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 2rf4_1_F DATA FIRST_RESID 17 DATA SEQUENCE NTPVVIHATQ LPQHVSTDEV LQFLESFIDE KENIIDXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XIDTNLSSSI SQLKRIQRDF KGLPP 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 17 N HA 0.000 nan 4.740 nan 0.000 0.220 17 N C 0.000 175.508 175.510 -0.004 0.000 1.280 17 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 17 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 18 T N 2.772 117.324 114.554 -0.003 0.000 3.182 18 T HA 0.129 4.479 4.350 -0.000 0.000 0.274 18 T C -1.728 172.967 174.700 -0.007 0.000 0.997 18 T CA -0.904 61.194 62.100 -0.004 0.000 1.082 18 T CB -0.257 68.610 68.868 -0.002 0.000 1.005 18 T HN 0.146 nan 8.240 nan 0.000 0.688 19 P HA 0.099 nan 4.420 nan 0.000 0.262 19 P C -0.318 176.970 177.300 -0.020 0.000 1.182 19 P CA -0.239 62.852 63.100 -0.015 0.000 0.761 19 P CB 0.772 32.461 31.700 -0.017 0.000 0.795 20 V N 5.059 124.959 119.914 -0.024 0.000 2.472 20 V HA 0.277 4.397 4.120 -0.000 0.000 0.290 20 V C 0.030 176.093 176.094 -0.053 0.000 1.037 20 V CA -0.755 61.527 62.300 -0.029 0.000 0.908 20 V CB 1.675 33.484 31.823 -0.022 0.000 0.985 20 V HN 0.425 nan 8.190 nan 0.000 0.454 21 V N 6.146 126.020 119.914 -0.067 0.000 2.498 21 V HA 0.602 4.721 4.120 -0.000 0.000 0.279 21 V C -0.069 175.925 176.094 -0.168 0.000 1.048 21 V CA -0.424 61.797 62.300 -0.132 0.000 0.967 21 V CB 0.844 32.586 31.823 -0.135 0.000 0.988 21 V HN 0.694 nan 8.190 nan 0.000 0.473 22 I N 4.307 124.738 120.570 -0.232 0.000 2.433 22 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 22 I C -0.578 175.367 176.117 -0.286 0.000 1.001 22 I CA -0.381 60.809 61.300 -0.183 0.000 1.119 22 I CB 1.675 39.615 38.000 -0.100 0.000 1.289 22 I HN 0.721 nan 8.210 nan 0.000 0.438 23 H N 3.723 122.785 119.070 -0.012 0.000 2.589 23 H HA 0.603 5.159 4.556 -0.000 0.000 0.351 23 H C -0.277 175.041 175.328 -0.016 0.000 1.074 23 H CA -0.700 55.341 56.048 -0.013 0.000 1.203 23 H CB 1.924 31.680 29.762 -0.010 0.000 1.558 23 H HN 0.727 nan 8.280 nan 0.000 0.522 24 A N 1.659 124.553 122.820 0.124 0.000 2.401 24 A HA 0.228 4.548 4.320 -0.000 0.000 0.259 24 A C 1.166 178.777 177.584 0.044 0.000 1.103 24 A CA 0.104 52.172 52.037 0.052 0.000 0.789 24 A CB 0.085 19.102 19.000 0.029 0.000 1.035 24 A HN 0.923 nan 8.150 nan 0.000 0.491 25 T N -0.909 113.657 114.554 0.020 0.000 3.023 25 T HA 0.318 4.668 4.350 -0.000 0.000 0.253 25 T C 0.440 175.137 174.700 -0.004 0.000 1.038 25 T CA 0.024 62.127 62.100 0.006 0.000 0.962 25 T CB 0.141 69.012 68.868 0.005 0.000 1.018 25 T HN 0.604 nan 8.240 nan 0.000 0.521 26 Q N 0.143 119.940 119.800 -0.006 0.000 2.626 26 Q HA 0.542 4.882 4.340 -0.000 0.000 0.300 26 Q C -1.580 174.415 176.000 -0.010 0.000 0.988 26 Q CA -0.856 54.941 55.803 -0.010 0.000 0.761 26 Q CB 2.426 31.154 28.738 -0.016 0.000 1.494 26 Q HN 0.359 nan 8.270 nan 0.000 0.439 27 L N 1.563 122.780 121.223 -0.009 0.000 2.325 27 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 27 L C -2.074 174.787 176.870 -0.015 0.000 1.054 27 L CA -1.497 53.339 54.840 -0.007 0.000 0.804 27 L CB 1.165 43.225 42.059 0.002 0.000 1.200 27 L HN 0.330 nan 8.230 nan 0.000 0.436 28 P HA 0.018 nan 4.420 nan 0.000 0.258 28 P C -1.500 175.778 177.300 -0.037 0.000 1.172 28 P CA 0.296 63.364 63.100 -0.054 0.000 0.762 28 P CB 0.418 32.079 31.700 -0.064 0.000 0.764 29 Q N 2.357 122.120 119.800 -0.061 0.000 2.293 29 Q HA 0.219 4.559 4.340 -0.000 0.000 0.261 29 Q C -0.573 175.391 176.000 -0.060 0.000 0.960 29 Q CA -0.437 55.355 55.803 -0.017 0.000 0.882 29 Q CB 0.694 29.420 28.738 -0.019 0.000 1.275 29 Q HN 0.465 nan 8.270 nan 0.000 0.445 30 H N 1.694 120.747 119.070 -0.029 0.000 2.683 30 H HA 0.252 4.808 4.556 -0.000 0.000 0.339 30 H C -0.533 174.778 175.328 -0.027 0.000 1.081 30 H CA -0.040 55.993 56.048 -0.026 0.000 1.432 30 H CB 1.346 31.102 29.762 -0.009 0.000 1.462 30 H HN 0.500 nan 8.280 nan 0.000 0.557 31 V N 3.251 123.178 119.914 0.023 0.000 2.612 31 V HA 0.304 4.424 4.120 -0.000 0.000 0.301 31 V C 0.396 176.519 176.094 0.049 0.000 1.046 31 V CA -0.604 61.698 62.300 0.004 0.000 0.946 31 V CB 1.627 33.406 31.823 -0.073 0.000 1.003 31 V HN 0.897 nan 8.190 nan 0.000 0.459 32 S N 3.146 118.874 115.700 0.047 0.000 2.600 32 S HA 0.080 4.550 4.470 -0.000 0.000 0.265 32 S C 1.356 176.009 174.600 0.088 0.000 1.325 32 S CA 0.575 58.817 58.200 0.070 0.000 1.002 32 S CB 0.988 64.222 63.200 0.055 0.000 0.921 32 S HN 1.343 nan 8.310 nan 0.000 0.554 33 T N -0.480 114.155 114.554 0.135 0.000 2.897 33 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 33 T C 1.233 176.027 174.700 0.156 0.000 1.084 33 T CA 1.894 64.126 62.100 0.220 0.000 1.123 33 T CB -0.739 68.275 68.868 0.243 0.000 0.865 33 T HN 0.702 nan 8.240 nan 0.000 0.496 34 D N 0.222 120.681 120.400 0.097 0.000 2.305 34 D HA 0.027 4.667 4.640 -0.000 0.000 0.206 34 D C 2.028 178.356 176.300 0.048 0.000 0.974 34 D CA 0.666 54.709 54.000 0.072 0.000 0.871 34 D CB 0.020 40.855 40.800 0.059 0.000 0.947 34 D HN 0.649 nan 8.370 nan 0.000 0.516 35 E N -0.181 120.042 120.200 0.037 0.000 2.230 35 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 35 E C 2.058 178.676 176.600 0.031 0.000 0.987 35 E CA 0.146 56.564 56.400 0.030 0.000 0.841 35 E CB 0.501 30.209 29.700 0.014 0.000 0.783 35 E HN 0.066 nan 8.360 nan 0.000 0.481 36 V N 1.067 120.968 119.914 -0.022 0.000 2.323 36 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 36 V C 2.054 178.111 176.094 -0.063 0.000 1.041 36 V CA 1.160 63.409 62.300 -0.084 0.000 1.025 36 V CB -0.083 31.531 31.823 -0.348 0.000 0.656 36 V HN 0.191 nan 8.190 nan 0.000 0.451 37 L N 0.323 121.498 121.223 -0.080 0.000 2.187 37 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 37 L C 2.485 179.356 176.870 0.001 0.000 1.100 37 L CA 2.597 57.419 54.840 -0.030 0.000 0.765 37 L CB -0.684 41.402 42.059 0.046 0.000 0.904 37 L HN 0.576 nan 8.230 nan 0.000 0.437 38 Q N -2.108 117.712 119.800 0.033 0.000 2.250 38 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 38 Q C 2.175 178.210 176.000 0.058 0.000 0.941 38 Q CA 0.890 56.717 55.803 0.040 0.000 0.872 38 Q CB -0.184 28.585 28.738 0.052 0.000 0.965 38 Q HN 0.481 nan 8.270 nan 0.000 0.480 39 F N 0.891 120.818 119.950 -0.040 0.000 2.146 39 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 39 F C 1.413 177.223 175.800 0.016 0.000 1.096 39 F CA 1.259 59.242 58.000 -0.028 0.000 1.275 39 F CB -0.245 38.703 39.000 -0.086 0.000 1.008 39 F HN 0.047 nan 8.300 nan 0.000 0.480 40 L N 0.099 121.084 121.223 -0.396 0.000 1.994 40 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 40 L C 2.574 179.294 176.870 -0.249 0.000 1.071 40 L CA 1.776 56.348 54.840 -0.447 0.000 0.745 40 L CB -0.939 41.013 42.059 -0.179 0.000 0.892 40 L HN 0.122 nan 8.230 nan 0.000 0.431 41 E N 0.114 120.234 120.200 -0.132 0.000 2.086 41 E HA -0.284 4.066 4.350 -0.000 0.000 0.200 41 E C 2.307 178.851 176.600 -0.094 0.000 1.012 41 E CA 1.993 58.343 56.400 -0.082 0.000 0.812 41 E CB -0.281 29.395 29.700 -0.040 0.000 0.743 41 E HN 0.277 nan 8.360 nan 0.000 0.453 42 S N -1.820 113.823 115.700 -0.095 0.000 2.461 42 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 42 S C 1.665 176.216 174.600 -0.081 0.000 1.005 42 S CA 0.733 58.893 58.200 -0.066 0.000 0.942 42 S CB -0.404 62.791 63.200 -0.007 0.000 0.776 42 S HN 0.434 nan 8.310 nan 0.000 0.514 43 F N 0.838 120.570 119.950 -0.364 0.000 2.446 43 F HA 0.363 4.890 4.527 -0.000 0.000 0.292 43 F C 1.549 177.203 175.800 -0.244 0.000 1.096 43 F CA 0.353 58.139 58.000 -0.357 0.000 1.438 43 F CB -0.015 38.560 39.000 -0.708 0.000 1.107 43 F HN 0.164 nan 8.300 nan 0.000 0.546 44 I N 0.541 120.960 120.570 -0.252 0.000 2.141 44 I HA -0.276 3.894 4.170 -0.000 0.000 0.236 44 I C 2.450 178.415 176.117 -0.253 0.000 1.071 44 I CA 1.798 62.946 61.300 -0.253 0.000 1.345 44 I CB -0.639 37.292 38.000 -0.115 0.000 1.066 44 I HN 0.186 nan 8.210 nan 0.000 0.406 45 D N 0.932 121.230 120.400 -0.170 0.000 2.149 45 D HA -0.311 4.329 4.640 -0.000 0.000 0.194 45 D C 1.940 178.147 176.300 -0.155 0.000 1.001 45 D CA 1.974 55.896 54.000 -0.130 0.000 0.849 45 D CB 0.039 40.785 40.800 -0.090 0.000 0.939 45 D HN 0.412 nan 8.370 nan 0.000 0.449 46 E N -0.291 119.791 120.200 -0.196 0.000 2.072 46 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 46 E C 2.056 178.509 176.600 -0.245 0.000 0.985 46 E CA 0.964 57.250 56.400 -0.189 0.000 0.801 46 E CB 0.202 29.804 29.700 -0.164 0.000 0.750 46 E HN 0.022 nan 8.360 nan 0.000 0.452 47 K N 0.367 120.523 120.400 -0.408 0.000 2.167 47 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 47 K C 1.803 178.262 176.600 -0.234 0.000 1.052 47 K CA 0.882 56.938 56.287 -0.385 0.000 0.956 47 K CB -0.008 32.100 32.500 -0.654 0.000 0.735 47 K HN 0.238 nan 8.250 nan 0.000 0.451 48 E N 1.096 121.171 120.200 -0.209 0.000 2.481 48 E HA -0.040 4.310 4.350 -0.000 0.000 0.195 48 E C 0.255 176.794 176.600 -0.100 0.000 1.047 48 E CA -0.167 56.154 56.400 -0.132 0.000 0.867 48 E CB 0.142 29.773 29.700 -0.115 0.000 0.858 48 E HN 0.234 nan 8.360 nan 0.000 0.513 49 N N 0.883 119.518 118.700 -0.108 0.000 2.453 49 N HA 0.042 4.782 4.740 -0.000 0.000 0.253 49 N C 0.821 176.292 175.510 -0.064 0.000 1.252 49 N CA -0.308 52.695 53.050 -0.078 0.000 0.917 49 N CB 0.575 39.016 38.487 -0.078 0.000 1.117 49 N HN 0.102 nan 8.380 nan 0.000 0.442 50 I N 0.473 121.014 120.570 -0.048 0.000 3.576 50 I HA -0.014 4.156 4.170 -0.000 0.000 0.231 50 I C 0.509 176.603 176.117 -0.038 0.000 1.331 50 I CA -0.348 60.929 61.300 -0.039 0.000 1.063 50 I CB 0.003 37.985 38.000 -0.030 0.000 1.517 50 I HN 0.717 nan 8.210 nan 0.000 0.817 51 I N -0.113 120.439 120.570 -0.030 0.000 6.835 51 I HA -0.252 3.918 4.170 -0.000 0.000 0.126 51 I C -0.137 175.960 176.117 -0.033 0.000 1.824 51 I CA 0.597 61.881 61.300 -0.027 0.000 2.065 51 I CB -1.931 36.054 38.000 -0.025 0.000 3.539 51 I HN 0.809 nan 8.210 nan 0.000 0.178 79 D N 5.254 125.643 120.400 -0.019 0.000 2.087 79 D HA -0.138 4.502 4.640 -0.000 0.000 0.210 79 D C 0.601 176.896 176.300 -0.008 0.000 0.973 79 D CA 1.814 55.805 54.000 -0.016 0.000 0.882 79 D CB -0.466 40.326 40.800 -0.012 0.000 1.019 79 D HN 0.571 nan 8.370 nan 0.000 0.450 80 T N 1.861 116.413 114.554 -0.003 0.000 3.479 80 T HA -0.205 4.145 4.350 -0.000 0.000 0.396 80 T C 0.072 174.777 174.700 0.007 0.000 0.768 80 T CA 0.850 62.952 62.100 0.003 0.000 1.954 80 T CB -1.738 67.133 68.868 0.005 0.000 1.731 80 T HN 0.424 nan 8.240 nan 0.000 0.661 81 N N -2.219 116.485 118.700 0.006 0.000 2.815 81 N HA -0.230 4.510 4.740 -0.000 0.000 0.247 81 N C 0.829 176.348 175.510 0.016 0.000 1.030 81 N CA 1.155 54.212 53.050 0.011 0.000 0.881 81 N CB -0.997 37.498 38.487 0.013 0.000 1.134 81 N HN 0.558 nan 8.380 nan 0.000 0.582 82 L N 0.709 121.939 121.223 0.013 0.000 2.418 82 L HA 0.122 4.462 4.340 -0.000 0.000 0.218 82 L C 1.930 178.803 176.870 0.006 0.000 1.125 82 L CA 1.277 56.129 54.840 0.019 0.000 0.835 82 L CB -0.037 42.028 42.059 0.009 0.000 0.953 82 L HN 0.088 nan 8.230 nan 0.000 0.454 83 S N -0.870 114.829 115.700 -0.003 0.000 2.382 83 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 83 S C 2.063 176.664 174.600 0.001 0.000 1.027 83 S CA 1.390 59.584 58.200 -0.009 0.000 0.991 83 S CB -0.424 62.770 63.200 -0.010 0.000 0.823 83 S HN 0.746 nan 8.310 nan 0.000 0.469 84 S N 1.817 117.523 115.700 0.010 0.000 2.377 84 S HA -0.001 4.469 4.470 -0.000 0.000 0.223 84 S C 1.980 176.596 174.600 0.026 0.000 1.030 84 S CA 0.944 59.153 58.200 0.015 0.000 0.970 84 S CB -0.632 62.577 63.200 0.016 0.000 0.830 84 S HN 0.355 nan 8.310 nan 0.000 0.473 85 S N 2.803 118.524 115.700 0.035 0.000 2.365 85 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 85 S C 1.815 176.452 174.600 0.063 0.000 1.037 85 S CA 1.777 60.011 58.200 0.056 0.000 1.060 85 S CB -0.804 62.440 63.200 0.073 0.000 0.974 85 S HN 0.511 nan 8.310 nan 0.000 0.427 86 I N 1.326 121.926 120.570 0.050 0.000 2.185 86 I HA -0.263 3.907 4.170 -0.000 0.000 0.246 86 I C 2.722 178.856 176.117 0.027 0.000 1.088 86 I CA 1.417 62.737 61.300 0.034 0.000 1.347 86 I CB -0.487 37.499 38.000 -0.023 0.000 1.041 86 I HN 0.309 nan 8.210 nan 0.000 0.415 87 S N -0.110 115.602 115.700 0.020 0.000 2.383 87 S HA -0.302 4.168 4.470 -0.000 0.000 0.229 87 S C 2.008 176.627 174.600 0.032 0.000 1.030 87 S CA 1.928 60.140 58.200 0.019 0.000 1.002 87 S CB -0.187 63.022 63.200 0.014 0.000 0.829 87 S HN 0.457 nan 8.310 nan 0.000 0.467 88 Q N 0.153 119.977 119.800 0.041 0.000 2.079 88 Q HA 0.032 4.372 4.340 -0.000 0.000 0.200 88 Q C 2.123 178.161 176.000 0.064 0.000 0.974 88 Q CA 1.513 57.346 55.803 0.050 0.000 0.840 88 Q CB -0.205 28.565 28.738 0.053 0.000 0.898 88 Q HN 0.577 nan 8.270 nan 0.000 0.430 89 L N 0.368 121.634 121.223 0.072 0.000 2.083 89 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 89 L C 2.289 179.197 176.870 0.065 0.000 1.083 89 L CA 1.281 56.169 54.840 0.080 0.000 0.752 89 L CB -0.403 41.718 42.059 0.103 0.000 0.899 89 L HN 0.153 nan 8.230 nan 0.000 0.433 90 K N -0.058 120.370 120.400 0.046 0.000 2.209 90 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 90 K C 2.207 178.839 176.600 0.054 0.000 1.048 90 K CA 1.125 57.434 56.287 0.037 0.000 0.940 90 K CB -0.149 32.363 32.500 0.020 0.000 0.729 90 K HN 0.331 nan 8.250 nan 0.000 0.451 91 R N 0.552 121.088 120.500 0.060 0.000 2.119 91 R HA 0.055 4.395 4.340 -0.000 0.000 0.222 91 R C 2.323 178.683 176.300 0.100 0.000 1.088 91 R CA 0.724 56.863 56.100 0.065 0.000 0.984 91 R CB -0.115 30.218 30.300 0.054 0.000 0.884 91 R HN 0.144 nan 8.270 nan 0.000 0.447 92 I N 0.582 121.229 120.570 0.128 0.000 2.202 92 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 92 I C 2.719 179.019 176.117 0.305 0.000 1.091 92 I CA 1.293 62.727 61.300 0.223 0.000 1.368 92 I CB -0.310 37.813 38.000 0.205 0.000 1.058 92 I HN 0.258 nan 8.210 nan 0.000 0.410 93 Q N 1.263 121.169 119.800 0.175 0.000 2.077 93 Q HA -0.301 4.038 4.340 -0.000 0.000 0.206 93 Q C 2.383 178.488 176.000 0.175 0.000 0.989 93 Q CA 1.995 57.887 55.803 0.148 0.000 0.853 93 Q CB -0.159 28.615 28.738 0.059 0.000 0.907 93 Q HN 0.312 nan 8.270 nan 0.000 0.418 94 R N 0.190 120.763 120.500 0.122 0.000 2.096 94 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 94 R C 2.060 178.417 176.300 0.095 0.000 1.127 94 R CA 1.771 57.925 56.100 0.091 0.000 0.968 94 R CB -0.313 30.022 30.300 0.059 0.000 0.861 94 R HN 0.436 nan 8.270 nan 0.000 0.440 95 D N -0.313 120.152 120.400 0.109 0.000 2.097 95 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 95 D C 1.680 177.978 176.300 -0.002 0.000 0.989 95 D CA 1.252 55.267 54.000 0.026 0.000 0.827 95 D CB -0.101 40.688 40.800 -0.019 0.000 0.966 95 D HN 0.200 nan 8.370 nan 0.000 0.456 96 F N 1.304 121.270 119.950 0.026 0.000 2.171 96 F HA -0.057 4.471 4.527 0.001 0.000 0.300 96 F C 2.576 178.391 175.800 0.025 0.000 1.090 96 F CA 0.970 58.988 58.000 0.029 0.000 1.293 96 F CB -0.075 38.948 39.000 0.039 0.000 1.013 96 F HN -0.116 nan 8.300 nan 0.000 0.486 97 K N -0.460 120.055 120.400 0.191 0.000 2.280 97 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 97 K C 2.203 178.844 176.600 0.067 0.000 1.047 97 K CA 1.049 57.403 56.287 0.113 0.000 0.942 97 K CB -0.527 32.023 32.500 0.084 0.000 0.739 97 K HN 0.373 nan 8.250 nan 0.000 0.457 98 G N 0.715 109.541 108.800 0.044 0.000 2.719 98 G HA2 0.019 3.978 3.960 -0.000 0.000 0.211 98 G HA3 0.019 3.978 3.960 -0.000 0.000 0.211 98 G C 0.498 175.395 174.900 -0.005 0.000 1.140 98 G CA -0.403 44.705 45.100 0.014 0.000 0.790 98 G HN 0.077 nan 8.290 nan 0.000 0.529 99 L N 3.620 124.829 121.223 -0.023 0.000 2.825 99 L HA 0.086 4.426 4.340 -0.000 0.000 0.278 99 L C -1.323 175.541 176.870 -0.010 0.000 1.125 99 L CA -0.990 53.819 54.840 -0.051 0.000 1.023 99 L CB 0.046 42.046 42.059 -0.098 0.000 1.377 99 L HN 0.137 nan 8.230 nan 0.000 0.471 100 P HA 0.120 nan 4.420 nan 0.000 0.266 100 P C -2.209 175.094 177.300 0.004 0.000 1.195 100 P CA -0.890 62.208 63.100 -0.002 0.000 0.768 100 P CB -0.154 31.541 31.700 -0.008 0.000 0.838 101 P HA 0.000 nan 4.420 nan 0.000 0.216 101 P CA 0.000 63.108 63.100 0.013 0.000 0.800 101 P CB 0.000 31.708 31.700 0.013 0.000 0.726