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 2e7s_1_C DATA FIRST_RESID 31 DATA SEQUENCE LEEQLNKSLK TIASQKAAIE NYNQLKEDYN TLKRELSDRD DEVKRLREDI DATA SEQUENCE AKENELRTKA EEEADKLNKE VEDLTASLFD EANNLVADAR XEKYAIEILN DATA SEQUENCE KRLTEQLREK DXLLDTLT 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 31 L HA 0.000 nan 4.340 nan 0.000 0.249 31 L C 0.000 176.870 176.870 0.000 0.000 1.165 31 L CA 0.000 54.840 54.840 0.000 0.000 0.813 31 L CB 0.000 42.059 42.059 0.000 0.000 0.961 32 E N 0.126 120.326 120.200 0.000 0.000 2.501 32 E HA 0.086 4.424 4.350 -0.020 0.000 0.200 32 E C 1.105 177.705 176.600 0.000 0.000 1.016 32 E CA 0.203 56.604 56.400 0.000 0.000 0.921 32 E CB 0.802 30.503 29.700 0.000 0.000 1.034 32 E HN 0.368 nan 8.360 nan 0.000 0.468 33 E N 1.528 121.728 120.200 -0.000 0.000 2.329 33 E HA -0.036 4.302 4.350 -0.020 0.000 0.189 33 E C 1.929 178.529 176.600 -0.000 0.000 0.997 33 E CA 0.502 56.902 56.400 -0.000 0.000 1.062 33 E CB -0.243 29.457 29.700 -0.000 0.000 1.260 33 E HN 0.135 nan 8.360 nan 0.000 0.490 34 Q N -0.318 119.481 119.800 -0.000 0.000 2.364 34 Q HA -0.035 4.293 4.340 -0.020 0.000 0.207 34 Q C 1.143 177.143 176.000 -0.000 0.000 0.970 34 Q CA 0.764 56.566 55.803 -0.001 0.000 0.888 34 Q CB 0.111 28.849 28.738 -0.001 0.000 0.951 34 Q HN 0.260 nan 8.270 nan 0.000 0.469 35 L N 0.645 121.868 121.223 -0.000 0.000 2.628 35 L HA 0.149 4.477 4.340 -0.020 0.000 0.229 35 L C 1.059 177.929 176.870 0.000 0.000 1.137 35 L CA 0.303 55.143 54.840 0.000 0.000 0.909 35 L CB 0.151 42.210 42.059 0.000 0.000 1.137 35 L HN 0.164 nan 8.230 nan 0.000 0.470 36 N N -0.585 118.115 118.700 0.000 0.000 2.742 36 N HA -0.085 4.643 4.740 -0.020 0.000 0.233 36 N C 1.644 177.154 175.510 0.000 0.000 1.033 36 N CA 0.558 53.608 53.050 0.000 0.000 0.993 36 N CB 0.252 38.739 38.487 0.000 0.000 1.544 36 N HN 0.190 nan 8.380 nan 0.000 0.459 37 K N 0.668 121.068 120.400 -0.000 0.000 2.280 37 K HA 0.056 4.364 4.320 -0.020 0.000 0.202 37 K C 1.597 178.197 176.600 -0.000 0.000 1.047 37 K CA 1.082 57.369 56.287 -0.000 0.000 0.942 37 K CB 0.151 32.651 32.500 -0.001 0.000 0.739 37 K HN 0.061 nan 8.250 nan 0.000 0.457 38 S N 0.814 116.514 115.700 -0.000 0.000 2.377 38 S HA 0.010 4.468 4.470 -0.020 0.000 0.223 38 S C 1.658 176.258 174.600 0.000 0.000 1.030 38 S CA 0.638 58.838 58.200 -0.000 0.000 0.970 38 S CB -0.052 63.148 63.200 -0.000 0.000 0.830 38 S HN 0.271 nan 8.310 nan 0.000 0.473 39 L N 1.274 122.497 121.223 0.001 0.000 2.275 39 L HA -0.060 4.268 4.340 -0.020 0.000 0.215 39 L C 2.460 179.330 176.870 0.001 0.000 1.119 39 L CA 1.059 55.899 54.840 0.001 0.000 0.790 39 L CB -0.292 41.768 42.059 0.001 0.000 0.919 39 L HN 0.295 nan 8.230 nan 0.000 0.443 40 K N -0.494 119.906 120.400 0.001 0.000 2.067 40 K HA -0.138 4.170 4.320 -0.020 0.000 0.203 40 K C 2.125 178.726 176.600 0.001 0.000 1.048 40 K CA 1.418 57.706 56.287 0.001 0.000 0.954 40 K CB -0.009 32.491 32.500 0.001 0.000 0.737 40 K HN -0.031 nan 8.250 nan 0.000 0.444 41 T N 0.643 115.197 114.554 0.000 0.000 2.929 41 T HA -0.038 4.300 4.350 -0.020 0.000 0.271 41 T C 1.677 176.377 174.700 -0.000 0.000 1.085 41 T CA 1.060 63.159 62.100 -0.001 0.000 1.125 41 T CB -0.097 68.770 68.868 -0.002 0.000 0.874 41 T HN 0.217 nan 8.240 nan 0.000 0.494 42 I N 0.373 120.944 120.570 0.001 0.000 2.585 42 I HA 0.117 4.275 4.170 -0.020 0.000 0.254 42 I C 2.739 178.858 176.117 0.003 0.000 1.129 42 I CA 0.775 62.075 61.300 0.001 0.000 1.455 42 I CB -0.307 37.694 38.000 0.001 0.000 1.111 42 I HN 0.198 nan 8.210 nan 0.000 0.433 43 A N -0.494 122.328 122.820 0.003 0.000 2.119 43 A HA -0.120 4.188 4.320 -0.020 0.000 0.217 43 A C 2.362 179.949 177.584 0.005 0.000 1.153 43 A CA 1.717 53.757 52.037 0.004 0.000 0.692 43 A CB -0.325 18.677 19.000 0.004 0.000 0.799 43 A HN 0.370 nan 8.150 nan 0.000 0.458 44 S N -0.887 114.815 115.700 0.004 0.000 2.384 44 S HA -0.094 4.364 4.470 -0.020 0.000 0.217 44 S C 2.061 176.663 174.600 0.004 0.000 1.041 44 S CA 0.941 59.144 58.200 0.004 0.000 0.948 44 S CB -0.339 62.862 63.200 0.002 0.000 0.872 44 S HN 0.631 nan 8.310 nan 0.000 0.512 45 Q N 0.845 120.646 119.800 0.002 0.000 2.152 45 Q HA -0.204 4.124 4.340 -0.020 0.000 0.206 45 Q C 2.129 178.132 176.000 0.005 0.000 0.985 45 Q CA 1.795 57.598 55.803 0.001 0.000 0.863 45 Q CB -0.226 28.511 28.738 -0.002 0.000 0.904 45 Q HN 0.516 nan 8.270 nan 0.000 0.422 46 K N 0.277 120.681 120.400 0.007 0.000 2.155 46 K HA -0.085 4.223 4.320 -0.020 0.000 0.203 46 K C 1.994 178.604 176.600 0.017 0.000 1.052 46 K CA 0.847 57.141 56.287 0.012 0.000 0.948 46 K CB -0.064 32.442 32.500 0.010 0.000 0.728 46 K HN 0.168 nan 8.250 nan 0.000 0.448 47 A N 1.519 124.348 122.820 0.014 0.000 1.841 47 A HA -0.158 4.150 4.320 -0.020 0.000 0.216 47 A C 2.427 180.026 177.584 0.025 0.000 1.199 47 A CA 2.117 54.164 52.037 0.017 0.000 0.621 47 A CB -1.265 17.742 19.000 0.013 0.000 0.835 47 A HN 0.470 nan 8.150 nan 0.000 0.445 48 A N -0.165 122.669 122.820 0.023 0.000 1.903 48 A HA -0.190 4.118 4.320 -0.020 0.000 0.219 48 A C 2.156 179.771 177.584 0.051 0.000 1.191 48 A CA 1.809 53.865 52.037 0.032 0.000 0.638 48 A CB -0.778 18.231 19.000 0.015 0.000 0.823 48 A HN 0.549 nan 8.150 nan 0.000 0.451 49 I N -0.598 119.995 120.570 0.038 0.000 2.069 49 I HA -0.278 3.880 4.170 -0.020 0.000 0.237 49 I C 2.559 178.721 176.117 0.075 0.000 1.053 49 I CA 1.686 63.018 61.300 0.052 0.000 1.311 49 I CB -0.607 37.413 38.000 0.033 0.000 1.030 49 I HN 0.327 nan 8.210 nan 0.000 0.398 50 E N 1.001 121.231 120.200 0.051 0.000 2.169 50 E HA -0.241 4.097 4.350 -0.020 0.000 0.202 50 E C 1.808 178.438 176.600 0.050 0.000 1.016 50 E CA 1.339 57.766 56.400 0.044 0.000 0.817 50 E CB -0.622 29.095 29.700 0.029 0.000 0.736 50 E HN 0.528 nan 8.360 nan 0.000 0.462 51 N N 0.328 119.063 118.700 0.060 0.000 2.022 51 N HA -0.184 4.544 4.740 -0.020 0.000 0.194 51 N C 1.862 177.418 175.510 0.077 0.000 1.057 51 N CA 1.042 54.127 53.050 0.058 0.000 0.849 51 N CB -0.971 37.553 38.487 0.063 0.000 1.044 51 N HN 0.245 nan 8.380 nan 0.000 0.424 52 Y N 1.968 122.265 120.300 -0.006 0.000 2.556 52 Y HA -0.097 4.441 4.550 -0.020 0.000 0.290 52 Y C 1.547 177.449 175.900 0.002 0.000 1.149 52 Y CA 1.108 59.203 58.100 -0.009 0.000 1.329 52 Y CB -0.059 38.394 38.460 -0.013 0.000 0.975 52 Y HN 0.134 nan 8.280 nan 0.000 0.561 53 N N -0.491 118.259 118.700 0.084 0.000 2.387 53 N HA -0.098 4.630 4.740 -0.020 0.000 0.176 53 N C 1.445 176.947 175.510 -0.013 0.000 1.022 53 N CA 0.876 53.950 53.050 0.039 0.000 0.883 53 N CB -0.305 38.224 38.487 0.070 0.000 1.019 53 N HN 0.477 nan 8.380 nan 0.000 0.435 54 Q N 0.195 119.989 119.800 -0.010 0.000 2.403 54 Q HA 0.113 4.441 4.340 -0.020 0.000 0.203 54 Q C 1.264 177.244 176.000 -0.032 0.000 0.932 54 Q CA 0.229 56.024 55.803 -0.014 0.000 0.945 54 Q CB 0.303 29.040 28.738 -0.001 0.000 1.045 54 Q HN 0.136 nan 8.270 nan 0.000 0.511 55 L N -0.516 120.663 121.223 -0.073 0.000 2.467 55 L HA 0.186 4.514 4.340 -0.020 0.000 0.213 55 L C 1.849 178.647 176.870 -0.121 0.000 1.053 55 L CA 1.100 55.887 54.840 -0.089 0.000 0.847 55 L CB -0.072 41.917 42.059 -0.115 0.000 1.075 55 L HN -0.074 nan 8.230 nan 0.000 0.479 56 K N -0.029 120.225 120.400 -0.244 0.000 2.283 56 K HA -0.224 4.084 4.320 -0.020 0.000 0.202 56 K C 1.871 178.448 176.600 -0.039 0.000 1.048 56 K CA 1.465 57.613 56.287 -0.231 0.000 0.948 56 K CB 0.068 32.321 32.500 -0.411 0.000 0.742 56 K HN 0.544 nan 8.250 nan 0.000 0.458 57 E N 0.455 120.629 120.200 -0.042 0.000 2.107 57 E HA -0.174 4.164 4.350 -0.020 0.000 0.191 57 E C 0.885 177.485 176.600 0.000 0.000 0.982 57 E CA 1.299 57.692 56.400 -0.012 0.000 0.809 57 E CB 0.180 29.873 29.700 -0.012 0.000 0.756 57 E HN 0.329 nan 8.360 nan 0.000 0.459 58 D N -0.429 119.977 120.400 0.009 0.000 2.271 58 D HA -0.106 4.522 4.640 -0.020 0.000 0.206 58 D C 1.514 177.844 176.300 0.049 0.000 0.967 58 D CA 0.383 54.394 54.000 0.018 0.000 0.867 58 D CB -0.158 40.651 40.800 0.016 0.000 0.960 58 D HN 0.268 nan 8.370 nan 0.000 0.509 59 Y N 2.258 122.514 120.300 -0.074 0.000 2.293 59 Y HA -0.105 4.433 4.550 -0.020 0.000 0.291 59 Y C 1.820 177.690 175.900 -0.050 0.000 1.137 59 Y CA 1.186 59.246 58.100 -0.067 0.000 1.202 59 Y CB -0.068 38.334 38.460 -0.097 0.000 0.990 59 Y HN -0.129 nan 8.280 nan 0.000 0.537 60 N N -0.887 117.758 118.700 -0.091 0.000 2.132 60 N HA -0.115 4.613 4.740 -0.020 0.000 0.187 60 N C 1.709 177.139 175.510 -0.134 0.000 1.038 60 N CA 1.968 54.922 53.050 -0.159 0.000 0.846 60 N CB -0.677 37.776 38.487 -0.057 0.000 1.012 60 N HN 0.262 nan 8.380 nan 0.000 0.429 61 T N 2.055 116.565 114.554 -0.073 0.000 2.869 61 T HA -0.125 4.213 4.350 -0.020 0.000 0.270 61 T C 1.889 176.548 174.700 -0.068 0.000 1.082 61 T CA 0.704 62.771 62.100 -0.057 0.000 1.123 61 T CB -0.123 68.726 68.868 -0.031 0.000 0.856 61 T HN 0.091 nan 8.240 nan 0.000 0.499 62 L N 0.990 122.160 121.223 -0.087 0.000 2.071 62 L HA 0.286 4.614 4.340 -0.020 0.000 0.201 62 L C 2.255 179.050 176.870 -0.124 0.000 1.076 62 L CA 1.645 56.435 54.840 -0.083 0.000 0.755 62 L CB -0.463 41.564 42.059 -0.054 0.000 0.915 62 L HN -0.076 nan 8.230 nan 0.000 0.445 63 K N -0.638 119.625 120.400 -0.229 0.000 2.442 63 K HA -0.199 4.109 4.320 -0.020 0.000 0.200 63 K C 2.066 178.573 176.600 -0.156 0.000 1.045 63 K CA 1.188 57.327 56.287 -0.247 0.000 0.937 63 K CB 0.024 32.254 32.500 -0.450 0.000 0.757 63 K HN 0.342 nan 8.250 nan 0.000 0.474 64 R N 0.040 120.464 120.500 -0.126 0.000 2.080 64 R HA -0.032 4.296 4.340 -0.020 0.000 0.222 64 R C 2.008 178.271 176.300 -0.061 0.000 1.107 64 R CA 1.191 57.241 56.100 -0.084 0.000 0.980 64 R CB -0.040 30.218 30.300 -0.069 0.000 0.879 64 R HN 0.293 nan 8.270 nan 0.000 0.439 65 E N 0.821 120.987 120.200 -0.057 0.000 2.110 65 E HA -0.211 4.127 4.350 -0.020 0.000 0.193 65 E C 1.930 178.507 176.600 -0.039 0.000 0.988 65 E CA 0.897 57.273 56.400 -0.041 0.000 0.804 65 E CB -0.076 29.603 29.700 -0.035 0.000 0.745 65 E HN 0.102 nan 8.360 nan 0.000 0.458 66 L N 0.857 122.050 121.223 -0.049 0.000 2.017 66 L HA -0.160 4.168 4.340 -0.020 0.000 0.208 66 L C 2.439 179.287 176.870 -0.037 0.000 1.073 66 L CA 1.805 56.620 54.840 -0.041 0.000 0.745 66 L CB -0.657 41.372 42.059 -0.050 0.000 0.894 66 L HN -0.047 nan 8.230 nan 0.000 0.432 67 S N -0.968 114.705 115.700 -0.045 0.000 2.370 67 S HA -0.206 4.252 4.470 -0.020 0.000 0.226 67 S C 1.716 176.300 174.600 -0.028 0.000 1.033 67 S CA 1.689 59.867 58.200 -0.037 0.000 1.011 67 S CB -0.455 62.719 63.200 -0.043 0.000 0.852 67 S HN 0.605 nan 8.310 nan 0.000 0.457 68 D N 0.194 120.577 120.400 -0.028 0.000 2.234 68 D HA 0.048 4.676 4.640 -0.020 0.000 0.205 68 D C 1.702 177.991 176.300 -0.018 0.000 0.962 68 D CA 0.518 54.505 54.000 -0.022 0.000 0.855 68 D CB -0.022 40.765 40.800 -0.022 0.000 0.951 68 D HN 0.258 nan 8.370 nan 0.000 0.500 69 R N 0.757 121.245 120.500 -0.020 0.000 2.317 69 R HA 0.061 4.389 4.340 -0.020 0.000 0.208 69 R C 0.660 176.952 176.300 -0.014 0.000 0.914 69 R CA 0.179 56.269 56.100 -0.016 0.000 1.060 69 R CB 0.258 30.549 30.300 -0.016 0.000 1.015 69 R HN 0.158 nan 8.270 nan 0.000 0.498 70 D N 0.228 120.619 120.400 -0.016 0.000 2.327 70 D HA -0.023 4.605 4.640 -0.020 0.000 0.205 70 D C 0.775 177.068 176.300 -0.011 0.000 0.989 70 D CA 0.534 54.526 54.000 -0.013 0.000 0.873 70 D CB 0.352 41.143 40.800 -0.015 0.000 0.955 70 D HN 0.093 nan 8.370 nan 0.000 0.515 71 D N 0.728 121.120 120.400 -0.012 0.000 2.277 71 D HA -0.098 4.530 4.640 -0.020 0.000 0.208 71 D C 1.800 178.095 176.300 -0.009 0.000 0.962 71 D CA 0.563 54.557 54.000 -0.010 0.000 0.865 71 D CB 0.334 41.127 40.800 -0.011 0.000 0.939 71 D HN 0.157 nan 8.370 nan 0.000 0.510 72 E N 0.554 120.748 120.200 -0.009 0.000 2.028 72 E HA -0.095 4.243 4.350 -0.020 0.000 0.191 72 E C 2.118 178.714 176.600 -0.006 0.000 0.988 72 E CA 0.545 56.940 56.400 -0.008 0.000 0.799 72 E CB -0.032 29.663 29.700 -0.008 0.000 0.755 72 E HN -0.036 nan 8.360 nan 0.000 0.447 73 V N 0.829 120.739 119.914 -0.007 0.000 2.626 73 V HA -0.181 3.927 4.120 -0.020 0.000 0.252 73 V C 1.896 177.987 176.094 -0.005 0.000 1.067 73 V CA 1.698 63.995 62.300 -0.005 0.000 1.081 73 V CB -0.338 31.482 31.823 -0.005 0.000 0.686 73 V HN 0.204 nan 8.190 nan 0.000 0.468 74 K N -0.378 120.019 120.400 -0.005 0.000 2.243 74 K HA 0.010 4.318 4.320 -0.020 0.000 0.201 74 K C 2.375 178.972 176.600 -0.005 0.000 1.051 74 K CA 0.605 56.889 56.287 -0.005 0.000 0.970 74 K CB -0.078 32.419 32.500 -0.005 0.000 0.755 74 K HN 0.368 nan 8.250 nan 0.000 0.465 75 R N 0.869 121.366 120.500 -0.005 0.000 2.057 75 R HA 0.009 4.337 4.340 -0.020 0.000 0.229 75 R C 2.338 178.636 176.300 -0.004 0.000 1.136 75 R CA 1.069 57.166 56.100 -0.005 0.000 0.952 75 R CB -0.360 29.937 30.300 -0.005 0.000 0.848 75 R HN 0.101 nan 8.270 nan 0.000 0.430 76 L N 0.364 121.585 121.223 -0.004 0.000 2.042 76 L HA -0.191 4.137 4.340 -0.020 0.000 0.210 76 L C 2.809 179.677 176.870 -0.003 0.000 1.076 76 L CA 1.301 56.139 54.840 -0.003 0.000 0.749 76 L CB -0.551 41.506 42.059 -0.004 0.000 0.893 76 L HN 0.244 nan 8.230 nan 0.000 0.432 77 R N 0.678 121.176 120.500 -0.003 0.000 2.096 77 R HA -0.228 4.100 4.340 -0.020 0.000 0.240 77 R C 2.028 178.327 176.300 -0.002 0.000 1.139 77 R CA 2.093 58.191 56.100 -0.003 0.000 0.952 77 R CB -0.108 30.190 30.300 -0.003 0.000 0.854 77 R HN 0.467 nan 8.270 nan 0.000 0.436 78 E N -0.403 119.795 120.200 -0.003 0.000 2.122 78 E HA -0.096 4.242 4.350 -0.020 0.000 0.190 78 E C 1.625 178.223 176.600 -0.002 0.000 0.977 78 E CA 0.824 57.223 56.400 -0.002 0.000 0.820 78 E CB 0.077 29.775 29.700 -0.003 0.000 0.770 78 E HN 0.418 nan 8.360 nan 0.000 0.462 79 D N 0.915 121.313 120.400 -0.003 0.000 2.117 79 D HA -0.134 4.495 4.640 -0.020 0.000 0.198 79 D C 1.955 178.254 176.300 -0.002 0.000 0.982 79 D CA 0.818 54.816 54.000 -0.002 0.000 0.828 79 D CB 0.087 40.886 40.800 -0.003 0.000 0.967 79 D HN 0.108 nan 8.370 nan 0.000 0.464 80 I N 1.645 122.213 120.570 -0.002 0.000 2.130 80 I HA -0.155 4.003 4.170 -0.020 0.000 0.232 80 I C 2.663 178.779 176.117 -0.002 0.000 1.064 80 I CA 0.698 61.997 61.300 -0.002 0.000 1.338 80 I CB -1.593 36.406 38.000 -0.002 0.000 1.084 80 I HN -0.119 nan 8.210 nan 0.000 0.404 81 A N 0.488 123.307 122.820 -0.002 0.000 2.093 81 A HA -0.251 4.057 4.320 -0.020 0.000 0.222 81 A C 2.277 179.860 177.584 -0.002 0.000 1.162 81 A CA 1.897 53.932 52.037 -0.002 0.000 0.655 81 A CB -0.588 18.411 19.000 -0.002 0.000 0.805 81 A HN 0.493 nan 8.150 nan 0.000 0.461 82 K N -1.491 118.908 120.400 -0.002 0.000 2.202 82 K HA 0.026 4.334 4.320 -0.020 0.000 0.201 82 K C 1.742 178.341 176.600 -0.002 0.000 1.051 82 K CA 0.939 57.225 56.287 -0.002 0.000 0.977 82 K CB 0.115 32.614 32.500 -0.002 0.000 0.792 82 K HN 0.592 nan 8.250 nan 0.000 0.469 83 E N 0.816 121.015 120.200 -0.002 0.000 2.479 83 E HA -0.053 4.285 4.350 -0.020 0.000 0.193 83 E C 1.161 177.760 176.600 -0.002 0.000 1.049 83 E CA 0.058 56.457 56.400 -0.002 0.000 0.870 83 E CB 0.273 29.972 29.700 -0.002 0.000 0.944 83 E HN 0.123 nan 8.360 nan 0.000 0.492 84 N N 0.492 119.191 118.700 -0.002 0.000 2.402 84 N HA -0.048 4.680 4.740 -0.020 0.000 0.174 84 N C 1.284 176.793 175.510 -0.002 0.000 1.027 84 N CA 0.796 53.845 53.050 -0.002 0.000 0.891 84 N CB 0.356 38.842 38.487 -0.002 0.000 1.016 84 N HN 0.085 nan 8.380 nan 0.000 0.439 85 E N -0.355 119.844 120.200 -0.001 0.000 2.400 85 E HA 0.100 4.438 4.350 -0.020 0.000 0.195 85 E C 1.380 177.980 176.600 -0.001 0.000 1.012 85 E CA 0.052 56.451 56.400 -0.001 0.000 0.875 85 E CB 0.271 29.971 29.700 -0.001 0.000 0.859 85 E HN 0.381 nan 8.360 nan 0.000 0.498 86 L N 0.369 121.591 121.223 -0.001 0.000 2.313 86 L HA -0.024 4.304 4.340 -0.020 0.000 0.214 86 L C 1.655 178.524 176.870 -0.001 0.000 1.119 86 L CA 0.795 55.634 54.840 -0.001 0.000 0.809 86 L CB 0.054 42.112 42.059 -0.001 0.000 0.933 86 L HN -0.038 nan 8.230 nan 0.000 0.449 87 R N -1.372 119.127 120.500 -0.001 0.000 2.609 87 R HA 0.148 4.476 4.340 -0.020 0.000 0.326 87 R C 0.967 177.266 176.300 -0.001 0.000 1.090 87 R CA -0.032 56.067 56.100 -0.001 0.000 1.072 87 R CB 0.398 30.697 30.300 -0.001 0.000 1.330 87 R HN 0.092 nan 8.270 nan 0.000 0.572 88 T N 0.258 114.811 114.554 -0.001 0.000 3.042 88 T HA 0.053 4.391 4.350 -0.020 0.000 0.245 88 T C 1.458 176.157 174.700 -0.001 0.000 1.029 88 T CA 0.472 62.571 62.100 -0.001 0.000 1.120 88 T CB 0.368 69.235 68.868 -0.001 0.000 0.917 88 T HN 0.163 nan 8.240 nan 0.000 0.467 89 K N 1.766 122.165 120.400 -0.001 0.000 2.283 89 K HA 0.171 4.479 4.320 -0.020 0.000 0.202 89 K C 2.297 178.896 176.600 -0.001 0.000 1.048 89 K CA 0.918 57.204 56.287 -0.001 0.000 0.948 89 K CB -0.042 32.458 32.500 -0.001 0.000 0.742 89 K HN 0.218 nan 8.250 nan 0.000 0.458 90 A N 1.255 124.074 122.820 -0.001 0.000 2.067 90 A HA -0.115 4.193 4.320 -0.020 0.000 0.217 90 A C 1.923 179.506 177.584 -0.002 0.000 1.156 90 A CA 0.936 52.972 52.037 -0.001 0.000 0.683 90 A CB -0.103 18.896 19.000 -0.001 0.000 0.808 90 A HN 0.316 nan 8.150 nan 0.000 0.455 91 E N -0.301 119.898 120.200 -0.002 0.000 2.385 91 E HA -0.071 4.267 4.350 -0.020 0.000 0.194 91 E C 1.549 178.148 176.600 -0.002 0.000 1.013 91 E CA 0.543 56.941 56.400 -0.002 0.000 0.866 91 E CB 0.086 29.785 29.700 -0.002 0.000 0.832 91 E HN 0.749 nan 8.360 nan 0.000 0.500 92 E N 0.767 120.966 120.200 -0.002 0.000 2.057 92 E HA -0.154 4.184 4.350 -0.020 0.000 0.190 92 E C 1.999 178.598 176.600 -0.002 0.000 0.969 92 E CA 1.053 57.452 56.400 -0.002 0.000 0.812 92 E CB -0.037 29.662 29.700 -0.001 0.000 0.777 92 E HN 0.345 nan 8.360 nan 0.000 0.455 93 E N 1.678 121.877 120.200 -0.001 0.000 2.153 93 E HA -0.175 4.163 4.350 -0.020 0.000 0.194 93 E C 2.037 178.636 176.600 -0.001 0.000 0.988 93 E CA 1.039 57.438 56.400 -0.001 0.000 0.811 93 E CB -0.186 29.514 29.700 -0.001 0.000 0.746 93 E HN 0.158 nan 8.360 nan 0.000 0.466 94 A N 2.556 125.375 122.820 -0.002 0.000 1.829 94 A HA -0.296 4.012 4.320 -0.020 0.000 0.216 94 A C 2.190 179.772 177.584 -0.002 0.000 1.207 94 A CA 1.877 53.912 52.037 -0.002 0.000 0.622 94 A CB -1.111 17.888 19.000 -0.002 0.000 0.846 94 A HN 0.435 nan 8.150 nan 0.000 0.447 95 D N -0.375 120.023 120.400 -0.003 0.000 2.154 95 D HA -0.229 4.399 4.640 -0.020 0.000 0.190 95 D C 1.904 178.202 176.300 -0.003 0.000 1.003 95 D CA 2.015 56.013 54.000 -0.004 0.000 0.849 95 D CB -0.190 40.608 40.800 -0.004 0.000 0.942 95 D HN 0.502 nan 8.370 nan 0.000 0.446 96 K N -0.066 120.332 120.400 -0.002 0.000 1.985 96 K HA -0.116 4.192 4.320 -0.020 0.000 0.210 96 K C 2.563 179.162 176.600 -0.002 0.000 1.047 96 K CA 0.796 57.082 56.287 -0.002 0.000 0.932 96 K CB -0.294 32.205 32.500 -0.001 0.000 0.716 96 K HN 0.242 nan 8.250 nan 0.000 0.439 97 L N 1.493 122.715 121.223 -0.001 0.000 2.013 97 L HA -0.257 4.071 4.340 -0.020 0.000 0.212 97 L C 2.171 179.040 176.870 -0.001 0.000 1.073 97 L CA 1.202 56.042 54.840 -0.000 0.000 0.753 97 L CB -0.614 41.445 42.059 -0.000 0.000 0.890 97 L HN 0.297 nan 8.230 nan 0.000 0.432 98 N N -0.246 118.452 118.700 -0.002 0.000 2.120 98 N HA -0.159 4.569 4.740 -0.020 0.000 0.188 98 N C 1.810 177.317 175.510 -0.005 0.000 1.024 98 N CA 1.019 54.067 53.050 -0.003 0.000 0.852 98 N CB -0.142 38.343 38.487 -0.004 0.000 1.003 98 N HN 0.245 nan 8.380 nan 0.000 0.424 99 K N 1.522 121.919 120.400 -0.005 0.000 2.147 99 K HA -0.122 4.186 4.320 -0.020 0.000 0.205 99 K C 1.832 178.429 176.600 -0.004 0.000 1.049 99 K CA 0.614 56.897 56.287 -0.006 0.000 0.936 99 K CB -0.223 32.274 32.500 -0.006 0.000 0.722 99 K HN 0.428 nan 8.250 nan 0.000 0.446 100 E N 0.574 120.773 120.200 -0.002 0.000 2.153 100 E HA -0.126 4.212 4.350 -0.020 0.000 0.194 100 E C 1.780 178.382 176.600 0.002 0.000 0.988 100 E CA 0.730 57.131 56.400 0.001 0.000 0.811 100 E CB 0.245 29.946 29.700 0.002 0.000 0.746 100 E HN -0.050 nan 8.360 nan 0.000 0.466 101 V N 1.157 121.071 119.914 0.001 0.000 2.323 101 V HA -0.211 3.897 4.120 -0.020 0.000 0.244 101 V C 2.358 178.452 176.094 0.000 0.000 1.041 101 V CA 2.037 64.339 62.300 0.003 0.000 1.025 101 V CB -0.540 31.284 31.823 0.001 0.000 0.656 101 V HN 0.356 nan 8.190 nan 0.000 0.451 102 E N -0.122 120.074 120.200 -0.006 0.000 2.171 102 E HA -0.287 4.051 4.350 -0.020 0.000 0.197 102 E C 1.738 178.332 176.600 -0.010 0.000 0.997 102 E CA 1.633 58.024 56.400 -0.014 0.000 0.810 102 E CB -0.003 29.687 29.700 -0.017 0.000 0.738 102 E HN 0.633 nan 8.360 nan 0.000 0.467 103 D N 0.107 120.506 120.400 -0.002 0.000 2.106 103 D HA -0.098 4.530 4.640 -0.020 0.000 0.203 103 D C 2.239 178.547 176.300 0.013 0.000 0.977 103 D CA 0.687 54.689 54.000 0.003 0.000 0.844 103 D CB -0.289 40.514 40.800 0.004 0.000 1.002 103 D HN 0.228 nan 8.370 nan 0.000 0.461 104 L N 0.981 122.213 121.223 0.015 0.000 2.021 104 L HA -0.219 4.109 4.340 -0.020 0.000 0.215 104 L C 2.568 179.460 176.870 0.037 0.000 1.074 104 L CA 1.377 56.231 54.840 0.023 0.000 0.760 104 L CB -0.929 41.142 42.059 0.019 0.000 0.889 104 L HN 0.046 nan 8.230 nan 0.000 0.433 105 T N -0.417 114.157 114.554 0.033 0.000 2.867 105 T HA -0.111 4.227 4.350 -0.020 0.000 0.268 105 T C 1.940 176.679 174.700 0.066 0.000 1.057 105 T CA 1.244 63.374 62.100 0.050 0.000 1.136 105 T CB -0.138 68.743 68.868 0.020 0.000 0.874 105 T HN 0.475 nan 8.240 nan 0.000 0.466 106 A N 0.671 123.509 122.820 0.029 0.000 1.898 106 A HA 0.071 4.379 4.320 -0.020 0.000 0.214 106 A C 2.448 180.077 177.584 0.076 0.000 1.183 106 A CA 1.478 53.531 52.037 0.027 0.000 0.622 106 A CB -0.779 18.216 19.000 -0.008 0.000 0.824 106 A HN 0.414 nan 8.150 nan 0.000 0.444 107 S N -1.044 114.690 115.700 0.056 0.000 2.555 107 S HA -0.013 4.445 4.470 -0.020 0.000 0.230 107 S C 1.640 176.281 174.600 0.069 0.000 0.978 107 S CA 1.033 59.265 58.200 0.054 0.000 0.934 107 S CB -0.407 62.813 63.200 0.033 0.000 0.766 107 S HN 0.437 nan 8.310 nan 0.000 0.533 108 L N -0.074 121.205 121.223 0.094 0.000 2.168 108 L HA 0.404 4.732 4.340 -0.020 0.000 0.203 108 L C 1.620 178.570 176.870 0.133 0.000 1.078 108 L CA 1.480 56.377 54.840 0.095 0.000 0.780 108 L CB -0.949 41.168 42.059 0.095 0.000 0.939 108 L HN 0.312 nan 8.230 nan 0.000 0.451 109 F N 0.755 120.704 119.950 -0.001 0.000 2.307 109 F HA -0.223 4.289 4.527 -0.026 0.000 0.301 109 F C 2.122 177.921 175.800 -0.002 0.000 1.076 109 F CA 1.574 59.573 58.000 -0.002 0.000 1.383 109 F CB -0.211 38.788 39.000 -0.002 0.000 1.055 109 F HN 0.262 nan 8.300 nan 0.000 0.526 110 D N -0.014 120.477 120.400 0.151 0.000 2.075 110 D HA -0.146 4.482 4.640 -0.020 0.000 0.196 110 D C 2.144 178.451 176.300 0.011 0.000 0.985 110 D CA 1.292 55.336 54.000 0.072 0.000 0.834 110 D CB -0.361 40.476 40.800 0.061 0.000 0.987 110 D HN 0.211 nan 8.370 nan 0.000 0.452 111 E N 1.094 121.301 120.200 0.012 0.000 2.114 111 E HA -0.200 4.138 4.350 -0.020 0.000 0.199 111 E C 2.019 178.595 176.600 -0.040 0.000 1.008 111 E CA 1.047 57.441 56.400 -0.009 0.000 0.810 111 E CB -0.396 29.304 29.700 0.000 0.000 0.739 111 E HN 0.250 nan 8.360 nan 0.000 0.456 112 A N 1.498 124.273 122.820 -0.074 0.000 1.930 112 A HA -0.141 4.167 4.320 -0.020 0.000 0.217 112 A C 1.968 179.464 177.584 -0.147 0.000 1.175 112 A CA 1.240 53.200 52.037 -0.129 0.000 0.627 112 A CB -0.270 18.603 19.000 -0.212 0.000 0.815 112 A HN 0.126 nan 8.150 nan 0.000 0.443 113 N N 0.589 119.200 118.700 -0.149 0.000 2.250 113 N HA -0.090 4.638 4.740 -0.020 0.000 0.181 113 N C 1.202 176.673 175.510 -0.064 0.000 1.017 113 N CA 0.957 53.938 53.050 -0.115 0.000 0.866 113 N CB -0.468 37.973 38.487 -0.077 0.000 0.985 113 N HN 0.437 nan 8.380 nan 0.000 0.429 114 N N 1.440 120.114 118.700 -0.044 0.000 2.364 114 N HA -0.115 4.613 4.740 -0.020 0.000 0.183 114 N C 1.796 177.286 175.510 -0.033 0.000 1.022 114 N CA 0.315 53.348 53.050 -0.029 0.000 0.883 114 N CB 0.018 38.495 38.487 -0.017 0.000 0.965 114 N HN 0.334 nan 8.380 nan 0.000 0.438 115 L N 0.514 121.711 121.223 -0.043 0.000 2.062 115 L HA -0.010 4.318 4.340 -0.020 0.000 0.202 115 L C 1.575 178.421 176.870 -0.040 0.000 1.079 115 L CA 0.771 55.588 54.840 -0.039 0.000 0.755 115 L CB -0.232 41.801 42.059 -0.044 0.000 0.913 115 L HN -0.185 nan 8.230 nan 0.000 0.445 116 V N 0.929 120.810 119.914 -0.055 0.000 3.330 116 V HA -0.120 3.988 4.120 -0.020 0.000 0.273 116 V C 2.284 178.352 176.094 -0.043 0.000 1.179 116 V CA 1.063 63.334 62.300 -0.049 0.000 1.174 116 V CB -1.189 30.595 31.823 -0.065 0.000 0.794 116 V HN 0.578 nan 8.190 nan 0.000 0.527 117 A N 0.318 123.112 122.820 -0.044 0.000 1.924 117 A HA -0.055 4.253 4.320 -0.020 0.000 0.211 117 A C 2.008 179.566 177.584 -0.042 0.000 1.198 117 A CA 1.130 53.140 52.037 -0.046 0.000 0.657 117 A CB -0.252 18.723 19.000 -0.042 0.000 0.852 117 A HN 0.508 nan 8.150 nan 0.000 0.454 118 D N -0.173 120.209 120.400 -0.030 0.000 2.249 118 D HA 0.129 4.757 4.640 -0.020 0.000 0.205 118 D C 1.763 178.057 176.300 -0.009 0.000 0.962 118 D CA 1.049 55.037 54.000 -0.021 0.000 0.860 118 D CB -0.059 40.731 40.800 -0.015 0.000 0.955 118 D HN 0.288 nan 8.370 nan 0.000 0.505 119 A N 0.280 123.095 122.820 -0.007 0.000 2.216 119 A HA -0.025 4.283 4.320 -0.020 0.000 0.214 119 A C 1.258 178.862 177.584 0.033 0.000 1.160 119 A CA 0.401 52.443 52.037 0.009 0.000 0.725 119 A CB -0.524 18.477 19.000 0.001 0.000 0.784 119 A HN 0.384 nan 8.150 nan 0.000 0.472 123 K N -0.236 120.246 120.400 0.137 0.000 2.361 123 K HA 0.077 4.385 4.320 -0.020 0.000 0.194 123 K C 0.619 177.310 176.600 0.151 0.000 1.032 123 K CA 0.381 56.745 56.287 0.129 0.000 1.048 123 K CB 0.212 32.796 32.500 0.140 0.000 0.842 123 K HN 0.030 nan 8.250 nan 0.000 0.526 124 Y N 0.204 120.501 120.300 -0.005 0.000 2.522 124 Y HA 0.338 4.892 4.550 0.006 0.000 0.277 124 Y C 2.357 178.254 175.900 -0.004 0.000 1.104 124 Y CA 0.359 58.457 58.100 -0.004 0.000 1.260 124 Y CB 0.222 38.679 38.460 -0.004 0.000 1.151 124 Y HN 0.168 nan 8.280 nan 0.000 0.539 125 A N 0.646 123.561 122.820 0.158 0.000 2.015 125 A HA -0.110 4.198 4.320 -0.020 0.000 0.219 125 A C 2.025 179.639 177.584 0.049 0.000 1.163 125 A CA 1.881 53.968 52.037 0.083 0.000 0.646 125 A CB -1.094 17.941 19.000 0.058 0.000 0.806 125 A HN 0.555 nan 8.150 nan 0.000 0.448 126 I N -3.938 116.657 120.570 0.041 0.000 2.703 126 I HA 0.058 4.216 4.170 -0.020 0.000 0.259 126 I C 1.705 177.821 176.117 -0.001 0.000 1.151 126 I CA 1.050 62.360 61.300 0.016 0.000 1.470 126 I CB -0.505 37.502 38.000 0.012 0.000 1.112 126 I HN 0.144 nan 8.210 nan 0.000 0.437 127 E N 1.653 121.843 120.200 -0.017 0.000 2.418 127 E HA -0.012 4.326 4.350 -0.020 0.000 0.197 127 E C 2.142 178.720 176.600 -0.036 0.000 1.026 127 E CA 0.730 57.101 56.400 -0.049 0.000 0.862 127 E CB -0.020 29.609 29.700 -0.118 0.000 0.799 127 E HN 0.612 nan 8.360 nan 0.000 0.518 128 I N 0.569 121.135 120.570 -0.008 0.000 2.676 128 I HA -0.195 3.963 4.170 -0.020 0.000 0.259 128 I C 2.064 178.181 176.117 -0.001 0.000 1.194 128 I CA 0.252 61.554 61.300 0.002 0.000 1.473 128 I CB 0.070 38.085 38.000 0.024 0.000 1.096 128 I HN 0.148 nan 8.210 nan 0.000 0.443 129 L N 0.743 121.964 121.223 -0.003 0.000 2.240 129 L HA -0.064 4.264 4.340 -0.020 0.000 0.211 129 L C 1.695 178.560 176.870 -0.008 0.000 1.106 129 L CA 1.692 56.530 54.840 -0.003 0.000 0.793 129 L CB -0.740 41.318 42.059 -0.002 0.000 0.927 129 L HN 0.123 nan 8.230 nan 0.000 0.446 130 N N -0.701 117.990 118.700 -0.015 0.000 2.461 130 N HA -0.071 4.657 4.740 -0.020 0.000 0.188 130 N C 1.318 176.818 175.510 -0.018 0.000 1.134 130 N CA 0.425 53.464 53.050 -0.019 0.000 0.878 130 N CB -0.003 38.468 38.487 -0.027 0.000 0.972 130 N HN 0.238 nan 8.380 nan 0.000 0.456 131 K N -0.253 120.138 120.400 -0.015 0.000 2.387 131 K HA 0.203 4.511 4.320 -0.020 0.000 0.198 131 K C 0.642 177.238 176.600 -0.007 0.000 1.022 131 K CA 0.115 56.395 56.287 -0.012 0.000 1.128 131 K CB 0.335 32.829 32.500 -0.010 0.000 0.853 131 K HN -0.055 nan 8.250 nan 0.000 0.523 132 R N -0.306 120.190 120.500 -0.006 0.000 2.469 132 R HA 0.078 4.406 4.340 -0.020 0.000 0.250 132 R C 1.544 177.841 176.300 -0.005 0.000 0.909 132 R CA 0.068 56.165 56.100 -0.004 0.000 1.050 132 R CB -0.002 30.297 30.300 -0.002 0.000 1.256 132 R HN 0.139 nan 8.270 nan 0.000 0.550 133 L N 1.440 122.659 121.223 -0.007 0.000 2.240 133 L HA 0.059 4.387 4.340 -0.020 0.000 0.211 133 L C 1.256 178.122 176.870 -0.007 0.000 1.106 133 L CA 1.857 56.693 54.840 -0.007 0.000 0.793 133 L CB -0.202 41.851 42.059 -0.009 0.000 0.927 133 L HN 0.076 nan 8.230 nan 0.000 0.446 134 T N -4.623 109.927 114.554 -0.008 0.000 3.243 134 T HA 0.351 4.689 4.350 -0.020 0.000 0.264 134 T C 0.737 175.434 174.700 -0.006 0.000 1.000 134 T CA -0.256 61.839 62.100 -0.007 0.000 0.901 134 T CB 0.056 68.918 68.868 -0.009 0.000 1.083 134 T HN 0.317 nan 8.240 nan 0.000 0.559 135 E N -0.217 119.981 120.200 -0.005 0.000 2.626 135 E HA 0.089 4.427 4.350 -0.020 0.000 0.194 135 E C 1.264 177.862 176.600 -0.002 0.000 0.950 135 E CA 0.064 56.462 56.400 -0.003 0.000 1.583 135 E CB 0.218 29.916 29.700 -0.003 0.000 1.881 135 E HN 0.231 nan 8.360 nan 0.000 0.979 136 Q N 0.172 119.971 119.800 -0.003 0.000 2.384 136 Q HA 0.181 4.509 4.340 -0.020 0.000 0.207 136 Q C 1.720 177.718 176.000 -0.002 0.000 0.904 136 Q CA 0.347 56.149 55.803 -0.002 0.000 0.933 136 Q CB 0.916 29.653 28.738 -0.002 0.000 1.077 136 Q HN 0.138 nan 8.270 nan 0.000 0.522 137 L N -0.523 120.699 121.223 -0.003 0.000 2.575 137 L HA 0.184 4.512 4.340 -0.020 0.000 0.228 137 L C 1.920 178.788 176.870 -0.003 0.000 1.075 137 L CA 0.870 55.708 54.840 -0.003 0.000 0.867 137 L CB 0.192 42.248 42.059 -0.004 0.000 1.097 137 L HN -0.104 nan 8.230 nan 0.000 0.485 138 R N -0.219 120.279 120.500 -0.003 0.000 2.127 138 R HA -0.036 4.292 4.340 -0.020 0.000 0.217 138 R C 1.663 177.961 176.300 -0.002 0.000 1.074 138 R CA 1.166 57.264 56.100 -0.003 0.000 0.991 138 R CB 0.060 30.358 30.300 -0.003 0.000 0.895 138 R HN 0.532 nan 8.270 nan 0.000 0.450 139 E N 0.661 120.860 120.200 -0.002 0.000 2.481 139 E HA -0.077 4.261 4.350 -0.020 0.000 0.195 139 E C 1.030 177.629 176.600 -0.001 0.000 1.047 139 E CA 0.750 57.150 56.400 -0.001 0.000 0.867 139 E CB 0.292 29.992 29.700 -0.001 0.000 0.858 139 E HN 0.121 nan 8.360 nan 0.000 0.513 140 K N 0.099 120.499 120.400 -0.002 0.000 2.380 140 K HA 0.138 4.446 4.320 -0.020 0.000 0.198 140 K C 0.050 176.649 176.600 -0.002 0.000 1.070 140 K CA -0.251 56.035 56.287 -0.001 0.000 1.040 140 K CB 0.624 33.123 32.500 -0.001 0.000 0.903 140 K HN 0.079 nan 8.250 nan 0.000 0.549 144 L N -1.192 120.031 121.223 -0.001 0.000 2.966 144 L HA 0.522 4.850 4.340 -0.020 0.000 0.262 144 L C 0.966 177.835 176.870 -0.001 0.000 1.165 144 L CA 0.888 55.728 54.840 -0.001 0.000 0.978 144 L CB 0.248 42.306 42.059 -0.001 0.000 1.337 144 L HN 0.091 nan 8.230 nan 0.000 0.563 145 D N -1.545 118.855 120.400 -0.001 0.000 2.463 145 D HA 0.080 4.708 4.640 -0.020 0.000 0.237 145 D C 1.390 177.689 176.300 -0.001 0.000 1.013 145 D CA 1.035 55.035 54.000 -0.001 0.000 0.910 145 D CB 0.633 41.432 40.800 -0.001 0.000 1.080 145 D HN 0.173 nan 8.370 nan 0.000 0.498 146 T N 1.356 115.910 114.554 -0.001 0.000 3.067 146 T HA -0.015 4.323 4.350 -0.020 0.000 0.261 146 T C 1.622 176.321 174.700 -0.001 0.000 1.110 146 T CA 0.178 62.278 62.100 -0.001 0.000 1.113 146 T CB 0.223 69.091 68.868 -0.001 0.000 0.917 146 T HN -0.040 nan 8.240 nan 0.000 0.499 147 L N 1.327 122.550 121.223 -0.001 0.000 2.599 147 L HA 0.280 4.608 4.340 -0.020 0.000 0.230 147 L C 0.579 177.449 176.870 -0.001 0.000 1.141 147 L CA 0.806 55.646 54.840 -0.001 0.000 0.877 147 L CB -0.532 41.527 42.059 -0.001 0.000 1.009 147 L HN 0.048 nan 8.230 nan 0.000 0.447 148 T N 0.000 114.554 114.554 -0.001 0.000 3.816 148 T HA 0.000 4.338 4.350 -0.020 0.000 0.228 148 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 148 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 148 T HN 0.000 nan 8.240 nan 0.000 0.658