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 3bwl_1_D DATA FIRST_RESID 388 DATA SEQUENCE RKRREKRLEE TSSRLEALFE NSPDXIDVLD ADGTICEVNQ RFCAELGYDE DATA SEQUENCE SEVLGRSIWE FDLXFDAEDV QTQLSGFSVD ERRKFEGLYE RRDGSTXSVE DATA SEQUENCE VHLLRFNLEG EDRFLAISRD I 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 388 R HA 0.000 nan 4.340 nan 0.000 0.208 388 R C 0.000 176.297 176.300 -0.005 0.000 0.893 388 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 388 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 389 K N 0.774 121.172 120.400 -0.004 0.000 2.057 389 K HA 0.090 4.404 4.320 -0.010 0.000 0.206 389 K C 2.017 178.615 176.600 -0.004 0.000 1.050 389 K CA 1.352 57.637 56.287 -0.004 0.000 0.935 389 K CB 0.006 32.504 32.500 -0.003 0.000 0.715 389 K HN -0.006 nan 8.250 nan 0.000 0.439 390 R N 0.375 120.873 120.500 -0.004 0.000 2.115 390 R HA -0.049 4.285 4.340 -0.010 0.000 0.230 390 R C 2.134 178.432 176.300 -0.004 0.000 1.111 390 R CA 1.176 57.275 56.100 -0.003 0.000 0.976 390 R CB -0.185 30.113 30.300 -0.003 0.000 0.870 390 R HN 0.061 nan 8.270 nan 0.000 0.445 391 R N 1.378 121.875 120.500 -0.005 0.000 2.073 391 R HA -0.054 4.280 4.340 -0.010 0.000 0.229 391 R C 1.771 178.068 176.300 -0.006 0.000 1.120 391 R CA 1.797 57.894 56.100 -0.005 0.000 0.967 391 R CB -0.341 29.955 30.300 -0.006 0.000 0.862 391 R HN 0.273 nan 8.270 nan 0.000 0.436 392 E N -0.038 120.158 120.200 -0.006 0.000 2.153 392 E HA -0.174 4.170 4.350 -0.010 0.000 0.194 392 E C 1.859 178.456 176.600 -0.006 0.000 0.988 392 E CA 1.284 57.680 56.400 -0.007 0.000 0.811 392 E CB 0.004 29.700 29.700 -0.007 0.000 0.746 392 E HN 0.289 nan 8.360 nan 0.000 0.466 393 K N 0.444 120.841 120.400 -0.005 0.000 2.001 393 K HA -0.082 4.232 4.320 -0.010 0.000 0.208 393 K C 2.281 178.879 176.600 -0.003 0.000 1.048 393 K CA 0.643 56.927 56.287 -0.004 0.000 0.932 393 K CB 0.017 32.516 32.500 -0.003 0.000 0.715 393 K HN -0.076 nan 8.250 nan 0.000 0.437 394 R N 1.165 121.663 120.500 -0.004 0.000 2.094 394 R HA -0.150 4.184 4.340 -0.010 0.000 0.239 394 R C 2.224 178.521 176.300 -0.004 0.000 1.137 394 R CA 1.567 57.665 56.100 -0.003 0.000 0.943 394 R CB -0.681 29.617 30.300 -0.004 0.000 0.850 394 R HN 0.225 nan 8.270 nan 0.000 0.433 395 L N 0.289 121.508 121.223 -0.006 0.000 2.131 395 L HA -0.171 4.163 4.340 -0.010 0.000 0.210 395 L C 2.451 179.316 176.870 -0.008 0.000 1.092 395 L CA 1.290 56.124 54.840 -0.008 0.000 0.759 395 L CB -0.377 41.676 42.059 -0.010 0.000 0.903 395 L HN 0.158 nan 8.230 nan 0.000 0.435 396 E N 0.498 120.694 120.200 -0.007 0.000 2.106 396 E HA -0.191 4.153 4.350 -0.010 0.000 0.192 396 E C 2.012 178.610 176.600 -0.003 0.000 0.984 396 E CA 1.160 57.557 56.400 -0.006 0.000 0.806 396 E CB 0.081 29.778 29.700 -0.005 0.000 0.750 396 E HN 0.418 nan 8.360 nan 0.000 0.458 397 E N -0.826 119.373 120.200 -0.002 0.000 2.077 397 E HA -0.142 4.202 4.350 -0.010 0.000 0.193 397 E C 1.971 178.572 176.600 0.001 0.000 0.989 397 E CA 1.690 58.091 56.400 0.000 0.000 0.800 397 E CB -0.100 29.600 29.700 0.001 0.000 0.746 397 E HN 0.257 nan 8.360 nan 0.000 0.452 398 T N 0.470 115.024 114.554 -0.001 0.000 2.777 398 T HA -0.093 4.251 4.350 -0.010 0.000 0.266 398 T C 2.172 176.871 174.700 -0.002 0.000 1.040 398 T CA 1.180 63.280 62.100 -0.001 0.000 1.141 398 T CB -0.174 68.692 68.868 -0.003 0.000 0.868 398 T HN 0.012 nan 8.240 nan 0.000 0.444 399 S N 1.314 117.011 115.700 -0.006 0.000 2.368 399 S HA -0.113 4.351 4.470 -0.010 0.000 0.225 399 S C 2.388 176.988 174.600 -0.001 0.000 1.030 399 S CA 1.183 59.377 58.200 -0.011 0.000 0.999 399 S CB -0.506 62.684 63.200 -0.017 0.000 0.844 399 S HN 0.511 nan 8.310 nan 0.000 0.459 400 S N 1.361 117.063 115.700 0.004 0.000 2.356 400 S HA -0.144 4.320 4.470 -0.010 0.000 0.223 400 S C 2.019 176.631 174.600 0.019 0.000 1.032 400 S CA 1.317 59.524 58.200 0.011 0.000 1.005 400 S CB -0.283 62.922 63.200 0.009 0.000 0.867 400 S HN 0.500 nan 8.310 nan 0.000 0.449 401 R N 0.183 120.693 120.500 0.016 0.000 2.083 401 R HA -0.023 4.311 4.340 -0.010 0.000 0.237 401 R C 2.361 178.681 176.300 0.032 0.000 1.137 401 R CA 1.745 57.858 56.100 0.021 0.000 0.951 401 R CB -0.466 29.843 30.300 0.015 0.000 0.851 401 R HN 0.458 nan 8.270 nan 0.000 0.434 402 L N 0.418 121.658 121.223 0.027 0.000 2.141 402 L HA -0.124 4.210 4.340 -0.010 0.000 0.209 402 L C 2.613 179.525 176.870 0.069 0.000 1.094 402 L CA 1.429 56.291 54.840 0.037 0.000 0.763 402 L CB -0.412 41.654 42.059 0.010 0.000 0.908 402 L HN 0.396 nan 8.230 nan 0.000 0.437 403 E N 0.376 120.610 120.200 0.055 0.000 2.051 403 E HA -0.252 4.092 4.350 -0.010 0.000 0.192 403 E C 2.236 178.920 176.600 0.141 0.000 0.991 403 E CA 1.252 57.710 56.400 0.096 0.000 0.799 403 E CB -0.005 29.728 29.700 0.054 0.000 0.748 403 E HN 0.452 nan 8.360 nan 0.000 0.449 404 A N 0.922 123.793 122.820 0.085 0.000 1.902 404 A HA -0.154 4.160 4.320 -0.010 0.000 0.217 404 A C 2.200 179.826 177.584 0.069 0.000 1.181 404 A CA 1.191 53.268 52.037 0.066 0.000 0.623 404 A CB -0.686 18.337 19.000 0.039 0.000 0.818 404 A HN 0.309 nan 8.150 nan 0.000 0.443 405 L N -2.101 119.170 121.223 0.080 0.000 2.046 405 L HA -0.174 4.161 4.340 -0.010 0.000 0.208 405 L C 2.474 179.406 176.870 0.103 0.000 1.077 405 L CA 1.659 56.543 54.840 0.074 0.000 0.747 405 L CB -0.557 41.544 42.059 0.071 0.000 0.896 405 L HN 0.511 nan 8.230 nan 0.000 0.432 406 F N 1.005 120.951 119.950 -0.005 0.000 2.084 406 F HA -0.186 4.341 4.527 0.000 0.000 0.296 406 F C 2.606 178.404 175.800 -0.004 0.000 1.111 406 F CA 1.595 59.590 58.000 -0.007 0.000 1.224 406 F CB -0.106 38.889 39.000 -0.009 0.000 0.991 406 F HN -0.008 nan 8.300 nan 0.000 0.471 407 E N 0.105 120.304 120.200 -0.002 0.000 2.150 407 E HA -0.147 4.197 4.350 -0.010 0.000 0.193 407 E C 1.586 178.109 176.600 -0.129 0.000 0.985 407 E CA 0.965 57.298 56.400 -0.111 0.000 0.814 407 E CB -0.563 29.164 29.700 0.045 0.000 0.752 407 E HN 0.538 nan 8.360 nan 0.000 0.466 408 N N 1.297 119.956 118.700 -0.068 0.000 2.336 408 N HA -0.026 4.708 4.740 -0.010 0.000 0.189 408 N C 0.106 175.577 175.510 -0.065 0.000 1.113 408 N CA 0.081 53.100 53.050 -0.053 0.000 0.858 408 N CB 0.351 38.826 38.487 -0.019 0.000 0.970 408 N HN 0.009 nan 8.380 nan 0.000 0.471 409 S N 1.939 117.582 115.700 -0.095 0.000 2.573 409 S HA 0.016 4.480 4.470 -0.010 0.000 0.297 409 S C -1.377 173.182 174.600 -0.069 0.000 1.280 409 S CA -0.784 57.369 58.200 -0.078 0.000 1.061 409 S CB 0.986 64.122 63.200 -0.108 0.000 0.812 409 S HN 0.099 nan 8.310 nan 0.000 0.500 410 P HA 0.023 nan 4.420 nan 0.000 0.225 410 P C -0.018 177.260 177.300 -0.036 0.000 1.148 410 P CA 0.977 64.056 63.100 -0.035 0.000 0.779 410 P CB 0.026 31.713 31.700 -0.022 0.000 0.780 414 D N 4.787 125.170 120.400 -0.028 0.000 2.581 414 D HA 0.750 5.384 4.640 -0.010 0.000 0.232 414 D C -1.441 174.855 176.300 -0.006 0.000 1.143 414 D CA -0.717 53.191 54.000 -0.153 0.000 0.881 414 D CB 2.575 43.101 40.800 -0.457 0.000 1.500 414 D HN 0.146 nan 8.370 nan 0.000 0.458 415 V N 1.070 120.981 119.914 -0.006 0.000 2.495 415 V HA 0.482 4.596 4.120 -0.010 0.000 0.298 415 V C -0.330 175.784 176.094 0.033 0.000 1.031 415 V CA -0.701 61.642 62.300 0.072 0.000 0.871 415 V CB 1.238 33.113 31.823 0.086 0.000 0.988 415 V HN 0.533 nan 8.190 nan 0.000 0.432 416 L N 3.581 124.871 121.223 0.111 0.000 2.333 416 L HA 0.677 5.011 4.340 -0.010 0.000 0.269 416 L C -0.364 176.615 176.870 0.181 0.000 1.010 416 L CA -0.880 54.015 54.840 0.091 0.000 0.818 416 L CB 2.127 44.212 42.059 0.043 0.000 1.306 416 L HN 0.750 nan 8.230 nan 0.000 0.430 417 D N 0.702 121.172 120.400 0.116 0.000 2.466 417 D HA 0.308 4.942 4.640 -0.010 0.000 0.262 417 D C 0.762 177.191 176.300 0.215 0.000 1.177 417 D CA -0.396 53.692 54.000 0.147 0.000 1.035 417 D CB 1.161 41.998 40.800 0.063 0.000 1.105 417 D HN 0.518 nan 8.370 nan 0.000 0.551 418 A N -0.441 122.515 122.820 0.226 0.000 2.121 418 A HA -0.116 4.198 4.320 -0.010 0.000 0.218 418 A C 1.302 178.967 177.584 0.135 0.000 1.154 418 A CA 1.052 53.242 52.037 0.255 0.000 0.679 418 A CB -0.531 18.596 19.000 0.211 0.000 0.795 418 A HN 0.549 nan 8.150 nan 0.000 0.458 419 D N -0.940 119.530 120.400 0.117 0.000 2.340 419 D HA 0.199 4.833 4.640 -0.010 0.000 0.220 419 D C 1.345 177.760 176.300 0.191 0.000 1.039 419 D CA 0.997 55.081 54.000 0.139 0.000 0.866 419 D CB 0.070 40.941 40.800 0.119 0.000 0.913 419 D HN 0.565 nan 8.370 nan 0.000 0.523 420 G N 1.293 110.154 108.800 0.101 0.000 2.143 420 G HA2 -0.266 3.688 3.960 -0.010 0.000 0.248 420 G HA3 -0.266 3.688 3.960 -0.010 0.000 0.248 420 G C 0.468 175.314 174.900 -0.090 0.000 0.991 420 G CA 0.390 45.520 45.100 0.050 0.000 0.689 420 G HN 0.279 nan 8.290 nan 0.000 0.522 421 T N 0.962 115.479 114.554 -0.061 0.000 2.869 421 T HA 0.513 4.857 4.350 -0.010 0.000 0.295 421 T C 0.969 175.612 174.700 -0.096 0.000 0.987 421 T CA -0.112 61.923 62.100 -0.107 0.000 1.109 421 T CB 1.361 70.195 68.868 -0.055 0.000 0.932 421 T HN 0.298 nan 8.240 nan 0.000 0.518 422 I N 2.691 123.178 120.570 -0.137 0.000 2.436 422 I HA 0.082 4.246 4.170 -0.010 0.000 0.289 422 I C 0.972 177.016 176.117 -0.123 0.000 1.083 422 I CA -0.350 60.853 61.300 -0.161 0.000 1.372 422 I CB 0.475 38.318 38.000 -0.263 0.000 1.408 422 I HN 0.834 nan 8.210 nan 0.000 0.516 423 C N 4.122 123.368 119.300 -0.090 0.000 2.551 423 C HA 0.174 4.628 4.460 -0.010 0.000 0.277 423 C C 0.920 175.867 174.990 -0.072 0.000 1.349 423 C CA 0.245 59.224 59.018 -0.066 0.000 1.750 423 C CB -0.808 26.909 27.740 -0.039 0.000 2.058 423 C HN 0.801 nan 8.230 nan 0.000 0.518 424 E N -1.056 119.097 120.200 -0.078 0.000 2.375 424 E HA 0.642 4.986 4.350 -0.010 0.000 0.280 424 E C -1.746 174.821 176.600 -0.055 0.000 0.972 424 E CA -0.209 56.167 56.400 -0.040 0.000 0.782 424 E CB 1.621 31.308 29.700 -0.022 0.000 1.229 424 E HN -0.121 nan 8.360 nan 0.000 0.439 425 V N 3.803 123.712 119.914 -0.008 0.000 2.932 425 V HA 0.559 4.673 4.120 -0.010 0.000 0.307 425 V C -1.302 174.786 176.094 -0.010 0.000 1.147 425 V CA -0.689 61.515 62.300 -0.159 0.000 0.951 425 V CB 2.001 33.551 31.823 -0.454 0.000 1.031 425 V HN 0.871 nan 8.190 nan 0.000 0.426 426 N N 4.188 122.746 118.700 -0.235 0.000 2.434 426 N HA 0.187 4.921 4.740 -0.010 0.000 0.266 426 N C 0.684 176.104 175.510 -0.150 0.000 1.223 426 N CA 0.034 52.831 53.050 -0.423 0.000 0.972 426 N CB 0.870 38.698 38.487 -1.097 0.000 1.207 426 N HN 0.801 nan 8.380 nan 0.000 0.525 427 Q N -0.347 119.381 119.800 -0.120 0.000 2.135 427 Q HA -0.225 4.109 4.340 -0.010 0.000 0.204 427 Q C 1.709 177.687 176.000 -0.037 0.000 0.981 427 Q CA 1.565 57.342 55.803 -0.045 0.000 0.856 427 Q CB 0.020 28.736 28.738 -0.036 0.000 0.902 427 Q HN 0.627 nan 8.270 nan 0.000 0.425 428 R N -0.178 120.274 120.500 -0.079 0.000 2.081 428 R HA -0.152 4.182 4.340 -0.010 0.000 0.235 428 R C 1.874 178.156 176.300 -0.031 0.000 1.131 428 R CA 1.768 57.830 56.100 -0.062 0.000 0.960 428 R CB -0.872 29.375 30.300 -0.089 0.000 0.856 428 R HN 0.406 nan 8.270 nan 0.000 0.436 429 F N -0.070 119.773 119.950 -0.178 0.000 2.065 429 F HA -0.328 4.190 4.527 -0.016 0.000 0.298 429 F C 2.147 177.847 175.800 -0.166 0.000 1.112 429 F CA 1.990 59.868 58.000 -0.204 0.000 1.212 429 F CB -0.450 38.398 39.000 -0.254 0.000 0.975 429 F HN 0.101 nan 8.300 nan 0.000 0.476 430 C N 0.309 119.732 119.300 0.205 0.000 2.429 430 C HA -0.103 4.351 4.460 -0.010 0.000 0.277 430 C C 3.131 178.149 174.990 0.046 0.000 1.262 430 C CA 1.080 60.191 59.018 0.155 0.000 1.733 430 C CB -1.831 25.975 27.740 0.110 0.000 2.010 430 C HN 0.646 nan 8.230 nan 0.000 0.483 431 A N 0.452 123.272 122.820 -0.000 0.000 1.898 431 A HA -0.135 4.179 4.320 -0.010 0.000 0.216 431 A C 2.128 179.674 177.584 -0.064 0.000 1.181 431 A CA 1.361 53.380 52.037 -0.029 0.000 0.620 431 A CB -0.462 18.521 19.000 -0.029 0.000 0.819 431 A HN 0.605 nan 8.150 nan 0.000 0.442 432 E N -0.002 120.139 120.200 -0.098 0.000 2.110 432 E HA -0.117 4.227 4.350 -0.010 0.000 0.193 432 E C 1.732 178.249 176.600 -0.139 0.000 0.988 432 E CA 0.988 57.314 56.400 -0.123 0.000 0.804 432 E CB -0.222 29.380 29.700 -0.163 0.000 0.745 432 E HN 0.663 nan 8.360 nan 0.000 0.458 433 L N -0.785 120.339 121.223 -0.165 0.000 2.585 433 L HA 0.179 4.513 4.340 -0.010 0.000 0.226 433 L C 1.304 178.043 176.870 -0.219 0.000 1.113 433 L CA 0.409 55.171 54.840 -0.130 0.000 0.876 433 L CB 0.065 42.089 42.059 -0.058 0.000 1.072 433 L HN 0.188 nan 8.230 nan 0.000 0.468 434 G N -0.243 108.460 108.800 -0.163 0.000 2.143 434 G HA2 -0.312 3.642 3.960 -0.010 0.000 0.248 434 G HA3 -0.312 3.642 3.960 -0.010 0.000 0.248 434 G C -0.181 174.572 174.900 -0.246 0.000 0.991 434 G CA -0.088 44.888 45.100 -0.207 0.000 0.689 434 G HN 0.291 nan 8.290 nan 0.000 0.522 435 Y N 0.014 120.327 120.300 0.021 0.000 2.419 435 Y HA 0.556 5.099 4.550 -0.013 0.000 0.328 435 Y C 0.681 176.601 175.900 0.033 0.000 1.162 435 Y CA -0.793 57.339 58.100 0.053 0.000 1.174 435 Y CB 1.062 39.584 38.460 0.103 0.000 1.228 435 Y HN 0.183 nan 8.280 nan 0.000 0.473 436 D N 0.644 121.170 120.400 0.210 0.000 2.339 436 D HA 0.059 4.693 4.640 -0.010 0.000 0.245 436 D C 0.843 177.207 176.300 0.107 0.000 1.115 436 D CA 0.084 54.158 54.000 0.122 0.000 0.917 436 D CB 0.916 41.769 40.800 0.089 0.000 1.192 436 D HN 0.667 nan 8.370 nan 0.000 0.428 437 E N 0.369 120.602 120.200 0.055 0.000 2.147 437 E HA -0.254 4.090 4.350 -0.010 0.000 0.199 437 E C 1.758 178.358 176.600 0.001 0.000 1.005 437 E CA 1.533 57.940 56.400 0.011 0.000 0.810 437 E CB -0.044 29.658 29.700 0.004 0.000 0.736 437 E HN 0.574 nan 8.360 nan 0.000 0.460 438 S N 0.257 115.971 115.700 0.024 0.000 2.507 438 S HA -0.117 4.348 4.470 -0.010 0.000 0.235 438 S C 1.408 176.027 174.600 0.031 0.000 0.988 438 S CA 0.795 59.007 58.200 0.019 0.000 0.944 438 S CB -0.049 63.165 63.200 0.024 0.000 0.762 438 S HN 0.247 nan 8.310 nan 0.000 0.526 439 E N 0.113 120.350 120.200 0.061 0.000 2.479 439 E HA 0.174 4.518 4.350 -0.010 0.000 0.193 439 E C 1.004 177.637 176.600 0.055 0.000 1.049 439 E CA 0.164 56.616 56.400 0.087 0.000 0.870 439 E CB 0.494 30.317 29.700 0.205 0.000 0.944 439 E HN 0.464 nan 8.360 nan 0.000 0.492 440 V N 0.340 120.238 119.914 -0.028 0.000 3.029 440 V HA 0.064 4.178 4.120 -0.010 0.000 0.230 440 V C 0.821 176.813 176.094 -0.170 0.000 1.254 440 V CA -0.052 62.142 62.300 -0.177 0.000 1.276 440 V CB 0.239 31.837 31.823 -0.375 0.000 1.080 440 V HN 0.127 nan 8.190 nan 0.000 0.495 441 L N 1.865 123.003 121.223 -0.143 0.000 2.540 441 L HA 0.359 4.693 4.340 -0.010 0.000 0.276 441 L C 1.523 178.344 176.870 -0.082 0.000 1.212 441 L CA 1.418 56.185 54.840 -0.122 0.000 0.893 441 L CB -0.144 41.865 42.059 -0.084 0.000 1.138 441 L HN 0.574 nan 8.230 nan 0.000 0.491 442 G N 1.798 110.546 108.800 -0.087 0.000 2.253 442 G HA2 -0.223 3.731 3.960 -0.010 0.000 0.251 442 G HA3 -0.223 3.731 3.960 -0.010 0.000 0.251 442 G C 0.593 175.445 174.900 -0.079 0.000 0.998 442 G CA -0.352 44.707 45.100 -0.068 0.000 0.621 442 G HN 0.481 nan 8.290 nan 0.000 0.524 443 R N 0.808 121.263 120.500 -0.074 0.000 2.649 443 R HA 0.608 4.943 4.340 -0.010 0.000 0.270 443 R C 0.326 176.509 176.300 -0.195 0.000 1.105 443 R CA -0.012 56.037 56.100 -0.085 0.000 1.193 443 R CB 0.352 30.692 30.300 0.068 0.000 1.120 443 R HN 0.256 nan 8.270 nan 0.000 0.561 444 S N 0.862 116.312 115.700 -0.416 0.000 2.554 444 S HA 0.147 4.611 4.470 -0.010 0.000 0.278 444 S C 1.400 175.628 174.600 -0.620 0.000 1.242 444 S CA -0.614 57.083 58.200 -0.839 0.000 1.051 444 S CB 1.242 63.295 63.200 -1.911 0.000 0.986 444 S HN 0.533 nan 8.310 nan 0.000 0.502 445 I N 2.304 122.634 120.570 -0.401 0.000 2.361 445 I HA -0.116 4.048 4.170 -0.010 0.000 0.251 445 I C 1.706 177.902 176.117 0.132 0.000 1.133 445 I CA 1.106 62.405 61.300 -0.001 0.000 1.413 445 I CB -0.271 37.749 38.000 0.034 0.000 1.073 445 I HN 0.929 nan 8.210 nan 0.000 0.424 446 W N 0.593 121.975 121.300 0.136 0.000 2.468 446 W HA -0.048 4.607 4.660 -0.008 0.000 0.262 446 W C 1.687 178.259 176.519 0.089 0.000 1.241 446 W CA 0.781 58.208 57.345 0.137 0.000 1.232 446 W CB -1.446 28.077 29.460 0.106 0.000 1.124 446 W HN 0.133 nan 8.180 nan 0.000 0.597 447 E N -0.252 119.823 120.200 -0.208 0.000 2.347 447 E HA -0.092 4.253 4.350 -0.010 0.000 0.196 447 E C 1.134 177.457 176.600 -0.461 0.000 1.008 447 E CA 0.911 57.103 56.400 -0.347 0.000 0.852 447 E CB -0.333 28.971 29.700 -0.660 0.000 0.783 447 E HN 0.423 nan 8.360 nan 0.000 0.505 448 F N -0.039 119.970 119.950 0.099 0.000 2.680 448 F HA 0.148 4.672 4.527 -0.005 0.000 0.290 448 F C 0.873 176.899 175.800 0.376 0.000 1.114 448 F CA -0.241 57.878 58.000 0.198 0.000 1.333 448 F CB 0.749 39.845 39.000 0.160 0.000 1.091 448 F HN -0.208 nan 8.300 nan 0.000 0.606 449 D N 1.569 122.274 120.400 0.509 0.000 2.373 449 D HA 0.280 4.914 4.640 -0.010 0.000 0.227 449 D C 0.045 176.553 176.300 0.347 0.000 1.091 449 D CA 0.059 54.307 54.000 0.414 0.000 0.840 449 D CB 0.760 41.773 40.800 0.355 0.000 1.060 449 D HN -0.010 nan 8.370 nan 0.000 0.502 453 D N 1.955 122.440 120.400 0.141 0.000 2.506 453 D HA 0.579 5.214 4.640 -0.010 0.000 0.272 453 D C 1.088 177.287 176.300 -0.168 0.000 1.214 453 D CA -0.102 53.907 54.000 0.014 0.000 1.067 453 D CB 0.659 41.416 40.800 -0.072 0.000 1.117 453 D HN 0.502 nan 8.370 nan 0.000 0.578 454 A N -0.528 121.877 122.820 -0.691 0.000 1.908 454 A HA -0.246 4.068 4.320 -0.010 0.000 0.218 454 A C 2.008 179.225 177.584 -0.612 0.000 1.181 454 A CA 2.093 53.313 52.037 -1.362 0.000 0.627 454 A CB -1.091 16.867 19.000 -1.736 0.000 0.818 454 A HN 0.790 nan 8.150 nan 0.000 0.445 455 E N -0.288 119.694 120.200 -0.364 0.000 2.077 455 E HA -0.242 4.102 4.350 -0.010 0.000 0.193 455 E C 1.254 177.795 176.600 -0.099 0.000 0.989 455 E CA 1.382 57.663 56.400 -0.199 0.000 0.800 455 E CB -0.160 29.451 29.700 -0.147 0.000 0.746 455 E HN 0.550 nan 8.360 nan 0.000 0.452 456 D N 0.123 120.495 120.400 -0.047 0.000 2.117 456 D HA -0.142 4.492 4.640 -0.010 0.000 0.197 456 D C 2.094 178.515 176.300 0.201 0.000 0.987 456 D CA 1.017 55.055 54.000 0.063 0.000 0.829 456 D CB -0.192 40.637 40.800 0.048 0.000 0.961 456 D HN 0.126 nan 8.370 nan 0.000 0.460 457 V N 0.985 121.020 119.914 0.201 0.000 2.295 457 V HA -0.249 3.865 4.120 -0.010 0.000 0.246 457 V C 2.634 178.747 176.094 0.032 0.000 1.049 457 V CA 1.674 64.059 62.300 0.143 0.000 1.024 457 V CB -0.585 31.411 31.823 0.289 0.000 0.648 457 V HN 0.222 nan 8.190 nan 0.000 0.447 458 Q N -0.203 119.592 119.800 -0.009 0.000 2.077 458 Q HA -0.254 4.080 4.340 -0.010 0.000 0.206 458 Q C 2.263 178.267 176.000 0.008 0.000 0.989 458 Q CA 2.531 58.326 55.803 -0.014 0.000 0.853 458 Q CB -0.262 28.444 28.738 -0.054 0.000 0.907 458 Q HN 0.651 nan 8.270 nan 0.000 0.418 459 T N 0.597 115.158 114.554 0.013 0.000 2.746 459 T HA -0.214 4.130 4.350 -0.010 0.000 0.267 459 T C 1.652 176.391 174.700 0.065 0.000 1.039 459 T CA 1.586 63.705 62.100 0.031 0.000 1.142 459 T CB -0.246 68.631 68.868 0.015 0.000 0.866 459 T HN 0.307 nan 8.240 nan 0.000 0.444 460 Q N 0.829 120.668 119.800 0.066 0.000 2.020 460 Q HA 0.015 4.350 4.340 -0.010 0.000 0.202 460 Q C 2.168 178.250 176.000 0.137 0.000 0.982 460 Q CA 1.551 57.407 55.803 0.088 0.000 0.838 460 Q CB -0.627 28.106 28.738 -0.008 0.000 0.899 460 Q HN 0.500 nan 8.270 nan 0.000 0.423 461 L N -0.472 120.706 121.223 -0.075 0.000 2.046 461 L HA -0.132 4.202 4.340 -0.010 0.000 0.208 461 L C 2.542 179.530 176.870 0.197 0.000 1.077 461 L CA 1.394 56.091 54.840 -0.238 0.000 0.747 461 L CB -0.703 41.037 42.059 -0.531 0.000 0.896 461 L HN 0.244 nan 8.230 nan 0.000 0.432 462 S N -0.021 115.772 115.700 0.155 0.000 2.423 462 S HA -0.090 4.374 4.470 -0.010 0.000 0.231 462 S C 1.839 176.570 174.600 0.220 0.000 1.014 462 S CA 1.137 59.447 58.200 0.184 0.000 0.965 462 S CB -0.255 63.010 63.200 0.108 0.000 0.785 462 S HN 0.536 nan 8.310 nan 0.000 0.495 463 G N -0.435 108.507 108.800 0.237 0.000 2.744 463 G HA2 0.124 4.078 3.960 -0.010 0.000 0.211 463 G HA3 0.124 4.078 3.960 -0.010 0.000 0.211 463 G C 0.155 175.194 174.900 0.231 0.000 1.143 463 G CA -0.244 44.971 45.100 0.192 0.000 0.788 463 G HN 0.400 nan 8.290 nan 0.000 0.534 464 F N 1.656 121.717 119.950 0.186 0.000 2.443 464 F HA 0.402 4.923 4.527 -0.010 0.000 0.353 464 F C 0.999 176.887 175.800 0.146 0.000 1.101 464 F CA -0.401 57.726 58.000 0.210 0.000 1.226 464 F CB 1.361 40.594 39.000 0.388 0.000 1.140 464 F HN -0.172 nan 8.300 nan 0.000 0.557 465 S N 1.811 117.639 115.700 0.213 0.000 2.603 465 S HA 0.310 4.774 4.470 -0.010 0.000 0.268 465 S C -0.390 174.310 174.600 0.167 0.000 1.317 465 S CA -0.932 57.356 58.200 0.147 0.000 1.012 465 S CB 1.135 64.381 63.200 0.076 0.000 0.926 465 S HN 0.308 nan 8.310 nan 0.000 0.539 466 V N 3.389 123.360 119.914 0.096 0.000 2.557 466 V HA 0.030 4.144 4.120 -0.010 0.000 0.301 466 V C 0.524 176.672 176.094 0.090 0.000 1.026 466 V CA 0.772 63.111 62.300 0.065 0.000 1.137 466 V CB -0.193 31.645 31.823 0.024 0.000 0.917 466 V HN 1.016 nan 8.190 nan 0.000 0.484 467 D N 1.057 121.525 120.400 0.113 0.000 2.911 467 D HA -0.168 4.466 4.640 -0.010 0.000 0.199 467 D C 0.624 177.001 176.300 0.129 0.000 1.041 467 D CA 1.496 55.563 54.000 0.112 0.000 1.013 467 D CB -0.727 40.121 40.800 0.079 0.000 1.093 467 D HN 0.903 nan 8.370 nan 0.000 0.431 468 E N 0.724 121.033 120.200 0.181 0.000 2.392 468 E HA 0.239 4.583 4.350 -0.010 0.000 0.264 468 E C -0.003 176.787 176.600 0.317 0.000 1.024 468 E CA 0.080 56.589 56.400 0.180 0.000 0.903 468 E CB 0.660 30.414 29.700 0.091 0.000 0.963 468 E HN 0.112 nan 8.360 nan 0.000 0.432 469 R N 3.303 123.945 120.500 0.237 0.000 2.711 469 R HA 0.575 4.909 4.340 -0.010 0.000 0.284 469 R C -0.421 176.077 176.300 0.330 0.000 0.968 469 R CA -0.780 55.533 56.100 0.354 0.000 0.924 469 R CB 1.912 32.376 30.300 0.274 0.000 1.162 469 R HN 0.509 nan 8.270 nan 0.000 0.465 470 R N 1.157 121.967 120.500 0.516 0.000 2.707 470 R HA 0.386 4.720 4.340 -0.010 0.000 0.272 470 R C -1.081 175.484 176.300 0.441 0.000 1.011 470 R CA -1.015 55.319 56.100 0.389 0.000 0.893 470 R CB 2.686 33.197 30.300 0.353 0.000 1.233 470 R HN 0.352 nan 8.270 nan 0.000 0.464 471 K N 2.025 122.558 120.400 0.222 0.000 2.207 471 K HA 0.564 4.878 4.320 -0.010 0.000 0.255 471 K C -1.119 175.602 176.600 0.203 0.000 0.941 471 K CA -0.547 55.770 56.287 0.050 0.000 0.825 471 K CB 1.488 33.903 32.500 -0.142 0.000 1.119 471 K HN 0.411 nan 8.250 nan 0.000 0.430 472 F N -1.600 118.414 119.950 0.107 0.000 2.713 472 F HA 0.416 4.940 4.527 -0.006 0.000 0.311 472 F C -0.719 175.147 175.800 0.109 0.000 1.141 472 F CA -1.313 56.763 58.000 0.126 0.000 0.939 472 F CB 0.924 40.051 39.000 0.212 0.000 1.325 472 F HN 0.313 nan 8.300 nan 0.000 0.453 473 E N 0.407 120.799 120.200 0.320 0.000 2.343 473 E HA 0.593 4.937 4.350 -0.010 0.000 0.269 473 E C -0.157 176.645 176.600 0.336 0.000 1.047 473 E CA -0.306 56.206 56.400 0.188 0.000 0.874 473 E CB 1.523 31.305 29.700 0.136 0.000 1.033 473 E HN 0.953 nan 8.360 nan 0.000 0.409 474 G N 1.158 110.027 108.800 0.115 0.000 2.694 474 G HA2 0.561 4.515 3.960 -0.010 0.000 0.290 474 G HA3 0.561 4.515 3.960 -0.010 0.000 0.290 474 G C -1.838 173.021 174.900 -0.068 0.000 1.386 474 G CA -0.649 44.513 45.100 0.103 0.000 0.872 474 G HN 0.345 nan 8.290 nan 0.000 0.475 475 L N 0.633 121.822 121.223 -0.057 0.000 2.485 475 L HA 0.554 4.888 4.340 -0.010 0.000 0.260 475 L C -1.541 175.354 176.870 0.043 0.000 0.998 475 L CA -0.887 53.941 54.840 -0.019 0.000 0.883 475 L CB 0.605 42.697 42.059 0.055 0.000 1.196 475 L HN 0.454 nan 8.230 nan 0.000 0.443 476 Y N 1.897 122.264 120.300 0.112 0.000 2.336 476 Y HA 0.325 4.868 4.550 -0.011 0.000 0.331 476 Y C 0.716 176.694 175.900 0.129 0.000 1.211 476 Y CA -0.195 57.980 58.100 0.126 0.000 1.346 476 Y CB 0.751 39.232 38.460 0.035 0.000 1.271 476 Y HN 0.546 nan 8.280 nan 0.000 0.538 477 E N 4.137 124.574 120.200 0.396 0.000 2.134 477 E HA 0.306 4.650 4.350 -0.010 0.000 0.278 477 E C -0.607 176.183 176.600 0.318 0.000 0.959 477 E CA -0.721 55.844 56.400 0.276 0.000 0.783 477 E CB 0.636 30.474 29.700 0.230 0.000 1.095 477 E HN 0.617 nan 8.360 nan 0.000 0.399 478 R N 2.812 123.409 120.500 0.161 0.000 2.637 478 R HA 0.180 4.514 4.340 -0.010 0.000 0.269 478 R C 1.358 177.579 176.300 -0.131 0.000 1.089 478 R CA -0.390 55.720 56.100 0.016 0.000 1.177 478 R CB 0.579 30.842 30.300 -0.062 0.000 1.091 478 R HN 0.606 nan 8.270 nan 0.000 0.540 479 R N 1.072 121.178 120.500 -0.656 0.000 2.127 479 R HA -0.164 4.170 4.340 -0.010 0.000 0.238 479 R C 0.894 177.081 176.300 -0.190 0.000 1.134 479 R CA 2.188 57.934 56.100 -0.590 0.000 0.975 479 R CB -0.146 29.670 30.300 -0.806 0.000 0.865 479 R HN 0.670 nan 8.270 nan 0.000 0.447 480 D N -1.746 118.562 120.400 -0.152 0.000 2.349 480 D HA 0.038 4.673 4.640 -0.010 0.000 0.224 480 D C 1.086 177.368 176.300 -0.029 0.000 1.029 480 D CA 0.881 54.838 54.000 -0.073 0.000 0.879 480 D CB 0.240 41.000 40.800 -0.067 0.000 0.906 480 D HN 0.374 nan 8.370 nan 0.000 0.528 481 G N -0.060 108.735 108.800 -0.009 0.000 2.217 481 G HA2 -0.298 3.656 3.960 -0.010 0.000 0.246 481 G HA3 -0.298 3.656 3.960 -0.010 0.000 0.246 481 G C 0.516 175.434 174.900 0.031 0.000 0.990 481 G CA 0.444 45.558 45.100 0.024 0.000 0.627 481 G HN 0.837 nan 8.290 nan 0.000 0.522 482 S N 0.071 115.781 115.700 0.018 0.000 2.634 482 S HA 0.744 5.208 4.470 -0.010 0.000 0.261 482 S C 0.482 175.111 174.600 0.050 0.000 1.271 482 S CA 0.899 59.114 58.200 0.024 0.000 0.985 482 S CB 1.690 64.894 63.200 0.007 0.000 0.968 482 S HN 1.711 nan 8.310 nan 0.000 0.568 486 V N -0.195 119.674 119.914 -0.074 0.000 3.130 486 V HA 0.862 4.976 4.120 -0.010 0.000 0.310 486 V C -0.747 175.291 176.094 -0.093 0.000 1.158 486 V CA -0.917 61.335 62.300 -0.080 0.000 1.029 486 V CB 2.073 33.827 31.823 -0.115 0.000 1.057 486 V HN 0.929 nan 8.190 nan 0.000 0.436 487 E N 1.098 121.246 120.200 -0.087 0.000 2.145 487 E HA 0.636 4.980 4.350 -0.010 0.000 0.270 487 E C -1.491 175.000 176.600 -0.182 0.000 0.906 487 E CA -0.671 55.653 56.400 -0.126 0.000 0.761 487 E CB 2.047 31.694 29.700 -0.090 0.000 1.116 487 E HN 0.713 nan 8.360 nan 0.000 0.408 488 V N 4.547 124.232 119.914 -0.381 0.000 2.439 488 V HA 0.199 4.313 4.120 -0.010 0.000 0.282 488 V C -0.230 175.646 176.094 -0.363 0.000 1.039 488 V CA -0.529 61.510 62.300 -0.435 0.000 0.913 488 V CB 1.221 32.556 31.823 -0.814 0.000 0.983 488 V HN 0.702 nan 8.190 nan 0.000 0.460 489 H N 4.391 123.335 119.070 -0.211 0.000 2.551 489 H HA 0.608 5.156 4.556 -0.012 0.000 0.321 489 H C -1.195 174.129 175.328 -0.007 0.000 1.028 489 H CA -0.867 55.132 56.048 -0.082 0.000 1.215 489 H CB 1.423 31.166 29.762 -0.031 0.000 1.414 489 H HN 0.517 nan 8.280 nan 0.000 0.480 490 L N 6.183 127.583 121.223 0.295 0.000 2.346 490 L HA 0.407 4.741 4.340 -0.010 0.000 0.276 490 L C -1.782 175.263 176.870 0.292 0.000 1.006 490 L CA -0.811 54.177 54.840 0.246 0.000 0.817 490 L CB 1.550 43.835 42.059 0.376 0.000 1.272 490 L HN 0.604 nan 8.230 nan 0.000 0.421 491 L N 4.543 125.840 121.223 0.122 0.000 2.386 491 L HA 0.639 4.973 4.340 -0.010 0.000 0.271 491 L C -0.875 176.040 176.870 0.076 0.000 0.993 491 L CA -0.374 54.530 54.840 0.107 0.000 0.819 491 L CB 1.596 43.566 42.059 -0.147 0.000 1.294 491 L HN 0.743 nan 8.230 nan 0.000 0.414 492 R N 4.893 125.449 120.500 0.093 0.000 2.346 492 R HA 0.724 5.058 4.340 -0.010 0.000 0.311 492 R C -1.486 174.860 176.300 0.075 0.000 0.983 492 R CA -0.381 55.570 56.100 -0.249 0.000 0.880 492 R CB 0.788 30.881 30.300 -0.344 0.000 1.100 492 R HN 0.776 nan 8.270 nan 0.000 0.453 493 F N 0.648 120.416 119.950 -0.303 0.000 2.779 493 F HA 0.395 4.917 4.527 -0.008 0.000 0.316 493 F C -1.598 174.104 175.800 -0.164 0.000 1.164 493 F CA -1.451 56.449 58.000 -0.166 0.000 0.924 493 F CB 1.404 40.343 39.000 -0.102 0.000 1.348 493 F HN 0.283 nan 8.300 nan 0.000 0.467 494 N N 2.196 120.674 118.700 -0.369 0.000 2.426 494 N HA 0.342 5.077 4.740 -0.010 0.000 0.257 494 N C -1.965 173.139 175.510 -0.676 0.000 1.002 494 N CA -0.220 52.554 53.050 -0.460 0.000 0.942 494 N CB 1.583 39.947 38.487 -0.205 0.000 1.112 494 N HN 0.748 nan 8.380 nan 0.000 0.499 495 L N 3.879 124.642 121.223 -0.766 0.000 2.319 495 L HA 0.310 4.644 4.340 -0.010 0.000 0.281 495 L C 0.448 177.140 176.870 -0.296 0.000 1.005 495 L CA 0.165 54.648 54.840 -0.595 0.000 0.828 495 L CB 0.420 42.057 42.059 -0.702 0.000 1.227 495 L HN 0.683 nan 8.230 nan 0.000 0.415 496 E N 3.692 123.778 120.200 -0.190 0.000 2.805 496 E HA -0.283 4.061 4.350 -0.010 0.000 0.266 496 E C 1.014 177.542 176.600 -0.120 0.000 1.092 496 E CA 0.762 57.086 56.400 -0.126 0.000 0.781 496 E CB -1.541 28.093 29.700 -0.111 0.000 1.379 496 E HN 1.269 nan 8.360 nan 0.000 0.433 497 G N -0.783 107.931 108.800 -0.143 0.000 2.175 497 G HA2 -0.278 3.676 3.960 -0.010 0.000 0.244 497 G HA3 -0.278 3.676 3.960 -0.010 0.000 0.244 497 G C -0.070 174.752 174.900 -0.129 0.000 0.982 497 G CA 0.343 45.372 45.100 -0.118 0.000 0.641 497 G HN 0.177 nan 8.290 nan 0.000 0.527 498 E N 0.732 120.831 120.200 -0.168 0.000 2.214 498 E HA 0.445 4.789 4.350 -0.010 0.000 0.274 498 E C -0.659 175.808 176.600 -0.222 0.000 0.977 498 E CA -0.792 55.513 56.400 -0.158 0.000 0.827 498 E CB 1.489 31.109 29.700 -0.133 0.000 1.130 498 E HN 0.240 nan 8.360 nan 0.000 0.394 499 D N 2.130 122.430 120.400 -0.167 0.000 2.358 499 D HA 0.063 4.697 4.640 -0.010 0.000 0.258 499 D C -0.577 175.596 176.300 -0.212 0.000 1.223 499 D CA 0.094 53.974 54.000 -0.201 0.000 0.886 499 D CB 0.335 41.071 40.800 -0.108 0.000 1.120 499 D HN 0.050 nan 8.370 nan 0.000 0.482 500 R N 3.008 123.298 120.500 -0.350 0.000 2.867 500 R HA 0.506 4.840 4.340 -0.010 0.000 0.268 500 R C -0.975 175.198 176.300 -0.212 0.000 1.014 500 R CA -0.792 55.187 56.100 -0.203 0.000 0.946 500 R CB 1.021 31.180 30.300 -0.234 0.000 1.208 500 R HN 0.374 nan 8.270 nan 0.000 0.477 501 F N 0.922 120.948 119.950 0.126 0.000 2.495 501 F HA 0.444 4.964 4.527 -0.012 0.000 0.327 501 F C -0.104 175.788 175.800 0.154 0.000 1.103 501 F CA -1.040 57.030 58.000 0.117 0.000 0.949 501 F CB 1.620 40.586 39.000 -0.057 0.000 1.142 501 F HN 0.097 nan 8.300 nan 0.000 0.457 502 L N 3.581 124.931 121.223 0.212 0.000 2.325 502 L HA 0.859 5.193 4.340 -0.010 0.000 0.281 502 L C -0.855 176.027 176.870 0.020 0.000 1.004 502 L CA -0.655 54.213 54.840 0.047 0.000 0.823 502 L CB 1.002 42.879 42.059 -0.304 0.000 1.236 502 L HN 0.643 nan 8.230 nan 0.000 0.415 503 A N 6.499 129.350 122.820 0.051 0.000 2.330 503 A HA 0.806 5.120 4.320 -0.010 0.000 0.313 503 A C -1.075 176.541 177.584 0.053 0.000 1.124 503 A CA -0.543 51.527 52.037 0.054 0.000 0.774 503 A CB 0.774 19.828 19.000 0.089 0.000 1.198 503 A HN 0.541 nan 8.150 nan 0.000 0.465 504 I N 2.181 122.774 120.570 0.039 0.000 2.362 504 I HA 0.369 4.533 4.170 -0.010 0.000 0.289 504 I C -0.051 176.103 176.117 0.063 0.000 0.994 504 I CA -0.181 61.148 61.300 0.049 0.000 1.158 504 I CB 1.043 39.059 38.000 0.027 0.000 1.315 504 I HN 0.475 nan 8.210 nan 0.000 0.451 505 S N 6.733 122.488 115.700 0.092 0.000 2.451 505 S HA 0.611 5.075 4.470 -0.010 0.000 0.301 505 S C -0.087 174.547 174.600 0.056 0.000 1.116 505 S CA -0.728 57.527 58.200 0.092 0.000 1.093 505 S CB 2.230 65.589 63.200 0.264 0.000 1.017 505 S HN 0.569 nan 8.310 nan 0.000 0.482 506 R N 1.877 122.389 120.500 0.019 0.000 2.513 506 R HA 0.233 4.567 4.340 -0.010 0.000 0.301 506 R C -1.285 175.015 176.300 0.001 0.000 0.968 506 R CA -0.629 55.475 56.100 0.008 0.000 0.872 506 R CB 0.878 31.177 30.300 -0.001 0.000 1.177 506 R HN 0.542 nan 8.270 nan 0.000 0.444 507 D N 5.992 126.396 120.400 0.005 0.000 2.531 507 D HA 0.073 4.707 4.640 -0.010 0.000 0.239 507 D C 0.814 177.111 176.300 -0.005 0.000 1.144 507 D CA 1.433 55.434 54.000 0.003 0.000 0.869 507 D CB 0.221 41.021 40.800 -0.000 0.000 1.160 507 D HN 0.593 nan 8.370 nan 0.000 0.484 508 I N 0.000 120.566 120.570 -0.006 0.000 2.984 508 I HA 0.000 4.164 4.170 -0.010 0.000 0.288 508 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 508 I CB 0.000 37.998 38.000 -0.004 0.000 1.214 508 I HN 0.000 nan 8.210 nan 0.000 0.494