843 4.120 -0.000 0.000 0.290 239 V C 0.176 176.296 176.094 0.042 0.000 1.030 239 V CA 0.084 62.423 62.300 0.065 0.000 0.881 239 V CB 1.880 33.732 31.823 0.049 0.000 0.983 239 V HN 0.936 nan 8.190 nan 0.000 0.445 240 S N 5.256 120.986 115.700 0.049 0.000 2.594 240 S HA 0.693 5.163 4.470 -0.000 0.000 0.296 240 S C -0.992 173.568 174.600 -0.068 0.000 1.124 240 S CA -0.592 57.599 58.200 -0.015 0.000 1.011 240 S CB 0.992 64.239 63.200 0.078 0.000 1.016 240 S HN 0.525 nan 8.310 nan 0.000 0.485 241 L N 5.636 126.711 121.223 -0.246 0.000 2.331 241 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 241 L C 0.482 177.010 176.870 -0.571 0.000 1.106 241 L CA -0.125 54.575 54.840 -0.233 0.000 0.824 241 L CB 0.604 42.566 42.059 -0.162 0.000 1.142 241 L HN 0.748 nan 8.230 nan 0.000 0.443 242 H N 1.716 120.799 119.070 0.023 0.000 2.907 242 H HA 0.170 4.726 4.556 -0.000 0.000 0.233 242 H C -0.589 174.748 175.328 0.015 0.000 1.285 242 H CA -0.463 55.589 56.048 0.007 0.000 0.981 242 H CB 0.716 30.482 29.762 0.007 0.000 2.255 242 H HN 0.679 nan 8.280 nan 0.000 0.601 243 C N 1.009 120.357 119.300 0.080 0.000 2.397 243 C HA 0.527 4.987 4.460 -0.000 0.000 0.343 243 C C 0.839 175.840 174.990 0.019 0.000 1.188 243 C CA -1.142 57.919 59.018 0.072 0.000 1.992 243 C CB 1.415 29.215 27.740 0.100 0.000 2.358 243 C HN 0.575 nan 8.230 nan 0.000 0.518 244 N N 1.486 120.183 118.700 -0.006 0.000 2.530 244 N HA 0.243 4.983 4.740 -0.000 0.000 0.273 244 N C -0.889 174.585 175.510 -0.060 0.000 1.173 244 N CA -0.333 52.672 53.050 -0.075 0.000 0.967 244 N CB 1.026 39.424 38.487 -0.149 0.000 1.109 244 N HN 0.799 nan 8.380 nan 0.000 0.453 245 L N 2.147 123.324 121.223 -0.076 0.000 2.360 245 L HA 0.210 4.550 4.340 -0.000 0.000 0.276 245 L C -0.302 176.534 176.870 -0.057 0.000 1.121 245 L CA 0.154 54.978 54.840 -0.028 0.000 0.845 245 L CB -0.331 41.726 42.059 -0.004 0.000 1.143 245 L HN 0.948 nan 8.230 nan 0.000 0.452 246 N N 0.993 119.687 118.700 -0.011 0.000 3.157 246 N HA 0.289 5.029 4.740 -0.000 0.000 0.291 246 N C 0.214 175.698 175.510 -0.043 0.000 1.515 246 N CA -0.633 52.393 53.050 -0.040 0.000 0.807 246 N CB 0.327 38.786 38.487 -0.046 0.000 1.672 246 N HN 0.472 nan 8.380 nan 0.000 0.592 247 E N -1.103 119.010 120.200 -0.147 0.000 2.130 247 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 247 E C 0.240 176.731 176.600 -0.183 0.000 0.998 247 E CA 1.605 57.848 56.400 -0.261 0.000 0.806 247 E CB -0.284 29.065 29.700 -0.584 0.000 0.738 247 E HN 0.581 nan 8.360 nan 0.000 0.459 248 H N -1.238 117.884 119.070 0.086 0.000 2.652 248 H HA 0.081 4.637 4.556 -0.000 0.000 0.274 248 H C 0.356 175.766 175.328 0.138 0.000 1.021 248 H CA 0.169 56.285 56.048 0.113 0.000 1.187 248 H CB 0.381 30.226 29.762 0.138 0.000 1.505 248 H HN 0.125 nan 8.280 nan 0.000 0.530 249 N N -0.409 118.427 118.700 0.227 0.000 2.291 249 N HA -0.071 4.669 4.740 -0.000 0.000 0.244 249 N C -0.370 175.247 175.510 0.178 0.000 1.216 249 N CA -0.342 52.828 53.050 0.200 0.000 0.879 249 N CB -0.427 38.173 38.487 0.188 0.000 1.167 249 N HN 0.332 nan 8.380 nan 0.000 0.515 250 H N 1.726 120.844 119.070 0.080 0.000 2.886 250 H HA 0.011 4.567 4.556 -0.000 0.000 0.329 250 H C -0.192 175.218 175.328 0.137 0.000 1.044 250 H CA 0.794 56.872 56.048 0.050 0.000 1.456 250 H CB 0.169 29.901 29.762 -0.049 0.000 1.464 250 H HN 0.442 nan 8.280 nan 0.000 0.573 251 H N 3.126 121.928 119.070 -0.447 0.000 2.713 251 H HA -0.219 4.337 4.556 -0.000 0.000 0.311 251 H C 1.429 176.725 175.328 -0.053 0.000 1.175 251 H CA 0.134 56.025 56.048 -0.262 0.000 1.143 251 H CB -0.469 29.144 29.762 -0.248 0.000 1.434 251 H HN 0.527 nan 8.280 nan 0.000 0.418 252 L N 0.338 121.620 121.223 0.099 0.000 1.997 252 L HA -0.145 4.195 4.340 -0.000 0.000 0.216 252 L C 1.114 178.035 176.870 0.086 0.000 1.074 252 L CA 1.878 56.784 54.840 0.109 0.000 0.763 252 L CB 0.014 42.139 42.059 0.109 0.000 0.890 252 L HN 0.289 nan 8.230 nan 0.000 0.434 253 I N 1.141 121.734 120.570 0.038 0.000 2.308 253 I HA 0.172 4.342 4.170 -0.000 0.000 0.293 253 I C -0.145 175.953 176.117 -0.031 0.000 1.078 253 I CA 0.044 61.350 61.300 0.009 0.000 1.292 253 I CB -0.779 37.210 38.000 -0.018 0.000 1.423 253 I HN 0.461 nan 8.210 nan 0.000 0.493 254 N N 3.591 122.299 118.700 0.012 0.000 3.229 254 N HA 0.257 4.997 4.740 -0.000 0.000 0.315 254 N C 0.482 176.015 175.510 0.037 0.000 1.520 254 N CA -0.659 52.393 53.050 0.002 0.000 0.769 254 N CB 0.424 38.959 38.487 0.081 0.000 1.766 254 N HN 0.176 nan 8.380 nan 0.000 0.618 255 D N -0.845 119.589 120.400 0.056 0.000 2.158 255 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 255 D C 1.105 177.467 176.300 0.103 0.000 0.995 255 D CA 1.204 55.245 54.000 0.067 0.000 0.846 255 D CB -0.161 40.688 40.800 0.081 0.000 0.941 255 D HN 0.456 nan 8.370 nan 0.000 0.456 256 F N 0.718 120.673 119.950 0.009 0.000 2.149 256 F HA -0.113 4.414 4.527 -0.000 0.000 0.294 256 F C 2.544 178.349 175.800 0.008 0.000 1.095 256 F CA 2.159 60.166 58.000 0.011 0.000 1.276 256 F CB -0.576 38.435 39.000 0.018 0.000 1.023 256 F HN 0.005 nan 8.300 nan 0.000 0.480 257 T N -1.409 113.212 114.554 0.111 0.000 2.985 257 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 257 T C 2.172 176.845 174.700 -0.045 0.000 1.076 257 T CA 1.239 63.357 62.100 0.030 0.000 1.135 257 T CB -0.850 68.090 68.868 0.119 0.000 0.890 257 T HN 0.366 nan 8.240 nan 0.000 0.480 258 I N 1.113 121.662 120.570 -0.035 0.000 2.286 258 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 258 I C 2.578 178.649 176.117 -0.077 0.000 1.115 258 I CA 1.273 62.547 61.300 -0.045 0.000 1.392 258 I CB -0.221 37.761 38.000 -0.031 0.000 1.065 258 I HN 0.254 nan 8.210 nan 0.000 0.418 259 K N 0.430 120.756 120.400 -0.124 0.000 2.442 259 K HA -0.155 4.165 4.320 -0.000 0.000 0.198 259 K C 1.736 178.245 176.600 -0.153 0.000 1.042 259 K CA 0.801 57.000 56.287 -0.147 0.000 0.958 259 K CB -0.022 32.359 32.500 -0.198 0.000 0.766 259 K HN 0.504 nan 8.250 nan 0.000 0.474 260 Q N -0.089 119.614 119.800 -0.162 0.000 2.432 260 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 260 Q C 0.534 176.524 176.000 -0.015 0.000 0.945 260 Q CA 0.228 55.975 55.803 -0.093 0.000 0.924 260 Q CB 0.157 28.831 28.738 -0.106 0.000 1.016 260 Q HN 0.321 nan 8.270 nan 0.000 0.503 261 M N 0.966 120.543 119.600 -0.039 0.000 2.228 261 M HA 0.216 4.696 4.480 -0.000 0.000 0.326 261 M C 0.238 176.500 176.300 -0.062 0.000 1.122 261 M CA -0.139 55.137 55.300 -0.039 0.000 1.161 261 M CB 0.584 33.160 32.600 -0.040 0.000 1.437 261 M HN -0.055 nan 8.290 nan 0.000 0.465 262 R N 1.227 121.668 120.500 -0.098 0.000 2.623 262 R HA 0.046 4.386 4.340 -0.000 0.000 0.271 262 R C 0.045 176.280 176.300 -0.109 0.000 1.043 262 R CA -0.408 55.612 56.100 -0.132 0.000 1.083 262 R CB 0.271 30.474 30.300 -0.162 0.000 0.974 262 R HN 0.483 nan 8.270 nan 0.000 0.436 263 Q N 1.011 120.751 119.800 -0.100 0.000 2.320 263 Q HA -0.061 4.279 4.340 -0.000 0.000 0.311 263 Q C 0.909 176.836 176.000 -0.123 0.000 1.083 263 Q CA 1.499 57.246 55.803 -0.094 0.000 1.001 263 Q CB 0.581 29.273 28.738 -0.078 0.000 1.074 263 Q HN 0.959 nan 8.270 nan 0.000 0.379 264 G N 2.230 110.948 108.800 -0.136 0.000 2.176 264 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 264 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 264 G C 0.313 175.023 174.900 -0.316 0.000 1.024 264 G CA 0.230 45.209 45.100 -0.202 0.000 0.755 264 G HN 0.887 nan 8.290 nan 0.000 0.507 265 A N -0.841 121.837 122.820 -0.236 0.000 2.296 265 A HA 0.802 5.122 4.320 -0.000 0.000 0.264 265 A C 0.066 177.487 177.584 -0.273 0.000 1.097 265 A CA -0.155 51.738 52.037 -0.240 0.000 0.811 265 A CB 0.594 19.534 19.000 -0.100 0.000 1.072 265 A HN 0.633 nan 8.150 nan 0.000 0.495 266 F N -0.779 119.144 119.950 -0.046 0.000 2.458 266 F HA 0.545 5.072 4.527 -0.000 0.000 0.330 266 F C -0.070 175.708 175.800 -0.036 0.000 1.082 266 F CA -0.733 57.232 58.000 -0.059 0.000 0.995 266 F CB 1.876 40.803 39.000 -0.122 0.000 1.170 266 F HN 0.413 nan 8.300 nan 0.000 0.478 267 L N 3.776 125.115 121.223 0.193 0.000 2.356 267 L HA 0.713 5.052 4.340 -0.000 0.000 0.277 267 L C -1.342 175.525 176.870 -0.006 0.000 0.996 267 L CA -0.588 54.291 54.840 0.065 0.000 0.822 267 L CB 1.722 43.799 42.059 0.029 0.000 1.256 267 L HN 0.318 nan 8.230 nan 0.000 0.413 268 V N 4.098 123.978 119.914 -0.057 0.000 2.540 268 V HA 0.585 4.705 4.120 -0.000 0.000 0.302 268 V C -0.781 175.187 176.094 -0.209 0.000 1.035 268 V CA -0.653 61.557 62.300 -0.150 0.000 0.873 268 V CB 1.771 33.518 31.823 -0.126 0.000 0.992 268 V HN 0.782 nan 8.190 nan 0.000 0.428 269 N N 3.199 121.729 118.700 -0.283 0.000 2.617 269 N HA 0.569 5.309 4.740 -0.000 0.000 0.263 269 N C -0.068 175.232 175.510 -0.351 0.000 1.074 269 N CA -0.056 52.815 53.050 -0.300 0.000 0.841 269 N CB 1.883 40.219 38.487 -0.251 0.000 1.221 269 N HN 0.773 nan 8.380 nan 0.000 0.529 270 A N 2.083 124.707 122.820 -0.326 0.000 2.545 270 A HA 0.631 4.951 4.320 -0.000 0.000 0.277 270 A C 1.113 178.571 177.584 -0.210 0.000 1.301 270 A CA 0.383 52.271 52.037 -0.248 0.000 0.935 270 A CB -0.130 18.800 19.000 -0.116 0.000 1.093 270 A HN 0.627 nan 8.150 nan 0.000 0.519 271 A N 0.170 122.849 122.820 -0.236 0.000 2.536 271 A HA 0.615 4.935 4.320 -0.000 0.000 0.219 271 A C 0.887 178.381 177.584 -0.150 0.000 1.926 271 A CA 0.340 52.279 52.037 -0.163 0.000 0.710 271 A CB 0.321 19.228 19.000 -0.155 0.000 1.364 271 A HN 0.257 nan 8.150 nan 0.000 0.522 272 R N -1.220 119.203 120.500 -0.129 0.000 2.698 272 R HA 0.441 4.781 4.340 -0.000 0.000 0.275 272 R C -0.425 175.832 176.300 -0.071 0.000 1.001 272 R CA -0.056 55.991 56.100 -0.089 0.000 0.896 272 R CB 1.425 31.705 30.300 -0.034 0.000 1.218 272 R HN 0.579 nan 8.270 nan 0.000 0.462 273 G N -0.611 108.169 108.800 -0.033 0.000 2.398 273 G HA2 0.376 4.336 3.960 -0.000 0.000 0.246 273 G HA3 0.376 4.336 3.960 -0.000 0.000 0.246 273 G C 0.874 175.814 174.900 0.067 0.000 1.289 273 G CA 0.766 45.872 45.100 0.009 0.000 0.869 273 G HN 0.765 nan 8.290 nan 0.000 0.543 274 G N 1.085 109.927 108.800 0.070 0.000 2.194 274 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.236 274 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.236 274 G C 1.316 176.241 174.900 0.042 0.000 0.987 274 G CA 0.438 45.604 45.100 0.110 0.000 0.635 274 G HN 0.672 nan 8.290 nan 0.000 0.520 275 L N -0.031 121.206 121.223 0.023 0.000 2.191 275 L HA 0.112 4.452 4.340 -0.000 0.000 0.212 275 L C 1.005 177.867 176.870 -0.014 0.000 1.103 275 L CA 1.068 55.913 54.840 0.009 0.000 0.769 275 L CB -0.128 41.925 42.059 -0.010 0.000 0.908 275 L HN 0.210 nan 8.230 nan 0.000 0.438 276 V N -0.441 119.446 119.914 -0.046 0.000 2.495 276 V HA 0.162 4.282 4.120 -0.000 0.000 0.298 276 V C -0.353 175.594 176.094 -0.246 0.000 1.031 276 V CA -0.955 61.277 62.300 -0.112 0.000 0.871 276 V CB 1.868 33.635 31.823 -0.094 0.000 0.988 276 V HN -0.019 nan 8.190 nan 0.000 0.432 277 D N 3.551 123.680 120.400 -0.453 0.000 2.359 277 D HA 0.095 4.735 4.640 -0.000 0.000 0.250 277 D C 1.074 177.230 176.300 -0.240 0.000 1.264 277 D CA 0.146 53.753 54.000 -0.655 0.000 0.911 277 D CB 1.044 41.452 40.800 -0.653 0.000 1.056 277 D HN 0.663 nan 8.370 nan 0.000 0.499 278 E N 2.620 122.746 120.200 -0.123 0.000 2.204 278 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 278 E C 2.141 178.743 176.600 0.003 0.000 0.990 278 E CA 1.368 57.761 56.400 -0.011 0.000 0.821 278 E CB 0.148 29.892 29.700 0.072 0.000 0.750 278 E HN 0.562 nan 8.360 nan 0.000 0.477 279 K N 1.068 121.461 120.400 -0.011 0.000 2.057 279 K HA -0.034 4.286 4.320 -0.000 0.000 0.207 279 K C 2.142 178.739 176.600 -0.005 0.000 1.049 279 K CA 1.425 57.716 56.287 0.007 0.000 0.931 279 K CB -1.079 31.430 32.500 0.016 0.000 0.714 279 K HN 0.213 nan 8.250 nan 0.000 0.440 280 A N 0.680 123.479 122.820 -0.036 0.000 1.858 280 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 280 A C 2.411 179.985 177.584 -0.017 0.000 1.190 280 A CA 1.768 53.788 52.037 -0.028 0.000 0.617 280 A CB -0.510 18.459 19.000 -0.052 0.000 0.827 280 A HN 0.603 nan 8.150 nan 0.000 0.443 281 L N -0.008 121.201 121.223 -0.022 0.000 2.012 281 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 281 L C 2.650 179.532 176.870 0.020 0.000 1.073 281 L CA 2.328 57.167 54.840 -0.002 0.000 0.748 281 L CB -1.079 40.980 42.059 -0.000 0.000 0.891 281 L HN 0.375 nan 8.230 nan 0.000 0.431 282 A N -0.968 121.871 122.820 0.031 0.000 1.873 282 A HA -0.349 3.971 4.320 -0.000 0.000 0.218 282 A C 2.368 179.969 177.584 0.029 0.000 1.193 282 A CA 2.251 54.315 52.037 0.045 0.000 0.629 282 A CB -0.859 18.173 19.000 0.053 0.000 0.826 282 A HN 0.688 nan 8.150 nan 0.000 0.447 283 Q N -1.011 118.800 119.800 0.018 0.000 2.119 283 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 283 Q C 2.259 178.261 176.000 0.004 0.000 0.972 283 Q CA 1.288 57.097 55.803 0.010 0.000 0.847 283 Q CB -0.327 28.416 28.738 0.009 0.000 0.903 283 Q HN 0.638 nan 8.270 nan 0.000 0.433 284 A N 0.695 123.516 122.820 0.001 0.000 1.883 284 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 284 A C 2.008 179.589 177.584 -0.003 0.000 1.186 284 A CA 1.356 53.389 52.037 -0.006 0.000 0.624 284 A CB -0.761 18.234 19.000 -0.008 0.000 0.822 284 A HN 0.424 nan 8.150 nan 0.000 0.444 285 L N -0.799 120.430 121.223 0.010 0.000 2.017 285 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 285 L C 2.588 179.456 176.870 -0.003 0.000 1.073 285 L CA 1.930 56.777 54.840 0.012 0.000 0.745 285 L CB -0.401 41.680 42.059 0.035 0.000 0.894 285 L HN 0.317 nan 8.230 nan 0.000 0.432 286 K N 0.011 120.411 120.400 0.000 0.000 2.074 286 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 286 K C 1.830 178.421 176.600 -0.015 0.000 1.048 286 K CA 1.645 57.928 56.287 -0.008 0.000 0.926 286 K CB -0.164 32.336 32.500 -0.000 0.000 0.713 286 K HN 0.346 nan 8.250 nan 0.000 0.444 287 E N -0.764 119.427 120.200 -0.014 0.000 2.502 287 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 287 E C 0.922 177.506 176.600 -0.027 0.000 1.062 287 E CA 0.323 56.711 56.400 -0.019 0.000 0.867 287 E CB 0.331 30.021 29.700 -0.016 0.000 0.888 287 E HN 0.531 nan 8.360 nan 0.000 0.510 288 G N 1.620 110.402 108.800 -0.030 0.000 2.205 288 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.261 288 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.261 288 G C 1.033 175.904 174.900 -0.049 0.000 0.980 288 G CA 0.534 45.610 45.100 -0.041 0.000 0.632 288 G HN 0.257 nan 8.290 nan 0.000 0.533 289 R N -0.396 120.080 120.500 -0.041 0.000 2.105 289 R HA 0.116 4.455 4.340 -0.000 0.000 0.239 289 R C 1.048 177.314 176.300 -0.058 0.000 1.135 289 R CA 1.209 57.280 56.100 -0.048 0.000 0.967 289 R CB -0.030 30.246 30.300 -0.040 0.000 0.861 289 R HN 0.499 nan 8.270 nan 0.000 0.442 290 I N 0.286 120.831 120.570 -0.042 0.000 2.406 290 I HA 0.118 4.288 4.170 -0.000 0.000 0.290 290 I C 1.318 177.418 176.117 -0.029 0.000 0.999 290 I CA -0.419 60.858 61.300 -0.039 0.000 1.124 290 I CB 1.955 39.956 38.000 0.002 0.000 1.289 290 I HN 0.001 nan 8.210 nan 0.000 0.441 291 R N 4.146 124.591 120.500 -0.092 0.000 2.148 291 R HA 0.093 4.433 4.340 -0.000 0.000 0.227 291 R C 0.480 176.868 176.300 0.147 0.000 1.103 291 R CA 0.750 56.803 56.100 -0.077 0.000 0.983 291 R CB 0.315 30.417 30.300 -0.331 0.000 0.874 291 R HN 0.863 nan 8.270 nan 0.000 0.451 292 G N -1.674 107.321 108.800 0.325 0.000 2.519 292 G HA2 0.539 4.499 3.960 -0.000 0.000 0.292 292 G HA3 0.539 4.499 3.960 -0.000 0.000 0.292 292 G C -2.062 173.062 174.900 0.374 0.000 1.507 292 G CA -0.182 45.177 45.100 0.431 0.000 0.806 292 G HN 0.257 nan 8.290 nan 0.000 0.523 293 A N -0.716 122.254 122.820 0.250 0.000 2.475 293 A HA 1.024 5.344 4.320 -0.000 0.000 0.301 293 A C -0.262 177.349 177.584 0.045 0.000 1.059 293 A CA -0.016 52.090 52.037 0.114 0.000 0.710 293 A CB 1.808 20.852 19.000 0.073 0.000 1.288 293 A HN 2.408 nan 8.150 nan 0.000 0.408 294 A N 1.865 124.631 122.820 -0.091 0.000 2.311 294 A HA 0.705 5.025 4.320 -0.000 0.000 0.306 294 A C -1.107 176.244 177.584 -0.389 0.000 1.189 294 A CA -0.274 51.639 52.037 -0.205 0.000 0.791 294 A CB 0.382 19.246 19.000 -0.226 0.000 1.172 294 A HN 0.805 nan 8.150 nan 0.000 0.481 295 L N 2.294 123.287 121.223 -0.384 0.000 2.343 295 L HA 0.366 4.706 4.340 -0.000 0.000 0.278 295 L C 0.312 176.862 176.870 -0.534 0.000 0.996 295 L CA -0.394 54.149 54.840 -0.496 0.000 0.831 295 L CB 2.025 43.771 42.059 -0.521 0.000 1.232 295 L HN 0.892 nan 8.230 nan 0.000 0.413 296 D N 1.679 121.770 120.400 -0.516 0.000 2.354 296 D HA 0.075 4.715 4.640 -0.000 0.000 0.209 296 D C -0.002 176.077 176.300 -0.368 0.000 1.015 296 D CA 0.365 54.180 54.000 -0.309 0.000 0.867 296 D CB 0.709 41.401 40.800 -0.180 0.000 0.933 296 D HN 0.240 nan 8.370 nan 0.000 0.520 297 V N -1.967 117.590 119.914 -0.595 0.000 3.049 297 V HA 0.699 4.819 4.120 -0.000 0.000 0.309 297 V C -1.287 174.414 176.094 -0.656 0.000 1.148 297 V CA -0.986 61.026 62.300 -0.479 0.000 0.990 297 V CB 1.832 33.403 31.823 -0.420 0.000 1.039 297 V HN 0.011 nan 8.190 nan 0.000 0.430 298 H N 0.027 119.087 119.070 -0.017 0.000 2.980 298 H HA 0.519 5.074 4.556 -0.000 0.000 0.367 298 H C 0.442 175.831 175.328 0.102 0.000 1.206 298 H CA -0.398 55.684 56.048 0.057 0.000 1.126 298 H CB 2.077 31.936 29.762 0.162 0.000 1.838 298 H HN 0.730 nan 8.280 nan 0.000 0.552 299 E N 0.628 120.968 120.200 0.233 0.000 2.097 299 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 299 E C 0.136 176.853 176.600 0.195 0.000 1.000 299 E CA 1.401 57.921 56.400 0.199 0.000 0.804 299 E CB 0.198 30.017 29.700 0.198 0.000 0.740 299 E HN 0.213 nan 8.360 nan 0.000 0.454 300 S N 0.508 116.330 115.700 0.203 0.000 2.640 300 S HA 0.162 4.632 4.470 -0.000 0.000 0.320 300 S C -1.089 173.612 174.600 0.168 0.000 1.097 300 S CA -0.690 57.602 58.200 0.154 0.000 1.092 300 S CB 0.685 63.944 63.200 0.098 0.000 0.988 300 S HN 0.026 nan 8.310 nan 0.000 0.470 301 E N 4.232 124.540 120.200 0.179 0.000 2.191 301 E HA 0.486 4.836 4.350 -0.000 0.000 0.274 301 E C -2.250 174.419 176.600 0.115 0.000 0.948 301 E CA -2.094 54.418 56.400 0.188 0.000 0.802 301 E CB 0.831 30.705 29.700 0.290 0.000 1.137 301 E HN 0.527 nan 8.360 nan 0.000 0.397 302 P HA 0.140 nan 4.420 nan 0.000 0.279 302 P C -0.980 176.329 177.300 0.015 0.000 1.239 302 P CA -0.366 62.782 63.100 0.079 0.000 0.789 302 P CB 0.465 32.190 31.700 0.042 0.000 0.933 303 F N 1.922 121.760 119.950 -0.185 0.000 2.418 303 F HA 0.368 4.894 4.527 -0.000 0.000 0.341 303 F C 0.432 176.030 175.800 -0.338 0.000 1.120 303 F CA 0.485 58.242 58.000 -0.405 0.000 1.232 303 F CB 0.995 39.454 39.000 -0.901 0.000 1.175 303 F HN 0.404 nan 8.300 nan 0.000 0.569 304 S N 4.904 119.867 115.700 -1.229 0.000 2.540 304 S HA 0.386 4.856 4.470 -0.000 0.000 0.275 304 S C 0.123 174.055 174.600 -1.114 0.000 1.123 304 S CA -0.723 56.963 58.200 -0.857 0.000 0.907 304 S CB 0.680 63.648 63.200 -0.386 0.000 1.081 304 S HN 0.649 nan 8.310 nan 0.000 0.476 305 F N 2.191 121.916 119.950 -0.375 0.000 2.558 305 F HA 0.180 4.707 4.527 -0.000 0.000 0.298 305 F C 2.447 178.165 175.800 -0.138 0.000 1.119 305 F CA 0.687 58.591 58.000 -0.159 0.000 1.451 305 F CB 0.066 39.105 39.000 0.066 0.000 1.091 305 F HN 0.759 nan 8.300 nan 0.000 0.563 306 A N -0.786 122.033 122.820 -0.003 0.000 2.169 306 A HA 0.088 4.408 4.320 -0.000 0.000 0.212 306 A C 0.635 178.181 177.584 -0.062 0.000 1.153 306 A CA 0.382 52.413 52.037 -0.011 0.000 0.756 306 A CB -0.157 18.837 19.000 -0.010 0.000 0.813 306 A HN 0.337 nan 8.150 nan 0.000 0.471 307 Q N -1.809 117.901 119.800 -0.150 0.000 2.397 307 Q HA 0.541 4.881 4.340 -0.000 0.000 0.275 307 Q C -0.094 175.809 176.000 -0.161 0.000 1.090 307 Q CA -0.151 55.568 55.803 -0.141 0.000 0.809 307 Q CB 2.365 31.009 28.738 -0.156 0.000 1.362 307 Q HN 0.745 nan 8.270 nan 0.000 0.431 308 G N 1.499 110.256 108.800 -0.073 0.000 2.566 308 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.599 308 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.599 308 G C -2.231 172.681 174.900 0.019 0.000 1.292 308 G CA -0.564 44.518 45.100 -0.029 0.000 0.922 308 G HN 0.494 nan 8.290 nan 0.000 0.514 309 P HA 0.053 nan 4.420 nan 0.000 0.223 309 P C 1.667 179.019 177.300 0.086 0.000 1.151 309 P CA 0.939 64.077 63.100 0.064 0.000 0.787 309 P CB 0.059 31.801 31.700 0.069 0.000 0.788 310 L N -1.322 119.979 121.223 0.130 0.000 2.627 310 L HA 0.098 4.438 4.340 -0.000 0.000 0.232 310 L C 2.711 179.685 176.870 0.173 0.000 1.150 310 L CA 0.246 55.196 54.840 0.182 0.000 0.917 310 L CB -1.122 41.126 42.059 0.314 0.000 1.104 310 L HN -0.104 nan 8.230 nan 0.000 0.445 311 K N 0.789 121.250 120.400 0.102 0.000 2.013 311 K HA -0.299 4.021 4.320 -0.000 0.000 0.225 311 K C 1.344 178.007 176.600 0.104 0.000 1.056 311 K CA 2.515 58.851 56.287 0.082 0.000 0.971 311 K CB -1.729 30.794 32.500 0.039 0.000 0.731 311 K HN 0.551 nan 8.250 nan 0.000 0.450 312 D N -0.337 120.108 120.400 0.074 0.000 2.738 312 D HA 0.629 5.269 4.640 -0.000 0.000 0.246 312 D C 0.226 176.556 176.300 0.049 0.000 1.270 312 D CA 0.290 54.322 54.000 0.052 0.000 0.833 312 D CB -0.191 40.626 40.800 0.027 0.000 1.040 312 D HN 0.932 nan 8.370 nan 0.000 0.487 313 A N 1.854 124.725 122.820 0.084 0.000 2.328 313 A HA 0.678 4.998 4.320 -0.000 0.000 0.284 313 A C -2.042 175.572 177.584 0.051 0.000 1.160 313 A CA -1.046 51.035 52.037 0.073 0.000 0.818 313 A CB 0.678 19.744 19.000 0.110 0.000 1.087 313 A HN 0.348 nan 8.150 nan 0.000 0.504 314 P HA 0.224 nan 4.420 nan 0.000 0.276 314 P C -0.473 176.792 177.300 -0.059 0.000 1.261 314 P CA -0.474 62.591 63.100 -0.058 0.000 0.800 314 P CB 0.209 31.860 31.700 -0.082 0.000 1.066 315 N N -2.089 116.489 118.700 -0.203 0.000 2.727 315 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 315 N C -0.495 175.130 175.510 0.190 0.000 1.048 315 N CA 0.111 53.001 53.050 -0.267 0.000 0.714 315 N CB -1.390 36.972 38.487 -0.209 0.000 0.959 315 N HN 0.307 nan 8.380 nan 0.000 0.544 316 L N 0.599 121.987 121.223 0.275 0.000 2.322 316 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 316 L C -0.572 176.587 176.870 0.482 0.000 1.014 316 L CA -0.635 54.419 54.840 0.357 0.000 0.815 316 L CB 1.257 43.494 42.059 0.296 0.000 1.247 316 L HN 0.081 nan 8.230 nan 0.000 0.421 317 I N 4.289 125.062 120.570 0.339 0.000 2.404 317 I HA 0.443 4.613 4.170 -0.000 0.000 0.293 317 I C -0.988 175.212 176.117 0.139 0.000 0.992 317 I CA -0.464 60.964 61.300 0.212 0.000 1.149 317 I CB 1.572 39.569 38.000 -0.005 0.000 1.315 317 I HN 0.606 nan 8.210 nan 0.000 0.446 318 C N 3.466 122.888 119.300 0.203 0.000 2.698 318 C HA 0.724 5.184 4.460 -0.000 0.000 0.309 318 C C 0.129 175.162 174.990 0.072 0.000 1.186 318 C CA -0.494 58.525 59.018 0.002 0.000 1.474 318 C CB 1.841 29.352 27.740 -0.381 0.000 2.020 318 C HN 0.811 nan 8.230 nan 0.000 0.474 319 T N -0.467 114.112 114.554 0.041 0.000 2.907 319 T HA 0.636 4.985 4.350 -0.000 0.000 0.292 319 T C -2.902 171.847 174.700 0.082 0.000 1.043 319 T CA -1.666 60.486 62.100 0.086 0.000 1.003 319 T CB 1.857 70.809 68.868 0.141 0.000 1.084 319 T HN 0.465 nan 8.240 nan 0.000 0.483 320 P HA 0.226 nan 4.420 nan 0.000 0.212 320 P C -0.153 177.301 177.300 0.257 0.000 1.816 320 P CA 0.031 63.224 63.100 0.155 0.000 0.944 320 P CB -1.234 30.535 31.700 0.115 0.000 1.896 321 H N 0.260 119.408 119.070 0.130 0.000 2.827 321 H HA -0.149 4.407 4.556 -0.000 0.000 0.330 321 H C 0.302 175.768 175.328 0.230 0.000 1.236 321 H CA 0.776 56.916 56.048 0.152 0.000 1.165 321 H CB -1.394 28.452 29.762 0.139 0.000 1.532 321 H HN 0.362 nan 8.280 nan 0.000 0.434 322 T N -3.440 111.259 114.554 0.242 0.000 3.003 322 T HA 0.467 4.817 4.350 -0.000 0.000 0.261 322 T C 2.080 176.749 174.700 -0.052 0.000 1.003 322 T CA 0.340 62.455 62.100 0.024 0.000 0.917 322 T CB 0.323 69.173 68.868 -0.030 0.000 1.084 322 T HN 0.479 nan 8.240 nan 0.000 0.522 323 A N 2.587 125.476 122.820 0.114 0.000 1.958 323 A HA -0.117 4.203 4.320 -0.000 0.000 0.221 323 A C 2.173 179.819 177.584 0.103 0.000 1.178 323 A CA 1.853 53.950 52.037 0.099 0.000 0.642 323 A CB -1.438 17.639 19.000 0.128 0.000 0.816 323 A HN 0.912 nan 8.150 nan 0.000 0.453 324 W N -1.889 119.479 121.300 0.114 0.000 2.519 324 W HA 0.030 4.690 4.660 -0.000 0.000 0.266 324 W C 0.553 177.140 176.519 0.113 0.000 1.253 324 W CA 0.410 57.818 57.345 0.106 0.000 1.274 324 W CB -1.065 28.474 29.460 0.132 0.000 1.114 324 W HN 0.333 nan 8.180 nan 0.000 0.596 325 Y N 3.955 123.676 120.300 -0.965 0.000 2.377 325 Y HA 0.334 4.884 4.550 -0.000 0.000 0.330 325 Y C 0.332 175.956 175.900 -0.461 0.000 1.108 325 Y CA -0.027 57.385 58.100 -1.146 0.000 1.308 325 Y CB 0.762 38.453 38.460 -1.282 0.000 1.216 325 Y HN 0.006 nan 8.280 nan 0.000 0.518 326 S N 2.969 117.975 115.700 -1.156 0.000 2.607 326 S HA 0.271 4.741 4.470 -0.000 0.000 0.273 326 S C 0.491 174.420 174.600 -1.117 0.000 1.148 326 S CA -0.572 57.019 58.200 -1.016 0.000 0.833 326 S CB 1.555 64.502 63.200 -0.421 0.000 1.130 326 S HN 0.815 nan 8.310 nan 0.000 0.470 327 E N 0.543 120.331 120.200 -0.686 0.000 2.070 327 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 327 E C 1.596 178.079 176.600 -0.196 0.000 1.004 327 E CA 2.205 58.414 56.400 -0.318 0.000 0.805 327 E CB -0.170 29.448 29.700 -0.136 0.000 0.744 327 E HN 0.709 nan 8.360 nan 0.000 0.451 328 Q N -0.152 119.543 119.800 -0.175 0.000 2.123 328 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 328 Q C 1.932 177.896 176.000 -0.061 0.000 0.966 328 Q CA 1.499 57.248 55.803 -0.090 0.000 0.845 328 Q CB -0.240 28.452 28.738 -0.078 0.000 0.907 328 Q HN 0.353 nan 8.270 nan 0.000 0.439 329 A N 0.116 122.879 122.820 -0.094 0.000 1.898 329 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 329 A C 2.240 179.890 177.584 0.111 0.000 1.181 329 A CA 1.760 53.801 52.037 0.007 0.000 0.620 329 A CB -0.990 18.019 19.000 0.015 0.000 0.819 329 A HN 0.348 nan 8.150 nan 0.000 0.442 330 S N -0.811 114.952 115.700 0.105 0.000 2.382 330 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 330 S C 1.941 176.661 174.600 0.199 0.000 1.027 330 S CA 1.540 59.927 58.200 0.313 0.000 0.991 330 S CB -0.461 62.973 63.200 0.390 0.000 0.823 330 S HN 0.445 nan 8.310 nan 0.000 0.469 331 L N 2.067 123.352 121.223 0.103 0.000 1.994 331 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 331 L C 2.441 179.351 176.870 0.066 0.000 1.071 331 L CA 2.494 57.380 54.840 0.076 0.000 0.745 331 L CB -1.025 41.057 42.059 0.038 0.000 0.892 331 L HN 0.457 nan 8.230 nan 0.000 0.431 332 E N -0.528 119.705 120.200 0.053 0.000 2.097 332 E HA -0.297 4.053 4.350 -0.000 0.000 0.196 332 E C 2.194 178.821 176.600 0.046 0.000 1.000 332 E CA 2.167 58.591 56.400 0.039 0.000 0.804 332 E CB -0.213 29.506 29.700 0.031 0.000 0.740 332 E HN 0.710 nan 8.360 nan 0.000 0.454 333 M N -0.934 118.711 119.600 0.074 0.000 2.288 333 M HA 0.006 4.486 4.480 -0.000 0.000 0.266 333 M C 2.111 178.432 176.300 0.036 0.000 1.072 333 M CA 1.058 56.392 55.300 0.056 0.000 1.132 333 M CB -0.178 32.468 32.600 0.077 0.000 1.386 333 M HN -0.130 nan 8.290 nan 0.000 0.432 334 R N 1.132 121.674 120.500 0.070 0.000 2.073 334 R HA -0.068 4.271 4.340 -0.000 0.000 0.234 334 R C 2.145 178.458 176.300 0.022 0.000 1.134 334 R CA 2.088 58.219 56.100 0.051 0.000 0.952 334 R CB -0.445 29.915 30.300 0.101 0.000 0.850 334 R HN 0.588 nan 8.270 nan 0.000 0.433 335 E N 0.493 120.709 120.200 0.028 0.000 2.085 335 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 335 E C 2.055 178.654 176.600 -0.002 0.000 0.994 335 E CA 1.277 57.685 56.400 0.013 0.000 0.801 335 E CB -0.131 29.578 29.700 0.015 0.000 0.743 335 E HN 0.372 nan 8.360 nan 0.000 0.453 336 A N 1.308 124.126 122.820 -0.003 0.000 1.933 336 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 336 A C 2.348 179.912 177.584 -0.032 0.000 1.175 336 A CA 1.619 53.647 52.037 -0.016 0.000 0.628 336 A CB -0.499 18.493 19.000 -0.013 0.000 0.814 336 A HN 0.294 nan 8.150 nan 0.000 0.444 337 A N -0.197 122.599 122.820 -0.039 0.000 1.897 337 A HA 0.247 4.567 4.320 -0.000 0.000 0.215 337 A C 2.482 180.033 177.584 -0.055 0.000 1.181 337 A CA 1.777 53.776 52.037 -0.064 0.000 0.620 337 A CB -0.945 17.997 19.000 -0.097 0.000 0.821 337 A HN 1.003 nan 8.150 nan 0.000 0.443 338 A N -0.425 122.373 122.820 -0.036 0.000 1.933 338 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 338 A C 2.278 179.846 177.584 -0.028 0.000 1.175 338 A CA 2.337 54.359 52.037 -0.026 0.000 0.628 338 A CB -1.282 17.713 19.000 -0.009 0.000 0.814 338 A HN 0.479 nan 8.150 nan 0.000 0.444 339 T N -0.666 113.871 114.554 -0.028 0.000 2.867 339 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 339 T C 1.784 176.460 174.700 -0.040 0.000 1.057 339 T CA 1.504 63.587 62.100 -0.029 0.000 1.136 339 T CB -0.169 68.684 68.868 -0.025 0.000 0.874 339 T HN 0.608 nan 8.240 nan 0.000 0.466 340 E N 1.089 121.259 120.200 -0.050 0.000 2.047 340 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 340 E C 2.053 178.613 176.600 -0.067 0.000 0.987 340 E CA 0.738 57.099 56.400 -0.065 0.000 0.799 340 E CB -0.401 29.254 29.700 -0.076 0.000 0.752 340 E HN 0.257 nan 8.360 nan 0.000 0.449 341 I N 0.823 121.356 120.570 -0.061 0.000 2.151 341 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 341 I C 2.520 178.610 176.117 -0.045 0.000 1.080 341 I CA 1.479 62.745 61.300 -0.055 0.000 1.339 341 I CB -1.000 36.974 38.000 -0.045 0.000 1.039 341 I HN 0.229 nan 8.210 nan 0.000 0.409 342 R N 0.463 120.941 120.500 -0.037 0.000 2.091 342 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 342 R C 2.474 178.752 176.300 -0.036 0.000 1.136 342 R CA 1.445 57.527 56.100 -0.030 0.000 0.959 342 R CB -0.058 30.228 30.300 -0.024 0.000 0.856 342 R HN 0.359 nan 8.270 nan 0.000 0.437 343 R N -0.583 119.890 120.500 -0.046 0.000 2.075 343 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 343 R C 2.286 178.550 176.300 -0.061 0.000 1.126 343 R CA 1.189 57.258 56.100 -0.052 0.000 0.963 343 R CB -0.289 29.974 30.300 -0.061 0.000 0.858 343 R HN 0.205 nan 8.270 nan 0.000 0.435 344 A N 1.216 123.995 122.820 -0.070 0.000 1.940 344 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 344 A C 2.116 179.667 177.584 -0.056 0.000 1.176 344 A CA 1.278 53.268 52.037 -0.078 0.000 0.631 344 A CB -0.395 18.553 19.000 -0.087 0.000 0.814 344 A HN 0.175 nan 8.150 nan 0.000 0.446 345 I N -0.908 119.637 120.570 -0.041 0.000 2.233 345 I HA -0.160 4.010 4.170 -0.000 0.000 0.243 345 I C 2.497 178.600 176.117 -0.023 0.000 1.093 345 I CA 1.682 62.966 61.300 -0.026 0.000 1.380 345 I CB -0.383 37.605 38.000 -0.019 0.000 1.067 345 I HN 0.221 nan 8.210 nan 0.000 0.413 346 T N 0.134 114.673 114.554 -0.026 0.000 2.904 346 T HA 0.051 4.401 4.350 -0.000 0.000 0.267 346 T C 0.918 175.604 174.700 -0.024 0.000 1.059 346 T CA 1.101 63.188 62.100 -0.021 0.000 1.137 346 T CB -0.338 68.516 68.868 -0.022 0.000 0.879 346 T HN 0.500 nan 8.240 nan 0.000 0.467 347 G N 1.146 109.925 108.800 -0.034 0.000 2.971 347 G HA2 0.583 4.543 3.960 -0.000 0.000 0.235 347 G HA3 0.583 4.543 3.960 -0.000 0.000 0.235 347 G C -0.738 174.137 174.900 -0.042 0.000 1.351 347 G CA -1.107 43.971 45.100 -0.038 0.000 1.039 347 G HN 0.437 nan 8.290 nan 0.000 0.563 348 R N -0.907 119.563 120.500 -0.050 0.000 2.428 348 R HA 0.614 4.954 4.340 -0.000 0.000 0.294 348 R C -1.046 175.186 176.300 -0.113 0.000 1.000 348 R CA -0.616 55.450 56.100 -0.057 0.000 0.960 348 R CB 1.406 31.685 30.300 -0.035 0.000 1.076 348 R HN 0.273 nan 8.270 nan 0.000 0.475 349 I N 4.099 124.580 120.570 -0.149 0.000 2.321 349 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 349 I C -1.532 174.320 176.117 -0.442 0.000 0.998 349 I CA -2.117 59.012 61.300 -0.285 0.000 1.227 349 I CB 2.268 40.114 38.000 -0.256 0.000 1.368 349 I HN 0.655 nan 8.210 nan 0.000 0.466 350 P HA 0.188 nan 4.420 nan 0.000 0.275 350 P C 0.717 177.842 177.300 -0.293 0.000 1.310 350 P CA 0.190 62.969 63.100 -0.536 0.000 0.904 350 P CB 0.559 31.812 31.700 -0.746 0.000 1.381 351 E N 0.498 120.576 120.200 -0.204 0.000 2.118 351 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 351 E C 1.856 178.389 176.600 -0.112 0.000 0.992 351 E CA 1.534 57.857 56.400 -0.129 0.000 0.804 351 E CB -0.777 28.874 29.700 -0.082 0.000 0.741 351 E HN 0.172 nan 8.360 nan 0.000 0.458 352 S N 0.025 115.656 115.700 -0.114 0.000 2.561 352 S HA 0.068 4.538 4.470 -0.000 0.000 0.225 352 S C 0.607 175.147 174.600 -0.099 0.000 0.977 352 S CA 0.118 58.263 58.200 -0.092 0.000 0.926 352 S CB -0.035 63.117 63.200 -0.081 0.000 0.769 352 S HN 0.121 nan 8.310 nan 0.000 0.533 353 L N 1.554 122.699 121.223 -0.130 0.000 2.371 353 L HA 0.359 4.698 4.340 -0.000 0.000 0.272 353 L C 1.540 178.344 176.870 -0.109 0.000 1.124 353 L CA -0.444 54.318 54.840 -0.129 0.000 0.816 353 L CB 0.725 42.681 42.059 -0.171 0.000 1.129 353 L HN 0.042 nan 8.230 nan 0.000 0.448 354 R N 1.825 122.269 120.500 -0.093 0.000 2.080 354 R HA 0.053 4.393 4.340 -0.000 0.000 0.222 354 R C 0.423 176.675 176.300 -0.080 0.000 1.107 354 R CA 1.147 57.202 56.100 -0.076 0.000 0.980 354 R CB 0.277 30.540 30.300 -0.062 0.000 0.879 354 R HN 0.612 nan 8.270 nan 0.000 0.439 355 N N 0.086 118.730 118.700 -0.094 0.000 2.703 355 N HA 0.093 4.833 4.740 -0.000 0.000 0.283 355 N C -1.638 173.790 175.510 -0.137 0.000 1.851 355 N CA -0.303 52.689 53.050 -0.097 0.000 0.826 355 N CB 0.988 39.429 38.487 -0.075 0.000 1.239 355 N HN 0.141 nan 8.380 nan 0.000 0.495 356 C N 1.580 120.788 119.300 -0.154 0.000 2.499 356 C HA 0.278 4.738 4.460 -0.000 0.000 0.386 356 C C 1.923 176.789 174.990 -0.207 0.000 1.293 356 C CA -0.381 58.520 59.018 -0.195 0.000 1.884 356 C CB -0.823 26.788 27.740 -0.215 0.000 2.509 356 C HN 0.444 nan 8.230 nan 0.000 0.566 357 V N 3.993 123.734 119.914 -0.287 0.000 3.444 357 V HA 0.311 4.431 4.120 -0.000 0.000 0.308 357 V C 0.640 176.571 176.094 -0.271 0.000 1.371 357 V CA 0.527 62.612 62.300 -0.359 0.000 1.141 357 V CB -0.888 30.460 31.823 -0.793 0.000 1.037 357 V HN 0.939 nan 8.190 nan 0.000 0.433 358 N N 0.350 118.941 118.700 -0.182 0.000 2.687 358 N HA 0.154 4.894 4.740 -0.000 0.000 0.275 358 N C -0.435 175.065 175.510 -0.017 0.000 1.789 358 N CA -0.419 52.578 53.050 -0.090 0.000 0.806 358 N CB 0.344 38.788 38.487 -0.072 0.000 1.256 358 N HN 0.485 nan 8.380 nan 0.000 0.500 359 K N 1.561 121.946 120.400 -0.024 0.000 2.480 359 K HA 0.043 4.363 4.320 -0.000 0.000 0.241 359 K C 0.063 176.700 176.600 0.062 0.000 1.261 359 K CA 0.059 56.366 56.287 0.034 0.000 1.193 359 K CB -0.094 32.401 32.500 -0.008 0.000 1.598 359 K HN 0.551 nan 8.250 nan 0.000 0.278 360 E N 1.355 121.606 120.200 0.085 0.000 3.385 360 E HA 0.077 4.426 4.350 -0.000 0.000 0.206 360 E C -0.687 175.980 176.600 0.112 0.000 0.997 360 E CA -0.619 55.830 56.400 0.081 0.000 1.278 360 E CB -0.041 29.687 29.700 0.047 0.000 1.165 360 E HN 0.229 nan 8.360 nan 0.000 0.452 361 F N 1.618 121.563 119.950 -0.009 0.000 2.375 361 F HA 0.427 4.954 4.527 -0.000 0.000 0.333 361 F C 0.267 176.121 175.800 0.090 0.000 1.104 361 F CA -0.404 57.579 58.000 -0.028 0.000 1.149 361 F CB 0.344 39.268 39.000 -0.126 0.000 1.190 361 F HN 0.110 nan 8.300 nan 0.000 0.533 362 F N 0.000 119.386 119.950 -0.941 0.000 2.286 362 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 362 F CA 0.000 57.655 58.000 -0.575 0.000 1.383 362 F CB 0.000 38.783 39.000 -0.361 0.000 1.145 362 F HN 0.000 nan 8.300 nan 0.000 0.574