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 1xq4_1_B DATA FIRST_RESID 7 DATA SEQUENCE PVKPYDLTVS VTPRYVPEQS DPSQQQYVFA YTVRITNTGS HPAQVISRHW DATA SEQUENCE IITDGEERVQ EVRGLGVVGQ QPLLAPGETF EYTSGCPLPT PIGTXRGTYH DATA SEQUENCE CVGENGIPFE VPIAEFLLAX P 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.286 177.300 -0.023 0.000 1.155 7 P CA 0.000 63.090 63.100 -0.017 0.000 0.800 7 P CB 0.000 31.690 31.700 -0.017 0.000 0.726 8 V N 2.206 122.101 119.914 -0.031 0.000 2.763 8 V HA 0.209 4.329 4.120 0.000 0.000 0.306 8 V C 0.101 176.164 176.094 -0.051 0.000 1.059 8 V CA 0.547 62.821 62.300 -0.043 0.000 1.138 8 V CB -0.025 31.765 31.823 -0.055 0.000 0.940 8 V HN 0.336 nan 8.190 nan 0.000 0.489 9 K N 7.779 128.142 120.400 -0.061 0.000 2.208 9 K HA 0.514 4.834 4.320 0.000 0.000 0.247 9 K C -1.756 174.771 176.600 -0.121 0.000 0.953 9 K CA -1.616 54.626 56.287 -0.076 0.000 0.837 9 K CB 1.737 34.194 32.500 -0.070 0.000 1.131 9 K HN 0.416 nan 8.250 nan 0.000 0.431 10 P HA -0.142 nan 4.420 nan 0.000 0.216 10 P C -0.513 176.402 177.300 -0.642 0.000 1.153 10 P CA 1.403 64.323 63.100 -0.300 0.000 0.844 10 P CB 0.284 31.787 31.700 -0.328 0.000 0.787 11 Y N -0.013 120.216 120.300 -0.119 0.000 2.363 11 Y HA 0.583 5.133 4.550 0.000 0.000 0.325 11 Y C -0.617 175.017 175.900 -0.443 0.000 0.984 11 Y CA -1.085 56.829 58.100 -0.311 0.000 1.248 11 Y CB 1.111 39.223 38.460 -0.580 0.000 1.116 11 Y HN -0.142 nan 8.280 nan 0.000 0.470 12 D N 2.960 123.316 120.400 -0.074 0.000 2.966 12 D HA 0.589 5.229 4.640 0.000 0.000 0.222 12 D C -1.725 174.646 176.300 0.119 0.000 1.292 12 D CA -0.237 53.751 54.000 -0.019 0.000 0.907 12 D CB 1.375 42.161 40.800 -0.023 0.000 1.621 12 D HN 0.418 nan 8.370 nan 0.000 0.557 13 L N 2.584 123.927 121.223 0.200 0.000 2.365 13 L HA 0.628 4.968 4.340 0.000 0.000 0.273 13 L C -0.076 176.895 176.870 0.168 0.000 1.000 13 L CA -0.885 54.077 54.840 0.204 0.000 0.819 13 L CB 2.211 44.426 42.059 0.260 0.000 1.284 13 L HN 0.486 nan 8.230 nan 0.000 0.418 14 T N -0.086 114.550 114.554 0.137 0.000 2.797 14 T HA 0.712 5.062 4.350 0.000 0.000 0.279 14 T C -0.429 174.357 174.700 0.143 0.000 0.991 14 T CA -0.719 61.455 62.100 0.122 0.000 0.979 14 T CB 1.814 70.733 68.868 0.086 0.000 0.943 14 T HN 0.178 nan 8.240 nan 0.000 0.444 15 V N 3.135 123.140 119.914 0.152 0.000 2.555 15 V HA 0.790 4.910 4.120 0.000 0.000 0.302 15 V C 0.139 176.298 176.094 0.108 0.000 1.038 15 V CA -0.806 61.600 62.300 0.178 0.000 0.887 15 V CB 1.707 33.683 31.823 0.255 0.000 0.991 15 V HN 1.192 nan 8.190 nan 0.000 0.434 16 S N 3.912 119.661 115.700 0.081 0.000 2.557 16 S HA 0.843 5.313 4.470 0.000 0.000 0.291 16 S C -1.215 173.358 174.600 -0.044 0.000 1.116 16 S CA -0.578 57.627 58.200 0.009 0.000 0.992 16 S CB 1.865 65.069 63.200 0.007 0.000 1.028 16 S HN 0.481 nan 8.310 nan 0.000 0.484 17 V N 2.968 122.780 119.914 -0.171 0.000 2.588 17 V HA 0.601 4.721 4.120 0.000 0.000 0.304 17 V C -0.354 175.514 176.094 -0.377 0.000 1.042 17 V CA -0.574 61.537 62.300 -0.314 0.000 0.877 17 V CB 2.044 33.489 31.823 -0.630 0.000 0.996 17 V HN 1.002 nan 8.190 nan 0.000 0.425 18 T N 6.800 121.220 114.554 -0.223 0.000 2.977 18 T HA 0.403 4.753 4.350 0.000 0.000 0.346 18 T C -2.500 172.170 174.700 -0.050 0.000 1.140 18 T CA -0.919 61.100 62.100 -0.133 0.000 1.040 18 T CB 1.452 70.282 68.868 -0.063 0.000 1.046 18 T HN 0.526 nan 8.240 nan 0.000 0.494 19 P HA 0.499 nan 4.420 nan 0.000 0.276 19 P C -0.792 176.627 177.300 0.198 0.000 1.252 19 P CA -0.733 62.465 63.100 0.164 0.000 0.802 19 P CB 1.036 32.881 31.700 0.242 0.000 1.035 20 R N -0.018 120.661 120.500 0.297 0.000 2.633 20 R HA 0.314 4.654 4.340 0.000 0.000 0.256 20 R C -1.434 175.044 176.300 0.298 0.000 1.131 20 R CA -0.926 55.334 56.100 0.268 0.000 0.994 20 R CB -0.043 30.339 30.300 0.137 0.000 1.261 20 R HN 0.321 nan 8.270 nan 0.000 0.446 21 Y N 2.545 122.901 120.300 0.094 0.000 2.457 21 Y HA 0.362 4.912 4.550 0.000 0.000 0.341 21 Y C -0.591 175.213 175.900 -0.161 0.000 1.240 21 Y CA 0.287 58.227 58.100 -0.268 0.000 1.437 21 Y CB 1.210 39.508 38.460 -0.270 0.000 1.328 21 Y HN 0.388 nan 8.280 nan 0.000 0.588 22 V N 8.440 127.750 119.914 -1.006 0.000 2.340 22 V HA 0.206 4.326 4.120 0.000 0.000 0.277 22 V C -2.136 173.428 176.094 -0.883 0.000 1.017 22 V CA -1.317 60.592 62.300 -0.651 0.000 0.820 22 V CB 1.150 32.755 31.823 -0.363 0.000 1.028 22 V HN 0.723 nan 8.190 nan 0.000 0.436 23 P HA -0.066 nan 4.420 nan 0.000 0.217 23 P C 1.307 178.499 177.300 -0.180 0.000 1.151 23 P CA 0.917 63.863 63.100 -0.257 0.000 0.828 23 P CB 0.385 32.121 31.700 0.061 0.000 0.788 24 E N -0.006 120.102 120.200 -0.154 0.000 2.339 24 E HA -0.219 4.131 4.350 0.000 0.000 0.201 24 E C 1.193 177.726 176.600 -0.113 0.000 1.015 24 E CA 1.040 57.377 56.400 -0.105 0.000 0.841 24 E CB -0.472 29.175 29.700 -0.088 0.000 0.754 24 E HN 0.556 nan 8.360 nan 0.000 0.508 25 Q N -0.754 118.947 119.800 -0.164 0.000 2.074 25 Q HA 0.344 4.684 4.340 0.000 0.000 0.265 25 Q C -0.604 175.296 176.000 -0.168 0.000 0.855 25 Q CA -0.250 55.471 55.803 -0.137 0.000 1.083 25 Q CB 1.005 29.676 28.738 -0.112 0.000 1.260 25 Q HN -0.132 nan 8.270 nan 0.000 0.427 26 S N 0.827 116.405 115.700 -0.204 0.000 2.600 26 S HA 0.516 4.986 4.470 0.000 0.000 0.300 26 S C -1.412 173.102 174.600 -0.142 0.000 1.087 26 S CA -0.559 57.517 58.200 -0.207 0.000 0.965 26 S CB 1.753 64.758 63.200 -0.325 0.000 1.089 26 S HN 0.408 nan 8.310 nan 0.000 0.496 27 D N 1.144 121.431 120.400 -0.187 0.000 2.429 27 D HA 0.345 4.985 4.640 0.000 0.000 0.255 27 D C -1.812 174.316 176.300 -0.288 0.000 1.257 27 D CA -1.606 52.294 54.000 -0.168 0.000 0.890 27 D CB 1.112 41.842 40.800 -0.116 0.000 1.267 27 D HN 0.109 nan 8.370 nan 0.000 0.521 28 P HA -0.142 nan 4.420 nan 0.000 0.221 28 P C 1.114 178.313 177.300 -0.169 0.000 1.145 28 P CA 0.625 63.436 63.100 -0.482 0.000 0.795 28 P CB 0.380 31.976 31.700 -0.173 0.000 0.775 29 S N -0.315 115.324 115.700 -0.102 0.000 2.419 29 S HA -0.163 4.307 4.470 0.000 0.000 0.235 29 S C 1.771 176.350 174.600 -0.036 0.000 1.019 29 S CA 1.081 59.256 58.200 -0.043 0.000 0.982 29 S CB -0.497 62.682 63.200 -0.034 0.000 0.789 29 S HN 0.352 nan 8.310 nan 0.000 0.490 30 Q N 0.040 119.800 119.800 -0.066 0.000 2.135 30 Q HA 0.201 4.541 4.340 0.000 0.000 0.231 30 Q C -0.775 175.205 176.000 -0.034 0.000 0.817 30 Q CA -0.090 55.691 55.803 -0.037 0.000 1.073 30 Q CB 0.036 28.752 28.738 -0.037 0.000 1.176 30 Q HN 0.355 nan 8.270 nan 0.000 0.478 31 Q N 0.005 119.773 119.800 -0.053 0.000 2.478 31 Q HA -0.224 4.116 4.340 0.000 0.000 0.286 31 Q C -0.922 175.049 176.000 -0.048 0.000 1.299 31 Q CA 0.672 56.499 55.803 0.040 0.000 0.826 31 Q CB -1.447 27.377 28.738 0.144 0.000 1.199 31 Q HN 0.480 nan 8.270 nan 0.000 0.451 32 Q N 0.672 120.288 119.800 -0.307 0.000 2.509 32 Q HA 0.348 4.688 4.340 0.000 0.000 0.236 32 Q C -1.255 174.538 176.000 -0.346 0.000 1.073 32 Q CA -0.184 55.497 55.803 -0.203 0.000 0.867 32 Q CB 0.639 29.292 28.738 -0.143 0.000 1.181 32 Q HN 0.187 nan 8.270 nan 0.000 0.526 33 Y N 0.641 121.004 120.300 0.105 0.000 2.331 33 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 33 Y C -0.039 175.902 175.900 0.068 0.000 0.976 33 Y CA -0.969 57.211 58.100 0.134 0.000 1.137 33 Y CB 1.247 39.874 38.460 0.279 0.000 1.172 33 Y HN 0.172 nan 8.280 nan 0.000 0.478 34 V N 5.525 125.398 119.914 -0.069 0.000 2.334 34 V HA 0.391 4.511 4.120 0.000 0.000 0.281 34 V C -0.560 175.374 176.094 -0.266 0.000 1.016 34 V CA -0.930 61.317 62.300 -0.089 0.000 0.832 34 V CB 0.170 31.902 31.823 -0.152 0.000 0.999 34 V HN 0.490 nan 8.190 nan 0.000 0.439 35 F N 2.292 122.284 119.950 0.069 0.000 2.497 35 F HA 0.860 5.387 4.527 -0.000 0.000 0.331 35 F C 0.484 176.343 175.800 0.097 0.000 1.060 35 F CA -0.828 57.228 58.000 0.094 0.000 0.989 35 F CB 1.822 40.910 39.000 0.147 0.000 1.245 35 F HN 0.498 nan 8.300 nan 0.000 0.486 36 A N 1.547 124.548 122.820 0.301 0.000 2.385 36 A HA 0.650 4.970 4.320 0.000 0.000 0.290 36 A C -1.891 175.826 177.584 0.222 0.000 1.094 36 A CA -0.608 51.542 52.037 0.188 0.000 0.729 36 A CB 0.106 19.136 19.000 0.051 0.000 1.194 36 A HN 0.652 nan 8.150 nan 0.000 0.442 37 Y N 0.025 120.344 120.300 0.032 0.000 2.360 37 Y HA 0.799 5.349 4.550 0.000 0.000 0.337 37 Y C -0.128 175.710 175.900 -0.103 0.000 1.039 37 Y CA -1.245 56.830 58.100 -0.041 0.000 1.109 37 Y CB 1.042 39.467 38.460 -0.059 0.000 1.201 37 Y HN 0.333 nan 8.280 nan 0.000 0.458 38 T N 4.635 119.122 114.554 -0.111 0.000 2.771 38 T HA 0.546 4.896 4.350 0.000 0.000 0.281 38 T C -0.500 174.081 174.700 -0.198 0.000 0.982 38 T CA -0.643 61.327 62.100 -0.218 0.000 0.978 38 T CB 1.002 69.793 68.868 -0.129 0.000 0.930 38 T HN 0.594 nan 8.240 nan 0.000 0.447 39 V N 4.127 123.834 119.914 -0.345 0.000 2.532 39 V HA 0.567 4.687 4.120 0.000 0.000 0.295 39 V C 0.335 176.388 176.094 -0.068 0.000 1.041 39 V CA -0.912 61.278 62.300 -0.184 0.000 0.926 39 V CB 1.596 33.278 31.823 -0.235 0.000 0.992 39 V HN 0.712 nan 8.190 nan 0.000 0.457 40 R N 3.645 124.177 120.500 0.053 0.000 2.467 40 R HA 0.548 4.888 4.340 0.000 0.000 0.299 40 R C -1.236 175.159 176.300 0.159 0.000 1.120 40 R CA -0.394 55.761 56.100 0.092 0.000 0.940 40 R CB 1.252 31.578 30.300 0.043 0.000 1.161 40 R HN 0.669 nan 8.270 nan 0.000 0.506 41 I N 2.342 123.047 120.570 0.225 0.000 2.365 41 I HA 0.272 4.442 4.170 0.000 0.000 0.291 41 I C 0.049 176.265 176.117 0.165 0.000 1.004 41 I CA -0.108 61.314 61.300 0.204 0.000 1.311 41 I CB 1.954 40.056 38.000 0.170 0.000 1.401 41 I HN 0.350 nan 8.210 nan 0.000 0.491 42 T N 5.187 119.821 114.554 0.134 0.000 2.879 42 T HA 0.170 4.520 4.350 0.000 0.000 0.290 42 T C -0.279 174.484 174.700 0.104 0.000 0.993 42 T CA -0.677 61.489 62.100 0.109 0.000 0.975 42 T CB 1.096 70.015 68.868 0.085 0.000 0.981 42 T HN 0.588 nan 8.240 nan 0.000 0.439 43 N N 2.216 120.975 118.700 0.099 0.000 2.405 43 N HA 0.090 4.830 4.740 0.000 0.000 0.260 43 N C 0.973 176.525 175.510 0.069 0.000 1.152 43 N CA -0.179 52.931 53.050 0.099 0.000 0.948 43 N CB 0.502 39.049 38.487 0.099 0.000 1.111 43 N HN 0.652 nan 8.380 nan 0.000 0.485 44 T N 0.019 114.611 114.554 0.064 0.000 3.085 44 T HA 0.269 4.619 4.350 0.000 0.000 0.264 44 T C 0.849 175.552 174.700 0.005 0.000 1.019 44 T CA -0.662 61.457 62.100 0.033 0.000 0.910 44 T CB 0.514 69.404 68.868 0.037 0.000 1.059 44 T HN 0.354 nan 8.240 nan 0.000 0.542 45 G N 1.010 109.813 108.800 0.005 0.000 2.531 45 G HA2 0.457 4.417 3.960 0.000 0.000 0.313 45 G HA3 0.457 4.417 3.960 0.000 0.000 0.313 45 G C 0.777 175.622 174.900 -0.091 0.000 1.238 45 G CA -0.240 44.830 45.100 -0.050 0.000 0.994 45 G HN 0.250 nan 8.290 nan 0.000 0.493 46 S N -1.375 114.221 115.700 -0.174 0.000 2.527 46 S HA 0.114 4.584 4.470 0.000 0.000 0.222 46 S C 0.454 174.768 174.600 -0.475 0.000 0.985 46 S CA 0.386 58.407 58.200 -0.299 0.000 0.921 46 S CB -0.218 62.769 63.200 -0.356 0.000 0.772 46 S HN 0.604 nan 8.310 nan 0.000 0.529 47 H N 0.566 119.513 119.070 -0.204 0.000 2.834 47 H HA 0.588 5.144 4.556 0.000 0.000 0.369 47 H C -2.978 172.379 175.328 0.049 0.000 1.174 47 H CA -2.003 53.979 56.048 -0.110 0.000 1.165 47 H CB 0.763 30.394 29.762 -0.217 0.000 1.820 47 H HN -0.026 nan 8.280 nan 0.000 0.558 48 P HA 0.375 nan 4.420 nan 0.000 0.272 48 P C -1.257 176.231 177.300 0.314 0.000 1.230 48 P CA -0.094 63.135 63.100 0.214 0.000 0.788 48 P CB 0.858 32.652 31.700 0.157 0.000 0.949 49 A N 1.281 124.245 122.820 0.240 0.000 2.594 49 A HA 0.596 4.916 4.320 0.000 0.000 0.295 49 A C -1.553 176.085 177.584 0.090 0.000 1.071 49 A CA -0.466 51.719 52.037 0.247 0.000 0.685 49 A CB 1.497 20.767 19.000 0.449 0.000 1.285 49 A HN 0.484 nan 8.150 nan 0.000 0.405 50 Q N 0.838 120.634 119.800 -0.006 0.000 2.365 50 Q HA 0.653 4.993 4.340 0.000 0.000 0.269 50 Q C -1.647 174.242 176.000 -0.184 0.000 1.061 50 Q CA -0.662 55.086 55.803 -0.091 0.000 0.816 50 Q CB 2.165 30.853 28.738 -0.084 0.000 1.325 50 Q HN 0.615 nan 8.270 nan 0.000 0.446 51 V N 5.601 125.373 119.914 -0.236 0.000 2.432 51 V HA 0.133 4.253 4.120 0.000 0.000 0.275 51 V C 0.610 176.553 176.094 -0.252 0.000 1.043 51 V CA -0.172 61.945 62.300 -0.304 0.000 0.925 51 V CB 1.010 32.557 31.823 -0.460 0.000 0.985 51 V HN 0.802 nan 8.190 nan 0.000 0.466 52 I N 2.972 123.424 120.570 -0.196 0.000 3.325 52 I HA 0.175 4.345 4.170 0.000 0.000 0.237 52 I C 1.169 177.233 176.117 -0.087 0.000 1.068 52 I CA 0.874 62.094 61.300 -0.133 0.000 1.511 52 I CB -0.424 37.510 38.000 -0.110 0.000 1.409 52 I HN 0.711 nan 8.210 nan 0.000 0.464 53 S N 2.321 118.015 115.700 -0.011 0.000 2.726 53 S HA 0.769 5.239 4.470 0.000 0.000 0.308 53 S C -0.287 174.390 174.600 0.129 0.000 1.115 53 S CA -0.772 57.458 58.200 0.050 0.000 0.965 53 S CB 2.815 66.050 63.200 0.059 0.000 1.145 53 S HN 0.416 nan 8.310 nan 0.000 0.532 54 R N 0.344 120.912 120.500 0.113 0.000 2.686 54 R HA 0.632 4.972 4.340 0.000 0.000 0.283 54 R C -1.790 174.481 176.300 -0.048 0.000 0.978 54 R CA -0.707 55.406 56.100 0.021 0.000 0.897 54 R CB 1.096 31.411 30.300 0.025 0.000 1.192 54 R HN 0.825 nan 8.270 nan 0.000 0.457 55 H N 2.383 121.227 119.070 -0.376 0.000 2.589 55 H HA 0.469 5.025 4.556 0.000 0.000 0.351 55 H C -1.796 173.314 175.328 -0.364 0.000 1.074 55 H CA -1.106 54.804 56.048 -0.230 0.000 1.203 55 H CB 1.145 30.863 29.762 -0.073 0.000 1.558 55 H HN 0.713 nan 8.280 nan 0.000 0.522 56 W N 5.682 126.865 121.300 -0.196 0.000 2.819 56 W HA 0.589 5.249 4.660 0.000 0.000 0.337 56 W C -0.777 175.528 176.519 -0.357 0.000 1.077 56 W CA -0.829 56.350 57.345 -0.276 0.000 1.226 56 W CB 1.877 31.288 29.460 -0.081 0.000 1.419 56 W HN 0.382 nan 8.180 nan 0.000 0.502 57 I N 5.729 126.298 120.570 -0.000 0.000 2.493 57 I HA 0.282 4.452 4.170 0.000 0.000 0.279 57 I C -0.369 175.668 176.117 -0.134 0.000 1.045 57 I CA -0.822 60.423 61.300 -0.091 0.000 1.106 57 I CB 0.820 38.739 38.000 -0.136 0.000 1.216 57 I HN 0.287 nan 8.210 nan 0.000 0.459 58 I N 4.054 124.545 120.570 -0.132 0.000 2.339 58 I HA 0.575 4.745 4.170 0.000 0.000 0.290 58 I C 0.151 176.176 176.117 -0.154 0.000 0.994 58 I CA -0.092 61.083 61.300 -0.209 0.000 1.191 58 I CB 1.719 39.587 38.000 -0.220 0.000 1.343 58 I HN 0.504 nan 8.210 nan 0.000 0.458 59 T N 1.348 115.791 114.554 -0.185 0.000 2.867 59 T HA 0.391 4.741 4.350 0.000 0.000 0.282 59 T C -0.260 174.355 174.700 -0.142 0.000 1.000 59 T CA -0.606 61.411 62.100 -0.138 0.000 1.042 59 T CB 1.819 70.607 68.868 -0.133 0.000 0.973 59 T HN 0.697 nan 8.240 nan 0.000 0.465 60 D N 0.948 121.289 120.400 -0.097 0.000 2.383 60 D HA 0.462 5.102 4.640 0.000 0.000 0.248 60 D C 1.646 177.890 176.300 -0.093 0.000 1.170 60 D CA 0.199 54.149 54.000 -0.084 0.000 0.977 60 D CB 0.708 41.481 40.800 -0.044 0.000 1.120 60 D HN 0.703 nan 8.370 nan 0.000 0.481 61 G N 0.211 108.956 108.800 -0.092 0.000 2.559 61 G HA2 -0.130 3.830 3.960 0.000 0.000 0.216 61 G HA3 -0.130 3.830 3.960 0.000 0.000 0.216 61 G C 0.695 175.555 174.900 -0.066 0.000 1.126 61 G CA 0.368 45.411 45.100 -0.095 0.000 0.778 61 G HN 0.394 nan 8.290 nan 0.000 0.543 62 E N -0.094 120.076 120.200 -0.050 0.000 2.569 62 E HA 0.160 4.510 4.350 0.000 0.000 0.205 62 E C 0.404 176.984 176.600 -0.033 0.000 1.006 62 E CA -0.285 56.094 56.400 -0.035 0.000 0.985 62 E CB 0.546 30.234 29.700 -0.019 0.000 1.060 62 E HN 0.371 nan 8.360 nan 0.000 0.460 63 E N 0.863 121.036 120.200 -0.045 0.000 2.868 63 E HA -0.218 4.132 4.350 0.000 0.000 0.278 63 E C -0.795 175.784 176.600 -0.034 0.000 1.009 63 E CA 0.443 56.817 56.400 -0.043 0.000 0.856 63 E CB -1.369 28.311 29.700 -0.034 0.000 1.428 63 E HN 0.134 nan 8.360 nan 0.000 0.423 64 R N 0.110 120.590 120.500 -0.033 0.000 2.235 64 R HA 0.376 4.716 4.340 0.000 0.000 0.338 64 R C -0.289 175.994 176.300 -0.028 0.000 1.087 64 R CA -0.461 55.626 56.100 -0.022 0.000 0.948 64 R CB 1.204 31.497 30.300 -0.011 0.000 1.099 64 R HN -0.061 nan 8.270 nan 0.000 0.483 65 V N 3.527 123.428 119.914 -0.022 0.000 2.775 65 V HA 0.127 4.247 4.120 0.000 0.000 0.299 65 V C 0.253 176.344 176.094 -0.006 0.000 1.062 65 V CA -0.282 62.005 62.300 -0.023 0.000 1.063 65 V CB 1.302 33.116 31.823 -0.015 0.000 0.994 65 V HN 0.712 nan 8.190 nan 0.000 0.483 66 Q N 2.576 122.372 119.800 -0.007 0.000 2.315 66 Q HA 0.595 4.935 4.340 0.000 0.000 0.273 66 Q C -1.298 174.724 176.000 0.037 0.000 1.053 66 Q CA -0.599 55.214 55.803 0.017 0.000 0.817 66 Q CB 3.070 31.814 28.738 0.010 0.000 1.326 66 Q HN 0.743 nan 8.270 nan 0.000 0.423 67 E N 0.969 121.216 120.200 0.078 0.000 2.256 67 E HA 0.667 5.017 4.350 0.000 0.000 0.267 67 E C -1.280 175.424 176.600 0.173 0.000 0.892 67 E CA -0.852 55.630 56.400 0.137 0.000 0.775 67 E CB 2.667 32.482 29.700 0.192 0.000 1.207 67 E HN 0.183 nan 8.360 nan 0.000 0.420 68 V N 2.505 122.570 119.914 0.251 0.000 2.709 68 V HA 0.526 4.646 4.120 0.000 0.000 0.308 68 V C -0.459 175.825 176.094 0.316 0.000 1.062 68 V CA -0.704 61.760 62.300 0.274 0.000 0.901 68 V CB 1.934 33.962 31.823 0.341 0.000 1.003 68 V HN 0.583 nan 8.190 nan 0.000 0.425 69 R N 1.795 122.427 120.500 0.220 0.000 2.673 69 R HA 0.819 5.159 4.340 0.000 0.000 0.281 69 R C -0.241 176.127 176.300 0.113 0.000 0.991 69 R CA -0.457 55.740 56.100 0.163 0.000 0.896 69 R CB 2.571 32.919 30.300 0.080 0.000 1.201 69 R HN 0.996 nan 8.270 nan 0.000 0.457 70 G N 1.594 110.447 108.800 0.090 0.000 2.489 70 G HA2 0.408 4.368 3.960 0.000 0.000 0.305 70 G HA3 0.408 4.368 3.960 0.000 0.000 0.305 70 G C -1.899 173.025 174.900 0.040 0.000 1.311 70 G CA -0.787 44.352 45.100 0.066 0.000 0.813 70 G HN 0.294 nan 8.290 nan 0.000 0.480 71 L N 0.757 121.992 121.223 0.021 0.000 2.329 71 L HA 0.682 5.022 4.340 0.000 0.000 0.279 71 L C 1.004 177.860 176.870 -0.023 0.000 1.014 71 L CA 0.116 54.951 54.840 -0.008 0.000 0.814 71 L CB 1.352 43.398 42.059 -0.023 0.000 1.257 71 L HN 1.556 nan 8.230 nan 0.000 0.424 72 G N 1.845 110.610 108.800 -0.058 0.000 2.888 72 G HA2 -0.093 3.867 3.960 0.000 0.000 0.441 72 G HA3 -0.093 3.867 3.960 0.000 0.000 0.441 72 G C -0.690 174.138 174.900 -0.119 0.000 1.461 72 G CA -0.354 44.677 45.100 -0.116 0.000 0.897 72 G HN 0.908 nan 8.290 nan 0.000 0.547 73 V N -2.663 117.112 119.914 -0.233 0.000 2.378 73 V HA 0.736 4.856 4.120 0.000 0.000 0.288 73 V C 1.319 177.241 176.094 -0.286 0.000 1.016 73 V CA 0.091 62.201 62.300 -0.316 0.000 0.840 73 V CB 1.069 32.624 31.823 -0.447 0.000 0.994 73 V HN 2.649 nan 8.190 nan 0.000 0.431 74 V N 4.900 124.655 119.914 -0.264 0.000 5.949 74 V HA -0.182 3.938 4.120 0.000 0.000 0.287 74 V C 1.590 177.663 176.094 -0.035 0.000 0.603 74 V CA 1.791 64.013 62.300 -0.130 0.000 0.608 74 V CB -0.978 30.760 31.823 -0.142 0.000 0.259 74 V HN 2.903 nan 8.190 nan 0.000 0.742 75 G N 1.169 109.946 108.800 -0.037 0.000 2.203 75 G HA2 -0.270 3.690 3.960 0.000 0.000 0.263 75 G HA3 -0.270 3.690 3.960 0.000 0.000 0.263 75 G C -0.030 174.854 174.900 -0.026 0.000 1.012 75 G CA 0.962 46.050 45.100 -0.020 0.000 0.749 75 G HN 1.320 nan 8.290 nan 0.000 0.512 76 Q N -1.344 118.420 119.800 -0.061 0.000 2.501 76 Q HA 0.542 4.882 4.340 0.000 0.000 0.288 76 Q C -0.512 175.377 176.000 -0.186 0.000 1.051 76 Q CA -0.657 55.097 55.803 -0.081 0.000 0.788 76 Q CB 1.468 30.201 28.738 -0.009 0.000 1.469 76 Q HN 0.470 nan 8.270 nan 0.000 0.416 77 Q N 1.455 121.148 119.800 -0.179 0.000 3.244 77 Q HA 0.300 4.640 4.340 0.000 0.000 0.249 77 Q C -2.433 173.443 176.000 -0.207 0.000 0.951 77 Q CA -1.512 54.159 55.803 -0.220 0.000 0.740 77 Q CB 1.780 30.430 28.738 -0.148 0.000 1.334 77 Q HN 0.248 nan 8.270 nan 0.000 0.448 78 P HA -0.029 nan 4.420 nan 0.000 0.268 78 P C -0.515 176.707 177.300 -0.129 0.000 1.204 78 P CA -0.062 62.920 63.100 -0.197 0.000 0.768 78 P CB 1.233 32.756 31.700 -0.294 0.000 0.842 79 L N 5.219 126.414 121.223 -0.046 0.000 2.270 79 L HA 0.293 4.633 4.340 0.000 0.000 0.286 79 L C -0.209 176.676 176.870 0.026 0.000 1.059 79 L CA -0.775 54.060 54.840 -0.008 0.000 0.839 79 L CB -0.044 42.020 42.059 0.009 0.000 1.221 79 L HN 0.318 nan 8.230 nan 0.000 0.431 80 L N 4.800 126.045 121.223 0.036 0.000 2.281 80 L HA 0.414 4.754 4.340 0.000 0.000 0.285 80 L C 0.759 177.678 176.870 0.082 0.000 1.074 80 L CA -0.331 54.550 54.840 0.067 0.000 0.817 80 L CB 1.327 43.429 42.059 0.072 0.000 1.168 80 L HN 0.607 nan 8.230 nan 0.000 0.434 81 A N 6.517 129.380 122.820 0.071 0.000 2.366 81 A HA 0.467 4.787 4.320 0.000 0.000 0.249 81 A C -2.188 175.430 177.584 0.056 0.000 1.084 81 A CA -1.249 50.826 52.037 0.063 0.000 0.794 81 A CB -0.320 18.708 19.000 0.046 0.000 1.034 81 A HN 0.505 nan 8.150 nan 0.000 0.491 82 P HA 0.138 nan 4.420 nan 0.000 0.263 82 P C 0.856 178.167 177.300 0.019 0.000 1.195 82 P CA 1.653 64.765 63.100 0.020 0.000 0.762 82 P CB 0.659 32.343 31.700 -0.028 0.000 0.799 83 G N 2.547 111.365 108.800 0.029 0.000 2.258 83 G HA2 -0.193 3.767 3.960 0.000 0.000 0.233 83 G HA3 -0.193 3.767 3.960 0.000 0.000 0.233 83 G C 0.096 175.021 174.900 0.041 0.000 1.006 83 G CA 0.289 45.406 45.100 0.028 0.000 0.620 83 G HN 0.716 nan 8.290 nan 0.000 0.511 84 E N 0.729 120.961 120.200 0.053 0.000 2.312 84 E HA 0.643 4.993 4.350 0.000 0.000 0.259 84 E C 0.206 176.859 176.600 0.088 0.000 1.122 84 E CA -0.036 56.403 56.400 0.065 0.000 0.922 84 E CB 1.121 30.862 29.700 0.069 0.000 1.109 84 E HN 0.571 nan 8.360 nan 0.000 0.442 85 T N -1.369 113.244 114.554 0.099 0.000 2.901 85 T HA 0.598 4.948 4.350 0.000 0.000 0.293 85 T C -1.175 173.641 174.700 0.193 0.000 1.084 85 T CA -0.906 61.272 62.100 0.131 0.000 1.008 85 T CB 1.116 70.037 68.868 0.088 0.000 1.170 85 T HN 0.490 nan 8.240 nan 0.000 0.509 86 F N 1.537 121.520 119.950 0.054 0.000 2.562 86 F HA 0.593 5.120 4.527 0.000 0.000 0.319 86 F C -0.977 174.890 175.800 0.113 0.000 1.154 86 F CA -0.667 57.377 58.000 0.072 0.000 0.931 86 F CB 1.614 40.647 39.000 0.056 0.000 1.198 86 F HN 0.980 nan 8.300 nan 0.000 0.444 87 E N 6.069 126.156 120.200 -0.188 0.000 2.308 87 E HA 0.543 4.893 4.350 0.000 0.000 0.275 87 E C -2.062 174.487 176.600 -0.085 0.000 0.890 87 E CA -0.733 55.647 56.400 -0.032 0.000 0.754 87 E CB 2.412 32.091 29.700 -0.035 0.000 1.207 87 E HN 0.630 nan 8.360 nan 0.000 0.426 88 Y N -0.545 119.710 120.300 -0.076 0.000 2.644 88 Y HA 0.791 5.341 4.550 0.000 0.000 0.338 88 Y C -1.009 174.852 175.900 -0.066 0.000 1.119 88 Y CA -0.821 57.232 58.100 -0.078 0.000 1.060 88 Y CB 1.965 40.432 38.460 0.011 0.000 1.294 88 Y HN 0.564 nan 8.280 nan 0.000 0.472 89 T N -0.299 114.223 114.554 -0.053 0.000 2.921 89 T HA 0.655 5.005 4.350 0.000 0.000 0.297 89 T C -1.134 173.469 174.700 -0.162 0.000 1.013 89 T CA -0.404 61.544 62.100 -0.253 0.000 0.990 89 T CB 1.468 70.239 68.868 -0.162 0.000 1.023 89 T HN 0.989 nan 8.240 nan 0.000 0.447 90 S N 1.736 117.145 115.700 -0.485 0.000 2.671 90 S HA 0.891 5.361 4.470 0.000 0.000 0.299 90 S C 0.298 174.749 174.600 -0.249 0.000 1.116 90 S CA -0.313 57.716 58.200 -0.284 0.000 0.912 90 S CB 1.325 64.457 63.200 -0.112 0.000 1.130 90 S HN 1.284 nan 8.310 nan 0.000 0.501 91 G N -0.148 108.685 108.800 0.055 0.000 2.437 91 G HA2 0.550 4.510 3.960 0.000 0.000 0.319 91 G HA3 0.550 4.510 3.960 0.000 0.000 0.319 91 G C -1.075 174.002 174.900 0.295 0.000 1.158 91 G CA -0.445 44.760 45.100 0.175 0.000 0.899 91 G HN 0.831 nan 8.290 nan 0.000 0.502 92 C N 3.718 123.184 119.300 0.278 0.000 2.571 92 C HA 0.656 5.116 4.460 0.000 0.000 0.343 92 C C -2.529 172.596 174.990 0.225 0.000 1.082 92 C CA -1.679 57.450 59.018 0.185 0.000 1.339 92 C CB 1.186 28.957 27.740 0.053 0.000 1.893 92 C HN 0.590 nan 8.230 nan 0.000 0.445 93 P HA 0.585 nan 4.420 nan 0.000 0.286 93 P C -1.309 176.106 177.300 0.191 0.000 1.261 93 P CA -0.211 63.002 63.100 0.188 0.000 0.821 93 P CB 1.500 33.272 31.700 0.120 0.000 1.013 94 L N 3.594 124.985 121.223 0.280 0.000 2.466 94 L HA 0.380 4.720 4.340 0.000 0.000 0.258 94 L C -1.886 175.189 176.870 0.341 0.000 0.973 94 L CA -1.898 53.091 54.840 0.248 0.000 0.826 94 L CB 3.558 45.751 42.059 0.223 0.000 1.372 94 L HN 0.155 nan 8.230 nan 0.000 0.409 95 P HA 0.025 nan 4.420 nan 0.000 0.255 95 P C 0.156 177.653 177.300 0.328 0.000 1.248 95 P CA 0.367 63.640 63.100 0.288 0.000 0.807 95 P CB 0.381 32.170 31.700 0.148 0.000 1.150 96 T N -3.744 110.868 114.554 0.096 0.000 2.908 96 T HA 0.443 4.793 4.350 0.000 0.000 0.290 96 T C -2.198 172.030 174.700 -0.787 0.000 1.034 96 T CA -2.306 59.649 62.100 -0.241 0.000 1.010 96 T CB 2.325 71.111 68.868 -0.137 0.000 1.068 96 T HN -0.261 nan 8.240 nan 0.000 0.481 97 P HA 0.141 nan 4.420 nan 0.000 0.230 97 P C 0.497 177.668 177.300 -0.216 0.000 1.158 97 P CA 0.405 62.958 63.100 -0.911 0.000 0.769 97 P CB -0.198 31.145 31.700 -0.596 0.000 0.807 98 I N -4.600 115.845 120.570 -0.209 0.000 2.865 98 I HA 0.899 5.069 4.170 0.000 0.000 0.302 98 I C -0.668 175.320 176.117 -0.215 0.000 1.140 98 I CA -1.082 60.120 61.300 -0.164 0.000 1.021 98 I CB 2.425 40.347 38.000 -0.130 0.000 1.233 98 I HN -0.121 nan 8.210 nan 0.000 0.427 99 G N 1.477 110.108 108.800 -0.282 0.000 2.451 99 G HA2 0.546 4.506 3.960 0.000 0.000 0.292 99 G HA3 0.546 4.506 3.960 0.000 0.000 0.292 99 G C -1.144 173.543 174.900 -0.354 0.000 1.427 99 G CA -0.055 44.872 45.100 -0.290 0.000 0.792 99 G HN 0.993 nan 8.290 nan 0.000 0.498 103 G N 0.301 109.157 108.800 0.093 0.000 2.561 103 G HA2 0.632 4.592 3.960 0.000 0.000 0.310 103 G HA3 0.632 4.592 3.960 0.000 0.000 0.310 103 G C -1.595 173.101 174.900 -0.339 0.000 1.292 103 G CA -0.483 44.504 45.100 -0.189 0.000 0.811 103 G HN 0.598 nan 8.290 nan 0.000 0.482 104 T N -0.182 114.069 114.554 -0.505 0.000 2.933 104 T HA 0.579 4.929 4.350 0.000 0.000 0.305 104 T C -1.882 172.498 174.700 -0.534 0.000 1.092 104 T CA -0.265 61.572 62.100 -0.440 0.000 1.008 104 T CB 1.644 70.326 68.868 -0.308 0.000 1.102 104 T HN 0.353 nan 8.240 nan 0.000 0.469 105 Y N 2.037 122.103 120.300 -0.391 0.000 2.352 105 Y HA 0.401 4.951 4.550 0.000 0.000 0.339 105 Y C 0.602 176.246 175.900 -0.428 0.000 0.992 105 Y CA -1.016 56.884 58.100 -0.333 0.000 1.100 105 Y CB 0.938 39.282 38.460 -0.195 0.000 1.192 105 Y HN 0.574 nan 8.280 nan 0.000 0.458 106 H N 2.989 122.056 119.070 -0.005 0.000 2.552 106 H HA 0.459 5.015 4.556 0.000 0.000 0.311 106 H C -0.534 174.648 175.328 -0.243 0.000 1.071 106 H CA -0.191 55.783 56.048 -0.123 0.000 1.307 106 H CB 0.940 30.641 29.762 -0.102 0.000 1.416 106 H HN 0.652 nan 8.280 nan 0.000 0.464 107 C N 2.273 121.344 119.300 -0.382 0.000 3.028 107 C HA 0.737 5.197 4.460 0.000 0.000 0.338 107 C C 0.030 174.591 174.990 -0.715 0.000 1.366 107 C CA -0.848 57.806 59.018 -0.606 0.000 1.610 107 C CB 1.795 29.012 27.740 -0.872 0.000 2.063 107 C HN 0.689 nan 8.230 nan 0.000 0.463 108 V N -0.860 118.716 119.914 -0.563 0.000 2.851 108 V HA 0.868 4.988 4.120 0.000 0.000 0.307 108 V C -0.046 175.969 176.094 -0.133 0.000 1.129 108 V CA -0.120 61.987 62.300 -0.321 0.000 0.932 108 V CB 0.802 32.512 31.823 -0.188 0.000 1.024 108 V HN 1.257 nan 8.190 nan 0.000 0.426 109 G N 2.259 110.978 108.800 -0.135 0.000 2.634 109 G HA2 0.429 4.389 3.960 0.000 0.000 0.255 109 G HA3 0.429 4.389 3.960 0.000 0.000 0.255 109 G C 0.586 175.411 174.900 -0.126 0.000 1.205 109 G CA 0.223 45.109 45.100 -0.358 0.000 0.884 109 G HN 1.238 nan 8.290 nan 0.000 0.549 110 E N -0.607 119.659 120.200 0.109 0.000 2.338 110 E HA -0.160 4.190 4.350 0.000 0.000 0.197 110 E C 1.326 177.948 176.600 0.037 0.000 1.007 110 E CA 1.094 57.555 56.400 0.102 0.000 0.849 110 E CB -0.148 29.661 29.700 0.181 0.000 0.774 110 E HN 0.478 nan 8.360 nan 0.000 0.506 111 N N 0.565 119.263 118.700 -0.005 0.000 2.434 111 N HA 0.037 4.777 4.740 0.000 0.000 0.196 111 N C 1.305 176.775 175.510 -0.067 0.000 1.183 111 N CA 0.765 53.802 53.050 -0.022 0.000 0.849 111 N CB 0.372 38.861 38.487 0.003 0.000 0.992 111 N HN 0.353 nan 8.380 nan 0.000 0.460 112 G N 0.856 109.603 108.800 -0.087 0.000 2.328 112 G HA2 -0.342 3.618 3.960 0.000 0.000 0.256 112 G HA3 -0.342 3.618 3.960 0.000 0.000 0.256 112 G C 0.262 175.105 174.900 -0.095 0.000 1.014 112 G CA 0.453 45.505 45.100 -0.080 0.000 0.620 112 G HN 0.730 nan 8.290 nan 0.000 0.530 113 I N 1.077 121.577 120.570 -0.116 0.000 2.587 113 I HA 0.478 4.648 4.170 0.000 0.000 0.284 113 I C -1.380 174.703 176.117 -0.057 0.000 1.134 113 I CA -1.889 59.363 61.300 -0.080 0.000 1.410 113 I CB 0.585 38.546 38.000 -0.066 0.000 1.392 113 I HN 0.019 nan 8.210 nan 0.000 0.545 114 P HA 0.336 nan 4.420 nan 0.000 0.274 114 P C -1.021 176.339 177.300 0.100 0.000 1.237 114 P CA 0.074 63.145 63.100 -0.047 0.000 0.793 114 P CB 0.955 32.617 31.700 -0.064 0.000 0.977 115 F N -2.636 117.296 119.950 -0.030 0.000 2.693 115 F HA 0.576 5.103 4.527 0.000 0.000 0.309 115 F C -1.252 174.566 175.800 0.030 0.000 1.129 115 F CA -1.212 56.789 58.000 0.001 0.000 0.948 115 F CB 1.220 40.214 39.000 -0.011 0.000 1.315 115 F HN 0.164 nan 8.300 nan 0.000 0.447 116 E N 1.270 121.621 120.200 0.251 0.000 2.179 116 E HA 0.545 4.895 4.350 0.000 0.000 0.275 116 E C -1.542 175.177 176.600 0.198 0.000 0.945 116 E CA -1.287 55.166 56.400 0.088 0.000 0.792 116 E CB 2.886 32.605 29.700 0.031 0.000 1.125 116 E HN 0.601 nan 8.360 nan 0.000 0.397 117 V N 5.562 125.540 119.914 0.108 0.000 2.304 117 V HA 0.324 4.444 4.120 0.000 0.000 0.278 117 V C -2.386 173.738 176.094 0.050 0.000 1.018 117 V CA -2.391 60.010 62.300 0.167 0.000 0.814 117 V CB 1.161 33.140 31.823 0.260 0.000 1.021 117 V HN 0.535 nan 8.190 nan 0.000 0.440 118 P HA 0.248 nan 4.420 nan 0.000 0.271 118 P C -0.563 176.730 177.300 -0.012 0.000 1.218 118 P CA 0.035 63.121 63.100 -0.023 0.000 0.780 118 P CB 1.165 32.870 31.700 0.008 0.000 0.901 119 I N 1.926 122.464 120.570 -0.054 0.000 2.359 119 I HA 0.290 4.460 4.170 0.000 0.000 0.284 119 I C 0.872 177.053 176.117 0.107 0.000 1.018 119 I CA -1.024 60.290 61.300 0.024 0.000 1.173 119 I CB 1.176 39.157 38.000 -0.032 0.000 1.326 119 I HN 0.346 nan 8.210 nan 0.000 0.462 120 A N 5.520 128.412 122.820 0.120 0.000 2.567 120 A HA -0.041 4.279 4.320 0.000 0.000 0.240 120 A C 0.576 178.276 177.584 0.194 0.000 1.053 120 A CA 0.111 52.221 52.037 0.122 0.000 0.755 120 A CB 0.024 19.087 19.000 0.105 0.000 0.978 120 A HN 0.818 nan 8.150 nan 0.000 0.507 121 E N 1.736 121.984 120.200 0.080 0.000 2.415 121 E HA 0.318 4.668 4.350 0.000 0.000 0.260 121 E C -0.612 176.009 176.600 0.035 0.000 1.016 121 E CA -0.005 56.380 56.400 -0.026 0.000 0.924 121 E CB 0.082 29.730 29.700 -0.086 0.000 0.961 121 E HN 0.495 nan 8.360 nan 0.000 0.459 122 F N 2.720 122.621 119.950 -0.082 0.000 2.618 122 F HA 0.552 5.079 4.527 0.000 0.000 0.332 122 F C -1.057 174.669 175.800 -0.125 0.000 1.061 122 F CA -1.535 56.414 58.000 -0.086 0.000 0.974 122 F CB 0.454 39.409 39.000 -0.076 0.000 1.310 122 F HN 0.159 nan 8.300 nan 0.000 0.491 123 L N 1.338 122.596 121.223 0.058 0.000 2.379 123 L HA 0.709 5.049 4.340 0.000 0.000 0.269 123 L C -1.137 175.704 176.870 -0.048 0.000 1.084 123 L CA -0.907 53.891 54.840 -0.069 0.000 0.802 123 L CB 1.048 43.088 42.059 -0.030 0.000 1.175 123 L HN 0.514 nan 8.230 nan 0.000 0.448 124 L N 2.350 123.437 121.223 -0.226 0.000 2.406 124 L HA 0.918 5.258 4.340 0.000 0.000 0.272 124 L C -0.163 176.522 176.870 -0.307 0.000 0.980 124 L CA 0.108 54.723 54.840 -0.376 0.000 0.831 124 L CB 1.721 43.242 42.059 -0.896 0.000 1.253 124 L HN 0.932 nan 8.230 nan 0.000 0.406 127 P HA 0.000 nan 4.420 nan 0.000 0.216 127 P CA 0.000 63.122 63.100 0.037 0.000 0.800 127 P CB 0.000 31.730 31.700 0.051 0.000 0.726