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 1tnz_1_L DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.926 176.870 0.094 0.000 1.165 18 L CA 0.000 54.880 54.840 0.066 0.000 0.813 18 L CB 0.000 42.095 42.059 0.061 0.000 0.961 19 D N -0.221 120.234 120.400 0.091 0.000 2.228 19 D HA 0.345 4.986 4.640 0.002 0.000 0.247 19 D C -0.759 175.655 176.300 0.191 0.000 0.995 19 D CA -0.375 53.701 54.000 0.127 0.000 0.903 19 D CB 1.561 42.406 40.800 0.076 0.000 1.205 19 D HN 0.241 nan 8.370 nan 0.000 0.459 20 F N 1.465 121.458 119.950 0.073 0.000 2.434 20 F HA 0.236 4.764 4.527 0.002 0.000 0.358 20 F C -0.331 175.510 175.800 0.068 0.000 1.136 20 F CA -1.196 56.879 58.000 0.125 0.000 1.157 20 F CB 0.286 39.374 39.000 0.148 0.000 1.167 20 F HN 0.154 nan 8.300 nan 0.000 0.539 21 L N 7.794 128.771 121.223 -0.410 0.000 2.544 21 L HA 0.119 4.461 4.340 0.002 0.000 0.240 21 L C 1.994 178.331 176.870 -0.889 0.000 1.421 21 L CA 0.546 55.036 54.840 -0.583 0.000 1.206 21 L CB -1.284 40.431 42.059 -0.572 0.000 1.463 21 L HN 0.685 nan 8.230 nan 0.000 0.437 22 R N 0.203 120.192 120.500 -0.851 0.000 2.113 22 R HA -0.222 4.119 4.340 0.002 0.000 0.244 22 R C 1.306 177.438 176.300 -0.280 0.000 1.142 22 R CA 2.134 57.879 56.100 -0.591 0.000 0.953 22 R CB 0.136 30.341 30.300 -0.158 0.000 0.860 22 R HN 0.460 nan 8.270 nan 0.000 0.438 23 D N -0.248 120.016 120.400 -0.226 0.000 2.117 23 D HA -0.178 4.464 4.640 0.002 0.000 0.197 23 D C 1.968 178.161 176.300 -0.179 0.000 0.987 23 D CA 1.118 55.033 54.000 -0.141 0.000 0.829 23 D CB -0.280 40.452 40.800 -0.113 0.000 0.961 23 D HN 0.296 nan 8.370 nan 0.000 0.460 24 R N -0.167 120.142 120.500 -0.319 0.000 2.120 24 R HA -0.132 4.209 4.340 0.002 0.000 0.234 24 R C 1.958 178.073 176.300 -0.308 0.000 1.123 24 R CA 1.040 56.939 56.100 -0.336 0.000 0.975 24 R CB -0.011 30.013 30.300 -0.460 0.000 0.866 24 R HN 0.315 nan 8.270 nan 0.000 0.446 25 H N -0.830 118.096 119.070 -0.241 0.000 2.524 25 H HA -0.016 4.542 4.556 0.002 0.000 0.282 25 H C 2.016 177.307 175.328 -0.062 0.000 1.016 25 H CA 1.048 56.941 56.048 -0.258 0.000 1.270 25 H CB 0.188 29.788 29.762 -0.270 0.000 1.394 25 H HN 0.069 nan 8.280 nan 0.000 0.568 26 V N 0.937 120.917 119.914 0.110 0.000 2.346 26 V HA -0.144 3.977 4.120 0.002 0.000 0.244 26 V C 2.589 178.764 176.094 0.135 0.000 1.037 26 V CA 1.138 63.549 62.300 0.185 0.000 1.029 26 V CB -0.146 31.740 31.823 0.105 0.000 0.663 26 V HN 0.255 nan 8.190 nan 0.000 0.454 27 R N -0.592 119.935 120.500 0.046 0.000 2.096 27 R HA -0.143 4.198 4.340 0.002 0.000 0.235 27 R C 2.175 178.485 176.300 0.018 0.000 1.127 27 R CA 1.692 57.800 56.100 0.012 0.000 0.968 27 R CB -0.929 29.353 30.300 -0.030 0.000 0.861 27 R HN 0.569 nan 8.270 nan 0.000 0.440 28 F N 0.610 120.483 119.950 -0.127 0.000 2.031 28 F HA -0.213 4.316 4.527 0.002 0.000 0.295 28 F C 2.084 177.817 175.800 -0.112 0.000 1.133 28 F CA 1.614 59.507 58.000 -0.179 0.000 1.188 28 F CB -0.589 38.230 39.000 -0.301 0.000 0.974 28 F HN -0.125 nan 8.300 nan 0.000 0.473 29 F N 0.523 120.636 119.950 0.271 0.000 2.161 29 F HA -0.298 4.230 4.527 0.003 0.000 0.300 29 F C 2.733 178.506 175.800 -0.045 0.000 1.089 29 F CA 1.504 59.575 58.000 0.118 0.000 1.282 29 F CB -0.763 38.312 39.000 0.126 0.000 1.010 29 F HN 0.148 nan 8.300 nan 0.000 0.485 30 Q N 0.922 120.810 119.800 0.145 0.000 2.096 30 Q HA -0.270 4.071 4.340 0.002 0.000 0.204 30 Q C 2.369 178.333 176.000 -0.060 0.000 0.982 30 Q CA 1.718 57.537 55.803 0.026 0.000 0.850 30 Q CB -0.213 28.533 28.738 0.014 0.000 0.901 30 Q HN 0.336 nan 8.270 nan 0.000 0.422 31 R N -0.539 119.888 120.500 -0.122 0.000 2.096 31 R HA -0.134 4.207 4.340 0.002 0.000 0.235 31 R C 2.216 178.380 176.300 -0.228 0.000 1.127 31 R CA 1.646 57.628 56.100 -0.197 0.000 0.968 31 R CB -0.327 29.804 30.300 -0.282 0.000 0.861 31 R HN 0.427 nan 8.270 nan 0.000 0.440 32 C N 0.474 119.627 119.300 -0.245 0.000 2.422 32 C HA -0.008 4.453 4.460 0.002 0.000 0.279 32 C C 2.236 177.137 174.990 -0.149 0.000 1.305 32 C CA 0.080 58.974 59.018 -0.208 0.000 1.757 32 C CB -0.759 26.921 27.740 -0.101 0.000 1.962 32 C HN 0.453 nan 8.230 nan 0.000 0.499 33 L N 0.864 122.013 121.223 -0.124 0.000 2.395 33 L HA -0.023 4.318 4.340 0.002 0.000 0.218 33 L C 2.243 179.001 176.870 -0.188 0.000 1.130 33 L CA 1.484 56.227 54.840 -0.161 0.000 0.826 33 L CB -1.440 40.537 42.059 -0.137 0.000 0.941 33 L HN 0.578 nan 8.230 nan 0.000 0.451 34 Q N -1.025 118.680 119.800 -0.159 0.000 1.786 34 Q HA 0.144 4.486 4.340 0.002 0.000 0.353 34 Q C -0.134 175.782 176.000 -0.140 0.000 0.943 34 Q CA 0.480 56.196 55.803 -0.146 0.000 0.879 34 Q CB 0.237 28.903 28.738 -0.121 0.000 1.049 34 Q HN 0.110 nan 8.270 nan 0.000 0.435 35 V N 1.185 121.025 119.914 -0.122 0.000 2.709 35 V HA 0.391 4.512 4.120 0.002 0.000 0.308 35 V C -1.022 175.014 176.094 -0.098 0.000 1.062 35 V CA -0.600 61.643 62.300 -0.095 0.000 0.901 35 V CB 1.994 33.778 31.823 -0.066 0.000 1.003 35 V HN 0.256 nan 8.190 nan 0.000 0.425 36 L N 5.610 126.792 121.223 -0.067 0.000 2.342 36 L HA 0.665 5.007 4.340 0.002 0.000 0.271 36 L C -2.134 174.785 176.870 0.082 0.000 1.008 36 L CA -1.738 53.070 54.840 -0.052 0.000 0.818 36 L CB 1.871 43.865 42.059 -0.109 0.000 1.296 36 L HN 0.449 nan 8.230 nan 0.000 0.427 37 P HA 0.018 nan 4.420 nan 0.000 0.272 37 P C 0.133 177.545 177.300 0.186 0.000 1.240 37 P CA -0.336 62.865 63.100 0.169 0.000 0.791 37 P CB 0.978 32.786 31.700 0.180 0.000 0.978 38 E N 0.765 121.019 120.200 0.090 0.000 2.396 38 E HA -0.198 4.154 4.350 0.002 0.000 0.200 38 E C 1.674 178.282 176.600 0.013 0.000 1.023 38 E CA 0.516 56.951 56.400 0.060 0.000 0.857 38 E CB 0.007 29.727 29.700 0.032 0.000 0.775 38 E HN 0.381 nan 8.360 nan 0.000 0.525 39 R N -0.878 119.587 120.500 -0.059 0.000 2.339 39 R HA -0.106 4.236 4.340 0.002 0.000 0.199 39 R C 0.473 176.508 176.300 -0.442 0.000 1.018 39 R CA 0.922 56.872 56.100 -0.251 0.000 1.036 39 R CB -0.239 29.859 30.300 -0.338 0.000 0.899 39 R HN 0.213 nan 8.270 nan 0.000 0.473 40 Y N 0.927 121.247 120.300 0.034 0.000 2.607 40 Y HA 0.180 4.731 4.550 0.002 0.000 0.266 40 Y C 1.904 177.827 175.900 0.037 0.000 1.178 40 Y CA -0.068 58.058 58.100 0.042 0.000 1.226 40 Y CB 0.745 39.230 38.460 0.042 0.000 1.144 40 Y HN 0.213 nan 8.280 nan 0.000 0.528 41 S N -0.624 115.129 115.700 0.089 0.000 2.440 41 S HA -0.250 4.221 4.470 0.002 0.000 0.240 41 S C 1.981 176.610 174.600 0.049 0.000 1.014 41 S CA 1.528 59.768 58.200 0.066 0.000 0.980 41 S CB -0.732 62.489 63.200 0.035 0.000 0.775 41 S HN 0.488 nan 8.310 nan 0.000 0.499 42 S N 1.134 116.864 115.700 0.049 0.000 2.555 42 S HA 0.219 4.691 4.470 0.002 0.000 0.230 42 S C 1.445 176.076 174.600 0.050 0.000 0.978 42 S CA 0.340 58.562 58.200 0.038 0.000 0.934 42 S CB -0.619 62.605 63.200 0.042 0.000 0.766 42 S HN 0.578 nan 8.310 nan 0.000 0.533 43 L N 0.496 121.771 121.223 0.088 0.000 2.585 43 L HA 0.256 4.597 4.340 0.002 0.000 0.226 43 L C 2.487 179.385 176.870 0.046 0.000 1.113 43 L CA 0.248 55.142 54.840 0.091 0.000 0.876 43 L CB -0.278 41.875 42.059 0.157 0.000 1.072 43 L HN 0.219 nan 8.230 nan 0.000 0.468 44 E N 1.355 121.572 120.200 0.028 0.000 2.095 44 E HA -0.296 4.055 4.350 0.002 0.000 0.212 44 E C 1.947 178.519 176.600 -0.046 0.000 1.044 44 E CA 2.487 58.895 56.400 0.013 0.000 0.857 44 E CB -0.335 29.360 29.700 -0.008 0.000 0.764 44 E HN 0.405 nan 8.360 nan 0.000 0.462 45 T N -2.746 111.683 114.554 -0.208 0.000 3.284 45 T HA 0.140 4.491 4.350 0.002 0.000 0.252 45 T C 0.795 175.397 174.700 -0.163 0.000 1.144 45 T CA 0.647 62.555 62.100 -0.321 0.000 1.021 45 T CB -0.107 68.421 68.868 -0.567 0.000 0.984 45 T HN 0.014 nan 8.240 nan 0.000 0.545 46 S N -0.059 115.597 115.700 -0.073 0.000 3.031 46 S HA 0.328 4.800 4.470 0.002 0.000 0.253 46 S C 1.340 175.941 174.600 0.003 0.000 0.996 46 S CA -0.745 57.419 58.200 -0.060 0.000 1.098 46 S CB 0.305 63.483 63.200 -0.037 0.000 1.042 46 S HN 0.386 nan 8.310 nan 0.000 0.593 47 R N 0.776 121.316 120.500 0.066 0.000 2.120 47 R HA -0.023 4.318 4.340 0.002 0.000 0.234 47 R C 2.018 178.429 176.300 0.185 0.000 1.123 47 R CA 1.006 57.190 56.100 0.141 0.000 0.975 47 R CB -0.343 30.099 30.300 0.237 0.000 0.866 47 R HN 0.274 nan 8.270 nan 0.000 0.446 48 L N 0.958 122.275 121.223 0.156 0.000 2.083 48 L HA -0.159 4.183 4.340 0.002 0.000 0.209 48 L C 2.381 179.226 176.870 -0.040 0.000 1.083 48 L CA 2.328 57.237 54.840 0.116 0.000 0.752 48 L CB -0.871 41.149 42.059 -0.065 0.000 0.899 48 L HN 0.277 nan 8.230 nan 0.000 0.433 49 T N -3.263 111.200 114.554 -0.153 0.000 2.951 49 T HA -0.089 4.263 4.350 0.002 0.000 0.268 49 T C 1.933 176.313 174.700 -0.533 0.000 1.073 49 T CA 0.982 62.862 62.100 -0.366 0.000 1.134 49 T CB -0.425 68.218 68.868 -0.374 0.000 0.884 49 T HN 0.209 nan 8.240 nan 0.000 0.479 50 I N 2.224 122.656 120.570 -0.230 0.000 2.353 50 I HA 0.057 4.228 4.170 0.002 0.000 0.248 50 I C 3.127 179.194 176.117 -0.084 0.000 1.119 50 I CA 1.041 62.285 61.300 -0.093 0.000 1.417 50 I CB -1.784 36.239 38.000 0.038 0.000 1.078 50 I HN 0.391 nan 8.210 nan 0.000 0.421 51 A N 0.895 123.683 122.820 -0.052 0.000 1.908 51 A HA -0.270 4.051 4.320 0.002 0.000 0.218 51 A C 2.298 179.807 177.584 -0.124 0.000 1.181 51 A CA 1.514 53.525 52.037 -0.044 0.000 0.627 51 A CB -1.090 17.981 19.000 0.118 0.000 0.818 51 A HN 0.391 nan 8.150 nan 0.000 0.445 52 F N -0.093 119.657 119.950 -0.333 0.000 2.102 52 F HA -0.158 4.370 4.527 0.002 0.000 0.298 52 F C 1.982 177.460 175.800 -0.538 0.000 1.105 52 F CA 1.607 59.331 58.000 -0.460 0.000 1.239 52 F CB -0.540 38.110 39.000 -0.584 0.000 0.991 52 F HN 0.261 nan 8.300 nan 0.000 0.474 53 F N 0.212 119.788 119.950 -0.623 0.000 2.126 53 F HA -0.231 4.297 4.527 0.002 0.000 0.299 53 F C 2.602 177.909 175.800 -0.822 0.000 1.096 53 F CA 0.612 58.081 58.000 -0.886 0.000 1.255 53 F CB -0.846 37.991 39.000 -0.272 0.000 0.997 53 F HN 0.146 nan 8.300 nan 0.000 0.479 54 A N 0.464 123.111 122.820 -0.289 0.000 1.872 54 A HA -0.078 4.244 4.320 0.002 0.000 0.214 54 A C 2.142 179.383 177.584 -0.571 0.000 1.187 54 A CA 1.049 52.886 52.037 -0.334 0.000 0.614 54 A CB -0.957 18.033 19.000 -0.017 0.000 0.826 54 A HN 0.329 nan 8.150 nan 0.000 0.442 55 L N -0.846 120.113 121.223 -0.439 0.000 2.027 55 L HA -0.138 4.204 4.340 0.002 0.000 0.206 55 L C 2.889 179.476 176.870 -0.471 0.000 1.074 55 L CA 1.599 56.220 54.840 -0.366 0.000 0.745 55 L CB -0.541 41.373 42.059 -0.242 0.000 0.898 55 L HN 0.468 nan 8.230 nan 0.000 0.433 56 S N -0.073 115.195 115.700 -0.721 0.000 2.402 56 S HA -0.107 4.365 4.470 0.002 0.000 0.229 56 S C 1.957 176.246 174.600 -0.519 0.000 1.021 56 S CA 1.223 59.005 58.200 -0.697 0.000 0.974 56 S CB -0.334 62.066 63.200 -1.335 0.000 0.800 56 S HN 0.527 nan 8.310 nan 0.000 0.484 57 G N 1.342 109.661 108.800 -0.802 0.000 2.402 57 G HA2 -0.070 3.891 3.960 0.002 0.000 0.216 57 G HA3 -0.070 3.891 3.960 0.002 0.000 0.216 57 G C 1.403 175.946 174.900 -0.595 0.000 1.162 57 G CA 0.689 45.268 45.100 -0.869 0.000 0.777 57 G HN 0.499 nan 8.290 nan 0.000 0.539 58 L N 0.328 121.219 121.223 -0.553 0.000 2.027 58 L HA -0.061 4.281 4.340 0.002 0.000 0.206 58 L C 2.629 179.443 176.870 -0.093 0.000 1.074 58 L CA 1.368 56.109 54.840 -0.165 0.000 0.745 58 L CB -0.371 41.615 42.059 -0.122 0.000 0.898 58 L HN 0.189 nan 8.230 nan 0.000 0.433 59 D N 0.247 120.559 120.400 -0.147 0.000 2.106 59 D HA -0.290 4.351 4.640 0.002 0.000 0.191 59 D C 2.125 178.397 176.300 -0.046 0.000 0.997 59 D CA 1.668 55.615 54.000 -0.088 0.000 0.834 59 D CB -0.032 40.700 40.800 -0.113 0.000 0.956 59 D HN 0.030 nan 8.370 nan 0.000 0.448 60 M N -0.422 119.142 119.600 -0.060 0.000 2.267 60 M HA -0.017 4.464 4.480 0.002 0.000 0.263 60 M C 1.577 177.897 176.300 0.033 0.000 1.063 60 M CA 1.126 56.412 55.300 -0.024 0.000 1.090 60 M CB -0.067 32.504 32.600 -0.048 0.000 1.392 60 M HN 0.128 nan 8.290 nan 0.000 0.422 61 L N -1.438 119.828 121.223 0.071 0.000 2.607 61 L HA 0.121 4.463 4.340 0.002 0.000 0.228 61 L C 0.126 177.053 176.870 0.094 0.000 1.123 61 L CA -0.166 54.760 54.840 0.143 0.000 0.890 61 L CB -0.293 41.906 42.059 0.232 0.000 1.103 61 L HN 0.239 nan 8.230 nan 0.000 0.468 62 D N 0.586 121.015 120.400 0.048 0.000 2.828 62 D HA -0.199 4.442 4.640 0.002 0.000 0.241 62 D C 0.089 176.411 176.300 0.037 0.000 1.142 62 D CA 0.666 54.686 54.000 0.033 0.000 0.755 62 D CB -0.685 40.138 40.800 0.038 0.000 1.014 62 D HN 0.198 nan 8.370 nan 0.000 0.420 63 S N 0.298 116.015 115.700 0.030 0.000 3.093 63 S HA 0.169 4.641 4.470 0.002 0.000 0.251 63 S C 1.508 176.115 174.600 0.012 0.000 0.905 63 S CA -0.582 57.637 58.200 0.032 0.000 1.124 63 S CB 0.172 63.408 63.200 0.060 0.000 1.124 63 S HN 0.397 nan 8.310 nan 0.000 0.574 64 L N 2.159 123.379 121.223 -0.006 0.000 2.265 64 L HA -0.153 4.188 4.340 0.002 0.000 0.215 64 L C 2.336 179.202 176.870 -0.008 0.000 1.117 64 L CA 1.323 56.152 54.840 -0.019 0.000 0.782 64 L CB -0.354 41.690 42.059 -0.026 0.000 0.914 64 L HN 0.501 nan 8.230 nan 0.000 0.441 65 D N 0.229 120.629 120.400 0.001 0.000 2.182 65 D HA -0.174 4.467 4.640 0.002 0.000 0.201 65 D C 1.789 178.089 176.300 0.001 0.000 0.986 65 D CA 1.588 55.589 54.000 0.002 0.000 0.847 65 D CB -0.612 40.192 40.800 0.006 0.000 0.942 65 D HN 0.406 nan 8.370 nan 0.000 0.467 66 V N -0.577 119.338 119.914 0.002 0.000 3.488 66 V HA 0.063 4.184 4.120 0.002 0.000 0.273 66 V C 0.861 176.950 176.094 -0.009 0.000 1.209 66 V CA 0.338 62.637 62.300 -0.000 0.000 1.179 66 V CB -1.415 30.413 31.823 0.008 0.000 0.842 66 V HN 0.230 nan 8.190 nan 0.000 0.515 67 V N -2.687 117.219 119.914 -0.012 0.000 3.040 67 V HA 0.607 4.728 4.120 0.002 0.000 0.312 67 V C -0.246 175.841 176.094 -0.011 0.000 1.115 67 V CA -0.976 61.312 62.300 -0.020 0.000 0.998 67 V CB 1.926 33.730 31.823 -0.031 0.000 1.042 67 V HN 0.230 nan 8.190 nan 0.000 0.433 68 N N 1.953 120.646 118.700 -0.011 0.000 2.663 68 N HA 0.237 4.979 4.740 0.002 0.000 0.250 68 N C 0.878 176.399 175.510 0.018 0.000 1.129 68 N CA -0.011 53.041 53.050 0.003 0.000 0.995 68 N CB 0.714 39.202 38.487 0.002 0.000 1.324 68 N HN 0.815 nan 8.380 nan 0.000 0.512 69 K N 1.345 121.758 120.400 0.021 0.000 2.059 69 K HA -0.192 4.129 4.320 0.002 0.000 0.212 69 K C 0.751 177.390 176.600 0.066 0.000 1.050 69 K CA 1.633 57.942 56.287 0.036 0.000 0.927 69 K CB 0.175 32.694 32.500 0.031 0.000 0.714 69 K HN 0.523 nan 8.250 nan 0.000 0.447 70 D N 1.050 121.489 120.400 0.065 0.000 2.123 70 D HA -0.159 4.483 4.640 0.002 0.000 0.196 70 D C 1.561 177.930 176.300 0.116 0.000 0.992 70 D CA 1.235 55.288 54.000 0.088 0.000 0.833 70 D CB -0.303 40.538 40.800 0.068 0.000 0.954 70 D HN 0.205 nan 8.370 nan 0.000 0.455 71 D N 0.803 121.260 120.400 0.095 0.000 2.097 71 D HA -0.083 4.558 4.640 0.002 0.000 0.195 71 D C 2.347 178.756 176.300 0.182 0.000 0.989 71 D CA 0.422 54.492 54.000 0.117 0.000 0.827 71 D CB -0.337 40.497 40.800 0.057 0.000 0.966 71 D HN 0.285 nan 8.370 nan 0.000 0.456 72 I N 0.704 121.361 120.570 0.145 0.000 2.226 72 I HA -0.201 3.970 4.170 0.002 0.000 0.245 72 I C 2.353 178.636 176.117 0.277 0.000 1.100 72 I CA 0.668 62.090 61.300 0.204 0.000 1.374 72 I CB -0.152 37.912 38.000 0.106 0.000 1.057 72 I HN -0.025 nan 8.210 nan 0.000 0.413 73 I N 0.502 121.196 120.570 0.206 0.000 2.361 73 I HA -0.239 3.932 4.170 0.002 0.000 0.251 73 I C 2.462 178.768 176.117 0.315 0.000 1.133 73 I CA 1.134 62.565 61.300 0.219 0.000 1.413 73 I CB -0.371 37.760 38.000 0.218 0.000 1.073 73 I HN 0.261 nan 8.210 nan 0.000 0.424 74 E N -0.118 120.272 120.200 0.317 0.000 2.072 74 E HA -0.232 4.119 4.350 0.002 0.000 0.190 74 E C 1.715 178.524 176.600 0.348 0.000 0.982 74 E CA 1.011 57.615 56.400 0.340 0.000 0.803 74 E CB -0.412 29.494 29.700 0.343 0.000 0.755 74 E HN 0.593 nan 8.360 nan 0.000 0.453 75 W N 1.951 123.386 121.300 0.225 0.000 2.355 75 W HA -0.128 4.533 4.660 0.002 0.000 0.309 75 W C 1.965 178.539 176.519 0.092 0.000 1.206 75 W CA 1.437 58.910 57.345 0.214 0.000 1.284 75 W CB -0.445 29.115 29.460 0.167 0.000 1.145 75 W HN -0.069 nan 8.180 nan 0.000 0.502 76 I N -0.594 119.988 120.570 0.020 0.000 2.163 76 I HA -0.376 3.795 4.170 0.002 0.000 0.243 76 I C 2.135 178.136 176.117 -0.193 0.000 1.085 76 I CA 1.559 62.715 61.300 -0.240 0.000 1.347 76 I CB -0.979 36.941 38.000 -0.134 0.000 1.044 76 I HN -0.067 nan 8.210 nan 0.000 0.408 77 Y N 1.185 121.462 120.300 -0.037 0.000 2.403 77 Y HA -0.214 4.337 4.550 0.002 0.000 0.291 77 Y C 2.936 178.661 175.900 -0.292 0.000 1.143 77 Y CA 1.428 59.473 58.100 -0.092 0.000 1.257 77 Y CB -0.569 37.856 38.460 -0.058 0.000 0.984 77 Y HN 0.279 nan 8.280 nan 0.000 0.550 78 S N -0.966 114.570 115.700 -0.275 0.000 2.515 78 S HA -0.066 4.405 4.470 0.002 0.000 0.231 78 S C 1.512 175.849 174.600 -0.440 0.000 0.987 78 S CA 0.648 58.532 58.200 -0.528 0.000 0.936 78 S CB -0.621 62.015 63.200 -0.940 0.000 0.766 78 S HN 0.491 nan 8.310 nan 0.000 0.528 79 L N 0.612 121.588 121.223 -0.412 0.000 2.592 79 L HA 0.278 4.620 4.340 0.002 0.000 0.227 79 L C 1.275 177.887 176.870 -0.431 0.000 1.127 79 L CA -0.038 54.583 54.840 -0.365 0.000 0.884 79 L CB -0.176 41.671 42.059 -0.354 0.000 1.065 79 L HN 0.418 nan 8.230 nan 0.000 0.457 80 Q N 1.272 120.679 119.800 -0.655 0.000 2.304 80 Q HA 0.193 4.535 4.340 0.002 0.000 0.260 80 Q C -0.709 174.957 176.000 -0.557 0.000 0.965 80 Q CA -0.248 54.923 55.803 -1.054 0.000 0.898 80 Q CB 1.468 29.541 28.738 -1.109 0.000 1.196 80 Q HN -0.027 nan 8.270 nan 0.000 0.402 81 V N 6.952 126.586 119.914 -0.467 0.000 2.356 81 V HA 0.169 4.291 4.120 0.002 0.000 0.258 81 V C 0.206 176.155 176.094 -0.241 0.000 1.065 81 V CA -0.148 61.986 62.300 -0.276 0.000 0.935 81 V CB 0.096 31.804 31.823 -0.192 0.000 1.061 81 V HN 0.742 nan 8.190 nan 0.000 0.484 82 L N 7.268 128.365 121.223 -0.210 0.000 2.421 82 L HA 0.460 4.801 4.340 0.002 0.000 0.263 82 L C -2.126 174.673 176.870 -0.119 0.000 1.122 82 L CA -1.864 52.878 54.840 -0.162 0.000 0.804 82 L CB 1.135 43.103 42.059 -0.152 0.000 1.150 82 L HN 0.379 nan 8.230 nan 0.000 0.457 83 P HA 0.102 nan 4.420 nan 0.000 0.271 83 P C -0.462 176.796 177.300 -0.071 0.000 1.216 83 P CA -0.461 62.593 63.100 -0.078 0.000 0.776 83 P CB 0.599 32.258 31.700 -0.069 0.000 0.881 84 T N -1.439 113.078 114.554 -0.062 0.000 2.698 84 T HA 0.299 4.650 4.350 0.002 0.000 0.295 84 T C 1.659 176.330 174.700 -0.050 0.000 1.007 84 T CA 0.251 62.319 62.100 -0.054 0.000 0.980 84 T CB -0.307 68.533 68.868 -0.048 0.000 1.036 84 T HN 0.391 nan 8.240 nan 0.000 0.526 85 E N 1.155 121.329 120.200 -0.044 0.000 2.021 85 E HA -0.242 4.109 4.350 0.002 0.000 0.200 85 E C 1.707 178.284 176.600 -0.038 0.000 1.015 85 E CA 1.981 58.357 56.400 -0.040 0.000 0.824 85 E CB -1.558 28.121 29.700 -0.035 0.000 0.762 85 E HN 0.951 nan 8.360 nan 0.000 0.454 86 D N -0.087 120.291 120.400 -0.036 0.000 2.378 86 D HA -0.144 4.497 4.640 0.002 0.000 0.222 86 D C 0.425 176.703 176.300 -0.036 0.000 0.980 86 D CA 0.755 54.735 54.000 -0.034 0.000 0.907 86 D CB -0.461 40.319 40.800 -0.033 0.000 0.899 86 D HN 0.557 nan 8.370 nan 0.000 0.527 87 R N -0.044 120.432 120.500 -0.041 0.000 3.641 87 R HA -0.160 4.181 4.340 0.002 0.000 0.286 87 R C 0.867 177.143 176.300 -0.040 0.000 1.153 87 R CA 0.839 56.913 56.100 -0.043 0.000 0.775 87 R CB -2.947 27.329 30.300 -0.041 0.000 1.215 87 R HN 0.447 nan 8.270 nan 0.000 0.474 88 S N 0.164 115.840 115.700 -0.040 0.000 2.593 88 S HA -0.040 4.431 4.470 0.002 0.000 0.217 88 S C 1.054 175.629 174.600 -0.042 0.000 0.966 88 S CA 0.381 58.558 58.200 -0.039 0.000 0.914 88 S CB 0.049 63.226 63.200 -0.038 0.000 0.776 88 S HN 0.552 nan 8.310 nan 0.000 0.523 89 N N 1.174 119.846 118.700 -0.046 0.000 2.328 89 N HA 0.208 4.950 4.740 0.002 0.000 0.247 89 N C 0.836 176.317 175.510 -0.048 0.000 1.165 89 N CA -0.377 52.644 53.050 -0.048 0.000 0.873 89 N CB -0.385 38.070 38.487 -0.053 0.000 1.125 89 N HN 0.330 nan 8.380 nan 0.000 0.513 90 L N 0.175 121.371 121.223 -0.044 0.000 2.046 90 L HA -0.120 4.221 4.340 0.002 0.000 0.208 90 L C 0.875 177.723 176.870 -0.037 0.000 1.077 90 L CA 1.346 56.161 54.840 -0.042 0.000 0.747 90 L CB -0.210 41.827 42.059 -0.037 0.000 0.896 90 L HN 0.073 nan 8.230 nan 0.000 0.432 91 D N -0.047 120.334 120.400 -0.032 0.000 2.403 91 D HA -0.103 4.539 4.640 0.002 0.000 0.227 91 D C 1.526 177.809 176.300 -0.028 0.000 0.995 91 D CA 0.818 54.802 54.000 -0.027 0.000 0.928 91 D CB 0.040 40.825 40.800 -0.025 0.000 0.887 91 D HN 0.341 nan 8.370 nan 0.000 0.529 92 R N -0.898 119.580 120.500 -0.037 0.000 2.535 92 R HA 0.213 4.555 4.340 0.002 0.000 0.323 92 R C -0.025 176.246 176.300 -0.049 0.000 0.979 92 R CA -0.239 55.838 56.100 -0.039 0.000 1.120 92 R CB 0.521 30.796 30.300 -0.042 0.000 1.306 92 R HN 0.043 nan 8.270 nan 0.000 0.540 93 C N 0.765 120.034 119.300 -0.052 0.000 2.534 93 C HA 0.759 5.221 4.460 0.002 0.000 0.385 93 C C 1.381 176.345 174.990 -0.044 0.000 1.264 93 C CA 0.255 59.231 59.018 -0.070 0.000 2.342 93 C CB 0.929 28.624 27.740 -0.075 0.000 2.564 93 C HN 0.781 nan 8.230 nan 0.000 0.603 94 G N 0.810 109.571 108.800 -0.065 0.000 2.439 94 G HA2 0.299 4.261 3.960 0.002 0.000 0.186 94 G HA3 0.299 4.261 3.960 0.002 0.000 0.186 94 G C -1.625 173.274 174.900 -0.003 0.000 1.260 94 G CA -0.460 44.680 45.100 0.067 0.000 1.020 94 G HN 0.416 nan 8.290 nan 0.000 0.470 95 F N 1.172 121.068 119.950 -0.090 0.000 2.593 95 F HA 0.784 5.312 4.527 0.002 0.000 0.320 95 F C 0.823 176.572 175.800 -0.086 0.000 1.060 95 F CA -0.751 57.177 58.000 -0.119 0.000 0.940 95 F CB 2.083 40.986 39.000 -0.162 0.000 1.268 95 F HN 0.425 nan 8.300 nan 0.000 0.475 96 R N -0.076 120.452 120.500 0.046 0.000 2.596 96 R HA 0.525 4.867 4.340 0.002 0.000 0.267 96 R C 0.950 177.268 176.300 0.030 0.000 1.026 96 R CA -0.417 55.702 56.100 0.031 0.000 1.087 96 R CB 0.632 30.899 30.300 -0.055 0.000 1.132 96 R HN 0.884 nan 8.270 nan 0.000 0.531 97 G N -0.131 108.711 108.800 0.071 0.000 2.464 97 G HA2 -0.095 3.867 3.960 0.002 0.000 0.217 97 G HA3 -0.095 3.867 3.960 0.002 0.000 0.217 97 G C 0.317 175.253 174.900 0.061 0.000 1.138 97 G CA 0.890 46.000 45.100 0.016 0.000 0.793 97 G HN 0.632 nan 8.290 nan 0.000 0.539 98 S N -1.887 113.900 115.700 0.145 0.000 2.714 98 S HA 0.358 4.830 4.470 0.002 0.000 0.280 98 S C 0.413 175.092 174.600 0.131 0.000 1.200 98 S CA 0.511 58.818 58.200 0.177 0.000 0.900 98 S CB 0.769 64.145 63.200 0.294 0.000 1.235 98 S HN 0.492 nan 8.310 nan 0.000 0.512 99 S N 0.174 115.963 115.700 0.148 0.000 2.614 99 S HA 0.123 4.594 4.470 0.002 0.000 0.230 99 S C 1.331 175.936 174.600 0.009 0.000 0.952 99 S CA 0.178 58.399 58.200 0.034 0.000 0.949 99 S CB -1.313 61.951 63.200 0.107 0.000 0.786 99 S HN 1.008 nan 8.310 nan 0.000 0.478 100 Y N 0.780 121.101 120.300 0.035 0.000 2.446 100 Y HA 0.033 4.584 4.550 0.002 0.000 0.287 100 Y C 1.445 177.356 175.900 0.019 0.000 1.159 100 Y CA 0.417 58.537 58.100 0.033 0.000 1.297 100 Y CB -0.698 37.779 38.460 0.029 0.000 0.974 100 Y HN 0.305 nan 8.280 nan 0.000 0.557 101 L N 0.404 121.234 121.223 -0.656 0.000 2.418 101 L HA 0.158 4.500 4.340 0.002 0.000 0.218 101 L C 1.734 178.520 176.870 -0.141 0.000 1.125 101 L CA 1.018 55.591 54.840 -0.445 0.000 0.835 101 L CB -0.633 41.048 42.059 -0.631 0.000 0.953 101 L HN 0.670 nan 8.230 nan 0.000 0.454 102 G N 0.896 109.641 108.800 -0.092 0.000 2.142 102 G HA2 -0.243 3.718 3.960 0.002 0.000 0.225 102 G HA3 -0.243 3.718 3.960 0.002 0.000 0.225 102 G C 0.142 175.050 174.900 0.013 0.000 1.015 102 G CA -0.339 44.762 45.100 0.001 0.000 0.716 102 G HN 0.248 nan 8.290 nan 0.000 0.508 103 I N 2.343 122.892 120.570 -0.035 0.000 2.474 103 I HA 0.230 4.401 4.170 0.002 0.000 0.287 103 I C -0.934 175.189 176.117 0.011 0.000 1.048 103 I CA -1.853 59.438 61.300 -0.014 0.000 1.383 103 I CB 0.847 38.799 38.000 -0.080 0.000 1.412 103 I HN 0.014 nan 8.210 nan 0.000 0.531 104 P HA -0.090 nan 4.420 nan 0.000 0.260 104 P C -0.396 176.954 177.300 0.084 0.000 1.185 104 P CA -0.041 63.100 63.100 0.069 0.000 0.763 104 P CB 0.180 31.910 31.700 0.051 0.000 0.776 105 F N 4.168 124.117 119.950 -0.001 0.000 2.548 105 F HA -0.085 4.444 4.527 0.002 0.000 0.403 105 F C 0.621 176.418 175.800 -0.006 0.000 1.004 105 F CA 0.825 58.827 58.000 0.004 0.000 1.177 105 F CB -0.088 38.932 39.000 0.033 0.000 0.974 105 F HN 0.456 nan 8.300 nan 0.000 0.541 106 N N 7.966 126.357 118.700 -0.515 0.000 2.664 106 N HA 0.233 4.974 4.740 0.002 0.000 0.268 106 N C -2.774 172.468 175.510 -0.447 0.000 1.222 106 N CA -1.700 51.156 53.050 -0.323 0.000 0.805 106 N CB 1.529 39.918 38.487 -0.164 0.000 1.399 106 N HN 0.191 nan 8.380 nan 0.000 0.547 107 P HA 0.044 nan 4.420 nan 0.000 0.238 107 P C -0.526 176.680 177.300 -0.156 0.000 1.649 107 P CA 0.377 63.329 63.100 -0.246 0.000 0.960 107 P CB -0.444 31.219 31.700 -0.061 0.000 1.911 108 S N -0.999 114.599 115.700 -0.171 0.000 3.521 108 S HA -0.241 4.231 4.470 0.002 0.000 0.362 108 S C 1.488 175.987 174.600 -0.168 0.000 1.044 108 S CA 1.674 59.778 58.200 -0.160 0.000 1.091 108 S CB -1.660 61.466 63.200 -0.123 0.000 0.908 108 S HN 0.714 nan 8.310 nan 0.000 0.473 109 K N 0.110 120.429 120.400 -0.135 0.000 2.190 109 K HA 0.206 4.527 4.320 0.002 0.000 0.202 109 K C 0.577 177.126 176.600 -0.085 0.000 1.045 109 K CA 1.081 57.306 56.287 -0.103 0.000 0.976 109 K CB -0.071 32.390 32.500 -0.065 0.000 0.849 109 K HN 0.548 nan 8.250 nan 0.000 0.468 110 N N 0.411 119.063 118.700 -0.080 0.000 2.502 110 N HA 0.394 5.136 4.740 0.002 0.000 0.280 110 N C -2.623 172.840 175.510 -0.078 0.000 1.223 110 N CA -1.923 51.088 53.050 -0.067 0.000 0.966 110 N CB 0.986 39.443 38.487 -0.050 0.000 1.203 110 N HN 0.152 nan 8.380 nan 0.000 0.565 111 P HA 0.102 nan 4.420 nan 0.000 0.273 111 P C 0.021 177.277 177.300 -0.074 0.000 1.250 111 P CA -0.247 62.811 63.100 -0.070 0.000 0.793 111 P CB 0.206 31.872 31.700 -0.056 0.000 1.011 112 G N 0.362 109.114 108.800 -0.079 0.000 2.378 112 G HA2 0.350 4.312 3.960 0.002 0.000 0.255 112 G HA3 0.350 4.312 3.960 0.002 0.000 0.255 112 G C 0.225 175.090 174.900 -0.059 0.000 1.270 112 G CA -0.235 44.816 45.100 -0.081 0.000 0.876 112 G HN 0.615 nan 8.290 nan 0.000 0.521 113 T N 0.443 114.966 114.554 -0.052 0.000 2.723 113 T HA 0.591 4.943 4.350 0.002 0.000 0.297 113 T C 0.737 175.431 174.700 -0.009 0.000 0.925 113 T CA -0.101 61.981 62.100 -0.029 0.000 1.030 113 T CB 1.175 70.032 68.868 -0.018 0.000 0.905 113 T HN 1.029 nan 8.240 nan 0.000 0.502 114 A N 3.362 126.174 122.820 -0.014 0.000 2.586 114 A HA 0.305 4.626 4.320 0.002 0.000 0.231 114 A C 0.375 177.985 177.584 0.044 0.000 1.055 114 A CA 0.120 52.154 52.037 -0.005 0.000 0.756 114 A CB -0.200 18.781 19.000 -0.030 0.000 0.988 114 A HN 1.102 nan 8.150 nan 0.000 0.509 115 H N 3.561 122.589 119.070 -0.071 0.000 3.154 115 H HA 0.225 4.783 4.556 0.002 0.000 0.330 115 H C -2.326 172.940 175.328 -0.104 0.000 1.033 115 H CA -0.969 55.043 56.048 -0.061 0.000 1.393 115 H CB 1.810 31.544 29.762 -0.046 0.000 1.951 115 H HN 0.440 nan 8.280 nan 0.000 0.466 116 P HA -0.152 nan 4.420 nan 0.000 0.219 116 P C 0.166 177.176 177.300 -0.483 0.000 1.144 116 P CA 1.404 64.333 63.100 -0.284 0.000 0.806 116 P CB 0.235 31.698 31.700 -0.396 0.000 0.771 117 Y N -1.389 119.130 120.300 0.365 0.000 2.675 117 Y HA 0.299 4.851 4.550 0.002 0.000 0.248 117 Y C 0.313 176.181 175.900 -0.054 0.000 1.161 117 Y CA -1.078 57.102 58.100 0.133 0.000 1.203 117 Y CB 0.063 38.609 38.460 0.143 0.000 1.262 117 Y HN -0.097 nan 8.280 nan 0.000 0.544 118 D N 1.480 121.846 120.400 -0.056 0.000 2.280 118 D HA 0.497 5.139 4.640 0.002 0.000 0.243 118 D C -0.279 175.967 176.300 -0.091 0.000 1.129 118 D CA 0.159 54.037 54.000 -0.203 0.000 0.848 118 D CB 0.739 41.346 40.800 -0.322 0.000 1.107 118 D HN 0.134 nan 8.370 nan 0.000 0.471 119 S N 1.530 117.188 115.700 -0.070 0.000 2.595 119 S HA 0.677 5.148 4.470 0.002 0.000 0.270 119 S C 0.152 174.743 174.600 -0.015 0.000 1.145 119 S CA -0.886 57.288 58.200 -0.043 0.000 0.825 119 S CB 0.697 63.887 63.200 -0.017 0.000 1.107 119 S HN 0.519 nan 8.310 nan 0.000 0.461 120 G N 0.209 109.000 108.800 -0.015 0.000 2.634 120 G HA2 0.456 4.417 3.960 0.002 0.000 0.255 120 G HA3 0.456 4.417 3.960 0.002 0.000 0.255 120 G C -0.651 174.289 174.900 0.067 0.000 1.205 120 G CA -0.234 44.885 45.100 0.030 0.000 0.884 120 G HN 0.879 nan 8.290 nan 0.000 0.549 121 H N 0.876 119.939 119.070 -0.011 0.000 2.658 121 H HA 0.218 4.775 4.556 0.002 0.000 0.337 121 H C 1.086 176.369 175.328 -0.075 0.000 1.009 121 H CA -0.702 55.313 56.048 -0.056 0.000 1.231 121 H CB 1.752 31.497 29.762 -0.027 0.000 1.508 121 H HN 0.385 nan 8.280 nan 0.000 0.517 122 I N 4.020 124.400 120.570 -0.317 0.000 2.236 122 I HA -0.336 3.835 4.170 0.002 0.000 0.249 122 I C 1.944 178.065 176.117 0.006 0.000 1.102 122 I CA 1.893 63.076 61.300 -0.195 0.000 1.365 122 I CB -0.031 37.761 38.000 -0.345 0.000 1.051 122 I HN 0.704 nan 8.210 nan 0.000 0.420 123 A N -0.125 122.807 122.820 0.187 0.000 2.014 123 A HA -0.139 4.183 4.320 0.002 0.000 0.218 123 A C 2.133 179.819 177.584 0.171 0.000 1.163 123 A CA 1.139 53.374 52.037 0.331 0.000 0.652 123 A CB -0.284 18.999 19.000 0.472 0.000 0.808 123 A HN 0.409 nan 8.150 nan 0.000 0.449 124 M N -0.572 119.126 119.600 0.163 0.000 2.236 124 M HA -0.026 4.455 4.480 0.002 0.000 0.266 124 M C 2.078 178.305 176.300 -0.121 0.000 1.070 124 M CA 1.690 56.981 55.300 -0.015 0.000 1.137 124 M CB -2.014 30.615 32.600 0.048 0.000 1.378 124 M HN 0.354 nan 8.290 nan 0.000 0.426 125 T N 0.577 115.115 114.554 -0.026 0.000 2.708 125 T HA -0.184 4.168 4.350 0.002 0.000 0.266 125 T C 1.697 176.239 174.700 -0.263 0.000 1.037 125 T CA 1.643 63.673 62.100 -0.116 0.000 1.146 125 T CB -0.575 68.311 68.868 0.029 0.000 0.865 125 T HN 0.344 nan 8.240 nan 0.000 0.435 126 Y N 3.130 123.282 120.300 -0.246 0.000 2.049 126 Y HA -0.244 4.307 4.550 0.002 0.000 0.277 126 Y C 2.726 178.401 175.900 -0.375 0.000 1.143 126 Y CA 2.042 59.972 58.100 -0.283 0.000 1.115 126 Y CB -1.359 36.965 38.460 -0.227 0.000 0.975 126 Y HN 0.321 nan 8.280 nan 0.000 0.487 127 T N -1.861 112.091 114.554 -1.003 0.000 2.881 127 T HA -0.045 4.307 4.350 0.002 0.000 0.270 127 T C 2.164 176.451 174.700 -0.689 0.000 1.068 127 T CA 1.080 62.489 62.100 -1.152 0.000 1.131 127 T CB -1.355 66.976 68.868 -0.895 0.000 0.871 127 T HN 0.469 nan 8.240 nan 0.000 0.479 128 G N 2.056 110.472 108.800 -0.640 0.000 2.464 128 G HA2 -0.040 3.922 3.960 0.002 0.000 0.214 128 G HA3 -0.040 3.922 3.960 0.002 0.000 0.214 128 G C 1.464 175.931 174.900 -0.722 0.000 1.218 128 G CA 0.735 45.376 45.100 -0.765 0.000 0.794 128 G HN 0.506 nan 8.290 nan 0.000 0.542 129 L N 0.583 121.370 121.223 -0.726 0.000 2.043 129 L HA -0.140 4.201 4.340 0.002 0.000 0.212 129 L C 3.100 179.808 176.870 -0.271 0.000 1.075 129 L CA 1.392 55.974 54.840 -0.429 0.000 0.752 129 L CB -0.582 41.313 42.059 -0.274 0.000 0.891 129 L HN 0.331 nan 8.230 nan 0.000 0.432 130 S N -0.930 114.580 115.700 -0.317 0.000 2.365 130 S HA -0.250 4.222 4.470 0.002 0.000 0.225 130 S C 2.182 176.723 174.600 -0.098 0.000 1.039 130 S CA 1.754 59.827 58.200 -0.211 0.000 1.033 130 S CB -0.346 62.559 63.200 -0.492 0.000 0.887 130 S HN 0.508 nan 8.310 nan 0.000 0.447 131 C N 0.931 120.144 119.300 -0.144 0.000 2.432 131 C HA 0.051 4.512 4.460 0.002 0.000 0.277 131 C C 2.532 177.471 174.990 -0.084 0.000 1.249 131 C CA 0.644 59.621 59.018 -0.069 0.000 1.725 131 C CB -1.562 26.129 27.740 -0.081 0.000 2.028 131 C HN 0.590 nan 8.230 nan 0.000 0.477 132 L N 0.387 121.522 121.223 -0.147 0.000 2.012 132 L HA -0.206 4.135 4.340 0.002 0.000 0.210 132 L C 2.384 179.238 176.870 -0.027 0.000 1.073 132 L CA 1.711 56.489 54.840 -0.103 0.000 0.748 132 L CB -0.574 41.382 42.059 -0.173 0.000 0.891 132 L HN 0.369 nan 8.230 nan 0.000 0.431 133 I N -0.254 120.299 120.570 -0.029 0.000 2.226 133 I HA -0.322 3.850 4.170 0.002 0.000 0.245 133 I C 2.419 178.531 176.117 -0.008 0.000 1.100 133 I CA 1.485 62.783 61.300 -0.004 0.000 1.374 133 I CB -0.254 37.740 38.000 -0.009 0.000 1.057 133 I HN 0.197 nan 8.210 nan 0.000 0.413 134 I N 0.504 121.064 120.570 -0.017 0.000 2.361 134 I HA -0.282 3.890 4.170 0.002 0.000 0.251 134 I C 2.134 178.237 176.117 -0.023 0.000 1.133 134 I CA 1.428 62.713 61.300 -0.025 0.000 1.413 134 I CB -0.223 37.747 38.000 -0.051 0.000 1.073 134 I HN 0.238 nan 8.210 nan 0.000 0.424 135 L N 0.123 121.339 121.223 -0.013 0.000 2.599 135 L HA 0.131 4.473 4.340 0.002 0.000 0.230 135 L C 1.670 178.554 176.870 0.023 0.000 1.141 135 L CA 0.690 55.533 54.840 0.005 0.000 0.877 135 L CB -0.223 41.847 42.059 0.018 0.000 1.009 135 L HN 0.518 nan 8.230 nan 0.000 0.447 136 G N -0.691 108.123 108.800 0.024 0.000 2.213 136 G HA2 -0.263 3.698 3.960 0.002 0.000 0.236 136 G HA3 -0.263 3.698 3.960 0.002 0.000 0.236 136 G C 0.266 175.203 174.900 0.061 0.000 0.991 136 G CA 0.075 45.195 45.100 0.034 0.000 0.629 136 G HN 0.376 nan 8.290 nan 0.000 0.517 137 D N 1.139 121.590 120.400 0.085 0.000 2.390 137 D HA 0.233 4.874 4.640 0.002 0.000 0.236 137 D C 1.055 177.443 176.300 0.147 0.000 1.189 137 D CA 0.874 54.957 54.000 0.139 0.000 0.887 137 D CB 0.612 41.529 40.800 0.194 0.000 1.198 137 D HN 0.347 nan 8.370 nan 0.000 0.444 138 D N 1.247 121.759 120.400 0.186 0.000 2.363 138 D HA 0.029 4.671 4.640 0.002 0.000 0.214 138 D C 1.051 177.556 176.300 0.341 0.000 1.093 138 D CA -0.317 53.824 54.000 0.234 0.000 0.837 138 D CB -0.064 40.863 40.800 0.212 0.000 0.948 138 D HN 0.269 nan 8.370 nan 0.000 0.507 139 L N 0.276 121.685 121.223 0.311 0.000 4.429 139 L HA -0.297 4.045 4.340 0.002 0.000 0.422 139 L C 1.782 178.765 176.870 0.188 0.000 1.149 139 L CA 1.028 56.054 54.840 0.309 0.000 0.972 139 L CB -2.913 39.352 42.059 0.344 0.000 2.059 139 L HN 0.314 nan 8.230 nan 0.000 0.870 140 S N -1.145 114.640 115.700 0.142 0.000 2.399 140 S HA -0.127 4.344 4.470 0.002 0.000 0.231 140 S C 1.683 176.260 174.600 -0.039 0.000 1.022 140 S CA 1.263 59.471 58.200 0.014 0.000 0.983 140 S CB -0.221 62.986 63.200 0.013 0.000 0.803 140 S HN 0.647 nan 8.310 nan 0.000 0.480 141 R N 0.804 121.271 120.500 -0.056 0.000 2.320 141 R HA 0.297 4.638 4.340 0.002 0.000 0.211 141 R C -0.564 175.780 176.300 0.074 0.000 0.931 141 R CA -0.038 55.950 56.100 -0.187 0.000 1.071 141 R CB 0.068 29.894 30.300 -0.790 0.000 1.025 141 R HN 0.264 nan 8.270 nan 0.000 0.495 142 V N 1.887 121.918 119.914 0.195 0.000 2.406 142 V HA 0.012 4.134 4.120 0.002 0.000 0.272 142 V C 0.256 176.366 176.094 0.027 0.000 1.043 142 V CA -0.654 61.767 62.300 0.201 0.000 0.915 142 V CB 1.330 33.289 31.823 0.227 0.000 0.988 142 V HN 0.103 nan 8.190 nan 0.000 0.466 143 D N 5.054 125.449 120.400 -0.007 0.000 2.545 143 D HA 0.060 4.702 4.640 0.002 0.000 0.227 143 D C 1.347 177.615 176.300 -0.053 0.000 1.150 143 D CA 0.061 54.027 54.000 -0.056 0.000 1.046 143 D CB 0.390 41.147 40.800 -0.072 0.000 1.098 143 D HN 0.525 nan 8.370 nan 0.000 0.502 144 K N 1.346 121.697 120.400 -0.082 0.000 2.059 144 K HA -0.205 4.116 4.320 0.002 0.000 0.212 144 K C 1.503 178.056 176.600 -0.077 0.000 1.050 144 K CA 1.050 57.281 56.287 -0.094 0.000 0.927 144 K CB 0.200 32.592 32.500 -0.181 0.000 0.714 144 K HN 0.335 nan 8.250 nan 0.000 0.447 145 E N 0.414 120.565 120.200 -0.082 0.000 2.110 145 E HA -0.155 4.197 4.350 0.002 0.000 0.193 145 E C 2.053 178.623 176.600 -0.050 0.000 0.988 145 E CA 1.197 57.559 56.400 -0.064 0.000 0.804 145 E CB -0.241 29.421 29.700 -0.064 0.000 0.745 145 E HN 0.356 nan 8.360 nan 0.000 0.458 146 A N 0.787 123.576 122.820 -0.052 0.000 1.877 146 A HA -0.184 4.137 4.320 0.002 0.000 0.216 146 A C 2.661 180.224 177.584 -0.035 0.000 1.186 146 A CA 1.428 53.437 52.037 -0.048 0.000 0.620 146 A CB -0.954 18.009 19.000 -0.062 0.000 0.822 146 A HN 0.343 nan 8.150 nan 0.000 0.443 147 C N -0.628 118.658 119.300 -0.024 0.000 2.413 147 C HA -0.098 4.364 4.460 0.002 0.000 0.277 147 C C 2.648 177.629 174.990 -0.014 0.000 1.228 147 C CA 1.122 60.140 59.018 -0.000 0.000 1.731 147 C CB -1.549 26.211 27.740 0.034 0.000 2.042 147 C HN 0.631 nan 8.230 nan 0.000 0.468 148 L N 0.963 122.169 121.223 -0.028 0.000 2.127 148 L HA -0.171 4.170 4.340 0.002 0.000 0.211 148 L C 2.828 179.694 176.870 -0.007 0.000 1.089 148 L CA 1.533 56.357 54.840 -0.027 0.000 0.757 148 L CB -0.784 41.252 42.059 -0.039 0.000 0.899 148 L HN 0.377 nan 8.230 nan 0.000 0.434 149 A N 0.378 123.190 122.820 -0.014 0.000 1.898 149 A HA -0.078 4.243 4.320 0.002 0.000 0.216 149 A C 2.431 180.013 177.584 -0.003 0.000 1.181 149 A CA 1.592 53.623 52.037 -0.010 0.000 0.620 149 A CB -1.144 17.843 19.000 -0.021 0.000 0.819 149 A HN 0.416 nan 8.150 nan 0.000 0.442 150 G N -0.362 108.433 108.800 -0.008 0.000 2.418 150 G HA2 -0.165 3.796 3.960 0.002 0.000 0.217 150 G HA3 -0.165 3.796 3.960 0.002 0.000 0.217 150 G C 1.592 176.502 174.900 0.016 0.000 1.158 150 G CA 0.917 46.014 45.100 -0.005 0.000 0.771 150 G HN 0.401 nan 8.290 nan 0.000 0.545 151 L N -0.108 121.130 121.223 0.025 0.000 1.970 151 L HA -0.110 4.231 4.340 0.002 0.000 0.212 151 L C 3.257 180.225 176.870 0.164 0.000 1.071 151 L CA 1.419 56.302 54.840 0.071 0.000 0.751 151 L CB -0.281 41.794 42.059 0.027 0.000 0.889 151 L HN 0.200 nan 8.230 nan 0.000 0.432 152 R N -0.543 120.023 120.500 0.111 0.000 2.119 152 R HA -0.228 4.114 4.340 0.002 0.000 0.246 152 R C 2.189 178.511 176.300 0.036 0.000 1.146 152 R CA 1.474 57.627 56.100 0.089 0.000 0.962 152 R CB -0.559 29.768 30.300 0.045 0.000 0.863 152 R HN 0.468 nan 8.270 nan 0.000 0.442 153 A N 0.894 123.729 122.820 0.025 0.000 2.019 153 A HA -0.111 4.210 4.320 0.002 0.000 0.219 153 A C 2.068 179.647 177.584 -0.009 0.000 1.164 153 A CA 1.126 53.161 52.037 -0.003 0.000 0.644 153 A CB -0.355 18.642 19.000 -0.006 0.000 0.805 153 A HN 0.207 nan 8.150 nan 0.000 0.449 154 L N -1.045 120.202 121.223 0.040 0.000 2.341 154 L HA 0.003 4.344 4.340 0.002 0.000 0.214 154 L C 1.512 178.342 176.870 -0.067 0.000 1.115 154 L CA 0.113 54.986 54.840 0.054 0.000 0.820 154 L CB -0.274 41.886 42.059 0.168 0.000 0.944 154 L HN 0.515 nan 8.230 nan 0.000 0.452 155 Q N 1.411 121.027 119.800 -0.306 0.000 2.332 155 Q HA 0.260 4.602 4.340 0.002 0.000 0.263 155 Q C -0.564 175.184 176.000 -0.421 0.000 0.979 155 Q CA -0.045 55.248 55.803 -0.850 0.000 0.885 155 Q CB 0.839 28.918 28.738 -1.098 0.000 1.218 155 Q HN 0.241 nan 8.270 nan 0.000 0.405 156 L N 2.530 123.521 121.223 -0.386 0.000 2.448 156 L HA 0.301 4.642 4.340 0.002 0.000 0.258 156 L C 1.793 178.560 176.870 -0.171 0.000 1.104 156 L CA 0.055 54.772 54.840 -0.205 0.000 0.800 156 L CB 0.443 42.414 42.059 -0.145 0.000 1.241 156 L HN 0.886 nan 8.230 nan 0.000 0.472 157 E N 0.659 120.802 120.200 -0.095 0.000 2.160 157 E HA -0.246 4.106 4.350 0.002 0.000 0.195 157 E C 1.274 177.850 176.600 -0.040 0.000 0.991 157 E CA 1.565 57.929 56.400 -0.061 0.000 0.810 157 E CB -0.808 28.873 29.700 -0.031 0.000 0.742 157 E HN 0.869 nan 8.360 nan 0.000 0.466 158 D N -2.061 118.326 120.400 -0.022 0.000 2.363 158 D HA 0.230 4.872 4.640 0.002 0.000 0.226 158 D C 1.512 177.854 176.300 0.069 0.000 1.020 158 D CA 1.184 55.218 54.000 0.058 0.000 0.892 158 D CB 0.027 40.913 40.800 0.142 0.000 0.900 158 D HN 0.825 nan 8.370 nan 0.000 0.531 159 G N -0.123 108.627 108.800 -0.083 0.000 2.254 159 G HA2 -0.289 3.672 3.960 0.002 0.000 0.225 159 G HA3 -0.289 3.672 3.960 0.002 0.000 0.225 159 G C 0.566 175.275 174.900 -0.319 0.000 1.003 159 G CA 0.394 45.423 45.100 -0.118 0.000 0.622 159 G HN 0.815 nan 8.290 nan 0.000 0.507 160 S N -0.023 115.344 115.700 -0.554 0.000 2.641 160 S HA 0.810 5.281 4.470 0.002 0.000 0.261 160 S C -0.126 174.251 174.600 -0.372 0.000 1.257 160 S CA -0.203 57.619 58.200 -0.630 0.000 0.983 160 S CB 1.200 63.725 63.200 -1.124 0.000 0.990 160 S HN 0.585 nan 8.310 nan 0.000 0.572 161 F N -1.471 118.399 119.950 -0.134 0.000 2.611 161 F HA 0.613 5.141 4.527 0.002 0.000 0.324 161 F C 0.336 176.197 175.800 0.101 0.000 1.061 161 F CA -1.062 56.931 58.000 -0.012 0.000 0.954 161 F CB 1.382 40.394 39.000 0.019 0.000 1.301 161 F HN 0.667 nan 8.300 nan 0.000 0.482 162 C N 0.274 119.697 119.300 0.205 0.000 2.423 162 C HA 0.716 5.178 4.460 0.002 0.000 0.378 162 C C 1.433 176.236 174.990 -0.311 0.000 1.244 162 C CA -0.022 59.036 59.018 0.066 0.000 1.978 162 C CB 1.381 29.122 27.740 0.002 0.000 2.252 162 C HN 0.963 nan 8.230 nan 0.000 0.526 163 A N 0.197 122.616 122.820 -0.669 0.000 1.997 163 A HA 0.395 4.717 4.320 0.002 0.000 0.212 163 A C 0.556 177.737 177.584 -0.673 0.000 1.178 163 A CA 1.053 52.398 52.037 -1.152 0.000 0.698 163 A CB -0.160 17.878 19.000 -1.603 0.000 0.842 163 A HN 1.245 nan 8.150 nan 0.000 0.458 164 V N -4.677 115.033 119.914 -0.341 0.000 2.925 164 V HA 0.498 4.619 4.120 0.002 0.000 0.311 164 V C -2.349 173.703 176.094 -0.070 0.000 1.104 164 V CA -1.707 60.500 62.300 -0.155 0.000 0.954 164 V CB 1.819 33.614 31.823 -0.047 0.000 1.022 164 V HN 0.065 nan 8.190 nan 0.000 0.427 165 P HA -0.119 nan 4.420 nan 0.000 0.219 165 P C 0.929 178.230 177.300 0.002 0.000 1.146 165 P CA 1.368 64.457 63.100 -0.018 0.000 0.808 165 P CB 0.413 32.103 31.700 -0.017 0.000 0.779 166 E N -0.245 119.970 120.200 0.024 0.000 2.409 166 E HA 0.226 4.577 4.350 0.002 0.000 0.198 166 E C 1.087 177.715 176.600 0.046 0.000 1.024 166 E CA 0.821 57.253 56.400 0.053 0.000 0.861 166 E CB -0.628 29.133 29.700 0.103 0.000 0.788 166 E HN 0.357 nan 8.360 nan 0.000 0.521 167 G N -0.420 108.396 108.800 0.026 0.000 2.640 167 G HA2 0.216 4.177 3.960 0.002 0.000 0.686 167 G HA3 0.216 4.177 3.960 0.002 0.000 0.686 167 G C -0.331 174.593 174.900 0.040 0.000 1.229 167 G CA -0.495 44.623 45.100 0.030 0.000 0.796 167 G HN 0.625 nan 8.290 nan 0.000 0.654 168 S N -0.398 115.333 115.700 0.052 0.000 2.669 168 S HA 0.721 5.192 4.470 0.002 0.000 0.266 168 S C -0.413 174.263 174.600 0.127 0.000 1.149 168 S CA 0.119 58.373 58.200 0.090 0.000 0.842 168 S CB 1.364 64.610 63.200 0.077 0.000 1.160 168 S HN 2.076 nan 8.310 nan 0.000 0.487 169 E N 1.344 121.651 120.200 0.179 0.000 2.409 169 E HA 0.290 4.641 4.350 0.002 0.000 0.257 169 E C -0.795 175.952 176.600 0.246 0.000 1.150 169 E CA -0.388 56.114 56.400 0.170 0.000 0.942 169 E CB 0.062 29.850 29.700 0.147 0.000 0.979 169 E HN 0.756 nan 8.360 nan 0.000 0.447 170 N N 0.641 119.437 118.700 0.161 0.000 2.249 170 N HA 0.393 5.134 4.740 0.002 0.000 0.296 170 N C -1.424 174.119 175.510 0.054 0.000 1.051 170 N CA -0.537 52.613 53.050 0.166 0.000 0.815 170 N CB 2.056 40.597 38.487 0.089 0.000 1.487 170 N HN 0.631 nan 8.380 nan 0.000 0.475 171 D N -0.280 120.104 120.400 -0.025 0.000 2.809 171 D HA 0.119 4.761 4.640 0.002 0.000 0.336 171 D C 0.600 176.874 176.300 -0.042 0.000 1.367 171 D CA -0.670 53.316 54.000 -0.023 0.000 0.815 171 D CB 0.421 41.178 40.800 -0.072 0.000 1.381 171 D HN 0.196 nan 8.370 nan 0.000 0.471 172 M N 0.083 119.742 119.600 0.099 0.000 2.195 172 M HA -0.011 4.470 4.480 0.002 0.000 0.260 172 M C 1.804 178.112 176.300 0.013 0.000 1.066 172 M CA 1.797 57.169 55.300 0.121 0.000 1.089 172 M CB -0.398 32.268 32.600 0.110 0.000 1.377 172 M HN 0.466 nan 8.290 nan 0.000 0.411 173 R N -1.316 119.084 120.500 -0.166 0.000 2.096 173 R HA -0.176 4.166 4.340 0.002 0.000 0.240 173 R C 2.065 178.381 176.300 0.026 0.000 1.139 173 R CA 2.105 58.102 56.100 -0.173 0.000 0.952 173 R CB -0.718 29.290 30.300 -0.487 0.000 0.854 173 R HN 0.436 nan 8.270 nan 0.000 0.436 174 F N -0.357 119.634 119.950 0.070 0.000 2.558 174 F HA -0.073 4.456 4.527 0.002 0.000 0.298 174 F C 2.211 177.937 175.800 -0.123 0.000 1.119 174 F CA -0.186 57.810 58.000 -0.007 0.000 1.451 174 F CB 0.055 39.069 39.000 0.024 0.000 1.091 174 F HN -0.159 nan 8.300 nan 0.000 0.563 175 V N -0.456 119.537 119.914 0.132 0.000 2.453 175 V HA -0.310 3.812 4.120 0.002 0.000 0.247 175 V C 2.004 178.091 176.094 -0.011 0.000 1.048 175 V CA 1.657 63.997 62.300 0.067 0.000 1.049 175 V CB -0.714 31.225 31.823 0.193 0.000 0.672 175 V HN 0.396 nan 8.190 nan 0.000 0.457 176 Y N 0.055 120.323 120.300 -0.053 0.000 2.242 176 Y HA -0.223 4.329 4.550 0.003 0.000 0.291 176 Y C 2.476 178.249 175.900 -0.212 0.000 1.137 176 Y CA 1.505 59.551 58.100 -0.089 0.000 1.181 176 Y CB -0.632 37.816 38.460 -0.020 0.000 0.989 176 Y HN 0.232 nan 8.280 nan 0.000 0.527 177 C N 0.331 119.454 119.300 -0.296 0.000 2.453 177 C HA -0.091 4.371 4.460 0.002 0.000 0.277 177 C C 3.077 177.787 174.990 -0.467 0.000 1.262 177 C CA 1.230 59.978 59.018 -0.449 0.000 1.718 177 C CB -1.685 26.008 27.740 -0.078 0.000 2.031 177 C HN 0.734 nan 8.230 nan 0.000 0.480 178 A N 0.390 122.898 122.820 -0.521 0.000 1.877 178 A HA -0.172 4.149 4.320 0.002 0.000 0.216 178 A C 2.262 179.591 177.584 -0.424 0.000 1.186 178 A CA 2.384 54.041 52.037 -0.633 0.000 0.620 178 A CB -0.864 17.296 19.000 -1.401 0.000 0.822 178 A HN 0.557 nan 8.150 nan 0.000 0.443 179 S N -0.844 114.665 115.700 -0.318 0.000 2.359 179 S HA -0.221 4.251 4.470 0.002 0.000 0.224 179 S C 1.972 176.395 174.600 -0.296 0.000 1.035 179 S CA 1.510 59.632 58.200 -0.129 0.000 1.018 179 S CB -0.771 62.451 63.200 0.037 0.000 0.876 179 S HN 0.718 nan 8.310 nan 0.000 0.448 180 C N 1.280 120.290 119.300 -0.484 0.000 2.413 180 C HA -0.022 4.439 4.460 0.002 0.000 0.276 180 C C 2.447 177.313 174.990 -0.207 0.000 1.248 180 C CA 0.331 59.105 59.018 -0.407 0.000 1.742 180 C CB -1.415 25.868 27.740 -0.762 0.000 2.017 180 C HN 0.542 nan 8.230 nan 0.000 0.481 181 I N 0.011 120.427 120.570 -0.256 0.000 2.142 181 I HA -0.241 3.930 4.170 0.002 0.000 0.240 181 I C 2.609 178.563 176.117 -0.272 0.000 1.078 181 I CA 1.524 62.713 61.300 -0.186 0.000 1.343 181 I CB -0.601 37.290 38.000 -0.182 0.000 1.046 181 I HN 0.347 nan 8.210 nan 0.000 0.405 182 C N -0.166 118.846 119.300 -0.480 0.000 2.403 182 C HA -0.244 4.217 4.460 0.002 0.000 0.277 182 C C 2.803 177.249 174.990 -0.906 0.000 1.248 182 C CA 0.899 59.427 59.018 -0.817 0.000 1.762 182 C CB -1.095 25.837 27.740 -1.346 0.000 2.014 182 C HN 0.518 nan 8.230 nan 0.000 0.486 183 Y N 0.839 120.664 120.300 -0.792 0.000 2.163 183 Y HA -0.143 4.409 4.550 0.003 0.000 0.288 183 Y C 2.493 178.363 175.900 -0.051 0.000 1.136 183 Y CA 1.714 59.628 58.100 -0.309 0.000 1.147 183 Y CB -0.378 38.061 38.460 -0.034 0.000 0.987 183 Y HN 0.218 nan 8.280 nan 0.000 0.509 184 M N -0.455 119.230 119.600 0.142 0.000 2.117 184 M HA -0.206 4.275 4.480 0.002 0.000 0.262 184 M C 1.765 178.217 176.300 0.253 0.000 1.065 184 M CA 1.524 56.951 55.300 0.210 0.000 1.114 184 M CB -0.362 32.324 32.600 0.143 0.000 1.361 184 M HN 0.264 nan 8.290 nan 0.000 0.408 185 L N 0.155 121.418 121.223 0.068 0.000 2.599 185 L HA -0.008 4.333 4.340 0.002 0.000 0.230 185 L C 0.481 177.351 176.870 0.001 0.000 1.141 185 L CA -0.144 54.757 54.840 0.101 0.000 0.877 185 L CB -0.907 41.126 42.059 -0.044 0.000 1.009 185 L HN 0.450 nan 8.230 nan 0.000 0.447 186 N N 1.962 120.521 118.700 -0.235 0.000 2.716 186 N HA -0.265 4.476 4.740 0.002 0.000 0.250 186 N C -0.476 174.901 175.510 -0.222 0.000 1.033 186 N CA 0.480 53.265 53.050 -0.441 0.000 0.727 186 N CB -0.962 36.955 38.487 -0.949 0.000 0.950 186 N HN 0.469 nan 8.380 nan 0.000 0.541 187 N N -0.118 118.414 118.700 -0.279 0.000 2.572 187 N HA 0.171 4.912 4.740 0.002 0.000 0.287 187 N C -0.740 174.616 175.510 -0.256 0.000 1.136 187 N CA -0.515 52.444 53.050 -0.151 0.000 0.900 187 N CB 0.073 38.501 38.487 -0.099 0.000 1.484 187 N HN 0.261 nan 8.380 nan 0.000 0.526 188 W N 2.039 123.342 121.300 0.005 0.000 3.400 188 W HA 0.154 4.815 4.660 0.002 0.000 0.347 188 W C 1.842 178.378 176.519 0.029 0.000 1.218 188 W CA -0.160 57.200 57.345 0.025 0.000 1.837 188 W CB 0.100 29.579 29.460 0.033 0.000 1.067 188 W HN 0.641 nan 8.180 nan 0.000 0.701 189 S N -1.409 114.370 115.700 0.130 0.000 2.561 189 S HA 0.011 4.482 4.470 0.002 0.000 0.225 189 S C 1.974 176.623 174.600 0.081 0.000 0.977 189 S CA 0.806 59.065 58.200 0.099 0.000 0.926 189 S CB -0.397 62.834 63.200 0.051 0.000 0.769 189 S HN 0.263 nan 8.310 nan 0.000 0.533 190 G N 1.470 110.303 108.800 0.056 0.000 2.559 190 G HA2 0.261 4.222 3.960 0.002 0.000 0.216 190 G HA3 0.261 4.222 3.960 0.002 0.000 0.216 190 G C 0.419 175.414 174.900 0.157 0.000 1.126 190 G CA 0.708 45.838 45.100 0.051 0.000 0.778 190 G HN 0.753 nan 8.290 nan 0.000 0.543 191 M N -2.487 117.244 119.600 0.219 0.000 2.721 191 M HA 0.492 4.974 4.480 0.002 0.000 0.271 191 M C -2.065 174.365 176.300 0.217 0.000 1.259 191 M CA -1.026 54.458 55.300 0.306 0.000 0.835 191 M CB 2.060 34.966 32.600 0.510 0.000 1.689 191 M HN -0.190 nan 8.290 nan 0.000 0.470 192 D N 1.951 122.440 120.400 0.150 0.000 2.524 192 D HA 0.246 4.887 4.640 0.002 0.000 0.222 192 D C 0.712 177.076 176.300 0.107 0.000 1.142 192 D CA -0.186 53.867 54.000 0.087 0.000 0.973 192 D CB 0.772 41.583 40.800 0.018 0.000 1.025 192 D HN 0.847 nan 8.370 nan 0.000 0.519 193 M N 2.911 122.592 119.600 0.134 0.000 2.143 193 M HA -0.247 4.235 4.480 0.002 0.000 0.258 193 M C 1.843 178.168 176.300 0.041 0.000 1.071 193 M CA 1.581 56.941 55.300 0.100 0.000 1.088 193 M CB 0.140 32.757 32.600 0.027 0.000 1.360 193 M HN 0.226 nan 8.290 nan 0.000 0.404 194 K N 0.164 120.577 120.400 0.022 0.000 2.026 194 K HA -0.207 4.115 4.320 0.002 0.000 0.208 194 K C 1.841 178.450 176.600 0.015 0.000 1.048 194 K CA 1.722 58.010 56.287 0.002 0.000 0.929 194 K CB -0.043 32.456 32.500 -0.003 0.000 0.713 194 K HN 0.372 nan 8.250 nan 0.000 0.439 195 K N -0.110 120.305 120.400 0.025 0.000 2.097 195 K HA -0.075 4.246 4.320 0.002 0.000 0.205 195 K C 2.122 178.765 176.600 0.071 0.000 1.050 195 K CA 1.005 57.310 56.287 0.029 0.000 0.938 195 K CB -0.071 32.426 32.500 -0.005 0.000 0.718 195 K HN 0.205 nan 8.250 nan 0.000 0.442 196 A N 1.618 124.495 122.820 0.095 0.000 1.877 196 A HA -0.159 4.163 4.320 0.002 0.000 0.216 196 A C 2.088 179.766 177.584 0.156 0.000 1.186 196 A CA 1.303 53.442 52.037 0.170 0.000 0.620 196 A CB -0.604 18.544 19.000 0.247 0.000 0.822 196 A HN 0.170 nan 8.150 nan 0.000 0.443 197 I N -0.365 120.250 120.570 0.074 0.000 2.264 197 I HA -0.238 3.934 4.170 0.002 0.000 0.248 197 I C 2.855 178.970 176.117 -0.002 0.000 1.111 197 I CA 1.536 62.838 61.300 0.003 0.000 1.382 197 I CB -0.314 37.650 38.000 -0.061 0.000 1.060 197 I HN 0.470 nan 8.210 nan 0.000 0.418 198 S N 0.367 116.083 115.700 0.027 0.000 2.359 198 S HA -0.286 4.186 4.470 0.002 0.000 0.224 198 S C 2.197 176.831 174.600 0.056 0.000 1.035 198 S CA 1.446 59.659 58.200 0.022 0.000 1.018 198 S CB -0.501 62.719 63.200 0.034 0.000 0.876 198 S HN 0.494 nan 8.310 nan 0.000 0.448 199 Y N 1.882 122.183 120.300 0.000 0.000 2.114 199 Y HA -0.075 4.476 4.550 0.002 0.000 0.284 199 Y C 2.030 177.943 175.900 0.022 0.000 1.143 199 Y CA 1.973 60.083 58.100 0.016 0.000 1.135 199 Y CB -0.457 38.026 38.460 0.038 0.000 0.980 199 Y HN 0.299 nan 8.280 nan 0.000 0.499 200 I N -0.172 120.489 120.570 0.152 0.000 2.194 200 I HA -0.374 3.797 4.170 0.002 0.000 0.246 200 I C 2.592 178.726 176.117 0.027 0.000 1.093 200 I CA 1.587 62.938 61.300 0.085 0.000 1.355 200 I CB -0.483 37.576 38.000 0.100 0.000 1.046 200 I HN 0.227 nan 8.210 nan 0.000 0.413 201 R N 0.653 121.139 120.500 -0.024 0.000 2.062 201 R HA -0.102 4.239 4.340 0.002 0.000 0.231 201 R C 2.392 178.694 176.300 0.003 0.000 1.136 201 R CA 1.259 57.367 56.100 0.015 0.000 0.948 201 R CB -0.269 29.987 30.300 -0.073 0.000 0.845 201 R HN 0.308 nan 8.270 nan 0.000 0.430 202 R N 0.430 120.880 120.500 -0.083 0.000 2.303 202 R HA -0.077 4.265 4.340 0.002 0.000 0.225 202 R C 2.059 178.251 176.300 -0.180 0.000 1.114 202 R CA 1.436 57.462 56.100 -0.123 0.000 1.007 202 R CB -0.090 30.119 30.300 -0.151 0.000 0.861 202 R HN 0.250 nan 8.270 nan 0.000 0.471 203 S N -0.461 115.107 115.700 -0.220 0.000 2.575 203 S HA 0.036 4.507 4.470 0.002 0.000 0.215 203 S C 0.840 175.344 174.600 -0.160 0.000 0.966 203 S CA -0.346 57.715 58.200 -0.232 0.000 0.911 203 S CB 0.049 63.082 63.200 -0.278 0.000 0.780 203 S HN 0.182 nan 8.310 nan 0.000 0.514 204 M N 2.943 122.480 119.600 -0.104 0.000 2.238 204 M HA 0.244 4.726 4.480 0.002 0.000 0.350 204 M C 0.336 176.540 176.300 -0.160 0.000 1.321 204 M CA -0.004 55.209 55.300 -0.146 0.000 1.097 204 M CB 0.872 33.422 32.600 -0.084 0.000 1.713 204 M HN 0.325 nan 8.290 nan 0.000 0.455 205 S N 3.139 118.686 115.700 -0.255 0.000 2.681 205 S HA 0.203 4.675 4.470 0.002 0.000 0.270 205 S C 0.692 175.160 174.600 -0.220 0.000 1.209 205 S CA -0.501 57.544 58.200 -0.258 0.000 0.988 205 S CB 0.521 63.461 63.200 -0.432 0.000 1.006 205 S HN 0.726 nan 8.310 nan 0.000 0.558 206 Y N 0.729 120.992 120.300 -0.062 0.000 2.421 206 Y HA 0.074 4.626 4.550 0.002 0.000 0.292 206 Y C 1.489 177.379 175.900 -0.017 0.000 1.136 206 Y CA 1.272 59.352 58.100 -0.033 0.000 1.255 206 Y CB -0.701 37.750 38.460 -0.016 0.000 0.991 206 Y HN 0.626 nan 8.280 nan 0.000 0.552 207 D N -0.945 119.062 120.400 -0.656 0.000 2.328 207 D HA -0.048 4.593 4.640 0.002 0.000 0.221 207 D C 0.117 176.336 176.300 -0.134 0.000 1.072 207 D CA 0.438 54.266 54.000 -0.287 0.000 0.850 207 D CB -0.677 39.934 40.800 -0.316 0.000 0.922 207 D HN 0.452 nan 8.370 nan 0.000 0.516 208 N N -1.008 117.540 118.700 -0.254 0.000 2.965 208 N HA -0.099 4.642 4.740 0.002 0.000 0.232 208 N C 0.676 175.891 175.510 -0.490 0.000 0.913 208 N CA 1.175 54.069 53.050 -0.260 0.000 0.981 208 N CB -1.632 36.800 38.487 -0.092 0.000 1.077 208 N HN 0.490 nan 8.380 nan 0.000 0.589 209 G N -0.107 108.114 108.800 -0.965 0.000 2.557 209 G HA2 0.619 4.581 3.960 0.002 0.000 0.292 209 G HA3 0.619 4.581 3.960 0.002 0.000 0.292 209 G C -0.309 174.083 174.900 -0.847 0.000 1.237 209 G CA -0.379 43.806 45.100 -1.526 0.000 0.978 209 G HN 0.032 nan 8.290 nan 0.000 0.498 210 L N 0.264 121.063 121.223 -0.706 0.000 2.317 210 L HA 0.701 5.042 4.340 0.002 0.000 0.281 210 L C 0.743 177.431 176.870 -0.303 0.000 1.024 210 L CA -0.552 54.062 54.840 -0.376 0.000 0.810 210 L CB 1.267 43.193 42.059 -0.220 0.000 1.240 210 L HN 0.719 nan 8.230 nan 0.000 0.427 211 A N 1.948 124.638 122.820 -0.215 0.000 2.284 211 A HA 0.522 4.844 4.320 0.002 0.000 0.317 211 A C 0.741 178.265 177.584 -0.099 0.000 1.120 211 A CA -0.342 51.610 52.037 -0.142 0.000 0.900 211 A CB 0.646 19.570 19.000 -0.128 0.000 1.319 211 A HN 0.682 nan 8.150 nan 0.000 0.494 212 Q N -0.635 119.117 119.800 -0.080 0.000 2.291 212 Q HA 0.090 4.431 4.340 0.002 0.000 0.206 212 Q C 0.733 176.758 176.000 0.041 0.000 0.976 212 Q CA 1.379 57.158 55.803 -0.041 0.000 0.875 212 Q CB -0.054 28.638 28.738 -0.078 0.000 0.927 212 Q HN 0.918 nan 8.270 nan 0.000 0.450 213 G N -1.462 107.310 108.800 -0.047 0.000 2.523 213 G HA2 0.500 4.461 3.960 0.002 0.000 0.291 213 G HA3 0.500 4.461 3.960 0.002 0.000 0.291 213 G C -1.540 173.257 174.900 -0.172 0.000 1.450 213 G CA -0.416 44.609 45.100 -0.124 0.000 0.790 213 G HN 0.137 nan 8.290 nan 0.000 0.496 214 A N -0.725 121.956 122.820 -0.231 0.000 2.584 214 A HA 0.507 4.829 4.320 0.002 0.000 0.239 214 A C 1.813 179.357 177.584 -0.068 0.000 1.043 214 A CA 1.924 53.873 52.037 -0.147 0.000 0.756 214 A CB -0.389 18.534 19.000 -0.127 0.000 0.963 214 A HN 2.870 nan 8.150 nan 0.000 0.511 215 G N 0.973 109.745 108.800 -0.046 0.000 2.304 215 G HA2 -0.205 3.756 3.960 0.002 0.000 0.252 215 G HA3 -0.205 3.756 3.960 0.002 0.000 0.252 215 G C 0.250 175.153 174.900 0.005 0.000 1.014 215 G CA 0.380 45.477 45.100 -0.005 0.000 0.619 215 G HN 0.774 nan 8.290 nan 0.000 0.525 216 L N 1.308 122.519 121.223 -0.020 0.000 2.476 216 L HA 0.437 4.778 4.340 0.002 0.000 0.255 216 L C 1.096 177.954 176.870 -0.020 0.000 1.218 216 L CA -0.342 54.490 54.840 -0.013 0.000 0.819 216 L CB 0.411 42.454 42.059 -0.027 0.000 1.119 216 L HN 0.510 nan 8.230 nan 0.000 0.485 217 E N 0.439 120.639 120.200 -0.000 0.000 2.366 217 E HA 0.094 4.446 4.350 0.002 0.000 0.266 217 E C -0.193 176.386 176.600 -0.036 0.000 1.015 217 E CA -0.415 55.985 56.400 0.001 0.000 0.906 217 E CB 0.690 30.417 29.700 0.045 0.000 0.979 217 E HN 0.631 nan 8.360 nan 0.000 0.443 218 S N 4.497 120.119 115.700 -0.130 0.000 2.563 218 S HA -0.004 4.468 4.470 0.002 0.000 0.284 218 S C -0.185 174.392 174.600 -0.037 0.000 1.331 218 S CA -0.347 57.696 58.200 -0.262 0.000 1.047 218 S CB 0.812 63.628 63.200 -0.640 0.000 0.859 218 S HN 0.695 nan 8.310 nan 0.000 0.514 219 H N 0.515 119.465 119.070 -0.200 0.000 3.038 219 H HA 0.346 4.903 4.556 0.002 0.000 0.362 219 H C 1.084 176.476 175.328 0.106 0.000 1.167 219 H CA 0.022 56.089 56.048 0.032 0.000 1.197 219 H CB 1.456 31.202 29.762 -0.027 0.000 1.840 219 H HN 0.724 nan 8.280 nan 0.000 0.540 220 G N 1.847 110.677 108.800 0.050 0.000 2.442 220 G HA2 -0.252 3.709 3.960 0.002 0.000 0.219 220 G HA3 -0.252 3.709 3.960 0.002 0.000 0.219 220 G C 1.431 176.510 174.900 0.298 0.000 1.141 220 G CA 0.898 46.161 45.100 0.272 0.000 0.763 220 G HN 0.654 nan 8.290 nan 0.000 0.554 221 G N 0.941 109.980 108.800 0.398 0.000 2.414 221 G HA2 -0.154 3.807 3.960 0.002 0.000 0.215 221 G HA3 -0.154 3.807 3.960 0.002 0.000 0.215 221 G C 2.234 177.099 174.900 -0.059 0.000 1.188 221 G CA 1.829 46.862 45.100 -0.111 0.000 0.783 221 G HN 0.648 nan 8.290 nan 0.000 0.537 222 S N 0.133 115.854 115.700 0.035 0.000 2.402 222 S HA -0.098 4.374 4.470 0.002 0.000 0.229 222 S C 2.228 176.819 174.600 -0.014 0.000 1.021 222 S CA 1.887 60.066 58.200 -0.035 0.000 0.974 222 S CB -0.700 62.461 63.200 -0.065 0.000 0.800 222 S HN 0.270 nan 8.310 nan 0.000 0.484 223 T N 2.069 116.625 114.554 0.003 0.000 2.708 223 T HA -0.010 4.341 4.350 0.002 0.000 0.266 223 T C 1.280 175.996 174.700 0.027 0.000 1.037 223 T CA 1.452 63.531 62.100 -0.035 0.000 1.146 223 T CB -0.582 68.255 68.868 -0.052 0.000 0.865 223 T HN 0.500 nan 8.240 nan 0.000 0.435 224 F N 1.575 121.514 119.950 -0.018 0.000 2.069 224 F HA -0.186 4.343 4.527 0.002 0.000 0.298 224 F C 2.457 178.204 175.800 -0.088 0.000 1.113 224 F CA 0.846 58.828 58.000 -0.031 0.000 1.214 224 F CB -0.911 38.115 39.000 0.042 0.000 0.978 224 F HN 0.156 nan 8.300 nan 0.000 0.474 225 C N 1.093 120.292 119.300 -0.169 0.000 2.398 225 C HA -0.146 4.316 4.460 0.002 0.000 0.276 225 C C 3.107 178.022 174.990 -0.124 0.000 1.222 225 C CA 1.337 60.205 59.018 -0.249 0.000 1.746 225 C CB -2.000 25.722 27.740 -0.030 0.000 2.039 225 C HN 0.764 nan 8.230 nan 0.000 0.470 226 G N 0.564 109.333 108.800 -0.053 0.000 2.433 226 G HA2 -0.126 3.836 3.960 0.002 0.000 0.216 226 G HA3 -0.126 3.836 3.960 0.002 0.000 0.216 226 G C 1.369 176.277 174.900 0.013 0.000 1.186 226 G CA 0.829 45.945 45.100 0.027 0.000 0.779 226 G HN 0.354 nan 8.290 nan 0.000 0.543 227 I N 2.081 122.626 120.570 -0.042 0.000 2.142 227 I HA -0.139 4.032 4.170 0.002 0.000 0.240 227 I C 3.313 179.371 176.117 -0.097 0.000 1.078 227 I CA 1.233 62.519 61.300 -0.024 0.000 1.343 227 I CB -1.452 36.524 38.000 -0.041 0.000 1.046 227 I HN 0.262 nan 8.210 nan 0.000 0.405 228 A N 0.243 122.876 122.820 -0.311 0.000 1.940 228 A HA -0.198 4.124 4.320 0.002 0.000 0.219 228 A C 2.602 180.177 177.584 -0.014 0.000 1.176 228 A CA 2.203 54.071 52.037 -0.282 0.000 0.631 228 A CB -0.791 17.727 19.000 -0.803 0.000 0.814 228 A HN 0.435 nan 8.150 nan 0.000 0.446 229 S N -0.210 115.520 115.700 0.051 0.000 2.356 229 S HA -0.095 4.377 4.470 0.002 0.000 0.223 229 S C 1.831 176.480 174.600 0.082 0.000 1.032 229 S CA 1.456 59.732 58.200 0.127 0.000 1.005 229 S CB -0.453 62.836 63.200 0.148 0.000 0.867 229 S HN 0.528 nan 8.310 nan 0.000 0.449 230 L N 0.641 121.888 121.223 0.040 0.000 2.046 230 L HA -0.172 4.169 4.340 0.002 0.000 0.208 230 L C 2.589 179.461 176.870 0.003 0.000 1.077 230 L CA 0.911 55.752 54.840 0.002 0.000 0.747 230 L CB -0.767 41.297 42.059 0.007 0.000 0.896 230 L HN 0.423 nan 8.230 nan 0.000 0.432 231 C N -0.536 118.778 119.300 0.024 0.000 2.429 231 C HA -0.146 4.316 4.460 0.002 0.000 0.277 231 C C 2.654 177.679 174.990 0.059 0.000 1.262 231 C CA 0.183 59.223 59.018 0.037 0.000 1.733 231 C CB -0.734 27.027 27.740 0.036 0.000 2.010 231 C HN 0.396 nan 8.230 nan 0.000 0.483 232 L N 0.262 121.524 121.223 0.066 0.000 2.131 232 L HA -0.055 4.287 4.340 0.002 0.000 0.210 232 L C 2.274 179.311 176.870 0.279 0.000 1.092 232 L CA 1.790 56.698 54.840 0.114 0.000 0.759 232 L CB -0.623 41.502 42.059 0.109 0.000 0.903 232 L HN 0.378 nan 8.230 nan 0.000 0.435 233 M N -1.624 117.974 119.600 -0.005 0.000 2.556 233 M HA 0.238 4.720 4.480 0.002 0.000 0.245 233 M C 1.177 177.335 176.300 -0.236 0.000 1.128 233 M CA 0.623 55.657 55.300 -0.444 0.000 1.069 233 M CB -0.101 32.188 32.600 -0.518 0.000 1.469 233 M HN 0.285 nan 8.290 nan 0.000 0.494 234 G N 2.409 111.176 108.800 -0.054 0.000 2.314 234 G HA2 -0.267 3.695 3.960 0.002 0.000 0.292 234 G HA3 -0.267 3.695 3.960 0.002 0.000 0.292 234 G C 0.234 175.098 174.900 -0.060 0.000 1.059 234 G CA 0.352 45.440 45.100 -0.020 0.000 0.982 234 G HN 0.571 nan 8.290 nan 0.000 0.505 235 K N -0.737 119.621 120.400 -0.069 0.000 2.644 235 K HA 0.338 4.659 4.320 0.002 0.000 0.198 235 K C 1.992 178.557 176.600 -0.058 0.000 1.113 235 K CA -0.521 55.719 56.287 -0.079 0.000 1.073 235 K CB 0.352 32.776 32.500 -0.126 0.000 0.811 235 K HN 0.317 nan 8.250 nan 0.000 0.508 236 L N 1.330 122.546 121.223 -0.011 0.000 1.956 236 L HA -0.252 4.090 4.340 0.002 0.000 0.216 236 L C 1.865 178.764 176.870 0.048 0.000 1.073 236 L CA 1.991 56.855 54.840 0.039 0.000 0.762 236 L CB 0.009 42.111 42.059 0.072 0.000 0.889 236 L HN 0.285 nan 8.230 nan 0.000 0.433 237 E N -0.251 119.974 120.200 0.042 0.000 2.160 237 E HA -0.291 4.061 4.350 0.002 0.000 0.195 237 E C 1.992 178.602 176.600 0.016 0.000 0.991 237 E CA 1.465 57.891 56.400 0.044 0.000 0.810 237 E CB 0.013 29.733 29.700 0.033 0.000 0.742 237 E HN 0.449 nan 8.360 nan 0.000 0.466 238 E N -0.695 119.492 120.200 -0.021 0.000 2.158 238 E HA -0.107 4.244 4.350 0.002 0.000 0.191 238 E C 1.615 178.163 176.600 -0.088 0.000 0.982 238 E CA 0.863 57.236 56.400 -0.046 0.000 0.823 238 E CB 0.326 29.991 29.700 -0.059 0.000 0.766 238 E HN 0.140 nan 8.360 nan 0.000 0.468 239 V N 0.267 120.088 119.914 -0.155 0.000 2.599 239 V HA 0.032 4.153 4.120 0.002 0.000 0.245 239 V C 0.668 176.530 176.094 -0.387 0.000 1.046 239 V CA 0.881 62.983 62.300 -0.331 0.000 1.065 239 V CB -0.096 31.407 31.823 -0.534 0.000 0.703 239 V HN 0.094 nan 8.190 nan 0.000 0.464 240 F N 0.621 120.564 119.950 -0.012 0.000 2.469 240 F HA 0.479 5.008 4.527 0.003 0.000 0.332 240 F C 0.900 176.698 175.800 -0.004 0.000 1.103 240 F CA -0.757 57.237 58.000 -0.011 0.000 0.979 240 F CB 1.588 40.581 39.000 -0.012 0.000 1.137 240 F HN -0.010 nan 8.300 nan 0.000 0.463 241 S N 1.150 116.976 115.700 0.211 0.000 2.608 241 S HA 0.043 4.514 4.470 0.002 0.000 0.261 241 S C 1.113 175.772 174.600 0.098 0.000 1.314 241 S CA -0.419 57.849 58.200 0.113 0.000 0.992 241 S CB 1.163 64.413 63.200 0.083 0.000 0.935 241 S HN 0.877 nan 8.310 nan 0.000 0.564 242 E N 0.772 121.011 120.200 0.064 0.000 2.110 242 E HA -0.224 4.128 4.350 0.002 0.000 0.193 242 E C 1.972 178.594 176.600 0.037 0.000 0.988 242 E CA 1.337 57.768 56.400 0.050 0.000 0.804 242 E CB -0.185 29.538 29.700 0.038 0.000 0.745 242 E HN 0.777 nan 8.360 nan 0.000 0.458 243 K N 0.543 120.963 120.400 0.034 0.000 2.026 243 K HA -0.197 4.124 4.320 0.002 0.000 0.208 243 K C 1.976 178.582 176.600 0.009 0.000 1.048 243 K CA 1.739 58.039 56.287 0.022 0.000 0.929 243 K CB 0.022 32.536 32.500 0.023 0.000 0.713 243 K HN 0.124 nan 8.250 nan 0.000 0.439 244 E N 0.599 120.810 120.200 0.018 0.000 2.051 244 E HA -0.181 4.170 4.350 0.002 0.000 0.192 244 E C 2.085 178.619 176.600 -0.110 0.000 0.991 244 E CA 1.350 57.729 56.400 -0.036 0.000 0.799 244 E CB -0.087 29.641 29.700 0.047 0.000 0.748 244 E HN 0.289 nan 8.360 nan 0.000 0.449 245 L N 1.310 122.509 121.223 -0.042 0.000 2.131 245 L HA -0.196 4.146 4.340 0.002 0.000 0.210 245 L C 2.047 178.902 176.870 -0.025 0.000 1.092 245 L CA 0.609 55.422 54.840 -0.046 0.000 0.759 245 L CB -0.373 41.709 42.059 0.039 0.000 0.903 245 L HN 0.167 nan 8.230 nan 0.000 0.435 246 N N 0.161 118.858 118.700 -0.006 0.000 2.216 246 N HA -0.116 4.625 4.740 0.002 0.000 0.183 246 N C 1.920 177.432 175.510 0.005 0.000 1.017 246 N CA 1.047 54.102 53.050 0.008 0.000 0.861 246 N CB -0.103 38.390 38.487 0.010 0.000 0.986 246 N HN 0.353 nan 8.380 nan 0.000 0.428 247 R N 0.500 120.990 120.500 -0.016 0.000 2.092 247 R HA 0.112 4.454 4.340 0.002 0.000 0.231 247 R C 2.240 178.544 176.300 0.007 0.000 1.119 247 R CA 0.686 56.782 56.100 -0.007 0.000 0.970 247 R CB -0.201 30.080 30.300 -0.032 0.000 0.864 247 R HN 0.216 nan 8.270 nan 0.000 0.440 248 I N 1.066 121.597 120.570 -0.065 0.000 2.252 248 I HA -0.273 3.898 4.170 0.002 0.000 0.245 248 I C 2.062 178.229 176.117 0.084 0.000 1.102 248 I CA 1.418 62.682 61.300 -0.059 0.000 1.385 248 I CB -0.191 37.675 38.000 -0.223 0.000 1.064 248 I HN 0.123 nan 8.210 nan 0.000 0.414 249 K N 0.402 120.839 120.400 0.060 0.000 2.057 249 K HA -0.229 4.092 4.320 0.002 0.000 0.207 249 K C 2.248 178.917 176.600 0.116 0.000 1.049 249 K CA 1.356 57.703 56.287 0.100 0.000 0.931 249 K CB -0.215 32.333 32.500 0.081 0.000 0.714 249 K HN 0.053 nan 8.250 nan 0.000 0.440 250 R N 0.559 121.114 120.500 0.092 0.000 2.091 250 R HA -0.190 4.152 4.340 0.002 0.000 0.238 250 R C 1.849 178.206 176.300 0.096 0.000 1.136 250 R CA 1.686 57.830 56.100 0.073 0.000 0.959 250 R CB -0.791 29.542 30.300 0.055 0.000 0.856 250 R HN 0.393 nan 8.270 nan 0.000 0.437 251 W N -0.185 121.101 121.300 -0.024 0.000 2.358 251 W HA -0.229 4.433 4.660 0.002 0.000 0.303 251 W C 1.974 178.499 176.519 0.011 0.000 1.208 251 W CA 1.717 59.046 57.345 -0.026 0.000 1.274 251 W CB -0.481 28.940 29.460 -0.065 0.000 1.138 251 W HN 0.166 nan 8.180 nan 0.000 0.515 252 C N -0.446 119.031 119.300 0.296 0.000 2.462 252 C HA -0.177 4.284 4.460 0.002 0.000 0.278 252 C C 2.587 177.623 174.990 0.077 0.000 1.253 252 C CA 0.966 60.110 59.018 0.211 0.000 1.713 252 C CB -1.574 26.336 27.740 0.284 0.000 2.049 252 C HN 0.418 nan 8.230 nan 0.000 0.477 253 I N 0.744 121.372 120.570 0.096 0.000 2.530 253 I HA -0.174 3.997 4.170 0.002 0.000 0.257 253 I C 2.096 178.190 176.117 -0.039 0.000 1.179 253 I CA 1.586 62.935 61.300 0.082 0.000 1.440 253 I CB -0.195 37.852 38.000 0.079 0.000 1.087 253 I HN 0.239 nan 8.210 nan 0.000 0.440 254 M N -0.512 119.011 119.600 -0.128 0.000 2.619 254 M HA 0.008 4.490 4.480 0.002 0.000 0.251 254 M C 1.653 177.776 176.300 -0.295 0.000 1.106 254 M CA 0.757 55.930 55.300 -0.210 0.000 1.086 254 M CB -0.854 31.604 32.600 -0.237 0.000 1.465 254 M HN 0.155 nan 8.290 nan 0.000 0.506 255 R N 0.208 120.537 120.500 -0.286 0.000 2.236 255 R HA 0.065 4.406 4.340 0.002 0.000 0.208 255 R C 0.842 176.805 176.300 -0.562 0.000 1.036 255 R CA 0.181 56.089 56.100 -0.321 0.000 1.001 255 R CB -0.473 29.793 30.300 -0.058 0.000 0.896 255 R HN 0.528 nan 8.270 nan 0.000 0.464 256 Q N 1.124 120.586 119.800 -0.564 0.000 2.288 256 Q HA 0.001 4.342 4.340 0.002 0.000 0.258 256 Q C 0.179 175.812 176.000 -0.612 0.000 0.957 256 Q CA 0.028 55.287 55.803 -0.907 0.000 0.919 256 Q CB 0.877 29.065 28.738 -0.916 0.000 1.185 256 Q HN 0.003 nan 8.270 nan 0.000 0.408 257 Q N 2.493 121.935 119.800 -0.597 0.000 2.431 257 Q HA 0.107 4.449 4.340 0.002 0.000 0.244 257 Q C 0.201 176.020 176.000 -0.302 0.000 0.880 257 Q CA 1.294 56.852 55.803 -0.408 0.000 0.954 257 Q CB 0.652 29.147 28.738 -0.405 0.000 1.105 257 Q HN 0.863 nan 8.270 nan 0.000 0.558 258 N N -1.255 117.243 118.700 -0.337 0.000 2.532 258 N HA 0.020 4.761 4.740 0.002 0.000 0.324 258 N C 0.781 176.164 175.510 -0.212 0.000 0.609 258 N CA 0.366 53.300 53.050 -0.192 0.000 1.102 258 N CB -0.302 38.128 38.487 -0.096 0.000 2.059 258 N HN 0.091 nan 8.380 nan 0.000 1.570 259 G N -0.968 107.637 108.800 -0.325 0.000 2.641 259 G HA2 0.577 4.538 3.960 0.002 0.000 0.239 259 G HA3 0.577 4.538 3.960 0.002 0.000 0.239 259 G C -1.463 173.243 174.900 -0.323 0.000 1.402 259 G CA -0.282 44.676 45.100 -0.236 0.000 1.046 259 G HN 0.132 nan 8.290 nan 0.000 0.565 260 Y N -0.580 119.647 120.300 -0.121 0.000 2.446 260 Y HA 0.433 4.985 4.550 0.003 0.000 0.345 260 Y C 0.612 176.518 175.900 0.009 0.000 0.984 260 Y CA -0.870 57.187 58.100 -0.073 0.000 1.058 260 Y CB 1.745 40.247 38.460 0.071 0.000 1.220 260 Y HN 0.718 nan 8.280 nan 0.000 0.455 261 H N -1.361 117.686 119.070 -0.039 0.000 2.615 261 H HA 0.627 5.185 4.556 0.002 0.000 0.346 261 H C 0.405 175.400 175.328 -0.554 0.000 1.200 261 H CA -0.884 55.034 56.048 -0.216 0.000 1.264 261 H CB 2.019 31.662 29.762 -0.199 0.000 1.699 261 H HN 0.820 nan 8.280 nan 0.000 0.567 262 G N 0.201 108.451 108.800 -0.918 0.000 2.838 262 G HA2 0.132 4.094 3.960 0.002 0.000 0.210 262 G HA3 0.132 4.094 3.960 0.002 0.000 0.210 262 G C 0.353 174.832 174.900 -0.702 0.000 1.153 262 G CA -0.252 44.102 45.100 -1.244 0.000 0.778 262 G HN 0.552 nan 8.290 nan 0.000 0.539 263 R N -0.675 119.414 120.500 -0.685 0.000 2.680 263 R HA 0.318 4.659 4.340 0.002 0.000 0.269 263 R C -3.142 172.638 176.300 -0.866 0.000 1.026 263 R CA -1.836 53.968 56.100 -0.493 0.000 0.889 263 R CB 1.833 31.987 30.300 -0.243 0.000 1.241 263 R HN -0.144 nan 8.270 nan 0.000 0.463 264 P HA -0.064 nan 4.420 nan 0.000 0.265 264 P C -0.551 176.568 177.300 -0.301 0.000 1.187 264 P CA 0.324 63.200 63.100 -0.373 0.000 0.766 264 P CB 0.334 31.950 31.700 -0.140 0.000 0.820 265 N N -1.260 117.349 118.700 -0.153 0.000 2.714 265 N HA -0.214 4.527 4.740 0.002 0.000 0.250 265 N C -0.158 175.290 175.510 -0.102 0.000 1.117 265 N CA 1.273 54.277 53.050 -0.077 0.000 0.719 265 N CB -1.048 37.409 38.487 -0.051 0.000 1.081 265 N HN 0.419 nan 8.380 nan 0.000 0.557 266 K N 1.000 121.281 120.400 -0.198 0.000 2.259 266 K HA 0.477 4.798 4.320 0.002 0.000 0.252 266 K C -2.378 174.236 176.600 0.023 0.000 0.936 266 K CA -1.815 54.398 56.287 -0.123 0.000 0.810 266 K CB 1.735 34.092 32.500 -0.239 0.000 1.143 266 K HN -0.193 nan 8.250 nan 0.000 0.427 267 P HA -0.029 nan 4.420 nan 0.000 0.269 267 P C -0.181 177.220 177.300 0.168 0.000 1.209 267 P CA -0.449 62.685 63.100 0.057 0.000 0.776 267 P CB 0.626 32.300 31.700 -0.042 0.000 0.876 268 V N -0.636 119.320 119.914 0.070 0.000 3.096 268 V HA 0.360 4.481 4.120 0.002 0.000 0.306 268 V C 0.040 176.346 176.094 0.355 0.000 1.088 268 V CA 0.032 62.368 62.300 0.061 0.000 1.129 268 V CB 0.504 32.113 31.823 -0.358 0.000 1.014 268 V HN 0.621 nan 8.190 nan 0.000 0.486 269 D N 1.574 122.238 120.400 0.440 0.000 2.936 269 D HA 0.318 4.960 4.640 0.002 0.000 0.238 269 D C 0.799 177.426 176.300 0.545 0.000 1.248 269 D CA -0.046 54.302 54.000 0.580 0.000 0.903 269 D CB 2.261 43.455 40.800 0.656 0.000 1.544 269 D HN 0.660 nan 8.370 nan 0.000 0.543 270 T N 1.880 116.781 114.554 0.579 0.000 2.649 270 T HA -0.227 4.124 4.350 0.002 0.000 0.268 270 T C 2.029 176.853 174.700 0.207 0.000 1.036 270 T CA 2.314 64.684 62.100 0.450 0.000 1.157 270 T CB -0.581 68.479 68.868 0.320 0.000 0.861 270 T HN 0.786 nan 8.240 nan 0.000 0.445 271 C N 0.355 119.731 119.300 0.127 0.000 2.409 271 C HA -0.063 4.399 4.460 0.002 0.000 0.284 271 C C 2.189 176.911 174.990 -0.446 0.000 1.354 271 C CA -0.147 58.685 59.018 -0.309 0.000 1.787 271 C CB -2.125 25.277 27.740 -0.564 0.000 1.900 271 C HN 0.510 nan 8.230 nan 0.000 0.520 272 Y N 1.901 122.284 120.300 0.139 0.000 2.571 272 Y HA 0.020 4.572 4.550 0.002 0.000 0.294 272 Y C 2.787 178.646 175.900 -0.068 0.000 1.141 272 Y CA 1.313 59.509 58.100 0.160 0.000 1.308 272 Y CB -0.555 38.051 38.460 0.243 0.000 1.002 272 Y HN 0.350 nan 8.280 nan 0.000 0.551 273 S N -0.528 115.172 115.700 -0.001 0.000 2.447 273 S HA -0.136 4.336 4.470 0.002 0.000 0.233 273 S C 1.602 176.000 174.600 -0.337 0.000 1.006 273 S CA 0.976 59.070 58.200 -0.178 0.000 0.957 273 S CB -0.324 62.879 63.200 0.005 0.000 0.773 273 S HN 0.555 nan 8.310 nan 0.000 0.507 274 F N 0.098 119.765 119.950 -0.472 0.000 2.315 274 F HA 0.220 4.748 4.527 0.002 0.000 0.284 274 F C 1.560 177.038 175.800 -0.537 0.000 1.049 274 F CA -0.022 57.635 58.000 -0.572 0.000 1.323 274 F CB -0.686 37.919 39.000 -0.658 0.000 1.113 274 F HN 0.150 nan 8.300 nan 0.000 0.544 275 W N 0.574 121.484 121.300 -0.649 0.000 2.301 275 W HA -0.255 4.406 4.660 0.002 0.000 0.325 275 W C 2.344 178.646 176.519 -0.361 0.000 1.250 275 W CA 1.678 58.629 57.345 -0.658 0.000 1.261 275 W CB -0.947 28.307 29.460 -0.344 0.000 1.157 275 W HN -0.149 nan 8.180 nan 0.000 0.473 276 V N 0.228 120.161 119.914 0.032 0.000 2.407 276 V HA -0.094 4.027 4.120 0.002 0.000 0.245 276 V C 2.382 178.343 176.094 -0.222 0.000 1.041 276 V CA 1.920 64.223 62.300 0.005 0.000 1.040 276 V CB -1.583 30.289 31.823 0.081 0.000 0.671 276 V HN 0.385 nan 8.190 nan 0.000 0.455 277 G N 0.140 108.618 108.800 -0.537 0.000 2.446 277 G HA2 -0.264 3.697 3.960 0.002 0.000 0.217 277 G HA3 -0.264 3.697 3.960 0.002 0.000 0.217 277 G C 1.753 176.263 174.900 -0.650 0.000 1.168 277 G CA 1.189 45.902 45.100 -0.644 0.000 0.771 277 G HN 0.601 nan 8.290 nan 0.000 0.551 278 A N 0.100 122.514 122.820 -0.676 0.000 1.972 278 A HA 0.013 4.334 4.320 0.002 0.000 0.219 278 A C 2.532 180.023 177.584 -0.155 0.000 1.169 278 A CA 2.411 54.137 52.037 -0.517 0.000 0.635 278 A CB -0.755 17.686 19.000 -0.932 0.000 0.810 278 A HN 0.325 nan 8.150 nan 0.000 0.446 279 T N 0.420 114.950 114.554 -0.040 0.000 2.737 279 T HA -0.043 4.309 4.350 0.002 0.000 0.265 279 T C 1.816 176.546 174.700 0.050 0.000 1.038 279 T CA 1.323 63.458 62.100 0.059 0.000 1.144 279 T CB -0.372 68.576 68.868 0.134 0.000 0.866 279 T HN 0.357 nan 8.240 nan 0.000 0.434 280 L N 0.680 121.941 121.223 0.063 0.000 2.079 280 L HA -0.137 4.205 4.340 0.002 0.000 0.210 280 L C 2.646 179.606 176.870 0.150 0.000 1.081 280 L CA 1.245 56.183 54.840 0.163 0.000 0.752 280 L CB -0.419 41.830 42.059 0.318 0.000 0.896 280 L HN 0.187 nan 8.230 nan 0.000 0.433 281 K N 0.831 121.252 120.400 0.036 0.000 2.026 281 K HA -0.149 4.172 4.320 0.002 0.000 0.208 281 K C 1.969 178.588 176.600 0.032 0.000 1.048 281 K CA 1.498 57.800 56.287 0.026 0.000 0.929 281 K CB -0.369 32.044 32.500 -0.145 0.000 0.713 281 K HN 0.151 nan 8.250 nan 0.000 0.439 282 L N 0.417 121.648 121.223 0.013 0.000 2.187 282 L HA -0.122 4.220 4.340 0.002 0.000 0.213 282 L C 1.746 178.645 176.870 0.048 0.000 1.100 282 L CA 0.887 55.742 54.840 0.025 0.000 0.765 282 L CB -0.277 41.791 42.059 0.014 0.000 0.904 282 L HN 0.199 nan 8.230 nan 0.000 0.437 283 L N -0.502 120.761 121.223 0.068 0.000 2.629 283 L HA 0.036 4.378 4.340 0.002 0.000 0.230 283 L C 0.554 177.485 176.870 0.101 0.000 1.151 283 L CA 0.009 54.899 54.840 0.083 0.000 0.924 283 L CB -0.243 41.871 42.059 0.092 0.000 1.137 283 L HN 0.186 nan 8.230 nan 0.000 0.457 284 K N 0.661 121.117 120.400 0.094 0.000 3.071 284 K HA -0.203 4.118 4.320 0.002 0.000 0.265 284 K C 0.632 177.299 176.600 0.112 0.000 1.060 284 K CA 1.048 57.389 56.287 0.090 0.000 0.767 284 K CB -1.510 31.036 32.500 0.077 0.000 1.241 284 K HN 0.638 nan 8.250 nan 0.000 0.486 285 I N -4.706 115.959 120.570 0.158 0.000 4.219 285 I HA 0.178 4.349 4.170 0.002 0.000 0.329 285 I C 1.199 177.426 176.117 0.183 0.000 1.427 285 I CA -0.667 60.759 61.300 0.210 0.000 1.151 285 I CB 0.117 38.323 38.000 0.343 0.000 1.369 285 I HN -0.004 nan 8.210 nan 0.000 0.521 286 F N 3.440 123.418 119.950 0.046 0.000 2.269 286 F HA -0.179 4.349 4.527 0.002 0.000 0.301 286 F C 2.485 178.378 175.800 0.154 0.000 1.082 286 F CA 2.374 60.435 58.000 0.101 0.000 1.360 286 F CB -0.090 38.944 39.000 0.058 0.000 1.041 286 F HN 0.370 nan 8.300 nan 0.000 0.512 287 Q N -1.333 118.402 119.800 -0.108 0.000 2.297 287 Q HA -0.251 4.091 4.340 0.002 0.000 0.208 287 Q C 1.236 176.952 176.000 -0.473 0.000 0.981 287 Q CA 2.020 57.610 55.803 -0.354 0.000 0.876 287 Q CB -1.087 27.339 28.738 -0.520 0.000 0.921 287 Q HN 0.608 nan 8.270 nan 0.000 0.446 288 Y N 2.187 122.436 120.300 -0.085 0.000 2.466 288 Y HA 0.114 4.666 4.550 0.002 0.000 0.272 288 Y C 1.083 176.925 175.900 -0.097 0.000 1.169 288 Y CA -0.046 57.997 58.100 -0.094 0.000 1.285 288 Y CB 0.370 38.806 38.460 -0.040 0.000 1.078 288 Y HN 0.143 nan 8.280 nan 0.000 0.523 289 T N -1.698 112.844 114.554 -0.020 0.000 2.816 289 T HA 0.054 4.406 4.350 0.002 0.000 0.282 289 T C 0.086 174.794 174.700 0.013 0.000 0.993 289 T CA -0.977 61.123 62.100 -0.000 0.000 0.994 289 T CB 1.157 70.002 68.868 -0.038 0.000 1.025 289 T HN 0.104 nan 8.240 nan 0.000 0.529 290 N N 0.796 119.521 118.700 0.043 0.000 2.415 290 N HA 0.133 4.875 4.740 0.002 0.000 0.246 290 N C 0.322 175.958 175.510 0.210 0.000 1.078 290 N CA -0.460 52.626 53.050 0.059 0.000 0.942 290 N CB -0.178 38.309 38.487 0.000 0.000 1.140 290 N HN 0.717 nan 8.380 nan 0.000 0.501 291 F N 1.477 121.370 119.950 -0.095 0.000 2.113 291 F HA -0.127 4.401 4.527 0.002 0.000 0.297 291 F C 2.342 178.146 175.800 0.007 0.000 1.103 291 F CA 0.547 58.516 58.000 -0.051 0.000 1.248 291 F CB 0.206 39.170 39.000 -0.060 0.000 0.999 291 F HN 0.568 nan 8.300 nan 0.000 0.475 292 E N 1.423 121.748 120.200 0.208 0.000 2.058 292 E HA -0.260 4.091 4.350 0.002 0.000 0.194 292 E C 1.926 178.588 176.600 0.103 0.000 0.997 292 E CA 1.579 58.055 56.400 0.127 0.000 0.801 292 E CB -0.103 29.647 29.700 0.083 0.000 0.746 292 E HN 0.394 nan 8.360 nan 0.000 0.450 293 K N 0.262 120.713 120.400 0.084 0.000 2.097 293 K HA -0.154 4.168 4.320 0.002 0.000 0.206 293 K C 2.121 178.788 176.600 0.112 0.000 1.049 293 K CA 1.301 57.631 56.287 0.072 0.000 0.933 293 K CB -0.238 32.273 32.500 0.018 0.000 0.717 293 K HN 0.095 nan 8.250 nan 0.000 0.442 294 N N 1.749 120.523 118.700 0.124 0.000 2.080 294 N HA -0.178 4.564 4.740 0.002 0.000 0.189 294 N C 1.770 177.391 175.510 0.186 0.000 1.036 294 N CA 1.350 54.515 53.050 0.192 0.000 0.846 294 N CB -0.045 38.598 38.487 0.260 0.000 1.015 294 N HN 0.065 nan 8.380 nan 0.000 0.423 295 R N 0.077 120.647 120.500 0.117 0.000 2.091 295 R HA -0.071 4.270 4.340 0.002 0.000 0.238 295 R C 1.528 177.888 176.300 0.100 0.000 1.136 295 R CA 1.613 57.758 56.100 0.076 0.000 0.959 295 R CB -0.261 30.073 30.300 0.057 0.000 0.856 295 R HN 0.280 nan 8.270 nan 0.000 0.437 296 N N -0.141 118.627 118.700 0.114 0.000 2.104 296 N HA -0.225 4.517 4.740 0.002 0.000 0.190 296 N C 1.465 177.041 175.510 0.110 0.000 1.024 296 N CA 1.419 54.532 53.050 0.105 0.000 0.853 296 N CB -0.583 37.964 38.487 0.100 0.000 1.008 296 N HN 0.323 nan 8.380 nan 0.000 0.424 297 Y N 1.684 122.031 120.300 0.078 0.000 2.114 297 Y HA -0.064 4.488 4.550 0.002 0.000 0.284 297 Y C 2.250 178.225 175.900 0.126 0.000 1.143 297 Y CA 1.322 59.480 58.100 0.096 0.000 1.135 297 Y CB -0.527 37.987 38.460 0.091 0.000 0.980 297 Y HN -0.036 nan 8.280 nan 0.000 0.499 298 I N -0.012 120.585 120.570 0.045 0.000 2.145 298 I HA -0.393 3.779 4.170 0.002 0.000 0.244 298 I C 2.364 178.513 176.117 0.054 0.000 1.075 298 I CA 1.736 63.021 61.300 -0.025 0.000 1.332 298 I CB -0.601 37.367 38.000 -0.052 0.000 1.033 298 I HN 0.304 nan 8.210 nan 0.000 0.410 299 L N 0.435 121.725 121.223 0.112 0.000 2.141 299 L HA -0.162 4.179 4.340 0.002 0.000 0.209 299 L C 2.743 179.666 176.870 0.088 0.000 1.094 299 L CA 1.499 56.468 54.840 0.214 0.000 0.763 299 L CB -0.666 41.496 42.059 0.171 0.000 0.908 299 L HN 0.385 nan 8.230 nan 0.000 0.437 300 S N -1.295 114.381 115.700 -0.040 0.000 2.500 300 S HA -0.151 4.321 4.470 0.002 0.000 0.239 300 S C 1.708 176.255 174.600 -0.088 0.000 0.989 300 S CA 1.317 59.470 58.200 -0.078 0.000 0.951 300 S CB -0.722 62.405 63.200 -0.122 0.000 0.759 300 S HN 0.582 nan 8.310 nan 0.000 0.523 301 T N -1.802 112.705 114.554 -0.079 0.000 3.092 301 T HA 0.244 4.595 4.350 0.002 0.000 0.258 301 T C 0.312 175.047 174.700 0.058 0.000 1.031 301 T CA -0.546 61.554 62.100 0.000 0.000 0.925 301 T CB -0.223 68.646 68.868 0.002 0.000 1.036 301 T HN 0.507 nan 8.240 nan 0.000 0.544 302 Q N 1.566 121.365 119.800 -0.001 0.000 2.314 302 Q HA 0.121 4.462 4.340 0.002 0.000 0.258 302 Q C -0.911 174.937 176.000 -0.253 0.000 0.954 302 Q CA -0.397 55.186 55.803 -0.365 0.000 0.890 302 Q CB 0.609 29.166 28.738 -0.301 0.000 1.210 302 Q HN 0.244 nan 8.270 nan 0.000 0.410 303 D N 3.880 124.092 120.400 -0.313 0.000 2.411 303 D HA 0.094 4.735 4.640 0.002 0.000 0.225 303 D C 0.342 176.513 176.300 -0.214 0.000 1.156 303 D CA -0.045 53.844 54.000 -0.186 0.000 0.874 303 D CB 0.586 41.303 40.800 -0.138 0.000 1.034 303 D HN 0.610 nan 8.370 nan 0.000 0.502 304 R N 2.496 122.896 120.500 -0.167 0.000 2.285 304 R HA -0.054 4.287 4.340 0.002 0.000 0.213 304 R C 1.554 177.764 176.300 -0.151 0.000 1.068 304 R CA 0.237 56.233 56.100 -0.174 0.000 1.004 304 R CB 0.427 30.656 30.300 -0.118 0.000 0.873 304 R HN 0.434 nan 8.270 nan 0.000 0.467 305 L N 0.238 121.393 121.223 -0.114 0.000 2.265 305 L HA 0.016 4.357 4.340 0.002 0.000 0.195 305 L C 2.014 178.834 176.870 -0.082 0.000 1.083 305 L CA 1.393 56.181 54.840 -0.087 0.000 0.798 305 L CB -0.386 41.639 42.059 -0.057 0.000 0.989 305 L HN 0.091 nan 8.230 nan 0.000 0.472 306 V N -1.186 118.695 119.914 -0.055 0.000 3.590 306 V HA 0.462 4.583 4.120 0.002 0.000 0.265 306 V C 0.863 177.007 176.094 0.084 0.000 1.239 306 V CA 0.652 62.959 62.300 0.012 0.000 1.117 306 V CB -0.250 31.608 31.823 0.059 0.000 0.818 306 V HN 0.633 nan 8.190 nan 0.000 0.451 307 G N -0.696 108.045 108.800 -0.099 0.000 2.710 307 G HA2 0.394 4.355 3.960 0.002 0.000 0.668 307 G HA3 0.394 4.355 3.960 0.002 0.000 0.668 307 G C 0.596 175.159 174.900 -0.562 0.000 1.320 307 G CA -0.287 44.661 45.100 -0.253 0.000 0.860 307 G HN 2.420 nan 8.290 nan 0.000 0.538 308 G N -1.982 106.379 108.800 -0.731 0.000 2.796 308 G HA2 0.352 4.314 3.960 0.002 0.000 0.226 308 G HA3 0.352 4.314 3.960 0.002 0.000 0.226 308 G C -0.345 173.987 174.900 -0.946 0.000 1.381 308 G CA 0.414 44.664 45.100 -1.418 0.000 0.867 308 G HN 1.851 nan 8.290 nan 0.000 0.552 309 F N -0.211 119.453 119.950 -0.476 0.000 2.620 309 F HA 0.835 5.364 4.527 0.002 0.000 0.320 309 F C 0.790 176.533 175.800 -0.095 0.000 1.069 309 F CA -0.027 57.850 58.000 -0.205 0.000 0.953 309 F CB 2.024 40.931 39.000 -0.154 0.000 1.322 309 F HN 1.022 nan 8.300 nan 0.000 0.479 310 A N 0.803 123.698 122.820 0.124 0.000 2.346 310 A HA 0.556 4.878 4.320 0.002 0.000 0.313 310 A C 0.742 178.229 177.584 -0.163 0.000 1.140 310 A CA -0.601 51.417 52.037 -0.032 0.000 0.826 310 A CB 1.391 20.384 19.000 -0.011 0.000 1.332 310 A HN 0.895 nan 8.150 nan 0.000 0.457 311 K N -0.780 119.247 120.400 -0.621 0.000 2.097 311 K HA -0.024 4.298 4.320 0.002 0.000 0.205 311 K C -0.386 176.179 176.600 -0.058 0.000 1.050 311 K CA 0.741 56.679 56.287 -0.582 0.000 0.938 311 K CB -0.017 31.863 32.500 -1.034 0.000 0.718 311 K HN 0.572 nan 8.250 nan 0.000 0.442 312 W N 1.690 123.021 121.300 0.051 0.000 2.882 312 W HA 0.411 5.072 4.660 0.002 0.000 0.345 312 W C -2.596 173.943 176.519 0.033 0.000 1.125 312 W CA -3.227 54.192 57.345 0.125 0.000 1.167 312 W CB 0.281 29.809 29.460 0.113 0.000 1.431 312 W HN -0.173 nan 8.180 nan 0.000 0.543 313 P HA -0.031 nan 4.420 nan 0.000 0.272 313 P C -0.255 177.123 177.300 0.131 0.000 1.223 313 P CA 0.458 63.622 63.100 0.107 0.000 0.784 313 P CB 0.699 32.431 31.700 0.053 0.000 0.923 314 D N -1.667 118.784 120.400 0.086 0.000 2.737 314 D HA -0.137 4.504 4.640 0.002 0.000 0.238 314 D C -0.192 176.169 176.300 0.103 0.000 1.157 314 D CA 1.239 55.290 54.000 0.085 0.000 0.694 314 D CB -1.624 39.217 40.800 0.068 0.000 1.021 314 D HN 0.401 nan 8.370 nan 0.000 0.420 315 S N -1.054 114.710 115.700 0.107 0.000 2.570 315 S HA 0.392 4.864 4.470 0.002 0.000 0.270 315 S C -0.818 173.858 174.600 0.127 0.000 1.149 315 S CA -0.730 57.509 58.200 0.065 0.000 0.837 315 S CB 1.179 64.445 63.200 0.110 0.000 1.124 315 S HN 0.256 nan 8.310 nan 0.000 0.465 316 H N 2.683 121.783 119.070 0.049 0.000 2.764 316 H HA 0.307 4.864 4.556 0.002 0.000 0.341 316 H C -1.875 173.487 175.328 0.056 0.000 1.072 316 H CA -1.517 54.568 56.048 0.060 0.000 1.444 316 H CB 0.618 30.433 29.762 0.088 0.000 1.458 316 H HN 0.445 nan 8.280 nan 0.000 0.572 317 P HA 0.056 nan 4.420 nan 0.000 0.274 317 P C -0.911 176.553 177.300 0.273 0.000 1.256 317 P CA -0.263 62.916 63.100 0.132 0.000 0.795 317 P CB 1.269 32.963 31.700 -0.009 0.000 1.038 318 D N -2.517 118.058 120.400 0.293 0.000 2.622 318 D HA 0.395 5.036 4.640 0.002 0.000 0.255 318 D C 0.688 177.228 176.300 0.401 0.000 1.246 318 D CA -0.833 53.408 54.000 0.401 0.000 0.795 318 D CB 0.213 41.218 40.800 0.342 0.000 1.369 318 D HN 0.185 nan 8.370 nan 0.000 0.425 319 A N 0.410 123.483 122.820 0.423 0.000 1.917 319 A HA -0.141 4.181 4.320 0.002 0.000 0.219 319 A C 2.035 179.694 177.584 0.125 0.000 1.182 319 A CA 1.810 54.111 52.037 0.441 0.000 0.633 319 A CB -0.977 18.301 19.000 0.463 0.000 0.819 319 A HN 0.638 nan 8.150 nan 0.000 0.448 320 L N -1.523 119.655 121.223 -0.076 0.000 1.994 320 L HA -0.201 4.140 4.340 0.002 0.000 0.208 320 L C 2.500 179.148 176.870 -0.370 0.000 1.071 320 L CA 2.285 56.741 54.840 -0.640 0.000 0.745 320 L CB -0.406 41.482 42.059 -0.285 0.000 0.892 320 L HN 0.542 nan 8.230 nan 0.000 0.431 321 H N -0.568 118.488 119.070 -0.023 0.000 2.457 321 H HA -0.001 4.557 4.556 0.002 0.000 0.294 321 H C 2.143 177.452 175.328 -0.032 0.000 1.064 321 H CA 1.096 57.143 56.048 -0.002 0.000 1.330 321 H CB -0.174 29.608 29.762 0.033 0.000 1.395 321 H HN 0.530 nan 8.280 nan 0.000 0.541 322 A N 0.378 123.240 122.820 0.069 0.000 1.855 322 A HA -0.231 4.091 4.320 0.002 0.000 0.215 322 A C 2.096 179.730 177.584 0.082 0.000 1.191 322 A CA 1.616 53.675 52.037 0.038 0.000 0.613 322 A CB -0.987 17.822 19.000 -0.318 0.000 0.829 322 A HN 0.512 nan 8.150 nan 0.000 0.442 323 Y N -0.456 119.802 120.300 -0.070 0.000 2.089 323 Y HA -0.199 4.352 4.550 0.002 0.000 0.282 323 Y C 2.007 177.566 175.900 -0.569 0.000 1.139 323 Y CA 1.766 59.683 58.100 -0.305 0.000 1.123 323 Y CB -0.759 37.306 38.460 -0.658 0.000 0.980 323 Y HN 0.279 nan 8.280 nan 0.000 0.493 324 F N -0.100 119.452 119.950 -0.663 0.000 2.216 324 F HA -0.074 4.454 4.527 0.002 0.000 0.300 324 F C 2.578 177.982 175.800 -0.661 0.000 1.085 324 F CA 0.972 58.458 58.000 -0.857 0.000 1.326 324 F CB -0.753 37.762 39.000 -0.809 0.000 1.027 324 F HN 0.176 nan 8.300 nan 0.000 0.497 325 G N 0.279 108.823 108.800 -0.427 0.000 2.402 325 G HA2 -0.200 3.762 3.960 0.002 0.000 0.216 325 G HA3 -0.200 3.762 3.960 0.002 0.000 0.216 325 G C 1.693 176.130 174.900 -0.772 0.000 1.162 325 G CA 0.752 45.451 45.100 -0.668 0.000 0.777 325 G HN 0.332 nan 8.290 nan 0.000 0.539 326 I N 0.281 120.460 120.570 -0.651 0.000 2.252 326 I HA -0.170 4.001 4.170 0.002 0.000 0.245 326 I C 2.708 178.542 176.117 -0.472 0.000 1.102 326 I CA 0.569 61.591 61.300 -0.463 0.000 1.385 326 I CB -0.182 37.728 38.000 -0.149 0.000 1.064 326 I HN 0.177 nan 8.210 nan 0.000 0.414 327 C N 0.836 119.767 119.300 -0.615 0.000 2.422 327 C HA -0.094 4.368 4.460 0.002 0.000 0.279 327 C C 2.900 177.702 174.990 -0.314 0.000 1.305 327 C CA 0.964 59.651 59.018 -0.552 0.000 1.757 327 C CB -1.747 25.417 27.740 -0.960 0.000 1.962 327 C HN 0.677 nan 8.230 nan 0.000 0.499 328 G N 0.244 108.854 108.800 -0.317 0.000 2.404 328 G HA2 -0.143 3.818 3.960 0.002 0.000 0.215 328 G HA3 -0.143 3.818 3.960 0.002 0.000 0.215 328 G C 1.404 176.147 174.900 -0.262 0.000 1.174 328 G CA 0.556 45.509 45.100 -0.246 0.000 0.780 328 G HN 0.347 nan 8.290 nan 0.000 0.537 329 L N 1.279 122.311 121.223 -0.318 0.000 2.046 329 L HA -0.031 4.310 4.340 0.002 0.000 0.208 329 L C 3.095 179.804 176.870 -0.268 0.000 1.077 329 L CA 1.915 56.570 54.840 -0.308 0.000 0.747 329 L CB -1.014 40.782 42.059 -0.439 0.000 0.896 329 L HN 0.336 nan 8.230 nan 0.000 0.432 330 S N -0.837 114.701 115.700 -0.270 0.000 2.370 330 S HA -0.196 4.275 4.470 0.002 0.000 0.226 330 S C 2.046 176.552 174.600 -0.156 0.000 1.033 330 S CA 1.054 59.134 58.200 -0.198 0.000 1.011 330 S CB -0.253 62.831 63.200 -0.192 0.000 0.852 330 S HN 0.258 nan 8.310 nan 0.000 0.457 331 L N 1.104 122.203 121.223 -0.206 0.000 2.189 331 L HA 0.082 4.424 4.340 0.002 0.000 0.214 331 L C 2.074 178.895 176.870 -0.082 0.000 1.097 331 L CA 1.741 56.429 54.840 -0.253 0.000 0.764 331 L CB -0.855 40.833 42.059 -0.619 0.000 0.900 331 L HN 0.498 nan 8.230 nan 0.000 0.436 332 M N -1.369 118.149 119.600 -0.136 0.000 2.419 332 M HA 0.102 4.583 4.480 0.002 0.000 0.252 332 M C -0.263 176.039 176.300 0.004 0.000 1.143 332 M CA -0.020 55.154 55.300 -0.209 0.000 0.985 332 M CB 0.102 32.344 32.600 -0.597 0.000 1.489 332 M HN 0.062 nan 8.290 nan 0.000 0.484 333 E N 1.812 122.004 120.200 -0.012 0.000 2.291 333 E HA -0.193 4.158 4.350 0.002 0.000 0.181 333 E C -0.144 176.445 176.600 -0.019 0.000 1.480 333 E CA 0.242 56.643 56.400 0.001 0.000 0.674 333 E CB -0.837 28.899 29.700 0.059 0.000 1.108 333 E HN 0.407 nan 8.360 nan 0.000 0.357 334 E N 0.547 120.693 120.200 -0.089 0.000 2.343 334 E HA 0.236 4.588 4.350 0.002 0.000 0.269 334 E C -0.661 175.893 176.600 -0.077 0.000 1.047 334 E CA -0.307 56.022 56.400 -0.119 0.000 0.874 334 E CB 0.963 30.494 29.700 -0.281 0.000 1.033 334 E HN 0.142 nan 8.360 nan 0.000 0.409 335 S N 2.445 118.130 115.700 -0.026 0.000 2.510 335 S HA 0.453 4.924 4.470 0.002 0.000 0.279 335 S C 0.815 175.454 174.600 0.064 0.000 1.284 335 S CA 0.400 58.616 58.200 0.026 0.000 1.059 335 S CB 0.656 63.889 63.200 0.055 0.000 0.901 335 S HN 0.862 nan 8.310 nan 0.000 0.491 336 G N 2.825 111.667 108.800 0.070 0.000 2.176 336 G HA2 -0.201 3.761 3.960 0.002 0.000 0.232 336 G HA3 -0.201 3.761 3.960 0.002 0.000 0.232 336 G C -0.046 174.924 174.900 0.117 0.000 0.986 336 G CA -0.341 44.833 45.100 0.124 0.000 0.643 336 G HN 0.634 nan 8.290 nan 0.000 0.522 337 I N 1.309 121.895 120.570 0.026 0.000 2.406 337 I HA 0.359 4.530 4.170 0.002 0.000 0.290 337 I C 0.988 177.091 176.117 -0.024 0.000 0.999 337 I CA -1.186 60.106 61.300 -0.014 0.000 1.124 337 I CB 1.588 39.497 38.000 -0.151 0.000 1.289 337 I HN 0.100 nan 8.210 nan 0.000 0.441 338 C N 4.353 123.647 119.300 -0.009 0.000 2.727 338 C HA 0.077 4.538 4.460 0.002 0.000 0.401 338 C C 0.980 175.955 174.990 -0.024 0.000 1.294 338 C CA -0.468 58.545 59.018 -0.007 0.000 2.134 338 C CB -0.105 27.636 27.740 0.002 0.000 2.724 338 C HN 0.699 nan 8.230 nan 0.000 0.677 339 K N 0.948 121.344 120.400 -0.007 0.000 2.350 339 K HA 0.377 4.699 4.320 0.002 0.000 0.279 339 K C -0.382 176.223 176.600 0.009 0.000 1.027 339 K CA -0.143 56.140 56.287 -0.006 0.000 0.969 339 K CB 0.566 33.071 32.500 0.009 0.000 0.954 339 K HN 0.561 nan 8.250 nan 0.000 0.474 340 V N 4.340 124.257 119.914 0.006 0.000 2.713 340 V HA 0.155 4.276 4.120 0.002 0.000 0.307 340 V C -0.653 175.520 176.094 0.131 0.000 1.052 340 V CA -0.641 61.692 62.300 0.056 0.000 0.967 340 V CB 1.471 33.300 31.823 0.010 0.000 1.019 340 V HN 0.848 nan 8.190 nan 0.000 0.459 341 H N 7.142 126.272 119.070 0.099 0.000 2.820 341 H HA 0.398 4.955 4.556 0.002 0.000 0.278 341 H C -2.081 173.368 175.328 0.202 0.000 1.142 341 H CA -1.994 54.128 56.048 0.124 0.000 1.346 341 H CB 1.519 31.355 29.762 0.123 0.000 1.438 341 H HN 0.474 nan 8.280 nan 0.000 0.473 342 P HA -0.234 nan 4.420 nan 0.000 0.219 342 P C 1.065 178.684 177.300 0.532 0.000 1.158 342 P CA 2.591 65.892 63.100 0.335 0.000 0.895 342 P CB 0.240 31.997 31.700 0.094 0.000 0.792 343 A N -2.074 121.055 122.820 0.516 0.000 1.975 343 A HA -0.018 4.303 4.320 0.002 0.000 0.215 343 A C 2.011 179.854 177.584 0.433 0.000 1.170 343 A CA 0.903 53.185 52.037 0.409 0.000 0.656 343 A CB -1.150 17.996 19.000 0.243 0.000 0.821 343 A HN 0.147 nan 8.150 nan 0.000 0.449 344 L N -1.015 120.369 121.223 0.268 0.000 2.477 344 L HA 0.219 4.561 4.340 0.002 0.000 0.220 344 L C 0.563 177.646 176.870 0.355 0.000 1.106 344 L CA 0.919 55.789 54.840 0.050 0.000 0.851 344 L CB -0.531 41.224 42.059 -0.506 0.000 0.994 344 L HN 0.520 nan 8.230 nan 0.000 0.462 345 N N -0.213 118.786 118.700 0.499 0.000 2.758 345 N HA -0.168 4.574 4.740 0.002 0.000 0.248 345 N C -0.831 174.932 175.510 0.423 0.000 1.076 345 N CA 0.971 54.325 53.050 0.507 0.000 0.696 345 N CB -1.253 37.654 38.487 0.700 0.000 0.979 345 N HN 0.239 nan 8.380 nan 0.000 0.550 346 V N -3.252 116.830 119.914 0.279 0.000 3.160 346 V HA 0.827 4.949 4.120 0.002 0.000 0.310 346 V C 0.685 176.864 176.094 0.142 0.000 1.181 346 V CA -0.507 61.908 62.300 0.191 0.000 1.047 346 V CB 1.551 33.456 31.823 0.138 0.000 1.068 346 V HN 0.400 nan 8.190 nan 0.000 0.441 347 S N -0.015 115.732 115.700 0.079 0.000 2.593 347 S HA 0.186 4.657 4.470 0.002 0.000 0.269 347 S C 1.303 175.962 174.600 0.099 0.000 1.334 347 S CA 0.353 58.591 58.200 0.063 0.000 1.015 347 S CB 0.917 64.129 63.200 0.021 0.000 0.912 347 S HN 1.514 nan 8.310 nan 0.000 0.541 348 T N -0.300 114.315 114.554 0.101 0.000 2.833 348 T HA -0.177 4.175 4.350 0.002 0.000 0.269 348 T C 1.786 176.533 174.700 0.079 0.000 1.054 348 T CA 1.075 63.247 62.100 0.120 0.000 1.135 348 T CB -0.488 68.430 68.868 0.083 0.000 0.869 348 T HN 0.730 nan 8.240 nan 0.000 0.466 349 R N 1.363 121.892 120.500 0.048 0.000 2.097 349 R HA -0.170 4.171 4.340 0.002 0.000 0.236 349 R C 2.342 178.656 176.300 0.023 0.000 1.135 349 R CA 2.293 58.410 56.100 0.028 0.000 0.934 349 R CB -1.146 29.165 30.300 0.017 0.000 0.846 349 R HN 0.409 nan 8.270 nan 0.000 0.431 350 T N 0.577 115.146 114.554 0.025 0.000 2.720 350 T HA -0.183 4.169 4.350 0.002 0.000 0.268 350 T C 1.917 176.625 174.700 0.013 0.000 1.037 350 T CA 1.727 63.834 62.100 0.013 0.000 1.144 350 T CB -0.355 68.524 68.868 0.018 0.000 0.864 350 T HN 0.593 nan 8.240 nan 0.000 0.444 351 S N 1.680 117.413 115.700 0.055 0.000 2.368 351 S HA -0.166 4.306 4.470 0.002 0.000 0.225 351 S C 1.902 176.525 174.600 0.038 0.000 1.030 351 S CA 1.356 59.600 58.200 0.074 0.000 0.999 351 S CB -0.424 62.922 63.200 0.243 0.000 0.844 351 S HN 0.595 nan 8.310 nan 0.000 0.459 352 E N 0.571 120.794 120.200 0.038 0.000 2.107 352 E HA -0.023 4.329 4.350 0.002 0.000 0.191 352 E C 2.421 178.990 176.600 -0.053 0.000 0.982 352 E CA 0.511 56.912 56.400 0.002 0.000 0.809 352 E CB -0.130 29.580 29.700 0.018 0.000 0.756 352 E HN 0.243 nan 8.360 nan 0.000 0.459 353 R N 1.163 121.634 120.500 -0.048 0.000 2.103 353 R HA -0.170 4.171 4.340 0.002 0.000 0.242 353 R C 2.259 178.472 176.300 -0.146 0.000 1.142 353 R CA 1.118 57.175 56.100 -0.071 0.000 0.960 353 R CB -0.752 29.522 30.300 -0.043 0.000 0.858 353 R HN 0.233 nan 8.270 nan 0.000 0.439 354 L N 0.890 122.005 121.223 -0.181 0.000 2.093 354 L HA -0.118 4.223 4.340 0.002 0.000 0.208 354 L C 2.673 179.189 176.870 -0.590 0.000 1.085 354 L CA 1.873 56.492 54.840 -0.367 0.000 0.755 354 L CB -0.638 41.237 42.059 -0.306 0.000 0.904 354 L HN -0.045 nan 8.230 nan 0.000 0.435 355 R N -0.258 120.034 120.500 -0.346 0.000 2.091 355 R HA -0.156 4.185 4.340 0.002 0.000 0.238 355 R C 1.979 178.134 176.300 -0.242 0.000 1.136 355 R CA 1.883 57.823 56.100 -0.267 0.000 0.959 355 R CB -1.213 29.032 30.300 -0.091 0.000 0.856 355 R HN 0.675 nan 8.270 nan 0.000 0.437 356 D N 0.365 120.643 120.400 -0.204 0.000 2.078 356 D HA -0.093 4.548 4.640 0.002 0.000 0.193 356 D C 2.151 178.289 176.300 -0.270 0.000 0.990 356 D CA 1.620 55.517 54.000 -0.170 0.000 0.827 356 D CB -0.642 40.089 40.800 -0.115 0.000 0.975 356 D HN 0.284 nan 8.370 nan 0.000 0.451 357 L N 0.382 121.388 121.223 -0.362 0.000 2.103 357 L HA -0.289 4.053 4.340 0.002 0.000 0.215 357 L C 2.422 178.646 176.870 -1.077 0.000 1.080 357 L CA 1.546 56.033 54.840 -0.588 0.000 0.764 357 L CB -0.324 41.420 42.059 -0.525 0.000 0.890 357 L HN 0.275 nan 8.230 nan 0.000 0.435 358 H N -2.620 115.918 119.070 -0.888 0.000 2.307 358 H HA -0.199 4.358 4.556 0.002 0.000 0.303 358 H C 2.333 177.436 175.328 -0.374 0.000 1.073 358 H CA 1.096 56.695 56.048 -0.748 0.000 1.338 358 H CB 0.050 29.562 29.762 -0.416 0.000 1.389 358 H HN 0.201 nan 8.280 nan 0.000 0.503 359 Q N 0.945 120.681 119.800 -0.108 0.000 2.181 359 Q HA -0.185 4.157 4.340 0.002 0.000 0.205 359 Q C 2.636 178.617 176.000 -0.031 0.000 0.980 359 Q CA 1.620 57.396 55.803 -0.045 0.000 0.862 359 Q CB -0.438 28.276 28.738 -0.040 0.000 0.905 359 Q HN 0.654 nan 8.270 nan 0.000 0.429 360 S N -0.965 114.680 115.700 -0.091 0.000 2.355 360 S HA -0.136 4.335 4.470 0.002 0.000 0.222 360 S C 1.686 176.371 174.600 0.140 0.000 1.031 360 S CA 1.265 59.465 58.200 -0.001 0.000 0.993 360 S CB -0.731 62.456 63.200 -0.023 0.000 0.859 360 S HN 0.801 nan 8.310 nan 0.000 0.453 361 W N 2.374 123.697 121.300 0.037 0.000 2.392 361 W HA 0.206 4.867 4.660 0.001 0.000 0.279 361 W C 2.020 178.543 176.519 0.007 0.000 1.225 361 W CA 0.673 58.029 57.345 0.018 0.000 1.233 361 W CB -1.256 28.210 29.460 0.010 0.000 1.122 361 W HN 0.550 nan 8.180 nan 0.000 0.561 362 K N 1.437 121.954 120.400 0.196 0.000 3.006 362 K HA 0.361 4.683 4.320 0.002 0.000 0.265 362 K C 0.354 177.003 176.600 0.082 0.000 1.279 362 K CA 0.749 57.104 56.287 0.113 0.000 1.229 362 K CB -1.246 31.296 32.500 0.070 0.000 1.555 362 K HN 0.230 nan 8.250 nan 0.000 0.300 363 T N 0.000 114.609 114.554 0.091 0.000 3.816 363 T HA 0.000 4.351 4.350 0.002 0.000 0.228 363 T CA 0.000 62.139 62.100 0.065 0.000 1.349 363 T CB 0.000 68.907 68.868 0.065 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658