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 2cpi_1_A DATA FIRST_RESID 94 DATA SEQUENCE GSSGSSGASV RVVQKNLVFV VGLSQRLADP EVLKRPEYFG KFGKIHKVVI DATA SEQUENCE NNSTSYAGSQ GPSASAYVTY IRSEDALRAI QCVNNVVVDG RTLKASLGTT DATA SEQUENCE KYCSYSGPSS G 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 94 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 94 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 94 G C 0.000 174.898 174.900 -0.003 0.000 0.946 94 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 95 S N 1.847 117.545 115.700 -0.004 0.000 2.473 95 S HA 0.147 4.615 4.470 -0.004 0.000 0.312 95 S C -0.658 173.940 174.600 -0.004 0.000 1.087 95 S CA -0.300 57.897 58.200 -0.004 0.000 1.077 95 S CB 0.491 63.687 63.200 -0.006 0.000 1.065 95 S HN -0.035 8.272 8.310 -0.005 0.000 0.510 96 S N 5.438 121.137 115.700 -0.003 0.000 2.670 96 S HA -0.116 4.353 4.470 -0.001 0.000 0.328 96 S C 0.181 174.779 174.600 -0.003 0.000 1.179 96 S CA 0.361 58.560 58.200 -0.001 0.000 1.194 96 S CB -0.402 62.798 63.200 0.001 0.000 1.359 96 S HN 0.509 8.818 8.310 -0.002 0.000 0.555 97 G N 5.870 114.667 108.800 -0.005 0.000 4.504 97 G HA2 -0.055 3.900 3.960 -0.008 0.000 0.229 97 G HA3 -0.055 3.899 3.960 -0.009 0.000 0.229 97 G C -0.339 174.554 174.900 -0.012 0.000 3.132 97 G CA 0.320 45.415 45.100 -0.008 0.000 0.731 97 G HN -0.357 7.930 8.290 -0.005 0.000 0.253 98 S N 0.088 115.781 115.700 -0.011 0.000 2.369 98 S HA -0.206 4.254 4.470 -0.016 0.000 0.225 98 S C 1.423 176.010 174.600 -0.022 0.000 1.043 98 S CA 1.794 59.985 58.200 -0.015 0.000 1.074 98 S CB 0.259 63.453 63.200 -0.011 0.000 0.962 98 S HN -0.098 8.208 8.310 -0.007 0.000 0.433 99 S N 1.354 117.040 115.700 -0.023 0.000 3.036 99 S HA 0.024 4.473 4.470 -0.035 0.000 0.301 99 S C 0.138 174.721 174.600 -0.028 0.000 1.205 99 S CA 0.023 58.205 58.200 -0.031 0.000 0.999 99 S CB -0.390 62.787 63.200 -0.038 0.000 1.337 99 S HN -0.183 8.115 8.310 -0.019 0.000 0.515 100 G N 2.850 111.634 108.800 -0.026 0.000 2.726 100 G HA2 0.115 4.063 3.960 -0.019 0.000 0.221 100 G HA3 0.115 4.063 3.960 -0.019 0.000 0.221 100 G C -1.186 173.702 174.900 -0.021 0.000 1.327 100 G CA -0.052 45.035 45.100 -0.021 0.000 0.884 100 G HN -0.363 7.909 8.290 -0.029 0.000 0.581 101 A N 1.238 124.046 122.820 -0.020 0.000 2.451 101 A HA 0.158 4.473 4.320 -0.010 0.000 0.266 101 A C -0.589 176.987 177.584 -0.013 0.000 1.119 101 A CA 0.475 52.504 52.037 -0.013 0.000 0.786 101 A CB -0.434 18.561 19.000 -0.008 0.000 1.061 101 A HN 0.069 8.206 8.150 -0.022 0.000 0.503 102 S N 0.197 115.891 115.700 -0.011 0.000 2.643 102 S HA 0.112 4.582 4.470 -0.001 0.000 0.266 102 S C -1.437 173.153 174.600 -0.017 0.000 1.130 102 S CA -0.931 57.260 58.200 -0.015 0.000 0.817 102 S CB 1.633 64.811 63.200 -0.036 0.000 1.107 102 S HN -0.034 8.270 8.310 -0.010 0.000 0.471 103 V N 0.204 120.103 119.914 -0.024 0.000 2.785 103 V HA 0.201 4.313 4.120 -0.014 0.000 0.300 103 V C -0.374 175.697 176.094 -0.038 0.000 1.062 103 V CA -0.708 61.577 62.300 -0.025 0.000 1.029 103 V CB 0.708 32.518 31.823 -0.021 0.000 1.024 103 V HN 0.179 8.351 8.190 -0.030 0.000 0.477 104 R N 3.495 123.978 120.500 -0.028 0.000 2.220 104 R HA 0.181 4.499 4.340 -0.036 0.000 0.340 104 R C -0.368 175.912 176.300 -0.034 0.000 1.076 104 R CA -0.128 55.954 56.100 -0.030 0.000 0.920 104 R CB 0.108 30.396 30.300 -0.019 0.000 1.062 104 R HN 0.167 8.425 8.270 -0.019 0.000 0.469 105 V N 5.195 125.080 119.914 -0.048 0.000 2.444 105 V HA 0.158 4.258 4.120 -0.033 0.000 0.294 105 V C -0.737 175.334 176.094 -0.038 0.000 1.022 105 V CA -0.539 61.732 62.300 -0.049 0.000 0.850 105 V CB 1.994 33.765 31.823 -0.086 0.000 0.992 105 V HN 0.322 8.478 8.190 -0.056 0.000 0.426 106 V N 7.847 127.748 119.914 -0.021 0.000 2.353 106 V HA 0.044 4.155 4.120 -0.015 0.000 0.264 106 V C -0.692 175.399 176.094 -0.005 0.000 1.049 106 V CA 0.002 62.294 62.300 -0.012 0.000 0.896 106 V CB -0.193 31.627 31.823 -0.006 0.000 1.025 106 V HN 0.319 8.499 8.190 -0.016 0.000 0.475 107 Q N 7.977 127.775 119.800 -0.003 0.000 2.560 107 Q HA 0.239 4.590 4.340 0.018 0.000 0.238 107 Q C -0.998 175.017 176.000 0.026 0.000 1.079 107 Q CA -1.130 54.681 55.803 0.014 0.000 0.866 107 Q CB -0.335 28.410 28.738 0.012 0.000 1.153 107 Q HN 0.388 8.652 8.270 -0.010 0.000 0.530 108 K N 1.102 121.516 120.400 0.024 0.000 2.128 108 K HA -0.152 4.180 4.320 0.019 0.000 0.202 108 K C 0.818 177.438 176.600 0.032 0.000 1.050 108 K CA 2.383 58.683 56.287 0.021 0.000 0.966 108 K CB 0.173 32.679 32.500 0.010 0.000 0.759 108 K HN 0.118 8.381 8.250 0.020 0.000 0.454 109 N N -0.225 118.501 118.700 0.044 0.000 2.623 109 N HA -0.037 4.737 4.740 0.057 0.000 0.263 109 N C -2.035 173.538 175.510 0.106 0.000 1.218 109 N CA -0.632 52.459 53.050 0.067 0.000 0.949 109 N CB -1.074 37.450 38.487 0.062 0.000 1.270 109 N HN 0.101 8.504 8.380 0.039 0.000 0.507 110 L N -0.380 120.910 121.223 0.111 0.000 2.441 110 L HA 0.345 4.796 4.340 0.185 0.000 0.270 110 L C -2.574 174.404 176.870 0.179 0.000 0.973 110 L CA -0.377 54.560 54.840 0.162 0.000 0.842 110 L CB 3.089 45.242 42.059 0.156 0.000 1.239 110 L HN -0.598 7.573 8.230 0.084 0.110 0.406 111 V N 7.071 127.110 119.914 0.208 0.000 2.368 111 V HA 0.064 4.266 4.120 0.137 0.000 0.266 111 V C -2.009 174.180 176.094 0.159 0.000 1.045 111 V CA 0.389 62.792 62.300 0.172 0.000 0.899 111 V CB 0.065 32.009 31.823 0.201 0.000 1.006 111 V HN 0.235 8.566 8.190 0.235 0.000 0.470 112 F N 10.968 130.896 119.950 -0.038 0.000 2.332 112 F HA 0.590 5.024 4.527 -0.420 -0.159 0.368 112 F C -2.124 173.585 175.800 -0.152 0.000 1.110 112 F CA -2.781 55.100 58.000 -0.198 0.000 1.087 112 F CB 1.874 40.803 39.000 -0.119 0.000 1.235 112 F HN 0.469 8.905 8.300 0.227 0.000 0.470 113 V N 9.065 128.573 119.914 -0.676 0.000 2.547 113 V HA 0.757 4.858 4.120 -0.406 -0.224 0.299 113 V C -1.152 174.500 176.094 -0.737 0.000 1.040 113 V CA -1.629 60.356 62.300 -0.525 0.000 0.913 113 V CB 2.491 34.217 31.823 -0.162 0.000 0.992 113 V HN 0.312 8.133 8.190 -0.615 0.000 0.449 114 V N 0.089 119.697 119.914 -0.510 0.000 3.155 114 V HA 0.759 4.781 4.120 -0.394 -0.138 0.313 114 V C 0.112 176.111 176.094 -0.159 0.000 1.162 114 V CA -3.035 59.042 62.300 -0.372 0.000 1.048 114 V CB 3.136 34.760 31.823 -0.331 0.000 1.092 114 V HN 0.220 8.193 8.190 -0.361 0.000 0.447 115 G N -0.885 107.858 108.800 -0.094 0.000 2.298 115 G HA2 -0.375 3.572 3.960 -0.022 0.000 0.287 115 G HA3 -0.375 3.566 3.960 -0.032 0.000 0.287 115 G C -0.925 173.966 174.900 -0.015 0.000 1.075 115 G CA 0.591 45.668 45.100 -0.038 0.000 0.960 115 G HN -0.030 8.203 8.290 -0.095 0.000 0.502 116 L N -0.059 121.154 121.223 -0.017 0.000 2.313 116 L HA 0.308 4.667 4.340 0.032 0.000 0.283 116 L C -0.567 176.317 176.870 0.024 0.000 1.013 116 L CA -1.646 53.201 54.840 0.011 0.000 0.816 116 L CB 1.394 43.451 42.059 -0.002 0.000 1.236 116 L HN -0.765 7.445 8.230 -0.034 0.000 0.419 117 S N 2.836 118.559 115.700 0.038 0.000 2.564 117 S HA -0.029 4.466 4.470 0.043 0.000 0.278 117 S C 1.128 175.752 174.600 0.040 0.000 1.333 117 S CA -0.728 57.497 58.200 0.042 0.000 1.048 117 S CB 1.580 64.807 63.200 0.045 0.000 0.900 117 S HN 0.446 8.783 8.310 0.046 0.000 0.505 118 Q N 8.986 128.814 119.800 0.047 0.000 2.268 118 Q HA -0.305 4.059 4.340 0.041 0.000 0.213 118 Q C 1.002 177.015 176.000 0.022 0.000 0.995 118 Q CA 3.042 58.869 55.803 0.040 0.000 0.901 118 Q CB -0.165 28.602 28.738 0.047 0.000 0.921 118 Q HN 0.660 8.965 8.270 0.058 0.000 0.421 119 R N -3.038 117.478 120.500 0.026 0.000 2.062 119 R HA -0.192 4.153 4.340 0.009 0.000 0.229 119 R C 1.852 178.163 176.300 0.019 0.000 1.128 119 R CA 1.536 57.648 56.100 0.021 0.000 0.960 119 R CB -0.160 30.158 30.300 0.031 0.000 0.855 119 R HN -0.614 7.641 8.270 0.033 0.035 0.432 120 L N -1.474 119.773 121.223 0.039 0.000 2.141 120 L HA -0.118 4.253 4.340 0.052 0.000 0.209 120 L C 0.202 177.073 176.870 0.002 0.000 1.094 120 L CA 1.192 56.062 54.840 0.050 0.000 0.763 120 L CB 0.163 42.284 42.059 0.104 0.000 0.908 120 L HN -0.254 7.920 8.230 0.047 0.085 0.437 121 A N -1.926 120.896 122.820 0.002 0.000 2.898 121 A HA -0.257 4.047 4.320 -0.025 0.000 0.288 121 A C -1.020 176.543 177.584 -0.035 0.000 1.771 121 A CA 0.948 52.976 52.037 -0.015 0.000 1.383 121 A CB -1.353 17.649 19.000 0.004 0.000 1.028 121 A HN -0.272 7.870 8.150 0.016 0.018 0.595 122 D N 3.283 123.641 120.400 -0.070 0.000 2.859 122 D HA 0.297 4.902 4.640 -0.057 0.000 0.223 122 D C -1.350 174.886 176.300 -0.106 0.000 1.218 122 D CA -1.513 52.437 54.000 -0.084 0.000 0.850 122 D CB 3.053 43.791 40.800 -0.103 0.000 1.656 122 D HN -0.460 7.842 8.370 -0.084 0.018 0.484 123 P HA -0.045 4.325 4.420 -0.083 0.000 0.215 123 P C 0.820 178.066 177.300 -0.090 0.000 1.157 123 P CA 2.320 65.372 63.100 -0.079 0.000 0.859 123 P CB 0.524 32.191 31.700 -0.055 0.000 0.786 124 E N -1.099 119.047 120.200 -0.090 0.000 2.107 124 E HA -0.208 4.104 4.350 -0.063 0.000 0.191 124 E C 2.152 178.665 176.600 -0.145 0.000 0.982 124 E CA 3.167 59.516 56.400 -0.086 0.000 0.809 124 E CB -0.762 28.899 29.700 -0.064 0.000 0.756 124 E HN 0.399 8.710 8.360 -0.081 0.000 0.459 125 V N -0.914 118.854 119.914 -0.244 0.000 2.295 125 V HA -0.360 3.445 4.120 -0.526 0.000 0.246 125 V C 1.417 177.069 176.094 -0.736 0.000 1.049 125 V CA 3.606 65.569 62.300 -0.562 0.000 1.024 125 V CB -0.431 31.050 31.823 -0.571 0.000 0.648 125 V HN -0.195 7.878 8.190 -0.194 0.000 0.447 126 L N -3.480 117.545 121.223 -0.329 0.000 2.156 126 L HA -0.260 4.173 4.340 0.155 0.000 0.208 126 L C 1.966 178.892 176.870 0.094 0.000 1.095 126 L CA 2.209 57.028 54.840 -0.036 0.000 0.770 126 L CB -0.266 41.721 42.059 -0.121 0.000 0.914 126 L HN -0.493 7.583 8.230 -0.257 0.000 0.439 127 K N -2.626 117.769 120.400 -0.009 0.000 2.147 127 K HA -0.334 4.006 4.320 0.033 0.000 0.205 127 K C 0.805 177.457 176.600 0.087 0.000 1.049 127 K CA 2.184 58.487 56.287 0.026 0.000 0.936 127 K CB 0.018 32.505 32.500 -0.021 0.000 0.722 127 K HN -0.315 7.787 8.250 -0.077 0.102 0.446 128 R N -1.107 119.448 120.500 0.092 0.000 2.619 128 R HA -0.158 4.244 4.340 0.103 0.000 0.268 128 R C -0.776 175.646 176.300 0.203 0.000 0.990 128 R CA 0.040 56.235 56.100 0.159 0.000 1.092 128 R CB -0.889 29.566 30.300 0.258 0.000 0.935 128 R HN -0.646 7.612 8.270 0.013 0.020 0.415 129 P HA -0.080 4.351 4.420 0.104 0.052 0.239 129 P C -0.532 176.802 177.300 0.057 0.000 1.184 129 P CA 1.529 64.685 63.100 0.093 0.000 0.760 129 P CB 0.227 31.961 31.700 0.056 0.000 0.884 130 E N -4.019 116.237 120.200 0.093 0.000 2.460 130 E HA -0.125 4.176 4.350 -0.082 0.000 0.200 130 E C -0.256 176.266 176.600 -0.131 0.000 1.011 130 E CA 0.420 56.800 56.400 -0.034 0.000 0.912 130 E CB 0.135 29.802 29.700 -0.054 0.000 0.953 130 E HN -0.091 8.291 8.360 0.185 0.089 0.494 131 Y N -2.899 117.409 120.300 0.013 0.000 2.347 131 Y HA -0.063 4.461 4.550 -0.043 0.000 0.274 131 Y C 0.476 176.346 175.900 -0.050 0.000 1.124 131 Y CA 2.420 60.541 58.100 0.035 0.000 1.208 131 Y CB 1.531 40.113 38.460 0.203 0.000 1.142 131 Y HN -0.502 7.822 8.280 0.352 0.167 0.506 132 F N -3.535 116.582 119.950 0.279 0.000 2.577 132 F HA 0.281 5.020 4.527 0.354 0.000 0.276 132 F C 2.056 178.039 175.800 0.304 0.000 1.032 132 F CA 1.570 59.759 58.000 0.316 0.000 1.297 132 F CB 1.584 40.775 39.000 0.318 0.000 1.061 132 F HN -0.449 8.211 8.300 0.600 0.000 0.680 133 G N -0.158 108.863 108.800 0.367 0.000 2.549 133 G HA2 -0.495 3.759 3.960 0.222 0.000 0.222 133 G HA3 -0.495 3.684 3.960 0.165 -0.120 0.222 133 G C -0.322 174.692 174.900 0.190 0.000 1.100 133 G CA 2.191 47.431 45.100 0.234 0.000 0.739 133 G HN -0.181 8.331 8.290 0.370 0.000 0.577 134 K N -1.583 118.871 120.400 0.091 0.000 2.074 134 K HA -0.352 3.986 4.320 -0.031 -0.037 0.209 134 K C 2.172 178.742 176.600 -0.050 0.000 1.048 134 K CA 1.932 58.176 56.287 -0.072 0.000 0.926 134 K CB -1.210 31.123 32.500 -0.279 0.000 0.713 134 K HN -0.420 7.823 8.250 0.102 0.068 0.444 135 F N -1.568 118.486 119.950 0.174 0.000 2.146 135 F HA -0.232 4.348 4.527 0.088 0.000 0.298 135 F C 0.627 176.567 175.800 0.233 0.000 1.096 135 F CA 2.557 60.662 58.000 0.175 0.000 1.275 135 F CB 0.627 39.726 39.000 0.166 0.000 1.008 135 F HN -0.303 8.099 8.300 0.188 0.010 0.480 136 G N -4.980 104.135 108.800 0.525 0.000 2.368 136 G HA2 0.012 4.114 3.960 0.238 0.000 0.293 136 G HA3 0.012 4.215 3.960 0.405 0.000 0.293 136 G C -2.692 172.340 174.900 0.221 0.000 1.467 136 G CA -0.775 44.537 45.100 0.355 0.000 0.804 136 G HN -1.008 7.561 8.290 0.592 0.076 0.535 137 K N 0.502 120.979 120.400 0.129 0.000 2.448 137 K HA -0.048 4.295 4.320 0.039 0.000 0.278 137 K C -0.862 175.708 176.600 -0.049 0.000 1.009 137 K CA 0.806 57.121 56.287 0.048 0.000 0.995 137 K CB 0.756 33.292 32.500 0.060 0.000 0.917 137 K HN 0.215 8.550 8.250 0.141 0.000 0.481 138 I N 3.724 124.229 120.570 -0.109 0.000 2.488 138 I HA 0.107 4.173 4.170 -0.349 -0.105 0.299 138 I C -0.449 175.644 176.117 -0.040 0.000 0.984 138 I CA -0.334 60.848 61.300 -0.196 0.000 1.250 138 I CB 1.324 39.188 38.000 -0.227 0.000 1.389 138 I HN 0.258 8.432 8.210 -0.061 0.000 0.488 139 H N 6.317 125.321 119.070 -0.109 0.000 2.422 139 H HA 0.107 4.641 4.556 -0.037 0.000 0.303 139 H C -0.669 174.635 175.328 -0.041 0.000 1.033 139 H CA 1.579 57.597 56.048 -0.049 0.000 1.335 139 H CB 2.385 32.135 29.762 -0.020 0.000 1.458 139 H HN 0.360 8.650 8.280 0.017 0.000 0.556 140 K N -0.504 119.911 120.400 0.025 0.000 2.422 140 K HA 0.234 4.506 4.320 -0.081 0.000 0.251 140 K C -2.323 174.269 176.600 -0.014 0.000 0.933 140 K CA -0.810 55.467 56.287 -0.016 0.000 0.798 140 K CB 2.460 34.992 32.500 0.053 0.000 1.238 140 K HN -0.733 7.566 8.250 0.081 0.000 0.428 141 V N 4.227 124.125 119.914 -0.027 0.000 2.447 141 V HA 0.340 4.574 4.120 -0.015 -0.124 0.292 141 V C -0.872 175.225 176.094 0.005 0.000 1.021 141 V CA -0.918 61.367 62.300 -0.024 0.000 0.850 141 V CB 1.200 32.986 31.823 -0.061 0.000 1.005 141 V HN 0.269 8.437 8.190 -0.038 0.000 0.426 142 V N 8.743 128.691 119.914 0.057 0.000 2.555 142 V HA 0.301 4.448 4.120 0.045 0.000 0.302 142 V C -1.330 174.845 176.094 0.135 0.000 1.038 142 V CA -1.395 60.957 62.300 0.086 0.000 0.887 142 V CB 3.004 34.884 31.823 0.095 0.000 0.991 142 V HN 0.468 8.709 8.190 0.086 0.000 0.434 143 I N 5.053 125.682 120.570 0.098 0.000 2.362 143 I HA 0.195 4.427 4.170 0.104 0.000 0.289 143 I C -1.602 174.597 176.117 0.136 0.000 0.994 143 I CA -1.568 59.791 61.300 0.098 0.000 1.158 143 I CB 0.200 38.221 38.000 0.035 0.000 1.315 143 I HN 0.265 8.515 8.210 0.067 0.000 0.451 144 N N 9.018 127.837 118.700 0.198 0.000 2.476 144 N HA 0.141 4.975 4.740 0.156 0.000 0.257 144 N C -1.900 173.696 175.510 0.144 0.000 0.970 144 N CA -1.192 51.983 53.050 0.208 0.000 0.938 144 N CB 2.663 41.383 38.487 0.389 0.000 1.144 144 N HN 0.461 8.961 8.380 0.200 0.000 0.500 145 N N 2.343 121.108 118.700 0.108 0.000 2.697 145 N HA 0.199 4.993 4.740 0.090 0.000 0.272 145 N C -1.294 174.269 175.510 0.088 0.000 1.381 145 N CA -1.449 51.656 53.050 0.091 0.000 0.797 145 N CB 1.615 40.150 38.487 0.080 0.000 1.523 145 N HN 0.109 8.549 8.380 0.101 0.000 0.518 146 S N 0.013 115.764 115.700 0.086 0.000 2.546 146 S HA -0.057 4.449 4.470 0.060 0.000 0.290 146 S C 0.481 175.136 174.600 0.091 0.000 1.290 146 S CA 0.775 59.019 58.200 0.074 0.000 1.069 146 S CB 0.248 63.478 63.200 0.050 0.000 0.846 146 S HN -0.011 8.351 8.310 0.088 0.000 0.495 147 T N 7.061 121.658 114.554 0.070 0.000 2.814 147 T HA -0.101 4.292 4.350 0.072 0.000 0.254 147 T C 0.150 174.899 174.700 0.083 0.000 1.037 147 T CA 2.078 64.220 62.100 0.069 0.000 1.143 147 T CB 0.116 69.015 68.868 0.050 0.000 0.866 147 T HN 0.227 8.501 8.240 0.056 0.000 0.431 148 S N 0.875 116.615 115.700 0.067 0.000 2.452 148 S HA 0.108 4.631 4.470 0.088 0.000 0.284 148 S C -1.387 173.265 174.600 0.087 0.000 1.171 148 S CA -0.171 58.072 58.200 0.072 0.000 1.064 148 S CB 0.516 63.738 63.200 0.038 0.000 0.967 148 S HN -0.017 8.321 8.310 0.048 0.000 0.484 149 Y N 6.890 127.197 120.300 0.012 0.000 2.331 149 Y HA 0.087 4.644 4.550 0.013 0.000 0.338 149 Y C -0.645 175.261 175.900 0.010 0.000 0.976 149 Y CA 0.093 58.200 58.100 0.011 0.000 1.137 149 Y CB 1.164 39.630 38.460 0.011 0.000 1.172 149 Y HN 0.510 8.918 8.280 0.214 0.000 0.478 150 A N 6.151 128.939 122.820 -0.055 0.000 1.969 150 A HA 0.103 4.475 4.320 0.086 0.000 0.205 150 A C -0.531 177.079 177.584 0.043 0.000 1.364 150 A CA 0.341 52.389 52.037 0.017 0.000 0.756 150 A CB 0.676 19.654 19.000 -0.036 0.000 0.988 150 A HN 0.685 8.639 8.150 -0.327 0.000 0.490 151 G N -1.962 106.770 108.800 -0.114 0.000 2.237 151 G HA2 -0.172 3.765 3.960 -0.039 0.000 0.153 151 G HA3 -0.172 3.856 3.960 0.113 0.000 0.153 151 G C -0.610 174.272 174.900 -0.029 0.000 1.039 151 G CA -0.355 44.739 45.100 -0.009 0.000 0.719 151 G HN -0.089 8.023 8.290 -0.297 0.000 0.491 152 S N -0.637 115.015 115.700 -0.080 0.000 2.527 152 S HA 0.125 4.581 4.470 -0.024 0.000 0.225 152 S C 1.155 175.725 174.600 -0.050 0.000 1.046 152 S CA 1.112 59.283 58.200 -0.049 0.000 0.929 152 S CB 0.544 63.715 63.200 -0.048 0.000 0.851 152 S HN 0.186 8.410 8.310 -0.143 0.000 0.565 153 Q N -0.556 119.197 119.800 -0.078 0.000 2.495 153 Q HA 0.310 4.627 4.340 -0.037 0.000 0.283 153 Q C -0.945 175.009 176.000 -0.076 0.000 1.097 153 Q CA -0.805 54.962 55.803 -0.060 0.000 0.836 153 Q CB 1.497 30.205 28.738 -0.050 0.000 1.426 153 Q HN -0.390 7.812 8.270 -0.113 0.000 0.459 154 G N 1.079 109.854 108.800 -0.042 0.000 3.288 154 G HA2 0.220 4.156 3.960 -0.040 0.000 0.337 154 G HA3 0.220 4.176 3.960 -0.006 0.000 0.337 154 G C -1.860 173.026 174.900 -0.024 0.000 1.142 154 G CA -1.005 44.078 45.100 -0.028 0.000 1.304 154 G HN 0.088 8.361 8.290 -0.029 0.000 0.475 155 P HA 0.248 4.659 4.420 -0.016 0.000 0.275 155 P C -0.913 176.389 177.300 0.004 0.000 1.270 155 P CA -0.700 62.386 63.100 -0.023 0.000 0.791 155 P CB 1.195 32.869 31.700 -0.043 0.000 1.089 156 S N -0.820 114.888 115.700 0.014 0.000 2.568 156 S HA 0.225 4.708 4.470 0.022 0.000 0.293 156 S C -0.453 174.165 174.600 0.029 0.000 1.089 156 S CA -0.480 57.731 58.200 0.019 0.000 0.945 156 S CB 2.488 65.693 63.200 0.009 0.000 1.077 156 S HN -0.036 8.283 8.310 0.014 0.000 0.485 157 A N 2.077 124.910 122.820 0.022 0.000 2.313 157 A HA 0.355 4.709 4.320 0.058 0.000 0.323 157 A C -1.949 175.621 177.584 -0.023 0.000 1.133 157 A CA -0.907 51.148 52.037 0.030 0.000 0.847 157 A CB 2.213 21.237 19.000 0.041 0.000 1.308 157 A HN 0.360 8.518 8.150 0.013 0.000 0.475 158 S N -2.795 112.898 115.700 -0.013 0.000 2.570 158 S HA 0.824 5.252 4.470 -0.284 -0.129 0.286 158 S C -1.587 172.914 174.600 -0.166 0.000 1.099 158 S CA -1.779 56.314 58.200 -0.179 0.000 0.913 158 S CB 3.217 66.326 63.200 -0.153 0.000 1.085 158 S HN 0.418 8.768 8.310 0.066 0.000 0.480 159 A N 0.203 122.815 122.820 -0.347 0.000 2.374 159 A HA 0.618 5.026 4.320 -0.017 -0.098 0.317 159 A C -2.412 174.953 177.584 -0.365 0.000 1.094 159 A CA -1.378 50.524 52.037 -0.226 0.000 0.765 159 A CB 3.297 22.176 19.000 -0.201 0.000 1.268 159 A HN 0.381 8.248 8.150 -0.472 0.000 0.438 160 Y N 0.206 120.523 120.300 0.029 0.000 2.388 160 Y HA 0.811 5.696 4.550 0.117 -0.265 0.328 160 Y C -0.774 175.131 175.900 0.009 0.000 0.963 160 Y CA -2.199 55.945 58.100 0.074 0.000 1.240 160 Y CB 1.173 39.703 38.460 0.117 0.000 1.118 160 Y HN 0.627 9.072 8.280 0.275 0.000 0.484 161 V N 5.143 125.112 119.914 0.093 0.000 2.532 161 V HA 0.424 4.670 4.120 0.002 -0.124 0.295 161 V C -0.213 175.967 176.094 0.143 0.000 1.041 161 V CA -1.930 60.395 62.300 0.043 0.000 0.926 161 V CB 1.229 33.025 31.823 -0.046 0.000 0.992 161 V HN 0.209 8.441 8.190 0.070 0.000 0.457 162 T N 8.190 122.787 114.554 0.072 0.000 2.770 162 T HA 0.377 4.845 4.350 0.197 0.000 0.283 162 T C -1.359 173.372 174.700 0.050 0.000 0.988 162 T CA -0.510 61.665 62.100 0.125 0.000 0.957 162 T CB 1.666 70.610 68.868 0.127 0.000 0.930 162 T HN 0.362 8.601 8.240 -0.001 0.000 0.443 163 Y N 6.771 127.122 120.300 0.085 0.000 2.331 163 Y HA 0.115 4.729 4.550 0.106 0.000 0.338 163 Y C 0.218 176.147 175.900 0.049 0.000 0.976 163 Y CA 0.149 58.298 58.100 0.081 0.000 1.137 163 Y CB 0.950 39.451 38.460 0.068 0.000 1.172 163 Y HN 0.457 8.958 8.280 0.367 0.000 0.478 164 I N 2.566 123.218 120.570 0.137 0.000 2.236 164 I HA -0.418 3.730 4.170 -0.037 0.000 0.249 164 I C 0.213 176.373 176.117 0.072 0.000 1.102 164 I CA 3.667 64.996 61.300 0.049 0.000 1.365 164 I CB 0.027 38.050 38.000 0.038 0.000 1.051 164 I HN 0.104 8.380 8.210 0.109 0.000 0.420 165 R N -2.233 118.348 120.500 0.135 0.000 2.246 165 R HA 0.183 4.559 4.340 0.061 0.000 0.332 165 R C 0.108 176.460 176.300 0.087 0.000 0.974 165 R CA -1.536 54.622 56.100 0.096 0.000 0.837 165 R CB 0.077 30.434 30.300 0.096 0.000 1.145 165 R HN -0.252 8.126 8.270 0.207 0.016 0.467 166 S N 5.318 121.047 115.700 0.049 0.000 2.359 166 S HA -0.428 4.235 4.470 0.035 -0.172 0.222 166 S C 1.105 175.693 174.600 -0.020 0.000 1.038 166 S CA 3.728 61.941 58.200 0.021 0.000 1.051 166 S CB 0.139 63.346 63.200 0.013 0.000 0.944 166 S HN 0.539 8.874 8.310 0.040 0.000 0.433 167 E N 1.352 121.544 120.200 -0.013 0.000 2.086 167 E HA -0.322 4.005 4.350 -0.039 0.000 0.205 167 E C 1.506 178.063 176.600 -0.072 0.000 1.027 167 E CA 3.265 59.647 56.400 -0.031 0.000 0.830 167 E CB -1.178 28.518 29.700 -0.007 0.000 0.751 167 E HN 0.376 8.738 8.360 0.004 0.000 0.456 168 D N -1.749 118.621 120.400 -0.050 0.000 2.116 168 D HA -0.285 4.314 4.640 -0.068 0.000 0.193 168 D C 2.082 178.154 176.300 -0.380 0.000 0.998 168 D CA 3.290 57.230 54.000 -0.101 0.000 0.836 168 D CB -0.807 40.027 40.800 0.057 0.000 0.951 168 D HN 0.085 8.455 8.370 0.001 0.000 0.449 169 A N -0.466 122.114 122.820 -0.400 0.000 1.835 169 A HA -0.267 3.312 4.320 -1.234 0.000 0.215 169 A C 1.969 179.305 177.584 -0.413 0.000 1.199 169 A CA 3.014 54.690 52.037 -0.602 0.000 0.615 169 A CB -0.542 18.327 19.000 -0.218 0.000 0.838 169 A HN -0.437 7.531 8.150 -0.177 0.076 0.444 170 L N -2.048 119.043 121.223 -0.222 0.000 1.997 170 L HA -0.611 3.652 4.340 -0.128 0.000 0.227 170 L C 2.820 179.563 176.870 -0.213 0.000 1.087 170 L CA 3.255 57.998 54.840 -0.161 0.000 0.797 170 L CB -0.836 41.165 42.059 -0.095 0.000 0.902 170 L HN 0.021 8.155 8.230 -0.160 0.000 0.441 171 R N -2.560 117.808 120.500 -0.220 0.000 2.094 171 R HA -0.470 3.962 4.340 -0.144 -0.178 0.239 171 R C 2.192 178.255 176.300 -0.396 0.000 1.137 171 R CA 3.250 59.220 56.100 -0.217 0.000 0.943 171 R CB -0.404 29.809 30.300 -0.144 0.000 0.850 171 R HN -0.387 7.770 8.270 -0.188 0.000 0.433 172 A N -1.779 120.576 122.820 -0.774 0.000 1.997 172 A HA -0.250 2.497 4.320 -2.621 0.000 0.221 172 A C 2.314 179.427 177.584 -0.785 0.000 1.172 172 A CA 2.874 53.930 52.037 -1.635 0.000 0.645 172 A CB -0.793 17.030 19.000 -1.961 0.000 0.813 172 A HN 0.018 7.758 8.150 -0.683 0.000 0.454 173 I N -3.625 116.692 120.570 -0.421 0.000 2.480 173 I HA -0.447 3.644 4.170 -0.131 0.000 0.251 173 I C 1.773 177.820 176.117 -0.116 0.000 1.124 173 I CA 3.066 64.255 61.300 -0.185 0.000 1.444 173 I CB 0.027 37.960 38.000 -0.111 0.000 1.098 173 I HN -0.362 7.449 8.210 -0.424 0.145 0.428 174 Q N -0.932 118.791 119.800 -0.128 0.000 2.226 174 Q HA -0.286 4.026 4.340 -0.047 0.000 0.204 174 Q C 1.514 177.491 176.000 -0.038 0.000 0.975 174 Q CA 3.133 58.895 55.803 -0.068 0.000 0.866 174 Q CB -0.236 28.464 28.738 -0.063 0.000 0.915 174 Q HN -0.185 7.871 8.270 -0.178 0.107 0.440 175 C N -2.173 117.104 119.300 -0.037 0.000 2.527 175 C HA -0.049 4.429 4.460 0.029 0.000 0.280 175 C C 1.387 176.410 174.990 0.055 0.000 1.353 175 C CA 1.631 60.674 59.018 0.042 0.000 1.749 175 C CB 0.302 28.131 27.740 0.149 0.000 2.088 175 C HN -0.097 8.040 8.230 -0.107 0.029 0.508 176 V N 0.924 120.861 119.914 0.039 0.000 2.490 176 V HA -0.337 3.816 4.120 0.056 0.000 0.250 176 V C -0.717 175.386 176.094 0.015 0.000 1.061 176 V CA 2.642 64.965 62.300 0.039 0.000 1.064 176 V CB 0.133 31.979 31.823 0.039 0.000 0.670 176 V HN -0.439 7.659 8.190 -0.027 0.077 0.461 177 N N -1.454 117.249 118.700 0.004 0.000 2.454 177 N HA -0.392 4.350 4.740 0.004 0.000 0.254 177 N C -0.406 175.105 175.510 0.001 0.000 1.228 177 N CA 1.411 54.462 53.050 0.002 0.000 0.900 177 N CB 0.595 39.081 38.487 -0.002 0.000 1.089 177 N HN -0.619 7.738 8.380 -0.007 0.018 0.449 178 N N 0.292 118.992 118.700 0.000 0.000 2.754 178 N HA -0.383 4.356 4.740 -0.002 0.000 0.248 178 N C -2.159 173.348 175.510 -0.004 0.000 1.093 178 N CA 1.239 54.288 53.050 -0.002 0.000 0.699 178 N CB -0.263 38.223 38.487 -0.001 0.000 1.016 178 N HN 0.267 8.647 8.380 0.000 0.000 0.552 179 V N -0.734 119.176 119.914 -0.006 0.000 2.495 179 V HA 0.099 4.211 4.120 -0.015 0.000 0.298 179 V C -1.386 174.698 176.094 -0.016 0.000 1.031 179 V CA -1.234 61.059 62.300 -0.013 0.000 0.871 179 V CB 2.879 34.691 31.823 -0.017 0.000 0.988 179 V HN -0.684 7.491 8.190 -0.003 0.012 0.432 180 V N 6.508 126.409 119.914 -0.021 0.000 2.461 180 V HA -0.010 4.102 4.120 -0.012 0.000 0.275 180 V C -0.643 175.434 176.094 -0.028 0.000 1.047 180 V CA -0.883 61.405 62.300 -0.019 0.000 0.955 180 V CB -0.017 31.795 31.823 -0.018 0.000 0.988 180 V HN 0.226 8.402 8.190 -0.023 0.000 0.471 181 V N 8.826 128.729 119.914 -0.018 0.000 2.488 181 V HA 0.138 4.232 4.120 -0.044 0.000 0.293 181 V C -0.417 175.676 176.094 -0.003 0.000 1.027 181 V CA -1.281 61.006 62.300 -0.022 0.000 0.862 181 V CB 1.912 33.727 31.823 -0.014 0.000 1.008 181 V HN 0.542 8.606 8.190 -0.008 0.122 0.428 182 D N 7.530 127.923 120.400 -0.011 0.000 2.945 182 D HA -0.348 4.290 4.640 -0.004 0.000 0.225 182 D C 0.669 176.972 176.300 0.005 0.000 1.158 182 D CA 0.976 54.978 54.000 0.003 0.000 0.805 182 D CB 0.076 40.892 40.800 0.027 0.000 1.098 182 D HN 0.903 9.256 8.370 -0.029 0.000 0.426 183 G N -5.878 102.921 108.800 -0.002 0.000 2.225 183 G HA2 -0.410 3.548 3.960 -0.004 0.000 0.254 183 G HA3 -0.410 3.552 3.960 0.003 0.000 0.254 183 G C -0.976 173.925 174.900 0.003 0.000 0.988 183 G CA 0.242 45.342 45.100 -0.000 0.000 0.625 183 G HN 0.098 8.355 8.290 -0.009 0.027 0.527 184 R N 1.808 122.312 120.500 0.007 0.000 2.338 184 R HA 0.212 4.556 4.340 0.006 0.000 0.317 184 R C -0.497 175.806 176.300 0.006 0.000 0.968 184 R CA -1.706 54.399 56.100 0.009 0.000 0.849 184 R CB 1.378 31.688 30.300 0.016 0.000 1.128 184 R HN -0.406 7.669 8.270 0.009 0.201 0.448 185 T N 7.551 122.106 114.554 0.002 0.000 2.743 185 T HA -0.002 4.531 4.350 -0.003 -0.185 0.290 185 T C 0.092 174.792 174.700 0.000 0.000 0.908 185 T CA 0.672 62.772 62.100 -0.001 0.000 1.092 185 T CB -0.162 68.704 68.868 -0.002 0.000 0.882 185 T HN 0.433 8.674 8.240 0.002 0.000 0.531 186 L N 7.153 128.379 121.223 0.005 0.000 2.464 186 L HA -0.034 4.307 4.340 0.003 0.000 0.264 186 L C -0.894 175.974 176.870 -0.002 0.000 1.199 186 L CA 0.133 54.978 54.840 0.010 0.000 0.818 186 L CB 0.671 42.755 42.059 0.042 0.000 1.102 186 L HN -0.313 7.919 8.230 0.005 0.000 0.473 187 K N 0.151 120.537 120.400 -0.024 0.000 2.578 187 K HA 0.317 4.630 4.320 -0.011 0.000 0.250 187 K C -2.398 174.166 176.600 -0.061 0.000 0.955 187 K CA -1.135 55.132 56.287 -0.033 0.000 0.825 187 K CB 2.597 35.075 32.500 -0.036 0.000 1.151 187 K HN -0.203 8.022 8.250 -0.042 0.000 0.432 188 A N 7.001 129.812 122.820 -0.015 0.000 2.337 188 A HA 0.844 5.336 4.320 -0.069 -0.213 0.329 188 A C -1.099 176.502 177.584 0.029 0.000 1.146 188 A CA -1.659 50.375 52.037 -0.005 0.000 0.800 188 A CB 2.301 21.332 19.000 0.052 0.000 1.220 188 A HN 0.357 8.508 8.150 0.002 0.000 0.472 189 S N 0.119 115.869 115.700 0.084 0.000 2.615 189 S HA 0.333 4.845 4.470 0.071 0.000 0.269 189 S C -2.658 172.043 174.600 0.168 0.000 1.161 189 S CA -0.941 57.333 58.200 0.125 0.000 0.817 189 S CB 2.602 65.899 63.200 0.162 0.000 1.131 189 S HN 0.602 8.860 8.310 0.088 0.105 0.467 190 L N -4.885 116.403 121.223 0.109 0.000 2.354 190 L HA 0.880 5.407 4.340 0.133 -0.107 0.264 190 L C 0.675 177.577 176.870 0.053 0.000 1.008 190 L CA -0.927 53.968 54.840 0.092 0.000 0.819 190 L CB 2.934 45.026 42.059 0.054 0.000 1.339 190 L HN 0.172 8.449 8.230 0.079 0.000 0.420 191 G N -1.143 107.675 108.800 0.030 0.000 2.145 191 G HA2 -0.275 3.679 3.960 -0.011 0.000 0.176 191 G HA3 -0.275 3.682 3.960 -0.006 0.000 0.176 191 G C -0.952 173.915 174.900 -0.056 0.000 1.013 191 G CA 0.042 45.137 45.100 -0.009 0.000 0.689 191 G HN 0.281 8.600 8.290 0.048 0.000 0.506 192 T N 0.723 115.226 114.554 -0.086 0.000 2.929 192 T HA 0.204 4.431 4.350 -0.205 0.000 0.284 192 T C -0.446 174.155 174.700 -0.165 0.000 1.014 192 T CA -1.262 60.714 62.100 -0.206 0.000 1.051 192 T CB 1.612 70.165 68.868 -0.525 0.000 1.028 192 T HN -0.476 7.747 8.240 -0.028 0.000 0.485 193 T N -0.359 114.072 114.554 -0.204 0.000 2.928 193 T HA 0.129 4.331 4.350 -0.245 0.000 0.284 193 T C -0.378 174.171 174.700 -0.252 0.000 1.008 193 T CA -1.376 60.580 62.100 -0.239 0.000 1.057 193 T CB 1.723 70.441 68.868 -0.249 0.000 1.018 193 T HN 0.050 8.161 8.240 -0.215 0.000 0.493 194 K N 0.993 121.210 120.400 -0.304 0.000 2.216 194 K HA 0.164 4.307 4.320 -0.294 0.000 0.207 194 K C 0.642 177.192 176.600 -0.083 0.000 1.041 194 K CA 0.767 56.917 56.287 -0.228 0.000 0.966 194 K CB 0.187 32.598 32.500 -0.148 0.000 0.955 194 K HN 0.325 8.330 8.250 -0.410 0.000 0.468 195 Y N -1.867 118.376 120.300 -0.094 0.000 2.545 195 Y HA 0.324 4.844 4.550 -0.049 0.000 0.324 195 Y C -0.648 175.236 175.900 -0.027 0.000 1.220 195 Y CA -2.505 55.563 58.100 -0.052 0.000 1.290 195 Y CB 0.733 39.167 38.460 -0.042 0.000 1.355 195 Y HN -0.355 7.609 8.280 -0.525 0.000 0.516 196 C N 2.505 121.885 119.300 0.134 0.000 2.281 196 C HA 0.233 4.677 4.460 -0.027 0.000 0.325 196 C C 0.587 175.673 174.990 0.159 0.000 1.282 196 C CA -0.598 58.465 59.018 0.075 0.000 1.640 196 C CB 1.423 29.216 27.740 0.088 0.000 2.288 196 C HN 0.144 8.508 8.230 0.223 0.000 0.507 197 S N 7.899 123.654 115.700 0.091 0.000 2.369 197 S HA -0.320 4.254 4.470 0.174 0.000 0.225 197 S C 0.481 175.166 174.600 0.142 0.000 1.043 197 S CA 2.775 61.048 58.200 0.122 0.000 1.074 197 S CB 0.125 63.361 63.200 0.060 0.000 0.962 197 S HN 0.577 8.888 8.310 0.001 0.000 0.433 198 Y N 0.387 120.702 120.300 0.024 0.000 2.030 198 Y HA -0.368 4.191 4.550 0.015 0.000 0.272 198 Y C 0.432 176.348 175.900 0.027 0.000 1.185 198 Y CA 1.916 60.027 58.100 0.019 0.000 1.120 198 Y CB -0.077 38.388 38.460 0.009 0.000 0.955 198 Y HN -0.144 8.278 8.280 0.237 0.000 0.495 199 S N -3.147 112.761 115.700 0.347 0.000 2.931 199 S HA -0.341 4.304 4.470 0.293 0.000 0.342 199 S C -0.088 174.521 174.600 0.015 0.000 1.220 199 S CA 1.349 59.672 58.200 0.205 0.000 1.045 199 S CB 0.439 63.750 63.200 0.185 0.000 0.758 199 S HN -0.383 8.177 8.310 0.418 0.000 0.508 200 G N 5.644 114.409 108.800 -0.059 0.000 4.399 200 G HA2 -0.034 3.901 3.960 -0.042 0.000 0.159 200 G HA3 -0.034 3.864 3.960 -0.104 0.000 0.159 200 G C -2.046 172.800 174.900 -0.089 0.000 1.458 200 G CA -0.046 45.007 45.100 -0.079 0.000 0.942 200 G HN -0.016 8.247 8.290 -0.046 0.000 0.306 201 P HA 0.520 4.834 4.420 -0.456 -0.167 0.275 201 P C -1.474 175.683 177.300 -0.237 0.000 1.270 201 P CA -0.713 62.194 63.100 -0.321 0.000 0.791 201 P CB 1.762 33.244 31.700 -0.364 0.000 1.089 202 S N -2.019 113.505 115.700 -0.294 0.000 2.563 202 S HA 0.063 4.463 4.470 -0.117 0.000 0.279 202 S C -0.563 173.958 174.600 -0.131 0.000 1.155 202 S CA -0.032 58.077 58.200 -0.153 0.000 0.928 202 S CB 0.925 64.075 63.200 -0.083 0.000 1.107 202 S HN -0.065 7.951 8.310 -0.490 0.000 0.462 203 S N 3.900 119.554 115.700 -0.077 0.000 3.425 203 S HA -0.291 4.157 4.470 -0.036 0.000 0.377 203 S C -0.887 173.687 174.600 -0.043 0.000 0.989 203 S CA 1.057 59.230 58.200 -0.044 0.000 1.183 203 S CB -0.953 62.237 63.200 -0.017 0.000 0.908 203 S HN 0.530 8.799 8.310 -0.068 0.000 0.472 204 G N 0.000 108.746 108.800 -0.089 0.000 5.446 204 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 204 G HA3 0.000 3.866 3.960 -0.156 0.000 0.244 204 G CA 0.000 45.065 45.100 -0.059 0.000 0.502 204 G HN 0.000 8.201 8.290 -0.121 0.016 0.925