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 3f1p_1_B DATA FIRST_RESID 357 DATA SEQUENCE VCQPTRFISR HNIEGIFTFV DHRCVATVGY QPQELLGKNI VEFCHPEDQQ DATA SEQUENCE LLRDSFQQVV KLKGQVLSVM FRFRSKNQEW LWMRTSSFTF QNPYSDEIEY DATA SEQUENCE IICTNTNVKN S 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 357 V HA 0.000 4.125 4.120 0.008 0.000 0.244 357 V C 0.000 176.100 176.094 0.010 0.000 1.182 357 V CA 0.000 62.305 62.300 0.008 0.000 1.235 357 V CB 0.000 31.828 31.823 0.008 0.000 1.184 358 C N 4.497 123.804 119.300 0.010 0.000 2.540 358 C HA 0.135 4.602 4.460 0.012 0.000 0.377 358 C C -0.551 174.448 174.990 0.015 0.000 1.274 358 C CA -0.322 58.703 59.018 0.012 0.000 1.718 358 C CB -0.260 27.487 27.740 0.012 0.000 2.391 358 C HN 0.007 8.243 8.230 0.009 0.000 0.565 359 Q N 6.584 126.394 119.800 0.017 0.000 2.289 359 Q HA 0.122 4.474 4.340 0.021 0.000 0.273 359 Q C -1.722 174.292 176.000 0.024 0.000 1.029 359 Q CA -1.398 54.417 55.803 0.021 0.000 0.896 359 Q CB 0.094 28.846 28.738 0.024 0.000 1.182 359 Q HN 0.341 8.621 8.270 0.017 0.000 0.385 360 P HA 0.054 4.490 4.420 0.027 0.000 0.267 360 P C -0.928 176.393 177.300 0.036 0.000 1.200 360 P CA 0.102 63.219 63.100 0.028 0.000 0.772 360 P CB 0.896 32.612 31.700 0.027 0.000 0.855 361 T N 5.252 119.829 114.554 0.038 0.000 2.749 361 T HA 0.047 4.426 4.350 0.049 0.000 0.295 361 T C -1.160 173.581 174.700 0.068 0.000 0.936 361 T CA 0.977 63.106 62.100 0.048 0.000 1.060 361 T CB 0.258 69.148 68.868 0.036 0.000 0.904 361 T HN 0.286 8.547 8.240 0.035 0.000 0.500 362 R N 3.627 124.185 120.500 0.097 0.000 2.710 362 R HA 0.906 5.489 4.340 0.112 -0.175 0.270 362 R C -2.427 174.005 176.300 0.219 0.000 1.021 362 R CA -1.504 54.664 56.100 0.114 0.000 0.889 362 R CB 3.660 33.989 30.300 0.047 0.000 1.243 362 R HN -0.005 8.323 8.270 0.097 0.000 0.464 363 F N -5.402 114.559 119.950 0.018 0.000 2.645 363 F HA 0.515 5.188 4.527 0.042 -0.121 0.310 363 F C -2.830 173.024 175.800 0.091 0.000 1.102 363 F CA -2.531 55.490 58.000 0.034 0.000 0.952 363 F CB 2.470 41.457 39.000 -0.021 0.000 1.326 363 F HN -0.013 8.226 8.300 -0.102 0.000 0.456 364 I N 0.523 121.209 120.570 0.194 0.000 2.488 364 I HA 0.700 5.073 4.170 0.027 -0.187 0.299 364 I C -0.554 175.734 176.117 0.285 0.000 0.984 364 I CA -1.081 60.309 61.300 0.150 0.000 1.250 364 I CB 2.589 40.723 38.000 0.224 0.000 1.389 364 I HN 0.022 8.732 8.210 0.309 -0.314 0.488 365 S N 2.410 118.265 115.700 0.259 0.000 2.627 365 S HA 0.743 5.577 4.470 0.382 -0.135 0.283 365 S C -1.845 172.933 174.600 0.298 0.000 1.127 365 S CA -1.686 56.731 58.200 0.363 0.000 0.863 365 S CB 3.499 67.034 63.200 0.558 0.000 1.121 365 S HN 0.442 8.863 8.310 0.185 0.000 0.479 366 R N 1.126 121.754 120.500 0.214 0.000 2.670 366 R HA 0.948 5.613 4.340 0.214 -0.197 0.289 366 R C -1.393 174.833 176.300 -0.124 0.000 0.965 366 R CA -1.632 54.550 56.100 0.137 0.000 0.899 366 R CB 3.514 33.872 30.300 0.095 0.000 1.173 366 R HN 0.125 8.530 8.270 0.225 0.000 0.456 367 H N 3.877 123.040 119.070 0.155 0.000 2.821 367 H HA 1.029 5.868 4.556 0.091 -0.228 0.373 367 H C -0.138 175.294 175.328 0.173 0.000 1.165 367 H CA -1.800 54.329 56.048 0.135 0.000 1.154 367 H CB 4.681 34.561 29.762 0.196 0.000 1.765 367 H HN 0.644 9.129 8.280 0.342 0.000 0.549 368 N N 1.203 120.040 118.700 0.228 0.000 2.347 368 N HA 0.081 4.957 4.740 0.227 0.000 0.253 368 N C 1.774 177.423 175.510 0.231 0.000 1.274 368 N CA -1.124 52.048 53.050 0.203 0.000 0.941 368 N CB 0.583 39.148 38.487 0.130 0.000 1.200 368 N HN -0.139 8.343 8.380 0.171 0.000 0.514 369 I N -6.726 113.954 120.570 0.183 0.000 2.756 369 I HA -0.226 4.084 4.170 0.233 0.000 0.262 369 I C 0.020 176.235 176.117 0.164 0.000 1.225 369 I CA 2.237 63.647 61.300 0.184 0.000 1.472 369 I CB -0.634 37.436 38.000 0.117 0.000 1.094 369 I HN 0.453 8.757 8.210 0.157 0.000 0.454 370 E N -1.737 118.521 120.200 0.095 0.000 2.427 370 E HA -0.130 4.233 4.350 0.022 0.000 0.196 370 E C 0.659 177.194 176.600 -0.109 0.000 1.028 370 E CA 0.374 56.785 56.400 0.018 0.000 0.864 370 E CB 0.449 30.151 29.700 0.004 0.000 0.813 370 E HN -0.620 7.909 8.360 0.091 -0.115 0.514 371 G N -3.124 105.601 108.800 -0.125 0.000 2.184 371 G HA2 -0.267 3.236 3.960 -0.762 0.000 0.206 371 G HA3 -0.267 3.241 3.960 -0.754 0.000 0.206 371 G C -0.798 174.012 174.900 -0.151 0.000 0.995 371 G CA -0.373 44.434 45.100 -0.488 0.000 0.651 371 G HN -0.361 7.910 8.290 0.040 0.043 0.511 372 I N 2.184 122.755 120.570 0.001 0.000 2.618 372 I HA -0.098 4.291 4.170 0.075 -0.174 0.284 372 I C 0.079 176.229 176.117 0.054 0.000 1.146 372 I CA -0.890 60.447 61.300 0.063 0.000 1.425 372 I CB -1.373 36.668 38.000 0.068 0.000 1.383 372 I HN -0.544 7.929 8.210 0.013 -0.255 0.562 373 F N 7.187 127.142 119.950 0.009 0.000 2.571 373 F HA -0.098 4.224 4.527 -0.588 -0.148 0.384 373 F C 1.161 176.890 175.800 -0.118 0.000 1.058 373 F CA 1.611 59.477 58.000 -0.223 0.000 1.200 373 F CB -0.317 38.607 39.000 -0.125 0.000 1.077 373 F HN 0.313 8.800 8.300 0.311 0.000 0.558 374 T N 1.574 116.155 114.554 0.045 0.000 3.010 374 T HA 0.149 4.546 4.350 0.078 0.000 0.257 374 T C -0.561 174.226 174.700 0.144 0.000 1.020 374 T CA -0.735 61.409 62.100 0.074 0.000 0.938 374 T CB 1.410 70.299 68.868 0.036 0.000 1.049 374 T HN 0.701 8.805 8.240 -0.049 0.107 0.522 375 F N 1.489 121.435 119.950 -0.006 0.000 2.635 375 F HA 0.283 4.812 4.527 0.004 0.000 0.314 375 F C -2.978 172.870 175.800 0.079 0.000 1.119 375 F CA 0.080 58.085 58.000 0.009 0.000 1.000 375 F CB 3.549 42.534 39.000 -0.025 0.000 1.278 375 F HN -0.750 7.637 8.300 0.144 0.000 0.446 376 V N 7.065 126.352 119.914 -1.045 0.000 2.569 376 V HA 0.223 4.202 4.120 -0.233 0.000 0.301 376 V C -1.978 173.644 176.094 -0.788 0.000 1.044 376 V CA -1.598 60.339 62.300 -0.605 0.000 0.874 376 V CB 3.073 34.646 31.823 -0.417 0.000 1.002 376 V HN 0.189 7.560 8.190 -1.365 0.000 0.424 377 D N 7.217 127.420 120.400 -0.328 0.000 2.424 377 D HA -0.040 4.561 4.640 -0.065 0.000 0.244 377 D C 0.838 177.105 176.300 -0.056 0.000 1.134 377 D CA -0.136 53.836 54.000 -0.047 0.000 0.881 377 D CB 1.947 42.895 40.800 0.248 0.000 1.191 377 D HN -0.045 8.297 8.370 -0.047 0.000 0.445 378 H N 7.562 126.569 119.070 -0.104 0.000 2.543 378 H HA -0.228 4.217 4.556 -0.184 0.000 0.286 378 H C 1.619 176.879 175.328 -0.113 0.000 1.037 378 H CA 2.641 58.613 56.048 -0.126 0.000 1.250 378 H CB 0.075 29.791 29.762 -0.077 0.000 1.373 378 H HN 0.470 8.834 8.280 0.140 0.000 0.580 379 R N -1.521 118.966 120.500 -0.022 0.000 2.341 379 R HA -0.282 4.026 4.340 -0.053 0.000 0.213 379 R C 1.673 177.839 176.300 -0.223 0.000 1.082 379 R CA 2.530 58.602 56.100 -0.046 0.000 1.017 379 R CB -0.603 29.759 30.300 0.103 0.000 0.860 379 R HN 0.071 8.698 8.270 0.073 -0.313 0.473 380 C N -1.972 117.009 119.300 -0.533 0.000 2.411 380 C HA -0.343 3.250 4.460 -1.446 0.000 0.279 380 C C 1.094 175.710 174.990 -0.624 0.000 1.288 380 C CA 3.120 61.495 59.018 -1.071 0.000 1.764 380 C CB -1.279 25.618 27.740 -1.404 0.000 1.974 380 C HN -0.040 7.854 8.230 -0.477 0.050 0.498 381 V N 2.351 121.945 119.914 -0.534 0.000 2.295 381 V HA -0.434 3.602 4.120 -0.362 -0.133 0.246 381 V C 2.359 178.287 176.094 -0.277 0.000 1.049 381 V CA 3.800 65.855 62.300 -0.408 0.000 1.024 381 V CB -0.316 31.222 31.823 -0.475 0.000 0.648 381 V HN -0.541 7.260 8.190 -0.617 0.019 0.447 382 A N -2.833 119.854 122.820 -0.222 0.000 2.015 382 A HA -0.204 4.047 4.320 -0.115 0.000 0.219 382 A C 1.312 178.830 177.584 -0.110 0.000 1.163 382 A CA 2.594 54.554 52.037 -0.128 0.000 0.646 382 A CB -0.719 18.241 19.000 -0.067 0.000 0.806 382 A HN -0.208 7.799 8.150 -0.238 0.000 0.448 383 T N -2.495 111.978 114.554 -0.135 0.000 2.901 383 T HA -0.157 4.180 4.350 -0.022 0.000 0.252 383 T C 1.113 175.741 174.700 -0.120 0.000 1.035 383 T CA 3.073 65.135 62.100 -0.064 0.000 1.142 383 T CB 0.901 69.824 68.868 0.090 0.000 0.869 383 T HN -0.740 7.243 8.240 -0.200 0.137 0.442 384 V N -8.109 111.676 119.914 -0.215 0.000 3.398 384 V HA 0.493 4.543 4.120 -0.117 0.000 0.298 384 V C -0.412 175.560 176.094 -0.203 0.000 1.496 384 V CA -0.809 61.392 62.300 -0.165 0.000 1.044 384 V CB 1.761 33.444 31.823 -0.234 0.000 0.880 384 V HN -0.159 7.855 8.190 -0.293 0.000 0.443 385 G N 0.033 108.679 108.800 -0.256 0.000 2.195 385 G HA2 -0.433 3.504 3.960 -0.252 0.000 0.246 385 G HA3 -0.433 3.316 3.960 -0.351 0.000 0.246 385 G C -0.715 173.969 174.900 -0.361 0.000 0.984 385 G CA 0.582 45.493 45.100 -0.314 0.000 0.633 385 G HN -0.402 7.641 8.290 -0.254 0.095 0.525 386 Y N -0.051 120.116 120.300 -0.222 0.000 2.301 386 Y HA -0.028 4.570 4.550 -0.143 -0.134 0.325 386 Y C 0.070 175.796 175.900 -0.289 0.000 1.203 386 Y CA -0.381 57.593 58.100 -0.212 0.000 1.255 386 Y CB 0.761 39.088 38.460 -0.221 0.000 1.232 386 Y HN -0.570 7.602 8.280 -0.084 0.057 0.501 387 Q N 1.217 120.991 119.800 -0.043 0.000 2.421 387 Q HA 0.134 4.363 4.340 -0.185 0.000 0.255 387 Q C -0.484 175.418 176.000 -0.164 0.000 1.013 387 Q CA -1.222 54.512 55.803 -0.115 0.000 0.895 387 Q CB -0.847 27.863 28.738 -0.046 0.000 1.271 387 Q HN 0.070 8.658 8.270 0.009 -0.313 0.460 388 P HA -0.285 3.920 4.420 -0.358 0.000 0.217 388 P C 0.621 177.795 177.300 -0.211 0.000 1.151 388 P CA 3.034 65.981 63.100 -0.256 0.000 0.849 388 P CB 0.165 31.741 31.700 -0.206 0.000 0.787 389 Q N -4.910 114.819 119.800 -0.119 0.000 2.437 389 Q HA -0.263 4.027 4.340 -0.084 0.000 0.210 389 Q C 0.884 176.844 176.000 -0.067 0.000 0.972 389 Q CA 2.240 57.995 55.803 -0.080 0.000 0.903 389 Q CB -1.319 27.396 28.738 -0.038 0.000 0.967 389 Q HN 0.507 8.716 8.270 -0.090 0.007 0.486 390 E N -1.772 118.384 120.200 -0.074 0.000 2.435 390 E HA -0.105 4.250 4.350 0.008 0.000 0.195 390 E C 0.714 177.238 176.600 -0.126 0.000 1.029 390 E CA 0.863 57.244 56.400 -0.033 0.000 0.865 390 E CB 0.476 30.235 29.700 0.098 0.000 0.833 390 E HN -0.523 7.643 8.360 -0.085 0.142 0.510 391 L N -2.535 118.497 121.223 -0.318 0.000 2.362 391 L HA 0.019 4.089 4.340 -0.450 0.000 0.204 391 L C -0.117 176.577 176.870 -0.293 0.000 1.060 391 L CA 0.978 55.476 54.840 -0.570 0.000 0.827 391 L CB 1.177 42.515 42.059 -1.202 0.000 1.027 391 L HN -0.524 7.323 8.230 -0.323 0.190 0.474 392 L N -2.738 118.350 121.223 -0.224 0.000 2.578 392 L HA -0.599 3.859 4.340 0.003 -0.116 0.279 392 L C 1.041 177.936 176.870 0.042 0.000 1.227 392 L CA 2.000 56.809 54.840 -0.053 0.000 0.900 392 L CB -0.178 41.841 42.059 -0.066 0.000 1.144 392 L HN -0.449 7.628 8.230 -0.255 0.000 0.496 393 G N 2.402 111.268 108.800 0.111 0.000 2.205 393 G HA2 -0.388 3.627 3.960 0.093 0.000 0.261 393 G HA3 -0.388 3.613 3.960 0.068 0.000 0.261 393 G C -0.758 174.219 174.900 0.128 0.000 0.980 393 G CA 0.003 45.163 45.100 0.100 0.000 0.632 393 G HN 0.411 8.787 8.290 0.143 0.000 0.533 394 K N 0.567 121.097 120.400 0.215 0.000 2.098 394 K HA 0.062 4.469 4.320 0.144 0.000 0.258 394 K C -1.320 175.477 176.600 0.329 0.000 0.973 394 K CA -0.943 55.496 56.287 0.253 0.000 0.898 394 K CB 1.855 34.559 32.500 0.340 0.000 1.057 394 K HN -0.450 7.873 8.250 0.248 0.076 0.447 395 N N 1.908 120.709 118.700 0.168 0.000 2.520 395 N HA -0.085 4.827 4.740 0.028 -0.156 0.273 395 N C 1.889 177.496 175.510 0.161 0.000 1.155 395 N CA 0.400 53.491 53.050 0.069 0.000 0.967 395 N CB 1.483 39.938 38.487 -0.054 0.000 1.092 395 N HN -0.051 8.699 8.380 0.094 -0.314 0.457 396 I N 6.057 126.599 120.570 -0.045 0.000 2.315 396 I HA -0.400 4.039 4.170 0.447 0.000 0.251 396 I C 1.166 177.290 176.117 0.012 0.000 1.125 396 I CA 2.982 64.296 61.300 0.024 0.000 1.392 396 I CB 0.365 38.120 38.000 -0.409 0.000 1.065 396 I HN 0.094 8.154 8.210 -0.250 0.000 0.424 397 V N -1.183 118.634 119.914 -0.160 0.000 2.594 397 V HA -0.535 3.475 4.120 -0.184 0.000 0.253 397 V C 1.964 177.997 176.094 -0.102 0.000 1.069 397 V CA 3.674 65.879 62.300 -0.158 0.000 1.082 397 V CB -0.518 31.191 31.823 -0.191 0.000 0.680 397 V HN -0.293 8.067 8.190 -0.229 -0.307 0.469 398 E N 0.861 120.986 120.200 -0.125 0.000 2.209 398 E HA -0.335 3.871 4.350 -0.239 0.000 0.196 398 E C 1.472 177.802 176.600 -0.451 0.000 0.993 398 E CA 3.108 59.320 56.400 -0.313 0.000 0.819 398 E CB -0.105 29.308 29.700 -0.479 0.000 0.745 398 E HN -0.313 7.883 8.360 -0.078 0.117 0.477 399 F N -4.578 115.286 119.950 -0.144 0.000 2.727 399 F HA 0.074 4.484 4.527 -0.195 0.000 0.302 399 F C -1.083 174.683 175.800 -0.056 0.000 1.097 399 F CA 0.429 58.258 58.000 -0.284 0.000 1.330 399 F CB 0.415 38.878 39.000 -0.895 0.000 1.084 399 F HN -0.464 7.823 8.300 0.032 0.032 0.578 400 C N 0.244 119.650 119.300 0.177 0.000 2.365 400 C HA 0.446 5.395 4.460 0.497 -0.190 0.351 400 C C -0.493 174.608 174.990 0.185 0.000 1.240 400 C CA -1.743 57.443 59.018 0.280 0.000 2.062 400 C CB 2.169 29.934 27.740 0.041 0.000 2.387 400 C HN -0.638 7.464 8.230 0.066 0.168 0.537 401 H N 8.628 127.583 119.070 -0.193 0.000 2.972 401 H HA -0.009 3.890 4.556 -1.094 0.000 0.343 401 H C -0.666 174.475 175.328 -0.311 0.000 1.054 401 H CA 1.451 57.033 56.048 -0.777 0.000 1.412 401 H CB 1.285 30.338 29.762 -1.181 0.000 1.385 401 H HN 0.142 8.467 8.280 0.076 0.000 0.600 402 P HA -0.203 4.389 4.420 -0.069 -0.213 0.216 402 P C 1.458 178.783 177.300 0.041 0.000 1.150 402 P CA 2.541 65.586 63.100 -0.092 0.000 0.843 402 P CB 0.362 31.972 31.700 -0.150 0.000 0.787 403 E N -4.299 116.037 120.200 0.226 0.000 2.204 403 E HA -0.246 4.139 4.350 0.058 0.000 0.194 403 E C 0.751 177.372 176.600 0.034 0.000 0.989 403 E CA 2.451 58.907 56.400 0.092 0.000 0.824 403 E CB -0.211 29.498 29.700 0.015 0.000 0.756 403 E HN -0.523 8.197 8.360 0.615 0.009 0.477 404 D N -2.949 117.472 120.400 0.035 0.000 2.369 404 D HA 0.145 4.814 4.640 0.049 0.000 0.211 404 D C 1.115 177.421 176.300 0.010 0.000 1.077 404 D CA 0.499 54.524 54.000 0.042 0.000 0.842 404 D CB 0.588 41.448 40.800 0.100 0.000 0.947 404 D HN -0.420 7.845 8.370 0.057 0.139 0.509 405 Q N -0.077 119.717 119.800 -0.011 0.000 2.084 405 Q HA -0.362 3.928 4.340 -0.085 0.000 0.202 405 Q C 1.970 177.939 176.000 -0.053 0.000 0.978 405 Q CA 3.758 59.530 55.803 -0.052 0.000 0.844 405 Q CB -0.207 28.502 28.738 -0.050 0.000 0.898 405 Q HN -0.650 7.620 8.270 -0.000 0.000 0.426 406 Q N -1.481 118.304 119.800 -0.025 0.000 2.119 406 Q HA -0.258 4.066 4.340 -0.026 0.000 0.201 406 Q C 1.676 177.671 176.000 -0.007 0.000 0.972 406 Q CA 3.016 58.809 55.803 -0.018 0.000 0.847 406 Q CB -0.894 27.840 28.738 -0.007 0.000 0.903 406 Q HN 0.187 8.448 8.270 -0.015 0.000 0.433 407 L N -0.545 120.681 121.223 0.005 0.000 2.013 407 L HA -0.223 4.293 4.340 0.024 -0.162 0.212 407 L C 1.849 178.727 176.870 0.013 0.000 1.073 407 L CA 2.900 57.752 54.840 0.021 0.000 0.753 407 L CB -0.604 41.485 42.059 0.049 0.000 0.890 407 L HN -0.251 7.984 8.230 0.009 0.000 0.432 408 L N -1.831 119.373 121.223 -0.032 0.000 2.027 408 L HA -0.372 3.953 4.340 -0.025 0.000 0.206 408 L C 1.688 178.575 176.870 0.029 0.000 1.074 408 L CA 3.072 57.872 54.840 -0.066 0.000 0.745 408 L CB -0.599 41.280 42.059 -0.299 0.000 0.898 408 L HN -0.352 7.848 8.230 -0.050 0.000 0.433 409 R N -0.831 119.649 120.500 -0.033 0.000 2.083 409 R HA -0.492 3.825 4.340 -0.038 0.000 0.237 409 R C 2.400 178.734 176.300 0.056 0.000 1.137 409 R CA 4.095 60.188 56.100 -0.011 0.000 0.951 409 R CB -0.480 29.796 30.300 -0.040 0.000 0.851 409 R HN -0.064 8.168 8.270 -0.062 0.000 0.434 410 D N -0.876 119.545 120.400 0.035 0.000 2.116 410 D HA -0.223 4.434 4.640 0.028 0.000 0.193 410 D C 2.442 178.769 176.300 0.044 0.000 0.998 410 D CA 3.203 57.224 54.000 0.034 0.000 0.836 410 D CB -0.712 40.101 40.800 0.022 0.000 0.951 410 D HN 0.082 8.464 8.370 0.020 0.000 0.449 411 S N 0.604 116.336 115.700 0.054 0.000 2.356 411 S HA -0.251 4.214 4.470 -0.008 0.000 0.223 411 S C 1.871 176.451 174.600 -0.033 0.000 1.032 411 S CA 3.443 61.649 58.200 0.011 0.000 1.005 411 S CB -0.380 62.826 63.200 0.010 0.000 0.867 411 S HN -0.352 7.995 8.310 0.062 0.000 0.449 412 F N 0.828 120.731 119.950 -0.079 0.000 2.171 412 F HA -0.454 4.026 4.527 -0.078 0.000 0.300 412 F C 2.061 177.835 175.800 -0.044 0.000 1.090 412 F CA 4.470 62.423 58.000 -0.078 0.000 1.293 412 F CB -0.226 38.708 39.000 -0.111 0.000 1.013 412 F HN -0.465 8.046 8.300 0.352 0.000 0.486 413 Q N -2.811 117.057 119.800 0.113 0.000 2.079 413 Q HA -0.317 4.064 4.340 0.068 0.000 0.200 413 Q C 1.957 177.970 176.000 0.022 0.000 0.974 413 Q CA 2.689 58.528 55.803 0.059 0.000 0.840 413 Q CB -0.221 28.543 28.738 0.044 0.000 0.898 413 Q HN -0.533 7.725 8.270 0.121 0.085 0.430 414 Q N -1.041 118.761 119.800 0.004 0.000 2.269 414 Q HA -0.112 4.226 4.340 -0.004 0.000 0.201 414 Q C 2.376 178.360 176.000 -0.027 0.000 0.946 414 Q CA 2.192 57.989 55.803 -0.010 0.000 0.877 414 Q CB 0.619 29.352 28.738 -0.009 0.000 0.963 414 Q HN -0.539 7.734 8.270 0.005 0.000 0.472 415 V N 0.600 120.477 119.914 -0.061 0.000 2.594 415 V HA -0.408 3.680 4.120 -0.054 0.000 0.253 415 V C 1.398 177.467 176.094 -0.042 0.000 1.069 415 V CA 3.232 65.487 62.300 -0.075 0.000 1.082 415 V CB 0.006 31.730 31.823 -0.165 0.000 0.680 415 V HN -0.513 7.628 8.190 -0.081 0.000 0.469 416 V N -8.217 111.679 119.914 -0.031 0.000 3.078 416 V HA -0.212 3.897 4.120 -0.018 0.000 0.265 416 V C 0.408 176.494 176.094 -0.012 0.000 1.122 416 V CA 2.119 64.410 62.300 -0.016 0.000 1.141 416 V CB -0.422 31.400 31.823 -0.002 0.000 0.735 416 V HN -0.323 7.834 8.190 -0.030 0.015 0.498 417 K N -1.427 118.966 120.400 -0.011 0.000 2.379 417 K HA -0.003 4.311 4.320 -0.010 0.000 0.194 417 K C 0.533 177.127 176.600 -0.010 0.000 1.031 417 K CA 1.146 57.428 56.287 -0.010 0.000 1.037 417 K CB 0.437 32.933 32.500 -0.007 0.000 0.824 417 K HN -0.137 7.931 8.250 -0.013 0.175 0.516 418 L N -1.544 119.674 121.223 -0.009 0.000 2.728 418 L HA 0.150 4.485 4.340 -0.007 0.000 0.235 418 L C -0.824 176.044 176.870 -0.003 0.000 1.197 418 L CA -0.905 53.931 54.840 -0.006 0.000 0.992 418 L CB -0.517 41.539 42.059 -0.004 0.000 1.263 418 L HN -0.762 7.416 8.230 -0.009 0.046 0.484 419 K N -3.504 116.892 120.400 -0.007 0.000 3.129 419 K HA -0.306 4.004 4.320 -0.018 0.000 0.273 419 K C -0.015 176.583 176.600 -0.002 0.000 1.123 419 K CA 0.704 56.984 56.287 -0.012 0.000 0.800 419 K CB -2.455 30.035 32.500 -0.016 0.000 1.238 419 K HN 0.340 8.523 8.250 -0.010 0.061 0.492 420 G N -5.769 103.042 108.800 0.020 0.000 2.179 420 G HA2 -0.406 3.618 3.960 0.106 0.000 0.260 420 G HA3 -0.406 3.583 3.960 0.047 0.000 0.260 420 G C -0.150 174.785 174.900 0.060 0.000 0.977 420 G CA 0.001 45.139 45.100 0.062 0.000 0.641 420 G HN 0.315 8.601 8.290 0.020 0.016 0.533 421 Q N -0.299 119.517 119.800 0.026 0.000 2.382 421 Q HA 0.041 4.363 4.340 -0.030 0.000 0.229 421 Q C -0.199 175.831 176.000 0.051 0.000 1.006 421 Q CA -0.122 55.683 55.803 0.004 0.000 0.916 421 Q CB 1.373 30.109 28.738 -0.005 0.000 1.235 421 Q HN -0.451 7.778 8.270 0.018 0.052 0.512 422 V N 0.280 120.212 119.914 0.030 0.000 2.555 422 V HA 0.133 4.803 4.120 0.159 -0.454 0.286 422 V C -0.205 175.914 176.094 0.043 0.000 1.044 422 V CA -0.354 61.993 62.300 0.079 0.000 1.026 422 V CB 0.495 32.351 31.823 0.056 0.000 0.981 422 V HN 0.081 8.265 8.190 -0.010 0.000 0.480 423 L N 8.136 129.380 121.223 0.035 0.000 2.333 423 L HA 0.482 4.826 4.340 0.006 0.000 0.280 423 L C -1.982 174.892 176.870 0.006 0.000 1.004 423 L CA -1.064 53.777 54.840 0.002 0.000 0.820 423 L CB 3.107 45.143 42.059 -0.038 0.000 1.247 423 L HN 0.609 8.866 8.230 0.045 0.000 0.416 424 S N 6.033 121.747 115.700 0.023 0.000 2.568 424 S HA 0.971 5.675 4.470 0.047 -0.206 0.302 424 S C -1.276 173.363 174.600 0.066 0.000 1.082 424 S CA -1.338 56.890 58.200 0.046 0.000 1.009 424 S CB 2.318 65.550 63.200 0.053 0.000 1.069 424 S HN 0.108 8.431 8.310 0.023 0.000 0.500 425 V N 2.901 122.886 119.914 0.118 0.000 2.841 425 V HA 0.366 4.573 4.120 0.144 0.000 0.310 425 V C -2.162 174.106 176.094 0.290 0.000 1.090 425 V CA -1.861 60.547 62.300 0.181 0.000 0.930 425 V CB 3.793 35.719 31.823 0.172 0.000 1.014 425 V HN 0.828 9.099 8.190 0.134 0.000 0.425 426 M N 6.140 125.915 119.600 0.291 0.000 2.318 426 M HA 0.960 6.031 4.480 0.327 -0.395 0.347 426 M C -0.982 175.666 176.300 0.580 0.000 1.175 426 M CA -1.413 54.105 55.300 0.365 0.000 1.075 426 M CB 0.646 33.387 32.600 0.235 0.000 1.614 426 M HN 0.075 8.505 8.290 0.234 0.000 0.456 427 F N -3.476 116.713 119.950 0.397 0.000 2.741 427 F HA 0.462 5.241 4.527 0.231 -0.113 0.311 427 F C -3.121 172.730 175.800 0.086 0.000 1.149 427 F CA -1.598 56.545 58.000 0.239 0.000 0.930 427 F CB 1.730 40.830 39.000 0.167 0.000 1.312 427 F HN 0.391 8.877 8.300 0.311 0.000 0.450 428 R N -0.748 119.645 120.500 -0.178 0.000 2.254 428 R HA 0.372 4.608 4.340 -0.461 -0.173 0.318 428 R C -1.679 174.805 176.300 0.307 0.000 1.031 428 R CA -0.668 55.240 56.100 -0.319 0.000 0.905 428 R CB 1.491 31.352 30.300 -0.732 0.000 1.050 428 R HN 0.223 8.734 8.270 -0.060 -0.277 0.456 429 F N 5.324 125.402 119.950 0.213 0.000 2.444 429 F HA 0.625 5.751 4.527 0.679 -0.192 0.342 429 F C -1.594 174.488 175.800 0.471 0.000 1.121 429 F CA -2.268 55.998 58.000 0.443 0.000 0.997 429 F CB 4.201 43.307 39.000 0.177 0.000 1.130 429 F HN 0.631 9.121 8.300 0.318 0.000 0.454 430 R N 9.369 130.172 120.500 0.504 0.000 2.288 430 R HA 0.095 4.409 4.340 -0.285 -0.145 0.330 430 R C -0.579 175.976 176.300 0.425 0.000 1.069 430 R CA -0.430 55.694 56.100 0.039 0.000 0.941 430 R CB 0.511 30.615 30.300 -0.327 0.000 0.998 430 R HN 0.410 8.907 8.270 0.378 0.000 0.452 431 S N 5.614 121.439 115.700 0.208 0.000 2.617 431 S HA 0.074 4.815 4.470 0.305 -0.087 0.259 431 S C 1.555 176.058 174.600 -0.162 0.000 1.301 431 S CA 0.172 58.446 58.200 0.123 0.000 0.984 431 S CB 1.559 64.744 63.200 -0.025 0.000 0.954 431 S HN 0.552 8.897 8.310 0.060 0.000 0.572 432 K N 1.272 121.277 120.400 -0.658 0.000 2.211 432 K HA -0.229 3.511 4.320 -0.966 0.000 0.204 432 K C 1.307 177.713 176.600 -0.324 0.000 1.047 432 K CA 2.070 57.888 56.287 -0.781 0.000 0.935 432 K CB -0.226 31.783 32.500 -0.818 0.000 0.728 432 K HN 0.209 8.042 8.250 -0.696 0.000 0.452 433 N N -1.965 116.595 118.700 -0.234 0.000 2.370 433 N HA -0.019 4.633 4.740 -0.147 0.000 0.198 433 N C -1.198 174.220 175.510 -0.153 0.000 1.156 433 N CA -0.330 52.625 53.050 -0.159 0.000 0.839 433 N CB 0.162 38.573 38.487 -0.126 0.000 0.989 433 N HN -0.622 7.598 8.380 -0.232 0.020 0.468 434 Q N -7.332 112.361 119.800 -0.179 0.000 2.503 434 Q HA -0.472 3.758 4.340 -0.273 -0.054 0.267 434 Q C -1.799 173.989 176.000 -0.353 0.000 1.030 434 Q CA 1.723 57.378 55.803 -0.246 0.000 1.041 434 Q CB -2.785 25.839 28.738 -0.191 0.000 1.406 434 Q HN -0.018 7.960 8.270 -0.174 0.188 0.524 435 E N -2.104 117.925 120.200 -0.286 0.000 2.207 435 E HA 0.218 4.391 4.350 -0.295 0.000 0.270 435 E C -1.198 175.265 176.600 -0.228 0.000 0.927 435 E CA -2.066 54.186 56.400 -0.248 0.000 0.799 435 E CB 2.417 32.064 29.700 -0.088 0.000 1.172 435 E HN -0.805 7.403 8.360 -0.210 0.026 0.404 436 W N 1.699 123.021 121.300 0.036 0.000 2.388 436 W HA 0.077 4.908 4.660 0.047 -0.143 0.308 436 W C 0.244 176.729 176.519 -0.057 0.000 1.263 436 W CA -0.411 56.934 57.345 -0.001 0.000 1.286 436 W CB 0.364 29.802 29.460 -0.036 0.000 1.294 436 W HN 0.276 8.463 8.180 0.011 0.000 0.493 437 L N 2.774 124.126 121.223 0.216 0.000 2.322 437 L HA 0.348 4.756 4.340 0.114 0.000 0.281 437 L C -0.696 176.194 176.870 0.033 0.000 1.014 437 L CA -1.473 53.438 54.840 0.119 0.000 0.815 437 L CB 2.035 44.167 42.059 0.122 0.000 1.247 437 L HN 0.479 8.894 8.230 0.309 0.000 0.421 438 W N 2.707 124.054 121.300 0.079 0.000 2.304 438 W HA 0.013 4.801 4.660 -0.013 -0.135 0.313 438 W C -0.703 175.773 176.519 -0.071 0.000 1.323 438 W CA 0.292 57.636 57.345 -0.001 0.000 1.223 438 W CB 0.974 30.437 29.460 0.005 0.000 1.237 438 W HN 0.478 8.830 8.180 0.286 0.000 0.535 439 M N 4.281 123.922 119.600 0.069 0.000 2.383 439 M HA 0.760 5.401 4.480 -0.030 -0.179 0.325 439 M C -2.049 174.256 176.300 0.008 0.000 1.092 439 M CA -1.907 53.327 55.300 -0.110 0.000 0.961 439 M CB 4.591 36.893 32.600 -0.497 0.000 1.672 439 M HN 0.737 9.042 8.290 0.026 0.000 0.438 440 R N 6.107 126.637 120.500 0.049 0.000 2.310 440 R HA 0.629 5.231 4.340 0.148 -0.173 0.324 440 R C -1.011 175.350 176.300 0.102 0.000 0.955 440 R CA -1.334 54.825 56.100 0.098 0.000 0.830 440 R CB 2.403 32.744 30.300 0.068 0.000 1.154 440 R HN 0.736 9.026 8.270 0.034 0.000 0.458 441 T N 10.737 125.406 114.554 0.190 0.000 2.758 441 T HA 0.565 5.191 4.350 0.106 -0.212 0.285 441 T C -1.066 173.696 174.700 0.104 0.000 0.981 441 T CA -0.110 62.092 62.100 0.171 0.000 0.965 441 T CB 1.322 70.385 68.868 0.326 0.000 0.927 441 T HN 0.719 9.115 8.240 0.260 0.000 0.448 442 S N 9.181 124.923 115.700 0.069 0.000 2.438 442 S HA 0.262 4.896 4.470 0.065 -0.124 0.316 442 S C -1.423 173.219 174.600 0.071 0.000 1.084 442 S CA -0.006 58.239 58.200 0.074 0.000 1.107 442 S CB 0.966 64.221 63.200 0.092 0.000 0.981 442 S HN 0.566 8.912 8.310 0.060 0.000 0.466 443 S N 5.405 121.123 115.700 0.030 0.000 2.600 443 S HA 1.231 6.068 4.470 -0.115 -0.436 0.300 443 S C -1.256 173.402 174.600 0.097 0.000 1.087 443 S CA -1.745 56.414 58.200 -0.067 0.000 0.965 443 S CB 3.188 66.216 63.200 -0.285 0.000 1.089 443 S HN 0.403 8.727 8.310 0.023 0.000 0.496 444 F N -4.277 115.643 119.950 -0.049 0.000 2.719 444 F HA 0.538 5.033 4.527 -0.054 0.000 0.309 444 F C -2.074 173.725 175.800 -0.001 0.000 1.138 444 F CA -1.165 56.817 58.000 -0.029 0.000 0.943 444 F CB 2.631 41.631 39.000 0.000 0.000 1.304 444 F HN 0.574 8.609 8.300 -0.441 0.000 0.445 445 T N -2.919 111.721 114.554 0.143 0.000 2.899 445 T HA 0.714 5.226 4.350 -0.048 -0.191 0.284 445 T C -1.008 173.784 174.700 0.153 0.000 1.004 445 T CA -1.392 60.729 62.100 0.035 0.000 1.043 445 T CB 1.619 70.484 68.868 -0.003 0.000 1.013 445 T HN 0.057 8.412 8.240 0.193 0.000 0.518 446 F N 2.926 122.723 119.950 -0.255 0.000 2.591 446 F HA 0.383 4.842 4.527 -0.115 0.000 0.309 446 F C -3.044 172.435 175.800 -0.536 0.000 1.098 446 F CA -0.307 57.514 58.000 -0.297 0.000 0.937 446 F CB 4.090 42.933 39.000 -0.261 0.000 1.250 446 F HN 0.234 8.413 8.300 -0.202 0.000 0.447 447 Q N 3.926 122.996 119.800 -1.218 0.000 2.418 447 Q HA 0.125 4.017 4.340 -0.746 0.000 0.282 447 Q C -2.450 172.845 176.000 -1.175 0.000 1.044 447 Q CA -2.016 53.222 55.803 -0.941 0.000 0.813 447 Q CB 3.364 31.854 28.738 -0.413 0.000 1.428 447 Q HN -0.086 7.422 8.270 -1.270 0.000 0.402 448 N N 1.341 119.743 118.700 -0.496 0.000 2.452 448 N HA 0.105 4.765 4.740 -0.134 0.000 0.266 448 N C 0.395 175.829 175.510 -0.127 0.000 1.209 448 N CA -1.629 51.339 53.050 -0.137 0.000 0.929 448 N CB 1.197 39.790 38.487 0.177 0.000 1.063 448 N HN 0.058 8.652 8.380 -0.208 -0.338 0.472 449 P HA 0.124 4.576 4.420 -0.200 -0.152 0.226 449 P C 0.189 177.386 177.300 -0.171 0.000 1.153 449 P CA 1.438 64.432 63.100 -0.177 0.000 0.777 449 P CB 0.136 31.712 31.700 -0.207 0.000 0.794 450 Y N -1.716 118.567 120.300 -0.028 0.000 2.578 450 Y HA -0.109 4.434 4.550 -0.010 0.000 0.297 450 Y C 0.240 176.133 175.900 -0.012 0.000 1.176 450 Y CA 0.414 58.508 58.100 -0.009 0.000 1.315 450 Y CB -0.156 38.311 38.460 0.012 0.000 1.031 450 Y HN -0.076 8.625 8.280 0.267 -0.261 0.524 451 S N -1.114 114.636 115.700 0.084 0.000 2.709 451 S HA 0.104 4.611 4.470 0.062 0.000 0.302 451 S C -1.377 173.222 174.600 -0.003 0.000 1.127 451 S CA -1.517 56.713 58.200 0.050 0.000 0.905 451 S CB 2.943 66.179 63.200 0.061 0.000 1.151 451 S HN -0.404 7.759 8.310 0.041 0.172 0.510 452 D N -0.645 119.757 120.400 0.003 0.000 2.772 452 D HA 0.201 4.934 4.640 -0.032 -0.112 0.272 452 D C -0.285 176.015 176.300 -0.000 0.000 1.314 452 D CA -1.927 52.065 54.000 -0.012 0.000 0.835 452 D CB 0.027 40.822 40.800 -0.009 0.000 1.080 452 D HN 0.019 8.399 8.370 0.017 0.000 0.482 453 E N -1.850 118.355 120.200 0.009 0.000 2.415 453 E HA -0.224 4.151 4.350 0.043 0.000 0.262 453 E C -0.365 176.248 176.600 0.021 0.000 1.038 453 E CA -0.165 56.255 56.400 0.035 0.000 0.921 453 E CB 0.540 30.285 29.700 0.075 0.000 0.950 453 E HN -0.635 7.665 8.360 0.009 0.066 0.438 454 I N 2.165 122.764 120.570 0.048 0.000 2.692 454 I HA -0.170 4.009 4.170 0.015 0.000 0.284 454 I C -0.386 175.759 176.117 0.046 0.000 1.159 454 I CA -0.190 61.135 61.300 0.041 0.000 1.423 454 I CB 0.811 38.849 38.000 0.063 0.000 1.380 454 I HN -0.005 8.241 8.210 0.061 0.000 0.580 455 E N 5.780 125.972 120.200 -0.013 0.000 2.436 455 E HA -0.100 4.276 4.350 -0.202 -0.148 0.262 455 E C -0.836 175.795 176.600 0.053 0.000 1.063 455 E CA 1.374 57.724 56.400 -0.083 0.000 0.944 455 E CB 0.590 30.236 29.700 -0.090 0.000 0.950 455 E HN -0.176 8.172 8.360 -0.021 0.000 0.444 456 Y N -4.725 115.624 120.300 0.081 0.000 2.659 456 Y HA 0.414 5.020 4.550 0.095 0.000 0.333 456 Y C -1.927 174.015 175.900 0.070 0.000 1.064 456 Y CA -2.601 55.556 58.100 0.096 0.000 1.141 456 Y CB 2.637 41.165 38.460 0.112 0.000 1.316 456 Y HN -0.029 7.951 8.280 -0.501 0.000 0.509 457 I N -1.090 119.669 120.570 0.315 0.000 2.433 457 I HA 0.406 4.711 4.170 -0.035 -0.157 0.292 457 I C -1.039 175.143 176.117 0.110 0.000 1.001 457 I CA -1.283 60.073 61.300 0.093 0.000 1.119 457 I CB 2.773 40.787 38.000 0.022 0.000 1.289 457 I HN 0.114 8.564 8.210 0.400 0.000 0.438 458 I N 6.093 126.530 120.570 -0.220 0.000 2.359 458 I HA 0.493 4.779 4.170 -0.036 -0.138 0.294 458 I C -1.039 174.889 176.117 -0.315 0.000 0.987 458 I CA -2.657 58.461 61.300 -0.304 0.000 1.225 458 I CB 0.500 38.068 38.000 -0.720 0.000 1.366 458 I HN 0.512 8.451 8.210 -0.451 0.000 0.466 459 C N 6.735 126.012 119.300 -0.040 0.000 2.507 459 C HA 0.604 5.224 4.460 -0.056 -0.193 0.319 459 C C -0.858 174.140 174.990 0.014 0.000 1.208 459 C CA -1.868 57.147 59.018 -0.006 0.000 1.619 459 C CB 4.105 31.899 27.740 0.091 0.000 2.230 459 C HN 0.825 9.097 8.230 0.070 0.000 0.492 460 T N 6.163 120.724 114.554 0.012 0.000 2.770 460 T HA 0.289 4.726 4.350 -0.054 -0.119 0.283 460 T C -1.563 173.089 174.700 -0.080 0.000 0.988 460 T CA -0.211 61.877 62.100 -0.021 0.000 0.957 460 T CB 1.123 70.021 68.868 0.050 0.000 0.930 460 T HN 0.667 8.926 8.240 0.032 0.000 0.443 461 N N 8.177 126.726 118.700 -0.251 0.000 2.518 461 N HA 0.463 5.264 4.740 -0.120 -0.133 0.254 461 N C -1.451 173.945 175.510 -0.189 0.000 0.979 461 N CA -0.648 52.229 53.050 -0.288 0.000 0.930 461 N CB 2.557 40.611 38.487 -0.722 0.000 1.152 461 N HN 0.522 8.691 8.380 -0.351 0.000 0.505 462 T N 5.874 120.392 114.554 -0.060 0.000 2.807 462 T HA 0.347 4.860 4.350 0.002 -0.161 0.279 462 T C -1.612 173.094 174.700 0.011 0.000 0.993 462 T CA -0.685 61.411 62.100 -0.007 0.000 0.970 462 T CB 2.291 71.167 68.868 0.013 0.000 0.950 462 T HN 0.568 8.788 8.240 -0.034 0.000 0.441 463 N N 7.551 126.269 118.700 0.029 0.000 2.442 463 N HA 0.242 5.211 4.740 0.053 -0.197 0.265 463 N C -0.634 174.914 175.510 0.063 0.000 1.138 463 N CA 0.455 53.535 53.050 0.050 0.000 0.956 463 N CB 1.031 39.546 38.487 0.046 0.000 1.067 463 N HN -0.084 8.317 8.380 0.036 0.000 0.474 464 V N 0.932 120.901 119.914 0.091 0.000 3.126 464 V HA 0.468 4.615 4.120 0.045 0.000 0.314 464 V C -1.502 174.638 176.094 0.076 0.000 1.138 464 V CA -2.654 59.684 62.300 0.064 0.000 1.034 464 V CB 2.961 34.805 31.823 0.034 0.000 1.075 464 V HN -0.006 8.262 8.190 0.129 0.000 0.442 465 K N 0.283 120.687 120.400 0.006 0.000 2.174 465 K HA 0.062 4.393 4.320 0.018 0.000 0.275 465 K C -1.013 175.465 176.600 -0.204 0.000 1.015 465 K CA -0.579 55.685 56.287 -0.038 0.000 0.933 465 K CB 0.644 33.124 32.500 -0.034 0.000 1.025 465 K HN -0.014 8.231 8.250 -0.007 0.000 0.463 466 N N 2.480 120.975 118.700 -0.343 0.000 2.817 466 N HA 0.086 4.495 4.740 -0.552 0.000 0.234 466 N C -1.455 173.896 175.510 -0.265 0.000 1.066 466 N CA -0.387 52.320 53.050 -0.572 0.000 0.926 466 N CB -0.040 37.699 38.487 -1.247 0.000 1.176 466 N HN 0.218 8.459 8.380 -0.230 0.000 0.506 467 S N 0.000 115.591 115.700 -0.181 0.000 2.498 467 S HA 0.000 4.420 4.470 -0.083 0.000 0.327 467 S CA 0.000 58.141 58.200 -0.098 0.000 1.107 467 S CB 0.000 63.165 63.200 -0.058 0.000 0.593 467 S HN 0.000 8.197 8.310 -0.189 0.000 0.517