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 2g2q_1_B DATA FIRST_RESID 2 DATA SEQUENCE KNVLIIFGKP YCSICENVSD AVEELKSEYD ILHVDILSFF LKDGDSSXLG DATA SEQUENCE DVKRGTLIGN FAAHLSNYIV SIFKYNPQTK QXAFVDINKS LDFTKTDKSL DATA SEQUENCE VNLEILKSEI EKATYGVWPP 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.612 176.600 0.019 0.000 0.988 2 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 2 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 3 N N 0.457 119.189 118.700 0.054 0.000 2.381 3 N HA 0.294 5.034 4.740 0.000 0.000 0.254 3 N C -0.717 174.981 175.510 0.314 0.000 1.264 3 N CA -0.288 52.872 53.050 0.183 0.000 0.942 3 N CB 0.763 39.413 38.487 0.271 0.000 1.190 3 N HN 0.159 nan 8.380 nan 0.000 0.495 4 V N 1.508 121.597 119.914 0.291 0.000 2.448 4 V HA 0.376 4.497 4.120 0.000 0.000 0.295 4 V C 0.140 176.352 176.094 0.197 0.000 1.025 4 V CA -0.706 61.743 62.300 0.249 0.000 0.859 4 V CB 1.310 33.289 31.823 0.259 0.000 0.988 4 V HN 0.349 nan 8.190 nan 0.000 0.431 5 L N 5.759 127.031 121.223 0.082 0.000 2.307 5 L HA 0.605 4.946 4.340 0.000 0.000 0.282 5 L C -0.850 176.036 176.870 0.027 0.000 1.051 5 L CA -0.467 54.371 54.840 -0.004 0.000 0.804 5 L CB 1.551 43.498 42.059 -0.187 0.000 1.197 5 L HN 0.480 nan 8.230 nan 0.000 0.431 6 I N 4.369 125.019 120.570 0.132 0.000 2.389 6 I HA 0.413 4.583 4.170 0.000 0.000 0.288 6 I C -0.317 175.944 176.117 0.241 0.000 0.999 6 I CA 0.004 61.394 61.300 0.148 0.000 1.129 6 I CB 1.643 39.793 38.000 0.250 0.000 1.288 6 I HN 0.350 nan 8.210 nan 0.000 0.444 7 I N 6.000 126.597 120.570 0.044 0.000 2.389 7 I HA 0.408 4.578 4.170 0.000 0.000 0.288 7 I C -0.982 175.164 176.117 0.049 0.000 0.999 7 I CA -0.408 60.953 61.300 0.102 0.000 1.129 7 I CB 1.136 39.131 38.000 -0.008 0.000 1.288 7 I HN 0.325 nan 8.210 nan 0.000 0.444 8 F N 4.013 124.061 119.950 0.163 0.000 2.427 8 F HA 0.778 5.306 4.527 0.000 0.000 0.346 8 F C 0.725 176.616 175.800 0.152 0.000 1.120 8 F CA -0.283 57.817 58.000 0.166 0.000 1.033 8 F CB 2.069 41.196 39.000 0.211 0.000 1.126 8 F HN 0.493 nan 8.300 nan 0.000 0.462 9 G N 2.500 111.462 108.800 0.271 0.000 2.576 9 G HA2 0.304 4.264 3.960 0.000 0.000 0.290 9 G HA3 0.304 4.264 3.960 0.000 0.000 0.290 9 G C -2.025 172.999 174.900 0.207 0.000 1.442 9 G CA -1.103 44.139 45.100 0.236 0.000 0.792 9 G HN 0.453 nan 8.290 nan 0.000 0.491 10 K N 1.504 122.035 120.400 0.219 0.000 2.368 10 K HA 0.358 4.678 4.320 0.000 0.000 0.282 10 K C -1.887 174.781 176.600 0.113 0.000 1.035 10 K CA -1.140 55.273 56.287 0.211 0.000 0.973 10 K CB 0.811 33.437 32.500 0.210 0.000 0.957 10 K HN 0.248 nan 8.250 nan 0.000 0.474 11 P HA -0.000 nan 4.420 nan 0.000 0.274 11 P C -0.998 176.350 177.300 0.079 0.000 1.237 11 P CA -0.019 63.078 63.100 -0.005 0.000 0.793 11 P CB 0.226 31.934 31.700 0.013 0.000 0.977 12 Y N -2.395 117.916 120.300 0.019 0.000 3.389 12 Y HA -0.228 4.323 4.550 0.000 0.000 0.213 12 Y C 0.585 176.489 175.900 0.007 0.000 1.272 12 Y CA 0.524 58.631 58.100 0.011 0.000 1.444 12 Y CB -2.411 36.055 38.460 0.011 0.000 1.445 12 Y HN 0.612 nan 8.280 nan 0.000 0.583 13 C N -2.833 116.512 119.300 0.076 0.000 2.698 13 C HA 0.718 5.178 4.460 0.000 0.000 0.309 13 C C 1.685 176.688 174.990 0.021 0.000 1.186 13 C CA -0.347 58.696 59.018 0.040 0.000 1.474 13 C CB 1.417 29.148 27.740 -0.016 0.000 2.020 13 C HN 0.557 nan 8.230 nan 0.000 0.474 14 S N 2.373 118.091 115.700 0.030 0.000 2.380 14 S HA -0.242 4.228 4.470 0.000 0.000 0.229 14 S C 1.341 175.969 174.600 0.047 0.000 1.043 14 S CA 2.111 60.336 58.200 0.041 0.000 1.038 14 S CB -0.827 62.406 63.200 0.055 0.000 0.872 14 S HN 0.823 nan 8.310 nan 0.000 0.456 15 I N 1.694 122.295 120.570 0.052 0.000 2.099 15 I HA -0.172 3.998 4.170 0.000 0.000 0.239 15 I C 2.883 179.055 176.117 0.091 0.000 1.066 15 I CA 1.272 62.635 61.300 0.106 0.000 1.324 15 I CB -1.168 36.917 38.000 0.142 0.000 1.037 15 I HN 0.490 nan 8.210 nan 0.000 0.401 16 C N 0.873 120.213 119.300 0.066 0.000 2.429 16 C HA -0.148 4.312 4.460 0.000 0.000 0.277 16 C C 2.799 177.819 174.990 0.050 0.000 1.262 16 C CA 1.142 60.203 59.018 0.071 0.000 1.733 16 C CB -1.132 26.646 27.740 0.063 0.000 2.010 16 C HN 0.516 nan 8.230 nan 0.000 0.483 17 E N 0.278 120.490 120.200 0.020 0.000 2.110 17 E HA -0.167 4.184 4.350 0.000 0.000 0.193 17 E C 1.972 178.584 176.600 0.020 0.000 0.988 17 E CA 1.284 57.684 56.400 0.000 0.000 0.804 17 E CB -0.270 29.420 29.700 -0.017 0.000 0.745 17 E HN 0.698 nan 8.360 nan 0.000 0.458 18 N N 0.315 119.034 118.700 0.032 0.000 2.188 18 N HA -0.115 4.625 4.740 0.000 0.000 0.184 18 N C 1.915 177.443 175.510 0.029 0.000 1.018 18 N CA 0.931 53.998 53.050 0.028 0.000 0.858 18 N CB 0.151 38.654 38.487 0.027 0.000 0.989 18 N HN 0.010 nan 8.380 nan 0.000 0.426 19 V N 1.031 120.971 119.914 0.043 0.000 2.358 19 V HA -0.158 3.962 4.120 0.000 0.000 0.246 19 V C 2.226 178.350 176.094 0.050 0.000 1.047 19 V CA 1.374 63.699 62.300 0.042 0.000 1.035 19 V CB -0.380 31.480 31.823 0.062 0.000 0.658 19 V HN 0.243 nan 8.190 nan 0.000 0.452 20 S N 0.105 115.851 115.700 0.076 0.000 2.359 20 S HA -0.232 4.238 4.470 0.000 0.000 0.224 20 S C 1.746 176.401 174.600 0.092 0.000 1.035 20 S CA 1.722 59.995 58.200 0.122 0.000 1.018 20 S CB -0.454 62.845 63.200 0.164 0.000 0.876 20 S HN 0.606 nan 8.310 nan 0.000 0.448 21 D N 1.749 122.183 120.400 0.056 0.000 2.123 21 D HA -0.045 4.595 4.640 0.000 0.000 0.196 21 D C 2.153 178.476 176.300 0.037 0.000 0.992 21 D CA 1.307 55.332 54.000 0.041 0.000 0.833 21 D CB -0.576 40.239 40.800 0.024 0.000 0.954 21 D HN 0.378 nan 8.370 nan 0.000 0.455 22 A N 0.530 123.367 122.820 0.028 0.000 1.865 22 A HA -0.167 4.154 4.320 0.000 0.000 0.217 22 A C 2.549 180.149 177.584 0.026 0.000 1.191 22 A CA 1.533 53.582 52.037 0.020 0.000 0.623 22 A CB -0.885 18.119 19.000 0.006 0.000 0.826 22 A HN 0.156 nan 8.150 nan 0.000 0.444 23 V N -0.083 119.845 119.914 0.023 0.000 2.407 23 V HA -0.242 3.879 4.120 0.000 0.000 0.248 23 V C 2.509 178.632 176.094 0.048 0.000 1.055 23 V CA 2.385 64.692 62.300 0.012 0.000 1.049 23 V CB -0.749 31.062 31.823 -0.020 0.000 0.662 23 V HN 0.678 nan 8.190 nan 0.000 0.455 24 E N 0.283 120.523 120.200 0.066 0.000 2.265 24 E HA -0.196 4.154 4.350 0.000 0.000 0.196 24 E C 2.085 178.728 176.600 0.071 0.000 0.996 24 E CA 0.933 57.381 56.400 0.080 0.000 0.832 24 E CB -0.156 29.595 29.700 0.085 0.000 0.756 24 E HN 0.670 nan 8.360 nan 0.000 0.491 25 E N -0.454 119.783 120.200 0.061 0.000 2.347 25 E HA -0.101 4.250 4.350 0.000 0.000 0.196 25 E C 1.022 177.668 176.600 0.076 0.000 1.008 25 E CA 0.501 56.935 56.400 0.057 0.000 0.852 25 E CB 0.066 29.792 29.700 0.043 0.000 0.783 25 E HN 0.374 nan 8.360 nan 0.000 0.505 26 L N 0.491 121.783 121.223 0.114 0.000 2.700 26 L HA 0.150 4.491 4.340 0.000 0.000 0.234 26 L C 1.917 178.908 176.870 0.202 0.000 1.156 26 L CA -0.135 54.815 54.840 0.183 0.000 0.946 26 L CB 0.047 42.285 42.059 0.300 0.000 1.216 26 L HN -0.080 nan 8.230 nan 0.000 0.493 27 K N 1.175 121.655 120.400 0.133 0.000 2.281 27 K HA -0.179 4.141 4.320 0.000 0.000 0.203 27 K C 2.267 178.908 176.600 0.068 0.000 1.046 27 K CA 1.610 57.964 56.287 0.112 0.000 0.938 27 K CB 0.029 32.577 32.500 0.081 0.000 0.737 27 K HN 0.391 nan 8.250 nan 0.000 0.458 28 S N 0.168 115.891 115.700 0.039 0.000 2.428 28 S HA -0.157 4.314 4.470 0.000 0.000 0.230 28 S C 1.493 176.060 174.600 -0.056 0.000 1.014 28 S CA 1.108 59.306 58.200 -0.002 0.000 0.957 28 S CB -0.319 62.878 63.200 -0.005 0.000 0.784 28 S HN 0.628 nan 8.310 nan 0.000 0.499 29 E N -0.880 119.251 120.200 -0.115 0.000 2.498 29 E HA 0.274 4.624 4.350 0.000 0.000 0.203 29 E C -0.723 175.552 176.600 -0.542 0.000 1.013 29 E CA -0.465 55.732 56.400 -0.339 0.000 0.927 29 E CB -0.032 29.398 29.700 -0.451 0.000 1.012 29 E HN 0.668 nan 8.360 nan 0.000 0.482 30 Y N 0.700 121.015 120.300 0.025 0.000 2.524 30 Y HA 0.341 4.891 4.550 0.000 0.000 0.347 30 Y C -0.442 175.475 175.900 0.028 0.000 1.005 30 Y CA -1.494 56.624 58.100 0.031 0.000 1.025 30 Y CB 1.633 40.113 38.460 0.033 0.000 1.275 30 Y HN -0.142 nan 8.280 nan 0.000 0.460 31 D N 2.659 123.183 120.400 0.207 0.000 2.210 31 D HA 0.510 5.150 4.640 0.000 0.000 0.249 31 D C -0.690 175.673 176.300 0.106 0.000 1.062 31 D CA 0.055 54.133 54.000 0.130 0.000 0.891 31 D CB 1.769 42.628 40.800 0.100 0.000 1.186 31 D HN 0.375 nan 8.370 nan 0.000 0.432 32 I N 2.019 122.616 120.570 0.044 0.000 2.466 32 I HA 0.215 4.385 4.170 0.000 0.000 0.289 32 I C -0.969 175.085 176.117 -0.106 0.000 1.026 32 I CA -0.824 60.439 61.300 -0.061 0.000 1.078 32 I CB 1.685 39.627 38.000 -0.096 0.000 1.249 32 I HN -0.053 nan 8.210 nan 0.000 0.429 33 L N 6.003 127.124 121.223 -0.170 0.000 2.346 33 L HA 0.497 4.837 4.340 0.000 0.000 0.276 33 L C -0.666 176.021 176.870 -0.305 0.000 1.006 33 L CA -0.832 53.920 54.840 -0.145 0.000 0.817 33 L CB 1.148 43.160 42.059 -0.077 0.000 1.272 33 L HN 0.487 nan 8.230 nan 0.000 0.421 34 H N 1.540 120.560 119.070 -0.085 0.000 2.481 34 H HA 0.665 5.222 4.556 0.000 0.000 0.333 34 H C -0.716 174.492 175.328 -0.199 0.000 1.066 34 H CA -0.614 55.361 56.048 -0.121 0.000 1.209 34 H CB 1.765 31.477 29.762 -0.082 0.000 1.445 34 H HN 0.219 nan 8.280 nan 0.000 0.488 35 V N 3.665 123.437 119.914 -0.237 0.000 2.378 35 V HA 0.146 4.266 4.120 0.000 0.000 0.288 35 V C -0.299 175.690 176.094 -0.176 0.000 1.016 35 V CA -0.923 61.163 62.300 -0.356 0.000 0.840 35 V CB 1.261 32.526 31.823 -0.931 0.000 0.994 35 V HN 0.772 nan 8.190 nan 0.000 0.431 36 D N 4.405 124.769 120.400 -0.061 0.000 2.351 36 D HA 0.424 5.064 4.640 0.000 0.000 0.251 36 D C -0.085 176.243 176.300 0.047 0.000 1.137 36 D CA 0.185 54.194 54.000 0.016 0.000 0.879 36 D CB 1.599 42.409 40.800 0.016 0.000 1.181 36 D HN 0.375 nan 8.370 nan 0.000 0.448 37 I N 2.720 123.350 120.570 0.100 0.000 2.321 37 I HA 0.127 4.297 4.170 0.000 0.000 0.291 37 I C 1.153 177.293 176.117 0.038 0.000 0.998 37 I CA -0.381 60.947 61.300 0.045 0.000 1.227 37 I CB 1.314 39.345 38.000 0.051 0.000 1.368 37 I HN 0.212 nan 8.210 nan 0.000 0.466 38 L N 3.904 125.112 121.223 -0.026 0.000 2.590 38 L HA 0.266 4.606 4.340 0.000 0.000 0.227 38 L C 0.607 177.493 176.870 0.026 0.000 1.099 38 L CA 0.480 55.340 54.840 0.033 0.000 0.872 38 L CB 0.330 42.406 42.059 0.027 0.000 1.088 38 L HN 0.538 nan 8.230 nan 0.000 0.479 39 S N -0.555 115.063 115.700 -0.137 0.000 2.603 39 S HA 0.608 5.078 4.470 0.000 0.000 0.274 39 S C -1.325 173.110 174.600 -0.275 0.000 1.168 39 S CA -0.422 57.738 58.200 -0.067 0.000 0.963 39 S CB 0.807 63.989 63.200 -0.029 0.000 1.078 39 S HN -0.022 nan 8.310 nan 0.000 0.477 40 F N 3.457 123.476 119.950 0.116 0.000 2.551 40 F HA 0.672 5.199 4.527 0.000 0.000 0.316 40 F C -0.633 175.285 175.800 0.196 0.000 1.089 40 F CA -0.796 57.281 58.000 0.128 0.000 0.915 40 F CB 1.671 40.723 39.000 0.087 0.000 1.186 40 F HN 0.545 nan 8.300 nan 0.000 0.456 41 F N 4.847 124.911 119.950 0.190 0.000 2.499 41 F HA 0.584 5.111 4.527 0.000 0.000 0.333 41 F C -1.659 174.206 175.800 0.109 0.000 1.138 41 F CA -0.957 57.114 58.000 0.118 0.000 0.945 41 F CB 1.138 40.177 39.000 0.064 0.000 1.181 41 F HN 0.363 nan 8.300 nan 0.000 0.435 42 L N 7.407 128.295 121.223 -0.558 0.000 2.294 42 L HA 0.444 4.784 4.340 0.000 0.000 0.283 42 L C -0.315 176.050 176.870 -0.842 0.000 1.015 42 L CA -0.776 53.781 54.840 -0.472 0.000 0.831 42 L CB 0.839 42.768 42.059 -0.216 0.000 1.217 42 L HN 0.633 nan 8.230 nan 0.000 0.420 43 K N 3.415 123.430 120.400 -0.643 0.000 2.484 43 K HA -0.030 4.290 4.320 0.000 0.000 0.280 43 K C -0.078 176.391 176.600 -0.218 0.000 1.013 43 K CA -0.243 55.815 56.287 -0.382 0.000 1.029 43 K CB 0.417 32.906 32.500 -0.020 0.000 0.902 43 K HN 0.573 nan 8.250 nan 0.000 0.481 44 D N 1.953 122.268 120.400 -0.141 0.000 2.341 44 D HA -0.096 4.544 4.640 0.000 0.000 0.233 44 D C 1.345 177.619 176.300 -0.043 0.000 1.270 44 D CA 0.622 54.578 54.000 -0.073 0.000 0.883 44 D CB 0.534 41.325 40.800 -0.014 0.000 1.207 44 D HN 0.750 nan 8.370 nan 0.000 0.471 45 G N 0.376 109.158 108.800 -0.030 0.000 2.422 45 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 45 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 45 G C 1.028 175.925 174.900 -0.005 0.000 1.140 45 G CA 0.453 45.543 45.100 -0.016 0.000 0.775 45 G HN 0.425 nan 8.290 nan 0.000 0.545 46 D N 0.790 121.191 120.400 0.001 0.000 2.182 46 D HA -0.061 4.579 4.640 0.000 0.000 0.201 46 D C 2.552 178.860 176.300 0.014 0.000 0.986 46 D CA 1.258 55.264 54.000 0.009 0.000 0.847 46 D CB -0.052 40.756 40.800 0.015 0.000 0.942 46 D HN 0.312 nan 8.370 nan 0.000 0.467 47 S N -0.414 115.296 115.700 0.017 0.000 2.483 47 S HA 0.042 4.512 4.470 0.000 0.000 0.221 47 S C 1.187 175.799 174.600 0.020 0.000 1.030 47 S CA -0.087 58.130 58.200 0.027 0.000 0.925 47 S CB 0.489 63.719 63.200 0.051 0.000 0.795 47 S HN 0.330 nan 8.310 nan 0.000 0.511 51 G N 2.231 111.032 108.800 0.002 0.000 2.313 51 G HA2 0.257 4.218 3.960 0.000 0.000 0.250 51 G HA3 0.257 4.218 3.960 0.000 0.000 0.250 51 G C 0.274 175.174 174.900 0.001 0.000 1.281 51 G CA 0.260 45.361 45.100 0.003 0.000 0.917 51 G HN 0.798 nan 8.290 nan 0.000 0.501 52 D N 0.901 121.301 120.400 0.001 0.000 2.841 52 D HA 0.029 4.669 4.640 0.000 0.000 0.244 52 D C 0.599 176.899 176.300 0.000 0.000 1.228 52 D CA -0.104 53.896 54.000 -0.000 0.000 0.872 52 D CB -0.333 40.468 40.800 0.001 0.000 1.082 52 D HN 0.255 nan 8.370 nan 0.000 0.457 53 V N -4.666 115.248 119.914 0.000 0.000 3.159 53 V HA 0.307 4.428 4.120 0.000 0.000 0.308 53 V C 1.403 177.498 176.094 0.001 0.000 1.190 53 V CA -1.356 60.945 62.300 0.001 0.000 1.037 53 V CB 1.907 33.731 31.823 0.003 0.000 1.060 53 V HN -0.125 nan 8.190 nan 0.000 0.437 54 K N 0.103 120.504 120.400 0.001 0.000 2.107 54 K HA -0.286 4.034 4.320 0.000 0.000 0.211 54 K C 2.148 178.753 176.600 0.007 0.000 1.049 54 K CA 2.661 58.948 56.287 0.000 0.000 0.927 54 K CB -0.199 32.302 32.500 0.001 0.000 0.714 54 K HN 0.786 nan 8.250 nan 0.000 0.452 55 R N -0.063 120.445 120.500 0.012 0.000 2.083 55 R HA -0.092 4.248 4.340 0.000 0.000 0.237 55 R C 2.169 178.485 176.300 0.026 0.000 1.137 55 R CA 2.215 58.328 56.100 0.022 0.000 0.951 55 R CB -1.101 29.210 30.300 0.018 0.000 0.851 55 R HN 0.349 nan 8.270 nan 0.000 0.434 56 G N -1.335 107.474 108.800 0.016 0.000 2.408 56 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 56 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 56 G C 1.337 176.244 174.900 0.012 0.000 1.150 56 G CA 1.150 46.259 45.100 0.014 0.000 0.776 56 G HN 0.434 nan 8.290 nan 0.000 0.542 57 T N 1.092 115.647 114.554 0.001 0.000 2.720 57 T HA -0.138 4.212 4.350 0.000 0.000 0.268 57 T C 2.270 176.961 174.700 -0.015 0.000 1.037 57 T CA 1.157 63.249 62.100 -0.013 0.000 1.144 57 T CB -0.211 68.646 68.868 -0.020 0.000 0.864 57 T HN 0.180 nan 8.240 nan 0.000 0.444 58 L N 0.333 121.559 121.223 0.004 0.000 2.083 58 L HA -0.029 4.311 4.340 0.000 0.000 0.209 58 L C 2.194 179.128 176.870 0.107 0.000 1.083 58 L CA 1.370 56.221 54.840 0.019 0.000 0.752 58 L CB -0.277 41.820 42.059 0.064 0.000 0.899 58 L HN 0.281 nan 8.230 nan 0.000 0.433 59 I N -0.793 119.846 120.570 0.115 0.000 2.252 59 I HA -0.181 3.989 4.170 0.000 0.000 0.245 59 I C 2.576 178.757 176.117 0.107 0.000 1.102 59 I CA 1.115 62.503 61.300 0.146 0.000 1.385 59 I CB -1.092 36.956 38.000 0.079 0.000 1.064 59 I HN 0.354 nan 8.210 nan 0.000 0.414 60 G N 1.269 110.093 108.800 0.040 0.000 2.476 60 G HA2 -0.304 3.657 3.960 0.000 0.000 0.218 60 G HA3 -0.304 3.657 3.960 0.000 0.000 0.218 60 G C 1.390 176.288 174.900 -0.004 0.000 1.164 60 G CA 1.106 46.209 45.100 0.004 0.000 0.768 60 G HN 0.303 nan 8.290 nan 0.000 0.560 61 N N 0.611 119.285 118.700 -0.043 0.000 2.036 61 N HA -0.118 4.623 4.740 0.000 0.000 0.195 61 N C 1.851 177.316 175.510 -0.074 0.000 1.037 61 N CA 1.180 54.156 53.050 -0.122 0.000 0.855 61 N CB -0.654 37.681 38.487 -0.253 0.000 1.033 61 N HN 0.325 nan 8.380 nan 0.000 0.423 62 F N 1.002 120.982 119.950 0.050 0.000 2.134 62 F HA -0.004 4.523 4.527 0.000 0.000 0.299 62 F C 2.341 178.175 175.800 0.057 0.000 1.097 62 F CA 0.855 58.913 58.000 0.096 0.000 1.264 62 F CB -0.866 38.172 39.000 0.062 0.000 1.001 62 F HN 0.029 nan 8.300 nan 0.000 0.479 63 A N -0.034 122.899 122.820 0.188 0.000 1.908 63 A HA -0.112 4.208 4.320 0.000 0.000 0.218 63 A C 2.441 180.047 177.584 0.037 0.000 1.181 63 A CA 1.914 53.999 52.037 0.080 0.000 0.627 63 A CB -1.325 17.698 19.000 0.038 0.000 0.818 63 A HN 0.306 nan 8.150 nan 0.000 0.445 64 A N -1.045 121.790 122.820 0.026 0.000 1.933 64 A HA -0.182 4.139 4.320 0.000 0.000 0.218 64 A C 2.042 179.621 177.584 -0.007 0.000 1.175 64 A CA 2.081 54.105 52.037 -0.021 0.000 0.628 64 A CB -0.859 18.126 19.000 -0.026 0.000 0.814 64 A HN 0.747 nan 8.150 nan 0.000 0.444 65 H N 0.175 119.224 119.070 -0.035 0.000 2.456 65 H HA 0.031 4.587 4.556 0.000 0.000 0.296 65 H C 1.498 176.853 175.328 0.045 0.000 1.079 65 H CA 1.490 57.538 56.048 0.002 0.000 1.322 65 H CB -0.457 29.353 29.762 0.081 0.000 1.388 65 H HN 0.388 nan 8.280 nan 0.000 0.538 66 L N 0.367 121.580 121.223 -0.017 0.000 2.353 66 L HA -0.134 4.207 4.340 0.000 0.000 0.220 66 L C 2.510 179.312 176.870 -0.112 0.000 1.133 66 L CA 1.092 55.924 54.840 -0.014 0.000 0.798 66 L CB -0.519 41.524 42.059 -0.027 0.000 0.922 66 L HN 0.397 nan 8.230 nan 0.000 0.445 67 S N -0.618 114.904 115.700 -0.297 0.000 2.440 67 S HA -0.164 4.307 4.470 0.000 0.000 0.238 67 S C 1.603 175.973 174.600 -0.383 0.000 1.010 67 S CA 1.131 58.959 58.200 -0.621 0.000 0.972 67 S CB -0.455 61.962 63.200 -1.306 0.000 0.774 67 S HN 0.483 nan 8.310 nan 0.000 0.501 68 N N 0.605 119.103 118.700 -0.337 0.000 2.550 68 N HA 0.021 4.761 4.740 0.000 0.000 0.186 68 N C 0.126 175.300 175.510 -0.560 0.000 1.110 68 N CA 0.850 53.638 53.050 -0.437 0.000 0.912 68 N CB -0.296 37.839 38.487 -0.586 0.000 0.968 68 N HN 0.641 nan 8.380 nan 0.000 0.448 69 Y N -0.195 120.043 120.300 -0.104 0.000 2.500 69 Y HA 0.318 4.869 4.550 0.000 0.000 0.246 69 Y C 0.378 176.251 175.900 -0.044 0.000 1.146 69 Y CA -0.644 57.400 58.100 -0.092 0.000 1.230 69 Y CB 0.661 38.969 38.460 -0.254 0.000 1.214 69 Y HN -0.135 nan 8.280 nan 0.000 0.526 70 I N 2.143 122.762 120.570 0.083 0.000 2.436 70 I HA 0.146 4.316 4.170 0.000 0.000 0.289 70 I C -0.231 175.991 176.117 0.174 0.000 1.083 70 I CA -0.210 61.170 61.300 0.134 0.000 1.372 70 I CB 0.152 38.269 38.000 0.195 0.000 1.408 70 I HN -0.237 nan 8.210 nan 0.000 0.516 71 V N 5.674 125.695 119.914 0.178 0.000 2.612 71 V HA 0.336 4.456 4.120 0.000 0.000 0.301 71 V C -0.073 176.130 176.094 0.182 0.000 1.059 71 V CA -0.483 61.933 62.300 0.193 0.000 0.886 71 V CB 2.142 34.068 31.823 0.172 0.000 1.007 71 V HN 0.747 nan 8.190 nan 0.000 0.426 72 S N 5.018 120.854 115.700 0.226 0.000 2.473 72 S HA 0.781 5.251 4.470 0.000 0.000 0.307 72 S C -0.612 174.072 174.600 0.140 0.000 1.094 72 S CA -0.447 57.852 58.200 0.165 0.000 1.070 72 S CB 1.025 64.287 63.200 0.105 0.000 1.019 72 S HN 0.551 nan 8.310 nan 0.000 0.480 73 I N 3.665 124.211 120.570 -0.040 0.000 2.474 73 I HA 0.520 4.690 4.170 0.000 0.000 0.294 73 I C -1.273 174.727 176.117 -0.194 0.000 1.005 73 I CA -0.590 60.691 61.300 -0.031 0.000 1.113 73 I CB 1.558 39.534 38.000 -0.040 0.000 1.289 73 I HN 0.483 nan 8.210 nan 0.000 0.436 74 F N 3.969 124.075 119.950 0.259 0.000 2.563 74 F HA 0.526 5.053 4.527 0.000 0.000 0.316 74 F C -0.001 175.886 175.800 0.145 0.000 1.076 74 F CA -0.797 57.362 58.000 0.265 0.000 0.921 74 F CB 2.054 41.234 39.000 0.301 0.000 1.209 74 F HN 0.265 nan 8.300 nan 0.000 0.462 75 K N 2.042 122.634 120.400 0.320 0.000 2.292 75 K HA 0.444 4.764 4.320 0.000 0.000 0.257 75 K C -2.134 174.668 176.600 0.335 0.000 0.940 75 K CA -0.715 55.702 56.287 0.217 0.000 0.811 75 K CB 1.559 34.094 32.500 0.057 0.000 1.120 75 K HN 0.678 nan 8.250 nan 0.000 0.428 76 Y N 3.389 123.808 120.300 0.197 0.000 2.391 76 Y HA 0.351 4.901 4.550 0.000 0.000 0.341 76 Y C -1.167 174.842 175.900 0.182 0.000 0.965 76 Y CA -1.197 57.003 58.100 0.166 0.000 1.067 76 Y CB 1.478 39.982 38.460 0.072 0.000 1.199 76 Y HN 0.587 nan 8.280 nan 0.000 0.450 77 N N 7.819 126.211 118.700 -0.514 0.000 2.457 77 N HA 0.325 5.065 4.740 0.000 0.000 0.250 77 N C -2.415 172.547 175.510 -0.912 0.000 0.982 77 N CA -2.437 50.280 53.050 -0.555 0.000 0.941 77 N CB 2.019 40.184 38.487 -0.536 0.000 1.120 77 N HN 0.400 nan 8.380 nan 0.000 0.505 78 P HA -0.037 nan 4.420 nan 0.000 0.221 78 P C 0.768 177.938 177.300 -0.217 0.000 1.150 78 P CA 1.189 64.086 63.100 -0.339 0.000 0.800 78 P CB 0.541 32.209 31.700 -0.053 0.000 0.787 79 Q N -0.870 118.799 119.800 -0.218 0.000 2.096 79 Q HA -0.065 4.275 4.340 0.000 0.000 0.197 79 Q C 2.058 177.953 176.000 -0.174 0.000 0.964 79 Q CA 2.025 57.734 55.803 -0.156 0.000 0.838 79 Q CB -0.796 27.862 28.738 -0.134 0.000 0.906 79 Q HN 0.328 nan 8.270 nan 0.000 0.444 80 T N -2.583 111.817 114.554 -0.255 0.000 3.057 80 T HA 0.125 4.476 4.350 0.000 0.000 0.254 80 T C 0.411 174.983 174.700 -0.214 0.000 1.094 80 T CA 0.192 62.150 62.100 -0.237 0.000 1.088 80 T CB 0.166 68.841 68.868 -0.321 0.000 0.934 80 T HN 0.064 nan 8.240 nan 0.000 0.497 81 K N 0.910 121.136 120.400 -0.289 0.000 3.192 81 K HA -0.134 4.186 4.320 0.000 0.000 0.278 81 K C -0.013 176.538 176.600 -0.081 0.000 1.164 81 K CA 0.600 56.791 56.287 -0.161 0.000 0.816 81 K CB -2.058 30.451 32.500 0.016 0.000 1.256 81 K HN 0.681 nan 8.250 nan 0.000 0.497 85 F N 3.323 123.540 119.950 0.445 0.000 2.361 85 F HA 0.577 5.104 4.527 0.000 0.000 0.364 85 F C -0.189 175.600 175.800 -0.019 0.000 1.120 85 F CA -0.796 57.320 58.000 0.192 0.000 1.102 85 F CB 0.920 40.025 39.000 0.175 0.000 1.183 85 F HN 0.459 nan 8.300 nan 0.000 0.476 86 V N 4.843 124.556 119.914 -0.335 0.000 2.555 86 V HA 0.001 4.121 4.120 0.000 0.000 0.286 86 V C -0.134 175.536 176.094 -0.708 0.000 1.044 86 V CA -0.272 61.780 62.300 -0.413 0.000 1.026 86 V CB 1.113 32.793 31.823 -0.239 0.000 0.981 86 V HN 0.624 nan 8.190 nan 0.000 0.480 87 D N 4.469 124.572 120.400 -0.495 0.000 2.380 87 D HA 0.241 4.882 4.640 0.000 0.000 0.230 87 D C 0.793 176.949 176.300 -0.240 0.000 1.154 87 D CA -0.405 53.345 54.000 -0.417 0.000 0.859 87 D CB 0.756 41.388 40.800 -0.279 0.000 1.045 87 D HN 0.539 nan 8.370 nan 0.000 0.495 88 I N 0.317 120.773 120.570 -0.191 0.000 3.883 88 I HA 0.207 4.378 4.170 0.000 0.000 0.326 88 I C 0.748 176.851 176.117 -0.023 0.000 1.283 88 I CA -0.433 60.813 61.300 -0.090 0.000 1.161 88 I CB -0.105 37.861 38.000 -0.056 0.000 1.012 88 I HN 0.010 nan 8.210 nan 0.000 0.421 89 N N 3.022 121.717 118.700 -0.009 0.000 2.061 89 N HA -0.182 4.558 4.740 0.000 0.000 0.193 89 N C 1.524 177.052 175.510 0.030 0.000 1.030 89 N CA 1.774 54.863 53.050 0.066 0.000 0.856 89 N CB -0.288 38.226 38.487 0.045 0.000 1.023 89 N HN 0.446 nan 8.380 nan 0.000 0.424 90 K N -0.198 120.192 120.400 -0.017 0.000 2.362 90 K HA 0.063 4.383 4.320 0.000 0.000 0.200 90 K C 1.739 178.304 176.600 -0.058 0.000 1.046 90 K CA 0.593 56.861 56.287 -0.032 0.000 0.952 90 K CB -0.021 32.458 32.500 -0.035 0.000 0.753 90 K HN 0.058 nan 8.250 nan 0.000 0.466 91 S N 0.456 116.114 115.700 -0.070 0.000 2.489 91 S HA 0.070 4.541 4.470 0.000 0.000 0.228 91 S C 0.376 174.882 174.600 -0.157 0.000 0.995 91 S CA 0.141 58.287 58.200 -0.090 0.000 0.934 91 S CB 0.100 63.256 63.200 -0.073 0.000 0.771 91 S HN 0.100 nan 8.310 nan 0.000 0.522 92 L N 1.895 122.976 121.223 -0.236 0.000 2.333 92 L HA 0.521 4.861 4.340 0.000 0.000 0.280 92 L C -0.871 175.602 176.870 -0.661 0.000 1.004 92 L CA -0.688 53.821 54.840 -0.551 0.000 0.820 92 L CB 1.713 43.245 42.059 -0.878 0.000 1.247 92 L HN -0.008 nan 8.230 nan 0.000 0.416 93 D N 2.893 122.965 120.400 -0.547 0.000 2.454 93 D HA 0.222 4.862 4.640 0.000 0.000 0.225 93 D C 0.261 176.337 176.300 -0.374 0.000 1.081 93 D CA -0.377 53.406 54.000 -0.361 0.000 0.864 93 D CB 0.871 41.572 40.800 -0.163 0.000 1.040 93 D HN 0.306 nan 8.370 nan 0.000 0.517 94 F N 1.035 120.966 119.950 -0.032 0.000 2.811 94 F HA 0.005 4.533 4.527 0.001 0.000 0.301 94 F C 2.468 178.243 175.800 -0.041 0.000 1.151 94 F CA 0.282 58.260 58.000 -0.036 0.000 1.412 94 F CB -0.011 38.908 39.000 -0.136 0.000 1.113 94 F HN 0.302 nan 8.300 nan 0.000 0.579 95 T N -3.509 111.098 114.554 0.089 0.000 3.107 95 T HA 0.109 4.460 4.350 0.000 0.000 0.249 95 T C 0.815 175.536 174.700 0.035 0.000 1.096 95 T CA -0.037 62.094 62.100 0.051 0.000 1.012 95 T CB 0.055 68.939 68.868 0.025 0.000 0.977 95 T HN -0.187 nan 8.240 nan 0.000 0.527 96 K N 1.606 122.017 120.400 0.018 0.000 2.095 96 K HA 0.323 4.643 4.320 0.000 0.000 0.252 96 K C 1.599 178.211 176.600 0.019 0.000 0.977 96 K CA 0.031 56.320 56.287 0.003 0.000 0.900 96 K CB 1.387 33.868 32.500 -0.032 0.000 1.060 96 K HN 0.137 nan 8.250 nan 0.000 0.449 97 T N 0.302 114.864 114.554 0.014 0.000 2.261 97 T HA -0.329 4.021 4.350 0.000 0.000 0.203 97 T C 0.962 175.680 174.700 0.030 0.000 1.596 97 T CA 2.980 65.092 62.100 0.020 0.000 1.039 97 T CB -0.067 68.806 68.868 0.010 0.000 0.818 97 T HN 0.857 nan 8.240 nan 0.000 0.433 98 D N -2.456 117.957 120.400 0.022 0.000 1.756 98 D HA -0.049 4.591 4.640 0.000 0.000 0.284 98 D C 1.633 177.941 176.300 0.013 0.000 1.430 98 D CA 0.086 54.103 54.000 0.029 0.000 0.737 98 D CB -0.895 39.927 40.800 0.037 0.000 3.145 98 D HN 0.198 nan 8.370 nan 0.000 0.203 99 K N 1.272 121.678 120.400 0.009 0.000 2.000 99 K HA -0.097 4.223 4.320 0.000 0.000 0.218 99 K C 1.584 178.178 176.600 -0.011 0.000 1.053 99 K CA 1.897 58.185 56.287 0.002 0.000 0.946 99 K CB -1.036 31.466 32.500 0.003 0.000 0.723 99 K HN 0.311 nan 8.250 nan 0.000 0.446 100 S N 1.669 117.359 115.700 -0.017 0.000 3.456 100 S HA 0.088 4.558 4.470 0.000 0.000 0.229 100 S C 1.207 175.773 174.600 -0.055 0.000 1.416 100 S CA -0.362 57.819 58.200 -0.032 0.000 1.197 100 S CB -0.724 62.460 63.200 -0.027 0.000 1.201 100 S HN 0.277 nan 8.310 nan 0.000 0.479 101 L N -0.968 120.216 121.223 -0.064 0.000 2.567 101 L HA 0.534 4.874 4.340 0.000 0.000 0.225 101 L C -0.210 176.556 176.870 -0.174 0.000 1.119 101 L CA 0.063 54.827 54.840 -0.127 0.000 0.871 101 L CB -0.107 41.893 42.059 -0.099 0.000 1.036 101 L HN 0.231 nan 8.230 nan 0.000 0.459 102 V N 1.730 121.581 119.914 -0.105 0.000 2.407 102 V HA 0.352 4.472 4.120 0.000 0.000 0.291 102 V C -0.368 175.685 176.094 -0.068 0.000 1.018 102 V CA -0.655 61.588 62.300 -0.094 0.000 0.842 102 V CB 1.081 32.871 31.823 -0.055 0.000 0.996 102 V HN 0.287 nan 8.190 nan 0.000 0.426 103 N N 3.651 122.307 118.700 -0.074 0.000 2.401 103 N HA 0.093 4.833 4.740 0.000 0.000 0.255 103 N C 0.745 176.232 175.510 -0.038 0.000 1.110 103 N CA -0.298 52.722 53.050 -0.051 0.000 0.949 103 N CB 1.542 39.996 38.487 -0.053 0.000 1.110 103 N HN 0.704 nan 8.380 nan 0.000 0.490 104 L N 4.813 126.022 121.223 -0.024 0.000 2.141 104 L HA -0.038 4.302 4.340 0.000 0.000 0.209 104 L C 1.862 178.728 176.870 -0.007 0.000 1.094 104 L CA 1.660 56.493 54.840 -0.012 0.000 0.763 104 L CB -0.155 41.904 42.059 -0.001 0.000 0.908 104 L HN 0.511 nan 8.230 nan 0.000 0.437 105 E N 0.078 120.272 120.200 -0.009 0.000 2.047 105 E HA -0.191 4.159 4.350 0.000 0.000 0.191 105 E C 2.335 178.928 176.600 -0.011 0.000 0.987 105 E CA 1.789 58.186 56.400 -0.005 0.000 0.799 105 E CB -0.362 29.334 29.700 -0.006 0.000 0.752 105 E HN 0.600 nan 8.360 nan 0.000 0.449 106 I N 0.940 121.496 120.570 -0.022 0.000 2.226 106 I HA -0.268 3.903 4.170 0.000 0.000 0.245 106 I C 2.547 178.644 176.117 -0.033 0.000 1.100 106 I CA 0.619 61.902 61.300 -0.029 0.000 1.374 106 I CB -0.253 37.724 38.000 -0.039 0.000 1.057 106 I HN 0.064 nan 8.210 nan 0.000 0.413 107 L N 1.185 122.387 121.223 -0.034 0.000 2.017 107 L HA -0.220 4.120 4.340 0.000 0.000 0.208 107 L C 2.483 179.334 176.870 -0.031 0.000 1.073 107 L CA 1.931 56.747 54.840 -0.041 0.000 0.745 107 L CB -0.717 41.319 42.059 -0.039 0.000 0.894 107 L HN 0.085 nan 8.230 nan 0.000 0.432 108 K N -1.015 119.382 120.400 -0.005 0.000 2.020 108 K HA -0.252 4.068 4.320 0.000 0.000 0.212 108 K C 2.369 178.982 176.600 0.023 0.000 1.050 108 K CA 1.916 58.219 56.287 0.027 0.000 0.929 108 K CB -0.447 32.080 32.500 0.044 0.000 0.714 108 K HN 0.480 nan 8.250 nan 0.000 0.443 109 S N 0.505 116.209 115.700 0.006 0.000 2.353 109 S HA -0.211 4.260 4.470 0.000 0.000 0.222 109 S C 1.745 176.334 174.600 -0.018 0.000 1.035 109 S CA 1.826 60.026 58.200 -0.000 0.000 1.025 109 S CB -0.325 62.871 63.200 -0.007 0.000 0.902 109 S HN 0.421 nan 8.310 nan 0.000 0.440 110 E N 0.246 120.422 120.200 -0.040 0.000 2.118 110 E HA -0.125 4.226 4.350 0.000 0.000 0.195 110 E C 2.031 178.581 176.600 -0.084 0.000 0.992 110 E CA 1.531 57.890 56.400 -0.069 0.000 0.804 110 E CB -0.285 29.363 29.700 -0.087 0.000 0.741 110 E HN 0.619 nan 8.360 nan 0.000 0.458 111 I N 1.026 121.552 120.570 -0.072 0.000 2.202 111 I HA -0.256 3.914 4.170 0.000 0.000 0.242 111 I C 2.057 178.148 176.117 -0.042 0.000 1.091 111 I CA 1.279 62.525 61.300 -0.090 0.000 1.368 111 I CB -0.168 37.754 38.000 -0.129 0.000 1.058 111 I HN 0.074 nan 8.210 nan 0.000 0.410 112 E N 0.613 120.823 120.200 0.018 0.000 2.274 112 E HA -0.166 4.185 4.350 0.000 0.000 0.194 112 E C 1.957 178.556 176.600 -0.002 0.000 0.996 112 E CA 0.694 57.122 56.400 0.047 0.000 0.840 112 E CB 0.034 29.778 29.700 0.074 0.000 0.772 112 E HN 0.419 nan 8.360 nan 0.000 0.491 113 K N 0.755 121.138 120.400 -0.029 0.000 2.296 113 K HA 0.099 4.420 4.320 0.000 0.000 0.200 113 K C 0.712 177.271 176.600 -0.068 0.000 1.048 113 K CA 0.135 56.400 56.287 -0.037 0.000 0.966 113 K CB 0.202 32.679 32.500 -0.038 0.000 0.754 113 K HN -0.014 nan 8.250 nan 0.000 0.466 114 A N 2.146 124.900 122.820 -0.111 0.000 2.561 114 A HA -0.003 4.317 4.320 0.000 0.000 0.251 114 A C 0.044 177.515 177.584 -0.189 0.000 1.062 114 A CA 0.491 52.445 52.037 -0.138 0.000 0.761 114 A CB -0.081 18.825 19.000 -0.156 0.000 0.986 114 A HN 0.083 nan 8.150 nan 0.000 0.510 115 T N 3.494 118.010 114.554 -0.063 0.000 2.834 115 T HA 0.267 4.617 4.350 0.000 0.000 0.298 115 T C -0.200 174.524 174.700 0.041 0.000 0.966 115 T CA 0.846 62.951 62.100 0.009 0.000 1.141 115 T CB -0.316 68.605 68.868 0.089 0.000 0.905 115 T HN 0.403 nan 8.240 nan 0.000 0.535 116 Y N 1.805 122.175 120.300 0.116 0.000 2.309 116 Y HA 0.544 5.094 4.550 0.000 0.000 0.327 116 Y C 1.120 177.077 175.900 0.095 0.000 1.172 116 Y CA -0.005 58.142 58.100 0.078 0.000 1.280 116 Y CB 1.266 39.741 38.460 0.025 0.000 1.234 116 Y HN 0.837 nan 8.280 nan 0.000 0.512 117 G N 0.891 109.835 108.800 0.239 0.000 2.606 117 G HA2 0.511 4.471 3.960 0.000 0.000 0.300 117 G HA3 0.511 4.471 3.960 0.000 0.000 0.300 117 G C -2.235 172.638 174.900 -0.045 0.000 1.360 117 G CA -0.735 44.464 45.100 0.165 0.000 0.783 117 G HN 0.403 nan 8.290 nan 0.000 0.484 118 V N 0.525 120.455 119.914 0.026 0.000 2.448 118 V HA 0.546 4.666 4.120 0.000 0.000 0.295 118 V C -1.070 175.130 176.094 0.176 0.000 1.025 118 V CA -0.701 61.580 62.300 -0.031 0.000 0.859 118 V CB 1.642 33.481 31.823 0.026 0.000 0.988 118 V HN 0.588 nan 8.190 nan 0.000 0.431 119 W N 5.640 126.979 121.300 0.064 0.000 2.314 119 W HA 0.486 5.146 4.660 0.001 0.000 0.310 119 W C -2.095 174.435 176.519 0.019 0.000 1.075 119 W CA -3.231 54.137 57.345 0.039 0.000 1.253 119 W CB 0.271 29.748 29.460 0.029 0.000 1.238 119 W HN 0.357 nan 8.180 nan 0.000 0.440 120 P HA 0.208 nan 4.420 nan 0.000 0.281 120 P C -1.526 175.830 177.300 0.093 0.000 1.286 120 P CA -0.718 62.456 63.100 0.123 0.000 0.772 120 P CB 0.229 31.985 31.700 0.092 0.000 0.862 121 P HA 0.000 nan 4.420 nan 0.000 0.216 121 P CA 0.000 63.126 63.100 0.044 0.000 0.800 121 P CB 0.000 31.717 31.700 0.029 0.000 0.726