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 1isw_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGSSTPPPS GGGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.014 0.000 1.274 1 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 2 E N 0.272 120.461 120.200 -0.019 0.000 3.008 2 E HA 0.099 4.450 4.350 0.001 0.000 0.131 2 E C 0.238 176.821 176.600 -0.029 0.000 0.872 2 E CA 0.502 56.885 56.400 -0.029 0.000 1.451 2 E CB -0.440 29.243 29.700 -0.029 0.000 0.975 2 E HN 0.886 nan 8.360 nan 0.000 0.404 3 S N -0.071 115.618 115.700 -0.017 0.000 2.511 3 S HA 0.092 4.563 4.470 0.001 0.000 0.214 3 S C 0.943 175.555 174.600 0.021 0.000 0.997 3 S CA 0.583 58.783 58.200 0.001 0.000 0.908 3 S CB 0.192 63.393 63.200 0.003 0.000 0.803 3 S HN 0.382 nan 8.310 nan 0.000 0.504 4 T N -1.116 113.431 114.554 -0.011 0.000 2.916 4 T HA 0.648 4.999 4.350 0.001 0.000 0.292 4 T C 0.906 175.542 174.700 -0.108 0.000 1.055 4 T CA -0.957 61.133 62.100 -0.017 0.000 1.009 4 T CB 1.216 70.064 68.868 -0.033 0.000 1.118 4 T HN 0.018 nan 8.240 nan 0.000 0.497 5 L N 1.377 122.473 121.223 -0.213 0.000 2.012 5 L HA 0.081 4.422 4.340 0.001 0.000 0.210 5 L C 3.022 179.830 176.870 -0.103 0.000 1.073 5 L CA 1.836 56.451 54.840 -0.374 0.000 0.748 5 L CB -1.178 40.415 42.059 -0.778 0.000 0.891 5 L HN 0.974 nan 8.230 nan 0.000 0.431 6 G N -0.183 108.615 108.800 -0.004 0.000 2.446 6 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 6 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 6 G C 1.772 176.721 174.900 0.082 0.000 1.168 6 G CA 0.984 46.163 45.100 0.131 0.000 0.771 6 G HN 0.479 nan 8.290 nan 0.000 0.551 7 A N 1.042 123.875 122.820 0.021 0.000 1.898 7 A HA 0.304 4.624 4.320 0.001 0.000 0.216 7 A C 2.827 180.415 177.584 0.007 0.000 1.181 7 A CA 2.235 54.279 52.037 0.013 0.000 0.620 7 A CB -0.784 18.213 19.000 -0.006 0.000 0.819 7 A HN 0.831 nan 8.150 nan 0.000 0.442 8 A N -0.074 122.735 122.820 -0.019 0.000 1.902 8 A HA 0.144 4.465 4.320 0.001 0.000 0.217 8 A C 2.500 180.089 177.584 0.008 0.000 1.181 8 A CA 2.129 54.148 52.037 -0.029 0.000 0.623 8 A CB -0.997 17.952 19.000 -0.086 0.000 0.818 8 A HN 1.044 nan 8.150 nan 0.000 0.443 9 A N -0.152 122.700 122.820 0.054 0.000 1.898 9 A HA 0.186 4.506 4.320 0.001 0.000 0.216 9 A C 2.474 180.099 177.584 0.067 0.000 1.181 9 A CA 1.935 54.029 52.037 0.096 0.000 0.620 9 A CB -1.016 18.109 19.000 0.208 0.000 0.819 9 A HN 1.129 nan 8.150 nan 0.000 0.442 10 A N -0.515 122.349 122.820 0.073 0.000 2.024 10 A HA -0.240 4.080 4.320 0.001 0.000 0.220 10 A C 2.023 179.628 177.584 0.035 0.000 1.164 10 A CA 1.689 53.762 52.037 0.060 0.000 0.643 10 A CB -0.585 18.449 19.000 0.057 0.000 0.806 10 A HN 0.695 nan 8.150 nan 0.000 0.451 11 Q N -0.001 119.813 119.800 0.022 0.000 2.181 11 Q HA -0.132 4.209 4.340 0.001 0.000 0.205 11 Q C 1.836 177.841 176.000 0.009 0.000 0.980 11 Q CA 1.694 57.503 55.803 0.011 0.000 0.862 11 Q CB -0.216 28.523 28.738 0.001 0.000 0.905 11 Q HN 0.810 nan 8.270 nan 0.000 0.429 12 S N -1.645 114.061 115.700 0.010 0.000 2.582 12 S HA 0.377 4.848 4.470 0.001 0.000 0.234 12 S C 1.119 175.723 174.600 0.007 0.000 0.961 12 S CA 0.066 58.268 58.200 0.004 0.000 0.953 12 S CB 0.804 64.002 63.200 -0.003 0.000 0.800 12 S HN 0.484 nan 8.310 nan 0.000 0.471 13 G N 1.349 110.160 108.800 0.019 0.000 2.162 13 G HA2 -0.271 3.689 3.960 0.001 0.000 0.260 13 G HA3 -0.271 3.689 3.960 0.001 0.000 0.260 13 G C 0.208 175.128 174.900 0.033 0.000 0.976 13 G CA 0.230 45.347 45.100 0.028 0.000 0.655 13 G HN 0.613 nan 8.290 nan 0.000 0.533 14 R N -1.013 119.497 120.500 0.016 0.000 2.719 14 R HA 0.728 5.069 4.340 0.001 0.000 0.233 14 R C 0.093 176.425 176.300 0.054 0.000 1.257 14 R CA -0.392 55.685 56.100 -0.038 0.000 1.109 14 R CB 0.645 30.877 30.300 -0.113 0.000 1.447 14 R HN 0.518 nan 8.270 nan 0.000 0.537 15 Y N -1.766 118.578 120.300 0.075 0.000 2.605 15 Y HA 0.658 5.209 4.550 0.001 0.000 0.343 15 Y C -1.369 174.620 175.900 0.147 0.000 1.036 15 Y CA -1.840 56.322 58.100 0.105 0.000 1.065 15 Y CB 1.123 39.621 38.460 0.065 0.000 1.288 15 Y HN 0.411 nan 8.280 nan 0.000 0.481 16 F N 1.622 121.812 119.950 0.400 0.000 2.553 16 F HA 0.791 5.318 4.527 0.001 0.000 0.335 16 F C 0.015 176.131 175.800 0.527 0.000 1.148 16 F CA -0.712 57.518 58.000 0.383 0.000 0.963 16 F CB 1.446 40.595 39.000 0.248 0.000 1.217 16 F HN 0.953 nan 8.300 nan 0.000 0.441 17 G N 2.005 111.005 108.800 0.334 0.000 3.016 17 G HA2 0.643 4.604 3.960 0.001 0.000 0.270 17 G HA3 0.643 4.604 3.960 0.001 0.000 0.270 17 G C -1.244 173.526 174.900 -0.216 0.000 1.352 17 G CA -0.635 44.571 45.100 0.176 0.000 1.060 17 G HN 0.638 nan 8.290 nan 0.000 0.538 18 T N -2.269 111.993 114.554 -0.487 0.000 2.762 18 T HA 0.615 4.966 4.350 0.001 0.000 0.301 18 T C -1.295 173.120 174.700 -0.474 0.000 1.299 18 T CA 0.220 61.916 62.100 -0.674 0.000 1.005 18 T CB 1.289 69.306 68.868 -1.418 0.000 1.377 18 T HN 1.318 nan 8.240 nan 0.000 0.504 19 A N 2.565 125.046 122.820 -0.565 0.000 2.260 19 A HA 0.708 5.028 4.320 0.001 0.000 0.314 19 A C -0.456 176.829 177.584 -0.498 0.000 1.257 19 A CA -0.601 50.992 52.037 -0.741 0.000 0.871 19 A CB 0.085 18.108 19.000 -1.628 0.000 1.166 19 A HN 0.649 nan 8.150 nan 0.000 0.522 20 I N 2.284 122.645 120.570 -0.348 0.000 2.336 20 I HA 0.413 4.583 4.170 0.001 0.000 0.292 20 I C 0.665 176.664 176.117 -0.198 0.000 0.991 20 I CA -0.208 60.967 61.300 -0.208 0.000 1.227 20 I CB 1.224 39.097 38.000 -0.211 0.000 1.366 20 I HN 0.704 nan 8.210 nan 0.000 0.466 21 A N 4.569 127.285 122.820 -0.173 0.000 2.252 21 A HA 0.402 4.723 4.320 0.001 0.000 0.309 21 A C 1.211 178.646 177.584 -0.248 0.000 1.285 21 A CA -0.190 51.718 52.037 -0.215 0.000 0.900 21 A CB 0.451 19.299 19.000 -0.253 0.000 1.157 21 A HN 0.856 nan 8.150 nan 0.000 0.536 22 S N 2.825 118.427 115.700 -0.163 0.000 2.392 22 S HA -0.183 4.287 4.470 0.001 0.000 0.232 22 S C 1.813 176.309 174.600 -0.174 0.000 1.041 22 S CA 1.800 59.915 58.200 -0.142 0.000 1.026 22 S CB -0.761 62.409 63.200 -0.050 0.000 0.845 22 S HN 1.189 nan 8.310 nan 0.000 0.465 23 G N 1.303 109.999 108.800 -0.174 0.000 2.471 23 G HA2 -0.054 3.907 3.960 0.001 0.000 0.219 23 G HA3 -0.054 3.907 3.960 0.001 0.000 0.219 23 G C 1.444 176.191 174.900 -0.255 0.000 1.125 23 G CA 0.443 45.441 45.100 -0.171 0.000 0.775 23 G HN 0.596 nan 8.290 nan 0.000 0.548 24 K N -0.202 119.940 120.400 -0.430 0.000 2.404 24 K HA 0.307 4.628 4.320 0.001 0.000 0.194 24 K C 1.829 178.124 176.600 -0.507 0.000 1.023 24 K CA -0.300 55.597 56.287 -0.650 0.000 1.094 24 K CB 0.148 31.818 32.500 -1.383 0.000 0.841 24 K HN 0.261 nan 8.250 nan 0.000 0.523 25 L N 0.219 121.229 121.223 -0.355 0.000 2.549 25 L HA -0.065 4.276 4.340 0.001 0.000 0.229 25 L C 1.814 178.617 176.870 -0.111 0.000 1.158 25 L CA 0.774 55.455 54.840 -0.266 0.000 0.842 25 L CB -0.211 41.637 42.059 -0.351 0.000 0.952 25 L HN 0.253 nan 8.230 nan 0.000 0.452 26 G N -1.677 107.061 108.800 -0.103 0.000 3.088 26 G HA2 -0.088 3.873 3.960 0.001 0.000 0.217 26 G HA3 -0.088 3.873 3.960 0.001 0.000 0.217 26 G C 0.016 174.901 174.900 -0.025 0.000 1.159 26 G CA -0.170 44.905 45.100 -0.041 0.000 0.760 26 G HN 0.154 nan 8.290 nan 0.000 0.550 27 D N 0.879 121.259 120.400 -0.035 0.000 2.443 27 D HA 0.224 4.865 4.640 0.001 0.000 0.221 27 D C 1.864 178.205 176.300 0.068 0.000 1.097 27 D CA -0.065 53.936 54.000 0.002 0.000 0.865 27 D CB 1.209 41.989 40.800 -0.034 0.000 1.034 27 D HN 0.060 nan 8.370 nan 0.000 0.511 28 S N 3.044 118.776 115.700 0.054 0.000 2.387 28 S HA -0.254 4.216 4.470 0.001 0.000 0.230 28 S C 2.048 176.684 174.600 0.059 0.000 1.035 28 S CA 0.989 59.228 58.200 0.064 0.000 1.014 28 S CB -0.359 62.867 63.200 0.043 0.000 0.836 28 S HN 0.458 nan 8.310 nan 0.000 0.466 29 A N 0.621 123.472 122.820 0.051 0.000 1.933 29 A HA -0.027 4.294 4.320 0.001 0.000 0.218 29 A C 2.032 179.639 177.584 0.038 0.000 1.175 29 A CA 1.521 53.577 52.037 0.032 0.000 0.628 29 A CB -1.113 17.906 19.000 0.031 0.000 0.814 29 A HN 0.680 nan 8.150 nan 0.000 0.444 30 Y N 1.547 121.811 120.300 -0.060 0.000 2.109 30 Y HA -0.201 4.350 4.550 0.001 0.000 0.285 30 Y C 2.953 178.813 175.900 -0.066 0.000 1.131 30 Y CA 2.677 60.726 58.100 -0.085 0.000 1.121 30 Y CB -0.657 37.740 38.460 -0.106 0.000 0.987 30 Y HN 0.419 nan 8.280 nan 0.000 0.495 31 T N -3.450 111.182 114.554 0.131 0.000 2.881 31 T HA -0.147 4.203 4.350 0.001 0.000 0.270 31 T C 1.765 176.532 174.700 0.111 0.000 1.068 31 T CA 1.694 63.875 62.100 0.135 0.000 1.131 31 T CB -0.967 68.051 68.868 0.250 0.000 0.871 31 T HN 0.342 nan 8.240 nan 0.000 0.479 32 T N 1.930 116.504 114.554 0.033 0.000 2.777 32 T HA 0.138 4.488 4.350 0.001 0.000 0.266 32 T C 1.854 176.510 174.700 -0.074 0.000 1.040 32 T CA 1.228 63.326 62.100 -0.003 0.000 1.141 32 T CB -0.362 68.495 68.868 -0.018 0.000 0.868 32 T HN 0.421 nan 8.240 nan 0.000 0.444 33 I N 1.164 121.629 120.570 -0.175 0.000 2.133 33 I HA -0.121 4.050 4.170 0.001 0.000 0.238 33 I C 2.963 178.938 176.117 -0.236 0.000 1.074 33 I CA 1.074 62.173 61.300 -0.335 0.000 1.342 33 I CB -0.563 37.073 38.000 -0.607 0.000 1.053 33 I HN 0.166 nan 8.210 nan 0.000 0.404 34 A N 1.074 123.806 122.820 -0.146 0.000 1.892 34 A HA -0.270 4.051 4.320 0.001 0.000 0.218 34 A C 2.498 180.290 177.584 0.346 0.000 1.188 34 A CA 2.648 54.787 52.037 0.170 0.000 0.631 34 A CB -1.039 17.913 19.000 -0.080 0.000 0.822 34 A HN 0.556 nan 8.150 nan 0.000 0.447 35 S N -0.601 115.276 115.700 0.295 0.000 2.423 35 S HA -0.168 4.303 4.470 0.001 0.000 0.231 35 S C 2.008 176.611 174.600 0.005 0.000 1.014 35 S CA 1.238 59.511 58.200 0.122 0.000 0.965 35 S CB -0.368 62.867 63.200 0.059 0.000 0.785 35 S HN 0.660 nan 8.310 nan 0.000 0.495 36 R N 0.997 121.481 120.500 -0.027 0.000 2.080 36 R HA 0.066 4.406 4.340 0.001 0.000 0.222 36 R C 1.755 177.982 176.300 -0.121 0.000 1.107 36 R CA 1.175 57.231 56.100 -0.073 0.000 0.980 36 R CB -0.049 30.202 30.300 -0.082 0.000 0.879 36 R HN 0.345 nan 8.270 nan 0.000 0.439 37 E N -0.286 119.758 120.200 -0.261 0.000 2.318 37 E HA 0.019 4.369 4.350 0.001 0.000 0.193 37 E C -0.277 175.974 176.600 -0.582 0.000 0.998 37 E CA 0.514 56.612 56.400 -0.503 0.000 0.859 37 E CB 0.268 29.469 29.700 -0.831 0.000 0.812 37 E HN 0.146 nan 8.360 nan 0.000 0.492 38 F N 1.366 121.390 119.950 0.124 0.000 2.522 38 F HA 0.255 4.782 4.527 0.001 0.000 0.324 38 F C 0.881 176.739 175.800 0.097 0.000 1.077 38 F CA -1.200 56.900 58.000 0.166 0.000 0.944 38 F CB 0.976 40.081 39.000 0.176 0.000 1.175 38 F HN -0.194 nan 8.300 nan 0.000 0.468 39 N N 0.757 119.640 118.700 0.305 0.000 2.238 39 N HA 0.341 5.081 4.740 0.001 0.000 0.235 39 N C -0.696 174.857 175.510 0.072 0.000 1.209 39 N CA -0.097 53.041 53.050 0.146 0.000 0.879 39 N CB 0.766 39.327 38.487 0.124 0.000 1.136 39 N HN 0.570 nan 8.380 nan 0.000 0.517 40 M N 0.446 120.092 119.600 0.077 0.000 2.378 40 M HA 0.571 5.051 4.480 0.001 0.000 0.289 40 M C -2.173 174.077 176.300 -0.083 0.000 1.136 40 M CA -0.831 54.390 55.300 -0.132 0.000 0.917 40 M CB 2.393 34.729 32.600 -0.440 0.000 1.669 40 M HN -0.157 nan 8.290 nan 0.000 0.461 41 V N 2.849 122.689 119.914 -0.123 0.000 2.789 41 V HA 0.805 4.926 4.120 0.001 0.000 0.311 41 V C -0.757 175.248 176.094 -0.149 0.000 1.073 41 V CA -0.543 61.699 62.300 -0.096 0.000 0.921 41 V CB 2.575 34.414 31.823 0.026 0.000 1.009 41 V HN 0.890 nan 8.190 nan 0.000 0.426 42 T N 3.186 117.637 114.554 -0.172 0.000 2.848 42 T HA 0.631 4.982 4.350 0.001 0.000 0.285 42 T C -0.051 174.545 174.700 -0.173 0.000 0.995 42 T CA -0.287 61.717 62.100 -0.159 0.000 0.970 42 T CB 1.644 70.443 68.868 -0.115 0.000 0.976 42 T HN 0.957 nan 8.240 nan 0.000 0.441 43 A N 2.139 124.907 122.820 -0.087 0.000 2.444 43 A HA 0.258 4.578 4.320 0.001 0.000 0.273 43 A C 1.395 178.956 177.584 -0.038 0.000 1.136 43 A CA -0.297 51.708 52.037 -0.053 0.000 0.799 43 A CB -0.104 18.912 19.000 0.027 0.000 1.081 43 A HN 1.066 nan 8.150 nan 0.000 0.509 44 E N 2.274 122.367 120.200 -0.178 0.000 2.160 44 E HA -0.206 4.145 4.350 0.001 0.000 0.195 44 E C 0.646 177.331 176.600 0.143 0.000 0.991 44 E CA 1.885 58.163 56.400 -0.203 0.000 0.810 44 E CB 0.083 29.578 29.700 -0.341 0.000 0.742 44 E HN 0.808 nan 8.360 nan 0.000 0.466 45 N N -1.496 117.280 118.700 0.128 0.000 1.921 45 N HA -0.030 4.711 4.740 0.001 0.000 0.237 45 N C 0.620 176.232 175.510 0.171 0.000 1.352 45 N CA 0.198 53.360 53.050 0.186 0.000 0.805 45 N CB 0.225 38.795 38.487 0.138 0.000 1.159 45 N HN -0.025 nan 8.380 nan 0.000 0.473 46 E N 0.817 121.100 120.200 0.138 0.000 2.331 46 E HA 0.059 4.409 4.350 0.001 0.000 0.199 46 E C 1.080 177.822 176.600 0.237 0.000 1.008 46 E CA 0.993 57.490 56.400 0.161 0.000 0.843 46 E CB -0.032 29.749 29.700 0.134 0.000 0.761 46 E HN 0.362 nan 8.360 nan 0.000 0.507 47 M N -0.154 119.598 119.600 0.252 0.000 2.484 47 M HA 0.156 4.637 4.480 0.001 0.000 0.307 47 M C -0.127 176.393 176.300 0.367 0.000 1.149 47 M CA -0.099 55.407 55.300 0.343 0.000 0.972 47 M CB 0.643 33.404 32.600 0.268 0.000 1.400 47 M HN -0.166 nan 8.290 nan 0.000 0.508 48 K N 0.448 121.023 120.400 0.292 0.000 2.120 48 K HA 0.320 4.641 4.320 0.001 0.000 0.245 48 K C 1.095 177.865 176.600 0.284 0.000 1.024 48 K CA -0.358 56.089 56.287 0.267 0.000 0.906 48 K CB 1.348 33.993 32.500 0.240 0.000 1.051 48 K HN 0.066 nan 8.250 nan 0.000 0.491 49 I N 1.311 121.999 120.570 0.197 0.000 2.091 49 I HA -0.357 3.813 4.170 0.001 0.000 0.239 49 I C 1.988 178.119 176.117 0.023 0.000 1.061 49 I CA 1.715 63.023 61.300 0.013 0.000 1.317 49 I CB -0.572 37.262 38.000 -0.277 0.000 1.031 49 I HN 0.750 nan 8.210 nan 0.000 0.401 50 D N 1.608 121.986 120.400 -0.036 0.000 2.218 50 D HA -0.168 4.472 4.640 0.001 0.000 0.204 50 D C 1.870 178.201 176.300 0.053 0.000 0.976 50 D CA 1.519 55.497 54.000 -0.037 0.000 0.853 50 D CB -0.320 40.433 40.800 -0.078 0.000 0.939 50 D HN 0.384 nan 8.370 nan 0.000 0.481 51 A N 0.178 123.062 122.820 0.107 0.000 2.021 51 A HA 0.044 4.365 4.320 0.001 0.000 0.216 51 A C 2.209 179.882 177.584 0.147 0.000 1.163 51 A CA 1.556 53.667 52.037 0.123 0.000 0.676 51 A CB -0.523 18.565 19.000 0.147 0.000 0.818 51 A HN 0.418 nan 8.150 nan 0.000 0.453 52 T N -3.794 110.898 114.554 0.229 0.000 3.014 52 T HA 0.233 4.584 4.350 0.001 0.000 0.250 52 T C 0.507 175.302 174.700 0.159 0.000 1.060 52 T CA 0.614 62.851 62.100 0.229 0.000 1.040 52 T CB 0.170 69.314 68.868 0.459 0.000 0.971 52 T HN 0.370 nan 8.240 nan 0.000 0.497 53 E N 1.839 122.153 120.200 0.190 0.000 3.544 53 E HA 0.216 4.566 4.350 0.001 0.000 0.264 53 E C -2.172 174.539 176.600 0.185 0.000 1.225 53 E CA -1.845 54.572 56.400 0.028 0.000 1.045 53 E CB 1.498 31.293 29.700 0.157 0.000 1.338 53 E HN 0.120 nan 8.360 nan 0.000 0.395 54 P HA -0.149 nan 4.420 nan 0.000 0.220 54 P C 0.255 177.731 177.300 0.294 0.000 1.148 54 P CA 0.905 64.103 63.100 0.164 0.000 0.803 54 P CB 0.471 32.200 31.700 0.049 0.000 0.782 55 Q N -0.573 119.253 119.800 0.043 0.000 2.347 55 Q HA 0.364 4.704 4.340 0.001 0.000 0.271 55 Q C -0.554 175.037 176.000 -0.682 0.000 1.064 55 Q CA -0.913 54.681 55.803 -0.348 0.000 0.800 55 Q CB 1.745 30.317 28.738 -0.276 0.000 1.304 55 Q HN -0.174 nan 8.270 nan 0.000 0.438 56 R N 1.836 121.413 120.500 -1.539 0.000 2.502 56 R HA 0.281 4.622 4.340 0.001 0.000 0.292 56 R C 0.610 176.503 176.300 -0.680 0.000 0.998 56 R CA 1.782 57.070 56.100 -1.353 0.000 1.056 56 R CB -0.284 28.986 30.300 -1.716 0.000 0.939 56 R HN 0.954 nan 8.270 nan 0.000 0.411 57 G N 2.969 111.438 108.800 -0.551 0.000 2.199 57 G HA2 -0.240 3.720 3.960 0.001 0.000 0.254 57 G HA3 -0.240 3.720 3.960 0.001 0.000 0.254 57 G C -0.199 174.494 174.900 -0.345 0.000 0.982 57 G CA 0.049 44.948 45.100 -0.334 0.000 0.632 57 G HN 0.575 nan 8.290 nan 0.000 0.529 58 Q N 0.353 119.859 119.800 -0.489 0.000 2.509 58 Q HA 0.549 4.889 4.340 0.001 0.000 0.236 58 Q C -0.597 175.146 176.000 -0.428 0.000 1.073 58 Q CA -0.334 55.270 55.803 -0.331 0.000 0.867 58 Q CB 0.291 28.877 28.738 -0.252 0.000 1.181 58 Q HN 0.347 nan 8.270 nan 0.000 0.526 59 F N 1.704 121.519 119.950 -0.225 0.000 2.410 59 F HA 0.213 4.741 4.527 0.001 0.000 0.348 59 F C 0.964 176.398 175.800 -0.609 0.000 1.106 59 F CA -0.590 57.116 58.000 -0.489 0.000 1.163 59 F CB 0.802 39.392 39.000 -0.684 0.000 1.129 59 F HN 0.276 nan 8.300 nan 0.000 0.516 60 N N 3.028 121.449 118.700 -0.465 0.000 2.623 60 N HA 0.282 5.022 4.740 0.001 0.000 0.256 60 N C -0.826 174.495 175.510 -0.314 0.000 1.045 60 N CA -0.372 52.492 53.050 -0.309 0.000 0.863 60 N CB 0.121 38.535 38.487 -0.121 0.000 1.182 60 N HN 0.318 nan 8.380 nan 0.000 0.523 61 F N 1.024 120.955 119.950 -0.032 0.000 2.645 61 F HA 0.300 4.828 4.527 0.001 0.000 0.300 61 F C 1.889 177.735 175.800 0.077 0.000 1.115 61 F CA -0.281 57.697 58.000 -0.037 0.000 1.355 61 F CB -0.096 38.603 39.000 -0.502 0.000 1.026 61 F HN 0.364 nan 8.300 nan 0.000 0.536 62 S N 0.965 116.774 115.700 0.183 0.000 2.344 62 S HA -0.233 4.238 4.470 0.001 0.000 0.217 62 S C 2.508 177.221 174.600 0.189 0.000 1.033 62 S CA 1.512 59.812 58.200 0.166 0.000 1.017 62 S CB -0.668 62.591 63.200 0.099 0.000 0.941 62 S HN 0.424 nan 8.310 nan 0.000 0.430 63 A N 1.460 124.377 122.820 0.162 0.000 1.940 63 A HA 0.041 4.362 4.320 0.001 0.000 0.219 63 A C 2.320 180.027 177.584 0.204 0.000 1.176 63 A CA 1.857 53.983 52.037 0.148 0.000 0.631 63 A CB -1.479 17.589 19.000 0.113 0.000 0.814 63 A HN 0.536 nan 8.150 nan 0.000 0.446 64 G N -0.201 108.775 108.800 0.294 0.000 2.421 64 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 64 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 64 G C 1.126 176.286 174.900 0.434 0.000 1.171 64 G CA 1.175 46.502 45.100 0.377 0.000 0.775 64 G HN 0.469 nan 8.290 nan 0.000 0.543 65 D N 0.157 120.852 120.400 0.492 0.000 2.178 65 D HA -0.037 4.604 4.640 0.001 0.000 0.202 65 D C 2.549 179.077 176.300 0.380 0.000 0.974 65 D CA 0.498 54.798 54.000 0.499 0.000 0.841 65 D CB -0.123 40.929 40.800 0.420 0.000 0.953 65 D HN 0.098 nan 8.370 nan 0.000 0.478 66 R N 0.511 121.177 120.500 0.277 0.000 2.083 66 R HA -0.095 4.245 4.340 0.001 0.000 0.237 66 R C 2.249 178.679 176.300 0.216 0.000 1.137 66 R CA 0.760 56.985 56.100 0.209 0.000 0.951 66 R CB -0.623 29.762 30.300 0.141 0.000 0.851 66 R HN 0.037 nan 8.270 nan 0.000 0.434 67 V N -0.248 119.784 119.914 0.197 0.000 2.307 67 V HA -0.235 3.885 4.120 0.001 0.000 0.245 67 V C 1.867 178.092 176.094 0.219 0.000 1.045 67 V CA 1.865 64.265 62.300 0.167 0.000 1.024 67 V CB -0.722 31.156 31.823 0.091 0.000 0.651 67 V HN 0.365 nan 8.190 nan 0.000 0.449 68 Y N 2.085 122.463 120.300 0.129 0.000 2.097 68 Y HA -0.271 4.279 4.550 0.001 0.000 0.282 68 Y C 2.552 178.523 175.900 0.119 0.000 1.152 68 Y CA 2.154 60.308 58.100 0.089 0.000 1.136 68 Y CB -0.478 38.050 38.460 0.114 0.000 0.975 68 Y HN 0.278 nan 8.280 nan 0.000 0.498 69 N N -0.344 118.398 118.700 0.070 0.000 2.069 69 N HA -0.260 4.480 4.740 0.001 0.000 0.191 69 N C 1.656 177.143 175.510 -0.038 0.000 1.031 69 N CA 1.748 54.785 53.050 -0.022 0.000 0.852 69 N CB -1.267 37.316 38.487 0.159 0.000 1.018 69 N HN 0.658 nan 8.380 nan 0.000 0.423 70 W N 2.134 123.390 121.300 -0.073 0.000 2.338 70 W HA -0.138 4.523 4.660 0.001 0.000 0.304 70 W C 2.418 178.874 176.519 -0.105 0.000 1.212 70 W CA 2.365 59.675 57.345 -0.059 0.000 1.264 70 W CB -0.366 29.085 29.460 -0.015 0.000 1.142 70 W HN 0.103 nan 8.180 nan 0.000 0.512 71 A N -0.103 122.756 122.820 0.066 0.000 1.851 71 A HA -0.224 4.096 4.320 0.001 0.000 0.216 71 A C 2.028 179.408 177.584 -0.340 0.000 1.195 71 A CA 2.795 54.755 52.037 -0.128 0.000 0.622 71 A CB -1.363 17.609 19.000 -0.047 0.000 0.831 71 A HN 0.185 nan 8.150 nan 0.000 0.444 72 V N 0.161 119.832 119.914 -0.405 0.000 2.287 72 V HA -0.273 3.847 4.120 0.001 0.000 0.248 72 V C 2.643 178.564 176.094 -0.288 0.000 1.053 72 V CA 2.038 64.119 62.300 -0.365 0.000 1.027 72 V CB -0.887 30.654 31.823 -0.470 0.000 0.646 72 V HN 0.548 nan 8.190 nan 0.000 0.447 73 Q N 0.019 119.642 119.800 -0.295 0.000 2.291 73 Q HA -0.103 4.237 4.340 0.001 0.000 0.206 73 Q C 1.478 177.285 176.000 -0.321 0.000 0.976 73 Q CA 0.934 56.585 55.803 -0.252 0.000 0.875 73 Q CB -0.366 28.246 28.738 -0.209 0.000 0.927 73 Q HN 0.648 nan 8.270 nan 0.000 0.450 74 N N -0.607 117.808 118.700 -0.474 0.000 2.238 74 N HA 0.101 4.842 4.740 0.001 0.000 0.222 74 N C 0.195 175.503 175.510 -0.336 0.000 1.133 74 N CA 0.602 53.349 53.050 -0.505 0.000 0.854 74 N CB 1.173 39.093 38.487 -0.945 0.000 1.041 74 N HN 0.269 nan 8.380 nan 0.000 0.510 75 G N 1.372 110.022 108.800 -0.250 0.000 2.198 75 G HA2 -0.286 3.675 3.960 0.001 0.000 0.257 75 G HA3 -0.286 3.675 3.960 0.001 0.000 0.257 75 G C -0.238 174.583 174.900 -0.133 0.000 1.042 75 G CA 0.276 45.279 45.100 -0.161 0.000 0.791 75 G HN 0.268 nan 8.290 nan 0.000 0.502 76 K N -0.153 120.147 120.400 -0.165 0.000 2.316 76 K HA 0.598 4.919 4.320 0.001 0.000 0.251 76 K C 0.569 177.091 176.600 -0.130 0.000 0.934 76 K CA -0.687 55.532 56.287 -0.113 0.000 0.802 76 K CB 1.741 34.191 32.500 -0.083 0.000 1.171 76 K HN 0.331 nan 8.250 nan 0.000 0.426 77 Q N 0.470 120.197 119.800 -0.121 0.000 2.308 77 Q HA 0.518 4.859 4.340 0.001 0.000 0.207 77 Q C -0.665 175.234 176.000 -0.168 0.000 1.035 77 Q CA -0.845 54.876 55.803 -0.138 0.000 1.008 77 Q CB 1.256 29.904 28.738 -0.151 0.000 1.168 77 Q HN 0.232 nan 8.270 nan 0.000 0.565 78 V N 0.776 120.589 119.914 -0.168 0.000 2.709 78 V HA 0.403 4.523 4.120 0.001 0.000 0.308 78 V C -0.862 175.059 176.094 -0.288 0.000 1.062 78 V CA -0.798 61.384 62.300 -0.197 0.000 0.901 78 V CB 2.031 33.785 31.823 -0.115 0.000 1.003 78 V HN 0.635 nan 8.190 nan 0.000 0.425 79 R N 2.410 122.725 120.500 -0.307 0.000 2.265 79 R HA 0.555 4.896 4.340 0.001 0.000 0.328 79 R C 0.323 176.348 176.300 -0.459 0.000 0.969 79 R CA -0.472 55.428 56.100 -0.334 0.000 0.832 79 R CB 1.808 31.980 30.300 -0.213 0.000 1.139 79 R HN 0.906 nan 8.270 nan 0.000 0.457 80 G N 1.693 109.960 108.800 -0.888 0.000 2.380 80 G HA2 0.131 4.092 3.960 0.001 0.000 0.262 80 G HA3 0.131 4.092 3.960 0.001 0.000 0.262 80 G C -0.843 173.845 174.900 -0.353 0.000 1.243 80 G CA 0.079 44.334 45.100 -1.407 0.000 0.865 80 G HN 0.652 nan 8.290 nan 0.000 0.513 81 H N 0.095 119.099 119.070 -0.111 0.000 3.096 81 H HA 0.594 5.150 4.556 0.001 0.000 0.335 81 H C -0.741 174.728 175.328 0.235 0.000 0.990 81 H CA -0.291 55.822 56.048 0.108 0.000 1.393 81 H CB 2.022 31.806 29.762 0.038 0.000 1.742 81 H HN 0.642 nan 8.280 nan 0.000 0.501 82 T N 4.376 118.907 114.554 -0.038 0.000 2.868 82 T HA 0.293 4.644 4.350 0.001 0.000 0.306 82 T C 0.526 175.336 174.700 0.183 0.000 1.224 82 T CA -0.665 61.419 62.100 -0.026 0.000 1.012 82 T CB 1.150 69.681 68.868 -0.562 0.000 1.221 82 T HN 0.560 nan 8.240 nan 0.000 0.499 83 L N 1.703 123.022 121.223 0.160 0.000 2.202 83 L HA 0.528 4.869 4.340 0.001 0.000 0.205 83 L C 1.206 178.201 176.870 0.209 0.000 1.083 83 L CA 0.273 55.206 54.840 0.155 0.000 0.790 83 L CB -0.079 41.934 42.059 -0.077 0.000 0.942 83 L HN 0.670 nan 8.230 nan 0.000 0.452 84 A N -0.927 122.009 122.820 0.193 0.000 2.375 84 A HA 0.527 4.848 4.320 0.001 0.000 0.291 84 A C -1.975 175.871 177.584 0.438 0.000 1.160 84 A CA -0.190 52.023 52.037 0.294 0.000 0.747 84 A CB 0.687 19.913 19.000 0.375 0.000 1.170 84 A HN 0.190 nan 8.150 nan 0.000 0.458 85 W N 4.101 125.462 121.300 0.102 0.000 3.296 85 W HA 0.400 5.061 4.660 0.001 0.000 0.314 85 W C 0.630 177.151 176.519 0.002 0.000 1.238 85 W CA -0.910 56.500 57.345 0.109 0.000 1.193 85 W CB 0.964 30.422 29.460 -0.002 0.000 1.383 85 W HN 0.792 nan 8.180 nan 0.000 0.545 86 H N 1.067 120.155 119.070 0.030 0.000 2.495 86 H HA 0.125 4.681 4.556 0.001 0.000 0.287 86 H C 0.216 175.249 175.328 -0.492 0.000 1.033 86 H CA 1.039 56.952 56.048 -0.224 0.000 1.307 86 H CB -0.119 29.577 29.762 -0.110 0.000 1.401 86 H HN 0.104 nan 8.280 nan 0.000 0.555 87 S N 0.043 114.670 115.700 -1.789 0.000 2.654 87 S HA 0.179 4.650 4.470 0.001 0.000 0.283 87 S C 0.027 173.839 174.600 -1.312 0.000 1.180 87 S CA -0.437 56.736 58.200 -1.711 0.000 1.021 87 S CB 0.802 62.676 63.200 -2.209 0.000 1.018 87 S HN 0.547 nan 8.310 nan 0.000 0.532 88 Q N 0.724 120.041 119.800 -0.806 0.000 2.453 88 Q HA -0.204 4.136 4.340 0.001 0.000 0.294 88 Q C -0.695 175.109 176.000 -0.326 0.000 1.295 88 Q CA 0.731 56.266 55.803 -0.447 0.000 0.853 88 Q CB -1.220 27.332 28.738 -0.311 0.000 1.193 88 Q HN 0.671 nan 8.270 nan 0.000 0.461 89 Q N -0.178 119.397 119.800 -0.374 0.000 2.214 89 Q HA 0.493 4.833 4.340 0.001 0.000 0.251 89 Q C -2.306 173.454 176.000 -0.400 0.000 0.936 89 Q CA -2.161 53.407 55.803 -0.391 0.000 0.894 89 Q CB 0.867 29.344 28.738 -0.434 0.000 1.252 89 Q HN 0.002 nan 8.270 nan 0.000 0.448 90 P HA -0.083 nan 4.420 nan 0.000 0.269 90 P C 0.642 177.654 177.300 -0.482 0.000 1.217 90 P CA 0.222 63.035 63.100 -0.478 0.000 0.783 90 P CB 0.440 31.723 31.700 -0.696 0.000 0.898 91 G N 1.630 110.296 108.800 -0.224 0.000 2.469 91 G HA2 -0.237 3.724 3.960 0.001 0.000 0.220 91 G HA3 -0.237 3.724 3.960 0.001 0.000 0.220 91 G C 1.222 176.063 174.900 -0.098 0.000 1.136 91 G CA 0.403 45.424 45.100 -0.131 0.000 0.759 91 G HN 0.727 nan 8.290 nan 0.000 0.562 92 W N -0.120 121.133 121.300 -0.078 0.000 2.388 92 W HA 0.077 4.738 4.660 0.001 0.000 0.294 92 W C 2.084 178.556 176.519 -0.079 0.000 1.212 92 W CA 0.945 58.245 57.345 -0.075 0.000 1.271 92 W CB -0.847 28.567 29.460 -0.078 0.000 1.126 92 W HN 0.271 nan 8.180 nan 0.000 0.535 93 M N 1.520 120.638 119.600 -0.804 0.000 2.288 93 M HA -0.123 4.358 4.480 0.001 0.000 0.266 93 M C 2.188 178.272 176.300 -0.361 0.000 1.072 93 M CA 1.564 56.428 55.300 -0.727 0.000 1.132 93 M CB -0.252 31.602 32.600 -1.244 0.000 1.386 93 M HN 0.003 nan 8.290 nan 0.000 0.432 94 Q N -0.293 119.309 119.800 -0.331 0.000 2.437 94 Q HA -0.105 4.236 4.340 0.001 0.000 0.210 94 Q C 1.805 177.726 176.000 -0.131 0.000 0.972 94 Q CA 1.589 57.260 55.803 -0.219 0.000 0.903 94 Q CB -0.006 28.610 28.738 -0.203 0.000 0.967 94 Q HN 0.675 nan 8.270 nan 0.000 0.486 95 S N -0.948 114.699 115.700 -0.087 0.000 2.502 95 S HA 0.151 4.622 4.470 0.001 0.000 0.215 95 S C 0.803 175.390 174.600 -0.020 0.000 1.009 95 S CA -0.382 57.796 58.200 -0.037 0.000 0.908 95 S CB 0.097 63.298 63.200 0.001 0.000 0.801 95 S HN 0.105 nan 8.310 nan 0.000 0.505 96 L N 2.802 124.016 121.223 -0.015 0.000 2.472 96 L HA 0.511 4.851 4.340 0.001 0.000 0.260 96 L C 0.555 177.405 176.870 -0.033 0.000 1.209 96 L CA -0.192 54.651 54.840 0.005 0.000 0.817 96 L CB 0.747 42.835 42.059 0.048 0.000 1.106 96 L HN 0.509 nan 8.230 nan 0.000 0.479 97 S N -0.732 114.956 115.700 -0.021 0.000 2.636 97 S HA 0.724 5.194 4.470 0.001 0.000 0.268 97 S C -0.051 174.537 174.600 -0.021 0.000 1.159 97 S CA -0.342 57.835 58.200 -0.038 0.000 0.815 97 S CB 1.111 64.288 63.200 -0.038 0.000 1.130 97 S HN 1.200 nan 8.310 nan 0.000 0.471 98 G N 2.209 110.992 108.800 -0.028 0.000 2.632 98 G HA2 -0.362 3.599 3.960 0.001 0.000 0.322 98 G HA3 -0.362 3.599 3.960 0.001 0.000 0.322 98 G C 1.246 176.150 174.900 0.007 0.000 1.326 98 G CA 2.206 47.300 45.100 -0.009 0.000 0.986 98 G HN 2.240 nan 8.290 nan 0.000 0.541 99 S N -0.606 115.104 115.700 0.017 0.000 2.372 99 S HA -0.246 4.224 4.470 0.001 0.000 0.227 99 S C 2.550 177.171 174.600 0.034 0.000 1.044 99 S CA 3.874 62.091 58.200 0.028 0.000 1.050 99 S CB -1.599 61.616 63.200 0.025 0.000 0.901 99 S HN 2.151 nan 8.310 nan 0.000 0.447 100 T N 1.067 115.639 114.554 0.031 0.000 2.708 100 T HA -0.050 4.301 4.350 0.001 0.000 0.266 100 T C 1.777 176.514 174.700 0.061 0.000 1.037 100 T CA 1.252 63.380 62.100 0.045 0.000 1.146 100 T CB -0.902 67.992 68.868 0.043 0.000 0.865 100 T HN 0.277 nan 8.240 nan 0.000 0.435 101 L N 1.646 122.893 121.223 0.039 0.000 2.012 101 L HA 0.099 4.440 4.340 0.001 0.000 0.210 101 L C 2.739 179.632 176.870 0.039 0.000 1.073 101 L CA 1.908 56.763 54.840 0.026 0.000 0.748 101 L CB -1.097 40.941 42.059 -0.035 0.000 0.891 101 L HN 0.206 nan 8.230 nan 0.000 0.431 102 R N -0.387 120.136 120.500 0.038 0.000 2.103 102 R HA -0.237 4.104 4.340 0.001 0.000 0.242 102 R C 2.341 178.694 176.300 0.090 0.000 1.142 102 R CA 1.982 58.123 56.100 0.068 0.000 0.960 102 R CB -0.729 29.614 30.300 0.071 0.000 0.858 102 R HN 0.571 nan 8.270 nan 0.000 0.439 103 Q N -0.340 119.510 119.800 0.083 0.000 2.079 103 Q HA 0.072 4.413 4.340 0.001 0.000 0.200 103 Q C 1.899 177.975 176.000 0.127 0.000 0.974 103 Q CA 2.133 57.991 55.803 0.092 0.000 0.840 103 Q CB -0.505 28.277 28.738 0.074 0.000 0.898 103 Q HN 0.395 nan 8.270 nan 0.000 0.430 104 A N 0.574 123.484 122.820 0.150 0.000 1.902 104 A HA -0.205 4.116 4.320 0.001 0.000 0.217 104 A C 2.158 179.882 177.584 0.234 0.000 1.181 104 A CA 1.764 53.940 52.037 0.232 0.000 0.623 104 A CB -0.778 18.414 19.000 0.319 0.000 0.818 104 A HN 0.621 nan 8.150 nan 0.000 0.443 105 M N -0.192 119.505 119.600 0.162 0.000 2.065 105 M HA -0.167 4.313 4.480 0.001 0.000 0.259 105 M C 1.777 178.194 176.300 0.196 0.000 1.069 105 M CA 2.072 57.472 55.300 0.167 0.000 1.110 105 M CB -0.355 32.331 32.600 0.143 0.000 1.328 105 M HN 0.339 nan 8.290 nan 0.000 0.405 106 I N 1.111 121.774 120.570 0.155 0.000 2.127 106 I HA -0.316 3.855 4.170 0.001 0.000 0.241 106 I C 2.032 178.230 176.117 0.136 0.000 1.075 106 I CA 1.655 63.027 61.300 0.121 0.000 1.334 106 I CB -2.064 35.993 38.000 0.095 0.000 1.040 106 I HN 0.357 nan 8.210 nan 0.000 0.405 107 D N -0.166 120.340 120.400 0.176 0.000 2.104 107 D HA -0.252 4.389 4.640 0.001 0.000 0.194 107 D C 2.124 178.611 176.300 0.312 0.000 0.994 107 D CA 1.797 55.925 54.000 0.214 0.000 0.830 107 D CB -0.580 40.356 40.800 0.228 0.000 0.959 107 D HN 0.467 nan 8.370 nan 0.000 0.452 108 H N 0.835 120.082 119.070 0.295 0.000 2.290 108 H HA -0.067 4.489 4.556 0.001 0.000 0.298 108 H C 2.268 177.711 175.328 0.191 0.000 1.087 108 H CA 1.487 57.764 56.048 0.382 0.000 1.291 108 H CB -0.430 29.506 29.762 0.290 0.000 1.369 108 H HN 0.065 nan 8.280 nan 0.000 0.492 109 I N 0.305 120.945 120.570 0.117 0.000 2.194 109 I HA -0.341 3.829 4.170 0.001 0.000 0.246 109 I C 1.987 177.999 176.117 -0.174 0.000 1.093 109 I CA 1.376 62.626 61.300 -0.084 0.000 1.355 109 I CB -0.344 37.626 38.000 -0.051 0.000 1.046 109 I HN 0.429 nan 8.210 nan 0.000 0.413 110 N N 1.017 119.664 118.700 -0.087 0.000 2.142 110 N HA -0.103 4.637 4.740 0.001 0.000 0.186 110 N C 1.901 177.287 175.510 -0.207 0.000 1.023 110 N CA 1.575 54.556 53.050 -0.115 0.000 0.852 110 N CB -0.656 37.807 38.487 -0.041 0.000 0.998 110 N HN 0.423 nan 8.380 nan 0.000 0.424 111 G N 1.364 109.992 108.800 -0.286 0.000 2.453 111 G HA2 -0.185 3.776 3.960 0.001 0.000 0.215 111 G HA3 -0.185 3.776 3.960 0.001 0.000 0.215 111 G C 1.751 176.321 174.900 -0.551 0.000 1.201 111 G CA 1.061 45.731 45.100 -0.716 0.000 0.784 111 G HN 0.178 nan 8.290 nan 0.000 0.545 112 V N 1.080 120.755 119.914 -0.399 0.000 2.261 112 V HA -0.196 3.925 4.120 0.001 0.000 0.246 112 V C 2.914 178.918 176.094 -0.150 0.000 1.047 112 V CA 2.152 64.379 62.300 -0.121 0.000 1.015 112 V CB -0.519 31.266 31.823 -0.063 0.000 0.642 112 V HN 0.340 nan 8.190 nan 0.000 0.446 113 M N 0.290 119.709 119.600 -0.302 0.000 2.213 113 M HA -0.066 4.415 4.480 0.001 0.000 0.263 113 M C 2.236 178.452 176.300 -0.139 0.000 1.062 113 M CA 1.821 56.977 55.300 -0.241 0.000 1.105 113 M CB -0.795 31.564 32.600 -0.402 0.000 1.385 113 M HN 0.528 nan 8.290 nan 0.000 0.417 114 G N -0.725 107.955 108.800 -0.200 0.000 2.433 114 G HA2 -0.292 3.669 3.960 0.001 0.000 0.216 114 G HA3 -0.292 3.669 3.960 0.001 0.000 0.216 114 G C 1.169 175.925 174.900 -0.239 0.000 1.186 114 G CA 1.334 46.325 45.100 -0.181 0.000 0.779 114 G HN 0.467 nan 8.290 nan 0.000 0.543 115 H N -0.468 118.295 119.070 -0.512 0.000 2.387 115 H HA -0.086 4.471 4.556 0.001 0.000 0.299 115 H C 1.664 176.552 175.328 -0.732 0.000 1.099 115 H CA 1.525 57.091 56.048 -0.805 0.000 1.315 115 H CB -0.160 28.555 29.762 -1.745 0.000 1.380 115 H HN 0.423 nan 8.280 nan 0.000 0.513 116 Y N 0.437 120.498 120.300 -0.398 0.000 2.457 116 Y HA 0.171 4.722 4.550 0.001 0.000 0.263 116 Y C 0.827 176.628 175.900 -0.165 0.000 1.164 116 Y CA -0.210 57.696 58.100 -0.324 0.000 1.274 116 Y CB -0.126 38.314 38.460 -0.033 0.000 1.097 116 Y HN 0.036 nan 8.280 nan 0.000 0.523 117 K N 0.899 121.283 120.400 -0.027 0.000 2.476 117 K HA 0.011 4.331 4.320 0.001 0.000 0.273 117 K C 1.238 177.836 176.600 -0.003 0.000 1.056 117 K CA 1.321 57.609 56.287 0.001 0.000 1.150 117 K CB -0.350 32.119 32.500 -0.052 0.000 0.838 117 K HN 0.607 nan 8.250 nan 0.000 0.486 118 G N 3.635 112.462 108.800 0.045 0.000 2.162 118 G HA2 -0.295 3.665 3.960 0.001 0.000 0.260 118 G HA3 -0.295 3.665 3.960 0.001 0.000 0.260 118 G C 0.472 175.395 174.900 0.038 0.000 0.976 118 G CA 0.742 45.863 45.100 0.035 0.000 0.655 118 G HN 0.740 nan 8.290 nan 0.000 0.533 119 K N -0.837 119.586 120.400 0.040 0.000 2.425 119 K HA 0.343 4.663 4.320 0.001 0.000 0.201 119 K C 0.541 177.180 176.600 0.065 0.000 1.128 119 K CA -0.092 56.230 56.287 0.058 0.000 1.000 119 K CB 0.941 33.382 32.500 -0.098 0.000 0.961 119 K HN 0.319 nan 8.250 nan 0.000 0.555 120 I N 1.364 121.935 120.570 0.003 0.000 2.336 120 I HA 0.186 4.356 4.170 0.001 0.000 0.292 120 I C 1.195 177.259 176.117 -0.089 0.000 0.991 120 I CA -0.172 61.036 61.300 -0.153 0.000 1.227 120 I CB 1.000 38.723 38.000 -0.462 0.000 1.366 120 I HN 0.009 nan 8.210 nan 0.000 0.466 121 A N 6.225 128.975 122.820 -0.117 0.000 1.897 121 A HA -0.030 4.291 4.320 0.001 0.000 0.215 121 A C 0.827 178.389 177.584 -0.036 0.000 1.181 121 A CA 1.069 53.070 52.037 -0.060 0.000 0.620 121 A CB 0.045 18.993 19.000 -0.088 0.000 0.821 121 A HN 0.783 nan 8.150 nan 0.000 0.443 122 Q N -2.814 116.917 119.800 -0.116 0.000 2.331 122 Q HA 0.461 4.801 4.340 0.001 0.000 0.272 122 Q C -2.046 173.885 176.000 -0.114 0.000 1.062 122 Q CA -0.272 55.511 55.803 -0.034 0.000 0.806 122 Q CB 2.130 30.862 28.738 -0.010 0.000 1.312 122 Q HN 0.551 nan 8.270 nan 0.000 0.431 123 W N 1.641 122.959 121.300 0.030 0.000 2.600 123 W HA 0.317 4.978 4.660 0.000 0.000 0.325 123 W C -0.665 175.866 176.519 0.020 0.000 1.034 123 W CA -0.467 56.888 57.345 0.016 0.000 1.226 123 W CB 1.648 31.109 29.460 0.003 0.000 1.379 123 W HN 0.449 nan 8.180 nan 0.000 0.466 124 D N 3.636 124.247 120.400 0.353 0.000 2.453 124 D HA 0.073 4.713 4.640 0.001 0.000 0.223 124 D C 1.116 177.510 176.300 0.156 0.000 1.183 124 D CA 0.190 54.303 54.000 0.189 0.000 0.933 124 D CB 1.304 42.197 40.800 0.155 0.000 1.038 124 D HN 0.106 nan 8.370 nan 0.000 0.513 125 V N 1.838 121.769 119.914 0.029 0.000 2.270 125 V HA -0.122 3.998 4.120 0.001 0.000 0.245 125 V C 1.113 177.123 176.094 -0.140 0.000 1.043 125 V CA 1.041 63.222 62.300 -0.198 0.000 1.014 125 V CB 0.027 31.431 31.823 -0.698 0.000 0.645 125 V HN 0.263 nan 8.190 nan 0.000 0.447 126 V N 0.803 120.656 119.914 -0.101 0.000 2.495 126 V HA 0.490 4.611 4.120 0.001 0.000 0.298 126 V C -0.672 175.414 176.094 -0.013 0.000 1.031 126 V CA -0.650 61.708 62.300 0.096 0.000 0.871 126 V CB 1.634 33.613 31.823 0.260 0.000 0.988 126 V HN 0.494 nan 8.190 nan 0.000 0.432 127 N N 2.265 120.962 118.700 -0.004 0.000 2.314 127 N HA 0.365 5.106 4.740 0.001 0.000 0.294 127 N C -0.441 175.096 175.510 0.045 0.000 1.029 127 N CA -0.533 52.351 53.050 -0.277 0.000 0.845 127 N CB 1.318 39.337 38.487 -0.779 0.000 1.321 127 N HN 0.765 nan 8.380 nan 0.000 0.481 128 E N 1.155 121.375 120.200 0.033 0.000 2.222 128 E HA -0.256 4.095 4.350 0.001 0.000 0.189 128 E C -0.314 176.610 176.600 0.538 0.000 1.415 128 E CA 0.580 57.198 56.400 0.362 0.000 0.689 128 E CB -1.576 28.530 29.700 0.677 0.000 1.107 128 E HN 0.562 nan 8.360 nan 0.000 0.350 129 A N 0.232 123.453 122.820 0.669 0.000 2.251 129 A HA 0.296 4.617 4.320 0.001 0.000 0.209 129 A C 0.087 177.843 177.584 0.288 0.000 1.187 129 A CA 0.307 52.706 52.037 0.604 0.000 0.823 129 A CB 0.223 19.561 19.000 0.563 0.000 0.846 129 A HN 0.253 nan 8.150 nan 0.000 0.486 130 F N -0.245 119.831 119.950 0.210 0.000 2.522 130 F HA 0.486 5.014 4.527 0.001 0.000 0.324 130 F C 0.920 176.753 175.800 0.055 0.000 1.077 130 F CA -0.927 57.136 58.000 0.106 0.000 0.944 130 F CB 1.708 40.754 39.000 0.076 0.000 1.175 130 F HN 0.058 nan 8.300 nan 0.000 0.468 131 S N -0.111 115.699 115.700 0.182 0.000 2.645 131 S HA 0.307 4.777 4.470 0.001 0.000 0.266 131 S C -0.031 174.652 174.600 0.138 0.000 1.258 131 S CA -0.663 57.612 58.200 0.124 0.000 0.990 131 S CB 1.041 64.283 63.200 0.071 0.000 0.967 131 S HN 0.604 nan 8.310 nan 0.000 0.556 132 D N 0.101 120.580 120.400 0.132 0.000 2.395 132 D HA 0.076 4.716 4.640 0.001 0.000 0.213 132 D C 0.538 176.885 176.300 0.079 0.000 1.110 132 D CA 0.362 54.448 54.000 0.143 0.000 0.835 132 D CB -0.006 40.922 40.800 0.213 0.000 0.965 132 D HN 0.794 nan 8.370 nan 0.000 0.505 133 D N 0.146 120.579 120.400 0.056 0.000 2.310 133 D HA -0.040 4.600 4.640 0.001 0.000 0.212 133 D C 1.686 177.975 176.300 -0.019 0.000 0.965 133 D CA 1.156 55.167 54.000 0.018 0.000 0.879 133 D CB -0.107 40.705 40.800 0.018 0.000 0.921 133 D HN 0.198 nan 8.370 nan 0.000 0.510 134 G N -0.601 108.188 108.800 -0.018 0.000 2.201 134 G HA2 -0.323 3.638 3.960 0.001 0.000 0.212 134 G HA3 -0.323 3.638 3.960 0.001 0.000 0.212 134 G C 1.242 176.125 174.900 -0.028 0.000 0.994 134 G CA 0.645 45.709 45.100 -0.061 0.000 0.644 134 G HN 0.616 nan 8.290 nan 0.000 0.508 135 S N 0.052 115.754 115.700 0.003 0.000 2.428 135 S HA 0.355 4.825 4.470 0.001 0.000 0.230 135 S C 2.406 177.028 174.600 0.037 0.000 1.014 135 S CA 1.744 59.951 58.200 0.012 0.000 0.957 135 S CB -0.119 63.090 63.200 0.016 0.000 0.784 135 S HN 2.406 nan 8.310 nan 0.000 0.499 136 G N 0.473 109.319 108.800 0.076 0.000 2.143 136 G HA2 -0.053 3.908 3.960 0.001 0.000 0.249 136 G HA3 -0.053 3.908 3.960 0.001 0.000 0.249 136 G C 0.314 175.349 174.900 0.226 0.000 0.981 136 G CA 0.015 45.196 45.100 0.135 0.000 0.665 136 G HN 1.091 nan 8.290 nan 0.000 0.528 137 G N -0.968 107.917 108.800 0.141 0.000 2.552 137 G HA2 0.639 4.600 3.960 0.001 0.000 0.318 137 G HA3 0.639 4.600 3.960 0.001 0.000 0.318 137 G C 0.187 175.036 174.900 -0.084 0.000 1.240 137 G CA -0.923 44.207 45.100 0.050 0.000 1.002 137 G HN 0.330 nan 8.290 nan 0.000 0.493 138 R N -0.074 120.248 120.500 -0.296 0.000 2.679 138 R HA 0.078 4.418 4.340 0.001 0.000 0.268 138 R C 0.890 177.117 176.300 -0.121 0.000 1.044 138 R CA -0.142 55.735 56.100 -0.372 0.000 1.105 138 R CB 0.386 30.539 30.300 -0.245 0.000 0.989 138 R HN 0.794 nan 8.270 nan 0.000 0.447 139 R N 0.130 120.590 120.500 -0.067 0.000 2.531 139 R HA 0.133 4.473 4.340 0.001 0.000 0.273 139 R C -0.545 175.725 176.300 -0.051 0.000 1.070 139 R CA -0.510 55.568 56.100 -0.038 0.000 1.112 139 R CB 0.451 30.718 30.300 -0.057 0.000 1.049 139 R HN 0.367 nan 8.270 nan 0.000 0.508 140 D N 1.710 122.078 120.400 -0.054 0.000 2.393 140 D HA 0.116 4.756 4.640 0.001 0.000 0.232 140 D C -0.970 175.279 176.300 -0.085 0.000 1.192 140 D CA 0.030 53.995 54.000 -0.058 0.000 0.882 140 D CB 0.557 41.333 40.800 -0.040 0.000 1.038 140 D HN 0.629 nan 8.370 nan 0.000 0.499 141 S N 2.225 117.855 115.700 -0.118 0.000 2.634 141 S HA 0.304 4.775 4.470 0.001 0.000 0.296 141 S C 1.069 175.560 174.600 -0.182 0.000 1.104 141 S CA -0.802 57.315 58.200 -0.138 0.000 0.920 141 S CB 1.221 64.331 63.200 -0.149 0.000 1.111 141 S HN 0.405 nan 8.310 nan 0.000 0.493 142 N N 1.268 119.866 118.700 -0.171 0.000 2.272 142 N HA -0.137 4.603 4.740 0.001 0.000 0.185 142 N C 1.410 176.754 175.510 -0.277 0.000 1.014 142 N CA 1.479 54.421 53.050 -0.180 0.000 0.870 142 N CB -0.717 37.677 38.487 -0.155 0.000 0.975 142 N HN 0.603 nan 8.380 nan 0.000 0.433 143 L N -0.994 119.969 121.223 -0.433 0.000 2.044 143 L HA -0.101 4.239 4.340 0.001 0.000 0.205 143 L C 2.717 178.963 176.870 -1.040 0.000 1.075 143 L CA 1.247 55.615 54.840 -0.786 0.000 0.747 143 L CB -0.508 40.837 42.059 -1.189 0.000 0.903 143 L HN 0.255 nan 8.230 nan 0.000 0.435 144 Q N 0.591 119.902 119.800 -0.815 0.000 2.119 144 Q HA -0.173 4.168 4.340 0.001 0.000 0.201 144 Q C 2.159 178.065 176.000 -0.155 0.000 0.972 144 Q CA 1.516 57.093 55.803 -0.377 0.000 0.847 144 Q CB -0.091 28.628 28.738 -0.033 0.000 0.903 144 Q HN 0.210 nan 8.270 nan 0.000 0.433 145 R N -0.502 119.898 120.500 -0.167 0.000 2.241 145 R HA -0.066 4.274 4.340 0.001 0.000 0.224 145 R C 1.680 177.941 176.300 -0.064 0.000 1.101 145 R CA 1.451 57.498 56.100 -0.087 0.000 0.995 145 R CB -0.255 29.992 30.300 -0.088 0.000 0.870 145 R HN 0.477 nan 8.270 nan 0.000 0.463 146 T N -2.679 111.816 114.554 -0.099 0.000 3.148 146 T HA 0.235 4.586 4.350 0.001 0.000 0.253 146 T C 0.633 175.358 174.700 0.041 0.000 1.134 146 T CA 0.326 62.404 62.100 -0.036 0.000 1.051 146 T CB 0.514 69.351 68.868 -0.052 0.000 0.959 146 T HN 0.313 nan 8.240 nan 0.000 0.525 147 G N 0.948 109.788 108.800 0.068 0.000 2.627 147 G HA2 -0.100 3.861 3.960 0.001 0.000 0.680 147 G HA3 -0.100 3.861 3.960 0.001 0.000 0.680 147 G C -0.092 174.965 174.900 0.261 0.000 1.341 147 G CA -0.323 44.856 45.100 0.131 0.000 0.835 147 G HN 0.172 nan 8.290 nan 0.000 0.643 148 N N 0.270 119.093 118.700 0.204 0.000 2.443 148 N HA -0.098 4.643 4.740 0.001 0.000 0.184 148 N C 1.799 177.431 175.510 0.205 0.000 1.037 148 N CA 1.882 55.065 53.050 0.221 0.000 0.896 148 N CB 0.162 38.712 38.487 0.105 0.000 0.959 148 N HN 0.651 nan 8.380 nan 0.000 0.442 149 D N -0.380 120.140 120.400 0.199 0.000 2.340 149 D HA -0.117 4.524 4.640 0.001 0.000 0.220 149 D C 1.762 178.169 176.300 0.178 0.000 1.039 149 D CA -0.107 53.981 54.000 0.147 0.000 0.866 149 D CB -0.870 39.998 40.800 0.113 0.000 0.913 149 D HN 0.527 nan 8.370 nan 0.000 0.523 150 W N 1.762 123.121 121.300 0.098 0.000 2.335 150 W HA -0.178 4.483 4.660 0.001 0.000 0.311 150 W C 1.661 178.277 176.519 0.163 0.000 1.213 150 W CA 0.336 57.745 57.345 0.107 0.000 1.274 150 W CB -1.309 28.206 29.460 0.090 0.000 1.148 150 W HN -0.099 nan 8.180 nan 0.000 0.498 151 I N 1.451 121.619 120.570 -0.671 0.000 2.118 151 I HA -0.355 3.815 4.170 0.001 0.000 0.241 151 I C 2.813 179.003 176.117 0.122 0.000 1.070 151 I CA 2.461 63.498 61.300 -0.437 0.000 1.327 151 I CB -0.887 36.866 38.000 -0.410 0.000 1.034 151 I HN 0.079 nan 8.210 nan 0.000 0.405 152 E N 0.832 121.071 120.200 0.066 0.000 2.085 152 E HA -0.199 4.152 4.350 0.001 0.000 0.194 152 E C 2.299 178.884 176.600 -0.025 0.000 0.994 152 E CA 1.542 57.851 56.400 -0.151 0.000 0.801 152 E CB 0.149 29.732 29.700 -0.196 0.000 0.743 152 E HN 0.306 nan 8.360 nan 0.000 0.453 153 V N 1.078 121.022 119.914 0.051 0.000 2.358 153 V HA -0.253 3.868 4.120 0.001 0.000 0.246 153 V C 2.445 178.584 176.094 0.074 0.000 1.047 153 V CA 1.723 64.065 62.300 0.071 0.000 1.035 153 V CB -0.780 31.115 31.823 0.120 0.000 0.658 153 V HN 0.410 nan 8.190 nan 0.000 0.452 154 A N -0.441 122.436 122.820 0.094 0.000 1.908 154 A HA -0.211 4.109 4.320 0.001 0.000 0.218 154 A C 2.043 179.561 177.584 -0.110 0.000 1.181 154 A CA 1.961 54.004 52.037 0.010 0.000 0.627 154 A CB -0.727 18.278 19.000 0.007 0.000 0.818 154 A HN 0.479 nan 8.150 nan 0.000 0.445 155 F N -0.343 119.593 119.950 -0.024 0.000 2.206 155 F HA -0.058 4.469 4.527 0.001 0.000 0.298 155 F C 2.586 178.351 175.800 -0.058 0.000 1.090 155 F CA 1.535 59.511 58.000 -0.040 0.000 1.323 155 F CB -0.209 38.736 39.000 -0.091 0.000 1.028 155 F HN 0.099 nan 8.300 nan 0.000 0.492 156 R N -0.479 120.073 120.500 0.088 0.000 2.075 156 R HA -0.111 4.230 4.340 0.001 0.000 0.232 156 R C 2.102 178.412 176.300 0.016 0.000 1.126 156 R CA 1.923 58.041 56.100 0.030 0.000 0.963 156 R CB -1.032 29.267 30.300 -0.001 0.000 0.858 156 R HN 0.199 nan 8.270 nan 0.000 0.435 157 T N 1.150 115.708 114.554 0.006 0.000 2.652 157 T HA -0.185 4.165 4.350 0.001 0.000 0.267 157 T C 2.009 176.686 174.700 -0.040 0.000 1.039 157 T CA 1.505 63.599 62.100 -0.011 0.000 1.153 157 T CB -0.387 68.478 68.868 -0.005 0.000 0.863 157 T HN 0.387 nan 8.240 nan 0.000 0.428 158 A N 2.031 124.809 122.820 -0.069 0.000 1.873 158 A HA -0.223 4.098 4.320 0.001 0.000 0.218 158 A C 2.262 179.822 177.584 -0.041 0.000 1.193 158 A CA 2.408 54.380 52.037 -0.107 0.000 0.629 158 A CB -0.712 18.193 19.000 -0.158 0.000 0.826 158 A HN 0.375 nan 8.150 nan 0.000 0.447 159 R N 0.083 120.593 120.500 0.016 0.000 2.117 159 R HA -0.100 4.240 4.340 0.001 0.000 0.243 159 R C 2.096 178.403 176.300 0.013 0.000 1.143 159 R CA 2.098 58.220 56.100 0.037 0.000 0.968 159 R CB -0.827 29.504 30.300 0.052 0.000 0.863 159 R HN 0.441 nan 8.270 nan 0.000 0.444 160 A N 0.175 122.994 122.820 -0.002 0.000 1.855 160 A HA 0.020 4.340 4.320 0.001 0.000 0.215 160 A C 2.425 179.996 177.584 -0.021 0.000 1.191 160 A CA 1.687 53.719 52.037 -0.008 0.000 0.613 160 A CB -1.226 17.769 19.000 -0.009 0.000 0.829 160 A HN 0.490 nan 8.150 nan 0.000 0.442 161 A N -1.066 121.728 122.820 -0.044 0.000 1.892 161 A HA -0.064 4.256 4.320 0.001 0.000 0.218 161 A C 0.988 178.543 177.584 -0.049 0.000 1.188 161 A CA 2.041 54.038 52.037 -0.067 0.000 0.631 161 A CB -0.257 18.670 19.000 -0.120 0.000 0.822 161 A HN 0.492 nan 8.150 nan 0.000 0.447 162 D N -2.836 117.546 120.400 -0.030 0.000 2.319 162 D HA 0.257 4.898 4.640 0.001 0.000 0.237 162 D C -2.337 173.988 176.300 0.041 0.000 1.353 162 D CA -1.395 52.612 54.000 0.011 0.000 0.992 162 D CB 1.353 42.178 40.800 0.040 0.000 1.368 162 D HN 0.002 nan 8.370 nan 0.000 0.564 163 P HA 0.026 nan 4.420 nan 0.000 0.233 163 P C 0.894 178.230 177.300 0.061 0.000 1.167 163 P CA 0.279 63.407 63.100 0.047 0.000 0.770 163 P CB 0.420 32.139 31.700 0.032 0.000 0.837 164 A N -0.191 122.667 122.820 0.064 0.000 2.169 164 A HA 0.390 4.710 4.320 0.001 0.000 0.212 164 A C 1.421 179.060 177.584 0.091 0.000 1.153 164 A CA 0.371 52.448 52.037 0.067 0.000 0.756 164 A CB -0.593 18.440 19.000 0.055 0.000 0.813 164 A HN 0.283 nan 8.150 nan 0.000 0.471 165 A N 0.400 123.297 122.820 0.128 0.000 2.309 165 A HA 0.532 4.853 4.320 0.001 0.000 0.298 165 A C -0.016 177.671 177.584 0.172 0.000 1.165 165 A CA -0.575 51.565 52.037 0.173 0.000 0.821 165 A CB 0.254 19.446 19.000 0.320 0.000 1.102 165 A HN 0.347 nan 8.150 nan 0.000 0.500 166 K N 1.900 122.392 120.400 0.154 0.000 2.339 166 K HA 0.309 4.629 4.320 0.001 0.000 0.286 166 K C -0.936 175.795 176.600 0.218 0.000 1.050 166 K CA 0.241 56.624 56.287 0.161 0.000 0.956 166 K CB 0.474 33.053 32.500 0.132 0.000 0.990 166 K HN 0.581 nan 8.250 nan 0.000 0.475 167 L N 4.246 125.620 121.223 0.252 0.000 2.264 167 L HA 0.314 4.654 4.340 0.001 0.000 0.289 167 L C -0.305 176.822 176.870 0.427 0.000 1.044 167 L CA -0.877 54.170 54.840 0.346 0.000 0.807 167 L CB 0.812 43.118 42.059 0.412 0.000 1.192 167 L HN 0.661 nan 8.230 nan 0.000 0.425 168 c N 1.888 120.724 118.600 0.394 0.000 2.562 168 c HA 0.464 5.034 4.570 0.001 0.000 0.332 168 c C -0.239 174.132 174.090 0.467 0.000 1.201 168 c CA -0.940 55.599 56.329 0.349 0.000 1.803 168 c CB 1.538 44.150 42.510 0.170 0.000 2.328 168 c HN 0.631 nan 8.230 nan 0.000 0.500 169 Y N 2.446 122.913 120.300 0.278 0.000 2.331 169 Y HA 0.515 5.065 4.550 0.001 0.000 0.338 169 Y C -0.228 175.675 175.900 0.005 0.000 0.976 169 Y CA -0.295 57.961 58.100 0.260 0.000 1.137 169 Y CB 0.421 38.971 38.460 0.150 0.000 1.172 169 Y HN 0.786 nan 8.280 nan 0.000 0.478 170 N N 4.420 122.679 118.700 -0.736 0.000 2.321 170 N HA 0.422 5.162 4.740 0.001 0.000 0.299 170 N C -1.875 173.210 175.510 -0.708 0.000 1.048 170 N CA -0.271 52.425 53.050 -0.589 0.000 0.836 170 N CB 1.208 39.507 38.487 -0.314 0.000 1.269 170 N HN 0.779 nan 8.380 nan 0.000 0.486 171 D N 0.194 120.316 120.400 -0.463 0.000 2.665 171 D HA 0.260 4.901 4.640 0.001 0.000 0.287 171 D C -1.455 174.792 176.300 -0.089 0.000 1.266 171 D CA -0.258 53.596 54.000 -0.242 0.000 0.830 171 D CB 0.918 41.600 40.800 -0.197 0.000 1.356 171 D HN 0.420 nan 8.370 nan 0.000 0.437 172 Y N -0.538 119.739 120.300 -0.038 0.000 2.621 172 Y HA 0.518 5.069 4.550 0.001 0.000 0.334 172 Y C 0.734 176.647 175.900 0.021 0.000 1.074 172 Y CA -0.920 57.167 58.100 -0.022 0.000 1.149 172 Y CB 0.588 39.084 38.460 0.061 0.000 1.302 172 Y HN 0.607 nan 8.280 nan 0.000 0.501 173 N N 0.294 119.009 118.700 0.026 0.000 2.741 173 N HA -0.187 4.553 4.740 0.001 0.000 0.251 173 N C -0.022 175.432 175.510 -0.094 0.000 1.112 173 N CA 0.779 53.776 53.050 -0.087 0.000 0.750 173 N CB -0.530 38.011 38.487 0.090 0.000 1.119 173 N HN 0.708 nan 8.380 nan 0.000 0.561 174 I N -2.575 117.979 120.570 -0.027 0.000 3.762 174 I HA 0.302 4.473 4.170 0.001 0.000 0.333 174 I C 0.516 176.796 176.117 0.271 0.000 1.566 174 I CA 0.188 61.551 61.300 0.105 0.000 1.129 174 I CB 0.167 38.214 38.000 0.077 0.000 1.218 174 I HN -0.081 nan 8.210 nan 0.000 0.456 175 E N 1.099 121.347 120.200 0.080 0.000 2.166 175 E HA 0.091 4.441 4.350 0.001 0.000 0.192 175 E C 0.800 177.467 176.600 0.112 0.000 0.967 175 E CA 0.297 56.754 56.400 0.094 0.000 0.840 175 E CB -0.027 29.483 29.700 -0.316 0.000 0.795 175 E HN 0.368 nan 8.360 nan 0.000 0.470 176 N N 0.816 119.434 118.700 -0.138 0.000 2.411 176 N HA -0.073 4.668 4.740 0.001 0.000 0.259 176 N C 0.090 175.683 175.510 0.138 0.000 1.103 176 N CA -0.040 52.936 53.050 -0.123 0.000 0.954 176 N CB 0.337 38.488 38.487 -0.559 0.000 1.085 176 N HN 0.280 nan 8.380 nan 0.000 0.485 177 W N 3.550 124.878 121.300 0.047 0.000 2.374 177 W HA -0.196 4.464 4.660 0.001 0.000 0.288 177 W C 1.313 177.902 176.519 0.117 0.000 1.218 177 W CA 1.897 59.288 57.345 0.077 0.000 1.245 177 W CB 0.087 29.555 29.460 0.014 0.000 1.126 177 W HN 0.635 nan 8.180 nan 0.000 0.545 178 T N -2.720 111.939 114.554 0.176 0.000 3.035 178 T HA -0.154 4.196 4.350 0.001 0.000 0.268 178 T C 0.308 175.100 174.700 0.154 0.000 1.109 178 T CA 0.138 62.301 62.100 0.106 0.000 1.119 178 T CB -0.699 68.286 68.868 0.195 0.000 0.900 178 T HN -0.055 nan 8.240 nan 0.000 0.503 179 W N 1.540 122.789 121.300 -0.085 0.000 2.216 179 W HA 0.670 5.330 4.660 0.001 0.000 0.326 179 W C 1.596 178.049 176.519 -0.110 0.000 1.319 179 W CA -0.964 56.344 57.345 -0.062 0.000 1.213 179 W CB 0.256 29.713 29.460 -0.004 0.000 1.171 179 W HN 0.208 nan 8.180 nan 0.000 0.557 180 A N 3.335 126.189 122.820 0.056 0.000 1.908 180 A HA -0.245 4.075 4.320 0.001 0.000 0.218 180 A C 2.067 179.682 177.584 0.051 0.000 1.181 180 A CA 1.901 53.940 52.037 0.004 0.000 0.627 180 A CB -0.540 18.447 19.000 -0.021 0.000 0.818 180 A HN 0.727 nan 8.150 nan 0.000 0.445 181 K N -0.839 119.641 120.400 0.133 0.000 2.044 181 K HA -0.171 4.150 4.320 0.001 0.000 0.210 181 K C 2.066 178.673 176.600 0.012 0.000 1.049 181 K CA 2.033 58.390 56.287 0.118 0.000 0.927 181 K CB -0.390 32.222 32.500 0.186 0.000 0.713 181 K HN 0.500 nan 8.250 nan 0.000 0.443 182 T N 1.359 115.966 114.554 0.089 0.000 2.684 182 T HA -0.157 4.193 4.350 0.001 0.000 0.267 182 T C 1.812 176.520 174.700 0.014 0.000 1.036 182 T CA 1.226 63.389 62.100 0.105 0.000 1.148 182 T CB -0.192 68.760 68.868 0.141 0.000 0.863 182 T HN 0.277 nan 8.240 nan 0.000 0.436 183 Q N 0.527 120.241 119.800 -0.144 0.000 2.124 183 Q HA 0.010 4.350 4.340 0.001 0.000 0.202 183 Q C 2.752 178.708 176.000 -0.073 0.000 0.977 183 Q CA 1.598 57.280 55.803 -0.201 0.000 0.850 183 Q CB -1.063 27.524 28.738 -0.251 0.000 0.901 183 Q HN 0.634 nan 8.270 nan 0.000 0.429 184 G N 0.287 109.041 108.800 -0.076 0.000 2.418 184 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 184 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 184 G C 1.603 176.306 174.900 -0.328 0.000 1.158 184 G CA 1.019 46.091 45.100 -0.047 0.000 0.771 184 G HN 0.284 nan 8.290 nan 0.000 0.545 185 V N -0.237 119.308 119.914 -0.615 0.000 2.453 185 V HA -0.141 3.980 4.120 0.001 0.000 0.247 185 V C 2.248 178.248 176.094 -0.156 0.000 1.048 185 V CA 1.556 63.450 62.300 -0.675 0.000 1.049 185 V CB -0.677 30.877 31.823 -0.448 0.000 0.672 185 V HN 0.465 nan 8.190 nan 0.000 0.457 186 Y N 2.320 122.554 120.300 -0.110 0.000 2.097 186 Y HA -0.250 4.300 4.550 0.001 0.000 0.282 186 Y C 2.528 178.256 175.900 -0.285 0.000 1.152 186 Y CA 2.043 59.935 58.100 -0.346 0.000 1.136 186 Y CB -0.432 37.790 38.460 -0.396 0.000 0.975 186 Y HN 0.309 nan 8.280 nan 0.000 0.498 187 N N 0.242 118.803 118.700 -0.231 0.000 2.104 187 N HA -0.254 4.487 4.740 0.001 0.000 0.190 187 N C 2.084 177.391 175.510 -0.338 0.000 1.024 187 N CA 1.842 54.731 53.050 -0.269 0.000 0.853 187 N CB -0.720 37.706 38.487 -0.102 0.000 1.008 187 N HN 0.533 nan 8.380 nan 0.000 0.424 188 M N 0.841 120.231 119.600 -0.351 0.000 2.065 188 M HA -0.140 4.340 4.480 0.001 0.000 0.259 188 M C 1.680 177.529 176.300 -0.751 0.000 1.069 188 M CA 1.493 56.458 55.300 -0.558 0.000 1.110 188 M CB -0.020 32.247 32.600 -0.556 0.000 1.328 188 M HN -0.111 nan 8.290 nan 0.000 0.405 189 V N 0.446 120.022 119.914 -0.564 0.000 2.407 189 V HA -0.260 3.861 4.120 0.001 0.000 0.248 189 V C 2.544 178.453 176.094 -0.309 0.000 1.055 189 V CA 1.951 64.023 62.300 -0.380 0.000 1.049 189 V CB -1.055 30.686 31.823 -0.136 0.000 0.662 189 V HN 0.524 nan 8.190 nan 0.000 0.455 190 R N 0.076 120.305 120.500 -0.452 0.000 2.073 190 R HA -0.218 4.123 4.340 0.001 0.000 0.234 190 R C 2.187 178.368 176.300 -0.199 0.000 1.134 190 R CA 2.254 58.124 56.100 -0.384 0.000 0.952 190 R CB -0.492 29.491 30.300 -0.529 0.000 0.850 190 R HN 0.616 nan 8.270 nan 0.000 0.433 191 D N -0.253 120.027 120.400 -0.200 0.000 2.092 191 D HA -0.205 4.435 4.640 0.001 0.000 0.193 191 D C 1.795 178.149 176.300 0.090 0.000 0.994 191 D CA 1.455 55.413 54.000 -0.070 0.000 0.828 191 D CB -0.149 40.593 40.800 -0.096 0.000 0.963 191 D HN 0.089 nan 8.370 nan 0.000 0.450 192 F N 0.980 120.843 119.950 -0.146 0.000 2.091 192 F HA -0.134 4.393 4.527 0.001 0.000 0.299 192 F C 2.345 178.075 175.800 -0.117 0.000 1.103 192 F CA 1.022 58.934 58.000 -0.145 0.000 1.228 192 F CB -0.837 38.032 39.000 -0.218 0.000 0.984 192 F HN 0.038 nan 8.300 nan 0.000 0.477 193 K N 0.395 120.847 120.400 0.087 0.000 2.148 193 K HA -0.144 4.177 4.320 0.001 0.000 0.204 193 K C 1.933 178.538 176.600 0.007 0.000 1.050 193 K CA 1.010 57.310 56.287 0.022 0.000 0.942 193 K CB -0.735 31.761 32.500 -0.008 0.000 0.724 193 K HN 0.460 nan 8.250 nan 0.000 0.446 194 Q N 0.192 119.994 119.800 0.002 0.000 2.123 194 Q HA -0.013 4.327 4.340 0.001 0.000 0.199 194 Q C 1.838 177.842 176.000 0.006 0.000 0.966 194 Q CA 0.965 56.767 55.803 -0.003 0.000 0.845 194 Q CB -0.035 28.695 28.738 -0.014 0.000 0.907 194 Q HN 0.238 nan 8.270 nan 0.000 0.439 195 R N -0.356 120.156 120.500 0.020 0.000 2.313 195 R HA 0.072 4.412 4.340 0.001 0.000 0.199 195 R C 0.793 177.086 176.300 -0.013 0.000 0.958 195 R CA 0.565 56.671 56.100 0.010 0.000 1.047 195 R CB 0.375 30.690 30.300 0.026 0.000 0.955 195 R HN 0.389 nan 8.270 nan 0.000 0.481 196 G N 1.075 109.867 108.800 -0.014 0.000 2.136 196 G HA2 -0.251 3.709 3.960 0.001 0.000 0.242 196 G HA3 -0.251 3.709 3.960 0.001 0.000 0.242 196 G C 0.222 175.082 174.900 -0.066 0.000 0.989 196 G CA 0.011 45.095 45.100 -0.028 0.000 0.682 196 G HN 0.147 nan 8.290 nan 0.000 0.522 197 V N 2.751 122.593 119.914 -0.121 0.000 2.585 197 V HA 0.291 4.411 4.120 0.001 0.000 0.296 197 V C -0.859 175.123 176.094 -0.187 0.000 1.035 197 V CA -0.452 61.684 62.300 -0.273 0.000 1.084 197 V CB 0.994 32.382 31.823 -0.724 0.000 0.953 197 V HN 0.330 nan 8.190 nan 0.000 0.483 198 P HA 0.253 nan 4.420 nan 0.000 0.274 198 P C -0.784 176.519 177.300 0.004 0.000 1.291 198 P CA 0.196 63.286 63.100 -0.017 0.000 0.815 198 P CB 0.836 32.559 31.700 0.038 0.000 0.897 199 I N 3.816 124.376 120.570 -0.017 0.000 2.649 199 I HA 0.189 4.359 4.170 0.001 0.000 0.289 199 I C -0.420 175.734 176.117 0.062 0.000 1.222 199 I CA -0.523 60.755 61.300 -0.036 0.000 1.046 199 I CB 2.564 40.370 38.000 -0.323 0.000 1.272 199 I HN 0.195 nan 8.210 nan 0.000 0.425 200 D N 5.233 125.715 120.400 0.137 0.000 2.454 200 D HA 0.152 4.793 4.640 0.001 0.000 0.214 200 D C 0.459 176.841 176.300 0.136 0.000 1.088 200 D CA 0.483 54.559 54.000 0.127 0.000 0.855 200 D CB 1.206 42.087 40.800 0.135 0.000 1.025 200 D HN 0.553 nan 8.370 nan 0.000 0.502 201 c N -0.243 118.453 118.600 0.159 0.000 3.311 201 c HA 0.676 5.247 4.570 0.001 0.000 0.325 201 c C -1.656 172.512 174.090 0.130 0.000 1.352 201 c CA -0.517 55.902 56.329 0.149 0.000 1.308 201 c CB 1.290 43.887 42.510 0.144 0.000 1.619 201 c HN -0.103 nan 8.230 nan 0.000 0.469 202 V N 2.777 122.727 119.914 0.060 0.000 2.531 202 V HA 0.737 4.858 4.120 0.001 0.000 0.301 202 V C 0.785 176.682 176.094 -0.328 0.000 1.034 202 V CA 0.455 62.665 62.300 -0.151 0.000 0.865 202 V CB 1.638 33.257 31.823 -0.341 0.000 0.995 202 V HN 1.305 nan 8.190 nan 0.000 0.424 203 G N 3.651 112.233 108.800 -0.363 0.000 2.322 203 G HA2 0.602 4.563 3.960 0.001 0.000 0.309 203 G HA3 0.602 4.563 3.960 0.001 0.000 0.309 203 G C -1.005 173.591 174.900 -0.506 0.000 1.121 203 G CA -0.232 44.694 45.100 -0.290 0.000 0.886 203 G HN 0.458 nan 8.290 nan 0.000 0.447 204 F N 1.532 121.436 119.950 -0.077 0.000 2.308 204 F HA 0.270 4.797 4.527 0.001 0.000 0.370 204 F C 1.704 177.406 175.800 -0.162 0.000 1.100 204 F CA -0.606 57.350 58.000 -0.073 0.000 1.108 204 F CB 1.808 40.883 39.000 0.125 0.000 1.293 204 F HN 0.540 nan 8.300 nan 0.000 0.478 205 Q N 1.245 120.954 119.800 -0.151 0.000 2.173 205 Q HA -0.199 4.141 4.340 0.001 0.000 0.208 205 Q C 0.698 176.378 176.000 -0.533 0.000 0.989 205 Q CA 1.575 57.165 55.803 -0.354 0.000 0.872 205 Q CB -0.185 28.380 28.738 -0.289 0.000 0.909 205 Q HN 0.768 nan 8.270 nan 0.000 0.420 206 S N 0.280 115.661 115.700 -0.531 0.000 3.797 206 S HA -0.121 4.350 4.470 0.001 0.000 0.374 206 S C -0.760 173.160 174.600 -1.134 0.000 0.970 206 S CA 0.109 57.704 58.200 -1.008 0.000 1.177 206 S CB -1.551 61.318 63.200 -0.551 0.000 0.891 206 S HN 0.411 nan 8.310 nan 0.000 0.491 207 H N 0.653 119.321 119.070 -0.670 0.000 2.818 207 H HA 0.358 4.914 4.556 0.001 0.000 0.269 207 H C 0.029 175.133 175.328 -0.374 0.000 1.277 207 H CA -0.177 55.671 56.048 -0.333 0.000 1.290 207 H CB -0.159 29.569 29.762 -0.057 0.000 1.479 207 H HN 0.290 nan 8.280 nan 0.000 0.507 208 F N 2.919 122.901 119.950 0.052 0.000 2.394 208 F HA 0.210 4.737 4.527 0.001 0.000 0.340 208 F C 0.754 176.572 175.800 0.029 0.000 1.105 208 F CA -0.666 57.337 58.000 0.005 0.000 1.124 208 F CB 1.020 39.994 39.000 -0.043 0.000 1.145 208 F HN 0.540 nan 8.300 nan 0.000 0.505 209 N N -2.195 116.644 118.700 0.232 0.000 3.179 209 N HA 0.181 4.921 4.740 0.001 0.000 0.250 209 N C 0.062 175.647 175.510 0.125 0.000 1.507 209 N CA -0.340 52.793 53.050 0.139 0.000 0.883 209 N CB 0.370 38.911 38.487 0.089 0.000 1.435 209 N HN 0.238 nan 8.380 nan 0.000 0.532 210 S N -1.956 113.800 115.700 0.093 0.000 2.419 210 S HA -0.039 4.432 4.470 0.001 0.000 0.235 210 S C 1.738 176.405 174.600 0.112 0.000 1.019 210 S CA 1.218 59.471 58.200 0.090 0.000 0.982 210 S CB -1.268 61.972 63.200 0.067 0.000 0.789 210 S HN 0.808 nan 8.310 nan 0.000 0.490 211 G N 1.471 110.341 108.800 0.117 0.000 2.402 211 G HA2 0.080 4.041 3.960 0.001 0.000 0.216 211 G HA3 0.080 4.041 3.960 0.001 0.000 0.216 211 G C 0.692 175.729 174.900 0.228 0.000 1.162 211 G CA 0.700 45.890 45.100 0.150 0.000 0.777 211 G HN 0.954 nan 8.290 nan 0.000 0.539 212 S N 0.945 116.767 115.700 0.203 0.000 2.312 212 S HA 0.499 4.969 4.470 0.001 0.000 0.173 212 S C -2.948 171.747 174.600 0.158 0.000 1.488 212 S CA -1.310 56.998 58.200 0.181 0.000 1.239 212 S CB 2.548 65.816 63.200 0.114 0.000 1.215 212 S HN 0.158 nan 8.310 nan 0.000 0.438 213 P HA 0.100 nan 4.420 nan 0.000 0.272 213 P C -0.313 176.969 177.300 -0.030 0.000 1.230 213 P CA -0.279 62.880 63.100 0.098 0.000 0.788 213 P CB 0.496 32.234 31.700 0.063 0.000 0.949 214 Y N 2.506 122.558 120.300 -0.413 0.000 2.457 214 Y HA 0.198 4.748 4.550 0.001 0.000 0.341 214 Y C 0.056 175.700 175.900 -0.426 0.000 1.240 214 Y CA 0.337 57.845 58.100 -0.987 0.000 1.437 214 Y CB 0.376 38.065 38.460 -1.285 0.000 1.328 214 Y HN 0.382 nan 8.280 nan 0.000 0.588 215 N N 1.825 119.677 118.700 -1.414 0.000 2.264 215 N HA 0.076 4.817 4.740 0.001 0.000 0.288 215 N C 0.099 174.936 175.510 -1.122 0.000 1.094 215 N CA 0.186 52.690 53.050 -0.911 0.000 0.817 215 N CB 2.095 40.346 38.487 -0.393 0.000 1.604 215 N HN 0.804 nan 8.380 nan 0.000 0.473 216 S N 2.153 117.512 115.700 -0.569 0.000 2.440 216 S HA -0.222 4.249 4.470 0.001 0.000 0.238 216 S C 1.212 175.720 174.600 -0.153 0.000 1.010 216 S CA 1.447 59.503 58.200 -0.240 0.000 0.972 216 S CB -0.562 62.608 63.200 -0.050 0.000 0.774 216 S HN 0.778 nan 8.310 nan 0.000 0.501 217 N N 1.033 119.642 118.700 -0.151 0.000 2.571 217 N HA -0.051 4.689 4.740 0.001 0.000 0.189 217 N C 1.060 176.570 175.510 0.000 0.000 1.154 217 N CA 0.403 53.421 53.050 -0.054 0.000 0.907 217 N CB -0.961 37.544 38.487 0.030 0.000 0.977 217 N HN 0.395 nan 8.380 nan 0.000 0.449 218 F N 1.993 121.803 119.950 -0.234 0.000 2.161 218 F HA -0.049 4.478 4.527 0.001 0.000 0.300 218 F C 2.316 178.032 175.800 -0.139 0.000 1.089 218 F CA 1.123 59.026 58.000 -0.162 0.000 1.282 218 F CB -0.416 38.515 39.000 -0.116 0.000 1.010 218 F HN 0.114 nan 8.300 nan 0.000 0.485 219 R N -0.472 119.911 120.500 -0.195 0.000 2.096 219 R HA -0.134 4.207 4.340 0.001 0.000 0.235 219 R C 2.013 178.141 176.300 -0.287 0.000 1.127 219 R CA 1.945 57.861 56.100 -0.307 0.000 0.968 219 R CB -0.515 29.687 30.300 -0.162 0.000 0.861 219 R HN 0.285 nan 8.270 nan 0.000 0.440 220 T N -0.061 114.348 114.554 -0.242 0.000 2.746 220 T HA -0.109 4.241 4.350 0.001 0.000 0.267 220 T C 1.698 176.134 174.700 -0.440 0.000 1.039 220 T CA 1.848 63.739 62.100 -0.349 0.000 1.142 220 T CB -0.322 68.315 68.868 -0.385 0.000 0.866 220 T HN 0.353 nan 8.240 nan 0.000 0.444 221 T N 2.541 116.952 114.554 -0.238 0.000 2.708 221 T HA 0.012 4.363 4.350 0.001 0.000 0.266 221 T C 1.996 176.704 174.700 0.014 0.000 1.037 221 T CA 0.969 63.090 62.100 0.035 0.000 1.146 221 T CB -0.512 68.540 68.868 0.307 0.000 0.865 221 T HN 0.260 nan 8.240 nan 0.000 0.435 222 L N 0.681 121.709 121.223 -0.325 0.000 2.017 222 L HA -0.178 4.162 4.340 0.001 0.000 0.208 222 L C 2.893 179.711 176.870 -0.087 0.000 1.073 222 L CA 1.518 56.160 54.840 -0.331 0.000 0.745 222 L CB -0.669 41.051 42.059 -0.565 0.000 0.894 222 L HN 0.320 nan 8.230 nan 0.000 0.432 223 Q N -0.292 119.411 119.800 -0.162 0.000 2.124 223 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 223 Q C 2.067 178.017 176.000 -0.084 0.000 0.977 223 Q CA 1.361 57.090 55.803 -0.122 0.000 0.850 223 Q CB -0.150 28.483 28.738 -0.175 0.000 0.901 223 Q HN 0.492 nan 8.270 nan 0.000 0.429 224 N N 0.173 118.774 118.700 -0.165 0.000 2.084 224 N HA -0.118 4.622 4.740 0.001 0.000 0.190 224 N C 1.499 177.086 175.510 0.128 0.000 1.030 224 N CA 1.185 54.126 53.050 -0.181 0.000 0.849 224 N CB -0.353 37.715 38.487 -0.700 0.000 1.012 224 N HN 0.171 nan 8.380 nan 0.000 0.423 225 F N 1.470 121.547 119.950 0.212 0.000 2.171 225 F HA -0.033 4.495 4.527 0.001 0.000 0.300 225 F C 2.374 178.278 175.800 0.173 0.000 1.090 225 F CA 0.912 59.100 58.000 0.314 0.000 1.293 225 F CB -0.531 38.720 39.000 0.418 0.000 1.013 225 F HN 0.019 nan 8.300 nan 0.000 0.486 226 A N -0.003 122.981 122.820 0.273 0.000 1.933 226 A HA -0.099 4.222 4.320 0.001 0.000 0.218 226 A C 2.373 180.017 177.584 0.100 0.000 1.175 226 A CA 1.649 53.776 52.037 0.150 0.000 0.628 226 A CB -1.266 17.776 19.000 0.071 0.000 0.814 226 A HN 0.294 nan 8.150 nan 0.000 0.444 227 A N -0.487 122.379 122.820 0.077 0.000 2.070 227 A HA 0.057 4.377 4.320 0.001 0.000 0.220 227 A C 1.949 179.565 177.584 0.053 0.000 1.159 227 A CA 1.181 53.247 52.037 0.047 0.000 0.656 227 A CB -0.524 18.491 19.000 0.025 0.000 0.800 227 A HN 0.487 nan 8.150 nan 0.000 0.453 228 L N -1.534 119.732 121.223 0.073 0.000 2.465 228 L HA 0.093 4.434 4.340 0.001 0.000 0.224 228 L C 1.697 178.588 176.870 0.034 0.000 1.145 228 L CA 0.687 55.542 54.840 0.025 0.000 0.834 228 L CB -0.261 41.783 42.059 -0.024 0.000 0.944 228 L HN 0.596 nan 8.230 nan 0.000 0.451 229 G N 0.455 109.291 108.800 0.060 0.000 2.134 229 G HA2 -0.206 3.755 3.960 0.001 0.000 0.209 229 G HA3 -0.206 3.755 3.960 0.001 0.000 0.209 229 G C 0.088 175.033 174.900 0.076 0.000 0.993 229 G CA 0.012 45.146 45.100 0.056 0.000 0.669 229 G HN 0.218 nan 8.290 nan 0.000 0.519 230 V N -2.567 117.414 119.914 0.112 0.000 2.815 230 V HA 0.854 4.974 4.120 0.001 0.000 0.314 230 V C -0.080 176.103 176.094 0.149 0.000 1.064 230 V CA -1.468 60.911 62.300 0.132 0.000 0.952 230 V CB 2.029 33.949 31.823 0.162 0.000 1.020 230 V HN 0.041 nan 8.190 nan 0.000 0.439 231 D N 1.632 122.113 120.400 0.135 0.000 2.358 231 D HA 0.550 5.190 4.640 0.001 0.000 0.244 231 D C -0.027 176.373 176.300 0.165 0.000 1.163 231 D CA 0.169 54.247 54.000 0.130 0.000 0.945 231 D CB 1.967 42.836 40.800 0.114 0.000 1.152 231 D HN 0.938 nan 8.370 nan 0.000 0.451 232 V N -2.876 117.132 119.914 0.157 0.000 2.823 232 V HA 0.924 5.044 4.120 0.001 0.000 0.312 232 V C -0.873 175.320 176.094 0.165 0.000 1.072 232 V CA -0.963 61.473 62.300 0.227 0.000 0.937 232 V CB 1.509 33.483 31.823 0.252 0.000 1.013 232 V HN 0.672 nan 8.190 nan 0.000 0.430 233 A N 4.120 127.072 122.820 0.220 0.000 2.486 233 A HA 0.857 5.177 4.320 0.001 0.000 0.300 233 A C -0.912 176.795 177.584 0.205 0.000 1.048 233 A CA -0.674 51.458 52.037 0.157 0.000 0.696 233 A CB 1.530 20.632 19.000 0.170 0.000 1.278 233 A HN 0.968 nan 8.150 nan 0.000 0.405 234 I N 3.017 123.667 120.570 0.132 0.000 2.291 234 I HA 0.181 4.352 4.170 0.001 0.000 0.292 234 I C 1.561 177.711 176.117 0.056 0.000 1.064 234 I CA 0.016 61.403 61.300 0.145 0.000 1.269 234 I CB 1.341 39.420 38.000 0.132 0.000 1.418 234 I HN 0.904 nan 8.210 nan 0.000 0.485 235 T N 1.032 115.587 114.554 0.001 0.000 3.031 235 T HA 0.113 4.463 4.350 0.001 0.000 0.254 235 T C 0.849 175.485 174.700 -0.107 0.000 1.060 235 T CA 0.475 62.537 62.100 -0.062 0.000 1.135 235 T CB 0.043 68.827 68.868 -0.140 0.000 0.896 235 T HN 0.573 nan 8.240 nan 0.000 0.472 236 E N 0.867 120.910 120.200 -0.262 0.000 4.017 236 E HA 0.341 4.692 4.350 0.001 0.000 0.205 236 E C -1.134 175.244 176.600 -0.370 0.000 1.054 236 E CA -0.481 55.722 56.400 -0.330 0.000 1.398 236 E CB 0.678 29.797 29.700 -0.968 0.000 1.164 236 E HN 0.218 nan 8.360 nan 0.000 0.445 237 L N 2.921 124.071 121.223 -0.122 0.000 2.513 237 L HA 0.112 4.452 4.340 0.001 0.000 0.272 237 L C -0.753 176.217 176.870 0.167 0.000 1.187 237 L CA 0.692 55.506 54.840 -0.044 0.000 0.895 237 L CB 0.046 42.162 42.059 0.095 0.000 1.147 237 L HN 0.163 nan 8.230 nan 0.000 0.483 238 D N 4.154 124.632 120.400 0.130 0.000 2.886 238 D HA 0.454 5.095 4.640 0.001 0.000 0.216 238 D C -0.982 175.407 176.300 0.148 0.000 1.256 238 D CA -0.305 53.867 54.000 0.287 0.000 0.844 238 D CB 0.543 41.630 40.800 0.478 0.000 1.669 238 D HN 0.372 nan 8.370 nan 0.000 0.513 239 I N 1.037 121.654 120.570 0.078 0.000 2.410 239 I HA 0.230 4.401 4.170 0.001 0.000 0.286 239 I C 0.022 176.205 176.117 0.111 0.000 1.009 239 I CA -0.956 60.366 61.300 0.038 0.000 1.111 239 I CB 2.020 39.876 38.000 -0.241 0.000 1.262 239 I HN 0.396 nan 8.210 nan 0.000 0.443 240 Q N 5.378 125.246 119.800 0.114 0.000 2.264 240 Q HA 0.101 4.442 4.340 0.001 0.000 0.296 240 Q C 1.142 177.191 176.000 0.083 0.000 1.103 240 Q CA 1.400 57.258 55.803 0.092 0.000 0.967 240 Q CB 0.294 29.075 28.738 0.072 0.000 1.090 240 Q HN 1.030 nan 8.270 nan 0.000 0.379 241 G N 3.154 112.008 108.800 0.090 0.000 2.195 241 G HA2 -0.327 3.634 3.960 0.001 0.000 0.246 241 G HA3 -0.327 3.634 3.960 0.001 0.000 0.246 241 G C 0.496 175.460 174.900 0.107 0.000 0.984 241 G CA 0.111 45.257 45.100 0.077 0.000 0.633 241 G HN 1.846 nan 8.290 nan 0.000 0.525 242 A N -0.858 122.065 122.820 0.171 0.000 2.596 242 A HA 0.097 4.417 4.320 0.001 0.000 0.300 242 A C 1.352 179.082 177.584 0.244 0.000 1.495 242 A CA 1.904 54.128 52.037 0.311 0.000 0.769 242 A CB -1.888 17.310 19.000 0.330 0.000 1.047 242 A HN 2.495 nan 8.150 nan 0.000 0.436 243 S N 0.019 115.799 115.700 0.132 0.000 2.546 243 S HA 0.310 4.780 4.470 0.001 0.000 0.290 243 S C 1.511 176.192 174.600 0.135 0.000 1.290 243 S CA 0.419 58.667 58.200 0.080 0.000 1.069 243 S CB 0.640 63.852 63.200 0.021 0.000 0.846 243 S HN 1.037 nan 8.310 nan 0.000 0.495 244 S N 4.133 119.893 115.700 0.100 0.000 2.368 244 S HA -0.094 4.376 4.470 0.001 0.000 0.225 244 S C 2.191 176.856 174.600 0.108 0.000 1.030 244 S CA 1.633 59.910 58.200 0.129 0.000 0.999 244 S CB -0.490 62.792 63.200 0.138 0.000 0.844 244 S HN 0.815 nan 8.310 nan 0.000 0.459 245 S N 1.194 116.932 115.700 0.062 0.000 2.368 245 S HA -0.090 4.381 4.470 0.001 0.000 0.225 245 S C 2.133 176.704 174.600 -0.048 0.000 1.030 245 S CA 1.521 59.737 58.200 0.027 0.000 0.999 245 S CB -0.647 62.567 63.200 0.024 0.000 0.844 245 S HN 0.597 nan 8.310 nan 0.000 0.459 246 T N 0.832 115.329 114.554 -0.095 0.000 2.737 246 T HA -0.062 4.288 4.350 0.001 0.000 0.265 246 T C 1.534 176.053 174.700 -0.302 0.000 1.038 246 T CA 1.149 63.065 62.100 -0.307 0.000 1.144 246 T CB -0.445 68.249 68.868 -0.289 0.000 0.866 246 T HN 0.329 nan 8.240 nan 0.000 0.434 247 Y N 1.582 121.817 120.300 -0.109 0.000 2.181 247 Y HA 0.003 4.553 4.550 0.001 0.000 0.288 247 Y C 2.693 178.568 175.900 -0.041 0.000 1.146 247 Y CA 0.617 58.697 58.100 -0.032 0.000 1.164 247 Y CB -0.756 37.720 38.460 0.027 0.000 0.982 247 Y HN 0.207 nan 8.280 nan 0.000 0.515 248 A N -0.533 122.354 122.820 0.111 0.000 1.930 248 A HA -0.052 4.268 4.320 0.001 0.000 0.217 248 A C 2.415 179.996 177.584 -0.004 0.000 1.175 248 A CA 1.532 53.599 52.037 0.051 0.000 0.627 248 A CB -1.139 17.882 19.000 0.035 0.000 0.815 248 A HN 0.401 nan 8.150 nan 0.000 0.443 249 A N -0.424 122.339 122.820 -0.094 0.000 1.873 249 A HA -0.002 4.319 4.320 0.001 0.000 0.215 249 A C 2.194 179.708 177.584 -0.118 0.000 1.186 249 A CA 1.756 53.710 52.037 -0.139 0.000 0.616 249 A CB -0.980 17.837 19.000 -0.306 0.000 0.823 249 A HN 0.390 nan 8.150 nan 0.000 0.442 250 V N -0.119 119.667 119.914 -0.213 0.000 2.407 250 V HA -0.230 3.890 4.120 0.001 0.000 0.248 250 V C 2.719 178.874 176.094 0.103 0.000 1.055 250 V CA 2.443 64.762 62.300 0.031 0.000 1.049 250 V CB -1.289 30.580 31.823 0.077 0.000 0.662 250 V HN 0.609 nan 8.190 nan 0.000 0.455 251 T N 0.278 114.892 114.554 0.101 0.000 2.708 251 T HA -0.161 4.190 4.350 0.001 0.000 0.266 251 T C 1.837 176.567 174.700 0.050 0.000 1.037 251 T CA 1.610 63.781 62.100 0.118 0.000 1.146 251 T CB -0.367 68.585 68.868 0.140 0.000 0.865 251 T HN 0.440 nan 8.240 nan 0.000 0.435 252 N N 1.263 119.979 118.700 0.026 0.000 2.309 252 N HA -0.082 4.658 4.740 0.001 0.000 0.182 252 N C 1.438 176.937 175.510 -0.018 0.000 1.018 252 N CA 0.842 53.894 53.050 0.003 0.000 0.876 252 N CB -0.318 38.171 38.487 0.003 0.000 0.972 252 N HN 0.381 nan 8.380 nan 0.000 0.434 253 D N 0.376 120.767 120.400 -0.015 0.000 2.117 253 D HA -0.108 4.532 4.640 0.001 0.000 0.197 253 D C 2.027 178.243 176.300 -0.140 0.000 0.987 253 D CA 0.573 54.523 54.000 -0.083 0.000 0.829 253 D CB -0.528 40.213 40.800 -0.099 0.000 0.961 253 D HN 0.201 nan 8.370 nan 0.000 0.460 254 c N 0.421 118.959 118.600 -0.103 0.000 2.446 254 c HA -0.014 4.557 4.570 0.001 0.000 0.277 254 c C 2.767 176.808 174.090 -0.082 0.000 1.275 254 c CA 0.241 56.504 56.329 -0.111 0.000 1.727 254 c CB -1.221 41.243 42.510 -0.077 0.000 2.010 254 c HN 0.278 nan 8.230 nan 0.000 0.486 255 L N 1.134 122.328 121.223 -0.050 0.000 2.265 255 L HA -0.052 4.289 4.340 0.001 0.000 0.215 255 L C 2.770 179.613 176.870 -0.046 0.000 1.117 255 L CA 1.386 56.203 54.840 -0.039 0.000 0.782 255 L CB -0.566 41.481 42.059 -0.020 0.000 0.914 255 L HN 0.446 nan 8.230 nan 0.000 0.441 256 A N -0.825 121.960 122.820 -0.059 0.000 2.169 256 A HA 0.153 4.473 4.320 0.001 0.000 0.212 256 A C 0.878 178.418 177.584 -0.074 0.000 1.153 256 A CA 0.238 52.238 52.037 -0.062 0.000 0.756 256 A CB 0.020 18.980 19.000 -0.067 0.000 0.813 256 A HN 0.126 nan 8.150 nan 0.000 0.471 257 V N 0.460 120.323 119.914 -0.086 0.000 2.334 257 V HA 0.188 4.308 4.120 0.001 0.000 0.281 257 V C 1.447 177.508 176.094 -0.055 0.000 1.016 257 V CA 0.225 62.476 62.300 -0.082 0.000 0.832 257 V CB 0.978 32.730 31.823 -0.118 0.000 0.999 257 V HN 0.442 nan 8.190 nan 0.000 0.439 258 S N 4.015 119.692 115.700 -0.037 0.000 2.420 258 S HA -0.178 4.292 4.470 0.001 0.000 0.237 258 S C 1.848 176.441 174.600 -0.010 0.000 1.023 258 S CA 1.786 59.973 58.200 -0.021 0.000 0.991 258 S CB -0.098 63.094 63.200 -0.014 0.000 0.792 258 S HN 0.703 nan 8.310 nan 0.000 0.488 259 R N -0.083 120.414 120.500 -0.005 0.000 2.317 259 R HA 0.260 4.600 4.340 0.001 0.000 0.208 259 R C 0.383 176.691 176.300 0.013 0.000 0.914 259 R CA 0.063 56.174 56.100 0.018 0.000 1.060 259 R CB -0.539 29.787 30.300 0.043 0.000 1.015 259 R HN 0.408 nan 8.270 nan 0.000 0.498 260 c N 1.448 120.033 118.600 -0.025 0.000 2.520 260 c HA 0.177 4.748 4.570 0.001 0.000 0.369 260 c C 1.809 175.852 174.090 -0.078 0.000 1.244 260 c CA -0.683 55.617 56.329 -0.049 0.000 1.677 260 c CB -1.332 41.121 42.510 -0.095 0.000 2.324 260 c HN 0.584 nan 8.230 nan 0.000 0.557 261 L N 5.380 126.568 121.223 -0.059 0.000 2.083 261 L HA 0.181 4.521 4.340 0.001 0.000 0.209 261 L C 1.589 178.175 176.870 -0.472 0.000 1.083 261 L CA 1.375 56.162 54.840 -0.088 0.000 0.752 261 L CB -0.705 41.426 42.059 0.120 0.000 0.899 261 L HN 0.940 nan 8.230 nan 0.000 0.433 262 G N -1.011 107.387 108.800 -0.670 0.000 2.317 262 G HA2 0.381 4.341 3.960 0.001 0.000 0.293 262 G HA3 0.381 4.341 3.960 0.001 0.000 0.293 262 G C -1.791 172.711 174.900 -0.664 0.000 1.287 262 G CA -0.797 43.639 45.100 -1.105 0.000 0.850 262 G HN -0.098 nan 8.290 nan 0.000 0.515 263 I N 0.367 120.594 120.570 -0.572 0.000 2.509 263 I HA 0.562 4.733 4.170 0.001 0.000 0.293 263 I C -0.439 175.428 176.117 -0.417 0.000 1.020 263 I CA -0.676 60.387 61.300 -0.395 0.000 1.088 263 I CB 2.655 40.375 38.000 -0.467 0.000 1.267 263 I HN 0.367 nan 8.210 nan 0.000 0.430 264 T N 5.206 119.657 114.554 -0.171 0.000 2.841 264 T HA 0.452 4.803 4.350 0.001 0.000 0.285 264 T C -0.396 174.284 174.700 -0.034 0.000 0.991 264 T CA -0.524 61.519 62.100 -0.095 0.000 0.966 264 T CB 1.650 70.539 68.868 0.035 0.000 0.962 264 T HN 0.374 nan 8.240 nan 0.000 0.438 265 V N 1.204 121.131 119.914 0.022 0.000 2.539 265 V HA 0.510 4.630 4.120 0.001 0.000 0.292 265 V C 0.179 176.378 176.094 0.175 0.000 1.045 265 V CA -1.133 61.291 62.300 0.207 0.000 0.945 265 V CB 1.413 33.478 31.823 0.403 0.000 0.993 265 V HN 0.993 nan 8.190 nan 0.000 0.464 266 W N 5.172 126.484 121.300 0.020 0.000 1.438 266 W HA 0.558 5.219 4.660 0.001 0.000 0.455 266 W C 0.502 177.053 176.519 0.053 0.000 0.656 266 W CA 0.786 58.117 57.345 -0.023 0.000 2.049 266 W CB 0.046 29.494 29.460 -0.021 0.000 1.683 266 W HN 1.232 nan 8.180 nan 0.000 0.228 267 G N 0.367 109.060 108.800 -0.179 0.000 2.334 267 G HA2 -0.073 3.888 3.960 0.001 0.000 0.566 267 G HA3 -0.073 3.888 3.960 0.001 0.000 0.566 267 G C -0.612 174.280 174.900 -0.013 0.000 1.413 267 G CA -0.666 44.368 45.100 -0.110 0.000 0.993 267 G HN 0.062 nan 8.290 nan 0.000 0.642 268 V N 0.585 120.504 119.914 0.009 0.000 2.398 268 V HA 0.278 4.399 4.120 0.001 0.000 0.236 268 V C 1.614 177.818 176.094 0.183 0.000 1.054 268 V CA 1.570 63.887 62.300 0.028 0.000 1.060 268 V CB -0.441 31.212 31.823 -0.283 0.000 0.707 268 V HN 0.693 nan 8.190 nan 0.000 0.480 269 R N 0.356 120.954 120.500 0.163 0.000 2.674 269 R HA 0.289 4.630 4.340 0.001 0.000 0.266 269 R C 0.696 177.120 176.300 0.205 0.000 1.016 269 R CA -0.653 55.574 56.100 0.211 0.000 1.062 269 R CB 0.736 31.130 30.300 0.156 0.000 1.142 269 R HN 0.148 nan 8.270 nan 0.000 0.517 270 D N 0.546 121.063 120.400 0.194 0.000 2.182 270 D HA -0.147 4.493 4.640 0.001 0.000 0.201 270 D C 1.618 178.004 176.300 0.143 0.000 0.986 270 D CA 1.993 56.095 54.000 0.170 0.000 0.847 270 D CB -0.100 40.782 40.800 0.137 0.000 0.942 270 D HN 0.677 nan 8.370 nan 0.000 0.467 271 T N -1.729 112.899 114.554 0.123 0.000 3.035 271 T HA -0.082 4.268 4.350 0.001 0.000 0.268 271 T C 1.148 175.909 174.700 0.101 0.000 1.109 271 T CA 0.722 62.881 62.100 0.098 0.000 1.119 271 T CB 0.050 68.964 68.868 0.077 0.000 0.900 271 T HN 0.000 nan 8.240 nan 0.000 0.503 272 D N 1.295 121.773 120.400 0.130 0.000 2.354 272 D HA 0.116 4.757 4.640 0.001 0.000 0.209 272 D C 0.897 177.286 176.300 0.148 0.000 1.015 272 D CA 0.163 54.236 54.000 0.121 0.000 0.867 272 D CB 0.056 40.962 40.800 0.176 0.000 0.933 272 D HN 0.419 nan 8.370 nan 0.000 0.520 273 S N 1.451 117.270 115.700 0.199 0.000 2.549 273 S HA -0.009 4.462 4.470 0.001 0.000 0.286 273 S C 1.364 176.176 174.600 0.355 0.000 1.314 273 S CA -0.755 57.634 58.200 0.315 0.000 1.062 273 S CB 0.498 63.880 63.200 0.303 0.000 0.865 273 S HN 0.335 nan 8.310 nan 0.000 0.498 274 W N 5.535 126.926 121.300 0.151 0.000 2.525 274 W HA 0.092 4.753 4.660 0.001 0.000 0.259 274 W C 0.349 176.923 176.519 0.092 0.000 1.253 274 W CA 0.156 57.578 57.345 0.130 0.000 1.262 274 W CB -0.774 28.805 29.460 0.197 0.000 1.122 274 W HN 0.643 nan 8.180 nan 0.000 0.607 275 R N 1.443 121.833 120.500 -0.183 0.000 2.795 275 R HA 0.093 4.434 4.340 0.001 0.000 0.320 275 R C 1.695 177.961 176.300 -0.057 0.000 1.223 275 R CA 0.507 56.414 56.100 -0.323 0.000 1.305 275 R CB 0.396 30.323 30.300 -0.622 0.000 1.318 275 R HN 0.055 nan 8.270 nan 0.000 0.636 276 S N -0.713 115.001 115.700 0.023 0.000 2.387 276 S HA -0.170 4.301 4.470 0.001 0.000 0.230 276 S C 2.065 176.686 174.600 0.035 0.000 1.035 276 S CA 1.430 59.666 58.200 0.060 0.000 1.014 276 S CB -0.306 62.934 63.200 0.066 0.000 0.836 276 S HN 0.557 nan 8.310 nan 0.000 0.466 277 G N 1.577 110.377 108.800 0.001 0.000 2.499 277 G HA2 -0.170 3.791 3.960 0.001 0.000 0.221 277 G HA3 -0.170 3.791 3.960 0.001 0.000 0.221 277 G C 0.924 175.829 174.900 0.008 0.000 1.109 277 G CA 1.035 46.135 45.100 0.001 0.000 0.749 277 G HN 0.553 nan 8.290 nan 0.000 0.568 278 D N 0.387 120.790 120.400 0.005 0.000 2.349 278 D HA 0.049 4.689 4.640 0.001 0.000 0.214 278 D C 1.413 177.755 176.300 0.070 0.000 1.063 278 D CA 0.984 55.000 54.000 0.027 0.000 0.847 278 D CB -0.261 40.545 40.800 0.010 0.000 0.933 278 D HN 0.366 nan 8.370 nan 0.000 0.513 279 T N -0.108 114.494 114.554 0.080 0.000 3.318 279 T HA -0.155 4.196 4.350 0.001 0.000 0.413 279 T C -1.820 172.972 174.700 0.153 0.000 0.771 279 T CA 0.123 62.288 62.100 0.107 0.000 2.056 279 T CB -1.124 67.791 68.868 0.078 0.000 1.684 279 T HN 0.168 nan 8.240 nan 0.000 0.610 280 P HA 0.379 nan 4.420 nan 0.000 0.261 280 P C 0.533 178.077 177.300 0.406 0.000 1.352 280 P CA -0.339 62.927 63.100 0.276 0.000 0.891 280 P CB 0.392 32.241 31.700 0.249 0.000 1.383 281 L N -0.982 120.447 121.223 0.344 0.000 2.464 281 L HA 0.415 4.756 4.340 0.001 0.000 0.264 281 L C 1.845 178.832 176.870 0.195 0.000 1.062 281 L CA -1.101 53.953 54.840 0.355 0.000 0.935 281 L CB 0.573 42.833 42.059 0.334 0.000 1.603 281 L HN -0.285 nan 8.230 nan 0.000 0.528 282 L N -0.617 120.692 121.223 0.144 0.000 2.585 282 L HA 0.237 4.578 4.340 0.001 0.000 0.226 282 L C -0.643 176.065 176.870 -0.270 0.000 1.113 282 L CA 0.289 55.066 54.840 -0.106 0.000 0.876 282 L CB 0.135 42.112 42.059 -0.136 0.000 1.072 282 L HN 0.222 nan 8.230 nan 0.000 0.468 283 F N -0.642 119.351 119.950 0.072 0.000 2.551 283 F HA 0.326 4.853 4.527 0.001 0.000 0.316 283 F C 0.381 176.197 175.800 0.027 0.000 1.089 283 F CA -0.940 57.071 58.000 0.018 0.000 0.915 283 F CB 1.141 40.147 39.000 0.010 0.000 1.186 283 F HN -0.173 nan 8.300 nan 0.000 0.456 284 N N 0.057 118.855 118.700 0.164 0.000 2.381 284 N HA 0.260 5.001 4.740 0.001 0.000 0.254 284 N C 1.199 176.780 175.510 0.117 0.000 1.264 284 N CA 0.148 53.258 53.050 0.100 0.000 0.942 284 N CB 0.654 39.163 38.487 0.036 0.000 1.190 284 N HN 0.872 nan 8.380 nan 0.000 0.495 285 G N 0.071 108.921 108.800 0.084 0.000 2.448 285 G HA2 -0.258 3.703 3.960 0.001 0.000 0.219 285 G HA3 -0.258 3.703 3.960 0.001 0.000 0.219 285 G C 0.771 175.707 174.900 0.060 0.000 1.127 285 G CA 0.903 46.049 45.100 0.076 0.000 0.766 285 G HN 0.815 nan 8.290 nan 0.000 0.552 286 D N -0.720 119.708 120.400 0.046 0.000 2.336 286 D HA 0.227 4.868 4.640 0.001 0.000 0.229 286 D C 1.728 178.048 176.300 0.034 0.000 1.061 286 D CA 0.630 54.648 54.000 0.030 0.000 0.875 286 D CB -0.533 40.274 40.800 0.013 0.000 0.904 286 D HN 0.456 nan 8.370 nan 0.000 0.525 287 G N 0.065 108.904 108.800 0.064 0.000 2.176 287 G HA2 -0.299 3.662 3.960 0.001 0.000 0.253 287 G HA3 -0.299 3.662 3.960 0.001 0.000 0.253 287 G C 0.418 175.405 174.900 0.145 0.000 0.979 287 G CA 0.415 45.560 45.100 0.075 0.000 0.641 287 G HN 0.848 nan 8.290 nan 0.000 0.530 288 S N -0.055 115.696 115.700 0.085 0.000 2.580 288 S HA 0.583 5.054 4.470 0.001 0.000 0.274 288 S C 0.253 174.828 174.600 -0.041 0.000 1.329 288 S CA -0.211 57.999 58.200 0.016 0.000 1.036 288 S CB 1.503 64.677 63.200 -0.043 0.000 0.919 288 S HN 0.452 nan 8.310 nan 0.000 0.515 289 K N 2.043 122.309 120.400 -0.223 0.000 2.379 289 K HA 0.183 4.503 4.320 0.001 0.000 0.284 289 K C 0.142 176.553 176.600 -0.315 0.000 1.044 289 K CA -0.088 55.868 56.287 -0.551 0.000 0.974 289 K CB 0.521 32.572 32.500 -0.747 0.000 0.962 289 K HN 0.551 nan 8.250 nan 0.000 0.474 290 K N 1.031 121.250 120.400 -0.301 0.000 2.102 290 K HA 0.174 4.494 4.320 0.001 0.000 0.244 290 K C 1.218 177.772 176.600 -0.077 0.000 1.021 290 K CA -0.294 55.904 56.287 -0.149 0.000 0.913 290 K CB 0.884 33.316 32.500 -0.114 0.000 1.062 290 K HN 0.629 nan 8.250 nan 0.000 0.485 291 A N 1.384 124.185 122.820 -0.031 0.000 1.892 291 A HA -0.259 4.062 4.320 0.001 0.000 0.218 291 A C 2.185 179.800 177.584 0.051 0.000 1.188 291 A CA 2.451 54.520 52.037 0.053 0.000 0.631 291 A CB -1.065 17.974 19.000 0.065 0.000 0.822 291 A HN 0.812 nan 8.150 nan 0.000 0.447 292 A N -1.813 121.008 122.820 0.001 0.000 2.019 292 A HA -0.081 4.239 4.320 0.001 0.000 0.219 292 A C 2.050 179.527 177.584 -0.177 0.000 1.164 292 A CA 1.634 53.646 52.037 -0.042 0.000 0.644 292 A CB -0.757 18.224 19.000 -0.032 0.000 0.805 292 A HN 0.809 nan 8.150 nan 0.000 0.449 293 Y N 1.157 121.266 120.300 -0.318 0.000 2.097 293 Y HA -0.227 4.324 4.550 0.001 0.000 0.282 293 Y C 2.564 178.298 175.900 -0.277 0.000 1.152 293 Y CA 2.520 60.378 58.100 -0.403 0.000 1.136 293 Y CB -0.762 37.360 38.460 -0.563 0.000 0.975 293 Y HN 0.279 nan 8.280 nan 0.000 0.498 294 T N 0.853 115.397 114.554 -0.016 0.000 2.833 294 T HA -0.157 4.193 4.350 0.001 0.000 0.269 294 T C 2.073 176.694 174.700 -0.131 0.000 1.054 294 T CA 1.237 63.305 62.100 -0.052 0.000 1.135 294 T CB -0.714 68.187 68.868 0.055 0.000 0.869 294 T HN 0.525 nan 8.240 nan 0.000 0.466 295 A N 0.896 123.666 122.820 -0.082 0.000 1.933 295 A HA -0.041 4.279 4.320 0.001 0.000 0.218 295 A C 2.549 180.070 177.584 -0.104 0.000 1.175 295 A CA 1.294 53.304 52.037 -0.045 0.000 0.628 295 A CB -0.871 18.152 19.000 0.039 0.000 0.814 295 A HN 0.373 nan 8.150 nan 0.000 0.444 296 V N -0.403 119.387 119.914 -0.206 0.000 2.323 296 V HA -0.195 3.926 4.120 0.001 0.000 0.244 296 V C 2.461 178.371 176.094 -0.308 0.000 1.041 296 V CA 1.789 63.951 62.300 -0.230 0.000 1.025 296 V CB -0.797 30.814 31.823 -0.354 0.000 0.656 296 V HN 0.578 nan 8.190 nan 0.000 0.451 297 L N 1.013 121.951 121.223 -0.476 0.000 2.012 297 L HA -0.179 4.161 4.340 0.001 0.000 0.210 297 L C 2.233 178.977 176.870 -0.210 0.000 1.073 297 L CA 2.061 56.657 54.840 -0.406 0.000 0.748 297 L CB -0.964 40.816 42.059 -0.465 0.000 0.891 297 L HN 0.308 nan 8.230 nan 0.000 0.431 298 N N 0.131 118.734 118.700 -0.161 0.000 2.104 298 N HA -0.159 4.582 4.740 0.001 0.000 0.190 298 N C 1.821 177.287 175.510 -0.073 0.000 1.024 298 N CA 1.610 54.603 53.050 -0.095 0.000 0.853 298 N CB -0.568 37.875 38.487 -0.073 0.000 1.008 298 N HN 0.558 nan 8.380 nan 0.000 0.424 299 A N 1.243 124.020 122.820 -0.072 0.000 1.877 299 A HA -0.044 4.277 4.320 0.001 0.000 0.216 299 A C 2.389 179.951 177.584 -0.036 0.000 1.186 299 A CA 0.918 52.932 52.037 -0.039 0.000 0.620 299 A CB -0.812 18.177 19.000 -0.017 0.000 0.822 299 A HN 0.217 nan 8.150 nan 0.000 0.443 300 L N -0.112 121.078 121.223 -0.054 0.000 2.079 300 L HA -0.193 4.147 4.340 0.001 0.000 0.210 300 L C 1.798 178.645 176.870 -0.038 0.000 1.081 300 L CA 1.122 55.940 54.840 -0.036 0.000 0.752 300 L CB -0.569 41.452 42.059 -0.062 0.000 0.896 300 L HN 0.380 nan 8.230 nan 0.000 0.433 301 N N 0.028 118.696 118.700 -0.055 0.000 2.515 301 N HA -0.022 4.719 4.740 0.001 0.000 0.185 301 N C 1.237 176.728 175.510 -0.031 0.000 1.109 301 N CA 1.104 54.128 53.050 -0.043 0.000 0.903 301 N CB 0.621 39.077 38.487 -0.051 0.000 0.969 301 N HN 0.459 nan 8.380 nan 0.000 0.450 302 G N -0.658 108.125 108.800 -0.029 0.000 2.148 302 G HA2 -0.016 3.945 3.960 0.001 0.000 0.157 302 G HA3 -0.016 3.945 3.960 0.001 0.000 0.157 302 G C 0.503 175.390 174.900 -0.022 0.000 1.012 302 G CA 0.223 45.309 45.100 -0.022 0.000 0.677 302 G HN 0.637 nan 8.290 nan 0.000 0.506 303 G N -0.611 108.174 108.800 -0.026 0.000 2.740 303 G HA2 0.145 4.106 3.960 0.001 0.000 0.250 303 G HA3 0.145 4.106 3.960 0.001 0.000 0.250 303 G C 0.301 175.188 174.900 -0.023 0.000 1.358 303 G CA 0.326 45.412 45.100 -0.024 0.000 0.897 303 G HN 1.625 nan 8.290 nan 0.000 0.567 304 S N -0.702 114.985 115.700 -0.021 0.000 2.616 304 S HA 0.528 4.998 4.470 0.001 0.000 0.277 304 S C 1.514 176.105 174.600 -0.015 0.000 1.234 304 S CA 0.112 58.300 58.200 -0.020 0.000 1.028 304 S CB 1.726 64.914 63.200 -0.021 0.000 0.988 304 S HN 0.894 nan 8.310 nan 0.000 0.522 305 S N 1.233 116.925 115.700 -0.014 0.000 2.447 305 S HA -0.026 4.445 4.470 0.001 0.000 0.233 305 S C 0.970 175.564 174.600 -0.010 0.000 1.006 305 S CA 0.893 59.086 58.200 -0.012 0.000 0.957 305 S CB -0.165 63.028 63.200 -0.012 0.000 0.773 305 S HN 0.916 nan 8.310 nan 0.000 0.507 306 T N 0.255 114.803 114.554 -0.009 0.000 2.881 306 T HA 0.499 4.850 4.350 0.001 0.000 0.291 306 T C -3.367 171.330 174.700 -0.005 0.000 0.990 306 T CA -2.435 59.661 62.100 -0.006 0.000 0.976 306 T CB 1.518 70.383 68.868 -0.005 0.000 0.970 306 T HN -0.272 nan 8.240 nan 0.000 0.438 307 P HA 0.152 nan 4.420 nan 0.000 0.255 307 P C -2.135 175.166 177.300 0.002 0.000 1.161 307 P CA -0.378 62.722 63.100 -0.000 0.000 0.768 307 P CB -0.526 31.175 31.700 0.002 0.000 0.746 308 P HA 0.072 nan 4.420 nan 0.000 0.269 308 P C -2.173 175.134 177.300 0.012 0.000 1.211 308 P CA -0.594 62.506 63.100 0.001 0.000 0.781 308 P CB -0.695 31.004 31.700 -0.002 0.000 0.877 309 P HA 0.098 nan 4.420 nan 0.000 0.269 309 P C -0.397 176.927 177.300 0.040 0.000 1.215 309 P CA 0.042 63.158 63.100 0.027 0.000 0.780 309 P CB 0.453 32.171 31.700 0.030 0.000 0.898 310 S N 1.804 117.526 115.700 0.038 0.000 2.252 310 S HA 0.521 4.991 4.470 0.001 0.000 0.180 310 S C -0.027 174.598 174.600 0.042 0.000 1.534 310 S CA 0.076 58.300 58.200 0.041 0.000 1.141 310 S CB -1.503 61.715 63.200 0.030 0.000 1.122 310 S HN 0.891 nan 8.310 nan 0.000 0.475 311 G N 1.970 110.804 108.800 0.058 0.000 3.177 311 G HA2 0.291 4.251 3.960 0.001 0.000 0.682 311 G HA3 0.291 4.251 3.960 0.001 0.000 0.682 311 G C 0.529 175.451 174.900 0.037 0.000 1.002 311 G CA -0.150 44.981 45.100 0.052 0.000 0.910 311 G HN 1.909 nan 8.290 nan 0.000 0.538 312 G N 0.322 109.144 108.800 0.037 0.000 2.684 312 G HA2 0.564 4.525 3.960 0.001 0.000 0.229 312 G HA3 0.564 4.525 3.960 0.001 0.000 0.229 312 G C 1.067 175.977 174.900 0.017 0.000 0.927 312 G CA 0.888 45.992 45.100 0.007 0.000 1.147 312 G HN 2.771 nan 8.290 nan 0.000 0.402 313 G N 0.577 109.403 108.800 0.044 0.000 2.649 313 G HA2 0.712 4.672 3.960 0.001 0.000 0.290 313 G HA3 0.712 4.672 3.960 0.001 0.000 0.290 313 G C -0.521 174.438 174.900 0.099 0.000 1.426 313 G CA -0.668 44.463 45.100 0.052 0.000 0.794 313 G HN 0.653 nan 8.290 nan 0.000 0.483 314 Q N -0.913 118.938 119.800 0.084 0.000 2.312 314 Q HA 0.582 4.922 4.340 0.001 0.000 0.236 314 Q C -0.521 175.540 176.000 0.102 0.000 0.965 314 Q CA -0.138 55.738 55.803 0.122 0.000 0.894 314 Q CB 1.942 30.729 28.738 0.082 0.000 1.225 314 Q HN 0.379 nan 8.270 nan 0.000 0.478 315 I N 2.459 123.085 120.570 0.093 0.000 2.521 315 I HA 0.214 4.384 4.170 0.001 0.000 0.277 315 I C -0.845 175.360 176.117 0.148 0.000 1.054 315 I CA -0.663 60.648 61.300 0.018 0.000 1.117 315 I CB 1.154 38.993 38.000 -0.268 0.000 1.217 315 I HN 0.489 nan 8.210 nan 0.000 0.469 316 K N 4.417 124.939 120.400 0.203 0.000 2.138 316 K HA 0.729 5.050 4.320 0.001 0.000 0.263 316 K C 0.196 176.954 176.600 0.264 0.000 0.965 316 K CA -0.578 55.846 56.287 0.229 0.000 0.868 316 K CB 1.754 34.322 32.500 0.114 0.000 1.083 316 K HN 0.464 nan 8.250 nan 0.000 0.443 317 G N 1.614 110.506 108.800 0.153 0.000 2.406 317 G HA2 0.146 4.107 3.960 0.001 0.000 0.251 317 G HA3 0.146 4.107 3.960 0.001 0.000 0.251 317 G C 0.743 175.485 174.900 -0.264 0.000 1.271 317 G CA -0.892 43.984 45.100 -0.373 0.000 0.859 317 G HN 0.465 nan 8.290 nan 0.000 0.540 318 V N 3.416 123.125 119.914 -0.342 0.000 2.261 318 V HA -0.118 4.003 4.120 0.001 0.000 0.246 318 V C 2.988 178.969 176.094 -0.188 0.000 1.047 318 V CA 2.527 64.702 62.300 -0.209 0.000 1.015 318 V CB -0.918 30.783 31.823 -0.204 0.000 0.642 318 V HN 0.813 nan 8.190 nan 0.000 0.446 319 G N -0.393 108.262 108.800 -0.241 0.000 2.443 319 G HA2 -0.205 3.756 3.960 0.001 0.000 0.219 319 G HA3 -0.205 3.756 3.960 0.001 0.000 0.219 319 G C 1.767 176.580 174.900 -0.145 0.000 1.131 319 G CA 1.347 46.339 45.100 -0.181 0.000 0.775 319 G HN 0.651 nan 8.290 nan 0.000 0.547 320 S N -1.474 114.132 115.700 -0.156 0.000 2.497 320 S HA 0.372 4.842 4.470 0.001 0.000 0.221 320 S C 1.942 176.499 174.600 -0.071 0.000 1.037 320 S CA 1.107 59.245 58.200 -0.103 0.000 0.920 320 S CB 0.124 63.268 63.200 -0.093 0.000 0.800 320 S HN 1.468 nan 8.310 nan 0.000 0.505 321 G N 1.609 110.368 108.800 -0.068 0.000 2.162 321 G HA2 -0.248 3.713 3.960 0.001 0.000 0.260 321 G HA3 -0.248 3.713 3.960 0.001 0.000 0.260 321 G C 0.093 174.993 174.900 -0.000 0.000 0.976 321 G CA 0.234 45.315 45.100 -0.033 0.000 0.655 321 G HN 0.609 nan 8.290 nan 0.000 0.533 322 R N -1.065 119.441 120.500 0.011 0.000 2.720 322 R HA 0.641 4.981 4.340 0.001 0.000 0.272 322 R C -0.051 176.329 176.300 0.134 0.000 0.991 322 R CA -0.401 55.733 56.100 0.057 0.000 1.010 322 R CB 1.327 31.645 30.300 0.031 0.000 1.141 322 R HN 0.198 nan 8.270 nan 0.000 0.494 323 c N 1.639 120.339 118.600 0.167 0.000 2.364 323 c HA 0.280 4.851 4.570 0.001 0.000 0.356 323 c C 0.080 174.299 174.090 0.215 0.000 1.201 323 c CA -0.709 55.738 56.329 0.195 0.000 2.227 323 c CB 0.520 43.129 42.510 0.166 0.000 2.387 323 c HN 0.568 nan 8.230 nan 0.000 0.546 324 L N 3.998 125.312 121.223 0.151 0.000 2.500 324 L HA 0.227 4.568 4.340 0.001 0.000 0.272 324 L C 0.107 177.159 176.870 0.304 0.000 1.149 324 L CA 1.167 56.037 54.840 0.049 0.000 0.897 324 L CB -0.401 41.398 42.059 -0.435 0.000 1.178 324 L HN 0.669 nan 8.230 nan 0.000 0.473 325 D N 3.845 124.406 120.400 0.267 0.000 2.780 325 D HA 0.242 4.882 4.640 0.001 0.000 0.242 325 D C -1.323 175.110 176.300 0.221 0.000 1.135 325 D CA -0.452 53.700 54.000 0.252 0.000 0.859 325 D CB 2.333 43.274 40.800 0.235 0.000 1.530 325 D HN 0.188 nan 8.370 nan 0.000 0.493 326 V N 4.822 124.837 119.914 0.168 0.000 2.368 326 V HA 0.256 4.376 4.120 0.001 0.000 0.266 326 V C -2.030 174.128 176.094 0.107 0.000 1.045 326 V CA -1.533 60.861 62.300 0.157 0.000 0.899 326 V CB 0.903 32.807 31.823 0.136 0.000 1.006 326 V HN 0.483 nan 8.190 nan 0.000 0.470 327 P HA -0.063 nan 4.420 nan 0.000 0.257 327 P C 0.491 177.805 177.300 0.024 0.000 1.153 327 P CA 0.699 63.820 63.100 0.035 0.000 0.762 327 P CB 0.025 31.757 31.700 0.053 0.000 0.743 328 N N 2.729 121.415 118.700 -0.023 0.000 2.693 328 N HA -0.293 4.447 4.740 0.001 0.000 0.249 328 N C 0.474 175.990 175.510 0.010 0.000 1.119 328 N CA 1.270 54.309 53.050 -0.018 0.000 0.717 328 N CB -1.757 36.721 38.487 -0.015 0.000 1.071 328 N HN 0.720 nan 8.380 nan 0.000 0.555 329 A N -1.446 121.407 122.820 0.056 0.000 2.798 329 A HA -0.285 4.036 4.320 0.001 0.000 0.282 329 A C 0.852 178.446 177.584 0.017 0.000 1.464 329 A CA 1.580 53.683 52.037 0.111 0.000 0.844 329 A CB -1.913 17.119 19.000 0.053 0.000 1.006 329 A HN 0.992 nan 8.150 nan 0.000 0.577 330 S N -0.671 115.055 115.700 0.044 0.000 2.573 330 S HA 0.416 4.886 4.470 0.001 0.000 0.277 330 S C 1.383 175.960 174.600 -0.038 0.000 1.346 330 S CA 1.054 59.249 58.200 -0.008 0.000 1.034 330 S CB 0.513 63.736 63.200 0.039 0.000 0.879 330 S HN 1.628 nan 8.310 nan 0.000 0.528 331 T N -0.276 114.205 114.554 -0.122 0.000 3.111 331 T HA 0.216 4.566 4.350 0.001 0.000 0.284 331 T C 0.470 175.156 174.700 -0.024 0.000 0.983 331 T CA 0.129 62.143 62.100 -0.143 0.000 0.900 331 T CB -0.199 68.454 68.868 -0.359 0.000 1.132 331 T HN 0.664 nan 8.240 nan 0.000 0.531 332 T N 1.783 116.340 114.554 0.005 0.000 2.832 332 T HA 0.296 4.647 4.350 0.001 0.000 0.296 332 T C -0.489 174.253 174.700 0.070 0.000 0.968 332 T CA -0.415 61.698 62.100 0.022 0.000 1.107 332 T CB 0.059 68.938 68.868 0.019 0.000 0.916 332 T HN 0.105 nan 8.240 nan 0.000 0.517 333 D N 2.984 123.418 120.400 0.058 0.000 2.493 333 D HA 0.398 5.039 4.640 0.001 0.000 0.240 333 D C 1.464 177.876 176.300 0.186 0.000 1.142 333 D CA 1.643 55.718 54.000 0.125 0.000 0.872 333 D CB 0.413 41.229 40.800 0.025 0.000 1.173 333 D HN 1.006 nan 8.370 nan 0.000 0.467 334 G N 1.689 110.634 108.800 0.241 0.000 2.201 334 G HA2 -0.247 3.713 3.960 0.001 0.000 0.212 334 G HA3 -0.247 3.713 3.960 0.001 0.000 0.212 334 G C 0.484 175.473 174.900 0.147 0.000 0.994 334 G CA 0.004 45.217 45.100 0.189 0.000 0.644 334 G HN 0.568 nan 8.290 nan 0.000 0.508 335 T N 1.895 116.538 114.554 0.148 0.000 2.769 335 T HA 0.404 4.755 4.350 0.001 0.000 0.293 335 T C 0.396 175.180 174.700 0.140 0.000 0.931 335 T CA 0.426 62.604 62.100 0.130 0.000 1.139 335 T CB 1.419 70.365 68.868 0.131 0.000 0.881 335 T HN 0.527 nan 8.240 nan 0.000 0.532 336 Q N 3.455 123.326 119.800 0.117 0.000 2.304 336 Q HA 0.367 4.707 4.340 0.001 0.000 0.260 336 Q C 0.227 176.294 176.000 0.111 0.000 0.965 336 Q CA -0.812 55.056 55.803 0.110 0.000 0.898 336 Q CB 0.697 29.490 28.738 0.092 0.000 1.196 336 Q HN 0.659 nan 8.270 nan 0.000 0.402 337 V N 1.725 121.701 119.914 0.104 0.000 3.133 337 V HA 0.328 4.448 4.120 0.001 0.000 0.305 337 V C -0.339 175.811 176.094 0.093 0.000 1.084 337 V CA -0.254 62.110 62.300 0.108 0.000 1.089 337 V CB 1.084 32.944 31.823 0.062 0.000 1.073 337 V HN 1.003 nan 8.190 nan 0.000 0.477 338 Q N 2.314 122.187 119.800 0.122 0.000 2.683 338 Q HA 0.693 5.033 4.340 0.001 0.000 0.302 338 Q C -1.552 174.554 176.000 0.176 0.000 1.042 338 Q CA -1.163 54.725 55.803 0.141 0.000 0.773 338 Q CB 2.252 31.087 28.738 0.161 0.000 1.508 338 Q HN 0.708 nan 8.270 nan 0.000 0.459 339 L N 1.179 122.517 121.223 0.192 0.000 2.325 339 L HA 0.639 4.980 4.340 0.001 0.000 0.279 339 L C -1.252 175.776 176.870 0.264 0.000 1.054 339 L CA -0.796 54.168 54.840 0.206 0.000 0.804 339 L CB 1.082 43.228 42.059 0.145 0.000 1.200 339 L HN 0.658 nan 8.230 nan 0.000 0.436 340 Y N 0.735 121.107 120.300 0.120 0.000 2.592 340 Y HA 0.193 4.743 4.550 0.001 0.000 0.334 340 Y C -0.697 175.284 175.900 0.135 0.000 1.136 340 Y CA -1.138 57.035 58.100 0.121 0.000 1.042 340 Y CB 1.681 40.230 38.460 0.148 0.000 1.325 340 Y HN 0.541 nan 8.280 nan 0.000 0.457 341 D N 2.704 122.974 120.400 -0.217 0.000 2.581 341 D HA -0.017 4.623 4.640 0.001 0.000 0.238 341 D C -0.145 176.338 176.300 0.306 0.000 1.145 341 D CA 0.770 54.774 54.000 0.007 0.000 0.866 341 D CB 0.319 41.052 40.800 -0.111 0.000 1.151 341 D HN 0.467 nan 8.370 nan 0.000 0.500 342 c N 4.856 123.578 118.600 0.203 0.000 2.642 342 c HA 0.199 4.769 4.570 0.001 0.000 0.420 342 c C 0.673 174.927 174.090 0.273 0.000 1.349 342 c CA -0.087 56.364 56.329 0.202 0.000 1.821 342 c CB -0.993 41.587 42.510 0.117 0.000 2.637 342 c HN 0.709 nan 8.230 nan 0.000 0.605 343 H N -0.456 118.675 119.070 0.101 0.000 3.037 343 H HA 0.349 4.906 4.556 0.001 0.000 0.336 343 H C -0.891 174.471 175.328 0.058 0.000 1.323 343 H CA -0.471 55.623 56.048 0.077 0.000 1.159 343 H CB 0.711 30.527 29.762 0.091 0.000 1.882 343 H HN 0.558 nan 8.280 nan 0.000 0.535 344 S N 1.515 117.250 115.700 0.059 0.000 2.481 344 S HA 0.601 5.072 4.470 0.001 0.000 0.282 344 S C 0.174 174.750 174.600 -0.041 0.000 1.243 344 S CA 0.099 58.291 58.200 -0.013 0.000 1.078 344 S CB -0.223 62.999 63.200 0.036 0.000 0.916 344 S HN 1.177 nan 8.310 nan 0.000 0.495 345 A N 3.037 125.773 122.820 -0.140 0.000 2.580 345 A HA 0.560 4.881 4.320 0.001 0.000 0.301 345 A C 0.807 178.309 177.584 -0.136 0.000 1.054 345 A CA -0.381 51.591 52.037 -0.108 0.000 0.751 345 A CB -0.121 18.792 19.000 -0.145 0.000 1.275 345 A HN 1.220 nan 8.150 nan 0.000 0.403 346 T N -0.000 114.512 114.554 -0.070 0.000 2.737 346 T HA -0.224 4.126 4.350 0.001 0.000 0.269 346 T C 1.192 175.732 174.700 -0.266 0.000 1.040 346 T CA 1.921 63.960 62.100 -0.101 0.000 1.142 346 T CB -0.677 68.226 68.868 0.058 0.000 0.861 346 T HN 1.045 nan 8.240 nan 0.000 0.456 347 N N 1.279 119.889 118.700 -0.149 0.000 2.567 347 N HA -0.074 4.667 4.740 0.001 0.000 0.195 347 N C 1.127 176.435 175.510 -0.337 0.000 1.242 347 N CA 0.380 53.267 53.050 -0.272 0.000 0.884 347 N CB -0.236 38.267 38.487 0.026 0.000 1.007 347 N HN 0.637 nan 8.380 nan 0.000 0.450 348 Q N -0.903 118.690 119.800 -0.345 0.000 2.113 348 Q HA 0.179 4.520 4.340 0.001 0.000 0.225 348 Q C -0.536 175.325 176.000 -0.231 0.000 0.786 348 Q CA -0.205 55.488 55.803 -0.184 0.000 0.989 348 Q CB 0.870 29.523 28.738 -0.142 0.000 1.174 348 Q HN 0.248 nan 8.270 nan 0.000 0.470 349 Q N 0.260 119.790 119.800 -0.450 0.000 2.421 349 Q HA 0.161 4.502 4.340 0.001 0.000 0.242 349 Q C -1.315 174.388 176.000 -0.494 0.000 1.024 349 Q CA 0.183 55.794 55.803 -0.320 0.000 0.891 349 Q CB 0.341 28.941 28.738 -0.230 0.000 1.222 349 Q HN 0.123 nan 8.270 nan 0.000 0.483 350 W N 1.417 122.644 121.300 -0.123 0.000 2.478 350 W HA 0.359 5.020 4.660 0.001 0.000 0.318 350 W C 0.173 176.657 176.519 -0.058 0.000 1.062 350 W CA -0.500 56.774 57.345 -0.118 0.000 1.210 350 W CB 1.452 30.822 29.460 -0.150 0.000 1.325 350 W HN 0.164 nan 8.180 nan 0.000 0.496 351 T N 3.101 117.753 114.554 0.163 0.000 2.770 351 T HA 0.159 4.509 4.350 0.001 0.000 0.283 351 T C -1.364 173.449 174.700 0.187 0.000 0.988 351 T CA -0.471 61.709 62.100 0.133 0.000 0.957 351 T CB 0.341 69.242 68.868 0.055 0.000 0.930 351 T HN 0.168 nan 8.240 nan 0.000 0.443 352 Y N 4.333 124.668 120.300 0.059 0.000 2.365 352 Y HA 0.391 4.941 4.550 0.001 0.000 0.340 352 Y C 0.960 176.890 175.900 0.051 0.000 1.016 352 Y CA -0.774 57.358 58.100 0.054 0.000 1.196 352 Y CB 0.249 38.729 38.460 0.033 0.000 1.167 352 Y HN 0.718 nan 8.280 nan 0.000 0.509 353 T N 0.964 115.315 114.554 -0.339 0.000 2.881 353 T HA 0.188 4.538 4.350 0.001 0.000 0.278 353 T C 0.729 175.202 174.700 -0.378 0.000 0.982 353 T CA -0.712 61.237 62.100 -0.250 0.000 0.989 353 T CB 1.045 69.826 68.868 -0.145 0.000 1.058 353 T HN 0.569 nan 8.240 nan 0.000 0.529 354 D N 0.757 121.053 120.400 -0.173 0.000 2.263 354 D HA -0.011 4.629 4.640 0.001 0.000 0.208 354 D C 2.024 178.246 176.300 -0.131 0.000 0.971 354 D CA 1.252 55.182 54.000 -0.116 0.000 0.867 354 D CB -0.447 40.332 40.800 -0.036 0.000 0.929 354 D HN 0.755 nan 8.370 nan 0.000 0.492 355 A N -0.297 122.434 122.820 -0.149 0.000 2.238 355 A HA 0.382 4.702 4.320 0.001 0.000 0.208 355 A C 1.785 179.263 177.584 -0.176 0.000 1.177 355 A CA 1.095 53.060 52.037 -0.120 0.000 0.804 355 A CB -0.082 18.862 19.000 -0.093 0.000 0.823 355 A HN 0.250 nan 8.150 nan 0.000 0.482 356 G N -0.673 107.919 108.800 -0.346 0.000 2.157 356 G HA2 -0.202 3.758 3.960 0.001 0.000 0.239 356 G HA3 -0.202 3.758 3.960 0.001 0.000 0.239 356 G C -0.148 174.644 174.900 -0.181 0.000 0.982 356 G CA 0.223 45.096 45.100 -0.380 0.000 0.650 356 G HN 0.620 nan 8.290 nan 0.000 0.527 357 E N -0.631 119.469 120.200 -0.167 0.000 2.345 357 E HA 0.661 5.011 4.350 0.001 0.000 0.259 357 E C 0.150 176.833 176.600 0.138 0.000 1.117 357 E CA -0.477 55.970 56.400 0.078 0.000 0.913 357 E CB 1.219 30.940 29.700 0.036 0.000 1.057 357 E HN 0.204 nan 8.360 nan 0.000 0.432 358 L N 2.480 123.858 121.223 0.258 0.000 2.384 358 L HA 0.348 4.688 4.340 0.001 0.000 0.261 358 L C -0.175 176.902 176.870 0.345 0.000 1.024 358 L CA -0.323 54.661 54.840 0.239 0.000 0.899 358 L CB 0.615 42.645 42.059 -0.049 0.000 1.243 358 L HN 0.299 nan 8.230 nan 0.000 0.449 359 R N 1.429 122.070 120.500 0.234 0.000 2.500 359 R HA 0.657 4.997 4.340 0.001 0.000 0.275 359 R C -0.808 175.454 176.300 -0.064 0.000 1.051 359 R CA -0.477 55.696 56.100 0.122 0.000 1.088 359 R CB 2.396 32.727 30.300 0.052 0.000 1.063 359 R HN 0.240 nan 8.270 nan 0.000 0.511 360 V N 3.112 122.866 119.914 -0.266 0.000 2.971 360 V HA 0.201 4.321 4.120 0.001 0.000 0.309 360 V C -1.041 174.790 176.094 -0.438 0.000 1.130 360 V CA -0.443 61.425 62.300 -0.720 0.000 0.964 360 V CB 1.346 32.305 31.823 -1.440 0.000 1.029 360 V HN 0.922 nan 8.190 nan 0.000 0.427 361 Y N 3.996 124.157 120.300 -0.231 0.000 4.899 361 Y HA -0.246 4.305 4.550 0.001 0.000 0.241 361 Y C 1.701 177.547 175.900 -0.090 0.000 0.976 361 Y CA 1.737 59.751 58.100 -0.144 0.000 1.952 361 Y CB -1.918 36.469 38.460 -0.122 0.000 1.496 361 Y HN 1.747 nan 8.280 nan 0.000 0.545 362 G N -0.995 107.817 108.800 0.021 0.000 2.399 362 G HA2 -0.330 3.631 3.960 0.001 0.000 0.216 362 G HA3 -0.330 3.631 3.960 0.001 0.000 0.216 362 G C 0.506 175.428 174.900 0.037 0.000 1.096 362 G CA 0.517 45.631 45.100 0.024 0.000 0.650 362 G HN 0.451 nan 8.290 nan 0.000 0.512 363 D N 0.365 120.802 120.400 0.062 0.000 2.582 363 D HA 0.278 4.919 4.640 0.001 0.000 0.246 363 D C 0.275 176.627 176.300 0.087 0.000 1.334 363 D CA 0.027 54.065 54.000 0.064 0.000 0.805 363 D CB 0.210 41.039 40.800 0.048 0.000 1.087 363 D HN 0.221 nan 8.370 nan 0.000 0.499 364 K N 0.063 120.525 120.400 0.105 0.000 2.156 364 K HA 0.511 4.832 4.320 0.001 0.000 0.254 364 K C -0.644 176.047 176.600 0.151 0.000 0.950 364 K CA -0.519 55.852 56.287 0.139 0.000 0.849 364 K CB 1.842 34.459 32.500 0.195 0.000 1.100 364 K HN -0.035 nan 8.250 nan 0.000 0.434 365 c N 2.004 120.743 118.600 0.230 0.000 2.507 365 c HA 0.355 4.926 4.570 0.001 0.000 0.319 365 c C -0.225 174.080 174.090 0.358 0.000 1.208 365 c CA -0.984 55.514 56.329 0.282 0.000 1.619 365 c CB 1.133 43.794 42.510 0.251 0.000 2.230 365 c HN 0.741 nan 8.230 nan 0.000 0.492 366 L N 4.095 125.540 121.223 0.370 0.000 2.513 366 L HA 0.251 4.591 4.340 0.001 0.000 0.272 366 L C 0.069 177.222 176.870 0.472 0.000 1.187 366 L CA 1.393 56.374 54.840 0.234 0.000 0.895 366 L CB -0.072 41.802 42.059 -0.308 0.000 1.147 366 L HN 0.665 nan 8.230 nan 0.000 0.483 367 D N 4.325 124.964 120.400 0.398 0.000 2.780 367 D HA 0.562 5.203 4.640 0.001 0.000 0.242 367 D C -1.490 175.001 176.300 0.319 0.000 1.135 367 D CA -0.477 53.750 54.000 0.378 0.000 0.859 367 D CB 2.150 43.142 40.800 0.320 0.000 1.530 367 D HN 0.653 nan 8.370 nan 0.000 0.493 368 A N 2.316 125.282 122.820 0.243 0.000 2.273 368 A HA 0.645 4.965 4.320 0.001 0.000 0.315 368 A C -0.129 177.492 177.584 0.062 0.000 1.256 368 A CA -0.565 51.573 52.037 0.168 0.000 0.851 368 A CB 1.075 20.154 19.000 0.132 0.000 1.172 368 A HN 0.527 nan 8.150 nan 0.000 0.508 369 A N 2.761 125.614 122.820 0.055 0.000 3.015 369 A HA 0.652 4.972 4.320 0.001 0.000 0.293 369 A C 0.823 178.416 177.584 0.016 0.000 1.572 369 A CA 0.449 52.494 52.037 0.013 0.000 1.274 369 A CB -1.035 17.972 19.000 0.011 0.000 1.156 369 A HN 2.625 nan 8.150 nan 0.000 0.562 370 G N -0.103 108.700 108.800 0.005 0.000 2.355 370 G HA2 0.270 4.230 3.960 0.001 0.000 0.619 370 G HA3 0.270 4.230 3.960 0.001 0.000 0.619 370 G C 0.158 175.055 174.900 -0.006 0.000 1.337 370 G CA 0.270 45.371 45.100 0.002 0.000 0.993 370 G HN 1.326 nan 8.290 nan 0.000 0.599 371 T N -2.245 112.301 114.554 -0.014 0.000 3.043 371 T HA 0.590 4.941 4.350 0.001 0.000 0.272 371 T C 1.140 175.823 174.700 -0.029 0.000 0.990 371 T CA 1.244 63.328 62.100 -0.026 0.000 0.897 371 T CB 0.715 69.561 68.868 -0.036 0.000 1.111 371 T HN 1.807 nan 8.240 nan 0.000 0.529 372 G N 1.184 109.970 108.800 -0.022 0.000 2.502 372 G HA2 0.502 4.462 3.960 0.001 0.000 0.305 372 G HA3 0.502 4.462 3.960 0.001 0.000 0.305 372 G C -0.412 174.461 174.900 -0.045 0.000 1.190 372 G CA -0.799 44.277 45.100 -0.041 0.000 0.933 372 G HN 0.207 nan 8.290 nan 0.000 0.503 373 N N -0.442 118.189 118.700 -0.114 0.000 2.407 373 N HA 0.254 4.995 4.740 0.001 0.000 0.250 373 N C 1.379 176.905 175.510 0.027 0.000 1.236 373 N CA 1.451 54.408 53.050 -0.155 0.000 0.879 373 N CB 1.089 39.303 38.487 -0.455 0.000 1.088 373 N HN 1.126 nan 8.380 nan 0.000 0.450 374 G N 0.556 109.447 108.800 0.152 0.000 2.199 374 G HA2 -0.295 3.665 3.960 0.001 0.000 0.254 374 G HA3 -0.295 3.665 3.960 0.001 0.000 0.254 374 G C 0.211 175.173 174.900 0.104 0.000 0.982 374 G CA 0.482 45.671 45.100 0.149 0.000 0.632 374 G HN 0.636 nan 8.290 nan 0.000 0.529 375 T N 2.733 117.340 114.554 0.087 0.000 2.871 375 T HA 0.389 4.740 4.350 0.001 0.000 0.296 375 T C 0.918 175.677 174.700 0.098 0.000 0.998 375 T CA 0.796 62.943 62.100 0.078 0.000 1.162 375 T CB 0.643 69.551 68.868 0.067 0.000 0.947 375 T HN 0.753 nan 8.240 nan 0.000 0.536 376 K N 2.106 122.558 120.400 0.088 0.000 2.326 376 K HA 0.355 4.676 4.320 0.001 0.000 0.275 376 K C -0.810 175.854 176.600 0.107 0.000 1.018 376 K CA -0.711 55.631 56.287 0.092 0.000 0.962 376 K CB 0.583 33.133 32.500 0.083 0.000 0.953 376 K HN 0.215 nan 8.250 nan 0.000 0.475 377 V N 4.133 124.105 119.914 0.097 0.000 2.370 377 V HA 0.139 4.260 4.120 0.001 0.000 0.279 377 V C 0.007 176.152 176.094 0.085 0.000 1.029 377 V CA -0.371 61.984 62.300 0.092 0.000 0.870 377 V CB 0.657 32.480 31.823 -0.001 0.000 0.984 377 V HN 1.008 nan 8.190 nan 0.000 0.451 378 Q N 5.376 125.256 119.800 0.133 0.000 2.991 378 Q HA 0.780 5.121 4.340 0.001 0.000 0.322 378 Q C -0.799 175.337 176.000 0.226 0.000 0.978 378 Q CA -1.099 54.803 55.803 0.165 0.000 0.787 378 Q CB 2.598 31.439 28.738 0.172 0.000 1.492 378 Q HN 0.648 nan 8.270 nan 0.000 0.498 379 I N -2.126 118.601 120.570 0.262 0.000 2.525 379 I HA 0.780 4.951 4.170 0.001 0.000 0.301 379 I C -1.369 174.965 176.117 0.362 0.000 0.992 379 I CA -1.054 60.430 61.300 0.307 0.000 1.162 379 I CB 1.578 39.744 38.000 0.276 0.000 1.332 379 I HN 0.731 nan 8.210 nan 0.000 0.458 380 Y N 2.277 122.700 120.300 0.205 0.000 2.624 380 Y HA 0.411 4.961 4.550 0.001 0.000 0.334 380 Y C -0.512 175.514 175.900 0.210 0.000 1.155 380 Y CA -0.742 57.475 58.100 0.196 0.000 1.046 380 Y CB 2.124 40.719 38.460 0.224 0.000 1.316 380 Y HN 0.763 nan 8.280 nan 0.000 0.457 381 S N 2.213 117.721 115.700 -0.320 0.000 2.563 381 S HA 0.051 4.521 4.470 0.001 0.000 0.294 381 S C -0.426 174.318 174.600 0.240 0.000 1.279 381 S CA -0.135 58.005 58.200 -0.099 0.000 1.069 381 S CB -0.391 62.647 63.200 -0.271 0.000 0.828 381 S HN 0.620 nan 8.310 nan 0.000 0.497 382 c N 5.542 124.272 118.600 0.216 0.000 2.648 382 c HA 0.208 4.779 4.570 0.001 0.000 0.419 382 c C 1.435 175.720 174.090 0.326 0.000 1.352 382 c CA -0.447 56.026 56.329 0.239 0.000 1.816 382 c CB -1.049 41.542 42.510 0.135 0.000 2.598 382 c HN 1.085 nan 8.230 nan 0.000 0.598 383 W N 1.114 122.482 121.300 0.113 0.000 1.526 383 W HA 0.360 5.020 4.660 0.001 0.000 0.218 383 W C 0.683 177.240 176.519 0.064 0.000 0.797 383 W CA 0.119 57.517 57.345 0.087 0.000 0.997 383 W CB -0.864 28.666 29.460 0.117 0.000 0.926 383 W HN 0.946 nan 8.180 nan 0.000 0.483 384 G N 1.614 110.170 108.800 -0.407 0.000 2.141 384 G HA2 -0.166 3.794 3.960 0.001 0.000 0.242 384 G HA3 -0.166 3.794 3.960 0.001 0.000 0.242 384 G C 0.589 174.997 174.900 -0.819 0.000 0.982 384 G CA -0.024 44.808 45.100 -0.446 0.000 0.662 384 G HN 0.696 nan 8.290 nan 0.000 0.527 385 G N -0.502 107.246 108.800 -1.753 0.000 2.544 385 G HA2 0.426 4.386 3.960 0.001 0.000 0.242 385 G HA3 0.426 4.386 3.960 0.001 0.000 0.242 385 G C 0.596 175.079 174.900 -0.694 0.000 1.247 385 G CA 0.411 44.561 45.100 -1.584 0.000 0.840 385 G HN 0.067 nan 8.290 nan 0.000 0.578 386 D N 0.055 120.203 120.400 -0.420 0.000 2.310 386 D HA -0.124 4.517 4.640 0.001 0.000 0.212 386 D C 2.088 178.162 176.300 -0.376 0.000 0.965 386 D CA 0.807 54.612 54.000 -0.324 0.000 0.879 386 D CB 0.181 40.856 40.800 -0.208 0.000 0.921 386 D HN 0.580 nan 8.370 nan 0.000 0.510 387 N N 0.107 118.613 118.700 -0.322 0.000 2.461 387 N HA -0.090 4.650 4.740 0.001 0.000 0.188 387 N C 0.666 175.957 175.510 -0.365 0.000 1.134 387 N CA 0.244 53.109 53.050 -0.308 0.000 0.878 387 N CB 0.093 38.510 38.487 -0.116 0.000 0.972 387 N HN 0.257 nan 8.380 nan 0.000 0.456 388 Q N -0.192 119.364 119.800 -0.407 0.000 2.139 388 Q HA 0.256 4.596 4.340 0.001 0.000 0.219 388 Q C -0.577 175.219 176.000 -0.340 0.000 0.805 388 Q CA -0.067 55.600 55.803 -0.227 0.000 1.024 388 Q CB 0.957 29.596 28.738 -0.166 0.000 1.163 388 Q HN 0.262 nan 8.270 nan 0.000 0.485 389 K N 0.328 120.328 120.400 -0.667 0.000 2.259 389 K HA 0.493 4.814 4.320 0.001 0.000 0.252 389 K C -1.401 174.715 176.600 -0.807 0.000 0.936 389 K CA -0.406 55.585 56.287 -0.494 0.000 0.810 389 K CB 1.382 33.694 32.500 -0.313 0.000 1.143 389 K HN -0.097 nan 8.250 nan 0.000 0.427 390 W N 1.051 122.369 121.300 0.030 0.000 2.950 390 W HA 0.481 5.141 4.660 0.001 0.000 0.340 390 W C -0.337 176.261 176.519 0.131 0.000 1.139 390 W CA -0.845 56.534 57.345 0.057 0.000 1.188 390 W CB 1.152 30.634 29.460 0.037 0.000 1.426 390 W HN 0.174 nan 8.180 nan 0.000 0.531 391 R N 2.006 122.661 120.500 0.258 0.000 2.338 391 R HA 0.518 4.859 4.340 0.001 0.000 0.317 391 R C -0.767 175.574 176.300 0.068 0.000 0.968 391 R CA -0.980 55.212 56.100 0.153 0.000 0.849 391 R CB 1.276 31.626 30.300 0.083 0.000 1.128 391 R HN 0.425 nan 8.270 nan 0.000 0.448 392 L N 3.983 125.173 121.223 -0.054 0.000 2.358 392 L HA 0.220 4.561 4.340 0.001 0.000 0.274 392 L C 0.043 176.872 176.870 -0.068 0.000 1.136 392 L CA -0.629 54.125 54.840 -0.144 0.000 0.970 392 L CB -0.165 41.674 42.059 -0.366 0.000 1.314 392 L HN 0.404 nan 8.230 nan 0.000 0.427 393 N N 0.920 119.612 118.700 -0.013 0.000 2.441 393 N HA -0.047 4.694 4.740 0.001 0.000 0.251 393 N C 1.298 176.799 175.510 -0.015 0.000 1.242 393 N CA 0.190 53.240 53.050 -0.001 0.000 0.898 393 N CB 1.382 39.884 38.487 0.025 0.000 1.100 393 N HN 0.540 nan 8.380 nan 0.000 0.443 394 S N -0.006 115.682 115.700 -0.020 0.000 2.474 394 S HA -0.157 4.313 4.470 0.001 0.000 0.235 394 S C 0.903 175.494 174.600 -0.014 0.000 0.997 394 S CA 0.852 59.038 58.200 -0.024 0.000 0.949 394 S CB -0.095 63.088 63.200 -0.029 0.000 0.766 394 S HN 0.692 nan 8.310 nan 0.000 0.517 395 D N 0.511 120.908 120.400 -0.005 0.000 2.349 395 D HA 0.212 4.853 4.640 0.001 0.000 0.224 395 D C 1.423 177.724 176.300 0.002 0.000 1.029 395 D CA 0.676 54.673 54.000 -0.004 0.000 0.879 395 D CB -0.607 40.192 40.800 -0.002 0.000 0.906 395 D HN 0.583 nan 8.370 nan 0.000 0.528 396 G N 0.111 108.922 108.800 0.018 0.000 2.194 396 G HA2 -0.256 3.704 3.960 0.001 0.000 0.236 396 G HA3 -0.256 3.704 3.960 0.001 0.000 0.236 396 G C 0.340 175.323 174.900 0.138 0.000 0.987 396 G CA 0.299 45.430 45.100 0.052 0.000 0.635 396 G HN 0.808 nan 8.290 nan 0.000 0.520 397 S N -0.131 115.637 115.700 0.112 0.000 2.610 397 S HA 0.766 5.237 4.470 0.001 0.000 0.273 397 S C 0.025 174.714 174.600 0.149 0.000 1.274 397 S CA -0.645 57.664 58.200 0.182 0.000 1.023 397 S CB 1.927 65.197 63.200 0.116 0.000 0.962 397 S HN 0.587 nan 8.310 nan 0.000 0.523 398 I N 2.380 123.048 120.570 0.163 0.000 2.382 398 I HA 0.341 4.512 4.170 0.001 0.000 0.286 398 I C -0.995 175.227 176.117 0.176 0.000 1.002 398 I CA -0.926 60.410 61.300 0.059 0.000 1.135 398 I CB 1.782 39.659 38.000 -0.205 0.000 1.288 398 I HN 0.421 nan 8.210 nan 0.000 0.448 399 V N 4.935 124.972 119.914 0.204 0.000 2.435 399 V HA 0.483 4.603 4.120 0.001 0.000 0.290 399 V C 0.796 177.025 176.094 0.225 0.000 1.030 399 V CA -0.703 61.719 62.300 0.202 0.000 0.881 399 V CB 1.579 33.458 31.823 0.094 0.000 0.983 399 V HN 0.861 nan 8.190 nan 0.000 0.445 400 G N 2.714 111.593 108.800 0.132 0.000 2.361 400 G HA2 0.359 4.320 3.960 0.001 0.000 0.260 400 G HA3 0.359 4.320 3.960 0.001 0.000 0.260 400 G C 0.927 175.661 174.900 -0.276 0.000 1.261 400 G CA -0.255 44.650 45.100 -0.325 0.000 0.897 400 G HN 0.545 nan 8.290 nan 0.000 0.499 401 V N 2.254 121.951 119.914 -0.361 0.000 2.231 401 V HA -0.297 3.824 4.120 0.001 0.000 0.248 401 V C 2.910 178.880 176.094 -0.208 0.000 1.054 401 V CA 2.586 64.743 62.300 -0.240 0.000 1.015 401 V CB -0.682 30.993 31.823 -0.247 0.000 0.638 401 V HN 0.895 nan 8.190 nan 0.000 0.444 402 Q N 0.071 119.720 119.800 -0.251 0.000 2.020 402 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 402 Q C 2.398 178.320 176.000 -0.131 0.000 0.982 402 Q CA 2.589 58.287 55.803 -0.175 0.000 0.838 402 Q CB -0.172 28.457 28.738 -0.182 0.000 0.899 402 Q HN 0.787 nan 8.270 nan 0.000 0.423 403 S N -1.726 113.888 115.700 -0.143 0.000 2.406 403 S HA 0.109 4.579 4.470 0.001 0.000 0.224 403 S C 1.519 176.078 174.600 -0.068 0.000 1.030 403 S CA 0.831 58.978 58.200 -0.089 0.000 0.958 403 S CB 0.083 63.242 63.200 -0.069 0.000 0.811 403 S HN 0.740 nan 8.310 nan 0.000 0.489 404 G N 0.523 109.279 108.800 -0.072 0.000 2.143 404 G HA2 -0.185 3.775 3.960 0.001 0.000 0.249 404 G HA3 -0.185 3.775 3.960 0.001 0.000 0.249 404 G C -0.225 174.669 174.900 -0.009 0.000 0.981 404 G CA 0.393 45.465 45.100 -0.046 0.000 0.665 404 G HN 0.485 nan 8.290 nan 0.000 0.528 405 L N 0.021 121.250 121.223 0.011 0.000 2.375 405 L HA 0.735 5.076 4.340 0.001 0.000 0.268 405 L C 0.999 177.947 176.870 0.131 0.000 1.058 405 L CA -0.805 54.068 54.840 0.056 0.000 0.803 405 L CB 1.414 43.499 42.059 0.044 0.000 1.212 405 L HN 0.218 nan 8.230 nan 0.000 0.451 406 c N 1.335 120.030 118.600 0.159 0.000 2.364 406 c HA 0.468 5.039 4.570 0.001 0.000 0.356 406 c C 0.362 174.591 174.090 0.233 0.000 1.201 406 c CA -1.085 55.364 56.329 0.200 0.000 2.227 406 c CB 0.677 43.296 42.510 0.182 0.000 2.387 406 c HN 0.515 nan 8.230 nan 0.000 0.546 407 L N 3.295 124.652 121.223 0.223 0.000 2.455 407 L HA 0.231 4.572 4.340 0.001 0.000 0.272 407 L C 0.181 177.254 176.870 0.337 0.000 1.174 407 L CA 0.904 55.845 54.840 0.168 0.000 0.869 407 L CB 0.143 42.123 42.059 -0.131 0.000 1.130 407 L HN 0.683 nan 8.230 nan 0.000 0.474 408 D N 3.047 123.609 120.400 0.269 0.000 2.896 408 D HA 0.377 5.018 4.640 0.001 0.000 0.241 408 D C -0.952 175.445 176.300 0.160 0.000 1.188 408 D CA -0.490 53.632 54.000 0.205 0.000 0.879 408 D CB 2.279 43.175 40.800 0.159 0.000 1.553 408 D HN 0.506 nan 8.370 nan 0.000 0.515 409 A N 3.693 126.568 122.820 0.091 0.000 2.350 409 A HA 0.388 4.708 4.320 0.001 0.000 0.293 409 A C 0.476 178.059 177.584 -0.002 0.000 1.231 409 A CA -0.483 51.588 52.037 0.058 0.000 0.883 409 A CB 0.222 19.209 19.000 -0.022 0.000 1.133 409 A HN 0.445 nan 8.150 nan 0.000 0.533 410 V N 3.009 122.935 119.914 0.019 0.000 2.678 410 V HA 0.182 4.303 4.120 0.001 0.000 0.304 410 V C 1.723 177.792 176.094 -0.041 0.000 1.086 410 V CA 1.754 64.049 62.300 -0.009 0.000 1.246 410 V CB -0.380 31.456 31.823 0.022 0.000 0.861 410 V HN 1.881 nan 8.190 nan 0.000 0.491 411 G N 3.972 112.723 108.800 -0.081 0.000 2.233 411 G HA2 -0.051 3.909 3.960 0.001 0.000 0.270 411 G HA3 -0.051 3.909 3.960 0.001 0.000 0.270 411 G C 1.100 175.950 174.900 -0.083 0.000 1.011 411 G CA 0.618 45.668 45.100 -0.083 0.000 0.762 411 G HN 2.490 nan 8.290 nan 0.000 0.511 412 G N -1.552 107.190 108.800 -0.097 0.000 2.179 412 G HA2 0.174 4.134 3.960 0.001 0.000 0.257 412 G HA3 0.174 4.134 3.960 0.001 0.000 0.257 412 G C 1.263 176.117 174.900 -0.077 0.000 1.010 412 G CA 0.888 45.929 45.100 -0.098 0.000 0.736 412 G HN 2.120 nan 8.290 nan 0.000 0.513 413 G N -0.918 107.849 108.800 -0.055 0.000 2.491 413 G HA2 0.518 4.479 3.960 0.001 0.000 0.238 413 G HA3 0.518 4.479 3.960 0.001 0.000 0.238 413 G C 1.054 175.927 174.900 -0.046 0.000 1.277 413 G CA 1.029 46.106 45.100 -0.038 0.000 0.851 413 G HN 1.337 nan 8.290 nan 0.000 0.573 414 T N -1.721 112.807 114.554 -0.044 0.000 2.986 414 T HA 0.550 4.900 4.350 0.001 0.000 0.264 414 T C 1.092 175.766 174.700 -0.043 0.000 0.964 414 T CA 0.662 62.730 62.100 -0.052 0.000 0.895 414 T CB 0.216 69.046 68.868 -0.063 0.000 1.163 414 T HN 0.905 nan 8.240 nan 0.000 0.517 415 A N 2.194 124.994 122.820 -0.033 0.000 2.313 415 A HA 0.533 4.853 4.320 0.001 0.000 0.261 415 A C 0.306 177.869 177.584 -0.034 0.000 1.090 415 A CA -0.613 51.400 52.037 -0.040 0.000 0.807 415 A CB -0.021 18.964 19.000 -0.025 0.000 1.055 415 A HN 0.402 nan 8.150 nan 0.000 0.492 416 N N -0.149 118.501 118.700 -0.084 0.000 2.454 416 N HA 0.302 5.042 4.740 0.001 0.000 0.254 416 N C 1.164 176.722 175.510 0.080 0.000 1.228 416 N CA 1.707 54.702 53.050 -0.091 0.000 0.900 416 N CB 0.940 39.235 38.487 -0.320 0.000 1.089 416 N HN 1.251 nan 8.380 nan 0.000 0.449 417 G N 0.819 109.734 108.800 0.192 0.000 2.213 417 G HA2 -0.273 3.688 3.960 0.001 0.000 0.236 417 G HA3 -0.273 3.688 3.960 0.001 0.000 0.236 417 G C 0.199 175.167 174.900 0.114 0.000 0.991 417 G CA 0.211 45.410 45.100 0.166 0.000 0.629 417 G HN 0.610 nan 8.290 nan 0.000 0.517 418 T N 2.454 117.063 114.554 0.092 0.000 2.902 418 T HA 0.452 4.803 4.350 0.001 0.000 0.301 418 T C 0.953 175.709 174.700 0.093 0.000 1.012 418 T CA 0.255 62.398 62.100 0.072 0.000 1.151 418 T CB 0.802 69.700 68.868 0.051 0.000 0.946 418 T HN 0.369 nan 8.240 nan 0.000 0.542 419 L N 3.604 124.875 121.223 0.080 0.000 2.421 419 L HA 0.462 4.803 4.340 0.001 0.000 0.263 419 L C 0.151 177.073 176.870 0.087 0.000 1.122 419 L CA -1.079 53.812 54.840 0.085 0.000 0.804 419 L CB 0.533 42.637 42.059 0.075 0.000 1.150 419 L HN 0.372 nan 8.230 nan 0.000 0.457 420 I N 1.628 122.248 120.570 0.082 0.000 2.412 420 I HA 0.339 4.510 4.170 0.001 0.000 0.296 420 I C 0.031 176.194 176.117 0.077 0.000 0.987 420 I CA -0.237 61.112 61.300 0.082 0.000 1.180 420 I CB 1.503 39.517 38.000 0.023 0.000 1.340 420 I HN 0.720 nan 8.210 nan 0.000 0.455 421 Q N 5.791 125.654 119.800 0.104 0.000 2.683 421 Q HA 0.722 5.063 4.340 0.001 0.000 0.302 421 Q C -1.797 174.301 176.000 0.162 0.000 1.042 421 Q CA -0.961 54.917 55.803 0.126 0.000 0.773 421 Q CB 2.400 31.220 28.738 0.138 0.000 1.508 421 Q HN 0.443 nan 8.270 nan 0.000 0.459 422 L N 1.157 122.487 121.223 0.179 0.000 2.325 422 L HA 0.648 4.988 4.340 0.001 0.000 0.279 422 L C -1.227 175.787 176.870 0.240 0.000 1.054 422 L CA -0.822 54.136 54.840 0.195 0.000 0.804 422 L CB 1.120 43.270 42.059 0.152 0.000 1.200 422 L HN 0.687 nan 8.230 nan 0.000 0.436 423 Y N 0.137 120.484 120.300 0.080 0.000 2.604 423 Y HA 0.168 4.718 4.550 0.001 0.000 0.331 423 Y C -0.130 175.800 175.900 0.050 0.000 1.158 423 Y CA -0.786 57.348 58.100 0.056 0.000 1.056 423 Y CB 1.793 40.283 38.460 0.051 0.000 1.330 423 Y HN 0.512 nan 8.280 nan 0.000 0.457 424 S N 2.357 117.968 115.700 -0.149 0.000 2.593 424 S HA -0.004 4.466 4.470 0.001 0.000 0.300 424 S C -0.364 174.348 174.600 0.186 0.000 1.267 424 S CA 0.013 58.215 58.200 0.003 0.000 1.065 424 S CB -0.450 62.709 63.200 -0.069 0.000 0.807 424 S HN 0.608 nan 8.310 nan 0.000 0.499 425 c N 3.950 122.618 118.600 0.113 0.000 2.633 425 c HA 0.210 4.780 4.570 0.001 0.000 0.415 425 c C 1.867 176.014 174.090 0.095 0.000 1.393 425 c CA -0.108 56.286 56.329 0.109 0.000 1.700 425 c CB -0.663 41.892 42.510 0.075 0.000 2.541 425 c HN 1.023 nan 8.230 nan 0.000 0.603 426 S N 1.089 116.839 115.700 0.083 0.000 2.733 426 S HA 0.099 4.569 4.470 0.001 0.000 0.247 426 S C 0.648 175.258 174.600 0.016 0.000 1.043 426 S CA 0.002 58.233 58.200 0.053 0.000 1.066 426 S CB -0.203 63.029 63.200 0.053 0.000 1.045 426 S HN 0.837 nan 8.310 nan 0.000 0.586 427 N N 1.185 119.891 118.700 0.009 0.000 2.909 427 N HA -0.112 4.628 4.740 0.001 0.000 0.242 427 N C 0.486 175.972 175.510 -0.041 0.000 0.975 427 N CA 0.944 53.986 53.050 -0.014 0.000 0.921 427 N CB -1.624 36.857 38.487 -0.011 0.000 1.112 427 N HN 0.722 nan 8.380 nan 0.000 0.581 428 G N 0.170 108.941 108.800 -0.048 0.000 2.594 428 G HA2 0.283 4.243 3.960 0.001 0.000 0.243 428 G HA3 0.283 4.243 3.960 0.001 0.000 0.243 428 G C 1.041 175.866 174.900 -0.126 0.000 1.229 428 G CA 0.436 45.488 45.100 -0.080 0.000 0.843 428 G HN 0.282 nan 8.290 nan 0.000 0.578 429 S N 0.018 115.631 115.700 -0.145 0.000 2.474 429 S HA -0.143 4.327 4.470 0.001 0.000 0.235 429 S C 1.618 176.036 174.600 -0.303 0.000 0.997 429 S CA 1.037 59.118 58.200 -0.199 0.000 0.949 429 S CB -0.207 62.895 63.200 -0.162 0.000 0.766 429 S HN 0.731 nan 8.310 nan 0.000 0.517 430 N N 0.904 119.444 118.700 -0.265 0.000 2.370 430 N HA 0.035 4.776 4.740 0.001 0.000 0.198 430 N C 0.729 176.030 175.510 -0.348 0.000 1.156 430 N CA 0.015 52.872 53.050 -0.323 0.000 0.839 430 N CB -0.184 38.186 38.487 -0.196 0.000 0.989 430 N HN 0.591 nan 8.380 nan 0.000 0.468 431 Q N -0.272 119.334 119.800 -0.323 0.000 2.118 431 Q HA 0.285 4.625 4.340 0.001 0.000 0.219 431 Q C -0.418 175.435 176.000 -0.244 0.000 0.794 431 Q CA -0.197 55.518 55.803 -0.147 0.000 1.035 431 Q CB 1.297 30.037 28.738 0.004 0.000 1.177 431 Q HN 0.233 nan 8.270 nan 0.000 0.478 432 R N -0.045 120.098 120.500 -0.595 0.000 2.637 432 R HA 0.530 4.870 4.340 0.001 0.000 0.291 432 R C -1.524 174.310 176.300 -0.777 0.000 0.963 432 R CA -0.329 55.507 56.100 -0.441 0.000 0.901 432 R CB 1.277 31.437 30.300 -0.233 0.000 1.160 432 R HN -0.075 nan 8.270 nan 0.000 0.457 433 W N -0.002 121.252 121.300 -0.077 0.000 3.083 433 W HA 0.399 5.059 4.660 0.001 0.000 0.333 433 W C -0.491 175.981 176.519 -0.078 0.000 1.217 433 W CA -0.740 56.553 57.345 -0.086 0.000 1.170 433 W CB 1.529 30.916 29.460 -0.123 0.000 1.437 433 W HN 0.463 nan 8.180 nan 0.000 0.557 434 T N -0.852 113.799 114.554 0.162 0.000 2.824 434 T HA 0.757 5.108 4.350 0.001 0.000 0.282 434 T C -0.572 174.169 174.700 0.068 0.000 0.993 434 T CA -1.154 60.991 62.100 0.075 0.000 0.967 434 T CB 1.564 70.454 68.868 0.036 0.000 0.960 434 T HN 0.443 nan 8.240 nan 0.000 0.441 435 R N 1.493 122.011 120.500 0.029 0.000 2.474 435 R HA 0.717 5.058 4.340 0.001 0.000 0.295 435 R C 0.515 176.827 176.300 0.020 0.000 0.980 435 R CA -0.833 55.277 56.100 0.017 0.000 0.934 435 R CB 1.739 32.027 30.300 -0.019 0.000 1.101 435 R HN 0.931 nan 8.270 nan 0.000 0.469 436 T N 0.000 114.571 114.554 0.029 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.116 62.100 0.026 0.000 1.349 436 T CB 0.000 68.886 68.868 0.030 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658