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 1n4s_1_B 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 0.000 176.914 176.870 0.073 0.000 1.165 18 L CA 0.000 54.868 54.840 0.047 0.000 0.813 18 L CB 0.000 42.073 42.059 0.024 0.000 0.961 19 D N 0.104 120.548 120.400 0.074 0.000 2.374 19 D HA 0.353 4.993 4.640 0.000 0.000 0.239 19 D C -1.015 175.391 176.300 0.178 0.000 0.991 19 D CA -0.399 53.670 54.000 0.115 0.000 0.960 19 D CB 2.141 42.984 40.800 0.072 0.000 1.284 19 D HN 0.049 nan 8.370 nan 0.000 0.512 20 F N 0.915 120.901 119.950 0.060 0.000 2.438 20 F HA 0.237 4.764 4.527 0.000 0.000 0.360 20 F C -0.245 175.582 175.800 0.044 0.000 1.118 20 F CA -1.096 56.969 58.000 0.109 0.000 1.164 20 F CB 0.297 39.379 39.000 0.136 0.000 1.131 20 F HN 0.122 nan 8.300 nan 0.000 0.527 21 L N 7.887 128.838 121.223 -0.454 0.000 2.533 21 L HA 0.175 4.515 4.340 0.000 0.000 0.239 21 L C 1.936 178.260 176.870 -0.911 0.000 1.376 21 L CA 0.432 54.906 54.840 -0.610 0.000 1.240 21 L CB -1.207 40.485 42.059 -0.611 0.000 1.487 21 L HN 0.685 nan 8.230 nan 0.000 0.419 22 R N 0.462 120.450 120.500 -0.854 0.000 2.133 22 R HA -0.227 4.113 4.340 0.000 0.000 0.245 22 R C 1.266 177.382 176.300 -0.307 0.000 1.137 22 R CA 2.294 58.033 56.100 -0.601 0.000 0.947 22 R CB 0.092 30.302 30.300 -0.150 0.000 0.865 22 R HN 0.496 nan 8.270 nan 0.000 0.437 23 D N -0.440 119.815 120.400 -0.243 0.000 2.144 23 D HA -0.156 4.484 4.640 0.000 0.000 0.199 23 D C 2.047 178.228 176.300 -0.198 0.000 0.984 23 D CA 1.021 54.928 54.000 -0.156 0.000 0.834 23 D CB -0.206 40.522 40.800 -0.119 0.000 0.955 23 D HN 0.207 nan 8.370 nan 0.000 0.465 24 R N 0.141 120.434 120.500 -0.344 0.000 2.096 24 R HA -0.111 4.229 4.340 0.000 0.000 0.235 24 R C 2.194 178.289 176.300 -0.343 0.000 1.127 24 R CA 1.144 57.023 56.100 -0.367 0.000 0.968 24 R CB -0.190 29.803 30.300 -0.512 0.000 0.861 24 R HN 0.293 nan 8.270 nan 0.000 0.440 25 H N -0.977 117.928 119.070 -0.275 0.000 2.428 25 H HA -0.010 4.546 4.556 0.000 0.000 0.296 25 H C 2.020 177.262 175.328 -0.143 0.000 1.062 25 H CA 1.389 57.253 56.048 -0.306 0.000 1.350 25 H CB -0.188 29.401 29.762 -0.288 0.000 1.403 25 H HN 0.059 nan 8.280 nan 0.000 0.533 26 V N 1.058 121.017 119.914 0.075 0.000 2.358 26 V HA -0.217 3.903 4.120 0.000 0.000 0.246 26 V C 2.590 178.751 176.094 0.111 0.000 1.047 26 V CA 1.542 63.939 62.300 0.161 0.000 1.035 26 V CB -0.326 31.554 31.823 0.094 0.000 0.658 26 V HN 0.292 nan 8.190 nan 0.000 0.452 27 R N -1.082 119.432 120.500 0.024 0.000 2.081 27 R HA -0.163 4.177 4.340 0.000 0.000 0.235 27 R C 2.246 178.548 176.300 0.004 0.000 1.131 27 R CA 1.929 58.029 56.100 0.000 0.000 0.960 27 R CB -0.516 29.761 30.300 -0.039 0.000 0.856 27 R HN 0.526 nan 8.270 nan 0.000 0.436 28 F N 0.725 120.578 119.950 -0.163 0.000 2.065 28 F HA -0.264 4.263 4.527 0.000 0.000 0.298 28 F C 1.758 177.471 175.800 -0.146 0.000 1.112 28 F CA 1.692 59.563 58.000 -0.214 0.000 1.212 28 F CB -0.386 38.403 39.000 -0.351 0.000 0.975 28 F HN -0.075 nan 8.300 nan 0.000 0.476 29 F N 0.356 120.423 119.950 0.196 0.000 2.216 29 F HA -0.237 4.290 4.527 0.000 0.000 0.300 29 F C 2.527 178.279 175.800 -0.079 0.000 1.085 29 F CA 1.138 59.174 58.000 0.060 0.000 1.326 29 F CB -0.568 38.498 39.000 0.110 0.000 1.027 29 F HN 0.070 nan 8.300 nan 0.000 0.497 30 Q N 0.132 119.995 119.800 0.104 0.000 2.050 30 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 30 Q C 2.234 178.185 176.000 -0.082 0.000 0.980 30 Q CA 1.403 57.208 55.803 0.003 0.000 0.840 30 Q CB -0.328 28.406 28.738 -0.007 0.000 0.898 30 Q HN 0.380 nan 8.270 nan 0.000 0.424 31 R N -0.026 120.388 120.500 -0.144 0.000 2.105 31 R HA -0.121 4.219 4.340 0.000 0.000 0.239 31 R C 2.438 178.585 176.300 -0.256 0.000 1.135 31 R CA 1.458 57.430 56.100 -0.213 0.000 0.967 31 R CB -0.369 29.765 30.300 -0.277 0.000 0.861 31 R HN 0.294 nan 8.270 nan 0.000 0.442 32 C N 0.081 119.208 119.300 -0.288 0.000 2.422 32 C HA -0.043 4.417 4.460 0.000 0.000 0.279 32 C C 2.023 176.906 174.990 -0.178 0.000 1.305 32 C CA 0.339 59.207 59.018 -0.250 0.000 1.757 32 C CB -0.684 26.975 27.740 -0.135 0.000 1.962 32 C HN 0.392 nan 8.230 nan 0.000 0.499 33 L N 0.434 121.569 121.223 -0.147 0.000 2.552 33 L HA 0.035 4.375 4.340 0.000 0.000 0.227 33 L C 2.003 178.754 176.870 -0.200 0.000 1.146 33 L CA 1.355 56.090 54.840 -0.175 0.000 0.858 33 L CB -1.449 40.524 42.059 -0.144 0.000 0.969 33 L HN 0.534 nan 8.230 nan 0.000 0.451 34 Q N -1.282 118.413 119.800 -0.175 0.000 2.349 34 Q HA 0.213 4.553 4.340 0.000 0.000 0.455 34 Q C -0.290 175.617 176.000 -0.154 0.000 1.031 34 Q CA 0.249 55.957 55.803 -0.159 0.000 0.693 34 Q CB 0.417 29.076 28.738 -0.131 0.000 3.634 34 Q HN 0.057 nan 8.270 nan 0.000 0.358 35 V N 1.420 121.255 119.914 -0.133 0.000 2.588 35 V HA 0.389 4.509 4.120 0.000 0.000 0.304 35 V C -0.920 175.110 176.094 -0.106 0.000 1.042 35 V CA -0.567 61.670 62.300 -0.105 0.000 0.877 35 V CB 1.616 33.395 31.823 -0.074 0.000 0.996 35 V HN 0.293 nan 8.190 nan 0.000 0.425 36 L N 5.088 126.261 121.223 -0.083 0.000 2.331 36 L HA 0.630 4.970 4.340 0.000 0.000 0.275 36 L C -2.309 174.612 176.870 0.084 0.000 1.022 36 L CA -1.814 52.987 54.840 -0.064 0.000 0.812 36 L CB 1.601 43.574 42.059 -0.145 0.000 1.257 36 L HN 0.418 nan 8.230 nan 0.000 0.435 37 P HA 0.039 nan 4.420 nan 0.000 0.272 37 P C 0.395 177.809 177.300 0.189 0.000 1.223 37 P CA -0.389 62.821 63.100 0.183 0.000 0.784 37 P CB 0.661 32.480 31.700 0.198 0.000 0.923 38 E N 1.717 121.966 120.200 0.082 0.000 2.331 38 E HA -0.240 4.110 4.350 0.000 0.000 0.199 38 E C 1.503 178.106 176.600 0.005 0.000 1.008 38 E CA 0.557 56.989 56.400 0.053 0.000 0.843 38 E CB 0.072 29.788 29.700 0.026 0.000 0.761 38 E HN 0.346 nan 8.360 nan 0.000 0.507 39 R N -0.621 119.828 120.500 -0.084 0.000 2.328 39 R HA -0.132 4.208 4.340 0.000 0.000 0.207 39 R C 0.464 176.537 176.300 -0.378 0.000 1.056 39 R CA 1.013 56.959 56.100 -0.256 0.000 1.016 39 R CB -0.281 29.791 30.300 -0.380 0.000 0.872 39 R HN 0.241 nan 8.270 nan 0.000 0.471 40 Y N 1.180 121.493 120.300 0.022 0.000 2.607 40 Y HA 0.168 4.718 4.550 0.000 0.000 0.266 40 Y C 2.028 177.945 175.900 0.028 0.000 1.178 40 Y CA 0.007 58.125 58.100 0.030 0.000 1.226 40 Y CB 0.728 39.203 38.460 0.026 0.000 1.144 40 Y HN 0.207 nan 8.280 nan 0.000 0.528 41 S N -0.510 115.252 115.700 0.103 0.000 2.402 41 S HA -0.263 4.207 4.470 0.000 0.000 0.233 41 S C 2.030 176.663 174.600 0.056 0.000 1.030 41 S CA 1.592 59.836 58.200 0.073 0.000 1.003 41 S CB -0.845 62.379 63.200 0.040 0.000 0.813 41 S HN 0.497 nan 8.310 nan 0.000 0.477 42 S N 1.329 117.062 115.700 0.055 0.000 2.595 42 S HA 0.194 4.664 4.470 0.000 0.000 0.235 42 S C 1.407 176.038 174.600 0.052 0.000 0.974 42 S CA 0.462 58.687 58.200 0.042 0.000 0.942 42 S CB -0.699 62.528 63.200 0.046 0.000 0.766 42 S HN 0.584 nan 8.310 nan 0.000 0.536 43 L N 0.425 121.699 121.223 0.085 0.000 2.607 43 L HA 0.264 4.604 4.340 0.000 0.000 0.228 43 L C 2.446 179.342 176.870 0.042 0.000 1.123 43 L CA 0.261 55.152 54.840 0.086 0.000 0.890 43 L CB -0.278 41.866 42.059 0.141 0.000 1.103 43 L HN 0.241 nan 8.230 nan 0.000 0.468 44 E N 1.387 121.600 120.200 0.022 0.000 2.086 44 E HA -0.290 4.060 4.350 0.000 0.000 0.205 44 E C 1.980 178.546 176.600 -0.057 0.000 1.027 44 E CA 2.518 58.921 56.400 0.004 0.000 0.830 44 E CB -0.230 29.459 29.700 -0.018 0.000 0.751 44 E HN 0.428 nan 8.360 nan 0.000 0.456 45 T N -2.448 111.984 114.554 -0.204 0.000 3.160 45 T HA 0.024 4.374 4.350 0.000 0.000 0.257 45 T C 0.938 175.552 174.700 -0.143 0.000 1.147 45 T CA 0.662 62.577 62.100 -0.309 0.000 1.064 45 T CB -0.317 68.248 68.868 -0.505 0.000 0.949 45 T HN 0.150 nan 8.240 nan 0.000 0.526 46 S N -0.682 114.977 115.700 -0.069 0.000 2.901 46 S HA 0.415 4.885 4.470 0.000 0.000 0.248 46 S C 1.038 175.643 174.600 0.008 0.000 1.021 46 S CA -0.964 57.200 58.200 -0.060 0.000 1.090 46 S CB 0.179 63.341 63.200 -0.063 0.000 1.039 46 S HN 0.316 nan 8.310 nan 0.000 0.514 47 R N 0.193 120.738 120.500 0.075 0.000 2.120 47 R HA 0.074 4.414 4.340 0.000 0.000 0.234 47 R C 1.932 178.350 176.300 0.197 0.000 1.123 47 R CA 1.081 57.270 56.100 0.148 0.000 0.975 47 R CB -0.394 30.056 30.300 0.250 0.000 0.866 47 R HN 0.399 nan 8.270 nan 0.000 0.446 48 L N 0.922 122.244 121.223 0.165 0.000 2.083 48 L HA -0.156 4.184 4.340 0.000 0.000 0.209 48 L C 2.298 179.145 176.870 -0.037 0.000 1.083 48 L CA 2.287 57.194 54.840 0.111 0.000 0.752 48 L CB -0.836 41.181 42.059 -0.070 0.000 0.899 48 L HN 0.276 nan 8.230 nan 0.000 0.433 49 T N -3.596 110.874 114.554 -0.139 0.000 3.023 49 T HA -0.065 4.285 4.350 0.000 0.000 0.266 49 T C 1.935 176.359 174.700 -0.461 0.000 1.093 49 T CA 0.814 62.708 62.100 -0.343 0.000 1.129 49 T CB -0.382 68.265 68.868 -0.368 0.000 0.899 49 T HN 0.185 nan 8.240 nan 0.000 0.491 50 I N 2.274 122.742 120.570 -0.170 0.000 2.252 50 I HA 0.053 4.223 4.170 0.000 0.000 0.245 50 I C 3.112 179.197 176.117 -0.054 0.000 1.102 50 I CA 1.044 62.326 61.300 -0.031 0.000 1.385 50 I CB -1.746 36.282 38.000 0.048 0.000 1.064 50 I HN 0.388 nan 8.210 nan 0.000 0.414 51 A N 0.873 123.668 122.820 -0.041 0.000 1.908 51 A HA -0.273 4.047 4.320 0.000 0.000 0.218 51 A C 2.307 179.809 177.584 -0.137 0.000 1.181 51 A CA 1.538 53.546 52.037 -0.048 0.000 0.627 51 A CB -1.124 17.940 19.000 0.107 0.000 0.818 51 A HN 0.387 nan 8.150 nan 0.000 0.445 52 F N 0.010 119.762 119.950 -0.330 0.000 2.069 52 F HA -0.205 4.322 4.527 0.000 0.000 0.298 52 F C 2.014 177.495 175.800 -0.533 0.000 1.113 52 F CA 1.804 59.525 58.000 -0.464 0.000 1.214 52 F CB -0.632 38.002 39.000 -0.610 0.000 0.978 52 F HN 0.261 nan 8.300 nan 0.000 0.474 53 F N 0.278 119.830 119.950 -0.663 0.000 2.120 53 F HA -0.264 4.263 4.527 0.000 0.000 0.300 53 F C 2.610 177.883 175.800 -0.877 0.000 1.095 53 F CA 0.664 58.103 58.000 -0.936 0.000 1.249 53 F CB -0.899 37.902 39.000 -0.332 0.000 0.995 53 F HN 0.171 nan 8.300 nan 0.000 0.480 54 A N 0.496 123.114 122.820 -0.337 0.000 1.854 54 A HA -0.089 4.231 4.320 0.000 0.000 0.214 54 A C 2.146 179.406 177.584 -0.540 0.000 1.192 54 A CA 1.100 52.911 52.037 -0.376 0.000 0.611 54 A CB -0.996 17.968 19.000 -0.061 0.000 0.832 54 A HN 0.320 nan 8.150 nan 0.000 0.442 55 L N -0.805 120.167 121.223 -0.418 0.000 1.994 55 L HA -0.165 4.175 4.340 0.000 0.000 0.208 55 L C 2.911 179.515 176.870 -0.445 0.000 1.071 55 L CA 1.688 56.320 54.840 -0.347 0.000 0.745 55 L CB -0.587 41.321 42.059 -0.253 0.000 0.892 55 L HN 0.470 nan 8.230 nan 0.000 0.431 56 S N -0.140 115.149 115.700 -0.685 0.000 2.399 56 S HA -0.132 4.338 4.470 0.000 0.000 0.231 56 S C 1.932 176.281 174.600 -0.418 0.000 1.022 56 S CA 1.299 59.114 58.200 -0.641 0.000 0.983 56 S CB -0.390 62.064 63.200 -1.244 0.000 0.803 56 S HN 0.549 nan 8.310 nan 0.000 0.480 57 G N 1.049 109.449 108.800 -0.667 0.000 2.408 57 G HA2 -0.044 3.916 3.960 0.000 0.000 0.217 57 G HA3 -0.044 3.916 3.960 0.000 0.000 0.217 57 G C 1.380 176.016 174.900 -0.439 0.000 1.150 57 G CA 0.617 45.293 45.100 -0.707 0.000 0.776 57 G HN 0.513 nan 8.290 nan 0.000 0.542 58 L N 0.257 121.242 121.223 -0.398 0.000 2.109 58 L HA -0.004 4.336 4.340 0.000 0.000 0.207 58 L C 2.543 179.380 176.870 -0.056 0.000 1.086 58 L CA 1.083 55.871 54.840 -0.087 0.000 0.760 58 L CB -0.267 41.755 42.059 -0.062 0.000 0.910 58 L HN 0.143 nan 8.230 nan 0.000 0.437 59 D N 0.295 120.626 120.400 -0.115 0.000 2.104 59 D HA -0.259 4.381 4.640 0.000 0.000 0.194 59 D C 2.145 178.423 176.300 -0.036 0.000 0.994 59 D CA 1.464 55.422 54.000 -0.070 0.000 0.830 59 D CB 0.058 40.801 40.800 -0.095 0.000 0.959 59 D HN 0.034 nan 8.370 nan 0.000 0.452 60 M N -0.344 119.225 119.600 -0.051 0.000 2.267 60 M HA 0.005 4.485 4.480 0.000 0.000 0.263 60 M C 1.491 177.805 176.300 0.024 0.000 1.063 60 M CA 1.088 56.370 55.300 -0.031 0.000 1.090 60 M CB -0.030 32.523 32.600 -0.079 0.000 1.392 60 M HN 0.074 nan 8.290 nan 0.000 0.422 61 L N -1.267 119.998 121.223 0.070 0.000 2.667 61 L HA 0.138 4.478 4.340 0.000 0.000 0.232 61 L C 0.120 177.046 176.870 0.093 0.000 1.138 61 L CA -0.220 54.702 54.840 0.137 0.000 0.921 61 L CB -0.398 41.799 42.059 0.230 0.000 1.180 61 L HN 0.234 nan 8.230 nan 0.000 0.487 62 D N 0.633 121.063 120.400 0.051 0.000 2.737 62 D HA -0.206 4.434 4.640 0.000 0.000 0.238 62 D C 0.150 176.474 176.300 0.039 0.000 1.157 62 D CA 0.705 54.726 54.000 0.036 0.000 0.694 62 D CB -0.650 40.173 40.800 0.039 0.000 1.021 62 D HN 0.213 nan 8.370 nan 0.000 0.420 63 S N 0.018 115.740 115.700 0.036 0.000 2.977 63 S HA 0.187 4.657 4.470 0.000 0.000 0.250 63 S C 1.398 176.008 174.600 0.018 0.000 1.005 63 S CA -0.606 57.616 58.200 0.037 0.000 1.081 63 S CB 0.253 63.491 63.200 0.064 0.000 1.018 63 S HN 0.404 nan 8.310 nan 0.000 0.539 64 L N 2.170 123.393 121.223 0.001 0.000 2.633 64 L HA -0.087 4.253 4.340 0.000 0.000 0.235 64 L C 2.088 178.955 176.870 -0.005 0.000 1.163 64 L CA 0.987 55.819 54.840 -0.013 0.000 0.859 64 L CB -0.213 41.833 42.059 -0.022 0.000 0.973 64 L HN 0.500 nan 8.230 nan 0.000 0.451 65 D N -0.082 120.320 120.400 0.003 0.000 2.269 65 D HA -0.131 4.509 4.640 0.000 0.000 0.208 65 D C 1.772 178.073 176.300 0.002 0.000 0.963 65 D CA 1.213 55.215 54.000 0.004 0.000 0.864 65 D CB -0.259 40.545 40.800 0.007 0.000 0.936 65 D HN 0.368 nan 8.370 nan 0.000 0.505 66 V N -0.317 119.599 119.914 0.003 0.000 3.444 66 V HA 0.080 4.200 4.120 0.000 0.000 0.271 66 V C 0.850 176.939 176.094 -0.009 0.000 1.188 66 V CA 0.226 62.526 62.300 -0.000 0.000 1.168 66 V CB -1.214 30.614 31.823 0.008 0.000 0.810 66 V HN 0.203 nan 8.190 nan 0.000 0.500 67 V N -2.433 117.474 119.914 -0.012 0.000 3.001 67 V HA 0.607 4.727 4.120 0.000 0.000 0.314 67 V C -0.236 175.850 176.094 -0.012 0.000 1.099 67 V CA -0.967 61.321 62.300 -0.020 0.000 0.989 67 V CB 1.908 33.712 31.823 -0.031 0.000 1.040 67 V HN 0.230 nan 8.190 nan 0.000 0.434 68 N N 2.043 120.736 118.700 -0.012 0.000 2.663 68 N HA 0.237 4.977 4.740 0.000 0.000 0.250 68 N C 0.897 176.417 175.510 0.016 0.000 1.129 68 N CA -0.052 53.000 53.050 0.002 0.000 0.995 68 N CB 0.736 39.224 38.487 0.001 0.000 1.324 68 N HN 0.807 nan 8.380 nan 0.000 0.512 69 K N 1.120 121.531 120.400 0.019 0.000 2.127 69 K HA -0.183 4.137 4.320 0.000 0.000 0.208 69 K C 0.720 177.355 176.600 0.060 0.000 1.047 69 K CA 1.474 57.780 56.287 0.031 0.000 0.927 69 K CB 0.241 32.757 32.500 0.027 0.000 0.716 69 K HN 0.522 nan 8.250 nan 0.000 0.450 70 D N 0.902 121.339 120.400 0.062 0.000 2.117 70 D HA -0.129 4.511 4.640 0.000 0.000 0.198 70 D C 1.490 177.857 176.300 0.113 0.000 0.982 70 D CA 1.070 55.122 54.000 0.086 0.000 0.828 70 D CB -0.137 40.704 40.800 0.069 0.000 0.967 70 D HN 0.210 nan 8.370 nan 0.000 0.464 71 D N 1.083 121.539 120.400 0.092 0.000 2.084 71 D HA -0.080 4.560 4.640 0.000 0.000 0.194 71 D C 2.381 178.786 176.300 0.174 0.000 0.990 71 D CA 0.443 54.512 54.000 0.114 0.000 0.826 71 D CB -0.327 40.506 40.800 0.055 0.000 0.971 71 D HN 0.265 nan 8.370 nan 0.000 0.453 72 I N 0.958 121.607 120.570 0.132 0.000 2.264 72 I HA -0.229 3.941 4.170 0.000 0.000 0.248 72 I C 2.423 178.692 176.117 0.255 0.000 1.111 72 I CA 0.714 62.126 61.300 0.186 0.000 1.382 72 I CB -0.187 37.866 38.000 0.088 0.000 1.060 72 I HN -0.027 nan 8.210 nan 0.000 0.418 73 I N 0.391 121.071 120.570 0.184 0.000 2.286 73 I HA -0.233 3.937 4.170 0.000 0.000 0.248 73 I C 2.515 178.796 176.117 0.273 0.000 1.115 73 I CA 1.130 62.536 61.300 0.177 0.000 1.392 73 I CB -0.371 37.741 38.000 0.187 0.000 1.065 73 I HN 0.235 nan 8.210 nan 0.000 0.418 74 E N -0.038 120.345 120.200 0.306 0.000 2.072 74 E HA -0.251 4.099 4.350 0.000 0.000 0.191 74 E C 1.724 178.532 176.600 0.347 0.000 0.985 74 E CA 1.135 57.736 56.400 0.335 0.000 0.801 74 E CB -0.454 29.449 29.700 0.338 0.000 0.750 74 E HN 0.596 nan 8.360 nan 0.000 0.452 75 W N 1.894 123.328 121.300 0.223 0.000 2.335 75 W HA -0.141 4.519 4.660 -0.000 0.000 0.311 75 W C 2.011 178.594 176.519 0.106 0.000 1.213 75 W CA 1.486 58.964 57.345 0.222 0.000 1.274 75 W CB -0.481 29.079 29.460 0.167 0.000 1.148 75 W HN -0.062 nan 8.180 nan 0.000 0.498 76 I N -0.599 119.984 120.570 0.021 0.000 2.208 76 I HA -0.367 3.803 4.170 0.000 0.000 0.245 76 I C 2.077 178.096 176.117 -0.164 0.000 1.097 76 I CA 1.427 62.574 61.300 -0.255 0.000 1.363 76 I CB -0.853 37.035 38.000 -0.186 0.000 1.051 76 I HN -0.053 nan 8.210 nan 0.000 0.413 77 Y N 1.033 121.327 120.300 -0.011 0.000 2.421 77 Y HA -0.191 4.359 4.550 0.000 0.000 0.292 77 Y C 2.913 178.667 175.900 -0.244 0.000 1.136 77 Y CA 1.250 59.322 58.100 -0.048 0.000 1.255 77 Y CB -0.581 37.858 38.460 -0.035 0.000 0.991 77 Y HN 0.266 nan 8.280 nan 0.000 0.552 78 S N -1.001 114.563 115.700 -0.227 0.000 2.515 78 S HA -0.056 4.414 4.470 0.000 0.000 0.231 78 S C 1.532 175.906 174.600 -0.376 0.000 0.987 78 S CA 0.616 58.534 58.200 -0.469 0.000 0.936 78 S CB -0.628 62.068 63.200 -0.841 0.000 0.766 78 S HN 0.479 nan 8.310 nan 0.000 0.528 79 L N 0.547 121.562 121.223 -0.345 0.000 2.592 79 L HA 0.266 4.606 4.340 0.000 0.000 0.227 79 L C 1.327 177.990 176.870 -0.345 0.000 1.127 79 L CA 0.009 54.669 54.840 -0.299 0.000 0.884 79 L CB -0.235 41.643 42.059 -0.302 0.000 1.065 79 L HN 0.413 nan 8.230 nan 0.000 0.457 80 Q N 1.353 120.826 119.800 -0.545 0.000 2.304 80 Q HA 0.194 4.534 4.340 0.000 0.000 0.260 80 Q C -0.730 174.956 176.000 -0.524 0.000 0.965 80 Q CA -0.252 54.970 55.803 -0.968 0.000 0.898 80 Q CB 1.479 29.604 28.738 -1.022 0.000 1.196 80 Q HN -0.019 nan 8.270 nan 0.000 0.402 81 V N 6.911 126.551 119.914 -0.458 0.000 2.339 81 V HA 0.179 4.299 4.120 0.000 0.000 0.261 81 V C 0.177 176.125 176.094 -0.243 0.000 1.058 81 V CA -0.168 61.968 62.300 -0.274 0.000 0.897 81 V CB 0.162 31.868 31.823 -0.195 0.000 1.052 81 V HN 0.724 nan 8.190 nan 0.000 0.480 82 L N 7.896 128.995 121.223 -0.207 0.000 2.399 82 L HA 0.490 4.830 4.340 0.000 0.000 0.266 82 L C -1.857 174.940 176.870 -0.121 0.000 1.114 82 L CA -1.829 52.912 54.840 -0.164 0.000 0.804 82 L CB 1.448 43.415 42.059 -0.154 0.000 1.146 82 L HN 0.380 nan 8.230 nan 0.000 0.451 83 P HA 0.073 nan 4.420 nan 0.000 0.271 83 P C -0.527 176.729 177.300 -0.073 0.000 1.218 83 P CA -0.362 62.690 63.100 -0.081 0.000 0.780 83 P CB 0.634 32.291 31.700 -0.072 0.000 0.901 84 T N -1.905 112.611 114.554 -0.063 0.000 2.766 84 T HA 0.260 4.610 4.350 0.000 0.000 0.295 84 T C 1.753 176.423 174.700 -0.051 0.000 1.024 84 T CA 0.243 62.309 62.100 -0.056 0.000 1.018 84 T CB -0.243 68.596 68.868 -0.049 0.000 1.002 84 T HN 0.456 nan 8.240 nan 0.000 0.532 85 E N 1.150 121.322 120.200 -0.046 0.000 2.108 85 E HA -0.269 4.081 4.350 0.000 0.000 0.203 85 E C 1.494 178.070 176.600 -0.040 0.000 1.022 85 E CA 2.034 58.409 56.400 -0.042 0.000 0.823 85 E CB -1.497 28.180 29.700 -0.037 0.000 0.744 85 E HN 0.997 nan 8.360 nan 0.000 0.456 86 D N -0.759 119.618 120.400 -0.038 0.000 2.349 86 D HA -0.024 4.616 4.640 0.000 0.000 0.224 86 D C 0.382 176.659 176.300 -0.038 0.000 1.029 86 D CA 0.288 54.266 54.000 -0.036 0.000 0.879 86 D CB -0.471 40.308 40.800 -0.034 0.000 0.906 86 D HN 0.500 nan 8.370 nan 0.000 0.528 87 R N -0.129 120.345 120.500 -0.043 0.000 3.387 87 R HA -0.172 4.168 4.340 0.000 0.000 0.254 87 R C 0.409 176.683 176.300 -0.042 0.000 1.006 87 R CA 0.895 56.968 56.100 -0.045 0.000 0.677 87 R CB -2.822 27.452 30.300 -0.043 0.000 1.063 87 R HN 0.473 nan 8.270 nan 0.000 0.453 88 S N -0.294 115.380 115.700 -0.043 0.000 2.577 88 S HA 0.008 4.478 4.470 0.000 0.000 0.219 88 S C 0.896 175.469 174.600 -0.045 0.000 0.962 88 S CA 0.046 58.221 58.200 -0.041 0.000 0.921 88 S CB 0.165 63.341 63.200 -0.040 0.000 0.789 88 S HN 0.551 nan 8.310 nan 0.000 0.497 89 N N 1.084 119.755 118.700 -0.048 0.000 2.365 89 N HA 0.216 4.956 4.740 0.000 0.000 0.257 89 N C 0.820 176.298 175.510 -0.052 0.000 1.287 89 N CA -0.391 52.629 53.050 -0.051 0.000 0.882 89 N CB -0.454 38.000 38.487 -0.055 0.000 1.250 89 N HN 0.308 nan 8.380 nan 0.000 0.507 90 L N 0.361 121.555 121.223 -0.048 0.000 2.042 90 L HA -0.140 4.200 4.340 0.000 0.000 0.210 90 L C 1.039 177.884 176.870 -0.042 0.000 1.076 90 L CA 1.418 56.230 54.840 -0.047 0.000 0.749 90 L CB -0.281 41.754 42.059 -0.041 0.000 0.893 90 L HN 0.091 nan 8.230 nan 0.000 0.432 91 D N 0.132 120.510 120.400 -0.037 0.000 2.403 91 D HA -0.113 4.527 4.640 0.000 0.000 0.227 91 D C 1.464 177.743 176.300 -0.034 0.000 0.995 91 D CA 0.854 54.835 54.000 -0.032 0.000 0.928 91 D CB 0.030 40.812 40.800 -0.031 0.000 0.887 91 D HN 0.431 nan 8.370 nan 0.000 0.529 92 R N -0.688 119.786 120.500 -0.042 0.000 2.565 92 R HA 0.210 4.550 4.340 0.000 0.000 0.347 92 R C 0.078 176.344 176.300 -0.056 0.000 1.010 92 R CA -0.236 55.837 56.100 -0.045 0.000 1.126 92 R CB 0.381 30.652 30.300 -0.047 0.000 1.331 92 R HN 0.023 nan 8.270 nan 0.000 0.552 93 C N 0.714 119.978 119.300 -0.060 0.000 2.520 93 C HA 0.806 5.266 4.460 0.000 0.000 0.376 93 C C 1.395 176.348 174.990 -0.061 0.000 1.268 93 C CA 0.297 59.266 59.018 -0.082 0.000 2.414 93 C CB 1.028 28.716 27.740 -0.087 0.000 2.521 93 C HN 0.787 nan 8.230 nan 0.000 0.618 94 G N 0.541 109.282 108.800 -0.098 0.000 2.366 94 G HA2 0.267 4.227 3.960 0.000 0.000 0.190 94 G HA3 0.267 4.227 3.960 0.000 0.000 0.190 94 G C -1.649 173.188 174.900 -0.104 0.000 1.299 94 G CA -0.536 44.570 45.100 0.010 0.000 1.056 94 G HN 0.427 nan 8.290 nan 0.000 0.468 95 F N 1.232 121.137 119.950 -0.075 0.000 2.561 95 F HA 0.769 5.296 4.527 0.000 0.000 0.321 95 F C 0.889 176.643 175.800 -0.077 0.000 1.065 95 F CA -0.709 57.228 58.000 -0.105 0.000 0.934 95 F CB 2.117 41.029 39.000 -0.145 0.000 1.215 95 F HN 0.394 nan 8.300 nan 0.000 0.471 96 R N 0.119 120.650 120.500 0.051 0.000 2.532 96 R HA 0.463 4.803 4.340 0.000 0.000 0.272 96 R C 1.040 177.360 176.300 0.034 0.000 1.032 96 R CA -0.268 55.855 56.100 0.037 0.000 1.089 96 R CB 0.638 30.914 30.300 -0.040 0.000 1.098 96 R HN 0.917 nan 8.270 nan 0.000 0.526 97 G N -0.167 108.677 108.800 0.074 0.000 2.511 97 G HA2 -0.086 3.874 3.960 0.000 0.000 0.217 97 G HA3 -0.086 3.874 3.960 0.000 0.000 0.217 97 G C 0.255 175.196 174.900 0.068 0.000 1.133 97 G CA 0.859 45.970 45.100 0.018 0.000 0.792 97 G HN 0.629 nan 8.290 nan 0.000 0.539 98 S N -1.911 113.879 115.700 0.150 0.000 2.671 98 S HA 0.339 4.809 4.470 0.000 0.000 0.270 98 S C 0.255 174.955 174.600 0.167 0.000 1.166 98 S CA 0.463 58.779 58.200 0.193 0.000 0.868 98 S CB 0.698 64.077 63.200 0.299 0.000 1.190 98 S HN 0.523 nan 8.310 nan 0.000 0.494 99 S N 0.272 116.081 115.700 0.181 0.000 2.618 99 S HA 0.154 4.624 4.470 0.000 0.000 0.242 99 S C 1.195 175.834 174.600 0.064 0.000 0.972 99 S CA 0.107 58.352 58.200 0.074 0.000 1.004 99 S CB -1.357 61.924 63.200 0.135 0.000 0.778 99 S HN 1.030 nan 8.310 nan 0.000 0.459 100 Y N 0.352 120.677 120.300 0.042 0.000 2.465 100 Y HA 0.147 4.697 4.550 0.000 0.000 0.289 100 Y C 1.387 177.301 175.900 0.022 0.000 1.150 100 Y CA 0.177 58.300 58.100 0.038 0.000 1.293 100 Y CB -0.666 37.815 38.460 0.035 0.000 0.977 100 Y HN 0.322 nan 8.280 nan 0.000 0.556 101 L N 0.391 121.282 121.223 -0.553 0.000 2.492 101 L HA 0.172 4.512 4.340 0.000 0.000 0.223 101 L C 1.851 178.642 176.870 -0.132 0.000 1.132 101 L CA 0.972 55.564 54.840 -0.414 0.000 0.850 101 L CB -0.558 41.129 42.059 -0.619 0.000 0.966 101 L HN 0.658 nan 8.230 nan 0.000 0.454 102 G N 0.695 109.453 108.800 -0.071 0.000 2.141 102 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 102 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 102 G C 0.271 175.185 174.900 0.023 0.000 0.982 102 G CA -0.289 44.819 45.100 0.013 0.000 0.662 102 G HN 0.265 nan 8.290 nan 0.000 0.527 103 I N 3.078 123.633 120.570 -0.025 0.000 2.556 103 I HA 0.189 4.359 4.170 0.000 0.000 0.284 103 I C -0.760 175.370 176.117 0.021 0.000 1.114 103 I CA -1.530 59.766 61.300 -0.007 0.000 1.418 103 I CB 0.589 38.543 38.000 -0.076 0.000 1.394 103 I HN 0.030 nan 8.210 nan 0.000 0.552 104 P HA -0.101 nan 4.420 nan 0.000 0.262 104 P C -0.422 176.936 177.300 0.096 0.000 1.182 104 P CA -0.078 63.069 63.100 0.078 0.000 0.761 104 P CB 0.317 32.052 31.700 0.059 0.000 0.795 105 F N 3.725 123.681 119.950 0.009 0.000 2.580 105 F HA -0.025 4.502 4.527 0.000 0.000 0.398 105 F C 0.545 176.347 175.800 0.004 0.000 1.023 105 F CA 0.893 58.902 58.000 0.015 0.000 1.188 105 F CB -0.112 38.913 39.000 0.041 0.000 1.005 105 F HN 0.391 nan 8.300 nan 0.000 0.546 106 N N 7.325 125.719 118.700 -0.509 0.000 2.664 106 N HA 0.290 5.030 4.740 0.000 0.000 0.268 106 N C -2.837 172.398 175.510 -0.458 0.000 1.222 106 N CA -1.559 51.285 53.050 -0.343 0.000 0.805 106 N CB 1.323 39.706 38.487 -0.174 0.000 1.399 106 N HN 0.144 nan 8.380 nan 0.000 0.547 107 P HA 0.064 nan 4.420 nan 0.000 0.235 107 P C -0.695 176.503 177.300 -0.169 0.000 1.720 107 P CA 0.233 63.173 63.100 -0.266 0.000 1.003 107 P CB -0.490 31.150 31.700 -0.100 0.000 1.968 108 S N -1.175 114.416 115.700 -0.182 0.000 3.549 108 S HA -0.230 4.240 4.470 0.000 0.000 0.366 108 S C 1.352 175.839 174.600 -0.188 0.000 1.012 108 S CA 1.593 59.683 58.200 -0.183 0.000 1.141 108 S CB -1.591 61.496 63.200 -0.189 0.000 0.910 108 S HN 0.748 nan 8.310 nan 0.000 0.471 109 K N 0.198 120.509 120.400 -0.148 0.000 2.139 109 K HA 0.478 4.798 4.320 0.000 0.000 0.217 109 K C 0.813 177.355 176.600 -0.096 0.000 1.025 109 K CA 1.138 57.357 56.287 -0.113 0.000 0.947 109 K CB -1.340 31.114 32.500 -0.077 0.000 0.897 109 K HN 0.930 nan 8.250 nan 0.000 0.457 110 N N 2.287 120.940 118.700 -0.080 0.000 2.317 110 N HA 0.394 5.134 4.740 0.000 0.000 0.245 110 N C -1.514 173.948 175.510 -0.080 0.000 1.294 110 N CA -0.643 52.367 53.050 -0.068 0.000 0.924 110 N CB -0.497 37.959 38.487 -0.051 0.000 1.186 110 N HN 0.560 nan 8.380 nan 0.000 0.495 111 P HA 0.244 nan 4.420 nan 0.000 0.296 111 P C 0.290 177.543 177.300 -0.079 0.000 1.295 111 P CA 0.005 63.060 63.100 -0.074 0.000 0.754 111 P CB -0.297 31.367 31.700 -0.060 0.000 1.311 112 G N -0.996 107.757 108.800 -0.078 0.000 2.372 112 G HA2 0.380 4.340 3.960 0.000 0.000 0.283 112 G HA3 0.380 4.340 3.960 0.000 0.000 0.283 112 G C -0.391 174.475 174.900 -0.057 0.000 1.177 112 G CA -0.202 44.851 45.100 -0.079 0.000 0.842 112 G HN 0.512 nan 8.290 nan 0.000 0.503 113 T N 1.159 115.683 114.554 -0.049 0.000 2.747 113 T HA 0.517 4.867 4.350 0.000 0.000 0.301 113 T C 0.870 175.567 174.700 -0.004 0.000 0.952 113 T CA -0.099 61.986 62.100 -0.025 0.000 0.983 113 T CB -0.286 68.573 68.868 -0.015 0.000 0.930 113 T HN 0.967 nan 8.240 nan 0.000 0.494 114 A N 4.770 127.584 122.820 -0.011 0.000 2.584 114 A HA 0.257 4.577 4.320 0.000 0.000 0.239 114 A C 0.235 177.845 177.584 0.043 0.000 1.043 114 A CA 0.297 52.332 52.037 -0.003 0.000 0.756 114 A CB -0.129 18.854 19.000 -0.029 0.000 0.963 114 A HN 0.983 nan 8.150 nan 0.000 0.511 115 H N 3.253 122.284 119.070 -0.064 0.000 3.042 115 H HA 0.325 4.881 4.556 0.000 0.000 0.345 115 H C -2.400 172.876 175.328 -0.087 0.000 1.052 115 H CA -1.458 54.559 56.048 -0.052 0.000 1.311 115 H CB 1.906 31.644 29.762 -0.040 0.000 1.810 115 H HN 0.360 nan 8.280 nan 0.000 0.505 116 P HA -0.131 nan 4.420 nan 0.000 0.217 116 P C 0.030 177.093 177.300 -0.394 0.000 1.148 116 P CA 1.534 64.490 63.100 -0.241 0.000 0.834 116 P CB 0.101 31.608 31.700 -0.322 0.000 0.783 117 Y N -2.662 117.859 120.300 0.369 0.000 2.675 117 Y HA 0.263 4.813 4.550 -0.000 0.000 0.248 117 Y C 0.196 176.075 175.900 -0.036 0.000 1.161 117 Y CA -0.994 57.190 58.100 0.140 0.000 1.203 117 Y CB 0.002 38.547 38.460 0.141 0.000 1.262 117 Y HN -0.153 nan 8.280 nan 0.000 0.544 118 D N 1.508 121.896 120.400 -0.020 0.000 2.295 118 D HA 0.440 5.080 4.640 0.000 0.000 0.248 118 D C -0.147 176.103 176.300 -0.083 0.000 1.154 118 D CA 0.170 54.061 54.000 -0.181 0.000 0.857 118 D CB 0.751 41.376 40.800 -0.293 0.000 1.117 118 D HN 0.159 nan 8.370 nan 0.000 0.468 119 S N 1.681 117.342 115.700 -0.063 0.000 2.615 119 S HA 0.784 5.254 4.470 0.000 0.000 0.269 119 S C 0.156 174.744 174.600 -0.020 0.000 1.161 119 S CA -0.792 57.384 58.200 -0.041 0.000 0.817 119 S CB 0.953 64.145 63.200 -0.013 0.000 1.131 119 S HN 0.454 nan 8.310 nan 0.000 0.467 120 G N -0.081 108.709 108.800 -0.017 0.000 2.580 120 G HA2 0.517 4.477 3.960 0.000 0.000 0.278 120 G HA3 0.517 4.477 3.960 0.000 0.000 0.278 120 G C -0.891 174.050 174.900 0.069 0.000 1.212 120 G CA -0.318 44.798 45.100 0.026 0.000 0.939 120 G HN 0.878 nan 8.290 nan 0.000 0.513 121 H N 0.417 119.482 119.070 -0.008 0.000 2.744 121 H HA 0.229 4.785 4.556 0.000 0.000 0.339 121 H C 1.025 176.313 175.328 -0.066 0.000 1.004 121 H CA -0.706 55.312 56.048 -0.049 0.000 1.257 121 H CB 1.843 31.595 29.762 -0.018 0.000 1.552 121 H HN 0.382 nan 8.280 nan 0.000 0.522 122 I N 4.036 124.467 120.570 -0.231 0.000 2.185 122 I HA -0.347 3.823 4.170 0.000 0.000 0.246 122 I C 1.973 178.139 176.117 0.082 0.000 1.088 122 I CA 2.013 63.236 61.300 -0.128 0.000 1.347 122 I CB -0.084 37.731 38.000 -0.309 0.000 1.041 122 I HN 0.717 nan 8.210 nan 0.000 0.415 123 A N -0.138 122.851 122.820 0.283 0.000 2.067 123 A HA -0.157 4.163 4.320 0.000 0.000 0.219 123 A C 2.113 179.793 177.584 0.160 0.000 1.158 123 A CA 1.257 53.497 52.037 0.339 0.000 0.661 123 A CB -0.309 18.952 19.000 0.435 0.000 0.801 123 A HN 0.445 nan 8.150 nan 0.000 0.452 124 M N -0.903 118.785 119.600 0.147 0.000 2.287 124 M HA -0.008 4.472 4.480 0.000 0.000 0.266 124 M C 2.036 178.293 176.300 -0.073 0.000 1.079 124 M CA 1.562 56.853 55.300 -0.016 0.000 1.146 124 M CB -1.932 30.683 32.600 0.026 0.000 1.374 124 M HN 0.330 nan 8.290 nan 0.000 0.435 125 T N 0.455 115.031 114.554 0.037 0.000 2.746 125 T HA -0.171 4.179 4.350 0.000 0.000 0.267 125 T C 1.693 176.297 174.700 -0.159 0.000 1.039 125 T CA 1.460 63.563 62.100 0.005 0.000 1.142 125 T CB -0.459 68.472 68.868 0.105 0.000 0.866 125 T HN 0.351 nan 8.240 nan 0.000 0.444 126 Y N 2.992 123.174 120.300 -0.197 0.000 2.070 126 Y HA -0.203 4.347 4.550 0.000 0.000 0.279 126 Y C 2.723 178.418 175.900 -0.342 0.000 1.134 126 Y CA 1.939 59.890 58.100 -0.248 0.000 1.113 126 Y CB -1.262 37.075 38.460 -0.205 0.000 0.981 126 Y HN 0.295 nan 8.280 nan 0.000 0.487 127 T N -1.944 112.070 114.554 -0.899 0.000 2.833 127 T HA -0.055 4.295 4.350 0.000 0.000 0.269 127 T C 2.206 176.530 174.700 -0.627 0.000 1.054 127 T CA 1.138 62.610 62.100 -1.047 0.000 1.135 127 T CB -1.385 67.002 68.868 -0.802 0.000 0.869 127 T HN 0.447 nan 8.240 nan 0.000 0.466 128 G N 1.941 110.381 108.800 -0.600 0.000 2.453 128 G HA2 -0.051 3.909 3.960 0.000 0.000 0.215 128 G HA3 -0.051 3.909 3.960 0.000 0.000 0.215 128 G C 1.503 175.962 174.900 -0.735 0.000 1.201 128 G CA 0.746 45.392 45.100 -0.757 0.000 0.784 128 G HN 0.504 nan 8.290 nan 0.000 0.545 129 L N 0.587 121.387 121.223 -0.704 0.000 2.042 129 L HA -0.133 4.207 4.340 0.000 0.000 0.210 129 L C 3.116 179.829 176.870 -0.263 0.000 1.076 129 L CA 1.421 56.013 54.840 -0.414 0.000 0.749 129 L CB -0.525 41.393 42.059 -0.235 0.000 0.893 129 L HN 0.357 nan 8.230 nan 0.000 0.432 130 S N -0.955 114.566 115.700 -0.298 0.000 2.370 130 S HA -0.231 4.239 4.470 0.000 0.000 0.226 130 S C 2.168 176.710 174.600 -0.096 0.000 1.033 130 S CA 1.648 59.736 58.200 -0.186 0.000 1.011 130 S CB -0.319 62.653 63.200 -0.379 0.000 0.852 130 S HN 0.507 nan 8.310 nan 0.000 0.457 131 C N 0.966 120.181 119.300 -0.142 0.000 2.446 131 C HA 0.081 4.541 4.460 0.000 0.000 0.277 131 C C 2.528 177.454 174.990 -0.106 0.000 1.275 131 C CA 0.564 59.528 59.018 -0.090 0.000 1.727 131 C CB -1.546 26.133 27.740 -0.100 0.000 2.010 131 C HN 0.590 nan 8.230 nan 0.000 0.486 132 L N 0.368 121.491 121.223 -0.167 0.000 2.042 132 L HA -0.187 4.153 4.340 0.000 0.000 0.210 132 L C 2.372 179.214 176.870 -0.047 0.000 1.076 132 L CA 1.646 56.408 54.840 -0.130 0.000 0.749 132 L CB -0.530 41.408 42.059 -0.202 0.000 0.893 132 L HN 0.365 nan 8.230 nan 0.000 0.432 133 I N -0.306 120.237 120.570 -0.045 0.000 2.226 133 I HA -0.309 3.861 4.170 0.000 0.000 0.245 133 I C 2.399 178.503 176.117 -0.021 0.000 1.100 133 I CA 1.413 62.702 61.300 -0.018 0.000 1.374 133 I CB -0.213 37.775 38.000 -0.020 0.000 1.057 133 I HN 0.191 nan 8.210 nan 0.000 0.413 134 I N 0.524 121.075 120.570 -0.031 0.000 2.286 134 I HA -0.277 3.893 4.170 0.000 0.000 0.248 134 I C 2.169 178.267 176.117 -0.032 0.000 1.115 134 I CA 1.442 62.720 61.300 -0.038 0.000 1.392 134 I CB -0.247 37.713 38.000 -0.068 0.000 1.065 134 I HN 0.217 nan 8.210 nan 0.000 0.418 135 L N 0.384 121.591 121.223 -0.027 0.000 2.610 135 L HA 0.079 4.419 4.340 0.000 0.000 0.232 135 L C 1.629 178.506 176.870 0.012 0.000 1.149 135 L CA 0.731 55.566 54.840 -0.008 0.000 0.872 135 L CB -0.425 41.635 42.059 0.001 0.000 0.992 135 L HN 0.544 nan 8.230 nan 0.000 0.447 136 G N 0.012 108.820 108.800 0.012 0.000 2.176 136 G HA2 -0.312 3.648 3.960 0.000 0.000 0.232 136 G HA3 -0.312 3.648 3.960 0.000 0.000 0.232 136 G C 0.098 175.030 174.900 0.052 0.000 0.986 136 G CA 0.219 45.334 45.100 0.025 0.000 0.643 136 G HN 0.446 nan 8.290 nan 0.000 0.522 137 D N 0.528 120.970 120.400 0.070 0.000 2.368 137 D HA 0.414 5.054 4.640 0.000 0.000 0.240 137 D C 1.363 177.745 176.300 0.137 0.000 1.169 137 D CA 0.508 54.582 54.000 0.124 0.000 0.906 137 D CB 0.530 41.426 40.800 0.160 0.000 1.187 137 D HN 0.256 nan 8.370 nan 0.000 0.435 138 D N 1.647 122.155 120.400 0.180 0.000 2.363 138 D HA 0.046 4.686 4.640 0.000 0.000 0.214 138 D C 0.638 177.142 176.300 0.339 0.000 1.093 138 D CA -0.249 53.889 54.000 0.230 0.000 0.837 138 D CB -0.043 40.884 40.800 0.212 0.000 0.948 138 D HN 0.314 nan 8.370 nan 0.000 0.507 139 L N 0.316 121.723 121.223 0.307 0.000 4.429 139 L HA -0.280 4.060 4.340 0.000 0.000 0.422 139 L C 1.707 178.696 176.870 0.199 0.000 1.149 139 L CA 0.992 56.022 54.840 0.316 0.000 0.972 139 L CB -2.979 39.299 42.059 0.365 0.000 2.059 139 L HN 0.334 nan 8.230 nan 0.000 0.870 140 S N -1.556 114.232 115.700 0.146 0.000 2.423 140 S HA -0.082 4.388 4.470 0.000 0.000 0.231 140 S C 1.695 176.272 174.600 -0.039 0.000 1.014 140 S CA 1.098 59.309 58.200 0.017 0.000 0.965 140 S CB -0.174 63.035 63.200 0.015 0.000 0.785 140 S HN 0.635 nan 8.310 nan 0.000 0.495 141 R N 0.684 121.150 120.500 -0.057 0.000 2.310 141 R HA 0.302 4.642 4.340 0.000 0.000 0.202 141 R C -0.525 175.772 176.300 -0.006 0.000 0.933 141 R CA -0.052 55.909 56.100 -0.231 0.000 1.054 141 R CB 0.141 29.938 30.300 -0.838 0.000 0.985 141 R HN 0.255 nan 8.270 nan 0.000 0.489 142 V N 1.931 121.949 119.914 0.173 0.000 2.432 142 V HA 0.002 4.122 4.120 0.000 0.000 0.271 142 V C 0.192 176.304 176.094 0.030 0.000 1.046 142 V CA -0.559 61.865 62.300 0.207 0.000 0.945 142 V CB 1.342 33.314 31.823 0.249 0.000 0.992 142 V HN 0.094 nan 8.190 nan 0.000 0.471 143 D N 5.001 125.396 120.400 -0.009 0.000 2.508 143 D HA 0.095 4.735 4.640 0.000 0.000 0.224 143 D C 1.254 177.524 176.300 -0.050 0.000 1.171 143 D CA -0.036 53.929 54.000 -0.058 0.000 1.006 143 D CB 0.501 41.254 40.800 -0.079 0.000 1.073 143 D HN 0.525 nan 8.370 nan 0.000 0.513 144 K N 1.602 121.958 120.400 -0.073 0.000 2.059 144 K HA -0.189 4.131 4.320 0.000 0.000 0.212 144 K C 1.502 178.060 176.600 -0.070 0.000 1.050 144 K CA 1.014 57.252 56.287 -0.081 0.000 0.927 144 K CB 0.223 32.625 32.500 -0.162 0.000 0.714 144 K HN 0.330 nan 8.250 nan 0.000 0.447 145 E N 0.512 120.665 120.200 -0.078 0.000 2.110 145 E HA -0.150 4.200 4.350 0.000 0.000 0.193 145 E C 2.055 178.625 176.600 -0.050 0.000 0.988 145 E CA 1.177 57.540 56.400 -0.062 0.000 0.804 145 E CB -0.217 29.445 29.700 -0.063 0.000 0.745 145 E HN 0.361 nan 8.360 nan 0.000 0.458 146 A N 0.761 123.549 122.820 -0.054 0.000 1.898 146 A HA -0.169 4.151 4.320 0.000 0.000 0.216 146 A C 2.637 180.197 177.584 -0.040 0.000 1.181 146 A CA 1.348 53.353 52.037 -0.052 0.000 0.620 146 A CB -0.895 18.064 19.000 -0.069 0.000 0.819 146 A HN 0.340 nan 8.150 nan 0.000 0.442 147 C N -0.630 118.653 119.300 -0.027 0.000 2.432 147 C HA -0.069 4.391 4.460 0.000 0.000 0.277 147 C C 2.644 177.628 174.990 -0.011 0.000 1.249 147 C CA 1.057 60.074 59.018 -0.002 0.000 1.725 147 C CB -1.537 26.227 27.740 0.039 0.000 2.028 147 C HN 0.623 nan 8.230 nan 0.000 0.477 148 L N 1.033 122.242 121.223 -0.024 0.000 2.083 148 L HA -0.140 4.200 4.340 0.000 0.000 0.209 148 L C 2.859 179.727 176.870 -0.004 0.000 1.083 148 L CA 1.507 56.334 54.840 -0.022 0.000 0.752 148 L CB -0.771 41.268 42.059 -0.034 0.000 0.899 148 L HN 0.344 nan 8.230 nan 0.000 0.433 149 A N 0.420 123.232 122.820 -0.013 0.000 1.898 149 A HA -0.098 4.223 4.320 0.000 0.000 0.216 149 A C 2.427 180.008 177.584 -0.005 0.000 1.181 149 A CA 1.650 53.681 52.037 -0.011 0.000 0.620 149 A CB -1.197 17.789 19.000 -0.023 0.000 0.819 149 A HN 0.423 nan 8.150 nan 0.000 0.442 150 G N -0.397 108.397 108.800 -0.010 0.000 2.418 150 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 150 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 150 G C 1.587 176.496 174.900 0.016 0.000 1.158 150 G CA 0.924 46.019 45.100 -0.008 0.000 0.771 150 G HN 0.406 nan 8.290 nan 0.000 0.545 151 L N -0.208 121.033 121.223 0.030 0.000 1.989 151 L HA -0.074 4.266 4.340 0.000 0.000 0.211 151 L C 3.223 180.195 176.870 0.170 0.000 1.071 151 L CA 1.290 56.180 54.840 0.083 0.000 0.749 151 L CB -0.287 41.796 42.059 0.039 0.000 0.890 151 L HN 0.201 nan 8.230 nan 0.000 0.431 152 R N -0.565 120.000 120.500 0.108 0.000 2.103 152 R HA -0.221 4.119 4.340 0.000 0.000 0.242 152 R C 2.184 178.499 176.300 0.025 0.000 1.142 152 R CA 1.520 57.668 56.100 0.081 0.000 0.960 152 R CB -0.483 29.840 30.300 0.039 0.000 0.858 152 R HN 0.455 nan 8.270 nan 0.000 0.439 153 A N 0.749 123.578 122.820 0.015 0.000 2.070 153 A HA -0.101 4.219 4.320 0.000 0.000 0.220 153 A C 2.014 179.584 177.584 -0.023 0.000 1.159 153 A CA 1.073 53.102 52.037 -0.014 0.000 0.656 153 A CB -0.331 18.660 19.000 -0.015 0.000 0.800 153 A HN 0.214 nan 8.150 nan 0.000 0.453 154 L N -0.948 120.289 121.223 0.022 0.000 2.418 154 L HA 0.018 4.358 4.340 0.000 0.000 0.218 154 L C 1.422 178.226 176.870 -0.110 0.000 1.125 154 L CA 0.067 54.926 54.840 0.031 0.000 0.835 154 L CB -0.245 41.907 42.059 0.154 0.000 0.953 154 L HN 0.511 nan 8.230 nan 0.000 0.454 155 Q N 1.442 121.036 119.800 -0.343 0.000 2.304 155 Q HA 0.309 4.649 4.340 0.000 0.000 0.260 155 Q C -0.496 175.253 176.000 -0.417 0.000 0.965 155 Q CA -0.140 55.174 55.803 -0.815 0.000 0.898 155 Q CB 0.901 29.043 28.738 -0.992 0.000 1.196 155 Q HN 0.240 nan 8.270 nan 0.000 0.402 156 L N 2.589 123.580 121.223 -0.386 0.000 2.448 156 L HA 0.292 4.632 4.340 0.000 0.000 0.258 156 L C 1.835 178.601 176.870 -0.173 0.000 1.104 156 L CA 0.116 54.830 54.840 -0.210 0.000 0.800 156 L CB 0.285 42.252 42.059 -0.153 0.000 1.241 156 L HN 0.898 nan 8.230 nan 0.000 0.472 157 E N 0.748 120.890 120.200 -0.097 0.000 2.118 157 E HA -0.250 4.100 4.350 0.000 0.000 0.195 157 E C 1.306 177.882 176.600 -0.040 0.000 0.992 157 E CA 1.601 57.964 56.400 -0.062 0.000 0.804 157 E CB -0.868 28.812 29.700 -0.032 0.000 0.741 157 E HN 0.883 nan 8.360 nan 0.000 0.458 158 D N -1.925 118.463 120.400 -0.020 0.000 2.378 158 D HA 0.218 4.858 4.640 0.000 0.000 0.227 158 D C 1.505 177.846 176.300 0.069 0.000 1.012 158 D CA 1.198 55.234 54.000 0.059 0.000 0.905 158 D CB -0.064 40.823 40.800 0.145 0.000 0.895 158 D HN 0.882 nan 8.370 nan 0.000 0.532 159 G N -0.269 108.482 108.800 -0.082 0.000 2.234 159 G HA2 -0.289 3.671 3.960 0.000 0.000 0.235 159 G HA3 -0.289 3.671 3.960 0.000 0.000 0.235 159 G C 0.540 175.263 174.900 -0.295 0.000 0.997 159 G CA 0.442 45.472 45.100 -0.115 0.000 0.623 159 G HN 0.837 nan 8.290 nan 0.000 0.514 160 S N -0.229 115.148 115.700 -0.539 0.000 2.661 160 S HA 0.822 5.292 4.470 0.000 0.000 0.265 160 S C -0.157 174.213 174.600 -0.382 0.000 1.225 160 S CA -0.359 57.444 58.200 -0.661 0.000 0.986 160 S CB 1.274 63.702 63.200 -1.287 0.000 1.008 160 S HN 0.546 nan 8.310 nan 0.000 0.565 161 F N -1.262 118.598 119.950 -0.150 0.000 2.593 161 F HA 0.596 5.123 4.527 0.000 0.000 0.320 161 F C 0.372 176.225 175.800 0.088 0.000 1.060 161 F CA -1.030 56.959 58.000 -0.019 0.000 0.940 161 F CB 1.473 40.485 39.000 0.021 0.000 1.268 161 F HN 0.663 nan 8.300 nan 0.000 0.475 162 C N 0.522 119.926 119.300 0.173 0.000 2.345 162 C HA 0.691 5.151 4.460 0.000 0.000 0.370 162 C C 1.478 176.282 174.990 -0.309 0.000 1.209 162 C CA -0.038 59.003 59.018 0.038 0.000 2.133 162 C CB 1.344 29.072 27.740 -0.021 0.000 2.293 162 C HN 0.976 nan 8.230 nan 0.000 0.544 163 A N 0.513 122.939 122.820 -0.657 0.000 1.984 163 A HA 0.364 4.684 4.320 0.000 0.000 0.214 163 A C 0.585 177.760 177.584 -0.682 0.000 1.173 163 A CA 1.186 52.542 52.037 -1.135 0.000 0.673 163 A CB -0.180 17.898 19.000 -1.536 0.000 0.830 163 A HN 1.256 nan 8.150 nan 0.000 0.453 164 V N -4.787 114.910 119.914 -0.362 0.000 2.925 164 V HA 0.500 4.620 4.120 0.000 0.000 0.311 164 V C -2.331 173.711 176.094 -0.086 0.000 1.104 164 V CA -1.657 60.536 62.300 -0.178 0.000 0.954 164 V CB 1.832 33.607 31.823 -0.080 0.000 1.022 164 V HN 0.073 nan 8.190 nan 0.000 0.427 165 P HA -0.127 nan 4.420 nan 0.000 0.219 165 P C 0.893 178.187 177.300 -0.009 0.000 1.146 165 P CA 1.400 64.482 63.100 -0.030 0.000 0.808 165 P CB 0.414 32.098 31.700 -0.027 0.000 0.779 166 E N -0.248 119.960 120.200 0.012 0.000 2.418 166 E HA 0.238 4.588 4.350 0.000 0.000 0.197 166 E C 1.116 177.736 176.600 0.034 0.000 1.026 166 E CA 0.821 57.246 56.400 0.041 0.000 0.862 166 E CB -0.621 29.133 29.700 0.090 0.000 0.799 166 E HN 0.362 nan 8.360 nan 0.000 0.518 167 G N -0.380 108.428 108.800 0.013 0.000 2.674 167 G HA2 0.202 4.162 3.960 0.000 0.000 0.686 167 G HA3 0.202 4.162 3.960 0.000 0.000 0.686 167 G C -0.242 174.675 174.900 0.028 0.000 1.195 167 G CA -0.466 44.644 45.100 0.017 0.000 0.776 167 G HN 0.617 nan 8.290 nan 0.000 0.654 168 S N -0.487 115.236 115.700 0.039 0.000 2.671 168 S HA 0.738 5.208 4.470 0.000 0.000 0.270 168 S C -0.446 174.222 174.600 0.113 0.000 1.166 168 S CA 0.094 58.339 58.200 0.075 0.000 0.868 168 S CB 1.339 64.574 63.200 0.058 0.000 1.190 168 S HN 2.087 nan 8.310 nan 0.000 0.494 169 E N 1.516 121.817 120.200 0.168 0.000 2.392 169 E HA 0.292 4.642 4.350 0.000 0.000 0.259 169 E C -0.834 175.917 176.600 0.252 0.000 1.108 169 E CA -0.377 56.125 56.400 0.170 0.000 0.916 169 E CB 0.043 29.834 29.700 0.152 0.000 0.989 169 E HN 0.738 nan 8.360 nan 0.000 0.432 170 N N 0.887 119.688 118.700 0.169 0.000 2.295 170 N HA 0.389 5.129 4.740 0.000 0.000 0.293 170 N C -1.370 174.181 175.510 0.069 0.000 1.040 170 N CA -0.543 52.615 53.050 0.180 0.000 0.840 170 N CB 2.055 40.593 38.487 0.085 0.000 1.468 170 N HN 0.630 nan 8.380 nan 0.000 0.478 171 D N -0.160 120.238 120.400 -0.003 0.000 2.792 171 D HA 0.132 4.772 4.640 0.000 0.000 0.335 171 D C 0.670 176.960 176.300 -0.017 0.000 1.353 171 D CA -0.683 53.314 54.000 -0.005 0.000 0.839 171 D CB 0.511 41.268 40.800 -0.071 0.000 1.396 171 D HN 0.194 nan 8.370 nan 0.000 0.479 172 M N 0.092 119.760 119.600 0.113 0.000 2.144 172 M HA 0.006 4.486 4.480 0.000 0.000 0.260 172 M C 1.835 178.145 176.300 0.016 0.000 1.067 172 M CA 1.837 57.217 55.300 0.133 0.000 1.095 172 M CB -0.416 32.247 32.600 0.105 0.000 1.365 172 M HN 0.469 nan 8.290 nan 0.000 0.406 173 R N -1.311 119.093 120.500 -0.160 0.000 2.096 173 R HA -0.180 4.160 4.340 0.000 0.000 0.240 173 R C 2.080 178.393 176.300 0.021 0.000 1.139 173 R CA 2.089 58.091 56.100 -0.163 0.000 0.952 173 R CB -0.749 29.293 30.300 -0.431 0.000 0.854 173 R HN 0.437 nan 8.270 nan 0.000 0.436 174 F N -0.400 119.592 119.950 0.070 0.000 2.456 174 F HA -0.079 4.448 4.527 0.000 0.000 0.298 174 F C 2.235 177.956 175.800 -0.132 0.000 1.104 174 F CA -0.134 57.863 58.000 -0.004 0.000 1.435 174 F CB 0.022 39.045 39.000 0.038 0.000 1.078 174 F HN -0.168 nan 8.300 nan 0.000 0.546 175 V N -0.384 119.607 119.914 0.128 0.000 2.358 175 V HA -0.321 3.799 4.120 0.000 0.000 0.246 175 V C 2.033 178.107 176.094 -0.033 0.000 1.047 175 V CA 1.748 64.079 62.300 0.052 0.000 1.035 175 V CB -0.750 31.192 31.823 0.199 0.000 0.658 175 V HN 0.383 nan 8.190 nan 0.000 0.452 176 Y N 0.309 120.569 120.300 -0.068 0.000 2.200 176 Y HA -0.257 4.293 4.550 0.000 0.000 0.290 176 Y C 2.532 178.292 175.900 -0.234 0.000 1.137 176 Y CA 1.626 59.661 58.100 -0.108 0.000 1.163 176 Y CB -0.712 37.721 38.460 -0.046 0.000 0.988 176 Y HN 0.242 nan 8.280 nan 0.000 0.518 177 C N 0.343 119.451 119.300 -0.320 0.000 2.432 177 C HA -0.132 4.328 4.460 0.000 0.000 0.277 177 C C 3.081 177.777 174.990 -0.490 0.000 1.249 177 C CA 1.245 59.966 59.018 -0.496 0.000 1.725 177 C CB -1.756 25.923 27.740 -0.102 0.000 2.028 177 C HN 0.735 nan 8.230 nan 0.000 0.477 178 A N 0.481 122.989 122.820 -0.520 0.000 1.883 178 A HA -0.179 4.141 4.320 0.000 0.000 0.217 178 A C 2.261 179.581 177.584 -0.441 0.000 1.186 178 A CA 2.410 54.068 52.037 -0.632 0.000 0.624 178 A CB -0.871 17.296 19.000 -1.389 0.000 0.822 178 A HN 0.565 nan 8.150 nan 0.000 0.444 179 S N -0.875 114.622 115.700 -0.339 0.000 2.359 179 S HA -0.214 4.256 4.470 0.000 0.000 0.224 179 S C 1.959 176.369 174.600 -0.316 0.000 1.035 179 S CA 1.482 59.590 58.200 -0.153 0.000 1.018 179 S CB -0.755 62.466 63.200 0.036 0.000 0.876 179 S HN 0.718 nan 8.310 nan 0.000 0.448 180 C N 1.290 120.298 119.300 -0.486 0.000 2.429 180 C HA 0.007 4.467 4.460 0.000 0.000 0.277 180 C C 2.449 177.320 174.990 -0.198 0.000 1.262 180 C CA 0.270 59.052 59.018 -0.393 0.000 1.733 180 C CB -1.384 25.926 27.740 -0.717 0.000 2.010 180 C HN 0.546 nan 8.230 nan 0.000 0.483 181 I N 0.031 120.451 120.570 -0.251 0.000 2.142 181 I HA -0.240 3.930 4.170 0.000 0.000 0.240 181 I C 2.591 178.552 176.117 -0.260 0.000 1.078 181 I CA 1.483 62.680 61.300 -0.172 0.000 1.343 181 I CB -0.554 37.346 38.000 -0.165 0.000 1.046 181 I HN 0.362 nan 8.210 nan 0.000 0.405 182 C N -0.214 118.796 119.300 -0.484 0.000 2.413 182 C HA -0.235 4.225 4.460 0.000 0.000 0.276 182 C C 2.800 177.262 174.990 -0.880 0.000 1.248 182 C CA 0.767 59.293 59.018 -0.820 0.000 1.742 182 C CB -1.052 25.853 27.740 -1.393 0.000 2.017 182 C HN 0.508 nan 8.230 nan 0.000 0.481 183 Y N 0.953 120.782 120.300 -0.785 0.000 2.145 183 Y HA -0.184 4.366 4.550 0.000 0.000 0.286 183 Y C 2.505 178.386 175.900 -0.032 0.000 1.145 183 Y CA 1.789 59.721 58.100 -0.280 0.000 1.148 183 Y CB -0.381 38.057 38.460 -0.037 0.000 0.981 183 Y HN 0.233 nan 8.280 nan 0.000 0.507 184 M N -0.609 119.072 119.600 0.135 0.000 2.175 184 M HA -0.191 4.289 4.480 0.000 0.000 0.264 184 M C 1.686 178.141 176.300 0.258 0.000 1.063 184 M CA 1.445 56.871 55.300 0.209 0.000 1.119 184 M CB -0.253 32.434 32.600 0.146 0.000 1.377 184 M HN 0.252 nan 8.290 nan 0.000 0.415 185 L N -0.044 121.225 121.223 0.078 0.000 2.599 185 L HA 0.026 4.366 4.340 0.000 0.000 0.230 185 L C 0.443 177.323 176.870 0.017 0.000 1.141 185 L CA -0.193 54.720 54.840 0.121 0.000 0.877 185 L CB -0.868 41.177 42.059 -0.023 0.000 1.009 185 L HN 0.434 nan 8.230 nan 0.000 0.447 186 N N 2.116 120.680 118.700 -0.227 0.000 2.707 186 N HA -0.271 4.469 4.740 0.000 0.000 0.253 186 N C -0.487 174.902 175.510 -0.202 0.000 0.998 186 N CA 0.452 53.245 53.050 -0.428 0.000 0.751 186 N CB -0.872 37.070 38.487 -0.908 0.000 0.920 186 N HN 0.477 nan 8.380 nan 0.000 0.539 187 N N -0.032 118.514 118.700 -0.258 0.000 2.578 187 N HA 0.170 4.910 4.740 0.000 0.000 0.282 187 N C -0.854 174.520 175.510 -0.227 0.000 1.119 187 N CA -0.556 52.419 53.050 -0.124 0.000 0.948 187 N CB 0.065 38.499 38.487 -0.089 0.000 1.546 187 N HN 0.270 nan 8.380 nan 0.000 0.525 188 W N 1.968 123.268 121.300 0.000 0.000 3.400 188 W HA 0.172 4.832 4.660 0.000 0.000 0.347 188 W C 1.824 178.359 176.519 0.027 0.000 1.218 188 W CA -0.129 57.228 57.345 0.021 0.000 1.837 188 W CB 0.092 29.569 29.460 0.028 0.000 1.067 188 W HN 0.659 nan 8.180 nan 0.000 0.701 189 S N -1.278 114.503 115.700 0.135 0.000 2.555 189 S HA -0.000 4.470 4.470 0.000 0.000 0.230 189 S C 1.942 176.590 174.600 0.080 0.000 0.978 189 S CA 0.847 59.106 58.200 0.099 0.000 0.934 189 S CB -0.413 62.818 63.200 0.051 0.000 0.766 189 S HN 0.265 nan 8.310 nan 0.000 0.533 190 G N 1.350 110.185 108.800 0.059 0.000 2.598 190 G HA2 0.308 4.268 3.960 0.000 0.000 0.215 190 G HA3 0.308 4.268 3.960 0.000 0.000 0.215 190 G C 0.366 175.363 174.900 0.161 0.000 1.131 190 G CA 0.570 45.703 45.100 0.056 0.000 0.785 190 G HN 0.751 nan 8.290 nan 0.000 0.539 191 M N -2.282 117.448 119.600 0.217 0.000 2.644 191 M HA 0.483 4.963 4.480 0.000 0.000 0.273 191 M C -2.174 174.255 176.300 0.216 0.000 1.253 191 M CA -1.034 54.447 55.300 0.302 0.000 0.852 191 M CB 2.104 35.004 32.600 0.501 0.000 1.708 191 M HN -0.177 nan 8.290 nan 0.000 0.471 192 D N 2.169 122.658 120.400 0.149 0.000 2.494 192 D HA 0.247 4.887 4.640 0.000 0.000 0.217 192 D C 0.677 177.045 176.300 0.113 0.000 1.153 192 D CA -0.150 53.904 54.000 0.090 0.000 0.954 192 D CB 0.851 41.665 40.800 0.023 0.000 1.034 192 D HN 0.844 nan 8.370 nan 0.000 0.518 193 M N 3.244 122.922 119.600 0.131 0.000 2.144 193 M HA -0.232 4.248 4.480 0.000 0.000 0.260 193 M C 1.839 178.167 176.300 0.048 0.000 1.067 193 M CA 1.568 56.930 55.300 0.103 0.000 1.095 193 M CB 0.148 32.766 32.600 0.029 0.000 1.365 193 M HN 0.253 nan 8.290 nan 0.000 0.406 194 K N 0.048 120.463 120.400 0.025 0.000 2.057 194 K HA -0.196 4.124 4.320 0.000 0.000 0.207 194 K C 1.879 178.490 176.600 0.019 0.000 1.049 194 K CA 1.567 57.857 56.287 0.005 0.000 0.931 194 K CB 0.001 32.499 32.500 -0.002 0.000 0.714 194 K HN 0.338 nan 8.250 nan 0.000 0.440 195 K N -0.305 120.112 120.400 0.030 0.000 2.155 195 K HA -0.051 4.269 4.320 0.000 0.000 0.203 195 K C 2.062 178.709 176.600 0.078 0.000 1.052 195 K CA 0.900 57.208 56.287 0.034 0.000 0.948 195 K CB 0.001 32.501 32.500 -0.000 0.000 0.728 195 K HN 0.190 nan 8.250 nan 0.000 0.448 196 A N 1.527 124.412 122.820 0.107 0.000 1.877 196 A HA -0.141 4.179 4.320 0.000 0.000 0.216 196 A C 2.050 179.733 177.584 0.166 0.000 1.186 196 A CA 1.213 53.361 52.037 0.185 0.000 0.620 196 A CB -0.533 18.626 19.000 0.266 0.000 0.822 196 A HN 0.167 nan 8.150 nan 0.000 0.443 197 I N -0.543 120.075 120.570 0.080 0.000 2.286 197 I HA -0.227 3.943 4.170 0.000 0.000 0.248 197 I C 2.828 178.943 176.117 -0.003 0.000 1.115 197 I CA 1.508 62.812 61.300 0.006 0.000 1.392 197 I CB -0.241 37.724 38.000 -0.057 0.000 1.065 197 I HN 0.430 nan 8.210 nan 0.000 0.418 198 S N 0.119 115.835 115.700 0.027 0.000 2.368 198 S HA -0.266 4.205 4.470 0.000 0.000 0.225 198 S C 2.170 176.802 174.600 0.052 0.000 1.030 198 S CA 1.309 59.521 58.200 0.020 0.000 0.999 198 S CB -0.420 62.799 63.200 0.031 0.000 0.844 198 S HN 0.500 nan 8.310 nan 0.000 0.459 199 Y N 1.775 122.076 120.300 0.002 0.000 2.181 199 Y HA -0.035 4.516 4.550 0.000 0.000 0.288 199 Y C 1.906 177.819 175.900 0.023 0.000 1.146 199 Y CA 1.786 59.897 58.100 0.018 0.000 1.164 199 Y CB -0.352 38.133 38.460 0.041 0.000 0.982 199 Y HN 0.299 nan 8.280 nan 0.000 0.515 200 I N -0.238 120.401 120.570 0.116 0.000 2.226 200 I HA -0.325 3.845 4.170 0.000 0.000 0.245 200 I C 2.538 178.658 176.117 0.005 0.000 1.100 200 I CA 1.412 62.745 61.300 0.055 0.000 1.374 200 I CB -0.442 37.612 38.000 0.091 0.000 1.057 200 I HN 0.164 nan 8.210 nan 0.000 0.413 201 R N 0.250 120.728 120.500 -0.038 0.000 2.073 201 R HA -0.120 4.221 4.340 0.000 0.000 0.234 201 R C 2.564 178.859 176.300 -0.009 0.000 1.134 201 R CA 1.277 57.374 56.100 -0.004 0.000 0.952 201 R CB -0.339 29.911 30.300 -0.083 0.000 0.850 201 R HN 0.172 nan 8.270 nan 0.000 0.433 202 R N 0.362 120.808 120.500 -0.090 0.000 2.293 202 R HA -0.038 4.302 4.340 0.000 0.000 0.219 202 R C 2.221 178.410 176.300 -0.186 0.000 1.091 202 R CA 1.222 57.246 56.100 -0.125 0.000 1.004 202 R CB -0.712 29.502 30.300 -0.144 0.000 0.865 202 R HN 0.539 nan 8.270 nan 0.000 0.469 203 S N -0.847 114.717 115.700 -0.228 0.000 2.548 203 S HA 0.136 4.606 4.470 0.000 0.000 0.215 203 S C 0.853 175.352 174.600 -0.169 0.000 0.976 203 S CA -0.169 57.886 58.200 -0.241 0.000 0.908 203 S CB -0.225 62.802 63.200 -0.289 0.000 0.781 203 S HN 0.476 nan 8.310 nan 0.000 0.519 204 M N 3.194 122.727 119.600 -0.112 0.000 2.246 204 M HA 0.232 4.712 4.480 0.000 0.000 0.350 204 M C 0.341 176.545 176.300 -0.160 0.000 1.406 204 M CA 0.023 55.235 55.300 -0.147 0.000 1.089 204 M CB 0.713 33.270 32.600 -0.072 0.000 1.782 204 M HN 0.326 nan 8.290 nan 0.000 0.457 205 S N 3.622 119.168 115.700 -0.257 0.000 2.655 205 S HA 0.187 4.657 4.470 0.000 0.000 0.265 205 S C 0.735 175.196 174.600 -0.231 0.000 1.240 205 S CA -0.420 57.625 58.200 -0.257 0.000 0.986 205 S CB 0.493 63.436 63.200 -0.429 0.000 0.985 205 S HN 0.750 nan 8.310 nan 0.000 0.562 206 Y N 0.702 120.961 120.300 -0.069 0.000 2.421 206 Y HA 0.073 4.623 4.550 0.000 0.000 0.292 206 Y C 1.476 177.361 175.900 -0.024 0.000 1.136 206 Y CA 1.245 59.321 58.100 -0.038 0.000 1.255 206 Y CB -0.742 37.706 38.460 -0.020 0.000 0.991 206 Y HN 0.639 nan 8.280 nan 0.000 0.552 207 D N -1.087 118.848 120.400 -0.776 0.000 2.328 207 D HA -0.047 4.593 4.640 0.000 0.000 0.226 207 D C 0.232 176.426 176.300 -0.176 0.000 1.066 207 D CA 0.430 54.214 54.000 -0.361 0.000 0.861 207 D CB -0.634 39.946 40.800 -0.366 0.000 0.912 207 D HN 0.447 nan 8.370 nan 0.000 0.521 208 N N -1.089 117.439 118.700 -0.287 0.000 2.984 208 N HA -0.096 4.644 4.740 0.000 0.000 0.227 208 N C 0.675 175.876 175.510 -0.515 0.000 0.903 208 N CA 1.156 54.038 53.050 -0.279 0.000 0.995 208 N CB -1.488 36.941 38.487 -0.097 0.000 1.065 208 N HN 0.493 nan 8.380 nan 0.000 0.585 209 G N -0.002 108.183 108.800 -1.025 0.000 2.557 209 G HA2 0.607 4.567 3.960 0.000 0.000 0.292 209 G HA3 0.607 4.567 3.960 0.000 0.000 0.292 209 G C -0.290 174.094 174.900 -0.860 0.000 1.237 209 G CA -0.352 43.826 45.100 -1.537 0.000 0.978 209 G HN 0.027 nan 8.290 nan 0.000 0.498 210 L N 0.224 121.020 121.223 -0.712 0.000 2.317 210 L HA 0.703 5.043 4.340 0.000 0.000 0.281 210 L C 0.760 177.436 176.870 -0.324 0.000 1.024 210 L CA -0.622 53.985 54.840 -0.388 0.000 0.810 210 L CB 1.206 43.125 42.059 -0.233 0.000 1.240 210 L HN 0.716 nan 8.230 nan 0.000 0.427 211 A N 1.996 124.678 122.820 -0.230 0.000 2.352 211 A HA 0.527 4.848 4.320 0.000 0.000 0.299 211 A C 0.755 178.278 177.584 -0.102 0.000 1.160 211 A CA -0.319 51.627 52.037 -0.152 0.000 0.933 211 A CB 0.636 19.554 19.000 -0.136 0.000 1.387 211 A HN 0.681 nan 8.150 nan 0.000 0.487 212 Q N -0.652 119.106 119.800 -0.070 0.000 2.224 212 Q HA 0.100 4.440 4.340 0.000 0.000 0.203 212 Q C 0.758 176.780 176.000 0.036 0.000 0.970 212 Q CA 1.415 57.200 55.803 -0.030 0.000 0.865 212 Q CB -0.052 28.656 28.738 -0.051 0.000 0.922 212 Q HN 0.905 nan 8.270 nan 0.000 0.445 213 G N -1.474 107.299 108.800 -0.045 0.000 2.576 213 G HA2 0.524 4.484 3.960 0.000 0.000 0.290 213 G HA3 0.524 4.484 3.960 0.000 0.000 0.290 213 G C -1.535 173.270 174.900 -0.158 0.000 1.442 213 G CA -0.381 44.651 45.100 -0.114 0.000 0.792 213 G HN 0.140 nan 8.290 nan 0.000 0.491 214 A N -0.788 121.910 122.820 -0.204 0.000 2.567 214 A HA 0.506 4.826 4.320 0.000 0.000 0.240 214 A C 1.777 179.326 177.584 -0.059 0.000 1.053 214 A CA 1.826 53.783 52.037 -0.132 0.000 0.755 214 A CB -0.413 18.521 19.000 -0.111 0.000 0.978 214 A HN 2.845 nan 8.150 nan 0.000 0.507 215 G N 0.894 109.670 108.800 -0.040 0.000 2.267 215 G HA2 -0.195 3.765 3.960 0.000 0.000 0.257 215 G HA3 -0.195 3.765 3.960 0.000 0.000 0.257 215 G C 0.166 175.071 174.900 0.009 0.000 0.998 215 G CA 0.428 45.528 45.100 0.001 0.000 0.620 215 G HN 0.778 nan 8.290 nan 0.000 0.529 216 L N 1.192 122.405 121.223 -0.017 0.000 2.466 216 L HA 0.489 4.829 4.340 0.000 0.000 0.257 216 L C 1.047 177.904 176.870 -0.021 0.000 1.189 216 L CA -0.674 54.159 54.840 -0.011 0.000 0.813 216 L CB 0.678 42.724 42.059 -0.022 0.000 1.118 216 L HN 0.458 nan 8.230 nan 0.000 0.471 217 E N 0.367 120.568 120.200 0.000 0.000 2.376 217 E HA 0.103 4.453 4.350 0.000 0.000 0.266 217 E C -0.332 176.241 176.600 -0.045 0.000 1.009 217 E CA -0.392 56.007 56.400 -0.001 0.000 0.902 217 E CB 0.666 30.395 29.700 0.047 0.000 0.972 217 E HN 0.638 nan 8.360 nan 0.000 0.439 218 S N 4.449 120.063 115.700 -0.143 0.000 2.568 218 S HA 0.068 4.538 4.470 0.000 0.000 0.282 218 S C -0.184 174.375 174.600 -0.069 0.000 1.338 218 S CA -0.470 57.559 58.200 -0.284 0.000 1.045 218 S CB 0.917 63.694 63.200 -0.704 0.000 0.873 218 S HN 0.656 nan 8.310 nan 0.000 0.516 219 H N 0.360 119.307 119.070 -0.205 0.000 2.930 219 H HA 0.371 4.927 4.556 0.000 0.000 0.371 219 H C 1.177 176.545 175.328 0.065 0.000 1.169 219 H CA -0.037 56.012 56.048 0.001 0.000 1.157 219 H CB 1.694 31.425 29.762 -0.051 0.000 1.789 219 H HN 0.736 nan 8.280 nan 0.000 0.547 220 G N 1.660 110.392 108.800 -0.114 0.000 2.442 220 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 220 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 220 G C 1.463 176.471 174.900 0.181 0.000 1.141 220 G CA 0.864 46.031 45.100 0.112 0.000 0.763 220 G HN 0.653 nan 8.290 nan 0.000 0.554 221 G N 0.922 109.872 108.800 0.249 0.000 2.404 221 G HA2 -0.157 3.803 3.960 0.000 0.000 0.215 221 G HA3 -0.157 3.803 3.960 0.000 0.000 0.215 221 G C 2.210 177.042 174.900 -0.113 0.000 1.174 221 G CA 1.787 46.770 45.100 -0.195 0.000 0.780 221 G HN 0.618 nan 8.290 nan 0.000 0.537 222 S N 0.075 115.767 115.700 -0.014 0.000 2.428 222 S HA -0.076 4.394 4.470 0.000 0.000 0.230 222 S C 2.216 176.791 174.600 -0.041 0.000 1.014 222 S CA 1.731 59.898 58.200 -0.054 0.000 0.957 222 S CB -0.554 62.608 63.200 -0.063 0.000 0.784 222 S HN 0.271 nan 8.310 nan 0.000 0.499 223 T N 2.090 116.625 114.554 -0.032 0.000 2.777 223 T HA 0.012 4.362 4.350 0.000 0.000 0.266 223 T C 1.275 175.979 174.700 0.007 0.000 1.040 223 T CA 1.351 63.416 62.100 -0.059 0.000 1.141 223 T CB -0.520 68.304 68.868 -0.073 0.000 0.868 223 T HN 0.492 nan 8.240 nan 0.000 0.444 224 F N 1.484 121.413 119.950 -0.035 0.000 2.102 224 F HA -0.158 4.369 4.527 0.000 0.000 0.298 224 F C 2.409 178.158 175.800 -0.085 0.000 1.105 224 F CA 0.715 58.696 58.000 -0.032 0.000 1.239 224 F CB -0.859 38.175 39.000 0.057 0.000 0.991 224 F HN 0.150 nan 8.300 nan 0.000 0.474 225 C N 0.955 120.123 119.300 -0.221 0.000 2.413 225 C HA -0.101 4.359 4.460 0.000 0.000 0.276 225 C C 3.097 178.008 174.990 -0.131 0.000 1.248 225 C CA 1.273 60.121 59.018 -0.283 0.000 1.742 225 C CB -1.964 25.738 27.740 -0.063 0.000 2.017 225 C HN 0.747 nan 8.230 nan 0.000 0.481 226 G N 0.589 109.350 108.800 -0.065 0.000 2.414 226 G HA2 -0.104 3.856 3.960 0.000 0.000 0.215 226 G HA3 -0.104 3.856 3.960 0.000 0.000 0.215 226 G C 1.380 176.286 174.900 0.010 0.000 1.188 226 G CA 0.711 45.824 45.100 0.021 0.000 0.783 226 G HN 0.349 nan 8.290 nan 0.000 0.537 227 I N 2.067 122.609 120.570 -0.047 0.000 2.179 227 I HA -0.135 4.035 4.170 0.000 0.000 0.242 227 I C 3.263 179.322 176.117 -0.096 0.000 1.088 227 I CA 1.262 62.545 61.300 -0.028 0.000 1.357 227 I CB -1.382 36.592 38.000 -0.045 0.000 1.051 227 I HN 0.260 nan 8.210 nan 0.000 0.409 228 A N 0.175 122.810 122.820 -0.309 0.000 1.933 228 A HA -0.158 4.162 4.320 0.000 0.000 0.218 228 A C 2.593 180.178 177.584 0.002 0.000 1.175 228 A CA 1.952 53.832 52.037 -0.260 0.000 0.628 228 A CB -0.680 17.873 19.000 -0.745 0.000 0.814 228 A HN 0.417 nan 8.150 nan 0.000 0.444 229 S N -0.066 115.669 115.700 0.058 0.000 2.356 229 S HA -0.101 4.369 4.470 0.000 0.000 0.223 229 S C 1.827 176.481 174.600 0.090 0.000 1.032 229 S CA 1.484 59.762 58.200 0.131 0.000 1.005 229 S CB -0.462 62.825 63.200 0.145 0.000 0.867 229 S HN 0.530 nan 8.310 nan 0.000 0.449 230 L N 0.672 121.925 121.223 0.050 0.000 2.083 230 L HA -0.167 4.173 4.340 0.000 0.000 0.209 230 L C 2.555 179.434 176.870 0.016 0.000 1.083 230 L CA 0.857 55.706 54.840 0.016 0.000 0.752 230 L CB -0.750 41.323 42.059 0.023 0.000 0.899 230 L HN 0.425 nan 8.230 nan 0.000 0.433 231 C N -0.656 118.666 119.300 0.036 0.000 2.446 231 C HA -0.121 4.339 4.460 0.000 0.000 0.277 231 C C 2.640 177.671 174.990 0.069 0.000 1.275 231 C CA 0.076 59.123 59.018 0.048 0.000 1.727 231 C CB -0.691 27.080 27.740 0.050 0.000 2.010 231 C HN 0.392 nan 8.230 nan 0.000 0.486 232 L N 0.350 121.621 121.223 0.079 0.000 2.131 232 L HA -0.068 4.272 4.340 0.000 0.000 0.210 232 L C 2.340 179.374 176.870 0.273 0.000 1.092 232 L CA 1.817 56.739 54.840 0.137 0.000 0.759 232 L CB -0.727 41.420 42.059 0.148 0.000 0.903 232 L HN 0.369 nan 8.230 nan 0.000 0.435 233 M N -1.592 118.016 119.600 0.013 0.000 2.558 233 M HA 0.173 4.653 4.480 0.000 0.000 0.255 233 M C 1.226 177.385 176.300 -0.234 0.000 1.113 233 M CA 0.765 55.817 55.300 -0.414 0.000 1.097 233 M CB -0.195 32.146 32.600 -0.432 0.000 1.426 233 M HN 0.339 nan 8.290 nan 0.000 0.488 234 G N 2.105 110.872 108.800 -0.055 0.000 2.272 234 G HA2 -0.258 3.702 3.960 0.000 0.000 0.280 234 G HA3 -0.258 3.702 3.960 0.000 0.000 0.280 234 G C 0.255 175.121 174.900 -0.056 0.000 1.067 234 G CA 0.236 45.323 45.100 -0.021 0.000 0.902 234 G HN 0.534 nan 8.290 nan 0.000 0.500 235 K N -0.705 119.656 120.400 -0.064 0.000 2.644 235 K HA 0.338 4.658 4.320 0.000 0.000 0.198 235 K C 1.947 178.517 176.600 -0.051 0.000 1.113 235 K CA -0.519 55.725 56.287 -0.073 0.000 1.073 235 K CB 0.279 32.708 32.500 -0.118 0.000 0.811 235 K HN 0.322 nan 8.250 nan 0.000 0.508 236 L N 1.347 122.568 121.223 -0.003 0.000 1.970 236 L HA -0.225 4.115 4.340 0.000 0.000 0.212 236 L C 1.810 178.716 176.870 0.059 0.000 1.071 236 L CA 1.830 56.700 54.840 0.050 0.000 0.751 236 L CB 0.036 42.143 42.059 0.080 0.000 0.889 236 L HN 0.332 nan 8.230 nan 0.000 0.432 237 E N -0.259 119.969 120.200 0.047 0.000 2.118 237 E HA -0.317 4.033 4.350 0.000 0.000 0.195 237 E C 1.895 178.507 176.600 0.021 0.000 0.992 237 E CA 1.537 57.966 56.400 0.048 0.000 0.804 237 E CB -0.241 29.480 29.700 0.035 0.000 0.741 237 E HN 0.600 nan 8.360 nan 0.000 0.458 238 E N 0.604 120.794 120.200 -0.017 0.000 2.152 238 E HA -0.107 4.243 4.350 0.000 0.000 0.192 238 E C 2.034 178.584 176.600 -0.084 0.000 0.983 238 E CA 0.730 57.104 56.400 -0.043 0.000 0.818 238 E CB 0.340 30.006 29.700 -0.056 0.000 0.758 238 E HN 0.022 nan 8.360 nan 0.000 0.467 239 V N 0.244 120.067 119.914 -0.151 0.000 2.446 239 V HA -0.004 4.116 4.120 0.000 0.000 0.244 239 V C 0.700 176.565 176.094 -0.382 0.000 1.039 239 V CA 0.968 63.070 62.300 -0.331 0.000 1.045 239 V CB -0.138 31.367 31.823 -0.529 0.000 0.681 239 V HN 0.100 nan 8.190 nan 0.000 0.459 240 F N 0.484 120.426 119.950 -0.012 0.000 2.469 240 F HA 0.481 5.008 4.527 0.000 0.000 0.332 240 F C 0.845 176.642 175.800 -0.004 0.000 1.103 240 F CA -0.752 57.242 58.000 -0.011 0.000 0.979 240 F CB 1.573 40.566 39.000 -0.012 0.000 1.137 240 F HN -0.020 nan 8.300 nan 0.000 0.463 241 S N 1.069 116.895 115.700 0.210 0.000 2.608 241 S HA 0.072 4.542 4.470 0.000 0.000 0.261 241 S C 1.106 175.765 174.600 0.098 0.000 1.314 241 S CA -0.469 57.799 58.200 0.113 0.000 0.992 241 S CB 1.273 64.522 63.200 0.082 0.000 0.935 241 S HN 0.878 nan 8.310 nan 0.000 0.564 242 E N 0.621 120.860 120.200 0.064 0.000 2.085 242 E HA -0.202 4.148 4.350 0.000 0.000 0.194 242 E C 2.067 178.689 176.600 0.036 0.000 0.994 242 E CA 1.435 57.864 56.400 0.050 0.000 0.801 242 E CB -0.194 29.529 29.700 0.038 0.000 0.743 242 E HN 0.580 nan 8.360 nan 0.000 0.453 243 K N 0.503 120.923 120.400 0.033 0.000 2.057 243 K HA -0.176 4.144 4.320 0.000 0.000 0.207 243 K C 1.851 178.455 176.600 0.008 0.000 1.049 243 K CA 1.860 58.159 56.287 0.021 0.000 0.931 243 K CB -0.366 32.148 32.500 0.022 0.000 0.714 243 K HN 0.411 nan 8.250 nan 0.000 0.440 244 E N 0.091 120.301 120.200 0.017 0.000 2.051 244 E HA -0.085 4.265 4.350 0.000 0.000 0.192 244 E C 2.232 178.761 176.600 -0.119 0.000 0.991 244 E CA 1.702 58.080 56.400 -0.037 0.000 0.799 244 E CB -0.222 29.508 29.700 0.049 0.000 0.748 244 E HN 0.333 nan 8.360 nan 0.000 0.449 245 L N 1.337 122.526 121.223 -0.056 0.000 2.131 245 L HA -0.202 4.138 4.340 0.000 0.000 0.210 245 L C 2.029 178.878 176.870 -0.035 0.000 1.092 245 L CA 0.651 55.453 54.840 -0.064 0.000 0.759 245 L CB -0.407 41.666 42.059 0.024 0.000 0.903 245 L HN 0.164 nan 8.230 nan 0.000 0.435 246 N N 0.200 118.894 118.700 -0.010 0.000 2.188 246 N HA -0.128 4.612 4.740 0.000 0.000 0.184 246 N C 1.903 177.414 175.510 0.002 0.000 1.018 246 N CA 1.082 54.136 53.050 0.005 0.000 0.858 246 N CB -0.167 38.326 38.487 0.009 0.000 0.989 246 N HN 0.357 nan 8.380 nan 0.000 0.426 247 R N 0.518 121.006 120.500 -0.020 0.000 2.092 247 R HA 0.094 4.434 4.340 0.000 0.000 0.231 247 R C 2.249 178.550 176.300 0.003 0.000 1.119 247 R CA 0.730 56.824 56.100 -0.011 0.000 0.970 247 R CB -0.241 30.038 30.300 -0.036 0.000 0.864 247 R HN 0.233 nan 8.270 nan 0.000 0.440 248 I N 1.115 121.644 120.570 -0.069 0.000 2.202 248 I HA -0.274 3.896 4.170 0.000 0.000 0.242 248 I C 2.105 178.269 176.117 0.077 0.000 1.091 248 I CA 1.427 62.691 61.300 -0.059 0.000 1.368 248 I CB -0.257 37.609 38.000 -0.222 0.000 1.058 248 I HN 0.119 nan 8.210 nan 0.000 0.410 249 K N 0.454 120.884 120.400 0.050 0.000 2.063 249 K HA -0.255 4.065 4.320 0.000 0.000 0.208 249 K C 2.250 178.913 176.600 0.106 0.000 1.048 249 K CA 1.544 57.885 56.287 0.090 0.000 0.928 249 K CB -0.257 32.288 32.500 0.075 0.000 0.713 249 K HN 0.076 nan 8.250 nan 0.000 0.442 250 R N 0.574 121.126 120.500 0.086 0.000 2.073 250 R HA -0.187 4.153 4.340 0.000 0.000 0.234 250 R C 1.865 178.217 176.300 0.086 0.000 1.134 250 R CA 1.694 57.835 56.100 0.068 0.000 0.952 250 R CB -0.820 29.511 30.300 0.052 0.000 0.850 250 R HN 0.398 nan 8.270 nan 0.000 0.433 251 W N -0.085 121.195 121.300 -0.033 0.000 2.355 251 W HA -0.225 4.435 4.660 0.000 0.000 0.309 251 W C 2.060 178.576 176.519 -0.005 0.000 1.206 251 W CA 1.805 59.126 57.345 -0.039 0.000 1.284 251 W CB -0.602 28.810 29.460 -0.081 0.000 1.145 251 W HN 0.163 nan 8.180 nan 0.000 0.502 252 C N -0.190 119.282 119.300 0.286 0.000 2.436 252 C HA -0.200 4.260 4.460 0.000 0.000 0.277 252 C C 2.679 177.703 174.990 0.056 0.000 1.241 252 C CA 1.211 60.339 59.018 0.183 0.000 1.721 252 C CB -1.546 26.345 27.740 0.253 0.000 2.043 252 C HN 0.451 nan 8.230 nan 0.000 0.472 253 I N 0.457 121.074 120.570 0.079 0.000 2.756 253 I HA -0.151 4.019 4.170 0.000 0.000 0.262 253 I C 2.043 178.139 176.117 -0.035 0.000 1.225 253 I CA 1.149 62.497 61.300 0.080 0.000 1.472 253 I CB -0.076 37.975 38.000 0.086 0.000 1.094 253 I HN 0.264 nan 8.210 nan 0.000 0.454 254 M N -0.237 119.285 119.600 -0.129 0.000 2.562 254 M HA -0.020 4.460 4.480 0.000 0.000 0.257 254 M C 1.737 177.877 176.300 -0.267 0.000 1.099 254 M CA 0.877 56.056 55.300 -0.201 0.000 1.099 254 M CB -0.876 31.583 32.600 -0.235 0.000 1.427 254 M HN 0.164 nan 8.290 nan 0.000 0.489 255 R N 0.356 120.702 120.500 -0.257 0.000 2.235 255 R HA 0.016 4.356 4.340 0.000 0.000 0.213 255 R C 0.910 176.948 176.300 -0.438 0.000 1.059 255 R CA 0.201 56.157 56.100 -0.239 0.000 0.997 255 R CB -0.659 29.609 30.300 -0.053 0.000 0.884 255 R HN 0.543 nan 8.270 nan 0.000 0.462 256 Q N 1.166 120.693 119.800 -0.454 0.000 2.296 256 Q HA -0.008 4.332 4.340 0.000 0.000 0.262 256 Q C 0.229 175.889 176.000 -0.567 0.000 0.981 256 Q CA 0.097 55.413 55.803 -0.811 0.000 0.905 256 Q CB 0.886 29.097 28.738 -0.879 0.000 1.186 256 Q HN -0.023 nan 8.270 nan 0.000 0.399 257 Q N 2.728 122.195 119.800 -0.555 0.000 2.431 257 Q HA 0.129 4.469 4.340 0.000 0.000 0.244 257 Q C 0.131 175.961 176.000 -0.284 0.000 0.880 257 Q CA 1.296 56.868 55.803 -0.385 0.000 0.954 257 Q CB 0.684 29.192 28.738 -0.384 0.000 1.105 257 Q HN 0.890 nan 8.270 nan 0.000 0.558 258 N N -1.065 117.446 118.700 -0.315 0.000 2.572 258 N HA 0.025 4.765 4.740 0.000 0.000 0.336 258 N C 0.774 176.161 175.510 -0.206 0.000 0.585 258 N CA 0.381 53.325 53.050 -0.177 0.000 1.330 258 N CB -0.291 38.154 38.487 -0.071 0.000 1.836 258 N HN 0.085 nan 8.380 nan 0.000 1.694 259 G N -0.985 107.635 108.800 -0.300 0.000 2.641 259 G HA2 0.574 4.534 3.960 0.000 0.000 0.239 259 G HA3 0.574 4.534 3.960 0.000 0.000 0.239 259 G C -1.430 173.274 174.900 -0.326 0.000 1.402 259 G CA -0.308 44.660 45.100 -0.221 0.000 1.046 259 G HN 0.137 nan 8.290 nan 0.000 0.565 260 Y N -0.698 119.545 120.300 -0.095 0.000 2.485 260 Y HA 0.443 4.993 4.550 0.000 0.000 0.345 260 Y C 0.671 176.616 175.900 0.075 0.000 0.998 260 Y CA -0.862 57.210 58.100 -0.046 0.000 1.059 260 Y CB 1.722 40.229 38.460 0.079 0.000 1.234 260 Y HN 0.721 nan 8.280 nan 0.000 0.461 261 H N -1.484 117.602 119.070 0.027 0.000 2.615 261 H HA 0.609 5.165 4.556 0.000 0.000 0.346 261 H C 0.501 175.469 175.328 -0.600 0.000 1.200 261 H CA -0.834 55.147 56.048 -0.111 0.000 1.264 261 H CB 1.918 31.607 29.762 -0.123 0.000 1.699 261 H HN 0.814 nan 8.280 nan 0.000 0.567 262 G N 0.034 108.246 108.800 -0.981 0.000 2.603 262 G HA2 0.072 4.032 3.960 0.000 0.000 0.214 262 G HA3 0.072 4.032 3.960 0.000 0.000 0.214 262 G C 0.232 174.599 174.900 -0.887 0.000 1.140 262 G CA -0.211 43.968 45.100 -1.535 0.000 0.800 262 G HN 0.758 nan 8.290 nan 0.000 0.533 263 R N -1.361 118.692 120.500 -0.746 0.000 2.690 263 R HA 0.389 4.729 4.340 0.000 0.000 0.269 263 R C -3.493 172.312 176.300 -0.826 0.000 1.037 263 R CA -2.026 53.764 56.100 -0.517 0.000 0.877 263 R CB 0.293 30.481 30.300 -0.187 0.000 1.255 263 R HN -0.244 nan 8.270 nan 0.000 0.467 264 P HA -0.092 nan 4.420 nan 0.000 0.263 264 P C -0.495 176.654 177.300 -0.250 0.000 1.168 264 P CA 0.503 63.395 63.100 -0.346 0.000 0.759 264 P CB 0.217 31.845 31.700 -0.120 0.000 0.782 265 N N -0.655 117.976 118.700 -0.116 0.000 2.741 265 N HA -0.172 4.568 4.740 0.000 0.000 0.251 265 N C -0.331 175.154 175.510 -0.043 0.000 1.112 265 N CA 1.296 54.324 53.050 -0.036 0.000 0.750 265 N CB -0.694 37.779 38.487 -0.023 0.000 1.119 265 N HN 0.495 nan 8.380 nan 0.000 0.561 266 K N 0.523 120.862 120.400 -0.102 0.000 2.267 266 K HA 0.489 4.809 4.320 0.000 0.000 0.246 266 K C -2.209 174.454 176.600 0.104 0.000 0.954 266 K CA -1.443 54.831 56.287 -0.023 0.000 0.824 266 K CB 1.827 34.279 32.500 -0.080 0.000 1.167 266 K HN -0.092 nan 8.250 nan 0.000 0.431 267 P HA 0.009 nan 4.420 nan 0.000 0.271 267 P C 0.182 177.624 177.300 0.237 0.000 1.218 267 P CA -0.438 62.720 63.100 0.097 0.000 0.780 267 P CB 0.515 32.184 31.700 -0.052 0.000 0.901 268 V N -0.802 119.187 119.914 0.124 0.000 3.096 268 V HA 0.369 4.489 4.120 0.000 0.000 0.306 268 V C 0.017 176.352 176.094 0.402 0.000 1.088 268 V CA 0.036 62.411 62.300 0.126 0.000 1.129 268 V CB 0.525 32.156 31.823 -0.321 0.000 1.014 268 V HN 0.626 nan 8.190 nan 0.000 0.486 269 D N 1.601 122.291 120.400 0.482 0.000 2.970 269 D HA 0.307 4.947 4.640 0.000 0.000 0.230 269 D C 0.790 177.349 176.300 0.431 0.000 1.276 269 D CA -0.008 54.309 54.000 0.528 0.000 0.910 269 D CB 2.238 43.337 40.800 0.498 0.000 1.590 269 D HN 0.648 nan 8.370 nan 0.000 0.551 270 T N 1.888 116.753 114.554 0.518 0.000 2.649 270 T HA -0.237 4.113 4.350 0.000 0.000 0.268 270 T C 2.009 176.796 174.700 0.145 0.000 1.036 270 T CA 2.376 64.716 62.100 0.401 0.000 1.157 270 T CB -0.619 68.434 68.868 0.309 0.000 0.861 270 T HN 0.780 nan 8.240 nan 0.000 0.445 271 C N 0.423 119.738 119.300 0.026 0.000 2.409 271 C HA -0.055 4.405 4.460 0.000 0.000 0.284 271 C C 2.207 176.974 174.990 -0.372 0.000 1.354 271 C CA -0.168 58.669 59.018 -0.302 0.000 1.787 271 C CB -2.064 25.381 27.740 -0.492 0.000 1.900 271 C HN 0.501 nan 8.230 nan 0.000 0.520 272 Y N 1.915 122.305 120.300 0.151 0.000 2.509 272 Y HA 0.019 4.569 4.550 0.000 0.000 0.293 272 Y C 2.851 178.688 175.900 -0.104 0.000 1.133 272 Y CA 1.207 59.393 58.100 0.144 0.000 1.283 272 Y CB -0.843 37.754 38.460 0.228 0.000 1.001 272 Y HN 0.344 nan 8.280 nan 0.000 0.555 273 S N -0.378 115.331 115.700 0.014 0.000 2.419 273 S HA -0.173 4.297 4.470 0.000 0.000 0.233 273 S C 1.707 176.115 174.600 -0.321 0.000 1.016 273 S CA 1.255 59.370 58.200 -0.142 0.000 0.974 273 S CB -0.397 62.825 63.200 0.036 0.000 0.786 273 S HN 0.540 nan 8.310 nan 0.000 0.492 274 F N 0.020 119.697 119.950 -0.455 0.000 2.315 274 F HA 0.199 4.726 4.527 0.000 0.000 0.284 274 F C 1.599 177.058 175.800 -0.568 0.000 1.049 274 F CA 0.111 57.762 58.000 -0.582 0.000 1.323 274 F CB -0.644 37.943 39.000 -0.689 0.000 1.113 274 F HN 0.169 nan 8.300 nan 0.000 0.544 275 W N 0.399 121.362 121.300 -0.561 0.000 2.317 275 W HA -0.227 4.433 4.660 -0.000 0.000 0.318 275 W C 2.341 178.651 176.519 -0.349 0.000 1.227 275 W CA 1.601 58.604 57.345 -0.570 0.000 1.269 275 W CB -0.941 28.422 29.460 -0.161 0.000 1.155 275 W HN -0.173 nan 8.180 nan 0.000 0.484 276 V N 0.278 120.196 119.914 0.006 0.000 2.407 276 V HA -0.092 4.028 4.120 0.000 0.000 0.245 276 V C 2.380 178.310 176.094 -0.273 0.000 1.041 276 V CA 1.926 64.191 62.300 -0.059 0.000 1.040 276 V CB -1.575 30.223 31.823 -0.042 0.000 0.671 276 V HN 0.378 nan 8.190 nan 0.000 0.455 277 G N 0.085 108.539 108.800 -0.576 0.000 2.440 277 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 277 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 277 G C 1.741 176.229 174.900 -0.687 0.000 1.154 277 G CA 1.170 45.877 45.100 -0.655 0.000 0.767 277 G HN 0.599 nan 8.290 nan 0.000 0.552 278 A N -0.005 122.372 122.820 -0.739 0.000 1.969 278 A HA 0.034 4.354 4.320 0.000 0.000 0.218 278 A C 2.518 179.989 177.584 -0.188 0.000 1.169 278 A CA 2.337 54.010 52.037 -0.606 0.000 0.635 278 A CB -0.754 17.576 19.000 -1.117 0.000 0.810 278 A HN 0.303 nan 8.150 nan 0.000 0.445 279 T N 0.515 115.037 114.554 -0.053 0.000 2.737 279 T HA -0.074 4.276 4.350 0.000 0.000 0.265 279 T C 1.803 176.525 174.700 0.037 0.000 1.038 279 T CA 1.451 63.589 62.100 0.063 0.000 1.144 279 T CB -0.382 68.563 68.868 0.129 0.000 0.866 279 T HN 0.377 nan 8.240 nan 0.000 0.434 280 L N 0.720 121.966 121.223 0.038 0.000 2.079 280 L HA -0.127 4.213 4.340 0.000 0.000 0.210 280 L C 2.608 179.554 176.870 0.126 0.000 1.081 280 L CA 1.217 56.138 54.840 0.136 0.000 0.752 280 L CB -0.442 41.786 42.059 0.281 0.000 0.896 280 L HN 0.178 nan 8.230 nan 0.000 0.433 281 K N 0.894 121.299 120.400 0.010 0.000 2.057 281 K HA -0.150 4.170 4.320 0.000 0.000 0.207 281 K C 1.944 178.554 176.600 0.017 0.000 1.049 281 K CA 1.548 57.836 56.287 0.002 0.000 0.931 281 K CB -0.364 32.030 32.500 -0.178 0.000 0.714 281 K HN 0.176 nan 8.250 nan 0.000 0.440 282 L N 0.293 121.519 121.223 0.006 0.000 2.191 282 L HA -0.076 4.264 4.340 0.000 0.000 0.212 282 L C 1.753 178.649 176.870 0.044 0.000 1.103 282 L CA 0.785 55.639 54.840 0.023 0.000 0.769 282 L CB -0.225 41.847 42.059 0.021 0.000 0.908 282 L HN 0.173 nan 8.230 nan 0.000 0.438 283 L N -0.739 120.520 121.223 0.060 0.000 2.611 283 L HA 0.032 4.372 4.340 0.000 0.000 0.229 283 L C 0.607 177.531 176.870 0.090 0.000 1.137 283 L CA -0.086 54.798 54.840 0.074 0.000 0.901 283 L CB -0.101 42.006 42.059 0.080 0.000 1.098 283 L HN 0.129 nan 8.230 nan 0.000 0.456 284 K N 0.359 120.809 120.400 0.083 0.000 3.088 284 K HA -0.198 4.122 4.320 0.000 0.000 0.273 284 K C 0.546 177.199 176.600 0.089 0.000 1.111 284 K CA 1.101 57.435 56.287 0.077 0.000 0.803 284 K CB -1.423 31.118 32.500 0.069 0.000 1.226 284 K HN 0.650 nan 8.250 nan 0.000 0.485 285 I N -4.563 116.089 120.570 0.136 0.000 3.994 285 I HA 0.246 4.416 4.170 0.000 0.000 0.323 285 I C 1.206 177.416 176.117 0.155 0.000 1.501 285 I CA -0.697 60.708 61.300 0.175 0.000 1.112 285 I CB 0.143 38.334 38.000 0.320 0.000 1.254 285 I HN -0.013 nan 8.210 nan 0.000 0.495 286 F N 3.353 123.315 119.950 0.021 0.000 2.216 286 F HA -0.170 4.357 4.527 0.000 0.000 0.300 286 F C 2.554 178.433 175.800 0.132 0.000 1.085 286 F CA 2.302 60.352 58.000 0.083 0.000 1.326 286 F CB -0.099 38.927 39.000 0.043 0.000 1.027 286 F HN 0.386 nan 8.300 nan 0.000 0.497 287 Q N -1.262 118.462 119.800 -0.127 0.000 2.368 287 Q HA -0.252 4.088 4.340 0.000 0.000 0.210 287 Q C 1.083 176.789 176.000 -0.490 0.000 0.982 287 Q CA 1.931 57.521 55.803 -0.356 0.000 0.884 287 Q CB -1.070 27.368 28.738 -0.500 0.000 0.933 287 Q HN 0.622 nan 8.270 nan 0.000 0.460 288 Y N 2.011 122.250 120.300 -0.101 0.000 2.468 288 Y HA 0.136 4.686 4.550 0.000 0.000 0.268 288 Y C 1.114 176.945 175.900 -0.115 0.000 1.177 288 Y CA -0.143 57.890 58.100 -0.111 0.000 1.265 288 Y CB 0.540 38.970 38.460 -0.049 0.000 1.103 288 Y HN 0.170 nan 8.280 nan 0.000 0.522 289 T N -1.903 112.629 114.554 -0.038 0.000 2.824 289 T HA 0.082 4.432 4.350 0.000 0.000 0.277 289 T C 0.061 174.752 174.700 -0.014 0.000 0.975 289 T CA -0.971 61.124 62.100 -0.008 0.000 0.966 289 T CB 1.217 70.082 68.868 -0.005 0.000 1.054 289 T HN 0.091 nan 8.240 nan 0.000 0.533 290 N N 0.670 119.385 118.700 0.025 0.000 2.437 290 N HA 0.148 4.888 4.740 0.000 0.000 0.243 290 N C 0.401 176.031 175.510 0.201 0.000 1.041 290 N CA -0.491 52.584 53.050 0.041 0.000 0.940 290 N CB -0.185 38.296 38.487 -0.011 0.000 1.133 290 N HN 0.716 nan 8.380 nan 0.000 0.506 291 F N 1.519 121.410 119.950 -0.097 0.000 2.113 291 F HA -0.138 4.389 4.527 0.000 0.000 0.297 291 F C 2.015 177.818 175.800 0.005 0.000 1.103 291 F CA 0.410 58.379 58.000 -0.051 0.000 1.248 291 F CB 0.342 39.306 39.000 -0.061 0.000 0.999 291 F HN 0.438 nan 8.300 nan 0.000 0.475 292 E N 0.997 121.319 120.200 0.204 0.000 2.038 292 E HA -0.213 4.137 4.350 0.000 0.000 0.195 292 E C 1.917 178.578 176.600 0.102 0.000 1.000 292 E CA 1.288 57.762 56.400 0.124 0.000 0.803 292 E CB -0.534 29.213 29.700 0.079 0.000 0.750 292 E HN 0.438 nan 8.360 nan 0.000 0.448 293 K N 0.624 121.073 120.400 0.081 0.000 2.097 293 K HA -0.129 4.191 4.320 0.000 0.000 0.206 293 K C 2.045 178.711 176.600 0.110 0.000 1.049 293 K CA 1.123 57.451 56.287 0.069 0.000 0.933 293 K CB -0.128 32.380 32.500 0.014 0.000 0.717 293 K HN -0.022 nan 8.250 nan 0.000 0.442 294 N N 1.586 120.357 118.700 0.119 0.000 2.080 294 N HA -0.182 4.558 4.740 0.000 0.000 0.189 294 N C 1.726 177.351 175.510 0.191 0.000 1.036 294 N CA 1.399 54.561 53.050 0.186 0.000 0.846 294 N CB -0.045 38.595 38.487 0.256 0.000 1.015 294 N HN 0.057 nan 8.380 nan 0.000 0.423 295 R N 0.054 120.630 120.500 0.126 0.000 2.091 295 R HA -0.063 4.277 4.340 0.000 0.000 0.238 295 R C 1.442 177.807 176.300 0.108 0.000 1.136 295 R CA 1.661 57.814 56.100 0.088 0.000 0.959 295 R CB -0.228 30.110 30.300 0.064 0.000 0.856 295 R HN 0.290 nan 8.270 nan 0.000 0.437 296 N N -0.197 118.573 118.700 0.116 0.000 2.166 296 N HA -0.211 4.529 4.740 0.000 0.000 0.186 296 N C 1.437 177.009 175.510 0.103 0.000 1.019 296 N CA 1.270 54.381 53.050 0.102 0.000 0.856 296 N CB -0.549 37.993 38.487 0.093 0.000 0.993 296 N HN 0.334 nan 8.380 nan 0.000 0.426 297 Y N 1.642 121.992 120.300 0.083 0.000 2.163 297 Y HA -0.042 4.508 4.550 0.000 0.000 0.288 297 Y C 2.178 178.160 175.900 0.137 0.000 1.136 297 Y CA 1.256 59.417 58.100 0.102 0.000 1.147 297 Y CB -0.431 38.087 38.460 0.096 0.000 0.987 297 Y HN -0.058 nan 8.280 nan 0.000 0.509 298 I N -0.021 120.596 120.570 0.078 0.000 2.151 298 I HA -0.378 3.792 4.170 0.000 0.000 0.243 298 I C 2.326 178.513 176.117 0.117 0.000 1.080 298 I CA 1.694 63.019 61.300 0.042 0.000 1.339 298 I CB -0.599 37.411 38.000 0.017 0.000 1.039 298 I HN 0.264 nan 8.210 nan 0.000 0.409 299 L N 0.511 121.824 121.223 0.149 0.000 2.191 299 L HA -0.168 4.172 4.340 0.000 0.000 0.212 299 L C 2.683 179.596 176.870 0.072 0.000 1.103 299 L CA 1.449 56.419 54.840 0.216 0.000 0.769 299 L CB -0.657 41.506 42.059 0.173 0.000 0.908 299 L HN 0.395 nan 8.230 nan 0.000 0.438 300 S N -1.506 114.164 115.700 -0.049 0.000 2.507 300 S HA -0.118 4.352 4.470 0.000 0.000 0.235 300 S C 1.706 176.239 174.600 -0.112 0.000 0.988 300 S CA 1.073 59.215 58.200 -0.097 0.000 0.944 300 S CB -0.613 62.501 63.200 -0.143 0.000 0.762 300 S HN 0.558 nan 8.310 nan 0.000 0.526 301 T N -1.805 112.690 114.554 -0.099 0.000 3.105 301 T HA 0.257 4.607 4.350 0.000 0.000 0.253 301 T C 0.318 175.015 174.700 -0.005 0.000 1.047 301 T CA -0.512 61.571 62.100 -0.028 0.000 0.944 301 T CB -0.247 68.621 68.868 0.001 0.000 1.016 301 T HN 0.460 nan 8.240 nan 0.000 0.544 302 Q N 1.861 121.608 119.800 -0.087 0.000 2.304 302 Q HA 0.100 4.440 4.340 0.000 0.000 0.260 302 Q C -0.733 175.103 176.000 -0.273 0.000 0.965 302 Q CA -0.317 55.239 55.803 -0.413 0.000 0.898 302 Q CB 0.555 29.079 28.738 -0.357 0.000 1.196 302 Q HN 0.307 nan 8.270 nan 0.000 0.402 303 D N 3.963 124.174 120.400 -0.316 0.000 2.411 303 D HA 0.068 4.708 4.640 0.000 0.000 0.225 303 D C 0.345 176.513 176.300 -0.221 0.000 1.156 303 D CA -0.035 53.847 54.000 -0.196 0.000 0.874 303 D CB 0.608 41.315 40.800 -0.155 0.000 1.034 303 D HN 0.608 nan 8.370 nan 0.000 0.502 304 R N 2.689 123.085 120.500 -0.174 0.000 2.237 304 R HA -0.053 4.287 4.340 0.000 0.000 0.219 304 R C 1.603 177.809 176.300 -0.156 0.000 1.080 304 R CA 0.182 56.174 56.100 -0.180 0.000 0.995 304 R CB 0.362 30.586 30.300 -0.127 0.000 0.875 304 R HN 0.451 nan 8.270 nan 0.000 0.462 305 L N 0.641 121.794 121.223 -0.117 0.000 2.185 305 L HA -0.004 4.336 4.340 0.000 0.000 0.198 305 L C 2.061 178.880 176.870 -0.086 0.000 1.079 305 L CA 1.445 56.232 54.840 -0.088 0.000 0.780 305 L CB -0.325 41.702 42.059 -0.054 0.000 0.955 305 L HN 0.096 nan 8.230 nan 0.000 0.462 306 V N -1.967 117.908 119.914 -0.066 0.000 3.590 306 V HA 0.488 4.608 4.120 0.000 0.000 0.265 306 V C 0.915 177.019 176.094 0.017 0.000 1.239 306 V CA 0.521 62.816 62.300 -0.007 0.000 1.117 306 V CB -0.346 31.508 31.823 0.053 0.000 0.818 306 V HN 0.608 nan 8.190 nan 0.000 0.451 307 G N -0.687 108.022 108.800 -0.151 0.000 2.685 307 G HA2 0.397 4.357 3.960 0.000 0.000 0.387 307 G HA3 0.397 4.357 3.960 0.000 0.000 0.387 307 G C 0.506 175.083 174.900 -0.539 0.000 1.324 307 G CA -0.297 44.625 45.100 -0.297 0.000 0.878 307 G HN 2.446 nan 8.290 nan 0.000 0.527 308 G N -2.133 106.284 108.800 -0.637 0.000 2.855 308 G HA2 0.347 4.307 3.960 0.000 0.000 0.352 308 G HA3 0.347 4.307 3.960 0.000 0.000 0.352 308 G C -0.394 174.019 174.900 -0.813 0.000 1.415 308 G CA 0.329 44.675 45.100 -1.257 0.000 0.871 308 G HN 1.806 nan 8.290 nan 0.000 0.543 309 F N 0.047 119.709 119.950 -0.480 0.000 2.579 309 F HA 0.827 5.354 4.527 0.000 0.000 0.324 309 F C 0.856 176.577 175.800 -0.132 0.000 1.058 309 F CA 0.063 57.928 58.000 -0.226 0.000 0.944 309 F CB 2.102 41.000 39.000 -0.170 0.000 1.245 309 F HN 0.975 nan 8.300 nan 0.000 0.477 310 A N 1.289 124.160 122.820 0.085 0.000 2.309 310 A HA 0.532 4.852 4.320 0.000 0.000 0.317 310 A C 0.844 178.338 177.584 -0.149 0.000 1.134 310 A CA -0.609 51.391 52.037 -0.060 0.000 0.866 310 A CB 1.271 20.245 19.000 -0.043 0.000 1.329 310 A HN 0.877 nan 8.150 nan 0.000 0.477 311 K N -0.988 119.085 120.400 -0.545 0.000 2.103 311 K HA -0.010 4.310 4.320 0.000 0.000 0.204 311 K C -0.437 176.114 176.600 -0.082 0.000 1.052 311 K CA 0.674 56.635 56.287 -0.544 0.000 0.945 311 K CB 0.003 31.849 32.500 -1.089 0.000 0.722 311 K HN 0.591 nan 8.250 nan 0.000 0.443 312 W N 1.700 123.043 121.300 0.072 0.000 2.902 312 W HA 0.409 5.069 4.660 0.000 0.000 0.346 312 W C -2.630 173.907 176.519 0.030 0.000 1.139 312 W CA -3.160 54.267 57.345 0.136 0.000 1.139 312 W CB 0.088 29.624 29.460 0.126 0.000 1.439 312 W HN -0.189 nan 8.180 nan 0.000 0.558 313 P HA 0.145 nan 4.420 nan 0.000 0.271 313 P C 0.233 177.602 177.300 0.115 0.000 1.218 313 P CA 1.189 64.345 63.100 0.094 0.000 0.780 313 P CB 0.215 31.940 31.700 0.041 0.000 0.901 314 D N -1.264 119.175 120.400 0.066 0.000 2.800 314 D HA -0.150 4.490 4.640 0.000 0.000 0.232 314 D C 0.115 176.457 176.300 0.070 0.000 1.137 314 D CA 1.223 55.259 54.000 0.060 0.000 0.718 314 D CB -1.955 38.875 40.800 0.050 0.000 1.084 314 D HN 0.560 nan 8.370 nan 0.000 0.432 315 S N -2.261 113.488 115.700 0.080 0.000 2.634 315 S HA 0.624 5.094 4.470 0.000 0.000 0.296 315 S C -0.418 174.232 174.600 0.084 0.000 1.104 315 S CA -0.409 57.819 58.200 0.047 0.000 0.920 315 S CB 1.241 64.494 63.200 0.089 0.000 1.111 315 S HN 0.539 nan 8.310 nan 0.000 0.493 316 H N 2.472 121.553 119.070 0.019 0.000 2.803 316 H HA 0.273 4.829 4.556 0.000 0.000 0.330 316 H C -1.896 173.441 175.328 0.014 0.000 1.057 316 H CA -1.490 54.576 56.048 0.030 0.000 1.458 316 H CB 0.676 30.474 29.762 0.059 0.000 1.470 316 H HN 0.438 nan 8.280 nan 0.000 0.560 317 P HA 0.059 nan 4.420 nan 0.000 0.277 317 P C -1.069 176.359 177.300 0.214 0.000 1.240 317 P CA -0.378 62.765 63.100 0.072 0.000 0.798 317 P CB 1.483 33.132 31.700 -0.086 0.000 0.979 318 D N -1.107 119.432 120.400 0.232 0.000 2.583 318 D HA 0.462 5.102 4.640 0.000 0.000 0.248 318 D C 0.859 177.391 176.300 0.386 0.000 1.209 318 D CA -0.997 53.221 54.000 0.363 0.000 0.848 318 D CB 0.548 41.537 40.800 0.315 0.000 1.431 318 D HN 0.163 nan 8.370 nan 0.000 0.436 319 A N 0.547 123.626 122.820 0.431 0.000 1.908 319 A HA -0.148 4.172 4.320 0.000 0.000 0.218 319 A C 1.984 179.597 177.584 0.049 0.000 1.181 319 A CA 1.608 53.911 52.037 0.444 0.000 0.627 319 A CB -0.990 18.275 19.000 0.442 0.000 0.818 319 A HN 0.657 nan 8.150 nan 0.000 0.445 320 L N -1.504 119.622 121.223 -0.161 0.000 2.017 320 L HA -0.209 4.131 4.340 0.000 0.000 0.208 320 L C 2.458 179.075 176.870 -0.421 0.000 1.073 320 L CA 2.235 56.639 54.840 -0.727 0.000 0.745 320 L CB -0.361 41.535 42.059 -0.272 0.000 0.894 320 L HN 0.543 nan 8.230 nan 0.000 0.432 321 H N -0.733 118.296 119.070 -0.068 0.000 2.462 321 H HA 0.048 4.604 4.556 0.000 0.000 0.292 321 H C 2.141 177.429 175.328 -0.068 0.000 1.049 321 H CA 1.008 57.037 56.048 -0.032 0.000 1.334 321 H CB -0.111 29.653 29.762 0.004 0.000 1.404 321 H HN 0.511 nan 8.280 nan 0.000 0.544 322 A N 0.257 123.112 122.820 0.058 0.000 1.873 322 A HA -0.217 4.103 4.320 0.000 0.000 0.215 322 A C 2.071 179.696 177.584 0.067 0.000 1.186 322 A CA 1.502 53.579 52.037 0.068 0.000 0.616 322 A CB -0.905 17.993 19.000 -0.170 0.000 0.823 322 A HN 0.518 nan 8.150 nan 0.000 0.442 323 Y N -0.527 119.690 120.300 -0.140 0.000 2.163 323 Y HA -0.164 4.386 4.550 0.000 0.000 0.288 323 Y C 1.916 177.417 175.900 -0.664 0.000 1.136 323 Y CA 1.719 59.564 58.100 -0.424 0.000 1.147 323 Y CB -0.554 37.426 38.460 -0.799 0.000 0.987 323 Y HN 0.282 nan 8.280 nan 0.000 0.509 324 F N -0.379 119.192 119.950 -0.632 0.000 2.325 324 F HA -0.007 4.520 4.527 0.000 0.000 0.299 324 F C 2.528 177.942 175.800 -0.644 0.000 1.090 324 F CA 0.770 58.289 58.000 -0.801 0.000 1.392 324 F CB -0.627 37.920 39.000 -0.756 0.000 1.053 324 F HN 0.145 nan 8.300 nan 0.000 0.521 325 G N 0.345 108.858 108.800 -0.478 0.000 2.402 325 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 325 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 325 G C 1.685 176.106 174.900 -0.799 0.000 1.162 325 G CA 0.616 45.280 45.100 -0.726 0.000 0.777 325 G HN 0.323 nan 8.290 nan 0.000 0.539 326 I N 0.309 120.452 120.570 -0.711 0.000 2.252 326 I HA -0.168 4.002 4.170 0.000 0.000 0.245 326 I C 2.651 178.478 176.117 -0.484 0.000 1.102 326 I CA 0.543 61.547 61.300 -0.494 0.000 1.385 326 I CB -0.123 37.753 38.000 -0.207 0.000 1.064 326 I HN 0.184 nan 8.210 nan 0.000 0.414 327 C N 0.661 119.589 119.300 -0.620 0.000 2.435 327 C HA -0.052 4.408 4.460 0.000 0.000 0.279 327 C C 2.902 177.733 174.990 -0.265 0.000 1.321 327 C CA 0.884 59.585 59.018 -0.528 0.000 1.752 327 C CB -1.667 25.518 27.740 -0.925 0.000 1.959 327 C HN 0.661 nan 8.230 nan 0.000 0.500 328 G N 0.346 108.983 108.800 -0.272 0.000 2.402 328 G HA2 -0.138 3.822 3.960 0.000 0.000 0.216 328 G HA3 -0.138 3.822 3.960 0.000 0.000 0.216 328 G C 1.418 176.176 174.900 -0.237 0.000 1.162 328 G CA 0.564 45.536 45.100 -0.212 0.000 0.777 328 G HN 0.339 nan 8.290 nan 0.000 0.539 329 L N 1.282 122.326 121.223 -0.298 0.000 2.046 329 L HA -0.015 4.325 4.340 0.000 0.000 0.208 329 L C 3.079 179.791 176.870 -0.263 0.000 1.077 329 L CA 1.906 56.569 54.840 -0.294 0.000 0.747 329 L CB -1.041 40.765 42.059 -0.421 0.000 0.896 329 L HN 0.337 nan 8.230 nan 0.000 0.432 330 S N -0.833 114.709 115.700 -0.264 0.000 2.383 330 S HA -0.181 4.289 4.470 0.000 0.000 0.229 330 S C 2.037 176.541 174.600 -0.160 0.000 1.030 330 S CA 0.903 58.984 58.200 -0.198 0.000 1.002 330 S CB -0.186 62.901 63.200 -0.188 0.000 0.829 330 S HN 0.253 nan 8.310 nan 0.000 0.467 331 L N 1.169 122.269 121.223 -0.206 0.000 2.129 331 L HA 0.074 4.414 4.340 0.000 0.000 0.212 331 L C 2.052 178.864 176.870 -0.097 0.000 1.087 331 L CA 1.748 56.433 54.840 -0.258 0.000 0.757 331 L CB -0.893 40.791 42.059 -0.625 0.000 0.896 331 L HN 0.506 nan 8.230 nan 0.000 0.434 332 M N -1.529 117.973 119.600 -0.165 0.000 2.419 332 M HA 0.111 4.591 4.480 0.000 0.000 0.252 332 M C -0.127 176.140 176.300 -0.055 0.000 1.143 332 M CA -0.000 55.145 55.300 -0.258 0.000 0.985 332 M CB 0.115 32.364 32.600 -0.586 0.000 1.489 332 M HN 0.062 nan 8.290 nan 0.000 0.484 333 E N 1.680 121.849 120.200 -0.051 0.000 2.271 333 E HA -0.186 4.164 4.350 0.000 0.000 0.223 333 E C -0.104 176.469 176.600 -0.045 0.000 1.223 333 E CA 0.211 56.594 56.400 -0.028 0.000 0.704 333 E CB -0.922 28.795 29.700 0.029 0.000 1.194 333 E HN 0.424 nan 8.360 nan 0.000 0.375 334 E N 0.759 120.890 120.200 -0.114 0.000 2.452 334 E HA 0.033 4.383 4.350 0.000 0.000 0.261 334 E C -0.319 176.223 176.600 -0.097 0.000 0.987 334 E CA 0.277 56.588 56.400 -0.148 0.000 0.926 334 E CB 0.822 30.326 29.700 -0.326 0.000 0.934 334 E HN 0.169 nan 8.360 nan 0.000 0.452 335 S N 3.447 119.124 115.700 -0.039 0.000 2.506 335 S HA 0.371 4.842 4.470 0.000 0.000 0.291 335 S C 0.856 175.483 174.600 0.046 0.000 1.230 335 S CA 0.825 59.034 58.200 0.014 0.000 1.107 335 S CB -0.768 62.459 63.200 0.044 0.000 0.942 335 S HN 0.905 nan 8.310 nan 0.000 0.502 336 G N 4.189 113.018 108.800 0.048 0.000 2.192 336 G HA2 -0.146 3.814 3.960 0.000 0.000 0.193 336 G HA3 -0.146 3.814 3.960 0.000 0.000 0.193 336 G C -0.083 174.873 174.900 0.094 0.000 0.999 336 G CA -0.117 45.047 45.100 0.107 0.000 0.659 336 G HN 0.701 nan 8.290 nan 0.000 0.503 337 I N 1.230 121.799 120.570 -0.002 0.000 2.466 337 I HA 0.355 4.525 4.170 0.000 0.000 0.289 337 I C 0.958 177.053 176.117 -0.036 0.000 1.026 337 I CA -1.167 60.114 61.300 -0.032 0.000 1.078 337 I CB 1.753 39.657 38.000 -0.161 0.000 1.249 337 I HN 0.092 nan 8.210 nan 0.000 0.429 338 C N 3.491 122.780 119.300 -0.018 0.000 2.741 338 C HA 0.050 4.510 4.460 0.000 0.000 0.403 338 C C 1.021 175.991 174.990 -0.033 0.000 1.282 338 C CA -0.642 58.367 59.018 -0.015 0.000 2.053 338 C CB -0.188 27.549 27.740 -0.004 0.000 2.731 338 C HN 0.629 nan 8.230 nan 0.000 0.680 339 K N 1.001 121.392 120.400 -0.015 0.000 2.322 339 K HA 0.316 4.636 4.320 0.000 0.000 0.283 339 K C -0.157 176.442 176.600 -0.000 0.000 1.042 339 K CA -0.277 56.000 56.287 -0.017 0.000 0.958 339 K CB 1.195 33.693 32.500 -0.003 0.000 0.984 339 K HN 0.570 nan 8.250 nan 0.000 0.473 340 V N 3.616 123.526 119.914 -0.006 0.000 2.567 340 V HA 0.191 4.311 4.120 0.000 0.000 0.289 340 V C 0.070 176.237 176.094 0.122 0.000 1.049 340 V CA -0.627 61.703 62.300 0.050 0.000 0.969 340 V CB 1.169 33.002 31.823 0.016 0.000 0.995 340 V HN 0.926 nan 8.190 nan 0.000 0.471 341 H N 9.276 128.407 119.070 0.102 0.000 3.015 341 H HA 0.281 4.837 4.556 0.000 0.000 0.268 341 H C -1.694 173.759 175.328 0.209 0.000 1.113 341 H CA -1.731 54.393 56.048 0.126 0.000 1.479 341 H CB 1.597 31.433 29.762 0.124 0.000 1.493 341 H HN 0.548 nan 8.280 nan 0.000 0.486 342 P HA -0.144 nan 4.420 nan 0.000 0.218 342 P C 0.815 178.415 177.300 0.499 0.000 1.146 342 P CA 1.485 64.758 63.100 0.288 0.000 0.813 342 P CB 0.348 32.072 31.700 0.041 0.000 0.778 343 A N -1.286 121.871 122.820 0.561 0.000 2.035 343 A HA 0.121 4.441 4.320 0.000 0.000 0.208 343 A C 1.981 179.853 177.584 0.480 0.000 1.206 343 A CA 0.262 52.577 52.037 0.463 0.000 0.773 343 A CB -0.919 18.248 19.000 0.279 0.000 0.878 343 A HN 0.129 nan 8.150 nan 0.000 0.469 344 L N -0.668 120.762 121.223 0.345 0.000 2.477 344 L HA 0.224 4.564 4.340 0.000 0.000 0.220 344 L C 0.586 177.702 176.870 0.411 0.000 1.106 344 L CA 1.089 56.003 54.840 0.124 0.000 0.851 344 L CB -0.622 41.217 42.059 -0.367 0.000 0.994 344 L HN 0.549 nan 8.230 nan 0.000 0.462 345 N N -0.456 118.571 118.700 0.545 0.000 2.758 345 N HA -0.168 4.572 4.740 0.000 0.000 0.248 345 N C -0.783 174.999 175.510 0.453 0.000 1.076 345 N CA 0.942 54.326 53.050 0.556 0.000 0.696 345 N CB -1.229 37.711 38.487 0.755 0.000 0.979 345 N HN 0.254 nan 8.380 nan 0.000 0.550 346 V N -3.533 116.567 119.914 0.309 0.000 3.181 346 V HA 0.837 4.957 4.120 0.000 0.000 0.308 346 V C 0.560 176.747 176.094 0.155 0.000 1.214 346 V CA -0.470 61.953 62.300 0.206 0.000 1.053 346 V CB 1.445 33.361 31.823 0.155 0.000 1.069 346 V HN 0.467 nan 8.190 nan 0.000 0.441 347 S N 0.006 115.757 115.700 0.085 0.000 2.579 347 S HA 0.170 4.640 4.470 0.000 0.000 0.275 347 S C 1.392 176.056 174.600 0.106 0.000 1.345 347 S CA 0.383 58.624 58.200 0.067 0.000 1.031 347 S CB 0.859 64.073 63.200 0.024 0.000 0.892 347 S HN 1.773 nan 8.310 nan 0.000 0.529 348 T N -0.146 114.472 114.554 0.107 0.000 2.803 348 T HA -0.231 4.119 4.350 0.000 0.000 0.269 348 T C 1.764 176.517 174.700 0.088 0.000 1.052 348 T CA 1.226 63.402 62.100 0.128 0.000 1.136 348 T CB -0.503 68.412 68.868 0.078 0.000 0.864 348 T HN 0.730 nan 8.240 nan 0.000 0.467 349 R N 1.117 121.649 120.500 0.053 0.000 2.091 349 R HA -0.126 4.214 4.340 0.000 0.000 0.238 349 R C 2.293 178.607 176.300 0.024 0.000 1.136 349 R CA 1.995 58.114 56.100 0.032 0.000 0.959 349 R CB -0.931 29.381 30.300 0.019 0.000 0.856 349 R HN 0.439 nan 8.270 nan 0.000 0.437 350 T N 0.436 115.007 114.554 0.027 0.000 2.821 350 T HA -0.115 4.235 4.350 0.000 0.000 0.267 350 T C 1.881 176.585 174.700 0.006 0.000 1.046 350 T CA 1.571 63.677 62.100 0.011 0.000 1.139 350 T CB -0.189 68.689 68.868 0.016 0.000 0.871 350 T HN 0.538 nan 8.240 nan 0.000 0.454 351 S N 1.623 117.350 115.700 0.045 0.000 2.382 351 S HA -0.122 4.348 4.470 0.000 0.000 0.228 351 S C 2.101 176.716 174.600 0.024 0.000 1.027 351 S CA 1.091 59.316 58.200 0.043 0.000 0.991 351 S CB -0.446 62.846 63.200 0.152 0.000 0.823 351 S HN 0.443 nan 8.310 nan 0.000 0.469 352 E N 1.193 121.415 120.200 0.036 0.000 2.047 352 E HA -0.026 4.324 4.350 0.000 0.000 0.191 352 E C 2.219 178.792 176.600 -0.046 0.000 0.987 352 E CA 1.047 57.453 56.400 0.009 0.000 0.799 352 E CB -0.543 29.169 29.700 0.021 0.000 0.752 352 E HN 0.691 nan 8.360 nan 0.000 0.449 353 R N -0.101 120.370 120.500 -0.049 0.000 2.152 353 R HA -0.102 4.238 4.340 0.000 0.000 0.232 353 R C 2.430 178.638 176.300 -0.153 0.000 1.117 353 R CA 1.269 57.323 56.100 -0.077 0.000 0.981 353 R CB -0.373 29.896 30.300 -0.051 0.000 0.870 353 R HN 0.283 nan 8.270 nan 0.000 0.451 354 L N 0.923 122.033 121.223 -0.187 0.000 2.109 354 L HA -0.095 4.245 4.340 0.000 0.000 0.207 354 L C 2.791 179.322 176.870 -0.564 0.000 1.086 354 L CA 2.220 56.839 54.840 -0.368 0.000 0.760 354 L CB -0.662 41.215 42.059 -0.305 0.000 0.910 354 L HN 0.080 nan 8.230 nan 0.000 0.437 355 R N -0.274 120.029 120.500 -0.329 0.000 2.081 355 R HA -0.168 4.172 4.340 0.000 0.000 0.235 355 R C 1.918 178.089 176.300 -0.215 0.000 1.131 355 R CA 1.947 57.900 56.100 -0.246 0.000 0.960 355 R CB -1.871 28.381 30.300 -0.079 0.000 0.856 355 R HN 0.564 nan 8.270 nan 0.000 0.436 356 D N 0.731 121.023 120.400 -0.180 0.000 2.097 356 D HA -0.115 4.525 4.640 0.000 0.000 0.195 356 D C 2.089 178.254 176.300 -0.225 0.000 0.989 356 D CA 1.292 55.205 54.000 -0.145 0.000 0.827 356 D CB -0.372 40.367 40.800 -0.101 0.000 0.966 356 D HN 0.359 nan 8.370 nan 0.000 0.456 357 L N 0.394 121.413 121.223 -0.340 0.000 2.013 357 L HA -0.250 4.090 4.340 0.000 0.000 0.212 357 L C 2.477 178.812 176.870 -0.892 0.000 1.073 357 L CA 1.563 56.070 54.840 -0.555 0.000 0.753 357 L CB -0.363 41.347 42.059 -0.582 0.000 0.890 357 L HN 0.240 nan 8.230 nan 0.000 0.432 358 H N -1.548 117.023 119.070 -0.832 0.000 2.387 358 H HA -0.237 4.319 4.556 0.000 0.000 0.299 358 H C 2.456 177.599 175.328 -0.309 0.000 1.099 358 H CA 1.138 56.782 56.048 -0.673 0.000 1.315 358 H CB 0.071 29.604 29.762 -0.381 0.000 1.380 358 H HN 0.523 nan 8.280 nan 0.000 0.513 359 Q N 1.054 120.795 119.800 -0.099 0.000 1.993 359 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 359 Q C 2.520 178.520 176.000 0.000 0.000 0.984 359 Q CA 1.932 57.719 55.803 -0.027 0.000 0.837 359 Q CB -1.194 27.525 28.738 -0.031 0.000 0.902 359 Q HN 0.645 nan 8.270 nan 0.000 0.423 360 S N -0.847 114.828 115.700 -0.042 0.000 2.402 360 S HA -0.194 4.276 4.470 0.000 0.000 0.233 360 S C 1.830 176.551 174.600 0.201 0.000 1.030 360 S CA 1.565 59.795 58.200 0.050 0.000 1.003 360 S CB -0.662 62.559 63.200 0.035 0.000 0.813 360 S HN 0.763 nan 8.310 nan 0.000 0.477 361 W N 2.307 123.630 121.300 0.040 0.000 2.381 361 W HA 0.241 4.901 4.660 0.000 0.000 0.301 361 W C 2.193 178.719 176.519 0.012 0.000 1.205 361 W CA 0.529 57.888 57.345 0.024 0.000 1.285 361 W CB -1.209 28.263 29.460 0.020 0.000 1.133 361 W HN 0.503 nan 8.180 nan 0.000 0.521 362 K N 1.841 122.386 120.400 0.241 0.000 2.408 362 K HA 0.334 4.654 4.320 0.000 0.000 0.231 362 K C 0.241 176.899 176.600 0.096 0.000 1.261 362 K CA 0.989 57.358 56.287 0.136 0.000 1.193 362 K CB -1.588 30.970 32.500 0.096 0.000 1.431 362 K HN 0.287 nan 8.250 nan 0.000 0.243 363 T N 0.000 114.611 114.554 0.096 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.141 62.100 0.067 0.000 1.349 363 T CB 0.000 68.910 68.868 0.069 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658