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_H 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 2.357 122.243 119.914 -0.047 0.000 2.407 33 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 33 V C 2.682 178.734 176.094 -0.070 0.000 1.055 33 V CA 2.437 64.699 62.300 -0.063 0.000 1.049 33 V CB -0.751 31.044 31.823 -0.047 0.000 0.662 33 V HN 1.004 nan 8.190 nan 0.000 0.455 34 T N -0.129 114.396 114.554 -0.050 0.000 2.684 34 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 34 T C 1.878 176.547 174.700 -0.052 0.000 1.036 34 T CA 1.640 63.713 62.100 -0.044 0.000 1.148 34 T CB -0.234 68.615 68.868 -0.031 0.000 0.863 34 T HN 0.490 nan 8.240 nan 0.000 0.436 35 K N 0.291 120.660 120.400 -0.052 0.000 2.296 35 K HA 0.032 4.352 4.320 -0.000 0.000 0.200 35 K C 2.453 179.006 176.600 -0.078 0.000 1.048 35 K CA 0.908 57.164 56.287 -0.051 0.000 0.966 35 K CB -0.101 32.377 32.500 -0.037 0.000 0.754 35 K HN 0.245 nan 8.250 nan 0.000 0.466 36 T N 1.768 116.250 114.554 -0.120 0.000 2.812 36 T HA 0.001 4.351 4.350 -0.000 0.000 0.264 36 T C 1.869 176.372 174.700 -0.328 0.000 1.042 36 T CA 0.785 62.752 62.100 -0.221 0.000 1.140 36 T CB -0.036 68.682 68.868 -0.251 0.000 0.870 36 T HN 0.120 nan 8.240 nan 0.000 0.445 37 I N 1.019 121.458 120.570 -0.219 0.000 2.315 37 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 37 I C 2.534 178.620 176.117 -0.052 0.000 1.117 37 I CA 1.307 62.522 61.300 -0.143 0.000 1.404 37 I CB -0.362 37.594 38.000 -0.073 0.000 1.071 37 I HN 0.337 nan 8.210 nan 0.000 0.419 38 E N 0.281 120.451 120.200 -0.049 0.000 2.106 38 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 38 E C 2.121 178.723 176.600 0.003 0.000 0.984 38 E CA 1.689 58.078 56.400 -0.019 0.000 0.806 38 E CB -0.112 29.575 29.700 -0.023 0.000 0.750 38 E HN 0.447 nan 8.360 nan 0.000 0.458 39 T N 0.242 114.793 114.554 -0.005 0.000 2.777 39 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 39 T C 1.536 176.318 174.700 0.138 0.000 1.040 39 T CA 1.237 63.364 62.100 0.044 0.000 1.141 39 T CB -0.256 68.631 68.868 0.033 0.000 0.868 39 T HN 0.187 nan 8.240 nan 0.000 0.444 40 H N 1.149 120.211 119.070 -0.013 0.000 2.352 40 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 40 H C 2.619 177.935 175.328 -0.020 0.000 1.097 40 H CA 1.457 57.496 56.048 -0.014 0.000 1.311 40 H CB -0.990 28.765 29.762 -0.013 0.000 1.377 40 H HN 0.264 nan 8.280 nan 0.000 0.504 41 T N 0.846 115.466 114.554 0.110 0.000 2.684 41 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 41 T C 1.524 176.228 174.700 0.006 0.000 1.036 41 T CA 1.659 63.779 62.100 0.034 0.000 1.148 41 T CB -0.231 68.643 68.868 0.010 0.000 0.863 41 T HN 0.411 nan 8.240 nan 0.000 0.436 42 D N 1.040 121.449 120.400 0.015 0.000 2.117 42 D HA -0.052 4.588 4.640 -0.000 0.000 0.198 42 D C 2.148 178.449 176.300 0.001 0.000 0.982 42 D CA 0.831 54.831 54.000 -0.001 0.000 0.828 42 D CB -0.408 40.397 40.800 0.008 0.000 0.967 42 D HN 0.272 nan 8.370 nan 0.000 0.464 43 N N 0.818 119.529 118.700 0.019 0.000 2.188 43 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 43 N C 2.126 177.626 175.510 -0.017 0.000 1.018 43 N CA 0.331 53.385 53.050 0.006 0.000 0.858 43 N CB -0.205 38.286 38.487 0.008 0.000 0.989 43 N HN 0.290 nan 8.380 nan 0.000 0.426 44 I N 1.217 121.771 120.570 -0.026 0.000 2.226 44 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 44 I C 2.451 178.544 176.117 -0.039 0.000 1.100 44 I CA 1.028 62.305 61.300 -0.038 0.000 1.374 44 I CB -0.163 37.814 38.000 -0.038 0.000 1.057 44 I HN 0.214 nan 8.210 nan 0.000 0.413 45 E N 0.789 120.956 120.200 -0.056 0.000 2.051 45 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 45 E C 2.130 178.703 176.600 -0.045 0.000 0.991 45 E CA 2.138 58.475 56.400 -0.106 0.000 0.799 45 E CB 0.016 29.630 29.700 -0.143 0.000 0.748 45 E HN 0.554 nan 8.360 nan 0.000 0.449 46 T N -0.889 113.663 114.554 -0.004 0.000 2.881 46 T HA -0.082 4.268 4.350 -0.000 0.000 0.270 46 T C 1.443 176.175 174.700 0.054 0.000 1.068 46 T CA 1.100 63.227 62.100 0.043 0.000 1.131 46 T CB -0.245 68.643 68.868 0.033 0.000 0.871 46 T HN 0.023 nan 8.240 nan 0.000 0.479 47 N N 0.749 119.466 118.700 0.028 0.000 2.461 47 N HA 0.230 4.970 4.740 -0.000 0.000 0.188 47 N C 0.061 175.597 175.510 0.044 0.000 1.134 47 N CA 0.120 53.188 53.050 0.030 0.000 0.878 47 N CB -0.380 38.109 38.487 0.004 0.000 0.972 47 N HN 0.572 nan 8.380 nan 0.000 0.456 48 M N 1.144 120.785 119.600 0.068 0.000 2.292 48 M HA 0.066 4.546 4.480 -0.000 0.000 0.342 48 M C -0.541 175.815 176.300 0.094 0.000 1.538 48 M CA 0.575 55.934 55.300 0.098 0.000 1.163 48 M CB 0.350 33.045 32.600 0.157 0.000 1.823 48 M HN -0.178 nan 8.290 nan 0.000 0.462 49 D N 2.573 122.998 120.400 0.042 0.000 2.433 49 D HA 0.586 5.226 4.640 -0.000 0.000 0.236 49 D C -0.947 175.330 176.300 -0.037 0.000 1.026 49 D CA -0.288 53.705 54.000 -0.012 0.000 0.884 49 D CB 2.210 43.053 40.800 0.073 0.000 1.384 49 D HN 0.432 nan 8.370 nan 0.000 0.477 50 E N 0.806 120.923 120.200 -0.137 0.000 2.481 50 E HA 0.207 4.556 4.350 -0.000 0.000 0.301 50 E C -1.795 174.764 176.600 -0.067 0.000 0.948 50 E CA -0.588 55.772 56.400 -0.067 0.000 0.804 50 E CB 0.802 30.473 29.700 -0.049 0.000 1.265 50 E HN 0.080 nan 8.360 nan 0.000 0.406 51 N N 4.423 123.152 118.700 0.049 0.000 2.589 51 N HA 0.244 4.984 4.740 -0.000 0.000 0.232 51 N C -0.962 174.611 175.510 0.105 0.000 1.015 51 N CA -0.513 52.607 53.050 0.116 0.000 0.931 51 N CB 0.638 39.218 38.487 0.156 0.000 1.150 51 N HN 0.384 nan 8.380 nan 0.000 0.512 52 L N 1.856 123.101 121.223 0.036 0.000 2.410 52 L HA 0.180 4.520 4.340 -0.000 0.000 0.273 52 L C 0.989 177.796 176.870 -0.105 0.000 1.144 52 L CA 0.278 55.107 54.840 -0.018 0.000 0.863 52 L CB 0.181 42.231 42.059 -0.015 0.000 1.140 52 L HN 0.255 nan 8.230 nan 0.000 0.463 53 R N 5.392 125.749 120.500 -0.239 0.000 2.207 53 R HA 0.516 4.856 4.340 -0.000 0.000 0.334 53 R C -1.131 174.911 176.300 -0.431 0.000 1.013 53 R CA -0.384 55.411 56.100 -0.509 0.000 0.858 53 R CB 0.369 30.375 30.300 -0.490 0.000 1.094 53 R HN 0.615 nan 8.270 nan 0.000 0.457 54 I N 7.645 127.981 120.570 -0.390 0.000 2.382 54 I HA 0.322 4.492 4.170 -0.000 0.000 0.285 54 I C -2.028 173.957 176.117 -0.219 0.000 1.007 54 I CA -2.519 58.630 61.300 -0.252 0.000 1.142 54 I CB 2.046 39.929 38.000 -0.196 0.000 1.289 54 I HN 0.439 nan 8.210 nan 0.000 0.453 55 P HA 0.164 nan 4.420 nan 0.000 0.271 55 P C -0.670 176.606 177.300 -0.039 0.000 1.220 55 P CA 0.056 63.092 63.100 -0.105 0.000 0.768 55 P CB 1.745 33.393 31.700 -0.086 0.000 0.848 56 V N 3.226 123.147 119.914 0.011 0.000 3.102 56 V HA 0.505 4.625 4.120 -0.000 0.000 0.312 56 V C 0.068 176.279 176.094 0.194 0.000 1.135 56 V CA -0.472 61.883 62.300 0.092 0.000 1.022 56 V CB 2.578 34.429 31.823 0.046 0.000 1.056 56 V HN 0.479 nan 8.190 nan 0.000 0.436 57 T N 2.343 117.043 114.554 0.242 0.000 2.809 57 T HA 0.581 4.931 4.350 -0.000 0.000 0.284 57 T C -0.098 174.774 174.700 0.287 0.000 0.992 57 T CA -0.190 62.051 62.100 0.235 0.000 0.957 57 T CB 1.397 70.345 68.868 0.133 0.000 0.942 57 T HN 0.968 nan 8.240 nan 0.000 0.439 58 A N 3.248 126.211 122.820 0.237 0.000 2.457 58 A HA 0.291 4.611 4.320 -0.000 0.000 0.298 58 A C 0.472 177.986 177.584 -0.118 0.000 1.288 58 A CA -0.322 51.581 52.037 -0.223 0.000 0.956 58 A CB -0.242 18.252 19.000 -0.843 0.000 1.135 58 A HN 0.847 nan 8.150 nan 0.000 0.535 59 E N 3.397 123.664 120.200 0.111 0.000 2.104 59 E HA 0.276 4.626 4.350 -0.000 0.000 0.278 59 E C -0.448 176.318 176.600 0.277 0.000 1.127 59 E CA -0.430 56.074 56.400 0.174 0.000 0.897 59 E CB 0.442 30.256 29.700 0.189 0.000 1.043 59 E HN 0.467 nan 8.360 nan 0.000 0.410 60 V N 4.787 124.820 119.914 0.198 0.000 2.625 60 V HA -0.005 4.115 4.120 -0.000 0.000 0.305 60 V C 1.487 177.684 176.094 0.171 0.000 1.055 60 V CA 1.770 64.203 62.300 0.222 0.000 1.209 60 V CB 0.414 32.311 31.823 0.124 0.000 0.877 60 V HN 1.094 nan 8.190 nan 0.000 0.489 61 G N 4.021 112.907 108.800 0.144 0.000 2.159 61 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.256 61 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.256 61 G C 0.820 175.744 174.900 0.040 0.000 0.977 61 G CA 0.920 46.053 45.100 0.057 0.000 0.652 61 G HN 1.314 nan 8.290 nan 0.000 0.531 62 S N -1.407 114.341 115.700 0.080 0.000 2.554 62 S HA 0.456 4.926 4.470 -0.000 0.000 0.227 62 S C 2.155 176.708 174.600 -0.078 0.000 1.050 62 S CA 1.415 59.671 58.200 0.095 0.000 0.927 62 S CB 0.554 63.895 63.200 0.234 0.000 0.859 62 S HN 2.264 nan 8.310 nan 0.000 0.494 63 G N 0.438 109.071 108.800 -0.279 0.000 2.153 63 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 63 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 63 G C -0.203 174.364 174.900 -0.556 0.000 0.994 63 G CA 0.644 45.339 45.100 -0.674 0.000 0.698 63 G HN 0.625 nan 8.290 nan 0.000 0.521 64 Y N -1.528 118.834 120.300 0.104 0.000 2.512 64 Y HA 0.642 5.192 4.550 -0.000 0.000 0.348 64 Y C 0.200 176.210 175.900 0.184 0.000 0.990 64 Y CA -1.309 56.872 58.100 0.136 0.000 1.033 64 Y CB 1.496 40.031 38.460 0.125 0.000 1.259 64 Y HN 0.028 nan 8.280 nan 0.000 0.461 65 F N 3.748 123.968 119.950 0.450 0.000 2.404 65 F HA 0.346 4.873 4.527 -0.000 0.000 0.358 65 F C 0.097 176.033 175.800 0.227 0.000 1.120 65 F CA -0.770 57.392 58.000 0.269 0.000 1.144 65 F CB 0.671 39.802 39.000 0.218 0.000 1.133 65 F HN 0.159 nan 8.300 nan 0.000 0.495 66 K N 6.072 126.685 120.400 0.354 0.000 2.143 66 K HA 0.508 4.828 4.320 -0.000 0.000 0.272 66 K C -0.360 176.341 176.600 0.169 0.000 1.001 66 K CA -0.451 55.967 56.287 0.219 0.000 0.915 66 K CB 1.856 34.453 32.500 0.162 0.000 1.047 66 K HN 0.705 nan 8.250 nan 0.000 0.458 67 M N -0.674 118.996 119.600 0.117 0.000 2.535 67 M HA 0.439 4.919 4.480 -0.000 0.000 0.314 67 M C -0.462 175.867 176.300 0.048 0.000 1.153 67 M CA -0.709 54.632 55.300 0.069 0.000 0.924 67 M CB 1.797 34.420 32.600 0.038 0.000 1.710 67 M HN 0.122 nan 8.290 nan 0.000 0.451 68 T N 0.890 115.465 114.554 0.035 0.000 2.875 68 T HA 0.251 4.601 4.350 -0.000 0.000 0.284 68 T C -0.651 174.066 174.700 0.028 0.000 0.995 68 T CA -0.316 61.802 62.100 0.030 0.000 1.060 68 T CB 0.793 69.676 68.868 0.026 0.000 0.967 68 T HN 0.603 nan 8.240 nan 0.000 0.476 69 D N 1.935 122.350 120.400 0.025 0.000 2.531 69 D HA 0.327 4.967 4.640 -0.000 0.000 0.239 69 D C -0.331 175.989 176.300 0.032 0.000 1.144 69 D CA 0.708 54.721 54.000 0.022 0.000 0.869 69 D CB 0.354 41.163 40.800 0.015 0.000 1.160 69 D HN 0.152 nan 8.370 nan 0.000 0.484 70 V N 0.979 120.919 119.914 0.042 0.000 3.216 70 V HA 0.573 4.693 4.120 -0.000 0.000 0.302 70 V C -0.580 175.547 176.094 0.054 0.000 1.286 70 V CA -0.945 61.402 62.300 0.078 0.000 1.048 70 V CB 2.368 34.280 31.823 0.148 0.000 1.081 70 V HN 0.438 nan 8.190 nan 0.000 0.442 71 S N 1.858 117.601 115.700 0.072 0.000 2.614 71 S HA 0.910 5.380 4.470 -0.000 0.000 0.288 71 S C -1.261 173.387 174.600 0.080 0.000 1.137 71 S CA -0.450 57.733 58.200 -0.027 0.000 0.992 71 S CB 0.872 64.056 63.200 -0.026 0.000 1.026 71 S HN 1.001 nan 8.310 nan 0.000 0.486 72 F N 1.020 120.955 119.950 -0.026 0.000 2.685 72 F HA 0.721 5.248 4.527 -0.000 0.000 0.315 72 F C -1.182 174.604 175.800 -0.025 0.000 1.126 72 F CA -1.070 56.914 58.000 -0.026 0.000 0.950 72 F CB 0.902 39.881 39.000 -0.035 0.000 1.360 72 F HN 0.268 nan 8.300 nan 0.000 0.469 73 D N 1.294 121.847 120.400 0.254 0.000 2.375 73 D HA 0.331 4.971 4.640 -0.000 0.000 0.247 73 D C -1.256 175.164 176.300 0.200 0.000 1.061 73 D CA -0.194 53.887 54.000 0.135 0.000 0.834 73 D CB 2.197 43.037 40.800 0.066 0.000 1.247 73 D HN 0.628 nan 8.370 nan 0.000 0.489 74 S N 1.513 117.305 115.700 0.153 0.000 2.451 74 S HA 0.150 4.620 4.470 -0.000 0.000 0.301 74 S C 0.676 175.315 174.600 0.065 0.000 1.116 74 S CA -0.613 57.666 58.200 0.131 0.000 1.093 74 S CB 1.283 64.572 63.200 0.148 0.000 1.017 74 S HN 0.155 nan 8.310 nan 0.000 0.482 75 D N 3.424 123.853 120.400 0.048 0.000 2.221 75 D HA -0.050 4.590 4.640 -0.000 0.000 0.204 75 D C 1.478 177.792 176.300 0.023 0.000 0.982 75 D CA 1.468 55.484 54.000 0.027 0.000 0.857 75 D CB -0.015 40.797 40.800 0.020 0.000 0.934 75 D HN 0.623 nan 8.370 nan 0.000 0.475 76 T N -0.072 114.503 114.554 0.035 0.000 2.925 76 T HA 0.138 4.488 4.350 -0.000 0.000 0.245 76 T C 2.047 176.781 174.700 0.058 0.000 1.025 76 T CA 0.180 62.304 62.100 0.039 0.000 1.149 76 T CB 0.153 69.049 68.868 0.046 0.000 0.866 76 T HN 0.053 nan 8.240 nan 0.000 0.437 77 L N 0.373 121.636 121.223 0.066 0.000 2.446 77 L HA 0.318 4.658 4.340 -0.000 0.000 0.219 77 L C 1.640 178.523 176.870 0.022 0.000 1.116 77 L CA 0.208 55.092 54.840 0.073 0.000 0.844 77 L CB -0.689 41.396 42.059 0.043 0.000 0.970 77 L HN 0.525 nan 8.230 nan 0.000 0.457 78 G N 0.658 109.463 108.800 0.009 0.000 2.484 78 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.225 78 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.225 78 G C -0.451 174.417 174.900 -0.054 0.000 1.250 78 G CA -0.620 44.468 45.100 -0.021 0.000 0.926 78 G HN 0.138 nan 8.290 nan 0.000 0.581 79 K N 0.495 120.844 120.400 -0.086 0.000 2.312 79 K HA 0.540 4.860 4.320 -0.000 0.000 0.287 79 K C -0.097 176.362 176.600 -0.235 0.000 1.062 79 K CA 0.133 56.337 56.287 -0.139 0.000 0.934 79 K CB 0.725 33.167 32.500 -0.096 0.000 1.027 79 K HN 0.391 nan 8.250 nan 0.000 0.478 80 I N 3.223 123.522 120.570 -0.452 0.000 2.465 80 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 80 I C -0.406 175.323 176.117 -0.647 0.000 1.014 80 I CA -0.835 60.099 61.300 -0.611 0.000 1.093 80 I CB 1.757 39.187 38.000 -0.949 0.000 1.267 80 I HN 0.356 nan 8.210 nan 0.000 0.431 81 K N 6.671 126.861 120.400 -0.349 0.000 2.471 81 K HA 0.604 4.924 4.320 -0.000 0.000 0.252 81 K C -1.132 175.392 176.600 -0.127 0.000 0.938 81 K CA -0.590 55.568 56.287 -0.215 0.000 0.796 81 K CB 2.780 35.219 32.500 -0.100 0.000 1.161 81 K HN 0.479 nan 8.250 nan 0.000 0.425 82 I N 3.675 124.195 120.570 -0.083 0.000 2.315 82 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 82 I C -0.091 176.019 176.117 -0.012 0.000 1.006 82 I CA -0.586 60.691 61.300 -0.038 0.000 1.265 82 I CB 0.654 38.648 38.000 -0.010 0.000 1.387 82 I HN 0.291 nan 8.210 nan 0.000 0.475 83 R N 5.501 126.002 120.500 0.001 0.000 2.468 83 R HA 0.343 4.683 4.340 -0.000 0.000 0.302 83 R C -0.807 175.503 176.300 0.015 0.000 1.041 83 R CA -0.781 55.324 56.100 0.008 0.000 0.899 83 R CB 1.258 31.563 30.300 0.008 0.000 1.167 83 R HN 0.567 nan 8.270 nan 0.000 0.483 84 N N 0.263 118.971 118.700 0.014 0.000 2.508 84 N HA 0.061 4.801 4.740 -0.000 0.000 0.264 84 N C 1.078 176.593 175.510 0.007 0.000 1.216 84 N CA 1.252 54.311 53.050 0.015 0.000 0.943 84 N CB 0.951 39.446 38.487 0.014 0.000 1.113 84 N HN 0.787 nan 8.380 nan 0.000 0.447 85 G N 0.621 109.424 108.800 0.004 0.000 2.203 85 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 85 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 85 G C -0.146 174.751 174.900 -0.005 0.000 1.012 85 G CA 0.414 45.513 45.100 -0.003 0.000 0.749 85 G HN 0.431 nan 8.290 nan 0.000 0.512 86 K N 0.934 121.333 120.400 -0.002 0.000 2.172 86 K HA 0.563 4.882 4.320 -0.000 0.000 0.276 86 K C 0.866 177.457 176.600 -0.016 0.000 1.013 86 K CA 0.114 56.393 56.287 -0.014 0.000 0.913 86 K CB 1.610 34.101 32.500 -0.016 0.000 1.055 86 K HN 0.516 nan 8.250 nan 0.000 0.461 87 S N 0.648 116.329 115.700 -0.032 0.000 2.645 87 S HA 0.135 4.604 4.470 -0.000 0.000 0.266 87 S C 0.569 175.135 174.600 -0.056 0.000 1.258 87 S CA -0.442 57.738 58.200 -0.033 0.000 0.990 87 S CB 0.816 63.993 63.200 -0.038 0.000 0.967 87 S HN 0.420 nan 8.310 nan 0.000 0.556 88 D N 1.483 121.851 120.400 -0.053 0.000 2.116 88 D HA -0.092 4.548 4.640 -0.000 0.000 0.193 88 D C 2.205 178.399 176.300 -0.176 0.000 0.998 88 D CA 2.065 56.014 54.000 -0.086 0.000 0.836 88 D CB -0.871 39.898 40.800 -0.052 0.000 0.951 88 D HN 0.708 nan 8.370 nan 0.000 0.449 89 A N 0.554 123.288 122.820 -0.144 0.000 1.908 89 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 89 A C 2.100 179.558 177.584 -0.209 0.000 1.181 89 A CA 1.668 53.600 52.037 -0.175 0.000 0.627 89 A CB -0.669 18.265 19.000 -0.111 0.000 0.818 89 A HN 0.263 nan 8.150 nan 0.000 0.445 90 Q N -0.998 118.710 119.800 -0.152 0.000 2.124 90 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 90 Q C 2.175 178.066 176.000 -0.183 0.000 0.977 90 Q CA 1.553 57.274 55.803 -0.137 0.000 0.850 90 Q CB -0.309 28.380 28.738 -0.082 0.000 0.901 90 Q HN 0.726 nan 8.270 nan 0.000 0.429 91 M N 0.548 120.020 119.600 -0.213 0.000 2.108 91 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 91 M C 2.168 178.149 176.300 -0.531 0.000 1.066 91 M CA 1.404 56.570 55.300 -0.223 0.000 1.107 91 M CB -0.248 32.265 32.600 -0.144 0.000 1.356 91 M HN -0.004 nan 8.290 nan 0.000 0.406 92 K N 0.593 120.424 120.400 -0.947 0.000 2.515 92 K HA -0.128 4.192 4.320 -0.000 0.000 0.196 92 K C 1.133 177.318 176.600 -0.693 0.000 1.038 92 K CA 0.936 56.285 56.287 -1.562 0.000 0.967 92 K CB 0.131 31.928 32.500 -1.171 0.000 0.780 92 K HN 0.418 nan 8.250 nan 0.000 0.483 93 E N 0.128 120.115 120.200 -0.355 0.000 2.442 93 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 93 E C -0.182 176.388 176.600 -0.050 0.000 1.030 93 E CA -0.023 56.287 56.400 -0.150 0.000 0.869 93 E CB 0.351 29.984 29.700 -0.112 0.000 0.857 93 E HN 0.175 nan 8.360 nan 0.000 0.505 94 E N 1.560 121.745 120.200 -0.026 0.000 2.383 94 E HA -0.015 4.335 4.350 -0.000 0.000 0.264 94 E C -0.864 175.835 176.600 0.165 0.000 1.050 94 E CA 0.018 56.462 56.400 0.074 0.000 0.896 94 E CB 0.776 30.536 29.700 0.100 0.000 0.982 94 E HN -0.131 nan 8.360 nan 0.000 0.424 95 D N 2.084 122.544 120.400 0.099 0.000 2.468 95 D HA 0.506 5.146 4.640 -0.000 0.000 0.218 95 D C -1.408 174.928 176.300 0.059 0.000 1.155 95 D CA -0.055 53.998 54.000 0.089 0.000 0.924 95 D CB -0.107 40.720 40.800 0.045 0.000 1.029 95 D HN 0.452 nan 8.370 nan 0.000 0.515 96 A N 2.912 125.777 122.820 0.074 0.000 2.586 96 A HA 0.313 4.633 4.320 -0.000 0.000 0.290 96 A C 0.221 177.749 177.584 -0.093 0.000 1.086 96 A CA -0.704 51.324 52.037 -0.015 0.000 0.665 96 A CB 1.010 19.996 19.000 -0.025 0.000 1.279 96 A HN 0.322 nan 8.150 nan 0.000 0.423 97 D N -0.379 119.938 120.400 -0.138 0.000 2.183 97 D HA 0.138 4.777 4.640 -0.000 0.000 0.205 97 D C 0.059 176.200 176.300 -0.265 0.000 0.962 97 D CA 1.437 55.320 54.000 -0.194 0.000 0.849 97 D CB 0.234 40.960 40.800 -0.123 0.000 0.978 97 D HN 0.387 nan 8.370 nan 0.000 0.488 98 L N 0.844 121.951 121.223 -0.194 0.000 2.431 98 L HA 0.396 4.736 4.340 -0.000 0.000 0.266 98 L C -0.952 175.877 176.870 -0.069 0.000 0.978 98 L CA -0.750 53.993 54.840 -0.162 0.000 0.822 98 L CB 3.222 45.195 42.059 -0.143 0.000 1.310 98 L HN -0.356 nan 8.230 nan 0.000 0.409 99 V N 3.992 123.944 119.914 0.064 0.000 2.495 99 V HA 0.513 4.633 4.120 -0.000 0.000 0.298 99 V C -0.177 175.975 176.094 0.096 0.000 1.031 99 V CA -0.347 62.023 62.300 0.116 0.000 0.871 99 V CB 2.309 34.303 31.823 0.285 0.000 0.988 99 V HN 0.500 nan 8.190 nan 0.000 0.432 100 I N 3.626 124.208 120.570 0.020 0.000 2.406 100 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 100 I C -0.245 175.897 176.117 0.041 0.000 0.999 100 I CA -0.099 61.207 61.300 0.011 0.000 1.124 100 I CB 2.102 39.995 38.000 -0.179 0.000 1.289 100 I HN 0.530 nan 8.210 nan 0.000 0.441 101 T N 7.114 121.744 114.554 0.127 0.000 2.890 101 T HA 0.347 4.697 4.350 -0.000 0.000 0.295 101 T C -2.599 172.208 174.700 0.179 0.000 0.993 101 T CA -1.244 60.924 62.100 0.114 0.000 0.979 101 T CB 1.750 70.673 68.868 0.092 0.000 0.967 101 T HN 0.320 nan 8.240 nan 0.000 0.441 102 P HA 0.249 nan 4.420 nan 0.000 0.269 102 P C -0.883 176.481 177.300 0.108 0.000 1.209 102 P CA -0.299 62.915 63.100 0.191 0.000 0.776 102 P CB 0.818 32.600 31.700 0.136 0.000 0.876 103 V N 3.470 123.447 119.914 0.105 0.000 2.444 103 V HA 0.155 4.275 4.120 -0.000 0.000 0.294 103 V C 0.591 176.660 176.094 -0.042 0.000 1.022 103 V CA -0.407 61.914 62.300 0.035 0.000 0.850 103 V CB 1.572 33.437 31.823 0.069 0.000 0.992 103 V HN 0.448 nan 8.190 nan 0.000 0.426 104 E N 4.078 124.176 120.200 -0.171 0.000 2.122 104 E HA 0.235 4.585 4.350 -0.000 0.000 0.288 104 E C 1.007 177.602 176.600 -0.009 0.000 1.260 104 E CA 0.002 56.174 56.400 -0.379 0.000 1.344 104 E CB 1.045 30.445 29.700 -0.501 0.000 1.337 104 E HN 0.860 nan 8.360 nan 0.000 0.484 105 G N 1.249 110.117 108.800 0.114 0.000 3.453 105 G HA2 0.002 3.962 3.960 -0.000 0.000 0.263 105 G HA3 0.002 3.962 3.960 -0.000 0.000 0.263 105 G C 0.835 175.821 174.900 0.142 0.000 1.060 105 G CA -0.721 44.445 45.100 0.111 0.000 0.793 105 G HN 0.319 nan 8.290 nan 0.000 0.532 106 R N -0.367 120.284 120.500 0.253 0.000 3.251 106 R HA -0.248 4.092 4.340 -0.000 0.000 0.249 106 R C 1.381 177.710 176.300 0.049 0.000 0.949 106 R CA 0.738 56.911 56.100 0.122 0.000 0.645 106 R CB -1.658 28.683 30.300 0.069 0.000 1.065 106 R HN 0.387 nan 8.270 nan 0.000 0.452 107 A N -0.251 122.605 122.820 0.060 0.000 2.206 107 A HA 0.203 4.523 4.320 -0.000 0.000 0.211 107 A C 0.274 177.845 177.584 -0.022 0.000 1.158 107 A CA 0.488 52.533 52.037 0.014 0.000 0.761 107 A CB 0.299 19.306 19.000 0.012 0.000 0.801 107 A HN 0.188 nan 8.150 nan 0.000 0.473 108 L N -0.259 120.941 121.223 -0.038 0.000 2.385 108 L HA 0.337 4.677 4.340 -0.000 0.000 0.273 108 L C -0.021 176.787 176.870 -0.103 0.000 0.990 108 L CA -0.625 54.170 54.840 -0.075 0.000 0.821 108 L CB 1.809 43.817 42.059 -0.085 0.000 1.279 108 L HN 0.358 nan 8.230 nan 0.000 0.412 109 E N 3.375 123.519 120.200 -0.093 0.000 2.290 109 E HA 0.498 4.848 4.350 -0.000 0.000 0.277 109 E C -1.544 174.978 176.600 -0.129 0.000 1.035 109 E CA -0.116 56.225 56.400 -0.097 0.000 0.873 109 E CB 0.803 30.458 29.700 -0.074 0.000 1.029 109 E HN 0.433 nan 8.360 nan 0.000 0.419 110 V N 3.326 123.148 119.914 -0.153 0.000 3.048 110 V HA 0.190 4.310 4.120 -0.000 0.000 0.303 110 V C -0.496 175.497 176.094 -0.168 0.000 1.214 110 V CA -0.960 61.226 62.300 -0.189 0.000 0.984 110 V CB 2.515 34.163 31.823 -0.292 0.000 1.054 110 V HN 0.703 nan 8.190 nan 0.000 0.430 111 T N 2.326 116.786 114.554 -0.157 0.000 3.016 111 T HA 0.202 4.552 4.350 -0.000 0.000 0.335 111 T C 1.241 175.845 174.700 -0.159 0.000 1.176 111 T CA -0.064 61.961 62.100 -0.125 0.000 0.987 111 T CB 1.006 69.820 68.868 -0.090 0.000 1.073 111 T HN 0.447 nan 8.240 nan 0.000 0.547 112 V N 3.421 123.232 119.914 -0.172 0.000 2.311 112 V HA -0.261 3.859 4.120 -0.000 0.000 0.256 112 V C 2.586 178.596 176.094 -0.141 0.000 1.077 112 V CA 2.636 64.821 62.300 -0.191 0.000 1.067 112 V CB -0.771 30.973 31.823 -0.131 0.000 0.659 112 V HN 0.942 nan 8.190 nan 0.000 0.451 113 G N -1.957 106.791 108.800 -0.086 0.000 2.559 113 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 113 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 113 G C 1.376 176.251 174.900 -0.042 0.000 1.126 113 G CA 0.479 45.550 45.100 -0.049 0.000 0.778 113 G HN 0.605 nan 8.290 nan 0.000 0.543 114 Q N -0.204 119.556 119.800 -0.068 0.000 2.245 114 Q HA 0.017 4.357 4.340 -0.000 0.000 0.201 114 Q C 0.501 176.489 176.000 -0.020 0.000 0.955 114 Q CA 0.145 55.923 55.803 -0.042 0.000 0.870 114 Q CB 0.100 28.807 28.738 -0.052 0.000 0.945 114 Q HN 0.352 nan 8.270 nan 0.000 0.461 115 N N 0.013 118.661 118.700 -0.086 0.000 2.727 115 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 115 N C 0.158 175.770 175.510 0.170 0.000 1.048 115 N CA 0.664 53.713 53.050 -0.002 0.000 0.714 115 N CB -1.126 37.479 38.487 0.196 0.000 0.959 115 N HN 0.326 nan 8.380 nan 0.000 0.544 116 L N -1.396 119.842 121.223 0.025 0.000 2.500 116 L HA 0.109 4.449 4.340 -0.000 0.000 0.219 116 L C 0.574 177.564 176.870 0.200 0.000 1.057 116 L CA 0.850 55.799 54.840 0.182 0.000 0.854 116 L CB 0.360 42.466 42.059 0.079 0.000 1.078 116 L HN -0.026 nan 8.230 nan 0.000 0.480 117 T N 0.422 114.903 114.554 -0.122 0.000 2.792 117 T HA 0.556 4.906 4.350 -0.000 0.000 0.280 117 T C -1.040 173.370 174.700 -0.484 0.000 0.990 117 T CA -0.173 61.833 62.100 -0.157 0.000 0.960 117 T CB 1.376 70.140 68.868 -0.173 0.000 0.939 117 T HN -0.233 nan 8.240 nan 0.000 0.439 118 F N 1.443 121.244 119.950 -0.247 0.000 2.540 118 F HA 0.464 4.991 4.527 -0.000 0.000 0.317 118 F C 0.459 176.049 175.800 -0.351 0.000 1.104 118 F CA -1.123 56.558 58.000 -0.531 0.000 0.913 118 F CB 1.812 40.078 39.000 -1.224 0.000 1.170 118 F HN 0.460 nan 8.300 nan 0.000 0.450 119 E N 0.981 121.130 120.200 -0.084 0.000 2.197 119 E HA 0.521 4.871 4.350 -0.000 0.000 0.281 119 E C 0.270 177.166 176.600 0.494 0.000 0.995 119 E CA -0.318 56.182 56.400 0.166 0.000 0.808 119 E CB 1.378 31.099 29.700 0.036 0.000 1.093 119 E HN 0.876 nan 8.360 nan 0.000 0.394 120 G N 3.147 112.275 108.800 0.547 0.000 3.651 120 G HA2 0.024 3.984 3.960 -0.000 0.000 0.279 120 G HA3 0.024 3.984 3.960 -0.000 0.000 0.279 120 G C 0.133 175.304 174.900 0.451 0.000 1.024 120 G CA -0.215 45.233 45.100 0.580 0.000 0.813 120 G HN 0.515 nan 8.290 nan 0.000 0.518 121 T N 1.959 116.690 114.554 0.295 0.000 2.891 121 T HA 0.304 4.654 4.350 -0.000 0.000 0.296 121 T C -0.381 174.465 174.700 0.244 0.000 1.025 121 T CA 0.810 62.990 62.100 0.134 0.000 1.149 121 T CB -0.068 68.859 68.868 0.098 0.000 1.007 121 T HN 0.436 nan 8.240 nan 0.000 0.528 122 F N 0.047 120.112 119.950 0.193 0.000 2.645 122 F HA 0.757 5.284 4.527 -0.000 0.000 0.310 122 F C -0.748 175.149 175.800 0.162 0.000 1.102 122 F CA -1.703 56.392 58.000 0.158 0.000 0.952 122 F CB 1.555 40.647 39.000 0.154 0.000 1.326 122 F HN 0.477 nan 8.300 nan 0.000 0.456 123 K N 1.234 121.860 120.400 0.377 0.000 2.281 123 K HA 0.872 5.192 4.320 -0.000 0.000 0.242 123 K C -1.678 175.130 176.600 0.348 0.000 0.971 123 K CA -1.102 55.345 56.287 0.267 0.000 0.834 123 K CB 2.635 35.234 32.500 0.165 0.000 1.181 123 K HN 1.009 nan 8.250 nan 0.000 0.435 124 V N 0.655 120.734 119.914 0.274 0.000 2.760 124 V HA 0.516 4.636 4.120 -0.000 0.000 0.309 124 V C -2.048 174.190 176.094 0.240 0.000 1.077 124 V CA -0.653 61.793 62.300 0.244 0.000 0.910 124 V CB 1.421 33.372 31.823 0.213 0.000 1.008 124 V HN 0.926 nan 8.190 nan 0.000 0.424 125 W N 6.000 127.323 121.300 0.039 0.000 2.331 125 W HA 0.474 5.134 4.660 -0.000 0.000 0.306 125 W C 0.152 176.679 176.519 0.013 0.000 1.162 125 W CA -0.767 56.591 57.345 0.023 0.000 1.232 125 W CB 0.848 30.316 29.460 0.013 0.000 1.235 125 W HN 0.849 nan 8.180 nan 0.000 0.479 126 N N 5.184 123.706 118.700 -0.296 0.000 2.602 126 N HA -0.007 4.733 4.740 -0.000 0.000 0.238 126 N C 0.081 175.147 175.510 -0.741 0.000 1.084 126 N CA -0.039 52.773 53.050 -0.397 0.000 0.952 126 N CB -0.106 38.288 38.487 -0.156 0.000 1.244 126 N HN 0.691 nan 8.380 nan 0.000 0.512 127 N N 2.816 120.878 118.700 -1.064 0.000 2.466 127 N HA 0.043 4.783 4.740 -0.000 0.000 0.251 127 N C -0.864 174.375 175.510 -0.452 0.000 1.164 127 N CA -0.031 52.380 53.050 -1.065 0.000 0.888 127 N CB 0.388 37.951 38.487 -1.541 0.000 1.177 127 N HN 0.377 nan 8.380 nan 0.000 0.498 128 T N -0.884 113.504 114.554 -0.277 0.000 2.932 128 T HA 0.101 4.451 4.350 -0.000 0.000 0.289 128 T C 1.147 175.803 174.700 -0.074 0.000 1.039 128 T CA -0.665 61.363 62.100 -0.120 0.000 1.024 128 T CB 1.725 70.605 68.868 0.019 0.000 1.090 128 T HN 0.211 nan 8.240 nan 0.000 0.496 129 S N 0.766 116.422 115.700 -0.073 0.000 2.720 129 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 129 S C 0.589 175.166 174.600 -0.039 0.000 0.958 129 S CA -0.100 58.065 58.200 -0.058 0.000 0.943 129 S CB -0.161 62.995 63.200 -0.074 0.000 0.779 129 S HN 0.610 nan 8.310 nan 0.000 0.526 130 R N 0.742 121.249 120.500 0.011 0.000 2.643 130 R HA 0.343 4.683 4.340 -0.000 0.000 0.269 130 R C -1.354 175.067 176.300 0.202 0.000 1.037 130 R CA -0.765 55.380 56.100 0.075 0.000 0.894 130 R CB 1.143 31.436 30.300 -0.011 0.000 1.238 130 R HN 0.170 nan 8.270 nan 0.000 0.459 131 K N 3.759 124.241 120.400 0.136 0.000 2.472 131 K HA 0.033 4.353 4.320 -0.000 0.000 0.280 131 K C -0.627 176.022 176.600 0.082 0.000 1.028 131 K CA 0.301 56.642 56.287 0.090 0.000 1.045 131 K CB 0.375 32.912 32.500 0.061 0.000 0.902 131 K HN 0.490 nan 8.250 nan 0.000 0.478 132 I N 3.778 124.307 120.570 -0.069 0.000 2.648 132 I HA 0.255 4.425 4.170 -0.000 0.000 0.304 132 I C -0.888 175.101 176.117 -0.213 0.000 1.009 132 I CA -0.905 60.195 61.300 -0.332 0.000 1.114 132 I CB 1.483 39.185 38.000 -0.497 0.000 1.293 132 I HN 0.715 nan 8.210 nan 0.000 0.449 133 N N 7.636 126.182 118.700 -0.256 0.000 2.296 133 N HA 0.462 5.202 4.740 -0.000 0.000 0.294 133 N C -1.269 174.124 175.510 -0.195 0.000 1.033 133 N CA -0.373 52.589 53.050 -0.148 0.000 0.839 133 N CB 2.481 40.922 38.487 -0.077 0.000 1.395 133 N HN 0.401 nan 8.380 nan 0.000 0.479 134 I N 1.465 121.933 120.570 -0.171 0.000 2.330 134 I HA 0.171 4.341 4.170 -0.000 0.000 0.286 134 I C 0.924 176.929 176.117 -0.188 0.000 1.025 134 I CA -0.296 60.800 61.300 -0.340 0.000 1.197 134 I CB 1.020 38.682 38.000 -0.565 0.000 1.358 134 I HN 0.569 nan 8.210 nan 0.000 0.467 135 T N 0.598 115.085 114.554 -0.112 0.000 3.200 135 T HA 0.514 4.864 4.350 -0.000 0.000 0.284 135 T C 0.291 174.973 174.700 -0.030 0.000 1.009 135 T CA -0.461 61.691 62.100 0.087 0.000 0.907 135 T CB 0.437 69.399 68.868 0.157 0.000 1.120 135 T HN 0.699 nan 8.240 nan 0.000 0.534 136 G N 0.912 109.489 108.800 -0.371 0.000 2.579 136 G HA2 0.560 4.520 3.960 -0.000 0.000 0.292 136 G HA3 0.560 4.520 3.960 -0.000 0.000 0.292 136 G C -2.062 172.490 174.900 -0.579 0.000 1.484 136 G CA -0.735 43.920 45.100 -0.741 0.000 0.813 136 G HN 0.311 nan 8.290 nan 0.000 0.515 137 M N 0.988 120.257 119.600 -0.551 0.000 2.414 137 M HA 0.567 5.047 4.480 -0.000 0.000 0.287 137 M C -2.161 174.202 176.300 0.104 0.000 1.181 137 M CA -0.516 54.750 55.300 -0.057 0.000 0.933 137 M CB 2.106 34.794 32.600 0.146 0.000 1.732 137 M HN 0.796 nan 8.290 nan 0.000 0.486 138 Q N 4.222 124.104 119.800 0.137 0.000 2.331 138 Q HA 0.549 4.889 4.340 -0.000 0.000 0.272 138 Q C -1.880 174.215 176.000 0.157 0.000 1.062 138 Q CA -0.667 55.225 55.803 0.148 0.000 0.806 138 Q CB 2.426 31.239 28.738 0.124 0.000 1.312 138 Q HN 0.781 nan 8.270 nan 0.000 0.431 139 M N 4.073 123.740 119.600 0.111 0.000 2.047 139 M HA 0.333 4.813 4.480 -0.000 0.000 0.342 139 M C -1.269 175.182 176.300 0.250 0.000 1.058 139 M CA -0.516 54.831 55.300 0.080 0.000 0.991 139 M CB 1.305 33.845 32.600 -0.100 0.000 1.474 139 M HN 0.443 nan 8.290 nan 0.000 0.419 140 V N 7.237 127.344 119.914 0.323 0.000 2.370 140 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 140 V C -2.154 174.172 176.094 0.387 0.000 1.029 140 V CA -1.734 60.762 62.300 0.326 0.000 0.870 140 V CB 1.329 33.328 31.823 0.294 0.000 0.984 140 V HN 0.604 nan 8.190 nan 0.000 0.451 141 P HA 0.129 nan 4.420 nan 0.000 0.267 141 P C -0.457 176.798 177.300 -0.074 0.000 1.205 141 P CA -0.235 62.904 63.100 0.065 0.000 0.765 141 P CB 0.475 32.318 31.700 0.237 0.000 0.828 142 K N 4.218 124.489 120.400 -0.216 0.000 2.322 142 K HA 0.231 4.551 4.320 -0.000 0.000 0.283 142 K C -0.135 176.427 176.600 -0.064 0.000 1.042 142 K CA -0.444 55.768 56.287 -0.124 0.000 0.958 142 K CB 0.127 32.541 32.500 -0.143 0.000 0.984 142 K HN 0.412 nan 8.250 nan 0.000 0.473 143 I N 5.072 125.623 120.570 -0.032 0.000 2.517 143 I HA -0.071 4.099 4.170 -0.000 0.000 0.285 143 I C 0.603 176.726 176.117 0.010 0.000 1.106 143 I CA -0.483 60.838 61.300 0.036 0.000 1.402 143 I CB 0.276 38.284 38.000 0.014 0.000 1.399 143 I HN 0.752 nan 8.210 nan 0.000 0.535 144 N N 7.892 126.605 118.700 0.020 0.000 2.379 144 N HA 0.259 4.999 4.740 -0.000 0.000 0.260 144 N C -2.154 173.357 175.510 0.001 0.000 1.254 144 N CA -1.878 51.168 53.050 -0.007 0.000 0.958 144 N CB -0.209 38.267 38.487 -0.020 0.000 1.208 144 N HN 0.161 nan 8.380 nan 0.000 0.532 145 P HA -0.033 nan 4.420 nan 0.000 0.219 145 P C 0.299 177.599 177.300 0.001 0.000 1.146 145 P CA 1.284 64.381 63.100 -0.004 0.000 0.808 145 P CB 0.107 31.802 31.700 -0.009 0.000 0.779 146 S N -0.913 114.787 115.700 0.000 0.000 2.671 146 S HA 0.083 4.553 4.470 -0.000 0.000 0.220 146 S C 0.477 175.085 174.600 0.012 0.000 0.951 146 S CA -0.027 58.174 58.200 0.001 0.000 0.932 146 S CB -0.719 62.477 63.200 -0.006 0.000 0.777 146 S HN 0.200 nan 8.310 nan 0.000 0.508 147 K N -0.251 120.164 120.400 0.026 0.000 3.129 147 K HA -0.192 4.128 4.320 -0.000 0.000 0.273 147 K C -0.074 176.576 176.600 0.084 0.000 1.123 147 K CA 0.560 56.879 56.287 0.053 0.000 0.800 147 K CB -2.081 30.443 32.500 0.041 0.000 1.238 147 K HN 0.447 nan 8.250 nan 0.000 0.492 148 A N 0.706 123.568 122.820 0.070 0.000 2.386 148 A HA 0.910 5.230 4.320 -0.000 0.000 0.308 148 A C -0.522 177.142 177.584 0.133 0.000 1.128 148 A CA -0.730 51.332 52.037 0.042 0.000 0.789 148 A CB 0.912 19.886 19.000 -0.042 0.000 1.325 148 A HN 0.431 nan 8.150 nan 0.000 0.437 149 F N -1.172 118.756 119.950 -0.037 0.000 2.654 149 F HA 0.616 5.143 4.527 -0.000 0.000 0.308 149 F C -0.943 174.836 175.800 -0.035 0.000 1.108 149 F CA -1.281 56.687 58.000 -0.055 0.000 0.957 149 F CB 0.907 39.885 39.000 -0.036 0.000 1.309 149 F HN 0.288 nan 8.300 nan 0.000 0.446 150 V N 2.485 122.449 119.914 0.083 0.000 2.425 150 V HA 0.321 4.441 4.120 -0.000 0.000 0.276 150 V C 0.919 177.109 176.094 0.160 0.000 1.017 150 V CA 1.048 63.370 62.300 0.036 0.000 1.062 150 V CB 0.356 32.196 31.823 0.028 0.000 0.997 150 V HN 1.100 nan 8.190 nan 0.000 0.476 151 G N 3.345 112.134 108.800 -0.019 0.000 3.690 151 G HA2 0.233 4.193 3.960 -0.000 0.000 0.283 151 G HA3 0.233 4.193 3.960 -0.000 0.000 0.283 151 G C 0.579 175.550 174.900 0.119 0.000 1.057 151 G CA 0.371 45.510 45.100 0.066 0.000 0.821 151 G HN 0.742 nan 8.290 nan 0.000 0.526 152 S N 0.148 115.942 115.700 0.156 0.000 2.641 152 S HA 0.503 4.973 4.470 -0.000 0.000 0.261 152 S C 0.879 175.607 174.600 0.214 0.000 1.257 152 S CA 0.095 58.392 58.200 0.162 0.000 0.983 152 S CB 0.873 64.177 63.200 0.173 0.000 0.990 152 S HN 0.674 nan 8.310 nan 0.000 0.572 153 S N 0.853 116.657 115.700 0.173 0.000 2.558 153 S HA 0.156 4.626 4.470 -0.000 0.000 0.288 153 S C -0.182 174.532 174.600 0.191 0.000 1.318 153 S CA -0.621 57.668 58.200 0.149 0.000 1.056 153 S CB -0.350 62.907 63.200 0.096 0.000 0.853 153 S HN 0.825 nan 8.310 nan 0.000 0.505 154 N N 1.466 120.244 118.700 0.130 0.000 2.558 154 N HA 0.285 5.025 4.740 -0.000 0.000 0.285 154 N C -1.868 173.623 175.510 -0.031 0.000 1.112 154 N CA -0.312 52.770 53.050 0.053 0.000 0.857 154 N CB 1.890 40.507 38.487 0.217 0.000 1.376 154 N HN 0.698 nan 8.380 nan 0.000 0.526 155 T N 1.681 116.156 114.554 -0.131 0.000 2.864 155 T HA 0.407 4.757 4.350 -0.000 0.000 0.299 155 T C -0.392 174.247 174.700 -0.103 0.000 1.011 155 T CA -0.339 61.713 62.100 -0.080 0.000 0.975 155 T CB 0.931 69.763 68.868 -0.060 0.000 0.962 155 T HN 0.263 nan 8.240 nan 0.000 0.448 156 S N 2.273 117.956 115.700 -0.029 0.000 2.651 156 S HA 0.857 5.327 4.470 -0.000 0.000 0.291 156 S C 0.032 174.647 174.600 0.026 0.000 1.141 156 S CA -0.854 57.361 58.200 0.025 0.000 1.027 156 S CB 1.305 64.579 63.200 0.122 0.000 1.043 156 S HN 0.872 nan 8.310 nan 0.000 0.530 157 S N 0.916 116.630 115.700 0.023 0.000 2.588 157 S HA 0.924 5.394 4.470 -0.000 0.000 0.275 157 S C -1.124 173.438 174.600 -0.063 0.000 1.130 157 S CA -0.912 57.195 58.200 -0.154 0.000 0.855 157 S CB 1.281 64.380 63.200 -0.169 0.000 1.116 157 S HN 0.820 nan 8.310 nan 0.000 0.472 158 F N -2.239 117.628 119.950 -0.138 0.000 2.807 158 F HA 0.761 5.288 4.527 -0.000 0.000 0.316 158 F C -1.280 174.367 175.800 -0.256 0.000 1.162 158 F CA -0.897 56.913 58.000 -0.318 0.000 0.910 158 F CB 1.098 39.868 39.000 -0.383 0.000 1.314 158 F HN 0.498 nan 8.300 nan 0.000 0.454 159 T N 2.424 116.897 114.554 -0.134 0.000 2.864 159 T HA 0.498 4.848 4.350 -0.000 0.000 0.310 159 T C -2.832 171.962 174.700 0.157 0.000 1.040 159 T CA -1.235 60.851 62.100 -0.025 0.000 0.977 159 T CB 1.299 70.115 68.868 -0.086 0.000 0.976 159 T HN 0.311 nan 8.240 nan 0.000 0.459 160 P HA 0.214 nan 4.420 nan 0.000 0.266 160 P C -0.846 176.610 177.300 0.260 0.000 1.193 160 P CA -0.305 63.043 63.100 0.414 0.000 0.770 160 P CB 0.600 32.490 31.700 0.316 0.000 0.836 161 V N 1.652 121.712 119.914 0.242 0.000 2.932 161 V HA 0.562 4.682 4.120 -0.000 0.000 0.307 161 V C -1.040 175.099 176.094 0.075 0.000 1.147 161 V CA -0.468 61.918 62.300 0.143 0.000 0.951 161 V CB 2.363 34.279 31.823 0.156 0.000 1.031 161 V HN 0.662 nan 8.190 nan 0.000 0.426 162 S N 6.892 122.623 115.700 0.052 0.000 2.454 162 S HA 0.801 5.271 4.470 -0.000 0.000 0.306 162 S C -0.806 173.808 174.600 0.023 0.000 1.100 162 S CA -0.667 57.546 58.200 0.021 0.000 1.087 162 S CB 1.348 64.564 63.200 0.026 0.000 1.019 162 S HN 0.669 nan 8.310 nan 0.000 0.480 163 I N 2.655 123.227 120.570 0.004 0.000 2.410 163 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 163 I C -0.633 175.494 176.117 0.016 0.000 1.009 163 I CA -0.790 60.521 61.300 0.019 0.000 1.111 163 I CB 1.541 39.552 38.000 0.018 0.000 1.262 163 I HN 0.557 nan 8.210 nan 0.000 0.443 164 D N 5.185 125.605 120.400 0.034 0.000 2.371 164 D HA 0.107 4.747 4.640 -0.000 0.000 0.242 164 D C 0.129 176.448 176.300 0.031 0.000 1.218 164 D CA -0.176 53.845 54.000 0.036 0.000 0.945 164 D CB 0.682 41.507 40.800 0.042 0.000 1.137 164 D HN 0.447 nan 8.370 nan 0.000 0.464 165 E N 0.350 120.566 120.200 0.027 0.000 2.529 165 E HA -0.084 4.266 4.350 -0.000 0.000 0.259 165 E C 0.150 176.775 176.600 0.042 0.000 0.966 165 E CA 0.544 56.950 56.400 0.009 0.000 0.937 165 E CB 0.233 29.941 29.700 0.012 0.000 0.923 165 E HN 0.414 nan 8.360 nan 0.000 0.468 166 D N 1.273 121.684 120.400 0.020 0.000 2.978 166 D HA -0.205 4.435 4.640 -0.000 0.000 0.205 166 D C -0.593 175.924 176.300 0.361 0.000 1.093 166 D CA 1.613 55.749 54.000 0.226 0.000 1.006 166 D CB -0.424 40.522 40.800 0.243 0.000 1.116 166 D HN 0.575 nan 8.370 nan 0.000 0.419 167 E N -0.576 119.748 120.200 0.207 0.000 2.342 167 E HA 0.462 4.812 4.350 -0.000 0.000 0.257 167 E C -0.200 176.569 176.600 0.281 0.000 1.150 167 E CA -0.649 55.876 56.400 0.208 0.000 0.926 167 E CB 1.609 31.380 29.700 0.117 0.000 1.074 167 E HN -0.021 nan 8.360 nan 0.000 0.449 168 V N 0.971 121.013 119.914 0.214 0.000 2.444 168 V HA 0.537 4.657 4.120 -0.000 0.000 0.294 168 V C 0.160 176.333 176.094 0.132 0.000 1.022 168 V CA -0.605 61.817 62.300 0.204 0.000 0.850 168 V CB 1.558 33.477 31.823 0.160 0.000 0.992 168 V HN 0.745 nan 8.190 nan 0.000 0.426 169 G N 2.199 111.075 108.800 0.126 0.000 2.481 169 G HA2 0.712 4.672 3.960 -0.000 0.000 0.315 169 G HA3 0.712 4.672 3.960 -0.000 0.000 0.315 169 G C -0.397 174.563 174.900 0.100 0.000 1.231 169 G CA -0.516 44.642 45.100 0.096 0.000 0.968 169 G HN 0.704 nan 8.290 nan 0.000 0.482 170 T N -1.611 112.987 114.554 0.073 0.000 2.794 170 T HA 0.583 4.933 4.350 -0.000 0.000 0.280 170 T C -1.069 173.649 174.700 0.030 0.000 0.987 170 T CA -0.651 61.477 62.100 0.046 0.000 0.993 170 T CB 1.548 70.432 68.868 0.028 0.000 0.939 170 T HN 0.366 nan 8.240 nan 0.000 0.449 171 F N 4.512 124.284 119.950 -0.298 0.000 2.293 171 F HA 0.530 5.057 4.527 -0.000 0.000 0.370 171 F C -0.540 175.051 175.800 -0.347 0.000 1.090 171 F CA -1.442 56.327 58.000 -0.384 0.000 1.133 171 F CB 0.405 38.975 39.000 -0.717 0.000 1.360 171 F HN 0.488 nan 8.300 nan 0.000 0.489 172 V N 5.890 125.529 119.914 -0.460 0.000 2.572 172 V HA 0.278 4.397 4.120 -0.000 0.000 0.291 172 V C 0.278 176.048 176.094 -0.540 0.000 1.039 172 V CA -0.043 62.043 62.300 -0.357 0.000 1.055 172 V CB 0.113 31.819 31.823 -0.195 0.000 0.969 172 V HN 0.979 nan 8.190 nan 0.000 0.482 173 C N 2.663 121.788 119.300 -0.292 0.000 3.285 173 C HA 1.036 5.496 4.460 -0.000 0.000 0.325 173 C C -0.067 174.966 174.990 0.072 0.000 1.304 173 C CA -0.061 58.868 59.018 -0.149 0.000 1.319 173 C CB 1.193 28.833 27.740 -0.167 0.000 1.640 173 C HN 1.314 nan 8.230 nan 0.000 0.477 174 G N 0.252 109.129 108.800 0.129 0.000 2.506 174 G HA2 0.776 4.736 3.960 -0.000 0.000 0.292 174 G HA3 0.776 4.736 3.960 -0.000 0.000 0.292 174 G C -1.488 173.514 174.900 0.171 0.000 1.425 174 G CA -0.251 44.975 45.100 0.211 0.000 0.788 174 G HN 1.132 nan 8.290 nan 0.000 0.490 175 T N 0.192 114.859 114.554 0.187 0.000 2.933 175 T HA 0.689 5.039 4.350 -0.000 0.000 0.305 175 T C -0.816 173.729 174.700 -0.258 0.000 1.092 175 T CA -0.423 61.632 62.100 -0.076 0.000 1.008 175 T CB 1.984 70.763 68.868 -0.148 0.000 1.102 175 T HN 0.538 nan 8.240 nan 0.000 0.469 176 T N 2.796 117.132 114.554 -0.364 0.000 2.792 176 T HA 0.661 5.011 4.350 -0.000 0.000 0.280 176 T C -0.853 173.621 174.700 -0.377 0.000 0.990 176 T CA -0.423 61.525 62.100 -0.254 0.000 0.960 176 T CB 0.287 69.088 68.868 -0.112 0.000 0.939 176 T HN 0.338 nan 8.240 nan 0.000 0.439 177 F N 0.436 120.458 119.950 0.119 0.000 2.470 177 F HA 0.540 5.067 4.527 -0.000 0.000 0.329 177 F C 1.613 177.471 175.800 0.097 0.000 1.072 177 F CA -0.939 57.139 58.000 0.129 0.000 0.989 177 F CB 1.081 40.188 39.000 0.179 0.000 1.193 177 F HN 0.678 nan 8.300 nan 0.000 0.481 178 G N 0.676 109.642 108.800 0.277 0.000 2.598 178 G HA2 0.336 4.296 3.960 -0.000 0.000 0.215 178 G HA3 0.336 4.296 3.960 -0.000 0.000 0.215 178 G C 0.068 175.060 174.900 0.153 0.000 1.131 178 G CA 0.732 45.933 45.100 0.168 0.000 0.785 178 G HN 0.758 nan 8.290 nan 0.000 0.539 179 A N -0.591 122.346 122.820 0.194 0.000 2.539 179 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 179 A C -2.989 174.687 177.584 0.154 0.000 1.073 179 A CA -1.394 50.724 52.037 0.135 0.000 0.700 179 A CB 1.292 20.350 19.000 0.096 0.000 1.296 179 A HN -0.023 nan 8.150 nan 0.000 0.405 180 P HA 0.159 nan 4.420 nan 0.000 0.265 180 P C -0.459 176.899 177.300 0.097 0.000 1.193 180 P CA 0.097 63.271 63.100 0.123 0.000 0.765 180 P CB 0.239 31.989 31.700 0.083 0.000 0.823 181 I N 2.267 122.915 120.570 0.130 0.000 2.474 181 I HA 0.446 4.616 4.170 -0.000 0.000 0.287 181 I C 0.693 176.832 176.117 0.038 0.000 1.048 181 I CA -0.298 61.010 61.300 0.013 0.000 1.383 181 I CB 0.365 38.297 38.000 -0.114 0.000 1.412 181 I HN 0.359 nan 8.210 nan 0.000 0.531 182 A N 4.479 127.292 122.820 -0.011 0.000 2.498 182 A HA 0.742 5.062 4.320 -0.000 0.000 0.298 182 A C 0.461 178.029 177.584 -0.027 0.000 1.075 182 A CA -0.152 51.885 52.037 0.000 0.000 0.714 182 A CB 1.485 20.486 19.000 0.003 0.000 1.299 182 A HN 0.756 nan 8.150 nan 0.000 0.407 183 A N 0.471 123.284 122.820 -0.013 0.000 2.119 183 A HA 0.259 4.579 4.320 -0.000 0.000 0.217 183 A C 1.132 178.698 177.584 -0.031 0.000 1.153 183 A CA 1.415 53.439 52.037 -0.023 0.000 0.692 183 A CB -0.799 18.200 19.000 -0.003 0.000 0.799 183 A HN 0.854 nan 8.150 nan 0.000 0.458 184 T N 0.865 115.404 114.554 -0.025 0.000 2.933 184 T HA 0.310 4.660 4.350 -0.000 0.000 0.306 184 T C 1.094 175.770 174.700 -0.040 0.000 1.045 184 T CA 0.890 62.975 62.100 -0.026 0.000 1.143 184 T CB 0.357 69.213 68.868 -0.020 0.000 1.003 184 T HN 1.578 nan 8.240 nan 0.000 0.540 185 A N 2.596 125.394 122.820 -0.036 0.000 2.799 185 A HA -0.004 4.316 4.320 -0.000 0.000 0.287 185 A C 1.699 179.248 177.584 -0.058 0.000 1.484 185 A CA 1.252 53.264 52.037 -0.041 0.000 0.813 185 A CB -2.180 16.796 19.000 -0.041 0.000 1.009 185 A HN 2.562 nan 8.150 nan 0.000 0.545 186 G N -2.539 106.223 108.800 -0.063 0.000 2.225 186 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.267 186 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.267 186 G C 1.729 176.539 174.900 -0.150 0.000 1.024 186 G CA 1.174 46.220 45.100 -0.090 0.000 0.784 186 G HN 2.309 nan 8.290 nan 0.000 0.507 187 G N 0.135 108.854 108.800 -0.135 0.000 2.708 187 G HA2 0.079 4.039 3.960 -0.000 0.000 0.210 187 G HA3 0.079 4.039 3.960 -0.000 0.000 0.210 187 G C 1.049 175.800 174.900 -0.248 0.000 1.141 187 G CA 1.011 46.002 45.100 -0.182 0.000 0.788 187 G HN 1.059 nan 8.290 nan 0.000 0.531 188 N N -0.985 117.598 118.700 -0.195 0.000 2.204 188 N HA 0.267 5.007 4.740 -0.000 0.000 0.219 188 N C 0.049 175.516 175.510 -0.072 0.000 1.151 188 N CA -0.400 52.596 53.050 -0.090 0.000 0.867 188 N CB 0.223 38.681 38.487 -0.048 0.000 1.043 188 N HN 0.087 nan 8.380 nan 0.000 0.516 189 L N 1.181 122.194 121.223 -0.350 0.000 2.289 189 L HA 0.531 4.871 4.340 -0.000 0.000 0.285 189 L C -1.041 175.482 176.870 -0.578 0.000 1.049 189 L CA -0.734 53.954 54.840 -0.253 0.000 0.804 189 L CB 0.613 42.566 42.059 -0.175 0.000 1.195 189 L HN 0.046 nan 8.230 nan 0.000 0.428 190 F N 0.181 120.122 119.950 -0.015 0.000 2.664 190 F HA 0.421 4.948 4.527 -0.000 0.000 0.317 190 F C -0.422 175.322 175.800 -0.092 0.000 1.108 190 F CA -0.969 57.013 58.000 -0.030 0.000 0.957 190 F CB 1.868 40.848 39.000 -0.034 0.000 1.365 190 F HN 0.305 nan 8.300 nan 0.000 0.475 191 D N 2.195 122.658 120.400 0.104 0.000 2.425 191 D HA 0.258 4.898 4.640 -0.000 0.000 0.240 191 D C -0.988 175.188 176.300 -0.207 0.000 1.080 191 D CA -0.178 53.740 54.000 -0.136 0.000 0.836 191 D CB 2.134 42.821 40.800 -0.189 0.000 1.125 191 D HN 0.455 nan 8.370 nan 0.000 0.525 192 M N 3.444 122.874 119.600 -0.284 0.000 2.108 192 M HA 0.242 4.722 4.480 -0.000 0.000 0.354 192 M C -1.486 174.624 176.300 -0.317 0.000 1.229 192 M CA -0.427 54.744 55.300 -0.216 0.000 1.081 192 M CB 0.478 32.970 32.600 -0.180 0.000 1.606 192 M HN 0.220 nan 8.290 nan 0.000 0.467 193 Y N 4.522 124.809 120.300 -0.023 0.000 2.335 193 Y HA 0.473 5.023 4.550 -0.000 0.000 0.339 193 Y C -0.065 175.825 175.900 -0.016 0.000 0.987 193 Y CA -0.735 57.350 58.100 -0.026 0.000 1.140 193 Y CB 1.281 39.729 38.460 -0.019 0.000 1.173 193 Y HN 0.499 nan 8.280 nan 0.000 0.486 194 V N 0.613 120.566 119.914 0.066 0.000 2.417 194 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 194 V C -0.701 175.375 176.094 -0.030 0.000 1.024 194 V CA -0.879 61.415 62.300 -0.010 0.000 0.861 194 V CB 1.155 32.957 31.823 -0.035 0.000 0.985 194 V HN 0.807 nan 8.190 nan 0.000 0.436 195 H N 3.910 122.882 119.070 -0.163 0.000 2.742 195 H HA 0.683 5.239 4.556 -0.000 0.000 0.302 195 H C -0.683 174.533 175.328 -0.187 0.000 1.069 195 H CA 0.011 55.977 56.048 -0.137 0.000 1.446 195 H CB 1.326 31.017 29.762 -0.119 0.000 1.462 195 H HN 0.733 nan 8.280 nan 0.000 0.499 196 V N 5.680 125.235 119.914 -0.599 0.000 2.495 196 V HA 0.457 4.577 4.120 -0.000 0.000 0.298 196 V C -0.182 175.565 176.094 -0.578 0.000 1.031 196 V CA -0.606 61.398 62.300 -0.494 0.000 0.871 196 V CB 1.919 33.542 31.823 -0.334 0.000 0.988 196 V HN 0.950 nan 8.190 nan 0.000 0.432 197 T N 2.748 117.036 114.554 -0.444 0.000 2.923 197 T HA 0.413 4.763 4.350 -0.000 0.000 0.311 197 T C -0.290 174.249 174.700 -0.270 0.000 1.183 197 T CA -0.284 61.639 62.100 -0.294 0.000 1.020 197 T CB 1.520 70.302 68.868 -0.145 0.000 1.165 197 T HN 0.476 nan 8.240 nan 0.000 0.482 198 Y N 0.923 121.183 120.300 -0.067 0.000 2.466 198 Y HA 0.053 4.603 4.550 -0.000 0.000 0.272 198 Y C 2.552 178.439 175.900 -0.021 0.000 1.169 198 Y CA 0.120 58.193 58.100 -0.044 0.000 1.285 198 Y CB 0.230 38.663 38.460 -0.045 0.000 1.078 198 Y HN 0.753 nan 8.280 nan 0.000 0.523 199 S N -0.008 115.754 115.700 0.103 0.000 2.500 199 S HA 0.225 4.695 4.470 -0.000 0.000 0.210 199 S C 1.240 175.878 174.600 0.064 0.000 1.101 199 S CA 0.469 58.716 58.200 0.078 0.000 1.272 199 S CB -1.054 62.185 63.200 0.066 0.000 1.071 199 S HN 0.580 nan 8.310 nan 0.000 0.397 200 G N -0.656 108.172 108.800 0.048 0.000 2.784 200 G HA2 0.278 4.238 3.960 -0.000 0.000 0.686 200 G HA3 0.278 4.238 3.960 -0.000 0.000 0.686 200 G C -0.523 174.402 174.900 0.042 0.000 1.156 200 G CA -0.426 44.699 45.100 0.042 0.000 0.757 200 G HN 0.873 nan 8.290 nan 0.000 0.642 201 T N 0.000 114.579 114.554 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 0.041 0.000 0.612 201 T HN 0.000 nan 8.240 nan 0.000 0.658