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 1o6e_1_B DATA FIRST_RESID 4 DATA SEQUENCE APSVYVCGFV ERPDAPPKDA CLHLDPLTVK SQLPLKKPLP LTVEHLPDAP DATA SEQUENCE VGSVFGLYQS SAGLFSAASI TSGDFLSLLD SIYHDCDIAQ SQRLPLPREP DATA SEQUENCE KVEALHAWLP SLSLASLHPD IPQTTADGGK LSFFDHVSIC ALGRRRGTTA DATA SEQUENCE VYGTDLAWVL KHFSDLEPSI AAQIENDANA AKRESGCPED HPLPLTKLIA DATA SEQUENCE KAIDAGFLRN RVETLRQDRG VANIPAESYL KA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.590 177.584 0.009 0.000 1.274 4 A CA 0.000 52.042 52.037 0.009 0.000 0.836 4 A CB 0.000 19.005 19.000 0.008 0.000 0.831 5 P HA 0.712 nan 4.420 nan 0.000 0.296 5 P C -0.399 176.906 177.300 0.009 0.000 1.306 5 P CA -0.028 63.080 63.100 0.014 0.000 0.818 5 P CB 1.686 33.394 31.700 0.014 0.000 0.969 6 S N 1.369 117.066 115.700 -0.005 0.000 2.566 6 S HA 0.605 5.065 4.470 -0.017 0.000 0.298 6 S C -0.031 174.535 174.600 -0.057 0.000 1.083 6 S CA -0.700 57.473 58.200 -0.046 0.000 0.978 6 S CB 1.340 64.471 63.200 -0.115 0.000 1.073 6 S HN 0.216 nan 8.310 nan 0.000 0.491 7 V N 1.481 121.371 119.914 -0.040 0.000 3.134 7 V HA 0.472 4.582 4.120 -0.017 0.000 0.313 7 V C -1.120 174.918 176.094 -0.092 0.000 1.069 7 V CA -0.575 61.753 62.300 0.046 0.000 1.048 7 V CB 0.589 32.495 31.823 0.138 0.000 1.119 7 V HN 0.906 nan 8.190 nan 0.000 0.461 8 Y N -0.054 120.359 120.300 0.187 0.000 2.391 8 Y HA 0.603 5.144 4.550 -0.015 0.000 0.341 8 Y C -0.249 175.674 175.900 0.039 0.000 0.965 8 Y CA -0.712 57.481 58.100 0.155 0.000 1.067 8 Y CB 2.185 40.757 38.460 0.186 0.000 1.199 8 Y HN 0.293 nan 8.280 nan 0.000 0.450 9 V N 3.381 123.343 119.914 0.080 0.000 2.384 9 V HA 0.538 4.648 4.120 -0.017 0.000 0.287 9 V C -0.402 175.530 176.094 -0.271 0.000 1.020 9 V CA -0.718 61.439 62.300 -0.237 0.000 0.850 9 V CB 0.873 32.568 31.823 -0.215 0.000 0.987 9 V HN 0.865 nan 8.190 nan 0.000 0.436 10 C N 3.101 122.193 119.300 -0.346 0.000 2.898 10 C HA 1.055 5.505 4.460 -0.017 0.000 0.304 10 C C 0.591 175.189 174.990 -0.654 0.000 1.237 10 C CA -0.100 58.626 59.018 -0.487 0.000 1.529 10 C CB 1.469 29.131 27.740 -0.129 0.000 2.021 10 C HN 1.327 nan 8.230 nan 0.000 0.474 11 G N 0.654 108.624 108.800 -1.382 0.000 2.337 11 G HA2 0.424 4.374 3.960 -0.017 0.000 0.298 11 G HA3 0.424 4.374 3.960 -0.017 0.000 0.298 11 G C -1.800 172.378 174.900 -1.204 0.000 1.335 11 G CA -0.748 43.692 45.100 -1.101 0.000 0.875 11 G HN 0.412 nan 8.290 nan 0.000 0.579 12 F N 0.926 120.615 119.950 -0.436 0.000 2.411 12 F HA 0.422 4.940 4.527 -0.015 0.000 0.350 12 F C 1.769 177.444 175.800 -0.208 0.000 1.114 12 F CA -0.135 57.714 58.000 -0.252 0.000 1.135 12 F CB 1.830 40.801 39.000 -0.048 0.000 1.120 12 F HN 0.410 nan 8.300 nan 0.000 0.495 13 V N -0.567 119.291 119.914 -0.093 0.000 2.951 13 V HA 0.079 4.189 4.120 -0.017 0.000 0.255 13 V C -0.042 176.036 176.094 -0.027 0.000 1.088 13 V CA 0.927 63.162 62.300 -0.108 0.000 1.109 13 V CB -0.851 30.849 31.823 -0.206 0.000 0.724 13 V HN 0.781 nan 8.190 nan 0.000 0.471 14 E N -0.210 120.014 120.200 0.039 0.000 2.343 14 E HA 0.578 4.918 4.350 -0.017 0.000 0.286 14 E C -0.888 175.757 176.600 0.074 0.000 0.915 14 E CA -0.683 55.744 56.400 0.044 0.000 0.784 14 E CB 1.418 31.126 29.700 0.013 0.000 1.251 14 E HN 0.294 nan 8.360 nan 0.000 0.407 15 R N 3.958 124.472 120.500 0.024 0.000 2.686 15 R HA 0.381 4.711 4.340 -0.017 0.000 0.286 15 R C -2.146 174.131 176.300 -0.037 0.000 0.969 15 R CA -2.280 53.797 56.100 -0.038 0.000 0.898 15 R CB 1.895 32.126 30.300 -0.115 0.000 1.183 15 R HN 0.438 nan 8.270 nan 0.000 0.456 16 P HA -0.091 nan 4.420 nan 0.000 0.221 16 P C 0.316 177.587 177.300 -0.048 0.000 1.155 16 P CA 0.841 63.910 63.100 -0.052 0.000 0.812 16 P CB 0.274 31.944 31.700 -0.051 0.000 0.801 17 D N -0.508 119.858 120.400 -0.056 0.000 2.363 17 D HA 0.005 4.635 4.640 -0.017 0.000 0.226 17 D C 0.558 176.838 176.300 -0.033 0.000 1.020 17 D CA 0.299 54.272 54.000 -0.046 0.000 0.892 17 D CB -0.124 40.641 40.800 -0.059 0.000 0.900 17 D HN 0.059 nan 8.370 nan 0.000 0.531 18 A N 1.521 124.324 122.820 -0.029 0.000 3.253 18 A HA 0.347 4.657 4.320 -0.017 0.000 0.290 18 A C -2.644 174.946 177.584 0.011 0.000 0.950 18 A CA -0.992 51.041 52.037 -0.008 0.000 0.986 18 A CB 0.549 19.543 19.000 -0.010 0.000 1.104 18 A HN 0.010 nan 8.150 nan 0.000 0.481 19 P HA 0.358 nan 4.420 nan 0.000 0.286 19 P C -2.675 174.673 177.300 0.082 0.000 1.269 19 P CA -0.812 62.319 63.100 0.051 0.000 0.787 19 P CB 1.285 33.001 31.700 0.025 0.000 0.920 20 P HA 0.279 nan 4.420 nan 0.000 0.276 20 P C 0.582 177.926 177.300 0.073 0.000 1.252 20 P CA -0.465 62.678 63.100 0.071 0.000 0.802 20 P CB 1.625 33.356 31.700 0.052 0.000 1.035 21 K N -0.542 119.873 120.400 0.027 0.000 2.365 21 K HA -0.007 4.303 4.320 -0.017 0.000 0.199 21 K C 0.607 177.172 176.600 -0.058 0.000 1.045 21 K CA 0.495 56.786 56.287 0.006 0.000 0.962 21 K CB 0.015 32.516 32.500 0.002 0.000 0.759 21 K HN 0.481 nan 8.250 nan 0.000 0.469 22 D N -0.102 120.246 120.400 -0.086 0.000 2.308 22 D HA 0.115 4.745 4.640 -0.017 0.000 0.251 22 D C 0.389 176.473 176.300 -0.361 0.000 1.127 22 D CA -0.045 53.862 54.000 -0.154 0.000 0.876 22 D CB 1.679 42.420 40.800 -0.098 0.000 1.176 22 D HN 0.083 nan 8.370 nan 0.000 0.446 23 A N 3.125 125.696 122.820 -0.414 0.000 2.119 23 A HA -0.091 4.219 4.320 -0.017 0.000 0.216 23 A C 2.286 179.648 177.584 -0.370 0.000 1.152 23 A CA 0.783 52.416 52.037 -0.673 0.000 0.708 23 A CB -0.568 18.230 19.000 -0.337 0.000 0.805 23 A HN 0.815 nan 8.150 nan 0.000 0.460 24 C N -0.941 118.236 119.300 -0.206 0.000 2.429 24 C HA -0.008 4.442 4.460 -0.017 0.000 0.277 24 C C 2.342 177.299 174.990 -0.054 0.000 1.262 24 C CA 0.698 59.650 59.018 -0.110 0.000 1.733 24 C CB -1.767 25.921 27.740 -0.086 0.000 2.010 24 C HN 0.480 nan 8.230 nan 0.000 0.483 25 L N 0.328 121.517 121.223 -0.057 0.000 2.081 25 L HA -0.147 4.183 4.340 -0.017 0.000 0.212 25 L C 1.474 178.414 176.870 0.117 0.000 1.080 25 L CA 1.202 56.056 54.840 0.023 0.000 0.754 25 L CB -1.120 40.954 42.059 0.025 0.000 0.893 25 L HN 0.542 nan 8.230 nan 0.000 0.433 26 H N 0.747 119.822 119.070 0.008 0.000 3.140 26 H HA 0.044 4.590 4.556 -0.017 0.000 0.316 26 H C -0.261 175.085 175.328 0.029 0.000 0.986 26 H CA -0.519 55.538 56.048 0.014 0.000 1.397 26 H CB 0.155 29.921 29.762 0.007 0.000 1.377 26 H HN 0.146 nan 8.280 nan 0.000 0.585 27 L N 3.591 124.901 121.223 0.145 0.000 2.296 27 L HA 0.139 4.469 4.340 -0.017 0.000 0.286 27 L C 0.396 177.321 176.870 0.092 0.000 1.023 27 L CA -0.742 54.169 54.840 0.119 0.000 0.812 27 L CB 1.345 43.459 42.059 0.093 0.000 1.223 27 L HN 0.624 nan 8.230 nan 0.000 0.421 28 D N 4.983 125.439 120.400 0.093 0.000 2.346 28 D HA 0.098 4.728 4.640 -0.017 0.000 0.260 28 D C -1.661 174.672 176.300 0.055 0.000 1.252 28 D CA -1.546 52.489 54.000 0.058 0.000 0.895 28 D CB 1.738 42.566 40.800 0.046 0.000 1.097 28 D HN 0.249 nan 8.370 nan 0.000 0.489 29 P HA -0.107 nan 4.420 nan 0.000 0.222 29 P C 1.491 178.810 177.300 0.032 0.000 1.142 29 P CA 0.740 63.865 63.100 0.042 0.000 0.788 29 P CB 0.328 32.042 31.700 0.024 0.000 0.767 30 L N -1.721 119.512 121.223 0.017 0.000 2.044 30 L HA -0.109 4.221 4.340 -0.017 0.000 0.205 30 L C 2.192 179.050 176.870 -0.020 0.000 1.075 30 L CA 1.664 56.503 54.840 -0.001 0.000 0.747 30 L CB -1.519 40.536 42.059 -0.007 0.000 0.903 30 L HN -0.024 nan 8.230 nan 0.000 0.435 31 T N -0.266 114.274 114.554 -0.022 0.000 2.833 31 T HA -0.123 4.217 4.350 -0.017 0.000 0.269 31 T C 2.014 176.663 174.700 -0.085 0.000 1.054 31 T CA 0.964 63.015 62.100 -0.081 0.000 1.135 31 T CB -0.133 68.693 68.868 -0.070 0.000 0.869 31 T HN 0.030 nan 8.240 nan 0.000 0.466 32 V N 1.677 121.618 119.914 0.046 0.000 2.220 32 V HA -0.173 3.937 4.120 -0.017 0.000 0.246 32 V C 2.374 178.499 176.094 0.052 0.000 1.049 32 V CA 1.651 64.044 62.300 0.155 0.000 1.003 32 V CB -0.475 31.453 31.823 0.176 0.000 0.634 32 V HN 0.399 nan 8.190 nan 0.000 0.444 33 K N -0.309 120.109 120.400 0.029 0.000 2.574 33 K HA -0.110 4.200 4.320 -0.017 0.000 0.193 33 K C 2.211 178.794 176.600 -0.028 0.000 1.035 33 K CA 1.046 57.340 56.287 0.011 0.000 0.982 33 K CB -0.079 32.430 32.500 0.015 0.000 0.795 33 K HN 0.432 nan 8.250 nan 0.000 0.491 34 S N 0.374 116.032 115.700 -0.069 0.000 2.388 34 S HA -0.027 4.433 4.470 -0.017 0.000 0.223 34 S C 1.567 176.089 174.600 -0.130 0.000 1.034 34 S CA 0.526 58.668 58.200 -0.097 0.000 0.963 34 S CB 0.107 63.230 63.200 -0.129 0.000 0.827 34 S HN 0.386 nan 8.310 nan 0.000 0.481 35 Q N 0.932 120.598 119.800 -0.225 0.000 2.472 35 Q HA 0.147 4.477 4.340 -0.017 0.000 0.208 35 Q C 1.206 177.136 176.000 -0.117 0.000 0.958 35 Q CA 0.083 55.714 55.803 -0.287 0.000 0.932 35 Q CB -0.409 27.857 28.738 -0.787 0.000 1.007 35 Q HN 0.512 nan 8.270 nan 0.000 0.508 36 L N -0.156 121.031 121.223 -0.060 0.000 6.012 36 L HA -0.329 4.001 4.340 -0.017 0.000 0.053 36 L C -1.173 175.691 176.870 -0.008 0.000 1.922 36 L CA 1.493 56.325 54.840 -0.014 0.000 1.822 36 L CB -1.952 40.099 42.059 -0.013 0.000 2.570 36 L HN 0.232 nan 8.230 nan 0.000 0.949 37 P HA 0.087 nan 4.420 nan 0.000 0.342 37 P C -0.047 177.242 177.300 -0.018 0.000 1.397 37 P CA -0.094 62.992 63.100 -0.024 0.000 0.838 37 P CB -0.093 31.613 31.700 0.011 0.000 2.030 38 L N -1.763 119.460 121.223 -0.001 0.000 2.983 38 L HA 0.072 4.402 4.340 -0.017 0.000 0.244 38 L C 1.324 178.210 176.870 0.026 0.000 1.465 38 L CA -0.198 54.656 54.840 0.024 0.000 1.147 38 L CB -1.086 41.009 42.059 0.060 0.000 1.442 38 L HN 0.135 nan 8.230 nan 0.000 0.452 39 K N 1.987 122.397 120.400 0.016 0.000 1.965 39 K HA -0.037 4.273 4.320 -0.017 0.000 0.218 39 K C 0.098 176.710 176.600 0.020 0.000 1.048 39 K CA 1.332 57.627 56.287 0.013 0.000 0.960 39 K CB -0.244 32.257 32.500 0.003 0.000 0.732 39 K HN 0.479 nan 8.250 nan 0.000 0.444 40 K N 0.597 121.011 120.400 0.023 0.000 2.498 40 K HA 0.352 4.662 4.320 -0.017 0.000 0.254 40 K C -2.777 173.846 176.600 0.039 0.000 0.933 40 K CA -1.929 54.375 56.287 0.028 0.000 0.806 40 K CB 1.967 34.475 32.500 0.013 0.000 1.301 40 K HN -0.122 nan 8.250 nan 0.000 0.432 41 P HA 0.025 nan 4.420 nan 0.000 0.270 41 P C -0.917 176.405 177.300 0.037 0.000 1.221 41 P CA -0.122 63.011 63.100 0.056 0.000 0.788 41 P CB 0.473 32.222 31.700 0.081 0.000 0.904 42 L N 2.264 123.499 121.223 0.021 0.000 2.329 42 L HA 0.416 4.746 4.340 -0.017 0.000 0.279 42 L C -2.328 174.546 176.870 0.007 0.000 1.014 42 L CA -2.461 52.393 54.840 0.022 0.000 0.814 42 L CB 1.810 43.875 42.059 0.010 0.000 1.257 42 L HN 0.157 nan 8.230 nan 0.000 0.424 43 P HA 0.042 nan 4.420 nan 0.000 0.267 43 P C -0.787 176.511 177.300 -0.003 0.000 1.209 43 P CA -0.110 62.992 63.100 0.003 0.000 0.763 43 P CB 0.571 32.269 31.700 -0.004 0.000 0.816 44 L N 5.338 126.524 121.223 -0.061 0.000 2.255 44 L HA 0.427 4.757 4.340 -0.017 0.000 0.289 44 L C 0.293 177.073 176.870 -0.150 0.000 1.046 44 L CA 0.269 55.044 54.840 -0.108 0.000 0.816 44 L CB 0.284 42.264 42.059 -0.132 0.000 1.197 44 L HN 0.394 nan 8.230 nan 0.000 0.427 45 T N 1.335 115.811 114.554 -0.130 0.000 2.940 45 T HA 0.666 5.006 4.350 -0.017 0.000 0.288 45 T C -0.438 174.112 174.700 -0.249 0.000 1.045 45 T CA -0.861 61.128 62.100 -0.186 0.000 1.018 45 T CB 1.637 70.428 68.868 -0.128 0.000 1.151 45 T HN 0.164 nan 8.240 nan 0.000 0.529 46 V N 2.704 122.457 119.914 -0.269 0.000 2.318 46 V HA 0.375 4.485 4.120 -0.017 0.000 0.271 46 V C 0.077 176.088 176.094 -0.138 0.000 1.030 46 V CA -0.376 61.765 62.300 -0.264 0.000 0.844 46 V CB 0.054 31.699 31.823 -0.296 0.000 1.015 46 V HN 1.069 nan 8.190 nan 0.000 0.460 47 E N 4.744 124.865 120.200 -0.133 0.000 2.513 47 E HA -0.231 4.109 4.350 -0.017 0.000 0.257 47 E C 0.565 177.226 176.600 0.103 0.000 1.098 47 E CA 0.817 57.217 56.400 -0.000 0.000 0.752 47 E CB -1.528 28.219 29.700 0.080 0.000 1.324 47 E HN 1.063 nan 8.360 nan 0.000 0.403 48 H N -3.113 115.990 119.070 0.055 0.000 2.958 48 H HA -0.219 4.325 4.556 -0.019 0.000 0.274 48 H C 0.331 175.656 175.328 -0.006 0.000 1.184 48 H CA 1.289 57.416 56.048 0.131 0.000 1.143 48 H CB -1.738 28.108 29.762 0.140 0.000 1.297 48 H HN 0.230 nan 8.280 nan 0.000 0.356 49 L N 1.739 122.962 121.223 -0.001 0.000 2.261 49 L HA 0.143 4.473 4.340 -0.017 0.000 0.289 49 L C -1.161 175.616 176.870 -0.154 0.000 1.059 49 L CA -1.681 53.122 54.840 -0.062 0.000 0.816 49 L CB 1.167 43.193 42.059 -0.056 0.000 1.191 49 L HN -0.175 nan 8.230 nan 0.000 0.431 50 P HA -0.165 nan 4.420 nan 0.000 0.221 50 P C 0.510 177.661 177.300 -0.247 0.000 1.145 50 P CA 1.071 64.046 63.100 -0.208 0.000 0.795 50 P CB 0.103 31.709 31.700 -0.157 0.000 0.775 51 D N -1.575 118.616 120.400 -0.349 0.000 2.340 51 D HA 0.130 4.760 4.640 -0.017 0.000 0.217 51 D C 0.620 176.633 176.300 -0.478 0.000 1.081 51 D CA -0.044 53.498 54.000 -0.764 0.000 0.842 51 D CB 0.074 40.383 40.800 -0.820 0.000 0.934 51 D HN 0.072 nan 8.370 nan 0.000 0.511 52 A N 1.231 123.892 122.820 -0.266 0.000 2.985 52 A HA 0.419 4.729 4.320 -0.017 0.000 0.303 52 A C -2.647 174.796 177.584 -0.235 0.000 1.048 52 A CA -1.088 50.833 52.037 -0.193 0.000 1.016 52 A CB 0.265 19.179 19.000 -0.144 0.000 1.118 52 A HN -0.058 nan 8.150 nan 0.000 0.529 53 P HA 0.209 nan 4.420 nan 0.000 0.276 53 P C 0.882 178.039 177.300 -0.237 0.000 1.253 53 P CA 0.147 63.137 63.100 -0.183 0.000 0.766 53 P CB 1.437 33.078 31.700 -0.098 0.000 0.845 54 V N 1.132 120.838 119.914 -0.347 0.000 3.556 54 V HA 0.613 4.723 4.120 -0.017 0.000 0.287 54 V C 0.671 176.629 176.094 -0.227 0.000 1.422 54 V CA 0.838 62.873 62.300 -0.442 0.000 1.038 54 V CB 0.082 31.243 31.823 -1.103 0.000 0.850 54 V HN 0.596 nan 8.190 nan 0.000 0.437 55 G N -0.577 108.124 108.800 -0.166 0.000 2.635 55 G HA2 0.572 4.522 3.960 -0.017 0.000 0.194 55 G HA3 0.572 4.522 3.960 -0.017 0.000 0.194 55 G C -1.284 173.582 174.900 -0.057 0.000 1.198 55 G CA 0.278 45.325 45.100 -0.088 0.000 0.972 55 G HN 0.478 nan 8.290 nan 0.000 0.520 56 S N -1.591 114.095 115.700 -0.023 0.000 2.542 56 S HA 0.511 4.971 4.470 -0.017 0.000 0.276 56 S C -1.234 173.369 174.600 0.005 0.000 1.148 56 S CA -0.410 57.791 58.200 0.002 0.000 0.886 56 S CB 1.639 64.865 63.200 0.044 0.000 1.109 56 S HN 0.969 nan 8.310 nan 0.000 0.458 57 V N 5.543 125.424 119.914 -0.054 0.000 2.408 57 V HA 0.324 4.434 4.120 -0.017 0.000 0.267 57 V C 0.220 176.265 176.094 -0.082 0.000 1.047 57 V CA -0.192 62.006 62.300 -0.171 0.000 0.937 57 V CB 0.044 31.752 31.823 -0.190 0.000 0.999 57 V HN 0.790 nan 8.190 nan 0.000 0.472 58 F N 2.008 121.975 119.950 0.029 0.000 2.837 58 F HA 0.817 5.331 4.527 -0.022 0.000 0.298 58 F C 0.677 176.511 175.800 0.056 0.000 1.161 58 F CA -0.923 57.110 58.000 0.054 0.000 1.353 58 F CB 0.100 39.159 39.000 0.098 0.000 0.951 58 F HN 0.582 nan 8.300 nan 0.000 0.508 59 G N 0.446 109.163 108.800 -0.138 0.000 2.318 59 G HA2 0.354 4.304 3.960 -0.017 0.000 0.302 59 G HA3 0.354 4.304 3.960 -0.017 0.000 0.302 59 G C -2.179 172.371 174.900 -0.584 0.000 1.633 59 G CA -1.194 43.724 45.100 -0.303 0.000 0.965 59 G HN 0.319 nan 8.290 nan 0.000 0.698 60 L N 0.616 121.334 121.223 -0.841 0.000 2.401 60 L HA 0.805 5.135 4.340 -0.017 0.000 0.266 60 L C -0.890 175.515 176.870 -0.775 0.000 0.991 60 L CA -1.050 53.444 54.840 -0.575 0.000 0.818 60 L CB 2.342 44.232 42.059 -0.281 0.000 1.321 60 L HN 0.673 nan 8.230 nan 0.000 0.413 61 Y N -0.327 120.002 120.300 0.049 0.000 2.615 61 Y HA 0.509 5.050 4.550 -0.014 0.000 0.341 61 Y C -0.508 175.442 175.900 0.084 0.000 1.089 61 Y CA -0.976 57.164 58.100 0.067 0.000 1.049 61 Y CB 1.694 40.185 38.460 0.052 0.000 1.296 61 Y HN 0.405 nan 8.280 nan 0.000 0.470 62 Q N 0.533 120.468 119.800 0.225 0.000 2.257 62 Q HA 0.771 5.101 4.340 -0.017 0.000 0.262 62 Q C -0.918 175.178 176.000 0.160 0.000 0.997 62 Q CA -0.926 54.982 55.803 0.174 0.000 0.873 62 Q CB 2.487 31.296 28.738 0.119 0.000 1.312 62 Q HN 0.665 nan 8.270 nan 0.000 0.450 63 S N -0.858 114.940 115.700 0.163 0.000 2.638 63 S HA 0.214 4.674 4.470 -0.017 0.000 0.274 63 S C 0.318 174.967 174.600 0.081 0.000 1.157 63 S CA -0.239 58.039 58.200 0.131 0.000 0.826 63 S CB 1.376 64.708 63.200 0.220 0.000 1.139 63 S HN 0.691 nan 8.310 nan 0.000 0.474 64 S N 1.010 116.738 115.700 0.046 0.000 2.595 64 S HA 0.117 4.577 4.470 -0.017 0.000 0.235 64 S C 1.292 175.887 174.600 -0.010 0.000 0.974 64 S CA 0.786 58.995 58.200 0.016 0.000 0.942 64 S CB -0.295 62.908 63.200 0.006 0.000 0.766 64 S HN 0.849 nan 8.310 nan 0.000 0.536 65 A N 0.958 123.771 122.820 -0.011 0.000 1.942 65 A HA 0.708 5.018 4.320 -0.017 0.000 0.209 65 A C 1.227 178.732 177.584 -0.132 0.000 1.214 65 A CA 0.550 52.508 52.037 -0.132 0.000 0.686 65 A CB -0.150 18.683 19.000 -0.278 0.000 0.871 65 A HN 1.259 nan 8.150 nan 0.000 0.460 66 G N -1.850 106.982 108.800 0.054 0.000 2.337 66 G HA2 0.406 4.356 3.960 -0.017 0.000 0.298 66 G HA3 0.406 4.356 3.960 -0.017 0.000 0.298 66 G C -1.417 173.702 174.900 0.365 0.000 1.335 66 G CA -0.394 44.794 45.100 0.146 0.000 0.875 66 G HN 0.766 nan 8.290 nan 0.000 0.579 67 L N 0.378 121.754 121.223 0.257 0.000 2.462 67 L HA 0.683 5.013 4.340 -0.017 0.000 0.272 67 L C -0.413 176.585 176.870 0.213 0.000 1.166 67 L CA -0.122 54.835 54.840 0.196 0.000 0.880 67 L CB 0.151 42.241 42.059 0.053 0.000 1.142 67 L HN 0.505 nan 8.230 nan 0.000 0.473 68 F N 4.336 124.245 119.950 -0.068 0.000 2.469 68 F HA 0.623 5.141 4.527 -0.015 0.000 0.332 68 F C -0.148 175.522 175.800 -0.216 0.000 1.103 68 F CA -0.315 57.465 58.000 -0.366 0.000 0.979 68 F CB 1.561 40.256 39.000 -0.509 0.000 1.137 68 F HN 0.596 nan 8.300 nan 0.000 0.463 69 S N 4.314 119.511 115.700 -0.839 0.000 2.502 69 S HA 0.883 5.343 4.470 -0.017 0.000 0.304 69 S C -0.877 173.301 174.600 -0.704 0.000 1.097 69 S CA -0.758 57.093 58.200 -0.582 0.000 1.045 69 S CB 1.551 64.447 63.200 -0.506 0.000 1.019 69 S HN 0.946 nan 8.310 nan 0.000 0.481 70 A N 2.098 124.650 122.820 -0.445 0.000 2.304 70 A HA 0.935 5.245 4.320 -0.017 0.000 0.314 70 A C -0.017 176.953 177.584 -1.023 0.000 1.187 70 A CA -0.560 51.141 52.037 -0.560 0.000 0.810 70 A CB 0.788 19.618 19.000 -0.283 0.000 1.183 70 A HN 1.586 nan 8.150 nan 0.000 0.487 71 A N 1.287 123.749 122.820 -0.597 0.000 2.524 71 A HA 0.963 5.273 4.320 -0.017 0.000 0.286 71 A C -0.312 177.323 177.584 0.084 0.000 1.203 71 A CA -0.397 51.425 52.037 -0.359 0.000 0.736 71 A CB 1.472 20.325 19.000 -0.244 0.000 1.322 71 A HN 1.566 nan 8.150 nan 0.000 0.424 72 S N -0.572 115.187 115.700 0.099 0.000 2.546 72 S HA 0.598 5.058 4.470 -0.017 0.000 0.272 72 S C -1.405 173.158 174.600 -0.061 0.000 1.140 72 S CA -0.454 57.723 58.200 -0.038 0.000 0.920 72 S CB 0.668 63.782 63.200 -0.143 0.000 1.083 72 S HN 0.544 nan 8.310 nan 0.000 0.476 73 I N 4.104 124.630 120.570 -0.074 0.000 2.297 73 I HA 0.268 4.427 4.170 -0.017 0.000 0.291 73 I C 0.496 176.600 176.117 -0.022 0.000 1.033 73 I CA -0.225 61.059 61.300 -0.027 0.000 1.253 73 I CB 1.499 39.536 38.000 0.061 0.000 1.396 73 I HN 0.689 nan 8.210 nan 0.000 0.476 74 T N 0.952 115.496 114.554 -0.018 0.000 3.132 74 T HA 0.036 4.376 4.350 -0.017 0.000 0.274 74 T C 0.666 175.383 174.700 0.028 0.000 1.011 74 T CA -0.221 61.877 62.100 -0.004 0.000 0.899 74 T CB 0.142 69.001 68.868 -0.015 0.000 1.089 74 T HN 0.474 nan 8.240 nan 0.000 0.543 75 S N 1.737 117.472 115.700 0.059 0.000 2.405 75 S HA 0.430 4.889 4.470 -0.017 0.000 0.291 75 S C 1.771 176.455 174.600 0.140 0.000 1.137 75 S CA -0.317 57.941 58.200 0.098 0.000 1.061 75 S CB 0.174 63.440 63.200 0.111 0.000 1.001 75 S HN 0.462 nan 8.310 nan 0.000 0.507 76 G N 3.782 112.635 108.800 0.088 0.000 2.446 76 G HA2 -0.243 3.707 3.960 -0.017 0.000 0.217 76 G HA3 -0.243 3.707 3.960 -0.017 0.000 0.217 76 G C 1.116 176.069 174.900 0.087 0.000 1.168 76 G CA 1.076 46.219 45.100 0.073 0.000 0.771 76 G HN 0.847 nan 8.290 nan 0.000 0.551 77 D N -0.119 120.344 120.400 0.105 0.000 2.312 77 D HA -0.067 4.563 4.640 -0.017 0.000 0.211 77 D C 1.916 178.308 176.300 0.154 0.000 0.964 77 D CA 0.322 54.387 54.000 0.109 0.000 0.877 77 D CB -0.329 40.533 40.800 0.103 0.000 0.924 77 D HN 0.452 nan 8.370 nan 0.000 0.515 78 F N 0.881 120.855 119.950 0.041 0.000 2.446 78 F HA 0.211 4.733 4.527 -0.008 0.000 0.292 78 F C 2.048 177.878 175.800 0.050 0.000 1.096 78 F CA 0.042 58.073 58.000 0.050 0.000 1.438 78 F CB 0.040 39.047 39.000 0.011 0.000 1.107 78 F HN -0.226 nan 8.300 nan 0.000 0.546 79 L N -0.328 120.938 121.223 0.071 0.000 2.141 79 L HA -0.170 4.160 4.340 -0.017 0.000 0.209 79 L C 2.596 179.425 176.870 -0.069 0.000 1.094 79 L CA 1.469 56.299 54.840 -0.016 0.000 0.763 79 L CB -0.574 41.518 42.059 0.055 0.000 0.908 79 L HN 0.279 nan 8.230 nan 0.000 0.437 80 S N -0.414 115.266 115.700 -0.034 0.000 2.496 80 S HA -0.075 4.385 4.470 -0.017 0.000 0.224 80 S C 1.782 176.364 174.600 -0.029 0.000 0.996 80 S CA 0.270 58.458 58.200 -0.020 0.000 0.927 80 S CB 0.020 63.225 63.200 0.009 0.000 0.774 80 S HN 0.310 nan 8.310 nan 0.000 0.524 81 L N 1.505 122.679 121.223 -0.083 0.000 2.131 81 L HA 0.332 4.662 4.340 -0.017 0.000 0.206 81 L C 1.839 178.667 176.870 -0.070 0.000 1.087 81 L CA 1.579 56.375 54.840 -0.073 0.000 0.767 81 L CB -0.732 41.274 42.059 -0.089 0.000 0.917 81 L HN 0.373 nan 8.230 nan 0.000 0.441 82 L N -0.545 120.585 121.223 -0.156 0.000 2.275 82 L HA -0.116 4.214 4.340 -0.017 0.000 0.215 82 L C 2.236 179.134 176.870 0.046 0.000 1.119 82 L CA 0.986 55.796 54.840 -0.051 0.000 0.790 82 L CB -0.746 41.217 42.059 -0.160 0.000 0.919 82 L HN 0.350 nan 8.230 nan 0.000 0.443 83 D N -0.114 120.296 120.400 0.017 0.000 2.110 83 D HA -0.103 4.527 4.640 -0.017 0.000 0.202 83 D C 2.171 178.580 176.300 0.182 0.000 0.975 83 D CA 1.320 55.355 54.000 0.058 0.000 0.839 83 D CB 0.324 41.126 40.800 0.002 0.000 0.996 83 D HN 0.161 nan 8.370 nan 0.000 0.464 84 S N 1.040 116.829 115.700 0.148 0.000 2.363 84 S HA -0.166 4.294 4.470 -0.017 0.000 0.218 84 S C 2.283 176.965 174.600 0.136 0.000 1.035 84 S CA 0.688 59.027 58.200 0.231 0.000 1.043 84 S CB -0.578 62.678 63.200 0.093 0.000 0.986 84 S HN 0.306 nan 8.310 nan 0.000 0.423 85 I N 0.462 121.037 120.570 0.007 0.000 2.191 85 I HA -0.361 3.799 4.170 -0.017 0.000 0.248 85 I C 2.230 178.328 176.117 -0.031 0.000 1.061 85 I CA 1.905 63.153 61.300 -0.086 0.000 1.329 85 I CB -0.303 37.612 38.000 -0.141 0.000 1.024 85 I HN 0.345 nan 8.210 nan 0.000 0.423 86 Y N 1.869 122.181 120.300 0.020 0.000 2.081 86 Y HA -0.346 4.193 4.550 -0.017 0.000 0.280 86 Y C 2.704 178.653 175.900 0.081 0.000 1.163 86 Y CA 2.293 60.431 58.100 0.063 0.000 1.135 86 Y CB -0.463 38.053 38.460 0.094 0.000 0.970 86 Y HN 0.435 nan 8.280 nan 0.000 0.498 87 H N -1.773 117.361 119.070 0.108 0.000 2.547 87 H HA 0.149 4.695 4.556 -0.017 0.000 0.274 87 H C -0.093 175.204 175.328 -0.051 0.000 1.024 87 H CA 0.888 56.953 56.048 0.028 0.000 1.155 87 H CB -0.285 29.553 29.762 0.126 0.000 1.344 87 H HN 0.439 nan 8.280 nan 0.000 0.598 88 D N 0.263 120.454 120.400 -0.349 0.000 2.503 88 D HA 0.105 4.735 4.640 -0.017 0.000 0.218 88 D C -0.339 175.828 176.300 -0.222 0.000 1.183 88 D CA -0.083 53.731 54.000 -0.310 0.000 0.827 88 D CB 0.152 40.738 40.800 -0.356 0.000 1.034 88 D HN 0.276 nan 8.370 nan 0.000 0.510 89 C N 1.884 121.047 119.300 -0.228 0.000 2.455 89 C HA 0.213 4.663 4.460 -0.017 0.000 0.321 89 C C 1.388 176.251 174.990 -0.211 0.000 1.102 89 C CA -0.686 58.210 59.018 -0.204 0.000 1.413 89 C CB 0.052 27.672 27.740 -0.200 0.000 1.952 89 C HN 0.119 nan 8.230 nan 0.000 0.428 90 D N 2.650 122.961 120.400 -0.148 0.000 2.182 90 D HA -0.132 4.498 4.640 -0.017 0.000 0.201 90 D C 1.905 178.141 176.300 -0.106 0.000 0.986 90 D CA 1.418 55.347 54.000 -0.119 0.000 0.847 90 D CB 0.312 41.066 40.800 -0.077 0.000 0.942 90 D HN 0.592 nan 8.370 nan 0.000 0.467 91 I N 1.104 121.620 120.570 -0.090 0.000 2.394 91 I HA -0.158 4.002 4.170 -0.017 0.000 0.251 91 I C 2.454 178.546 176.117 -0.042 0.000 1.136 91 I CA 0.443 61.714 61.300 -0.048 0.000 1.425 91 I CB -1.109 36.874 38.000 -0.027 0.000 1.079 91 I HN -0.134 nan 8.210 nan 0.000 0.425 92 A N 0.246 122.998 122.820 -0.112 0.000 1.872 92 A HA -0.181 4.129 4.320 -0.017 0.000 0.214 92 A C 2.249 179.724 177.584 -0.182 0.000 1.187 92 A CA 0.970 52.938 52.037 -0.115 0.000 0.614 92 A CB -0.510 18.355 19.000 -0.225 0.000 0.826 92 A HN 0.414 nan 8.150 nan 0.000 0.442 93 Q N 0.778 120.336 119.800 -0.404 0.000 2.030 93 Q HA -0.086 4.244 4.340 -0.017 0.000 0.204 93 Q C 1.374 177.374 176.000 -0.001 0.000 0.986 93 Q CA 1.224 56.867 55.803 -0.266 0.000 0.843 93 Q CB -0.393 28.188 28.738 -0.261 0.000 0.904 93 Q HN 0.717 nan 8.270 nan 0.000 0.420 94 S N 0.267 115.957 115.700 -0.017 0.000 2.572 94 S HA 0.108 4.568 4.470 -0.017 0.000 0.279 94 S C -0.331 174.301 174.600 0.052 0.000 1.341 94 S CA -0.517 57.696 58.200 0.021 0.000 1.043 94 S CB 0.949 64.151 63.200 0.003 0.000 0.887 94 S HN 0.141 nan 8.310 nan 0.000 0.516 95 Q N 0.603 120.434 119.800 0.052 0.000 2.377 95 Q HA 0.441 4.771 4.340 -0.017 0.000 0.271 95 Q C 0.854 176.863 176.000 0.016 0.000 1.077 95 Q CA -0.915 54.916 55.803 0.047 0.000 0.820 95 Q CB 1.883 30.649 28.738 0.047 0.000 1.347 95 Q HN 0.833 nan 8.270 nan 0.000 0.444 96 R N 1.603 122.105 120.500 0.004 0.000 2.062 96 R HA 0.037 4.367 4.340 -0.017 0.000 0.231 96 R C -0.220 176.069 176.300 -0.018 0.000 1.136 96 R CA 1.239 57.336 56.100 -0.005 0.000 0.948 96 R CB 0.288 30.582 30.300 -0.009 0.000 0.845 96 R HN 0.536 nan 8.270 nan 0.000 0.430 97 L N 1.352 122.551 121.223 -0.040 0.000 2.386 97 L HA 0.479 4.809 4.340 -0.017 0.000 0.271 97 L C -2.338 174.491 176.870 -0.067 0.000 0.993 97 L CA -2.748 52.063 54.840 -0.049 0.000 0.819 97 L CB 2.178 44.203 42.059 -0.057 0.000 1.294 97 L HN 0.025 nan 8.230 nan 0.000 0.414 98 P HA 0.179 nan 4.420 nan 0.000 0.261 98 P C -1.024 176.237 177.300 -0.065 0.000 1.183 98 P CA 0.524 63.605 63.100 -0.031 0.000 0.761 98 P CB 0.421 32.113 31.700 -0.012 0.000 0.785 99 L N 4.328 125.520 121.223 -0.052 0.000 2.622 99 L HA 0.424 4.754 4.340 -0.017 0.000 0.258 99 L C -2.463 174.471 176.870 0.107 0.000 0.996 99 L CA -2.441 52.362 54.840 -0.063 0.000 0.858 99 L CB 2.381 44.177 42.059 -0.438 0.000 1.449 99 L HN 0.129 nan 8.230 nan 0.000 0.411 100 P HA 0.021 nan 4.420 nan 0.000 0.267 100 P C -0.894 176.551 177.300 0.243 0.000 1.201 100 P CA -0.189 63.014 63.100 0.172 0.000 0.775 100 P CB 0.379 32.153 31.700 0.123 0.000 0.854 101 R N 2.748 123.327 120.500 0.132 0.000 2.402 101 R HA 0.023 4.353 4.340 -0.017 0.000 0.331 101 R C -0.074 176.216 176.300 -0.016 0.000 1.040 101 R CA 0.358 56.517 56.100 0.098 0.000 0.980 101 R CB -0.132 30.199 30.300 0.053 0.000 0.967 101 R HN 0.329 nan 8.270 nan 0.000 0.440 102 E N 6.329 126.503 120.200 -0.043 0.000 2.376 102 E HA 0.175 4.515 4.350 -0.017 0.000 0.236 102 E C -2.130 174.303 176.600 -0.278 0.000 0.962 102 E CA -2.352 53.931 56.400 -0.195 0.000 0.768 102 E CB 1.525 31.009 29.700 -0.361 0.000 1.236 102 E HN 0.472 nan 8.360 nan 0.000 0.431 103 P HA -0.261 nan 4.420 nan 0.000 0.222 103 P C 1.044 178.185 177.300 -0.265 0.000 0.846 103 P CA 1.559 64.209 63.100 -0.749 0.000 1.068 103 P CB 0.306 31.697 31.700 -0.515 0.000 0.669 104 K N -0.703 119.607 120.400 -0.150 0.000 2.127 104 K HA -0.223 4.087 4.320 -0.017 0.000 0.212 104 K C 1.870 178.436 176.600 -0.056 0.000 1.050 104 K CA 2.358 58.605 56.287 -0.066 0.000 0.929 104 K CB -1.330 31.130 32.500 -0.066 0.000 0.715 104 K HN 0.224 nan 8.250 nan 0.000 0.457 105 V N -1.150 118.734 119.914 -0.050 0.000 2.453 105 V HA -0.132 3.977 4.120 -0.017 0.000 0.247 105 V C 1.790 177.947 176.094 0.105 0.000 1.048 105 V CA 1.397 63.676 62.300 -0.034 0.000 1.049 105 V CB -0.378 31.479 31.823 0.057 0.000 0.672 105 V HN 0.204 nan 8.190 nan 0.000 0.457 106 E N 1.256 121.578 120.200 0.203 0.000 2.204 106 E HA -0.062 4.278 4.350 -0.017 0.000 0.194 106 E C 2.358 179.158 176.600 0.333 0.000 0.989 106 E CA 1.270 57.905 56.400 0.392 0.000 0.824 106 E CB -0.234 29.775 29.700 0.515 0.000 0.756 106 E HN 0.740 nan 8.360 nan 0.000 0.477 107 A N 1.340 124.331 122.820 0.285 0.000 1.897 107 A HA -0.106 4.204 4.320 -0.017 0.000 0.215 107 A C 2.223 179.888 177.584 0.135 0.000 1.181 107 A CA 0.732 52.908 52.037 0.231 0.000 0.620 107 A CB -0.553 18.591 19.000 0.241 0.000 0.821 107 A HN 0.105 nan 8.150 nan 0.000 0.443 108 L N -1.054 120.100 121.223 -0.114 0.000 2.012 108 L HA -0.226 4.104 4.340 -0.017 0.000 0.210 108 L C 2.566 179.227 176.870 -0.348 0.000 1.073 108 L CA 1.407 55.955 54.840 -0.486 0.000 0.748 108 L CB -0.778 40.486 42.059 -1.324 0.000 0.891 108 L HN 0.474 nan 8.230 nan 0.000 0.431 109 H N -0.734 118.288 119.070 -0.080 0.000 2.491 109 H HA -0.010 4.537 4.556 -0.015 0.000 0.290 109 H C 2.094 177.508 175.328 0.143 0.000 1.050 109 H CA 1.310 57.431 56.048 0.122 0.000 1.309 109 H CB 0.194 30.075 29.762 0.198 0.000 1.392 109 H HN 0.395 nan 8.280 nan 0.000 0.554 110 A N 0.024 122.994 122.820 0.251 0.000 1.956 110 A HA -0.060 4.250 4.320 -0.017 0.000 0.212 110 A C 2.147 179.876 177.584 0.242 0.000 1.188 110 A CA 0.263 52.422 52.037 0.203 0.000 0.675 110 A CB -0.368 18.719 19.000 0.145 0.000 0.845 110 A HN 0.380 nan 8.150 nan 0.000 0.455 111 W N 0.333 121.649 121.300 0.027 0.000 2.501 111 W HA 0.282 4.934 4.660 -0.013 0.000 0.309 111 W C -0.093 176.452 176.519 0.043 0.000 1.165 111 W CA 0.946 58.304 57.345 0.022 0.000 1.381 111 W CB -0.308 29.151 29.460 -0.001 0.000 1.142 111 W HN 0.076 nan 8.180 nan 0.000 0.509 112 L N 1.100 122.394 121.223 0.118 0.000 2.556 112 L HA 0.231 4.561 4.340 -0.017 0.000 0.243 112 L C -1.770 175.162 176.870 0.103 0.000 1.331 112 L CA -1.530 53.306 54.840 -0.007 0.000 0.927 112 L CB 1.493 43.398 42.059 -0.257 0.000 1.219 112 L HN -0.280 nan 8.230 nan 0.000 0.490 113 P HA -0.092 nan 4.420 nan 0.000 0.214 113 P C 0.487 177.897 177.300 0.182 0.000 1.163 113 P CA 1.165 64.400 63.100 0.225 0.000 0.889 113 P CB 0.329 32.143 31.700 0.189 0.000 0.790 114 S N -1.241 114.526 115.700 0.112 0.000 2.713 114 S HA 0.456 4.916 4.470 -0.017 0.000 0.277 114 S C 0.057 174.657 174.600 -0.001 0.000 1.168 114 S CA -0.558 57.677 58.200 0.059 0.000 0.994 114 S CB 0.195 63.429 63.200 0.056 0.000 1.054 114 S HN -0.130 nan 8.310 nan 0.000 0.555 115 L N 0.989 122.184 121.223 -0.046 0.000 2.342 115 L HA 0.666 4.996 4.340 -0.017 0.000 0.271 115 L C -0.312 176.500 176.870 -0.095 0.000 1.008 115 L CA -0.387 54.384 54.840 -0.115 0.000 0.818 115 L CB 2.074 44.021 42.059 -0.187 0.000 1.296 115 L HN 0.544 nan 8.230 nan 0.000 0.427 116 S N 2.452 118.071 115.700 -0.136 0.000 2.672 116 S HA 0.527 4.987 4.470 -0.017 0.000 0.291 116 S C -1.335 173.165 174.600 -0.166 0.000 1.145 116 S CA -0.529 57.621 58.200 -0.083 0.000 1.013 116 S CB 1.255 64.494 63.200 0.066 0.000 1.017 116 S HN 0.430 nan 8.310 nan 0.000 0.487 117 L N 5.794 126.919 121.223 -0.164 0.000 2.257 117 L HA 0.847 5.177 4.340 -0.017 0.000 0.290 117 L C -0.082 176.675 176.870 -0.187 0.000 1.044 117 L CA 0.059 54.748 54.840 -0.252 0.000 0.810 117 L CB 0.661 42.534 42.059 -0.311 0.000 1.193 117 L HN 0.725 nan 8.230 nan 0.000 0.425 118 A N 3.719 126.388 122.820 -0.253 0.000 2.324 118 A HA 0.855 5.165 4.320 -0.017 0.000 0.330 118 A C -0.376 177.175 177.584 -0.055 0.000 1.165 118 A CA -0.455 51.506 52.037 -0.126 0.000 0.813 118 A CB 1.002 19.922 19.000 -0.133 0.000 1.197 118 A HN 0.690 nan 8.150 nan 0.000 0.484 119 S N 0.842 116.565 115.700 0.037 0.000 2.536 119 S HA 0.660 5.120 4.470 -0.017 0.000 0.287 119 S C -0.552 174.002 174.600 -0.076 0.000 1.101 119 S CA -0.436 57.789 58.200 0.042 0.000 0.950 119 S CB 1.084 64.318 63.200 0.057 0.000 1.056 119 S HN 0.600 nan 8.310 nan 0.000 0.481 120 L N 2.718 123.885 121.223 -0.093 0.000 2.365 120 L HA 0.629 4.959 4.340 -0.017 0.000 0.267 120 L C -0.380 176.285 176.870 -0.342 0.000 1.033 120 L CA -0.862 53.937 54.840 -0.068 0.000 0.802 120 L CB 0.934 43.051 42.059 0.095 0.000 1.267 120 L HN 0.584 nan 8.230 nan 0.000 0.457 121 H N 0.133 119.271 119.070 0.114 0.000 2.782 121 H HA 0.187 4.735 4.556 -0.012 0.000 0.347 121 H C -2.014 173.372 175.328 0.097 0.000 1.038 121 H CA -1.601 54.488 56.048 0.068 0.000 1.255 121 H CB 2.008 31.783 29.762 0.022 0.000 1.623 121 H HN 0.300 nan 8.280 nan 0.000 0.525 122 P HA -0.171 nan 4.420 nan 0.000 0.225 122 P C 0.176 177.551 177.300 0.126 0.000 1.141 122 P CA 0.835 64.043 63.100 0.182 0.000 0.774 122 P CB 0.063 31.873 31.700 0.183 0.000 0.760 123 D N -0.758 119.722 120.400 0.134 0.000 4.662 123 D HA -0.220 4.410 4.640 -0.017 0.000 0.116 123 D C 1.287 177.623 176.300 0.059 0.000 0.953 123 D CA 1.332 55.385 54.000 0.088 0.000 0.570 123 D CB -0.112 40.744 40.800 0.092 0.000 1.127 123 D HN 0.173 nan 8.370 nan 0.000 0.595 124 I N 1.103 121.696 120.570 0.037 0.000 4.089 124 I HA -0.250 3.910 4.170 -0.017 0.000 0.233 124 I C -1.489 174.643 176.117 0.026 0.000 0.439 124 I CA 0.395 61.711 61.300 0.027 0.000 1.259 124 I CB -1.443 36.575 38.000 0.030 0.000 3.747 124 I HN 0.409 nan 8.210 nan 0.000 1.110 125 P HA 0.101 nan 4.420 nan 0.000 0.251 125 P C -0.607 176.707 177.300 0.022 0.000 1.223 125 P CA 0.492 63.610 63.100 0.029 0.000 0.796 125 P CB 0.207 31.929 31.700 0.038 0.000 1.068 126 Q N -0.599 119.214 119.800 0.022 0.000 3.236 126 Q HA -0.126 4.204 4.340 -0.017 0.000 0.028 126 Q C -0.266 175.736 176.000 0.003 0.000 1.711 126 Q CA 1.191 57.001 55.803 0.010 0.000 0.240 126 Q CB -1.976 26.764 28.738 0.003 0.000 0.587 126 Q HN 0.187 nan 8.270 nan 0.000 0.323 127 T N 0.715 115.263 114.554 -0.010 0.000 2.812 127 T HA 0.790 5.130 4.350 -0.017 0.000 0.294 127 T C -0.521 174.162 174.700 -0.028 0.000 1.159 127 T CA -0.590 61.497 62.100 -0.021 0.000 1.008 127 T CB 2.025 70.870 68.868 -0.038 0.000 1.289 127 T HN 0.446 nan 8.240 nan 0.000 0.514 128 T N 1.657 116.193 114.554 -0.029 0.000 3.305 128 T HA 0.441 4.781 4.350 -0.017 0.000 0.309 128 T C 0.152 174.834 174.700 -0.030 0.000 0.889 128 T CA -0.668 61.415 62.100 -0.028 0.000 1.386 128 T CB 0.372 69.229 68.868 -0.017 0.000 0.929 128 T HN 0.883 nan 8.240 nan 0.000 0.538 129 A N 2.718 125.511 122.820 -0.045 0.000 3.311 129 A HA 0.155 4.465 4.320 -0.017 0.000 0.285 129 A C 0.837 178.404 177.584 -0.028 0.000 2.091 129 A CA 0.160 52.172 52.037 -0.042 0.000 1.442 129 A CB -0.918 18.045 19.000 -0.062 0.000 0.870 129 A HN 0.771 nan 8.150 nan 0.000 0.583 130 D N 0.301 120.690 120.400 -0.020 0.000 2.829 130 D HA -0.160 4.470 4.640 -0.017 0.000 0.219 130 D C 0.735 177.026 176.300 -0.014 0.000 1.239 130 D CA 2.111 56.103 54.000 -0.014 0.000 0.685 130 D CB -1.228 39.565 40.800 -0.011 0.000 0.950 130 D HN 1.764 nan 8.370 nan 0.000 0.398 131 G N -0.535 108.256 108.800 -0.015 0.000 2.798 131 G HA2 0.484 4.434 3.960 -0.017 0.000 0.658 131 G HA3 0.484 4.434 3.960 -0.017 0.000 0.658 131 G C 0.193 175.082 174.900 -0.019 0.000 1.148 131 G CA -0.132 44.960 45.100 -0.014 0.000 1.200 131 G HN 1.221 nan 8.290 nan 0.000 0.519 132 G N 1.252 110.041 108.800 -0.019 0.000 3.101 132 G HA2 0.506 4.456 3.960 -0.017 0.000 0.672 132 G HA3 0.506 4.456 3.960 -0.017 0.000 0.672 132 G C -0.270 174.609 174.900 -0.034 0.000 1.331 132 G CA -0.143 44.943 45.100 -0.024 0.000 0.925 132 G HN 1.663 nan 8.290 nan 0.000 0.596 133 K N 3.496 123.881 120.400 -0.025 0.000 2.258 133 K HA 0.603 4.913 4.320 -0.017 0.000 0.284 133 K C 0.622 177.190 176.600 -0.052 0.000 1.051 133 K CA -0.877 55.394 56.287 -0.028 0.000 0.923 133 K CB 1.985 34.481 32.500 -0.007 0.000 1.046 133 K HN 0.462 nan 8.250 nan 0.000 0.474 134 L N 2.340 123.505 121.223 -0.096 0.000 2.559 134 L HA -0.044 4.286 4.340 -0.017 0.000 0.282 134 L C 0.084 176.831 176.870 -0.206 0.000 1.232 134 L CA 0.799 55.506 54.840 -0.222 0.000 0.885 134 L CB 0.815 42.724 42.059 -0.251 0.000 1.131 134 L HN 0.950 nan 8.230 nan 0.000 0.498 135 S N 3.251 118.669 115.700 -0.470 0.000 2.552 135 S HA 0.606 5.066 4.470 -0.017 0.000 0.272 135 S C -1.363 172.815 174.600 -0.704 0.000 1.150 135 S CA -0.601 57.310 58.200 -0.482 0.000 0.849 135 S CB 0.981 64.063 63.200 -0.196 0.000 1.113 135 S HN 0.338 nan 8.310 nan 0.000 0.458 136 F N 2.667 122.486 119.950 -0.218 0.000 2.536 136 F HA 0.489 5.016 4.527 0.000 0.000 0.322 136 F C -0.328 175.486 175.800 0.023 0.000 1.144 136 F CA -0.765 57.142 58.000 -0.155 0.000 0.924 136 F CB 1.390 40.327 39.000 -0.105 0.000 1.181 136 F HN 0.499 nan 8.300 nan 0.000 0.438 137 F N 3.987 123.994 119.950 0.095 0.000 2.502 137 F HA 0.056 4.568 4.527 -0.024 0.000 0.371 137 F C 1.152 176.984 175.800 0.053 0.000 1.083 137 F CA -0.386 57.629 58.000 0.025 0.000 1.174 137 F CB 0.617 39.612 39.000 -0.008 0.000 1.096 137 F HN 0.616 nan 8.300 nan 0.000 0.545 138 D N 2.212 122.761 120.400 0.249 0.000 2.423 138 D HA -0.021 4.609 4.640 -0.017 0.000 0.212 138 D C 0.290 176.740 176.300 0.250 0.000 1.060 138 D CA 0.550 54.677 54.000 0.212 0.000 0.872 138 D CB 0.426 41.344 40.800 0.197 0.000 1.012 138 D HN 0.630 nan 8.370 nan 0.000 0.503 139 H N -1.699 117.379 119.070 0.014 0.000 2.969 139 H HA 0.420 4.970 4.556 -0.010 0.000 0.304 139 H C -2.157 173.114 175.328 -0.094 0.000 1.400 139 H CA -0.757 55.264 56.048 -0.045 0.000 1.182 139 H CB 0.913 30.645 29.762 -0.049 0.000 1.865 139 H HN -0.180 nan 8.280 nan 0.000 0.512 140 V N 1.628 121.406 119.914 -0.227 0.000 2.540 140 V HA 0.522 4.632 4.120 -0.017 0.000 0.302 140 V C -0.035 175.895 176.094 -0.273 0.000 1.035 140 V CA -0.564 61.541 62.300 -0.325 0.000 0.873 140 V CB 1.634 33.291 31.823 -0.276 0.000 0.992 140 V HN 0.853 nan 8.190 nan 0.000 0.428 141 S N 4.458 119.933 115.700 -0.375 0.000 2.568 141 S HA 0.727 5.187 4.470 -0.017 0.000 0.302 141 S C -0.386 174.036 174.600 -0.296 0.000 1.082 141 S CA -0.598 57.380 58.200 -0.370 0.000 1.009 141 S CB 1.757 64.528 63.200 -0.716 0.000 1.069 141 S HN 0.684 nan 8.310 nan 0.000 0.500 142 I N 0.289 120.716 120.570 -0.238 0.000 2.353 142 I HA 0.742 4.902 4.170 -0.017 0.000 0.293 142 I C -0.123 175.906 176.117 -0.147 0.000 0.992 142 I CA -0.666 60.542 61.300 -0.152 0.000 1.268 142 I CB 0.215 38.150 38.000 -0.108 0.000 1.387 142 I HN 0.679 nan 8.210 nan 0.000 0.478 143 C N 2.769 122.030 119.300 -0.065 0.000 3.213 143 C HA 0.854 5.304 4.460 -0.017 0.000 0.319 143 C C 1.448 176.472 174.990 0.056 0.000 1.386 143 C CA -0.129 58.886 59.018 -0.004 0.000 1.494 143 C CB 1.238 29.001 27.740 0.039 0.000 1.905 143 C HN 0.958 nan 8.230 nan 0.000 0.456 144 A N -0.283 122.597 122.820 0.100 0.000 2.066 144 A HA 0.396 4.706 4.320 -0.017 0.000 0.218 144 A C 0.419 178.068 177.584 0.108 0.000 1.157 144 A CA 1.525 53.639 52.037 0.129 0.000 0.670 144 A CB -0.294 18.795 19.000 0.149 0.000 0.804 144 A HN 1.300 nan 8.150 nan 0.000 0.453 145 L N -1.794 119.485 121.223 0.093 0.000 2.905 145 L HA 0.497 4.827 4.340 -0.017 0.000 0.260 145 L C -0.045 176.869 176.870 0.074 0.000 0.933 145 L CA 0.045 54.934 54.840 0.081 0.000 1.034 145 L CB 0.454 42.560 42.059 0.078 0.000 1.550 145 L HN 0.201 nan 8.230 nan 0.000 0.480 146 G N 3.404 112.240 108.800 0.060 0.000 2.569 146 G HA2 0.356 4.306 3.960 -0.017 0.000 0.249 146 G HA3 0.356 4.306 3.960 -0.017 0.000 0.249 146 G C 0.613 175.542 174.900 0.049 0.000 1.216 146 G CA -0.436 44.696 45.100 0.053 0.000 0.845 146 G HN 0.706 nan 8.290 nan 0.000 0.568 147 R N 0.186 120.712 120.500 0.043 0.000 2.115 147 R HA -0.007 4.323 4.340 -0.017 0.000 0.226 147 R C 0.835 177.153 176.300 0.030 0.000 1.100 147 R CA 0.647 56.765 56.100 0.031 0.000 0.980 147 R CB -0.038 30.273 30.300 0.017 0.000 0.875 147 R HN 0.480 nan 8.270 nan 0.000 0.445 148 R N 1.542 122.059 120.500 0.029 0.000 2.357 148 R HA 0.212 4.542 4.340 -0.017 0.000 0.296 148 R C 0.090 176.411 176.300 0.035 0.000 1.052 148 R CA -0.763 55.357 56.100 0.033 0.000 0.988 148 R CB 0.841 31.158 30.300 0.029 0.000 1.025 148 R HN -0.182 nan 8.270 nan 0.000 0.469 149 R N 0.632 121.153 120.500 0.036 0.000 2.641 149 R HA 0.110 4.440 4.340 -0.017 0.000 0.269 149 R C 1.006 177.329 176.300 0.038 0.000 1.074 149 R CA 0.318 56.440 56.100 0.036 0.000 1.133 149 R CB 0.320 30.637 30.300 0.029 0.000 1.029 149 R HN 1.014 nan 8.270 nan 0.000 0.488 150 G N 0.816 109.646 108.800 0.049 0.000 2.160 150 G HA2 -0.309 3.641 3.960 -0.017 0.000 0.251 150 G HA3 -0.309 3.641 3.960 -0.017 0.000 0.251 150 G C 0.593 175.560 174.900 0.111 0.000 1.008 150 G CA 0.929 46.070 45.100 0.068 0.000 0.724 150 G HN 0.650 nan 8.290 nan 0.000 0.514 151 T N -2.689 111.916 114.554 0.085 0.000 3.107 151 T HA 0.344 4.684 4.350 -0.017 0.000 0.249 151 T C 1.138 175.874 174.700 0.060 0.000 1.096 151 T CA 0.822 62.960 62.100 0.063 0.000 1.012 151 T CB 0.577 69.459 68.868 0.024 0.000 0.977 151 T HN 0.537 nan 8.240 nan 0.000 0.527 152 T N 2.666 117.282 114.554 0.104 0.000 2.905 152 T HA 0.466 4.806 4.350 -0.017 0.000 0.299 152 T C 0.512 175.289 174.700 0.128 0.000 1.024 152 T CA 0.076 62.248 62.100 0.120 0.000 1.151 152 T CB -0.147 68.803 68.868 0.137 0.000 0.987 152 T HN 0.586 nan 8.240 nan 0.000 0.535 153 A N 4.244 127.101 122.820 0.061 0.000 2.298 153 A HA 0.804 5.114 4.320 -0.017 0.000 0.302 153 A C -0.631 176.950 177.584 -0.005 0.000 1.177 153 A CA -0.592 51.408 52.037 -0.060 0.000 0.912 153 A CB 1.038 19.825 19.000 -0.356 0.000 1.331 153 A HN 0.705 nan 8.150 nan 0.000 0.504 154 V N -0.379 119.423 119.914 -0.187 0.000 2.733 154 V HA 0.394 4.504 4.120 -0.017 0.000 0.306 154 V C -1.713 174.163 176.094 -0.364 0.000 1.084 154 V CA -0.303 61.911 62.300 -0.143 0.000 0.905 154 V CB 1.359 33.026 31.823 -0.260 0.000 1.010 154 V HN 0.738 nan 8.190 nan 0.000 0.424 155 Y N 2.145 122.456 120.300 0.018 0.000 2.387 155 Y HA 0.884 5.423 4.550 -0.019 0.000 0.336 155 Y C 0.742 176.737 175.900 0.159 0.000 1.067 155 Y CA -0.182 57.931 58.100 0.022 0.000 1.114 155 Y CB 2.419 40.788 38.460 -0.151 0.000 1.208 155 Y HN 0.826 nan 8.280 nan 0.000 0.458 156 G N -0.175 108.854 108.800 0.382 0.000 2.559 156 G HA2 0.364 4.314 3.960 -0.017 0.000 0.291 156 G HA3 0.364 4.314 3.960 -0.017 0.000 0.291 156 G C -0.319 174.870 174.900 0.481 0.000 1.424 156 G CA -0.753 44.665 45.100 0.531 0.000 0.786 156 G HN 0.410 nan 8.290 nan 0.000 0.485 157 T N 0.169 114.997 114.554 0.457 0.000 3.057 157 T HA 0.214 4.554 4.350 -0.017 0.000 0.254 157 T C -0.191 174.741 174.700 0.387 0.000 1.094 157 T CA 1.045 63.356 62.100 0.351 0.000 1.088 157 T CB -0.124 68.863 68.868 0.198 0.000 0.934 157 T HN 0.705 nan 8.240 nan 0.000 0.497 158 D N 0.685 121.309 120.400 0.372 0.000 2.890 158 D HA 0.224 4.854 4.640 -0.017 0.000 0.233 158 D C 0.821 177.197 176.300 0.127 0.000 1.306 158 D CA -0.655 53.463 54.000 0.196 0.000 0.929 158 D CB 0.996 41.900 40.800 0.174 0.000 1.512 158 D HN -0.005 nan 8.370 nan 0.000 0.568 159 L N 1.482 122.607 121.223 -0.164 0.000 2.089 159 L HA -0.269 4.061 4.340 -0.017 0.000 0.213 159 L C 2.677 179.566 176.870 0.031 0.000 1.079 159 L CA 2.036 56.803 54.840 -0.121 0.000 0.758 159 L CB -0.636 41.276 42.059 -0.244 0.000 0.891 159 L HN 0.630 nan 8.230 nan 0.000 0.433 160 A N 0.104 122.952 122.820 0.047 0.000 1.870 160 A HA -0.327 3.983 4.320 -0.017 0.000 0.219 160 A C 1.992 179.668 177.584 0.154 0.000 1.224 160 A CA 2.479 54.566 52.037 0.084 0.000 0.650 160 A CB -1.412 17.645 19.000 0.096 0.000 0.836 160 A HN 0.668 nan 8.150 nan 0.000 0.454 161 W N 0.449 121.781 121.300 0.052 0.000 2.388 161 W HA -0.085 4.565 4.660 -0.017 0.000 0.294 161 W C 1.988 178.633 176.519 0.210 0.000 1.212 161 W CA 1.885 59.278 57.345 0.080 0.000 1.271 161 W CB -0.520 29.008 29.460 0.113 0.000 1.126 161 W HN 0.107 nan 8.180 nan 0.000 0.535 162 V N 1.253 121.202 119.914 0.058 0.000 2.490 162 V HA -0.281 3.829 4.120 -0.017 0.000 0.250 162 V C 2.201 178.463 176.094 0.280 0.000 1.061 162 V CA 1.780 64.090 62.300 0.018 0.000 1.064 162 V CB -0.847 31.030 31.823 0.090 0.000 0.670 162 V HN 0.205 nan 8.190 nan 0.000 0.461 163 L N -0.165 121.181 121.223 0.204 0.000 2.492 163 L HA -0.002 4.328 4.340 -0.017 0.000 0.223 163 L C 2.406 179.367 176.870 0.152 0.000 1.132 163 L CA 0.540 55.541 54.840 0.268 0.000 0.850 163 L CB -0.340 41.770 42.059 0.083 0.000 0.966 163 L HN 0.270 nan 8.230 nan 0.000 0.454 164 K N -0.008 120.366 120.400 -0.042 0.000 2.147 164 K HA -0.178 4.132 4.320 -0.017 0.000 0.205 164 K C 2.011 178.449 176.600 -0.271 0.000 1.049 164 K CA 1.510 57.694 56.287 -0.171 0.000 0.936 164 K CB -0.238 32.117 32.500 -0.243 0.000 0.722 164 K HN 0.368 nan 8.250 nan 0.000 0.446 165 H N -0.823 118.043 119.070 -0.339 0.000 2.457 165 H HA -0.107 4.439 4.556 -0.016 0.000 0.297 165 H C 0.006 174.995 175.328 -0.565 0.000 1.092 165 H CA 0.983 56.701 56.048 -0.549 0.000 1.309 165 H CB -0.174 29.057 29.762 -0.885 0.000 1.382 165 H HN 0.144 nan 8.280 nan 0.000 0.535 166 F N 1.915 121.953 119.950 0.147 0.000 2.467 166 F HA 0.125 4.643 4.527 -0.015 0.000 0.349 166 F C 1.534 177.382 175.800 0.080 0.000 1.182 166 F CA -0.522 57.584 58.000 0.176 0.000 1.279 166 F CB 0.422 39.581 39.000 0.264 0.000 1.626 166 F HN 0.009 nan 8.300 nan 0.000 0.596 167 S N -1.203 114.574 115.700 0.128 0.000 2.465 167 S HA -0.245 4.215 4.470 -0.017 0.000 0.241 167 S C 0.991 175.639 174.600 0.081 0.000 1.000 167 S CA 1.336 59.577 58.200 0.068 0.000 0.964 167 S CB -0.605 62.609 63.200 0.024 0.000 0.763 167 S HN 0.621 nan 8.310 nan 0.000 0.512 168 D N 0.494 120.973 120.400 0.133 0.000 2.319 168 D HA 0.257 4.887 4.640 -0.017 0.000 0.230 168 D C -0.030 176.349 176.300 0.131 0.000 1.094 168 D CA -0.348 53.707 54.000 0.093 0.000 0.856 168 D CB -0.194 40.628 40.800 0.037 0.000 0.915 168 D HN 0.362 nan 8.370 nan 0.000 0.517 169 L N 1.469 122.773 121.223 0.135 0.000 2.259 169 L HA 0.269 4.599 4.340 -0.017 0.000 0.288 169 L C -0.401 176.441 176.870 -0.047 0.000 1.051 169 L CA -0.865 53.987 54.840 0.021 0.000 0.824 169 L CB 0.453 42.429 42.059 -0.138 0.000 1.206 169 L HN -0.112 nan 8.230 nan 0.000 0.429 170 E N 6.829 127.005 120.200 -0.041 0.000 2.729 170 E HA -0.084 4.256 4.350 -0.017 0.000 0.246 170 E C -1.589 174.963 176.600 -0.081 0.000 0.984 170 E CA -0.458 55.916 56.400 -0.044 0.000 0.951 170 E CB 0.271 29.955 29.700 -0.026 0.000 0.914 170 E HN 0.531 nan 8.360 nan 0.000 0.509 171 P HA -0.271 nan 4.420 nan 0.000 0.218 171 P C 1.369 178.623 177.300 -0.078 0.000 1.146 171 P CA 1.152 64.211 63.100 -0.068 0.000 0.820 171 P CB 0.219 31.894 31.700 -0.041 0.000 0.778 172 S N -1.422 114.240 115.700 -0.063 0.000 2.382 172 S HA -0.146 4.313 4.470 -0.017 0.000 0.228 172 S C 1.753 176.302 174.600 -0.085 0.000 1.027 172 S CA 1.067 59.235 58.200 -0.054 0.000 0.991 172 S CB -0.861 62.322 63.200 -0.028 0.000 0.823 172 S HN -0.005 nan 8.310 nan 0.000 0.469 173 I N 1.296 121.787 120.570 -0.132 0.000 2.193 173 I HA -0.064 4.096 4.170 -0.017 0.000 0.240 173 I C 2.838 178.749 176.117 -0.342 0.000 1.084 173 I CA 1.018 62.176 61.300 -0.237 0.000 1.365 173 I CB -0.595 37.232 38.000 -0.289 0.000 1.064 173 I HN 0.348 nan 8.210 nan 0.000 0.410 174 A N 0.894 123.529 122.820 -0.307 0.000 1.908 174 A HA -0.232 4.078 4.320 -0.017 0.000 0.218 174 A C 2.535 180.014 177.584 -0.174 0.000 1.181 174 A CA 2.103 53.977 52.037 -0.273 0.000 0.627 174 A CB -0.987 17.890 19.000 -0.205 0.000 0.818 174 A HN 0.448 nan 8.150 nan 0.000 0.445 175 A N -0.999 121.746 122.820 -0.125 0.000 1.908 175 A HA -0.256 4.054 4.320 -0.017 0.000 0.218 175 A C 2.235 179.777 177.584 -0.070 0.000 1.181 175 A CA 1.927 53.916 52.037 -0.078 0.000 0.627 175 A CB -0.549 18.418 19.000 -0.056 0.000 0.818 175 A HN 0.675 nan 8.150 nan 0.000 0.445 176 Q N -1.019 118.731 119.800 -0.082 0.000 2.187 176 Q HA -0.043 4.287 4.340 -0.017 0.000 0.199 176 Q C 1.952 177.931 176.000 -0.036 0.000 0.957 176 Q CA 0.873 56.652 55.803 -0.040 0.000 0.857 176 Q CB -0.114 28.620 28.738 -0.006 0.000 0.929 176 Q HN 0.586 nan 8.270 nan 0.000 0.453 177 I N 1.776 122.250 120.570 -0.159 0.000 2.361 177 I HA -0.235 3.925 4.170 -0.017 0.000 0.251 177 I C 1.200 177.336 176.117 0.031 0.000 1.133 177 I CA 1.621 62.845 61.300 -0.126 0.000 1.413 177 I CB -0.397 37.330 38.000 -0.455 0.000 1.073 177 I HN 0.314 nan 8.210 nan 0.000 0.424 178 E N 0.100 120.275 120.200 -0.043 0.000 2.401 178 E HA -0.236 4.104 4.350 -0.017 0.000 0.199 178 E C 1.525 178.092 176.600 -0.055 0.000 1.023 178 E CA 0.916 57.283 56.400 -0.055 0.000 0.859 178 E CB -0.130 29.534 29.700 -0.060 0.000 0.780 178 E HN 0.495 nan 8.360 nan 0.000 0.523 179 N N 0.766 119.454 118.700 -0.021 0.000 2.439 179 N HA -0.083 4.647 4.740 -0.017 0.000 0.176 179 N C 0.936 176.434 175.510 -0.020 0.000 1.029 179 N CA 0.770 53.810 53.050 -0.018 0.000 0.886 179 N CB 0.271 38.761 38.487 0.006 0.000 1.057 179 N HN -0.077 nan 8.380 nan 0.000 0.437 180 D N -0.034 120.392 120.400 0.045 0.000 2.263 180 D HA -0.023 4.607 4.640 -0.017 0.000 0.208 180 D C 1.620 177.783 176.300 -0.229 0.000 0.971 180 D CA 0.976 55.021 54.000 0.076 0.000 0.867 180 D CB -0.183 40.844 40.800 0.379 0.000 0.929 180 D HN 0.426 nan 8.370 nan 0.000 0.492 181 A N 0.599 123.153 122.820 -0.444 0.000 1.872 181 A HA -0.153 4.157 4.320 -0.017 0.000 0.214 181 A C 1.907 179.303 177.584 -0.314 0.000 1.187 181 A CA 1.256 52.834 52.037 -0.764 0.000 0.614 181 A CB -0.602 18.076 19.000 -0.537 0.000 0.826 181 A HN 0.234 nan 8.150 nan 0.000 0.442 182 N N 0.250 118.852 118.700 -0.163 0.000 2.188 182 N HA -0.051 4.679 4.740 -0.017 0.000 0.184 182 N C 1.995 177.466 175.510 -0.065 0.000 1.018 182 N CA 0.849 53.852 53.050 -0.078 0.000 0.858 182 N CB -0.228 38.231 38.487 -0.046 0.000 0.989 182 N HN 0.490 nan 8.380 nan 0.000 0.426 183 A N 1.655 124.435 122.820 -0.067 0.000 1.858 183 A HA -0.045 4.265 4.320 -0.017 0.000 0.216 183 A C 2.369 179.933 177.584 -0.032 0.000 1.190 183 A CA 1.771 53.789 52.037 -0.031 0.000 0.617 183 A CB -0.942 18.056 19.000 -0.004 0.000 0.827 183 A HN 0.332 nan 8.150 nan 0.000 0.443 184 A N -0.636 122.145 122.820 -0.064 0.000 2.070 184 A HA -0.118 4.192 4.320 -0.017 0.000 0.220 184 A C 1.941 179.505 177.584 -0.032 0.000 1.159 184 A CA 1.688 53.706 52.037 -0.031 0.000 0.656 184 A CB -0.475 18.511 19.000 -0.023 0.000 0.800 184 A HN 0.522 nan 8.150 nan 0.000 0.453 185 K N -0.405 119.963 120.400 -0.054 0.000 2.640 185 K HA -0.098 4.212 4.320 -0.017 0.000 0.193 185 K C 1.195 177.788 176.600 -0.011 0.000 1.036 185 K CA 0.356 56.627 56.287 -0.028 0.000 0.962 185 K CB -0.051 32.436 32.500 -0.022 0.000 0.791 185 K HN 0.248 nan 8.250 nan 0.000 0.491 186 R N 0.688 121.184 120.500 -0.007 0.000 2.254 186 R HA 0.017 4.347 4.340 -0.017 0.000 0.195 186 R C 0.236 176.538 176.300 0.003 0.000 0.957 186 R CA 0.118 56.218 56.100 -0.000 0.000 1.024 186 R CB -0.203 30.099 30.300 0.002 0.000 0.952 186 R HN 0.387 nan 8.270 nan 0.000 0.484 187 E N 1.442 121.645 120.200 0.006 0.000 2.604 187 E HA -0.091 4.249 4.350 -0.017 0.000 0.267 187 E C -0.095 176.508 176.600 0.006 0.000 0.970 187 E CA 0.032 56.438 56.400 0.009 0.000 0.956 187 E CB 0.733 30.442 29.700 0.014 0.000 0.939 187 E HN 0.020 nan 8.360 nan 0.000 0.465 188 S N 2.036 117.740 115.700 0.006 0.000 2.163 188 S HA 0.321 4.781 4.470 -0.017 0.000 0.151 188 S C 0.430 175.033 174.600 0.004 0.000 1.382 188 S CA 0.157 58.359 58.200 0.004 0.000 2.383 188 S CB 0.155 63.357 63.200 0.004 0.000 0.325 188 S HN 0.725 nan 8.310 nan 0.000 0.349 189 G N -1.069 107.733 108.800 0.004 0.000 2.739 189 G HA2 0.465 4.415 3.960 -0.017 0.000 0.292 189 G HA3 0.465 4.415 3.960 -0.017 0.000 0.292 189 G C -1.335 173.568 174.900 0.005 0.000 1.444 189 G CA -0.324 44.779 45.100 0.005 0.000 1.144 189 G HN 0.626 nan 8.290 nan 0.000 0.550 190 C N 3.981 123.285 119.300 0.007 0.000 3.206 190 C HA 0.526 4.976 4.460 -0.017 0.000 0.206 190 C C -1.778 173.219 174.990 0.012 0.000 1.836 190 C CA -1.380 57.642 59.018 0.007 0.000 1.382 190 C CB -1.302 26.441 27.740 0.005 0.000 2.405 190 C HN 0.615 nan 8.230 nan 0.000 0.516 191 P HA 0.281 nan 4.420 nan 0.000 0.273 191 P C -0.002 177.309 177.300 0.020 0.000 1.250 191 P CA 0.551 63.664 63.100 0.022 0.000 0.793 191 P CB 0.353 32.066 31.700 0.020 0.000 1.011 192 E N 0.406 120.623 120.200 0.029 0.000 2.222 192 E HA -0.255 4.085 4.350 -0.017 0.000 0.189 192 E C 0.043 176.648 176.600 0.008 0.000 1.415 192 E CA 0.868 57.282 56.400 0.023 0.000 0.689 192 E CB -1.680 28.027 29.700 0.011 0.000 1.107 192 E HN 0.498 nan 8.360 nan 0.000 0.350 193 D N 0.374 120.791 120.400 0.029 0.000 2.392 193 D HA -0.031 4.599 4.640 -0.017 0.000 0.206 193 D C -0.270 176.052 176.300 0.037 0.000 1.046 193 D CA 0.317 54.329 54.000 0.021 0.000 0.865 193 D CB 0.303 41.131 40.800 0.047 0.000 0.969 193 D HN 0.469 nan 8.370 nan 0.000 0.509 194 H N -0.854 118.222 119.070 0.009 0.000 5.921 194 H HA 0.079 4.616 4.556 -0.032 0.000 0.862 194 H C -2.067 173.280 175.328 0.032 0.000 1.975 194 H CA -0.623 55.433 56.048 0.013 0.000 1.466 194 H CB 0.795 30.557 29.762 -0.000 0.000 4.359 194 H HN -0.093 nan 8.280 nan 0.000 0.677 195 P HA -0.252 nan 4.420 nan 0.000 0.228 195 P C -0.463 176.927 177.300 0.150 0.000 0.798 195 P CA 1.781 64.955 63.100 0.123 0.000 1.070 195 P CB 0.330 32.092 31.700 0.104 0.000 0.714 196 L N -5.574 115.740 121.223 0.153 0.000 5.404 196 L HA 0.044 4.374 4.340 -0.017 0.000 0.242 196 L C -2.691 174.259 176.870 0.132 0.000 1.168 196 L CA -1.085 53.848 54.840 0.154 0.000 0.962 196 L CB 1.228 43.422 42.059 0.225 0.000 1.651 196 L HN -0.089 nan 8.230 nan 0.000 0.408 197 P HA 0.084 nan 4.420 nan 0.000 0.232 197 P C 1.241 178.602 177.300 0.103 0.000 1.606 197 P CA 0.176 63.324 63.100 0.080 0.000 1.105 197 P CB 0.031 31.755 31.700 0.039 0.000 1.919 198 L N -0.350 120.935 121.223 0.104 0.000 2.089 198 L HA -0.251 4.079 4.340 -0.017 0.000 0.213 198 L C 1.987 178.898 176.870 0.069 0.000 1.079 198 L CA 1.894 56.789 54.840 0.093 0.000 0.758 198 L CB -1.303 40.793 42.059 0.060 0.000 0.891 198 L HN 0.235 nan 8.230 nan 0.000 0.433 199 T N -0.773 113.815 114.554 0.057 0.000 2.812 199 T HA -0.135 4.205 4.350 -0.017 0.000 0.264 199 T C 1.899 176.631 174.700 0.053 0.000 1.042 199 T CA 1.035 63.162 62.100 0.044 0.000 1.140 199 T CB -0.036 68.853 68.868 0.036 0.000 0.870 199 T HN 0.326 nan 8.240 nan 0.000 0.445 200 K N 0.846 121.283 120.400 0.062 0.000 2.148 200 K HA 0.113 4.423 4.320 -0.017 0.000 0.204 200 K C 2.209 178.869 176.600 0.099 0.000 1.050 200 K CA 0.791 57.117 56.287 0.065 0.000 0.942 200 K CB -0.273 32.256 32.500 0.049 0.000 0.724 200 K HN 0.316 nan 8.250 nan 0.000 0.446 201 L N 0.746 122.051 121.223 0.137 0.000 2.109 201 L HA -0.128 4.202 4.340 -0.017 0.000 0.207 201 L C 2.429 179.401 176.870 0.170 0.000 1.086 201 L CA 0.382 55.358 54.840 0.227 0.000 0.760 201 L CB -0.331 41.938 42.059 0.350 0.000 0.910 201 L HN 0.170 nan 8.230 nan 0.000 0.437 202 I N 0.671 121.292 120.570 0.085 0.000 2.252 202 I HA -0.223 3.937 4.170 -0.017 0.000 0.245 202 I C 2.677 178.827 176.117 0.055 0.000 1.102 202 I CA 1.691 63.010 61.300 0.032 0.000 1.385 202 I CB -0.735 37.267 38.000 0.004 0.000 1.064 202 I HN 0.156 nan 8.210 nan 0.000 0.414 203 A N 0.707 123.564 122.820 0.062 0.000 1.908 203 A HA -0.220 4.090 4.320 -0.017 0.000 0.218 203 A C 2.215 179.848 177.584 0.082 0.000 1.181 203 A CA 1.493 53.566 52.037 0.059 0.000 0.627 203 A CB -0.501 18.528 19.000 0.049 0.000 0.818 203 A HN 0.288 nan 8.150 nan 0.000 0.445 204 K N -0.231 120.236 120.400 0.111 0.000 2.147 204 K HA -0.018 4.292 4.320 -0.017 0.000 0.205 204 K C 2.118 178.814 176.600 0.161 0.000 1.049 204 K CA 1.239 57.609 56.287 0.140 0.000 0.936 204 K CB -0.600 32.004 32.500 0.172 0.000 0.722 204 K HN 0.487 nan 8.250 nan 0.000 0.446 205 A N 1.073 123.984 122.820 0.152 0.000 1.970 205 A HA -0.060 4.250 4.320 -0.017 0.000 0.216 205 A C 1.998 179.643 177.584 0.101 0.000 1.170 205 A CA 0.683 52.795 52.037 0.125 0.000 0.645 205 A CB -0.194 18.824 19.000 0.030 0.000 0.816 205 A HN 0.065 nan 8.150 nan 0.000 0.447 206 I N 0.714 121.343 120.570 0.098 0.000 2.252 206 I HA -0.160 3.999 4.170 -0.017 0.000 0.245 206 I C 1.591 177.816 176.117 0.180 0.000 1.102 206 I CA 1.263 62.636 61.300 0.122 0.000 1.385 206 I CB -1.501 36.554 38.000 0.092 0.000 1.064 206 I HN 0.251 nan 8.210 nan 0.000 0.414 207 D N 1.359 121.843 120.400 0.138 0.000 2.182 207 D HA -0.108 4.522 4.640 -0.017 0.000 0.201 207 D C 1.996 178.408 176.300 0.188 0.000 0.986 207 D CA 1.385 55.470 54.000 0.142 0.000 0.847 207 D CB 0.025 40.883 40.800 0.097 0.000 0.942 207 D HN 0.310 nan 8.370 nan 0.000 0.467 208 A N 0.215 123.132 122.820 0.162 0.000 2.252 208 A HA 0.226 4.536 4.320 -0.017 0.000 0.207 208 A C 2.043 179.698 177.584 0.118 0.000 1.194 208 A CA 1.024 53.146 52.037 0.141 0.000 0.809 208 A CB -0.347 18.738 19.000 0.140 0.000 0.814 208 A HN 0.253 nan 8.150 nan 0.000 0.482 209 G N -2.016 106.877 108.800 0.155 0.000 2.796 209 G HA2 0.219 4.169 3.960 -0.017 0.000 0.210 209 G HA3 0.219 4.169 3.960 -0.017 0.000 0.210 209 G C 0.490 175.312 174.900 -0.130 0.000 1.146 209 G CA 0.157 45.276 45.100 0.033 0.000 0.779 209 G HN 0.399 nan 8.290 nan 0.000 0.535 210 F N 1.014 120.979 119.950 0.024 0.000 2.750 210 F HA 0.470 4.987 4.527 -0.017 0.000 0.297 210 F C 0.363 176.177 175.800 0.023 0.000 1.138 210 F CA -0.572 57.440 58.000 0.021 0.000 1.346 210 F CB 0.422 39.433 39.000 0.018 0.000 0.965 210 F HN -0.142 nan 8.300 nan 0.000 0.514 211 L N 1.763 123.047 121.223 0.101 0.000 2.282 211 L HA 0.362 4.692 4.340 -0.017 0.000 0.287 211 L C 0.336 177.229 176.870 0.039 0.000 1.075 211 L CA -0.434 54.454 54.840 0.080 0.000 0.839 211 L CB 0.432 42.536 42.059 0.075 0.000 1.219 211 L HN 0.047 nan 8.230 nan 0.000 0.434 212 R N 4.262 124.788 120.500 0.043 0.000 2.449 212 R HA 0.087 4.417 4.340 -0.017 0.000 0.296 212 R C 0.136 176.450 176.300 0.023 0.000 1.047 212 R CA -0.322 55.791 56.100 0.023 0.000 1.018 212 R CB 0.075 30.393 30.300 0.030 0.000 0.962 212 R HN 0.579 nan 8.270 nan 0.000 0.428 213 N N 1.611 120.319 118.700 0.014 0.000 2.738 213 N HA -0.221 4.509 4.740 -0.017 0.000 0.249 213 N C 0.554 176.080 175.510 0.026 0.000 1.047 213 N CA 0.788 53.849 53.050 0.017 0.000 0.707 213 N CB -0.593 37.905 38.487 0.018 0.000 0.937 213 N HN 0.665 nan 8.380 nan 0.000 0.545 214 R N 0.249 120.766 120.500 0.028 0.000 2.090 214 R HA 0.068 4.398 4.340 -0.017 0.000 0.219 214 R C 1.585 177.910 176.300 0.042 0.000 1.100 214 R CA 1.094 57.218 56.100 0.040 0.000 0.991 214 R CB 0.123 30.451 30.300 0.047 0.000 0.893 214 R HN 0.118 nan 8.270 nan 0.000 0.443 215 V N 1.417 121.352 119.914 0.035 0.000 2.515 215 V HA -0.163 3.947 4.120 -0.017 0.000 0.250 215 V C 2.197 178.311 176.094 0.033 0.000 1.058 215 V CA 1.927 64.249 62.300 0.037 0.000 1.064 215 V CB -0.427 31.413 31.823 0.027 0.000 0.675 215 V HN 0.442 nan 8.190 nan 0.000 0.461 216 E N -0.150 120.066 120.200 0.027 0.000 2.358 216 E HA -0.142 4.198 4.350 -0.017 0.000 0.195 216 E C 1.969 178.585 176.600 0.028 0.000 1.010 216 E CA 1.270 57.684 56.400 0.024 0.000 0.856 216 E CB 0.130 29.840 29.700 0.018 0.000 0.795 216 E HN 0.601 nan 8.360 nan 0.000 0.504 217 T N 0.535 115.109 114.554 0.034 0.000 3.031 217 T HA 0.010 4.350 4.350 -0.017 0.000 0.254 217 T C 1.439 176.166 174.700 0.046 0.000 1.060 217 T CA 0.064 62.186 62.100 0.037 0.000 1.135 217 T CB 0.100 68.991 68.868 0.039 0.000 0.896 217 T HN 0.058 nan 8.240 nan 0.000 0.472 218 L N 1.162 122.417 121.223 0.052 0.000 2.291 218 L HA 0.188 4.518 4.340 -0.017 0.000 0.214 218 L C 2.357 179.261 176.870 0.058 0.000 1.120 218 L CA 1.254 56.132 54.840 0.064 0.000 0.799 218 L CB -0.500 41.605 42.059 0.076 0.000 0.925 218 L HN 0.110 nan 8.230 nan 0.000 0.446 219 R N -1.094 119.432 120.500 0.044 0.000 2.061 219 R HA -0.159 4.170 4.340 -0.017 0.000 0.230 219 R C 2.121 178.441 176.300 0.034 0.000 1.140 219 R CA 1.288 57.409 56.100 0.035 0.000 0.940 219 R CB -0.508 29.808 30.300 0.027 0.000 0.839 219 R HN 0.369 nan 8.270 nan 0.000 0.429 220 Q N 0.962 120.781 119.800 0.032 0.000 2.234 220 Q HA -0.205 4.125 4.340 -0.017 0.000 0.206 220 Q C 0.749 176.771 176.000 0.036 0.000 0.980 220 Q CA 1.720 57.541 55.803 0.029 0.000 0.869 220 Q CB 0.043 28.797 28.738 0.026 0.000 0.912 220 Q HN 0.264 nan 8.270 nan 0.000 0.436 221 D N 0.110 120.539 120.400 0.048 0.000 2.123 221 D HA -0.134 4.496 4.640 -0.017 0.000 0.200 221 D C 1.884 178.232 176.300 0.080 0.000 0.976 221 D CA 0.914 54.952 54.000 0.064 0.000 0.831 221 D CB -0.228 40.616 40.800 0.075 0.000 0.974 221 D HN 0.280 nan 8.370 nan 0.000 0.469 222 R N 0.445 120.988 120.500 0.071 0.000 2.115 222 R HA -0.052 4.278 4.340 -0.017 0.000 0.230 222 R C 2.080 178.412 176.300 0.053 0.000 1.111 222 R CA 1.479 57.620 56.100 0.069 0.000 0.976 222 R CB -0.303 30.024 30.300 0.045 0.000 0.870 222 R HN 0.171 nan 8.270 nan 0.000 0.445 223 G N 0.036 108.860 108.800 0.040 0.000 2.394 223 G HA2 -0.142 3.808 3.960 -0.017 0.000 0.215 223 G HA3 -0.142 3.808 3.960 -0.017 0.000 0.215 223 G C 1.359 176.274 174.900 0.025 0.000 1.165 223 G CA 0.521 45.637 45.100 0.026 0.000 0.784 223 G HN 0.190 nan 8.290 nan 0.000 0.535 224 V N 1.396 121.326 119.914 0.027 0.000 2.515 224 V HA -0.055 4.055 4.120 -0.017 0.000 0.250 224 V C 3.117 179.211 176.094 0.000 0.000 1.058 224 V CA 1.858 64.162 62.300 0.006 0.000 1.064 224 V CB -0.403 31.424 31.823 0.007 0.000 0.675 224 V HN 0.441 nan 8.190 nan 0.000 0.461 225 A N -1.054 121.809 122.820 0.072 0.000 2.208 225 A HA 0.026 4.336 4.320 -0.017 0.000 0.209 225 A C 1.026 178.718 177.584 0.181 0.000 1.161 225 A CA 0.233 52.372 52.037 0.171 0.000 0.782 225 A CB -0.435 18.792 19.000 0.377 0.000 0.816 225 A HN 0.598 nan 8.150 nan 0.000 0.477 226 N N -0.344 118.406 118.700 0.082 0.000 2.688 226 N HA -0.147 4.583 4.740 -0.017 0.000 0.258 226 N C -0.685 174.850 175.510 0.041 0.000 1.016 226 N CA 0.954 54.035 53.050 0.052 0.000 0.747 226 N CB -0.908 37.602 38.487 0.038 0.000 0.895 226 N HN 0.586 nan 8.380 nan 0.000 0.543 227 I N 1.300 121.874 120.570 0.007 0.000 2.488 227 I HA 0.292 4.452 4.170 -0.017 0.000 0.299 227 I C -1.597 174.494 176.117 -0.042 0.000 0.984 227 I CA -1.921 59.323 61.300 -0.095 0.000 1.250 227 I CB 1.286 39.208 38.000 -0.130 0.000 1.389 227 I HN -0.050 nan 8.210 nan 0.000 0.488 228 P HA 0.004 nan 4.420 nan 0.000 0.268 228 P C 0.079 177.379 177.300 0.000 0.000 1.204 228 P CA -0.162 62.929 63.100 -0.014 0.000 0.768 228 P CB 1.017 32.705 31.700 -0.020 0.000 0.842 229 A N 3.175 125.992 122.820 -0.004 0.000 2.259 229 A HA -0.106 4.204 4.320 -0.017 0.000 0.212 229 A C 1.369 178.946 177.584 -0.012 0.000 1.178 229 A CA 1.118 53.152 52.037 -0.006 0.000 0.734 229 A CB -0.647 18.350 19.000 -0.005 0.000 0.774 229 A HN 0.499 nan 8.150 nan 0.000 0.481 230 E N 0.831 121.028 120.200 -0.004 0.000 2.499 230 E HA 0.115 4.454 4.350 -0.017 0.000 0.207 230 E C -0.165 176.431 176.600 -0.007 0.000 1.034 230 E CA 0.074 56.465 56.400 -0.014 0.000 1.098 230 E CB 0.110 29.811 29.700 0.002 0.000 1.148 230 E HN 0.666 nan 8.360 nan 0.000 0.447 231 S N -0.870 114.825 115.700 -0.008 0.000 2.669 231 S HA 0.242 4.702 4.470 -0.017 0.000 0.270 231 S C 0.860 175.392 174.600 -0.114 0.000 1.225 231 S CA -0.570 57.633 58.200 0.005 0.000 0.991 231 S CB 0.532 63.718 63.200 -0.023 0.000 0.987 231 S HN 0.161 nan 8.310 nan 0.000 0.552 232 Y N 0.258 120.510 120.300 -0.080 0.000 2.578 232 Y HA 0.240 4.780 4.550 -0.016 0.000 0.297 232 Y C 0.863 176.462 175.900 -0.501 0.000 1.176 232 Y CA -0.064 57.931 58.100 -0.176 0.000 1.315 232 Y CB -0.499 37.945 38.460 -0.026 0.000 1.031 232 Y HN 0.401 nan 8.280 nan 0.000 0.524 233 L N 0.354 121.345 121.223 -0.386 0.000 2.492 233 L HA -0.054 4.276 4.340 -0.017 0.000 0.280 233 L C 1.295 178.135 176.870 -0.050 0.000 1.240 233 L CA 0.046 54.741 54.840 -0.242 0.000 0.831 233 L CB 0.405 42.431 42.059 -0.054 0.000 1.100 233 L HN 0.011 nan 8.230 nan 0.000 0.505 234 K N 0.678 121.111 120.400 0.055 0.000 2.361 234 K HA 0.336 4.646 4.320 -0.017 0.000 0.194 234 K C 0.188 176.819 176.600 0.050 0.000 1.032 234 K CA 0.257 56.583 56.287 0.066 0.000 1.048 234 K CB 0.745 33.309 32.500 0.105 0.000 0.842 234 K HN 0.686 nan 8.250 nan 0.000 0.526 235 A N 0.000 122.852 122.820 0.053 0.000 2.254 235 A HA 0.000 4.310 4.320 -0.017 0.000 0.244 235 A CA 0.000 52.064 52.037 0.045 0.000 0.836 235 A CB 0.000 19.034 19.000 0.057 0.000 0.831 235 A HN 0.000 nan 8.150 nan 0.000 0.486