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 2ed6_1_B DATA FIRST_RESID 32 DATA SEQUENCE TVTKTIETHT DNIETNMDEN LRIPVTAEVG SGYFKMTDVS FDSDTLGKIK DATA SEQUENCE IRNGKSDAQM KEEDADLVIT PVEGRALEVT VGQNLTFEGT FKVWNNTSRK DATA SEQUENCE INITGMQMVP KINPSKAFVG SSNTSSFTPV SIDEDEVGTF VCGTTFGAPI DATA SEQUENCE AATAGGNLFD MYVHVTYSGT 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 32 T HA 0.000 nan 4.350 nan 0.000 0.228 32 T C 0.000 174.672 174.700 -0.047 0.000 1.109 32 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 32 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 33 V N 2.367 122.253 119.914 -0.047 0.000 2.407 33 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 33 V C 2.681 178.732 176.094 -0.070 0.000 1.055 33 V CA 2.436 64.698 62.300 -0.063 0.000 1.049 33 V CB -0.746 31.048 31.823 -0.048 0.000 0.662 33 V HN 1.002 nan 8.190 nan 0.000 0.455 34 T N -0.121 114.403 114.554 -0.050 0.000 2.684 34 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 34 T C 1.884 176.552 174.700 -0.053 0.000 1.036 34 T CA 1.647 63.720 62.100 -0.045 0.000 1.148 34 T CB -0.237 68.612 68.868 -0.031 0.000 0.863 34 T HN 0.488 nan 8.240 nan 0.000 0.436 35 K N 0.308 120.677 120.400 -0.051 0.000 2.288 35 K HA 0.023 4.343 4.320 -0.000 0.000 0.201 35 K C 2.461 179.015 176.600 -0.077 0.000 1.048 35 K CA 0.943 57.200 56.287 -0.050 0.000 0.956 35 K CB -0.120 32.358 32.500 -0.036 0.000 0.746 35 K HN 0.251 nan 8.250 nan 0.000 0.461 36 T N 1.765 116.248 114.554 -0.118 0.000 2.812 36 T HA -0.002 4.348 4.350 -0.000 0.000 0.264 36 T C 1.868 176.373 174.700 -0.325 0.000 1.042 36 T CA 0.790 62.760 62.100 -0.217 0.000 1.140 36 T CB -0.040 68.680 68.868 -0.247 0.000 0.870 36 T HN 0.123 nan 8.240 nan 0.000 0.445 37 I N 1.013 121.451 120.570 -0.219 0.000 2.315 37 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 37 I C 2.534 178.619 176.117 -0.053 0.000 1.117 37 I CA 1.300 62.513 61.300 -0.146 0.000 1.404 37 I CB -0.362 37.593 38.000 -0.076 0.000 1.071 37 I HN 0.340 nan 8.210 nan 0.000 0.419 38 E N 0.300 120.471 120.200 -0.049 0.000 2.106 38 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 38 E C 2.128 178.730 176.600 0.004 0.000 0.984 38 E CA 1.703 58.092 56.400 -0.018 0.000 0.806 38 E CB -0.118 29.569 29.700 -0.022 0.000 0.750 38 E HN 0.443 nan 8.360 nan 0.000 0.458 39 T N 0.300 114.853 114.554 -0.003 0.000 2.708 39 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 39 T C 1.549 176.334 174.700 0.141 0.000 1.037 39 T CA 1.297 63.426 62.100 0.047 0.000 1.146 39 T CB -0.272 68.618 68.868 0.037 0.000 0.865 39 T HN 0.189 nan 8.240 nan 0.000 0.435 40 H N 1.108 120.171 119.070 -0.012 0.000 2.352 40 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 40 H C 2.622 177.939 175.328 -0.020 0.000 1.097 40 H CA 1.435 57.474 56.048 -0.014 0.000 1.311 40 H CB -1.003 28.752 29.762 -0.012 0.000 1.377 40 H HN 0.265 nan 8.280 nan 0.000 0.504 41 T N 0.870 115.490 114.554 0.110 0.000 2.684 41 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 41 T C 1.525 176.229 174.700 0.006 0.000 1.036 41 T CA 1.668 63.788 62.100 0.034 0.000 1.148 41 T CB -0.237 68.636 68.868 0.010 0.000 0.863 41 T HN 0.411 nan 8.240 nan 0.000 0.436 42 D N 1.056 121.464 120.400 0.014 0.000 2.117 42 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 42 D C 2.149 178.450 176.300 0.001 0.000 0.982 42 D CA 0.850 54.849 54.000 -0.001 0.000 0.828 42 D CB -0.422 40.383 40.800 0.008 0.000 0.967 42 D HN 0.271 nan 8.370 nan 0.000 0.464 43 N N 0.769 119.480 118.700 0.019 0.000 2.188 43 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 43 N C 2.116 177.616 175.510 -0.017 0.000 1.018 43 N CA 0.319 53.371 53.050 0.004 0.000 0.858 43 N CB -0.190 38.300 38.487 0.005 0.000 0.989 43 N HN 0.291 nan 8.380 nan 0.000 0.426 44 I N 1.184 121.738 120.570 -0.027 0.000 2.315 44 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 44 I C 2.445 178.539 176.117 -0.039 0.000 1.117 44 I CA 0.998 62.275 61.300 -0.038 0.000 1.404 44 I CB -0.154 37.824 38.000 -0.037 0.000 1.071 44 I HN 0.211 nan 8.210 nan 0.000 0.419 45 E N 0.811 120.977 120.200 -0.056 0.000 2.051 45 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 45 E C 2.135 178.708 176.600 -0.044 0.000 0.991 45 E CA 2.153 58.490 56.400 -0.106 0.000 0.799 45 E CB 0.012 29.626 29.700 -0.144 0.000 0.748 45 E HN 0.548 nan 8.360 nan 0.000 0.449 46 T N -0.875 113.677 114.554 -0.003 0.000 2.881 46 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 46 T C 1.435 176.168 174.700 0.055 0.000 1.068 46 T CA 1.117 63.243 62.100 0.044 0.000 1.131 46 T CB -0.252 68.636 68.868 0.033 0.000 0.871 46 T HN 0.024 nan 8.240 nan 0.000 0.479 47 N N 0.747 119.464 118.700 0.029 0.000 2.461 47 N HA 0.232 4.972 4.740 -0.000 0.000 0.188 47 N C 0.041 175.578 175.510 0.045 0.000 1.134 47 N CA 0.121 53.189 53.050 0.030 0.000 0.878 47 N CB -0.369 38.120 38.487 0.005 0.000 0.972 47 N HN 0.573 nan 8.380 nan 0.000 0.456 48 M N 1.119 120.761 119.600 0.070 0.000 2.292 48 M HA 0.073 4.553 4.480 -0.000 0.000 0.342 48 M C -0.548 175.809 176.300 0.095 0.000 1.538 48 M CA 0.537 55.897 55.300 0.099 0.000 1.163 48 M CB 0.379 33.073 32.600 0.157 0.000 1.823 48 M HN -0.180 nan 8.290 nan 0.000 0.462 49 D N 2.572 122.998 120.400 0.043 0.000 2.433 49 D HA 0.583 5.223 4.640 -0.000 0.000 0.236 49 D C -0.946 175.334 176.300 -0.033 0.000 1.026 49 D CA -0.281 53.714 54.000 -0.008 0.000 0.884 49 D CB 2.213 43.059 40.800 0.077 0.000 1.384 49 D HN 0.427 nan 8.370 nan 0.000 0.477 50 E N 0.802 120.923 120.200 -0.131 0.000 2.388 50 E HA 0.217 4.567 4.350 -0.000 0.000 0.289 50 E C -1.789 174.774 176.600 -0.062 0.000 0.944 50 E CA -0.597 55.764 56.400 -0.064 0.000 0.792 50 E CB 0.845 30.516 29.700 -0.048 0.000 1.239 50 E HN 0.078 nan 8.360 nan 0.000 0.412 51 N N 4.378 123.109 118.700 0.053 0.000 2.589 51 N HA 0.248 4.988 4.740 -0.000 0.000 0.232 51 N C -0.992 174.583 175.510 0.108 0.000 1.015 51 N CA -0.519 52.604 53.050 0.120 0.000 0.931 51 N CB 0.662 39.244 38.487 0.159 0.000 1.150 51 N HN 0.381 nan 8.380 nan 0.000 0.512 52 L N 1.869 123.114 121.223 0.037 0.000 2.410 52 L HA 0.185 4.525 4.340 -0.000 0.000 0.273 52 L C 0.985 177.792 176.870 -0.106 0.000 1.144 52 L CA 0.245 55.075 54.840 -0.018 0.000 0.863 52 L CB 0.179 42.230 42.059 -0.014 0.000 1.140 52 L HN 0.251 nan 8.230 nan 0.000 0.463 53 R N 5.415 125.772 120.500 -0.239 0.000 2.207 53 R HA 0.505 4.845 4.340 -0.000 0.000 0.334 53 R C -1.109 174.932 176.300 -0.433 0.000 1.013 53 R CA -0.365 55.425 56.100 -0.517 0.000 0.858 53 R CB 0.343 30.342 30.300 -0.501 0.000 1.094 53 R HN 0.614 nan 8.270 nan 0.000 0.457 54 I N 7.715 128.051 120.570 -0.391 0.000 2.382 54 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 54 I C -2.018 173.967 176.117 -0.221 0.000 1.007 54 I CA -2.524 58.625 61.300 -0.252 0.000 1.142 54 I CB 2.019 39.901 38.000 -0.197 0.000 1.289 54 I HN 0.442 nan 8.210 nan 0.000 0.453 55 P HA 0.161 nan 4.420 nan 0.000 0.271 55 P C -0.683 176.592 177.300 -0.041 0.000 1.216 55 P CA 0.054 63.089 63.100 -0.107 0.000 0.771 55 P CB 1.754 33.402 31.700 -0.087 0.000 0.864 56 V N 3.102 123.021 119.914 0.009 0.000 3.078 56 V HA 0.484 4.604 4.120 -0.000 0.000 0.311 56 V C 0.035 176.244 176.094 0.192 0.000 1.138 56 V CA -0.474 61.879 62.300 0.088 0.000 1.007 56 V CB 2.592 34.439 31.823 0.040 0.000 1.045 56 V HN 0.481 nan 8.190 nan 0.000 0.432 57 T N 2.432 117.129 114.554 0.238 0.000 2.809 57 T HA 0.585 4.935 4.350 -0.000 0.000 0.284 57 T C -0.065 174.811 174.700 0.292 0.000 0.992 57 T CA -0.188 62.052 62.100 0.234 0.000 0.957 57 T CB 1.421 70.368 68.868 0.132 0.000 0.942 57 T HN 0.968 nan 8.240 nan 0.000 0.439 58 A N 3.263 126.229 122.820 0.243 0.000 2.457 58 A HA 0.291 4.611 4.320 -0.000 0.000 0.298 58 A C 0.476 177.998 177.584 -0.104 0.000 1.288 58 A CA -0.352 51.563 52.037 -0.203 0.000 0.956 58 A CB -0.277 18.216 19.000 -0.845 0.000 1.135 58 A HN 0.853 nan 8.150 nan 0.000 0.535 59 E N 3.358 123.632 120.200 0.125 0.000 2.104 59 E HA 0.263 4.613 4.350 -0.000 0.000 0.278 59 E C -0.423 176.345 176.600 0.280 0.000 1.127 59 E CA -0.411 56.096 56.400 0.179 0.000 0.897 59 E CB 0.411 30.225 29.700 0.191 0.000 1.043 59 E HN 0.464 nan 8.360 nan 0.000 0.410 60 V N 4.846 124.880 119.914 0.200 0.000 2.625 60 V HA 0.003 4.123 4.120 -0.000 0.000 0.305 60 V C 1.489 177.686 176.094 0.171 0.000 1.055 60 V CA 1.744 64.178 62.300 0.223 0.000 1.209 60 V CB 0.415 32.313 31.823 0.126 0.000 0.877 60 V HN 1.091 nan 8.190 nan 0.000 0.489 61 G N 4.023 112.908 108.800 0.143 0.000 2.159 61 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 61 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 61 G C 0.813 175.736 174.900 0.038 0.000 0.977 61 G CA 0.902 46.035 45.100 0.054 0.000 0.652 61 G HN 1.314 nan 8.290 nan 0.000 0.531 62 S N -1.425 114.321 115.700 0.077 0.000 2.554 62 S HA 0.456 4.926 4.470 -0.000 0.000 0.227 62 S C 2.167 176.720 174.600 -0.077 0.000 1.050 62 S CA 1.417 59.672 58.200 0.092 0.000 0.927 62 S CB 0.561 63.900 63.200 0.231 0.000 0.859 62 S HN 2.264 nan 8.310 nan 0.000 0.494 63 G N 0.402 109.033 108.800 -0.283 0.000 2.155 63 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 63 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 63 G C -0.193 174.370 174.900 -0.561 0.000 0.983 63 G CA 0.658 45.357 45.100 -0.669 0.000 0.676 63 G HN 0.625 nan 8.290 nan 0.000 0.528 64 Y N -1.453 118.904 120.300 0.095 0.000 2.512 64 Y HA 0.643 5.193 4.550 -0.000 0.000 0.348 64 Y C 0.230 176.238 175.900 0.180 0.000 0.990 64 Y CA -1.305 56.872 58.100 0.129 0.000 1.033 64 Y CB 1.474 40.007 38.460 0.121 0.000 1.259 64 Y HN 0.029 nan 8.280 nan 0.000 0.461 65 F N 3.758 123.978 119.950 0.451 0.000 2.411 65 F HA 0.345 4.872 4.527 -0.000 0.000 0.355 65 F C 0.113 176.051 175.800 0.229 0.000 1.117 65 F CA -0.724 57.438 58.000 0.270 0.000 1.139 65 F CB 0.669 39.800 39.000 0.219 0.000 1.120 65 F HN 0.162 nan 8.300 nan 0.000 0.493 66 K N 6.079 126.692 120.400 0.357 0.000 2.130 66 K HA 0.518 4.838 4.320 -0.000 0.000 0.268 66 K C -0.359 176.342 176.600 0.169 0.000 0.983 66 K CA -0.478 55.941 56.287 0.220 0.000 0.893 66 K CB 1.927 34.525 32.500 0.163 0.000 1.066 66 K HN 0.699 nan 8.250 nan 0.000 0.450 67 M N -0.672 118.998 119.600 0.117 0.000 2.602 67 M HA 0.468 4.948 4.480 -0.000 0.000 0.312 67 M C -0.420 175.909 176.300 0.049 0.000 1.181 67 M CA -0.722 54.620 55.300 0.069 0.000 0.910 67 M CB 1.786 34.409 32.600 0.039 0.000 1.723 67 M HN 0.123 nan 8.290 nan 0.000 0.459 68 T N 0.717 115.291 114.554 0.035 0.000 2.829 68 T HA 0.269 4.619 4.350 -0.000 0.000 0.282 68 T C -0.744 173.973 174.700 0.028 0.000 0.990 68 T CA -0.375 61.743 62.100 0.030 0.000 1.028 68 T CB 0.890 69.773 68.868 0.026 0.000 0.951 68 T HN 0.598 nan 8.240 nan 0.000 0.460 69 D N 1.992 122.407 120.400 0.025 0.000 2.531 69 D HA 0.325 4.965 4.640 -0.000 0.000 0.239 69 D C -0.315 176.005 176.300 0.032 0.000 1.144 69 D CA 0.730 54.744 54.000 0.022 0.000 0.869 69 D CB 0.350 41.160 40.800 0.016 0.000 1.160 69 D HN 0.151 nan 8.370 nan 0.000 0.484 70 V N 0.975 120.915 119.914 0.042 0.000 3.216 70 V HA 0.588 4.707 4.120 -0.000 0.000 0.302 70 V C -0.580 175.547 176.094 0.053 0.000 1.286 70 V CA -0.948 61.399 62.300 0.078 0.000 1.048 70 V CB 2.373 34.284 31.823 0.147 0.000 1.081 70 V HN 0.437 nan 8.190 nan 0.000 0.442 71 S N 1.799 117.542 115.700 0.072 0.000 2.614 71 S HA 0.903 5.373 4.470 -0.000 0.000 0.288 71 S C -1.270 173.377 174.600 0.079 0.000 1.137 71 S CA -0.453 57.731 58.200 -0.027 0.000 0.992 71 S CB 0.859 64.044 63.200 -0.025 0.000 1.026 71 S HN 1.011 nan 8.310 nan 0.000 0.486 72 F N 1.028 120.963 119.950 -0.026 0.000 2.685 72 F HA 0.724 5.251 4.527 -0.000 0.000 0.315 72 F C -1.171 174.614 175.800 -0.025 0.000 1.126 72 F CA -1.065 56.919 58.000 -0.026 0.000 0.950 72 F CB 0.908 39.887 39.000 -0.035 0.000 1.360 72 F HN 0.268 nan 8.300 nan 0.000 0.469 73 D N 1.309 121.863 120.400 0.256 0.000 2.391 73 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 73 D C -1.258 175.163 176.300 0.202 0.000 1.069 73 D CA -0.192 53.890 54.000 0.137 0.000 0.831 73 D CB 2.194 43.034 40.800 0.067 0.000 1.204 73 D HN 0.618 nan 8.370 nan 0.000 0.503 74 S N 1.522 117.316 115.700 0.156 0.000 2.451 74 S HA 0.143 4.613 4.470 -0.000 0.000 0.301 74 S C 0.698 175.337 174.600 0.065 0.000 1.116 74 S CA -0.622 57.657 58.200 0.132 0.000 1.093 74 S CB 1.231 64.520 63.200 0.149 0.000 1.017 74 S HN 0.157 nan 8.310 nan 0.000 0.482 75 D N 3.443 123.872 120.400 0.048 0.000 2.221 75 D HA -0.055 4.585 4.640 -0.000 0.000 0.204 75 D C 1.477 177.791 176.300 0.024 0.000 0.982 75 D CA 1.474 55.491 54.000 0.028 0.000 0.857 75 D CB -0.005 40.807 40.800 0.020 0.000 0.934 75 D HN 0.617 nan 8.370 nan 0.000 0.475 76 T N -0.078 114.497 114.554 0.035 0.000 2.925 76 T HA 0.138 4.488 4.350 -0.000 0.000 0.245 76 T C 2.040 176.775 174.700 0.059 0.000 1.025 76 T CA 0.174 62.298 62.100 0.040 0.000 1.149 76 T CB 0.143 69.039 68.868 0.046 0.000 0.866 76 T HN 0.055 nan 8.240 nan 0.000 0.437 77 L N 0.426 121.688 121.223 0.066 0.000 2.446 77 L HA 0.319 4.659 4.340 -0.000 0.000 0.219 77 L C 1.629 178.512 176.870 0.023 0.000 1.116 77 L CA 0.173 55.056 54.840 0.072 0.000 0.844 77 L CB -0.708 41.376 42.059 0.041 0.000 0.970 77 L HN 0.523 nan 8.230 nan 0.000 0.457 78 G N 0.691 109.497 108.800 0.010 0.000 2.484 78 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.225 78 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.225 78 G C -0.438 174.430 174.900 -0.054 0.000 1.250 78 G CA -0.616 44.471 45.100 -0.021 0.000 0.926 78 G HN 0.145 nan 8.290 nan 0.000 0.581 79 K N 0.467 120.815 120.400 -0.086 0.000 2.312 79 K HA 0.537 4.857 4.320 -0.000 0.000 0.287 79 K C -0.091 176.368 176.600 -0.234 0.000 1.062 79 K CA 0.141 56.345 56.287 -0.139 0.000 0.934 79 K CB 0.715 33.157 32.500 -0.096 0.000 1.027 79 K HN 0.393 nan 8.250 nan 0.000 0.478 80 I N 3.220 123.521 120.570 -0.449 0.000 2.465 80 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 80 I C -0.418 175.312 176.117 -0.645 0.000 1.014 80 I CA -0.834 60.103 61.300 -0.605 0.000 1.093 80 I CB 1.763 39.203 38.000 -0.933 0.000 1.267 80 I HN 0.355 nan 8.210 nan 0.000 0.431 81 K N 6.644 126.835 120.400 -0.348 0.000 2.471 81 K HA 0.609 4.929 4.320 -0.000 0.000 0.252 81 K C -1.125 175.399 176.600 -0.126 0.000 0.938 81 K CA -0.590 55.569 56.287 -0.213 0.000 0.796 81 K CB 2.777 35.218 32.500 -0.099 0.000 1.161 81 K HN 0.480 nan 8.250 nan 0.000 0.425 82 I N 3.682 124.203 120.570 -0.082 0.000 2.315 82 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 82 I C -0.101 176.009 176.117 -0.010 0.000 1.006 82 I CA -0.604 60.674 61.300 -0.037 0.000 1.265 82 I CB 0.670 38.665 38.000 -0.009 0.000 1.387 82 I HN 0.295 nan 8.210 nan 0.000 0.475 83 R N 5.495 125.997 120.500 0.002 0.000 2.468 83 R HA 0.345 4.685 4.340 -0.000 0.000 0.302 83 R C -0.781 175.529 176.300 0.017 0.000 1.041 83 R CA -0.782 55.324 56.100 0.010 0.000 0.899 83 R CB 1.248 31.554 30.300 0.010 0.000 1.167 83 R HN 0.567 nan 8.270 nan 0.000 0.483 84 N N 0.250 118.959 118.700 0.015 0.000 2.453 84 N HA 0.058 4.798 4.740 -0.000 0.000 0.253 84 N C 1.095 176.610 175.510 0.008 0.000 1.252 84 N CA 1.282 54.341 53.050 0.015 0.000 0.917 84 N CB 0.936 39.431 38.487 0.014 0.000 1.117 84 N HN 0.787 nan 8.380 nan 0.000 0.442 85 G N 0.572 109.375 108.800 0.005 0.000 2.187 85 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.261 85 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.261 85 G C -0.148 174.749 174.900 -0.005 0.000 1.000 85 G CA 0.424 45.523 45.100 -0.002 0.000 0.718 85 G HN 0.433 nan 8.290 nan 0.000 0.519 86 K N 1.005 121.405 120.400 -0.001 0.000 2.172 86 K HA 0.552 4.872 4.320 -0.000 0.000 0.276 86 K C 0.880 177.471 176.600 -0.015 0.000 1.013 86 K CA 0.136 56.416 56.287 -0.013 0.000 0.913 86 K CB 1.589 34.080 32.500 -0.014 0.000 1.055 86 K HN 0.520 nan 8.250 nan 0.000 0.461 87 S N 0.707 116.388 115.700 -0.031 0.000 2.645 87 S HA 0.128 4.598 4.470 -0.000 0.000 0.266 87 S C 0.573 175.140 174.600 -0.056 0.000 1.258 87 S CA -0.439 57.741 58.200 -0.033 0.000 0.990 87 S CB 0.799 63.976 63.200 -0.038 0.000 0.967 87 S HN 0.421 nan 8.310 nan 0.000 0.556 88 D N 1.458 121.826 120.400 -0.053 0.000 2.133 88 D HA -0.085 4.555 4.640 -0.000 0.000 0.195 88 D C 2.197 178.391 176.300 -0.177 0.000 0.997 88 D CA 2.038 55.986 54.000 -0.086 0.000 0.840 88 D CB -0.856 39.913 40.800 -0.052 0.000 0.947 88 D HN 0.706 nan 8.370 nan 0.000 0.452 89 A N 0.530 123.264 122.820 -0.145 0.000 1.902 89 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 89 A C 2.100 179.559 177.584 -0.208 0.000 1.181 89 A CA 1.605 53.536 52.037 -0.176 0.000 0.623 89 A CB -0.639 18.295 19.000 -0.111 0.000 0.818 89 A HN 0.255 nan 8.150 nan 0.000 0.443 90 Q N -0.967 118.742 119.800 -0.152 0.000 2.124 90 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 90 Q C 2.178 178.069 176.000 -0.181 0.000 0.977 90 Q CA 1.571 57.292 55.803 -0.136 0.000 0.850 90 Q CB -0.314 28.375 28.738 -0.081 0.000 0.901 90 Q HN 0.724 nan 8.270 nan 0.000 0.429 91 M N 0.573 120.048 119.600 -0.208 0.000 2.108 91 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 91 M C 2.167 178.156 176.300 -0.518 0.000 1.066 91 M CA 1.421 56.592 55.300 -0.214 0.000 1.107 91 M CB -0.262 32.258 32.600 -0.133 0.000 1.356 91 M HN -0.000 nan 8.290 nan 0.000 0.406 92 K N 0.581 120.418 120.400 -0.938 0.000 2.515 92 K HA -0.124 4.196 4.320 -0.000 0.000 0.196 92 K C 1.153 177.337 176.600 -0.693 0.000 1.038 92 K CA 0.922 56.269 56.287 -1.567 0.000 0.967 92 K CB 0.135 31.919 32.500 -1.192 0.000 0.780 92 K HN 0.419 nan 8.250 nan 0.000 0.483 93 E N 0.142 120.130 120.200 -0.353 0.000 2.385 93 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 93 E C -0.164 176.407 176.600 -0.047 0.000 1.013 93 E CA -0.014 56.297 56.400 -0.148 0.000 0.866 93 E CB 0.342 29.975 29.700 -0.111 0.000 0.832 93 E HN 0.176 nan 8.360 nan 0.000 0.500 94 E N 1.570 121.757 120.200 -0.022 0.000 2.383 94 E HA -0.018 4.332 4.350 -0.000 0.000 0.264 94 E C -0.864 175.837 176.600 0.168 0.000 1.050 94 E CA 0.037 56.483 56.400 0.077 0.000 0.896 94 E CB 0.763 30.525 29.700 0.104 0.000 0.982 94 E HN -0.130 nan 8.360 nan 0.000 0.424 95 D N 2.047 122.508 120.400 0.102 0.000 2.479 95 D HA 0.510 5.150 4.640 -0.000 0.000 0.218 95 D C -1.400 174.936 176.300 0.060 0.000 1.131 95 D CA -0.054 54.001 54.000 0.090 0.000 0.916 95 D CB -0.087 40.741 40.800 0.046 0.000 1.022 95 D HN 0.455 nan 8.370 nan 0.000 0.515 96 A N 2.959 125.823 122.820 0.073 0.000 2.586 96 A HA 0.313 4.633 4.320 -0.000 0.000 0.290 96 A C 0.196 177.721 177.584 -0.098 0.000 1.086 96 A CA -0.701 51.326 52.037 -0.016 0.000 0.665 96 A CB 0.996 19.982 19.000 -0.023 0.000 1.279 96 A HN 0.328 nan 8.150 nan 0.000 0.423 97 D N -0.395 119.921 120.400 -0.140 0.000 2.183 97 D HA 0.145 4.785 4.640 -0.000 0.000 0.205 97 D C 0.054 176.194 176.300 -0.267 0.000 0.962 97 D CA 1.431 55.313 54.000 -0.195 0.000 0.849 97 D CB 0.239 40.965 40.800 -0.124 0.000 0.978 97 D HN 0.385 nan 8.370 nan 0.000 0.488 98 L N 0.866 121.971 121.223 -0.196 0.000 2.436 98 L HA 0.393 4.733 4.340 -0.000 0.000 0.268 98 L C -0.957 175.870 176.870 -0.072 0.000 0.974 98 L CA -0.745 53.996 54.840 -0.165 0.000 0.826 98 L CB 3.221 45.193 42.059 -0.144 0.000 1.291 98 L HN -0.356 nan 8.230 nan 0.000 0.406 99 V N 4.031 123.981 119.914 0.061 0.000 2.495 99 V HA 0.512 4.632 4.120 -0.000 0.000 0.298 99 V C -0.171 175.981 176.094 0.097 0.000 1.031 99 V CA -0.347 62.022 62.300 0.115 0.000 0.871 99 V CB 2.305 34.297 31.823 0.283 0.000 0.988 99 V HN 0.501 nan 8.190 nan 0.000 0.432 100 I N 3.634 124.217 120.570 0.023 0.000 2.406 100 I HA 0.513 4.683 4.170 -0.000 0.000 0.290 100 I C -0.237 175.907 176.117 0.045 0.000 0.999 100 I CA -0.084 61.225 61.300 0.015 0.000 1.124 100 I CB 2.094 39.990 38.000 -0.174 0.000 1.289 100 I HN 0.532 nan 8.210 nan 0.000 0.441 101 T N 7.172 121.805 114.554 0.132 0.000 2.890 101 T HA 0.358 4.708 4.350 -0.000 0.000 0.295 101 T C -2.604 172.206 174.700 0.183 0.000 0.993 101 T CA -1.249 60.921 62.100 0.117 0.000 0.979 101 T CB 1.828 70.751 68.868 0.093 0.000 0.967 101 T HN 0.315 nan 8.240 nan 0.000 0.441 102 P HA 0.267 nan 4.420 nan 0.000 0.269 102 P C -0.909 176.455 177.300 0.107 0.000 1.209 102 P CA -0.317 62.898 63.100 0.193 0.000 0.776 102 P CB 0.819 32.600 31.700 0.137 0.000 0.876 103 V N 3.338 123.314 119.914 0.103 0.000 2.444 103 V HA 0.157 4.277 4.120 -0.000 0.000 0.294 103 V C 0.580 176.646 176.094 -0.046 0.000 1.022 103 V CA -0.408 61.912 62.300 0.033 0.000 0.850 103 V CB 1.586 33.449 31.823 0.067 0.000 0.992 103 V HN 0.448 nan 8.190 nan 0.000 0.426 104 E N 4.060 124.155 120.200 -0.174 0.000 2.122 104 E HA 0.236 4.586 4.350 -0.000 0.000 0.288 104 E C 1.011 177.606 176.600 -0.009 0.000 1.260 104 E CA -0.001 56.169 56.400 -0.382 0.000 1.344 104 E CB 1.052 30.449 29.700 -0.506 0.000 1.337 104 E HN 0.861 nan 8.360 nan 0.000 0.484 105 G N 1.233 110.101 108.800 0.112 0.000 3.393 105 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.255 105 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.255 105 G C 0.849 175.833 174.900 0.141 0.000 1.097 105 G CA -0.715 44.451 45.100 0.110 0.000 0.780 105 G HN 0.322 nan 8.290 nan 0.000 0.540 106 R N -0.383 120.268 120.500 0.251 0.000 3.251 106 R HA -0.248 4.092 4.340 -0.000 0.000 0.249 106 R C 1.399 177.728 176.300 0.048 0.000 0.949 106 R CA 0.744 56.916 56.100 0.121 0.000 0.645 106 R CB -1.666 28.675 30.300 0.068 0.000 1.065 106 R HN 0.385 nan 8.270 nan 0.000 0.452 107 A N -0.301 122.554 122.820 0.059 0.000 2.206 107 A HA 0.191 4.511 4.320 -0.000 0.000 0.211 107 A C 0.295 177.866 177.584 -0.022 0.000 1.158 107 A CA 0.522 52.567 52.037 0.013 0.000 0.761 107 A CB 0.286 19.293 19.000 0.012 0.000 0.801 107 A HN 0.188 nan 8.150 nan 0.000 0.473 108 L N -0.265 120.935 121.223 -0.038 0.000 2.381 108 L HA 0.330 4.670 4.340 -0.000 0.000 0.274 108 L C -0.016 176.792 176.870 -0.104 0.000 0.988 108 L CA -0.621 54.174 54.840 -0.076 0.000 0.824 108 L CB 1.801 43.808 42.059 -0.086 0.000 1.263 108 L HN 0.356 nan 8.230 nan 0.000 0.410 109 E N 3.420 123.565 120.200 -0.093 0.000 2.324 109 E HA 0.477 4.827 4.350 -0.000 0.000 0.271 109 E C -1.523 175.000 176.600 -0.129 0.000 1.028 109 E CA -0.075 56.267 56.400 -0.097 0.000 0.890 109 E CB 0.752 30.408 29.700 -0.074 0.000 1.004 109 E HN 0.433 nan 8.360 nan 0.000 0.431 110 V N 3.380 123.202 119.914 -0.153 0.000 3.012 110 V HA 0.197 4.317 4.120 -0.000 0.000 0.307 110 V C -0.481 175.512 176.094 -0.168 0.000 1.166 110 V CA -0.950 61.237 62.300 -0.189 0.000 0.974 110 V CB 2.546 34.194 31.823 -0.292 0.000 1.040 110 V HN 0.695 nan 8.190 nan 0.000 0.428 111 T N 2.262 116.722 114.554 -0.157 0.000 3.016 111 T HA 0.204 4.554 4.350 -0.000 0.000 0.335 111 T C 1.210 175.815 174.700 -0.159 0.000 1.176 111 T CA -0.064 61.961 62.100 -0.125 0.000 0.987 111 T CB 1.030 69.844 68.868 -0.089 0.000 1.073 111 T HN 0.442 nan 8.240 nan 0.000 0.547 112 V N 3.432 123.243 119.914 -0.171 0.000 2.313 112 V HA -0.251 3.869 4.120 -0.000 0.000 0.253 112 V C 2.578 178.587 176.094 -0.141 0.000 1.070 112 V CA 2.631 64.817 62.300 -0.191 0.000 1.057 112 V CB -0.750 30.994 31.823 -0.132 0.000 0.653 112 V HN 0.944 nan 8.190 nan 0.000 0.450 113 G N -1.939 106.809 108.800 -0.087 0.000 2.509 113 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 113 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 113 G C 1.381 176.256 174.900 -0.042 0.000 1.124 113 G CA 0.469 45.540 45.100 -0.049 0.000 0.776 113 G HN 0.600 nan 8.290 nan 0.000 0.547 114 Q N -0.238 119.521 119.800 -0.068 0.000 2.245 114 Q HA 0.019 4.359 4.340 -0.000 0.000 0.201 114 Q C 0.512 176.500 176.000 -0.020 0.000 0.955 114 Q CA 0.141 55.919 55.803 -0.041 0.000 0.870 114 Q CB 0.113 28.820 28.738 -0.051 0.000 0.945 114 Q HN 0.346 nan 8.270 nan 0.000 0.461 115 N N -0.027 118.621 118.700 -0.086 0.000 2.740 115 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 115 N C 0.158 175.769 175.510 0.169 0.000 1.062 115 N CA 0.664 53.712 53.050 -0.003 0.000 0.704 115 N CB -1.133 37.470 38.487 0.194 0.000 0.968 115 N HN 0.323 nan 8.380 nan 0.000 0.547 116 L N -1.392 119.846 121.223 0.026 0.000 2.467 116 L HA 0.108 4.448 4.340 -0.000 0.000 0.213 116 L C 0.568 177.564 176.870 0.209 0.000 1.053 116 L CA 0.859 55.811 54.840 0.185 0.000 0.847 116 L CB 0.345 42.453 42.059 0.082 0.000 1.075 116 L HN -0.027 nan 8.230 nan 0.000 0.479 117 T N 0.477 114.964 114.554 -0.112 0.000 2.792 117 T HA 0.551 4.901 4.350 -0.000 0.000 0.280 117 T C -1.022 173.394 174.700 -0.474 0.000 0.990 117 T CA -0.179 61.832 62.100 -0.147 0.000 0.960 117 T CB 1.324 70.091 68.868 -0.169 0.000 0.939 117 T HN -0.233 nan 8.240 nan 0.000 0.439 118 F N 1.469 121.267 119.950 -0.253 0.000 2.532 118 F HA 0.478 5.005 4.527 -0.000 0.000 0.321 118 F C 0.490 176.060 175.800 -0.383 0.000 1.089 118 F CA -1.154 56.517 58.000 -0.547 0.000 0.926 118 F CB 1.775 40.033 39.000 -1.237 0.000 1.168 118 F HN 0.459 nan 8.300 nan 0.000 0.459 119 E N 0.882 121.015 120.200 -0.111 0.000 2.175 119 E HA 0.536 4.886 4.350 -0.000 0.000 0.278 119 E C 0.238 177.122 176.600 0.472 0.000 0.969 119 E CA -0.340 56.148 56.400 0.145 0.000 0.796 119 E CB 1.397 31.110 29.700 0.022 0.000 1.104 119 E HN 0.871 nan 8.360 nan 0.000 0.395 120 G N 3.088 112.211 108.800 0.538 0.000 3.651 120 G HA2 0.028 3.988 3.960 -0.000 0.000 0.279 120 G HA3 0.028 3.988 3.960 -0.000 0.000 0.279 120 G C 0.094 175.265 174.900 0.453 0.000 1.024 120 G CA -0.219 45.231 45.100 0.583 0.000 0.813 120 G HN 0.517 nan 8.290 nan 0.000 0.518 121 T N 1.995 116.725 114.554 0.293 0.000 2.891 121 T HA 0.304 4.654 4.350 -0.000 0.000 0.296 121 T C -0.381 174.460 174.700 0.236 0.000 1.025 121 T CA 0.809 62.987 62.100 0.130 0.000 1.149 121 T CB -0.083 68.842 68.868 0.095 0.000 1.007 121 T HN 0.434 nan 8.240 nan 0.000 0.528 122 F N 0.107 120.173 119.950 0.193 0.000 2.645 122 F HA 0.759 5.286 4.527 -0.000 0.000 0.310 122 F C -0.723 175.174 175.800 0.162 0.000 1.102 122 F CA -1.710 56.385 58.000 0.158 0.000 0.952 122 F CB 1.561 40.653 39.000 0.154 0.000 1.326 122 F HN 0.473 nan 8.300 nan 0.000 0.456 123 K N 1.253 121.874 120.400 0.369 0.000 2.281 123 K HA 0.870 5.190 4.320 -0.000 0.000 0.242 123 K C -1.676 175.131 176.600 0.344 0.000 0.971 123 K CA -1.099 55.344 56.287 0.260 0.000 0.834 123 K CB 2.624 35.221 32.500 0.162 0.000 1.181 123 K HN 1.002 nan 8.250 nan 0.000 0.435 124 V N 0.724 120.801 119.914 0.271 0.000 2.760 124 V HA 0.513 4.633 4.120 -0.000 0.000 0.309 124 V C -2.043 174.195 176.094 0.239 0.000 1.077 124 V CA -0.656 61.790 62.300 0.243 0.000 0.910 124 V CB 1.415 33.366 31.823 0.214 0.000 1.008 124 V HN 0.926 nan 8.190 nan 0.000 0.424 125 W N 5.997 127.321 121.300 0.039 0.000 2.331 125 W HA 0.473 5.133 4.660 -0.000 0.000 0.306 125 W C 0.154 176.680 176.519 0.013 0.000 1.162 125 W CA -0.762 56.597 57.345 0.023 0.000 1.232 125 W CB 0.835 30.303 29.460 0.014 0.000 1.235 125 W HN 0.850 nan 8.180 nan 0.000 0.479 126 N N 5.168 123.690 118.700 -0.296 0.000 2.602 126 N HA -0.006 4.734 4.740 -0.000 0.000 0.238 126 N C 0.103 175.165 175.510 -0.747 0.000 1.084 126 N CA -0.040 52.771 53.050 -0.399 0.000 0.952 126 N CB -0.092 38.301 38.487 -0.156 0.000 1.244 126 N HN 0.690 nan 8.380 nan 0.000 0.512 127 N N 2.844 120.909 118.700 -1.058 0.000 2.466 127 N HA 0.043 4.783 4.740 -0.000 0.000 0.251 127 N C -0.855 174.387 175.510 -0.447 0.000 1.164 127 N CA -0.025 52.391 53.050 -1.056 0.000 0.888 127 N CB 0.391 37.979 38.487 -1.498 0.000 1.177 127 N HN 0.386 nan 8.380 nan 0.000 0.498 128 T N -0.897 113.492 114.554 -0.274 0.000 2.942 128 T HA 0.100 4.450 4.350 -0.000 0.000 0.289 128 T C 1.155 175.812 174.700 -0.072 0.000 1.044 128 T CA -0.660 61.369 62.100 -0.118 0.000 1.023 128 T CB 1.724 70.604 68.868 0.020 0.000 1.123 128 T HN 0.207 nan 8.240 nan 0.000 0.512 129 S N 0.747 116.404 115.700 -0.072 0.000 2.720 129 S HA 0.143 4.613 4.470 -0.000 0.000 0.222 129 S C 0.589 175.167 174.600 -0.037 0.000 0.958 129 S CA -0.095 58.071 58.200 -0.057 0.000 0.943 129 S CB -0.165 62.991 63.200 -0.073 0.000 0.779 129 S HN 0.607 nan 8.310 nan 0.000 0.526 130 R N 0.744 121.252 120.500 0.014 0.000 2.643 130 R HA 0.334 4.674 4.340 -0.000 0.000 0.269 130 R C -1.350 175.072 176.300 0.203 0.000 1.037 130 R CA -0.748 55.400 56.100 0.079 0.000 0.894 130 R CB 1.142 31.441 30.300 -0.001 0.000 1.238 130 R HN 0.178 nan 8.270 nan 0.000 0.459 131 K N 3.820 124.300 120.400 0.134 0.000 2.491 131 K HA 0.020 4.340 4.320 -0.000 0.000 0.279 131 K C -0.629 176.018 176.600 0.078 0.000 1.026 131 K CA 0.347 56.686 56.287 0.087 0.000 1.070 131 K CB 0.368 32.904 32.500 0.060 0.000 0.887 131 K HN 0.490 nan 8.250 nan 0.000 0.481 132 I N 3.773 124.300 120.570 -0.072 0.000 2.648 132 I HA 0.258 4.428 4.170 -0.000 0.000 0.304 132 I C -0.893 175.097 176.117 -0.212 0.000 1.009 132 I CA -0.912 60.191 61.300 -0.330 0.000 1.114 132 I CB 1.501 39.205 38.000 -0.493 0.000 1.293 132 I HN 0.717 nan 8.210 nan 0.000 0.449 133 N N 7.637 126.184 118.700 -0.255 0.000 2.296 133 N HA 0.464 5.204 4.740 -0.000 0.000 0.294 133 N C -1.276 174.117 175.510 -0.196 0.000 1.033 133 N CA -0.381 52.581 53.050 -0.148 0.000 0.839 133 N CB 2.495 40.936 38.487 -0.076 0.000 1.395 133 N HN 0.400 nan 8.380 nan 0.000 0.479 134 I N 1.447 121.913 120.570 -0.173 0.000 2.330 134 I HA 0.174 4.344 4.170 -0.000 0.000 0.286 134 I C 0.908 176.910 176.117 -0.191 0.000 1.025 134 I CA -0.300 60.794 61.300 -0.343 0.000 1.197 134 I CB 1.061 38.718 38.000 -0.572 0.000 1.358 134 I HN 0.576 nan 8.210 nan 0.000 0.467 135 T N 0.596 115.085 114.554 -0.108 0.000 3.200 135 T HA 0.508 4.858 4.350 -0.000 0.000 0.284 135 T C 0.278 174.983 174.700 0.010 0.000 1.009 135 T CA -0.454 61.708 62.100 0.103 0.000 0.907 135 T CB 0.441 69.411 68.868 0.169 0.000 1.120 135 T HN 0.696 nan 8.240 nan 0.000 0.534 136 G N 0.922 109.519 108.800 -0.338 0.000 2.632 136 G HA2 0.570 4.530 3.960 -0.000 0.000 0.292 136 G HA3 0.570 4.530 3.960 -0.000 0.000 0.292 136 G C -2.059 172.490 174.900 -0.585 0.000 1.465 136 G CA -0.734 43.947 45.100 -0.697 0.000 0.824 136 G HN 0.317 nan 8.290 nan 0.000 0.509 137 M N 0.988 120.243 119.600 -0.575 0.000 2.365 137 M HA 0.554 5.034 4.480 -0.000 0.000 0.288 137 M C -2.194 174.156 176.300 0.084 0.000 1.152 137 M CA -0.504 54.746 55.300 -0.083 0.000 0.948 137 M CB 2.083 34.749 32.600 0.110 0.000 1.729 137 M HN 0.795 nan 8.290 nan 0.000 0.487 138 Q N 4.276 124.152 119.800 0.127 0.000 2.331 138 Q HA 0.557 4.897 4.340 -0.000 0.000 0.272 138 Q C -1.877 174.214 176.000 0.152 0.000 1.062 138 Q CA -0.673 55.215 55.803 0.141 0.000 0.806 138 Q CB 2.433 31.242 28.738 0.118 0.000 1.312 138 Q HN 0.784 nan 8.270 nan 0.000 0.431 139 M N 4.029 123.693 119.600 0.106 0.000 2.066 139 M HA 0.340 4.820 4.480 -0.000 0.000 0.340 139 M C -1.271 175.175 176.300 0.243 0.000 1.053 139 M CA -0.524 54.821 55.300 0.075 0.000 0.983 139 M CB 1.328 33.865 32.600 -0.105 0.000 1.520 139 M HN 0.443 nan 8.290 nan 0.000 0.428 140 V N 7.198 127.303 119.914 0.319 0.000 2.370 140 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 140 V C -2.165 174.161 176.094 0.387 0.000 1.029 140 V CA -1.771 60.724 62.300 0.324 0.000 0.870 140 V CB 1.391 33.387 31.823 0.290 0.000 0.984 140 V HN 0.608 nan 8.190 nan 0.000 0.451 141 P HA 0.113 nan 4.420 nan 0.000 0.267 141 P C -0.432 176.829 177.300 -0.065 0.000 1.205 141 P CA -0.190 62.959 63.100 0.081 0.000 0.765 141 P CB 0.454 32.306 31.700 0.254 0.000 0.828 142 K N 4.311 124.585 120.400 -0.210 0.000 2.322 142 K HA 0.221 4.541 4.320 -0.000 0.000 0.283 142 K C -0.135 176.427 176.600 -0.063 0.000 1.042 142 K CA -0.433 55.781 56.287 -0.122 0.000 0.958 142 K CB 0.113 32.528 32.500 -0.143 0.000 0.984 142 K HN 0.407 nan 8.250 nan 0.000 0.473 143 I N 5.061 125.611 120.570 -0.034 0.000 2.517 143 I HA -0.073 4.097 4.170 -0.000 0.000 0.285 143 I C 0.605 176.727 176.117 0.010 0.000 1.106 143 I CA -0.474 60.847 61.300 0.034 0.000 1.402 143 I CB 0.282 38.288 38.000 0.010 0.000 1.399 143 I HN 0.753 nan 8.210 nan 0.000 0.535 144 N N 7.839 126.551 118.700 0.020 0.000 2.379 144 N HA 0.265 5.005 4.740 -0.000 0.000 0.260 144 N C -2.148 173.362 175.510 0.001 0.000 1.254 144 N CA -1.866 51.179 53.050 -0.007 0.000 0.958 144 N CB -0.215 38.260 38.487 -0.019 0.000 1.208 144 N HN 0.158 nan 8.380 nan 0.000 0.532 145 P HA -0.038 nan 4.420 nan 0.000 0.219 145 P C 0.340 177.641 177.300 0.001 0.000 1.146 145 P CA 1.312 64.409 63.100 -0.004 0.000 0.808 145 P CB 0.098 31.793 31.700 -0.009 0.000 0.779 146 S N -0.930 114.770 115.700 0.001 0.000 2.650 146 S HA 0.074 4.544 4.470 -0.000 0.000 0.219 146 S C 0.480 175.088 174.600 0.013 0.000 0.960 146 S CA 0.021 58.222 58.200 0.002 0.000 0.925 146 S CB -0.732 62.465 63.200 -0.006 0.000 0.775 146 S HN 0.205 nan 8.310 nan 0.000 0.525 147 K N -0.301 120.115 120.400 0.027 0.000 3.192 147 K HA -0.187 4.133 4.320 -0.000 0.000 0.278 147 K C -0.091 176.562 176.600 0.087 0.000 1.164 147 K CA 0.546 56.865 56.287 0.054 0.000 0.816 147 K CB -2.101 30.424 32.500 0.041 0.000 1.256 147 K HN 0.444 nan 8.250 nan 0.000 0.497 148 A N 0.701 123.566 122.820 0.075 0.000 2.386 148 A HA 0.917 5.237 4.320 -0.000 0.000 0.308 148 A C -0.534 177.139 177.584 0.148 0.000 1.128 148 A CA -0.730 51.338 52.037 0.051 0.000 0.789 148 A CB 0.926 19.903 19.000 -0.038 0.000 1.325 148 A HN 0.438 nan 8.150 nan 0.000 0.437 149 F N -1.287 118.641 119.950 -0.036 0.000 2.654 149 F HA 0.613 5.140 4.527 -0.000 0.000 0.308 149 F C -0.950 174.830 175.800 -0.033 0.000 1.108 149 F CA -1.275 56.693 58.000 -0.053 0.000 0.957 149 F CB 0.920 39.900 39.000 -0.034 0.000 1.309 149 F HN 0.287 nan 8.300 nan 0.000 0.446 150 V N 2.485 122.446 119.914 0.077 0.000 2.425 150 V HA 0.316 4.436 4.120 -0.000 0.000 0.276 150 V C 0.927 177.111 176.094 0.149 0.000 1.017 150 V CA 1.030 63.349 62.300 0.031 0.000 1.062 150 V CB 0.340 32.179 31.823 0.028 0.000 0.997 150 V HN 1.099 nan 8.190 nan 0.000 0.476 151 G N 3.359 112.139 108.800 -0.033 0.000 3.690 151 G HA2 0.221 4.181 3.960 -0.000 0.000 0.283 151 G HA3 0.221 4.181 3.960 -0.000 0.000 0.283 151 G C 0.599 175.567 174.900 0.113 0.000 1.057 151 G CA 0.374 45.504 45.100 0.050 0.000 0.821 151 G HN 0.742 nan 8.290 nan 0.000 0.526 152 S N 0.169 115.960 115.700 0.152 0.000 2.641 152 S HA 0.491 4.961 4.470 -0.000 0.000 0.261 152 S C 0.881 175.608 174.600 0.212 0.000 1.257 152 S CA 0.104 58.400 58.200 0.161 0.000 0.983 152 S CB 0.875 64.180 63.200 0.175 0.000 0.990 152 S HN 0.668 nan 8.310 nan 0.000 0.572 153 S N 0.849 116.651 115.700 0.171 0.000 2.563 153 S HA 0.160 4.630 4.470 -0.000 0.000 0.284 153 S C -0.177 174.534 174.600 0.185 0.000 1.331 153 S CA -0.620 57.667 58.200 0.146 0.000 1.047 153 S CB -0.343 62.914 63.200 0.095 0.000 0.859 153 S HN 0.835 nan 8.310 nan 0.000 0.514 154 N N 1.418 120.191 118.700 0.122 0.000 2.558 154 N HA 0.283 5.023 4.740 -0.000 0.000 0.285 154 N C -1.890 173.600 175.510 -0.035 0.000 1.112 154 N CA -0.306 52.770 53.050 0.044 0.000 0.857 154 N CB 1.895 40.507 38.487 0.207 0.000 1.376 154 N HN 0.697 nan 8.380 nan 0.000 0.526 155 T N 1.660 116.135 114.554 -0.132 0.000 2.847 155 T HA 0.417 4.767 4.350 -0.000 0.000 0.291 155 T C -0.438 174.202 174.700 -0.101 0.000 0.998 155 T CA -0.338 61.715 62.100 -0.078 0.000 0.967 155 T CB 0.976 69.809 68.868 -0.058 0.000 0.954 155 T HN 0.267 nan 8.240 nan 0.000 0.441 156 S N 2.249 117.934 115.700 -0.026 0.000 2.651 156 S HA 0.860 5.330 4.470 -0.000 0.000 0.291 156 S C -0.002 174.622 174.600 0.040 0.000 1.141 156 S CA -0.852 57.366 58.200 0.030 0.000 1.027 156 S CB 1.331 64.604 63.200 0.122 0.000 1.043 156 S HN 0.872 nan 8.310 nan 0.000 0.530 157 S N 0.985 116.708 115.700 0.038 0.000 2.588 157 S HA 0.929 5.398 4.470 -0.000 0.000 0.275 157 S C -1.098 173.482 174.600 -0.034 0.000 1.130 157 S CA -0.906 57.218 58.200 -0.127 0.000 0.855 157 S CB 1.283 64.389 63.200 -0.157 0.000 1.116 157 S HN 0.811 nan 8.310 nan 0.000 0.472 158 F N -2.231 117.637 119.950 -0.137 0.000 2.807 158 F HA 0.764 5.291 4.527 -0.000 0.000 0.316 158 F C -1.272 174.378 175.800 -0.250 0.000 1.162 158 F CA -0.908 56.903 58.000 -0.315 0.000 0.910 158 F CB 1.118 39.884 39.000 -0.390 0.000 1.314 158 F HN 0.494 nan 8.300 nan 0.000 0.454 159 T N 2.372 116.846 114.554 -0.134 0.000 2.864 159 T HA 0.489 4.839 4.350 -0.000 0.000 0.310 159 T C -2.832 171.969 174.700 0.168 0.000 1.040 159 T CA -1.234 60.851 62.100 -0.026 0.000 0.977 159 T CB 1.263 70.081 68.868 -0.084 0.000 0.976 159 T HN 0.306 nan 8.240 nan 0.000 0.459 160 P HA 0.206 nan 4.420 nan 0.000 0.266 160 P C -0.826 176.634 177.300 0.267 0.000 1.193 160 P CA -0.296 63.060 63.100 0.426 0.000 0.770 160 P CB 0.597 32.489 31.700 0.320 0.000 0.836 161 V N 1.632 121.693 119.914 0.245 0.000 2.932 161 V HA 0.572 4.692 4.120 -0.000 0.000 0.307 161 V C -1.046 175.093 176.094 0.074 0.000 1.147 161 V CA -0.469 61.917 62.300 0.144 0.000 0.951 161 V CB 2.374 34.291 31.823 0.156 0.000 1.031 161 V HN 0.664 nan 8.190 nan 0.000 0.426 162 S N 6.845 122.576 115.700 0.051 0.000 2.454 162 S HA 0.806 5.276 4.470 -0.000 0.000 0.306 162 S C -0.820 173.793 174.600 0.023 0.000 1.100 162 S CA -0.672 57.540 58.200 0.020 0.000 1.087 162 S CB 1.373 64.589 63.200 0.026 0.000 1.019 162 S HN 0.675 nan 8.310 nan 0.000 0.480 163 I N 2.593 123.165 120.570 0.003 0.000 2.410 163 I HA 0.348 4.517 4.170 -0.000 0.000 0.286 163 I C -0.655 175.471 176.117 0.015 0.000 1.009 163 I CA -0.788 60.524 61.300 0.019 0.000 1.111 163 I CB 1.584 39.595 38.000 0.018 0.000 1.262 163 I HN 0.554 nan 8.210 nan 0.000 0.443 164 D N 5.114 125.534 120.400 0.034 0.000 2.371 164 D HA 0.113 4.753 4.640 -0.000 0.000 0.242 164 D C 0.113 176.433 176.300 0.032 0.000 1.218 164 D CA -0.188 53.834 54.000 0.036 0.000 0.945 164 D CB 0.690 41.515 40.800 0.042 0.000 1.137 164 D HN 0.446 nan 8.370 nan 0.000 0.464 165 E N 0.357 120.573 120.200 0.028 0.000 2.558 165 E HA -0.076 4.274 4.350 -0.000 0.000 0.255 165 E C 0.127 176.753 176.600 0.044 0.000 0.968 165 E CA 0.543 56.949 56.400 0.011 0.000 0.939 165 E CB 0.237 29.945 29.700 0.013 0.000 0.921 165 E HN 0.413 nan 8.360 nan 0.000 0.477 166 D N 1.309 121.723 120.400 0.023 0.000 2.978 166 D HA -0.203 4.437 4.640 -0.000 0.000 0.205 166 D C -0.605 175.914 176.300 0.364 0.000 1.093 166 D CA 1.589 55.728 54.000 0.231 0.000 1.006 166 D CB -0.428 40.520 40.800 0.247 0.000 1.116 166 D HN 0.575 nan 8.370 nan 0.000 0.419 167 E N -0.571 119.755 120.200 0.209 0.000 2.342 167 E HA 0.471 4.821 4.350 -0.000 0.000 0.257 167 E C -0.207 176.562 176.600 0.281 0.000 1.150 167 E CA -0.677 55.849 56.400 0.210 0.000 0.926 167 E CB 1.643 31.414 29.700 0.118 0.000 1.074 167 E HN -0.021 nan 8.360 nan 0.000 0.449 168 V N 0.976 121.018 119.914 0.214 0.000 2.444 168 V HA 0.538 4.658 4.120 -0.000 0.000 0.294 168 V C 0.165 176.337 176.094 0.131 0.000 1.022 168 V CA -0.607 61.815 62.300 0.204 0.000 0.850 168 V CB 1.559 33.478 31.823 0.160 0.000 0.992 168 V HN 0.747 nan 8.190 nan 0.000 0.426 169 G N 2.204 111.079 108.800 0.125 0.000 2.481 169 G HA2 0.716 4.676 3.960 -0.000 0.000 0.315 169 G HA3 0.716 4.676 3.960 -0.000 0.000 0.315 169 G C -0.404 174.554 174.900 0.097 0.000 1.231 169 G CA -0.515 44.642 45.100 0.095 0.000 0.968 169 G HN 0.707 nan 8.290 nan 0.000 0.482 170 T N -1.627 112.970 114.554 0.071 0.000 2.794 170 T HA 0.588 4.938 4.350 -0.000 0.000 0.280 170 T C -1.096 173.621 174.700 0.029 0.000 0.987 170 T CA -0.656 61.470 62.100 0.043 0.000 0.993 170 T CB 1.565 70.449 68.868 0.027 0.000 0.939 170 T HN 0.371 nan 8.240 nan 0.000 0.449 171 F N 4.477 124.248 119.950 -0.299 0.000 2.311 171 F HA 0.538 5.065 4.527 -0.000 0.000 0.371 171 F C -0.563 175.032 175.800 -0.342 0.000 1.083 171 F CA -1.438 56.336 58.000 -0.378 0.000 1.113 171 F CB 0.444 39.024 39.000 -0.701 0.000 1.349 171 F HN 0.491 nan 8.300 nan 0.000 0.470 172 V N 5.916 125.560 119.914 -0.450 0.000 2.572 172 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 172 V C 0.251 176.026 176.094 -0.531 0.000 1.039 172 V CA -0.047 62.044 62.300 -0.348 0.000 1.055 172 V CB 0.202 31.911 31.823 -0.190 0.000 0.969 172 V HN 0.988 nan 8.190 nan 0.000 0.482 173 C N 2.623 121.751 119.300 -0.286 0.000 3.285 173 C HA 1.031 5.491 4.460 -0.000 0.000 0.325 173 C C -0.084 174.949 174.990 0.070 0.000 1.304 173 C CA -0.067 58.861 59.018 -0.151 0.000 1.319 173 C CB 1.176 28.807 27.740 -0.182 0.000 1.640 173 C HN 1.326 nan 8.230 nan 0.000 0.477 174 G N 0.261 109.138 108.800 0.129 0.000 2.506 174 G HA2 0.777 4.737 3.960 -0.000 0.000 0.292 174 G HA3 0.777 4.737 3.960 -0.000 0.000 0.292 174 G C -1.488 173.514 174.900 0.170 0.000 1.425 174 G CA -0.235 44.990 45.100 0.210 0.000 0.788 174 G HN 1.146 nan 8.290 nan 0.000 0.490 175 T N 0.201 114.864 114.554 0.182 0.000 2.933 175 T HA 0.685 5.035 4.350 -0.000 0.000 0.305 175 T C -0.803 173.742 174.700 -0.258 0.000 1.092 175 T CA -0.419 61.636 62.100 -0.075 0.000 1.008 175 T CB 1.980 70.755 68.868 -0.155 0.000 1.102 175 T HN 0.539 nan 8.240 nan 0.000 0.469 176 T N 2.807 117.147 114.554 -0.358 0.000 2.807 176 T HA 0.670 5.020 4.350 -0.000 0.000 0.279 176 T C -0.858 173.613 174.700 -0.382 0.000 0.993 176 T CA -0.414 61.535 62.100 -0.252 0.000 0.970 176 T CB 0.294 69.097 68.868 -0.109 0.000 0.950 176 T HN 0.337 nan 8.240 nan 0.000 0.441 177 F N 0.412 120.434 119.950 0.120 0.000 2.470 177 F HA 0.540 5.067 4.527 -0.000 0.000 0.329 177 F C 1.593 177.452 175.800 0.098 0.000 1.072 177 F CA -0.951 57.127 58.000 0.130 0.000 0.989 177 F CB 1.112 40.219 39.000 0.179 0.000 1.193 177 F HN 0.679 nan 8.300 nan 0.000 0.481 178 G N 0.665 109.631 108.800 0.276 0.000 2.598 178 G HA2 0.342 4.302 3.960 -0.000 0.000 0.215 178 G HA3 0.342 4.302 3.960 -0.000 0.000 0.215 178 G C 0.072 175.064 174.900 0.153 0.000 1.131 178 G CA 0.724 45.924 45.100 0.167 0.000 0.785 178 G HN 0.756 nan 8.290 nan 0.000 0.539 179 A N -0.574 122.363 122.820 0.194 0.000 2.539 179 A HA 0.761 5.080 4.320 -0.000 0.000 0.296 179 A C -2.987 174.690 177.584 0.155 0.000 1.073 179 A CA -1.408 50.710 52.037 0.136 0.000 0.700 179 A CB 1.301 20.359 19.000 0.096 0.000 1.296 179 A HN -0.021 nan 8.150 nan 0.000 0.405 180 P HA 0.165 nan 4.420 nan 0.000 0.266 180 P C -0.478 176.880 177.300 0.096 0.000 1.195 180 P CA 0.087 63.261 63.100 0.123 0.000 0.768 180 P CB 0.247 31.997 31.700 0.083 0.000 0.838 181 I N 2.283 122.931 120.570 0.129 0.000 2.428 181 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 181 I C 0.680 176.820 176.117 0.039 0.000 1.019 181 I CA -0.299 61.008 61.300 0.012 0.000 1.351 181 I CB 0.367 38.299 38.000 -0.113 0.000 1.412 181 I HN 0.358 nan 8.210 nan 0.000 0.513 182 A N 4.485 127.298 122.820 -0.010 0.000 2.498 182 A HA 0.740 5.059 4.320 -0.000 0.000 0.298 182 A C 0.474 178.042 177.584 -0.027 0.000 1.075 182 A CA -0.153 51.884 52.037 0.001 0.000 0.714 182 A CB 1.481 20.483 19.000 0.003 0.000 1.299 182 A HN 0.757 nan 8.150 nan 0.000 0.407 183 A N 0.504 123.317 122.820 -0.012 0.000 2.119 183 A HA 0.250 4.570 4.320 -0.000 0.000 0.217 183 A C 1.146 178.712 177.584 -0.031 0.000 1.153 183 A CA 1.456 53.479 52.037 -0.023 0.000 0.692 183 A CB -0.820 18.179 19.000 -0.003 0.000 0.799 183 A HN 0.861 nan 8.150 nan 0.000 0.458 184 T N 0.831 115.370 114.554 -0.025 0.000 2.933 184 T HA 0.306 4.656 4.350 -0.000 0.000 0.306 184 T C 1.098 175.774 174.700 -0.040 0.000 1.045 184 T CA 0.884 62.968 62.100 -0.026 0.000 1.143 184 T CB 0.345 69.201 68.868 -0.020 0.000 1.003 184 T HN 1.580 nan 8.240 nan 0.000 0.540 185 A N 2.568 125.366 122.820 -0.036 0.000 2.783 185 A HA -0.009 4.311 4.320 -0.000 0.000 0.292 185 A C 1.706 179.254 177.584 -0.059 0.000 1.495 185 A CA 1.270 53.282 52.037 -0.042 0.000 0.787 185 A CB -2.175 16.801 19.000 -0.041 0.000 1.017 185 A HN 2.559 nan 8.150 nan 0.000 0.516 186 G N -2.524 106.237 108.800 -0.064 0.000 2.225 186 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.267 186 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.267 186 G C 1.717 176.526 174.900 -0.152 0.000 1.024 186 G CA 1.177 46.222 45.100 -0.091 0.000 0.784 186 G HN 2.308 nan 8.290 nan 0.000 0.507 187 G N 0.118 108.835 108.800 -0.138 0.000 2.708 187 G HA2 0.088 4.048 3.960 -0.000 0.000 0.210 187 G HA3 0.088 4.048 3.960 -0.000 0.000 0.210 187 G C 1.027 175.771 174.900 -0.259 0.000 1.141 187 G CA 0.974 45.961 45.100 -0.188 0.000 0.788 187 G HN 1.057 nan 8.290 nan 0.000 0.531 188 N N -0.961 117.616 118.700 -0.204 0.000 2.234 188 N HA 0.276 5.016 4.740 -0.000 0.000 0.227 188 N C -0.015 175.443 175.510 -0.086 0.000 1.151 188 N CA -0.400 52.590 53.050 -0.101 0.000 0.865 188 N CB 0.241 38.698 38.487 -0.050 0.000 1.066 188 N HN 0.082 nan 8.380 nan 0.000 0.515 189 L N 1.151 122.153 121.223 -0.368 0.000 2.295 189 L HA 0.549 4.889 4.340 -0.000 0.000 0.285 189 L C -1.052 175.463 176.870 -0.590 0.000 1.035 189 L CA -0.772 53.910 54.840 -0.263 0.000 0.806 189 L CB 0.681 42.631 42.059 -0.182 0.000 1.214 189 L HN 0.047 nan 8.230 nan 0.000 0.426 190 F N 0.160 120.097 119.950 -0.021 0.000 2.664 190 F HA 0.426 4.953 4.527 -0.000 0.000 0.317 190 F C -0.450 175.292 175.800 -0.096 0.000 1.108 190 F CA -0.963 57.015 58.000 -0.036 0.000 0.957 190 F CB 1.844 40.816 39.000 -0.046 0.000 1.365 190 F HN 0.297 nan 8.300 nan 0.000 0.475 191 D N 2.176 122.639 120.400 0.105 0.000 2.471 191 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 191 D C -0.996 175.181 176.300 -0.205 0.000 1.116 191 D CA -0.171 53.748 54.000 -0.135 0.000 0.853 191 D CB 2.089 42.781 40.800 -0.180 0.000 1.123 191 D HN 0.455 nan 8.370 nan 0.000 0.540 192 M N 3.442 122.876 119.600 -0.277 0.000 2.108 192 M HA 0.238 4.718 4.480 -0.000 0.000 0.354 192 M C -1.456 174.661 176.300 -0.306 0.000 1.229 192 M CA -0.387 54.787 55.300 -0.210 0.000 1.081 192 M CB 0.445 32.937 32.600 -0.180 0.000 1.606 192 M HN 0.213 nan 8.290 nan 0.000 0.467 193 Y N 4.532 124.818 120.300 -0.024 0.000 2.335 193 Y HA 0.474 5.024 4.550 -0.000 0.000 0.339 193 Y C -0.060 175.830 175.900 -0.017 0.000 0.987 193 Y CA -0.727 57.357 58.100 -0.026 0.000 1.140 193 Y CB 1.270 39.718 38.460 -0.020 0.000 1.173 193 Y HN 0.501 nan 8.280 nan 0.000 0.486 194 V N 0.600 120.556 119.914 0.069 0.000 2.417 194 V HA 0.458 4.578 4.120 -0.000 0.000 0.291 194 V C -0.732 175.345 176.094 -0.029 0.000 1.024 194 V CA -0.885 61.411 62.300 -0.007 0.000 0.861 194 V CB 1.170 32.975 31.823 -0.031 0.000 0.985 194 V HN 0.806 nan 8.190 nan 0.000 0.436 195 H N 3.930 122.903 119.070 -0.161 0.000 2.742 195 H HA 0.684 5.240 4.556 -0.000 0.000 0.302 195 H C -0.677 174.541 175.328 -0.182 0.000 1.069 195 H CA 0.003 55.971 56.048 -0.134 0.000 1.446 195 H CB 1.309 31.002 29.762 -0.115 0.000 1.462 195 H HN 0.734 nan 8.280 nan 0.000 0.499 196 V N 5.675 125.229 119.914 -0.600 0.000 2.495 196 V HA 0.460 4.580 4.120 -0.000 0.000 0.298 196 V C -0.146 175.603 176.094 -0.576 0.000 1.031 196 V CA -0.607 61.397 62.300 -0.493 0.000 0.871 196 V CB 1.906 33.530 31.823 -0.332 0.000 0.988 196 V HN 0.943 nan 8.190 nan 0.000 0.432 197 T N 2.714 117.002 114.554 -0.442 0.000 2.923 197 T HA 0.413 4.763 4.350 -0.000 0.000 0.311 197 T C -0.285 174.252 174.700 -0.271 0.000 1.183 197 T CA -0.280 61.644 62.100 -0.293 0.000 1.020 197 T CB 1.529 70.312 68.868 -0.142 0.000 1.165 197 T HN 0.478 nan 8.240 nan 0.000 0.482 198 Y N 0.917 121.178 120.300 -0.066 0.000 2.466 198 Y HA 0.052 4.602 4.550 -0.000 0.000 0.272 198 Y C 2.554 178.441 175.900 -0.021 0.000 1.169 198 Y CA 0.134 58.208 58.100 -0.044 0.000 1.285 198 Y CB 0.238 38.672 38.460 -0.044 0.000 1.078 198 Y HN 0.752 nan 8.280 nan 0.000 0.523 199 S N -0.011 115.749 115.700 0.101 0.000 2.500 199 S HA 0.222 4.692 4.470 -0.000 0.000 0.210 199 S C 1.239 175.876 174.600 0.063 0.000 1.101 199 S CA 0.473 58.720 58.200 0.078 0.000 1.272 199 S CB -1.057 62.182 63.200 0.066 0.000 1.071 199 S HN 0.579 nan 8.310 nan 0.000 0.397 200 G N -0.641 108.188 108.800 0.048 0.000 2.784 200 G HA2 0.279 4.239 3.960 -0.000 0.000 0.686 200 G HA3 0.279 4.239 3.960 -0.000 0.000 0.686 200 G C -0.524 174.401 174.900 0.042 0.000 1.156 200 G CA -0.426 44.699 45.100 0.041 0.000 0.757 200 G HN 0.871 nan 8.290 nan 0.000 0.642 201 T N 0.000 114.578 114.554 0.041 0.000 3.816 201 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 201 T CA 0.000 62.123 62.100 0.038 0.000 1.349 201 T CB 0.000 68.892 68.868 0.040 0.000 0.612 201 T HN 0.000 nan 8.240 nan 0.000 0.658