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 1tnb_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 0.000 176.919 176.870 0.082 0.000 1.165 18 L CA 0.000 54.873 54.840 0.056 0.000 0.813 18 L CB 0.000 42.083 42.059 0.039 0.000 0.961 19 D N -0.711 119.740 120.400 0.085 0.000 2.374 19 D HA 0.386 5.026 4.640 0.000 0.000 0.239 19 D C -0.905 175.514 176.300 0.197 0.000 0.991 19 D CA -0.316 53.760 54.000 0.126 0.000 0.960 19 D CB 1.451 42.299 40.800 0.080 0.000 1.284 19 D HN 0.142 nan 8.370 nan 0.000 0.512 20 F N 0.910 120.904 119.950 0.073 0.000 2.413 20 F HA 0.251 4.778 4.527 0.000 0.000 0.359 20 F C -0.289 175.553 175.800 0.070 0.000 1.122 20 F CA -1.170 56.906 58.000 0.127 0.000 1.160 20 F CB 0.417 39.504 39.000 0.145 0.000 1.146 20 F HN 0.108 nan 8.300 nan 0.000 0.514 21 L N 7.798 128.776 121.223 -0.408 0.000 2.672 21 L HA 0.172 4.512 4.340 0.000 0.000 0.238 21 L C 1.979 178.364 176.870 -0.808 0.000 1.392 21 L CA 0.447 54.961 54.840 -0.543 0.000 1.238 21 L CB -1.375 40.353 42.059 -0.552 0.000 1.548 21 L HN 0.693 nan 8.230 nan 0.000 0.423 22 R N 0.438 120.472 120.500 -0.777 0.000 2.159 22 R HA -0.240 4.100 4.340 0.000 0.000 0.249 22 R C 1.252 177.393 176.300 -0.265 0.000 1.136 22 R CA 2.344 58.121 56.100 -0.538 0.000 0.951 22 R CB 0.113 30.358 30.300 -0.092 0.000 0.876 22 R HN 0.493 nan 8.270 nan 0.000 0.440 23 D N -0.494 119.778 120.400 -0.214 0.000 2.144 23 D HA -0.164 4.477 4.640 0.000 0.000 0.199 23 D C 2.014 178.201 176.300 -0.188 0.000 0.984 23 D CA 1.022 54.939 54.000 -0.139 0.000 0.834 23 D CB -0.241 40.495 40.800 -0.107 0.000 0.955 23 D HN 0.192 nan 8.370 nan 0.000 0.465 24 R N 0.439 120.740 120.500 -0.333 0.000 2.091 24 R HA -0.142 4.198 4.340 0.000 0.000 0.238 24 R C 2.172 178.262 176.300 -0.349 0.000 1.136 24 R CA 1.340 57.216 56.100 -0.373 0.000 0.959 24 R CB -0.362 29.611 30.300 -0.545 0.000 0.856 24 R HN 0.301 nan 8.270 nan 0.000 0.437 25 H N -0.895 118.002 119.070 -0.288 0.000 2.423 25 H HA -0.010 4.546 4.556 0.000 0.000 0.297 25 H C 2.029 177.239 175.328 -0.196 0.000 1.075 25 H CA 1.521 57.367 56.048 -0.338 0.000 1.342 25 H CB -0.193 29.369 29.762 -0.333 0.000 1.395 25 H HN 0.078 nan 8.280 nan 0.000 0.530 26 V N 0.845 120.791 119.914 0.053 0.000 2.358 26 V HA -0.211 3.909 4.120 0.000 0.000 0.246 26 V C 2.664 178.816 176.094 0.096 0.000 1.047 26 V CA 1.556 63.941 62.300 0.143 0.000 1.035 26 V CB -0.396 31.483 31.823 0.093 0.000 0.658 26 V HN 0.239 nan 8.190 nan 0.000 0.452 27 R N -0.992 119.517 120.500 0.015 0.000 2.081 27 R HA -0.175 4.165 4.340 0.000 0.000 0.235 27 R C 2.229 178.529 176.300 0.000 0.000 1.131 27 R CA 1.994 58.090 56.100 -0.007 0.000 0.960 27 R CB -0.433 29.838 30.300 -0.047 0.000 0.856 27 R HN 0.524 nan 8.270 nan 0.000 0.436 28 F N 0.359 120.204 119.950 -0.176 0.000 2.043 28 F HA -0.276 4.251 4.527 0.000 0.000 0.297 28 F C 1.701 177.412 175.800 -0.149 0.000 1.121 28 F CA 1.794 59.661 58.000 -0.221 0.000 1.199 28 F CB -0.432 38.356 39.000 -0.354 0.000 0.968 28 F HN -0.031 nan 8.300 nan 0.000 0.478 29 F N 0.442 120.564 119.950 0.288 0.000 2.161 29 F HA -0.269 4.258 4.527 -0.000 0.000 0.300 29 F C 2.544 178.325 175.800 -0.032 0.000 1.089 29 F CA 1.238 59.318 58.000 0.132 0.000 1.282 29 F CB -0.624 38.454 39.000 0.131 0.000 1.010 29 F HN 0.099 nan 8.300 nan 0.000 0.485 30 Q N 0.261 120.137 119.800 0.128 0.000 2.050 30 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 30 Q C 2.291 178.250 176.000 -0.068 0.000 0.980 30 Q CA 1.376 57.191 55.803 0.018 0.000 0.840 30 Q CB -0.353 28.385 28.738 0.000 0.000 0.898 30 Q HN 0.475 nan 8.270 nan 0.000 0.424 31 R N 0.049 120.470 120.500 -0.132 0.000 2.081 31 R HA -0.121 4.219 4.340 0.000 0.000 0.235 31 R C 2.491 178.648 176.300 -0.239 0.000 1.131 31 R CA 1.347 57.323 56.100 -0.206 0.000 0.960 31 R CB -0.586 29.542 30.300 -0.287 0.000 0.856 31 R HN 0.316 nan 8.270 nan 0.000 0.436 32 C N 0.828 119.976 119.300 -0.253 0.000 2.413 32 C HA -0.073 4.387 4.460 0.000 0.000 0.276 32 C C 2.474 177.370 174.990 -0.158 0.000 1.248 32 C CA 0.418 59.310 59.018 -0.211 0.000 1.742 32 C CB -0.788 26.909 27.740 -0.071 0.000 2.017 32 C HN 0.382 nan 8.230 nan 0.000 0.481 33 L N 0.457 121.605 121.223 -0.126 0.000 2.291 33 L HA -0.062 4.278 4.340 0.000 0.000 0.214 33 L C 2.299 179.051 176.870 -0.197 0.000 1.120 33 L CA 1.540 56.282 54.840 -0.165 0.000 0.799 33 L CB -1.506 40.473 42.059 -0.133 0.000 0.925 33 L HN 0.538 nan 8.230 nan 0.000 0.446 34 Q N -1.317 118.381 119.800 -0.170 0.000 1.909 34 Q HA 0.095 4.435 4.340 0.000 0.000 0.209 34 Q C -0.065 175.838 176.000 -0.163 0.000 0.974 34 Q CA 0.757 56.464 55.803 -0.160 0.000 0.851 34 Q CB 0.394 29.051 28.738 -0.135 0.000 0.904 34 Q HN 0.158 nan 8.270 nan 0.000 0.445 35 V N 0.377 120.194 119.914 -0.162 0.000 3.049 35 V HA 0.415 4.535 4.120 0.000 0.000 0.309 35 V C -1.164 174.820 176.094 -0.184 0.000 1.148 35 V CA -0.746 61.467 62.300 -0.145 0.000 0.990 35 V CB 2.223 33.980 31.823 -0.109 0.000 1.039 35 V HN 0.222 nan 8.190 nan 0.000 0.430 36 L N 3.022 124.146 121.223 -0.164 0.000 2.341 36 L HA 0.648 4.988 4.340 0.000 0.000 0.267 36 L C -2.565 174.257 176.870 -0.080 0.000 1.009 36 L CA -1.839 52.856 54.840 -0.242 0.000 0.819 36 L CB 2.233 44.123 42.059 -0.282 0.000 1.323 36 L HN 0.431 nan 8.230 nan 0.000 0.425 37 P HA 0.078 nan 4.420 nan 0.000 0.275 37 P C 0.350 177.804 177.300 0.256 0.000 1.227 37 P CA -0.366 62.834 63.100 0.167 0.000 0.781 37 P CB 0.745 32.611 31.700 0.276 0.000 0.906 38 E N 2.253 122.537 120.200 0.140 0.000 2.339 38 E HA -0.291 4.059 4.350 0.000 0.000 0.201 38 E C 1.687 178.355 176.600 0.114 0.000 1.015 38 E CA 0.663 57.130 56.400 0.113 0.000 0.841 38 E CB 0.013 29.753 29.700 0.066 0.000 0.754 38 E HN 0.288 nan 8.360 nan 0.000 0.508 39 R N -0.156 120.420 120.500 0.126 0.000 2.241 39 R HA -0.159 4.181 4.340 0.000 0.000 0.224 39 R C 0.440 176.613 176.300 -0.212 0.000 1.101 39 R CA 1.097 57.165 56.100 -0.054 0.000 0.995 39 R CB -0.025 30.197 30.300 -0.131 0.000 0.870 39 R HN 0.265 nan 8.270 nan 0.000 0.463 40 Y N 0.133 120.454 120.300 0.034 0.000 2.625 40 Y HA 0.149 4.699 4.550 -0.000 0.000 0.285 40 Y C 1.870 177.793 175.900 0.038 0.000 1.168 40 Y CA 0.033 58.159 58.100 0.044 0.000 1.250 40 Y CB 0.411 38.897 38.460 0.043 0.000 1.130 40 Y HN 0.117 nan 8.280 nan 0.000 0.526 41 S N -0.885 114.888 115.700 0.122 0.000 2.419 41 S HA -0.213 4.257 4.470 0.000 0.000 0.235 41 S C 1.920 176.554 174.600 0.057 0.000 1.019 41 S CA 1.289 59.540 58.200 0.085 0.000 0.982 41 S CB -0.686 62.548 63.200 0.057 0.000 0.789 41 S HN 0.479 nan 8.310 nan 0.000 0.490 42 S N 0.821 116.549 115.700 0.047 0.000 2.607 42 S HA 0.266 4.736 4.470 0.000 0.000 0.224 42 S C 1.188 175.814 174.600 0.043 0.000 0.969 42 S CA 0.041 58.260 58.200 0.031 0.000 0.927 42 S CB -0.574 62.642 63.200 0.025 0.000 0.772 42 S HN 0.567 nan 8.310 nan 0.000 0.533 43 L N 0.247 121.515 121.223 0.075 0.000 2.766 43 L HA 0.342 4.682 4.340 0.000 0.000 0.242 43 L C 2.245 179.141 176.870 0.044 0.000 1.136 43 L CA 0.095 54.985 54.840 0.083 0.000 0.933 43 L CB -0.033 42.122 42.059 0.160 0.000 1.241 43 L HN 0.205 nan 8.230 nan 0.000 0.522 44 E N 1.484 121.698 120.200 0.024 0.000 2.086 44 E HA -0.284 4.066 4.350 0.000 0.000 0.205 44 E C 1.919 178.481 176.600 -0.064 0.000 1.027 44 E CA 2.566 58.971 56.400 0.007 0.000 0.830 44 E CB -0.236 29.459 29.700 -0.009 0.000 0.751 44 E HN 0.416 nan 8.360 nan 0.000 0.456 45 T N -2.788 111.632 114.554 -0.223 0.000 3.160 45 T HA 0.136 4.486 4.350 0.000 0.000 0.257 45 T C 1.064 175.648 174.700 -0.193 0.000 1.147 45 T CA 0.669 62.551 62.100 -0.364 0.000 1.064 45 T CB -0.029 68.480 68.868 -0.597 0.000 0.949 45 T HN 0.010 nan 8.240 nan 0.000 0.526 46 S N 0.149 115.793 115.700 -0.094 0.000 2.846 46 S HA 0.320 4.790 4.470 0.000 0.000 0.249 46 S C 1.441 176.042 174.600 0.001 0.000 1.028 46 S CA -0.728 57.428 58.200 -0.073 0.000 1.043 46 S CB 0.277 63.453 63.200 -0.040 0.000 0.990 46 S HN 0.388 nan 8.310 nan 0.000 0.564 47 R N 0.881 121.418 120.500 0.061 0.000 2.105 47 R HA -0.060 4.280 4.340 0.000 0.000 0.239 47 R C 1.964 178.369 176.300 0.176 0.000 1.135 47 R CA 1.063 57.248 56.100 0.142 0.000 0.967 47 R CB -0.381 30.061 30.300 0.238 0.000 0.861 47 R HN 0.259 nan 8.270 nan 0.000 0.442 48 L N 0.994 122.301 121.223 0.139 0.000 2.131 48 L HA -0.150 4.190 4.340 0.000 0.000 0.210 48 L C 2.305 179.144 176.870 -0.052 0.000 1.092 48 L CA 2.257 57.156 54.840 0.097 0.000 0.759 48 L CB -0.835 41.188 42.059 -0.059 0.000 0.903 48 L HN 0.305 nan 8.230 nan 0.000 0.435 49 T N -3.742 110.724 114.554 -0.146 0.000 2.985 49 T HA -0.069 4.281 4.350 0.000 0.000 0.266 49 T C 1.915 176.333 174.700 -0.470 0.000 1.076 49 T CA 0.869 62.754 62.100 -0.357 0.000 1.135 49 T CB -0.359 68.300 68.868 -0.348 0.000 0.890 49 T HN 0.184 nan 8.240 nan 0.000 0.480 50 I N 2.201 122.680 120.570 -0.151 0.000 2.353 50 I HA 0.095 4.265 4.170 0.000 0.000 0.248 50 I C 3.106 179.211 176.117 -0.021 0.000 1.119 50 I CA 0.969 62.279 61.300 0.017 0.000 1.417 50 I CB -1.743 36.321 38.000 0.108 0.000 1.078 50 I HN 0.378 nan 8.210 nan 0.000 0.421 51 A N 0.963 123.768 122.820 -0.024 0.000 1.902 51 A HA -0.268 4.052 4.320 0.000 0.000 0.217 51 A C 2.298 179.807 177.584 -0.124 0.000 1.181 51 A CA 1.494 53.508 52.037 -0.038 0.000 0.623 51 A CB -1.097 17.969 19.000 0.111 0.000 0.818 51 A HN 0.389 nan 8.150 nan 0.000 0.443 52 F N -0.047 119.705 119.950 -0.330 0.000 2.069 52 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 52 F C 1.993 177.463 175.800 -0.549 0.000 1.113 52 F CA 1.704 59.421 58.000 -0.472 0.000 1.214 52 F CB -0.610 38.011 39.000 -0.633 0.000 0.978 52 F HN 0.256 nan 8.300 nan 0.000 0.474 53 F N 0.331 119.857 119.950 -0.706 0.000 2.120 53 F HA -0.271 4.256 4.527 0.000 0.000 0.300 53 F C 2.612 177.875 175.800 -0.895 0.000 1.095 53 F CA 0.719 58.134 58.000 -0.975 0.000 1.249 53 F CB -0.854 37.930 39.000 -0.359 0.000 0.995 53 F HN 0.172 nan 8.300 nan 0.000 0.480 54 A N 0.380 122.994 122.820 -0.342 0.000 1.854 54 A HA -0.077 4.243 4.320 0.000 0.000 0.214 54 A C 2.140 179.399 177.584 -0.542 0.000 1.192 54 A CA 1.054 52.863 52.037 -0.380 0.000 0.611 54 A CB -0.953 18.024 19.000 -0.039 0.000 0.832 54 A HN 0.321 nan 8.150 nan 0.000 0.442 55 L N -0.862 120.110 121.223 -0.417 0.000 1.994 55 L HA -0.150 4.190 4.340 0.000 0.000 0.208 55 L C 2.895 179.504 176.870 -0.436 0.000 1.071 55 L CA 1.648 56.284 54.840 -0.340 0.000 0.745 55 L CB -0.604 41.314 42.059 -0.236 0.000 0.892 55 L HN 0.464 nan 8.230 nan 0.000 0.431 56 S N -0.098 115.195 115.700 -0.678 0.000 2.399 56 S HA -0.133 4.337 4.470 0.000 0.000 0.231 56 S C 1.936 176.287 174.600 -0.416 0.000 1.022 56 S CA 1.282 59.106 58.200 -0.626 0.000 0.983 56 S CB -0.397 62.062 63.200 -1.235 0.000 0.803 56 S HN 0.546 nan 8.310 nan 0.000 0.480 57 G N 1.254 109.650 108.800 -0.673 0.000 2.402 57 G HA2 -0.073 3.887 3.960 0.000 0.000 0.216 57 G HA3 -0.073 3.887 3.960 0.000 0.000 0.216 57 G C 1.390 176.030 174.900 -0.433 0.000 1.162 57 G CA 0.711 45.359 45.100 -0.755 0.000 0.777 57 G HN 0.512 nan 8.290 nan 0.000 0.539 58 L N 0.259 121.253 121.223 -0.382 0.000 2.093 58 L HA -0.041 4.299 4.340 0.000 0.000 0.208 58 L C 2.572 179.417 176.870 -0.040 0.000 1.085 58 L CA 1.175 55.981 54.840 -0.058 0.000 0.755 58 L CB -0.331 41.706 42.059 -0.038 0.000 0.904 58 L HN 0.162 nan 8.230 nan 0.000 0.435 59 D N 0.226 120.564 120.400 -0.103 0.000 2.092 59 D HA -0.266 4.374 4.640 0.000 0.000 0.193 59 D C 2.142 178.426 176.300 -0.027 0.000 0.994 59 D CA 1.538 55.502 54.000 -0.061 0.000 0.828 59 D CB 0.023 40.769 40.800 -0.089 0.000 0.963 59 D HN 0.016 nan 8.370 nan 0.000 0.450 60 M N -0.351 119.224 119.600 -0.042 0.000 2.267 60 M HA -0.018 4.462 4.480 0.000 0.000 0.263 60 M C 1.598 177.916 176.300 0.031 0.000 1.063 60 M CA 1.112 56.398 55.300 -0.023 0.000 1.090 60 M CB -0.080 32.477 32.600 -0.073 0.000 1.392 60 M HN 0.095 nan 8.290 nan 0.000 0.422 61 L N -1.393 119.878 121.223 0.080 0.000 2.607 61 L HA 0.109 4.449 4.340 0.000 0.000 0.228 61 L C 0.127 177.059 176.870 0.102 0.000 1.123 61 L CA -0.207 54.721 54.840 0.146 0.000 0.890 61 L CB -0.373 41.830 42.059 0.239 0.000 1.103 61 L HN 0.231 nan 8.230 nan 0.000 0.468 62 D N 0.651 121.087 120.400 0.060 0.000 2.812 62 D HA -0.199 4.441 4.640 0.000 0.000 0.237 62 D C 0.184 176.513 176.300 0.048 0.000 1.162 62 D CA 0.656 54.683 54.000 0.044 0.000 0.740 62 D CB -0.689 40.138 40.800 0.044 0.000 1.000 62 D HN 0.206 nan 8.370 nan 0.000 0.416 63 S N 0.262 115.989 115.700 0.046 0.000 3.073 63 S HA 0.175 4.645 4.470 0.000 0.000 0.252 63 S C 1.526 176.143 174.600 0.029 0.000 0.953 63 S CA -0.584 57.644 58.200 0.047 0.000 1.105 63 S CB 0.217 63.463 63.200 0.076 0.000 1.070 63 S HN 0.411 nan 8.310 nan 0.000 0.574 64 L N 2.200 123.430 121.223 0.012 0.000 2.450 64 L HA -0.132 4.208 4.340 0.000 0.000 0.224 64 L C 2.178 179.050 176.870 0.003 0.000 1.149 64 L CA 1.155 55.994 54.840 -0.003 0.000 0.816 64 L CB -0.327 41.725 42.059 -0.012 0.000 0.932 64 L HN 0.512 nan 8.230 nan 0.000 0.449 65 D N 0.084 120.490 120.400 0.010 0.000 2.178 65 D HA -0.151 4.489 4.640 0.000 0.000 0.202 65 D C 1.837 178.142 176.300 0.007 0.000 0.974 65 D CA 1.413 55.419 54.000 0.010 0.000 0.841 65 D CB -0.428 40.379 40.800 0.012 0.000 0.953 65 D HN 0.390 nan 8.370 nan 0.000 0.478 66 V N -0.215 119.705 119.914 0.010 0.000 3.488 66 V HA 0.038 4.158 4.120 0.000 0.000 0.273 66 V C 0.843 176.935 176.094 -0.003 0.000 1.209 66 V CA 0.387 62.690 62.300 0.006 0.000 1.179 66 V CB -1.401 30.431 31.823 0.015 0.000 0.842 66 V HN 0.225 nan 8.190 nan 0.000 0.515 67 V N -2.591 117.320 119.914 -0.005 0.000 3.102 67 V HA 0.599 4.719 4.120 0.000 0.000 0.312 67 V C -0.277 175.813 176.094 -0.007 0.000 1.135 67 V CA -0.987 61.304 62.300 -0.014 0.000 1.022 67 V CB 1.909 33.718 31.823 -0.024 0.000 1.056 67 V HN 0.241 nan 8.190 nan 0.000 0.436 68 N N 1.842 120.538 118.700 -0.008 0.000 2.602 68 N HA 0.247 4.987 4.740 0.000 0.000 0.238 68 N C 0.854 176.377 175.510 0.021 0.000 1.084 68 N CA -0.088 52.965 53.050 0.007 0.000 0.952 68 N CB 0.875 39.365 38.487 0.005 0.000 1.244 68 N HN 0.802 nan 8.380 nan 0.000 0.512 69 K N 1.273 121.688 120.400 0.024 0.000 2.127 69 K HA -0.178 4.142 4.320 0.000 0.000 0.208 69 K C 0.723 177.362 176.600 0.066 0.000 1.047 69 K CA 1.438 57.748 56.287 0.038 0.000 0.927 69 K CB 0.262 32.783 32.500 0.034 0.000 0.716 69 K HN 0.525 nan 8.250 nan 0.000 0.450 70 D N 0.894 121.334 120.400 0.067 0.000 2.117 70 D HA -0.127 4.513 4.640 0.000 0.000 0.198 70 D C 1.506 177.877 176.300 0.119 0.000 0.982 70 D CA 1.087 55.142 54.000 0.091 0.000 0.828 70 D CB -0.153 40.691 40.800 0.073 0.000 0.967 70 D HN 0.193 nan 8.370 nan 0.000 0.464 71 D N 1.027 121.486 120.400 0.097 0.000 2.097 71 D HA -0.091 4.549 4.640 0.000 0.000 0.195 71 D C 2.368 178.775 176.300 0.179 0.000 0.989 71 D CA 0.461 54.533 54.000 0.119 0.000 0.827 71 D CB -0.351 40.484 40.800 0.058 0.000 0.966 71 D HN 0.274 nan 8.370 nan 0.000 0.456 72 I N 0.887 121.538 120.570 0.135 0.000 2.264 72 I HA -0.227 3.943 4.170 0.000 0.000 0.248 72 I C 2.437 178.718 176.117 0.273 0.000 1.111 72 I CA 0.727 62.140 61.300 0.187 0.000 1.382 72 I CB -0.195 37.857 38.000 0.087 0.000 1.060 72 I HN -0.032 nan 8.210 nan 0.000 0.418 73 I N 0.458 121.148 120.570 0.199 0.000 2.286 73 I HA -0.244 3.926 4.170 0.000 0.000 0.248 73 I C 2.518 178.810 176.117 0.291 0.000 1.115 73 I CA 1.159 62.578 61.300 0.198 0.000 1.392 73 I CB -0.387 37.733 38.000 0.201 0.000 1.065 73 I HN 0.246 nan 8.210 nan 0.000 0.418 74 E N -0.066 120.323 120.200 0.315 0.000 2.072 74 E HA -0.254 4.096 4.350 0.000 0.000 0.191 74 E C 1.717 178.530 176.600 0.356 0.000 0.985 74 E CA 1.154 57.758 56.400 0.341 0.000 0.801 74 E CB -0.466 29.444 29.700 0.350 0.000 0.750 74 E HN 0.608 nan 8.360 nan 0.000 0.452 75 W N 1.873 123.315 121.300 0.236 0.000 2.355 75 W HA -0.133 4.527 4.660 -0.000 0.000 0.309 75 W C 2.003 178.588 176.519 0.109 0.000 1.206 75 W CA 1.465 58.952 57.345 0.236 0.000 1.284 75 W CB -0.449 29.119 29.460 0.179 0.000 1.145 75 W HN -0.065 nan 8.180 nan 0.000 0.502 76 I N -0.589 120.020 120.570 0.065 0.000 2.163 76 I HA -0.378 3.792 4.170 0.000 0.000 0.243 76 I C 2.144 178.165 176.117 -0.159 0.000 1.085 76 I CA 1.549 62.720 61.300 -0.215 0.000 1.347 76 I CB -0.986 36.931 38.000 -0.138 0.000 1.044 76 I HN -0.064 nan 8.210 nan 0.000 0.408 77 Y N 1.206 121.502 120.300 -0.008 0.000 2.403 77 Y HA -0.213 4.337 4.550 0.000 0.000 0.291 77 Y C 2.921 178.671 175.900 -0.251 0.000 1.143 77 Y CA 1.381 59.453 58.100 -0.047 0.000 1.257 77 Y CB -0.616 37.823 38.460 -0.036 0.000 0.984 77 Y HN 0.281 nan 8.280 nan 0.000 0.550 78 S N -1.063 114.489 115.700 -0.246 0.000 2.555 78 S HA -0.048 4.422 4.470 0.000 0.000 0.230 78 S C 1.452 175.810 174.600 -0.402 0.000 0.978 78 S CA 0.593 58.491 58.200 -0.503 0.000 0.934 78 S CB -0.602 62.030 63.200 -0.947 0.000 0.766 78 S HN 0.487 nan 8.310 nan 0.000 0.533 79 L N 0.479 121.487 121.223 -0.359 0.000 2.607 79 L HA 0.304 4.644 4.340 0.000 0.000 0.228 79 L C 1.188 177.839 176.870 -0.366 0.000 1.123 79 L CA -0.070 54.583 54.840 -0.312 0.000 0.890 79 L CB -0.093 41.781 42.059 -0.307 0.000 1.103 79 L HN 0.394 nan 8.230 nan 0.000 0.468 80 Q N 1.270 120.730 119.800 -0.567 0.000 2.288 80 Q HA 0.203 4.543 4.340 0.000 0.000 0.258 80 Q C -0.692 174.984 176.000 -0.539 0.000 0.957 80 Q CA -0.262 54.944 55.803 -0.995 0.000 0.919 80 Q CB 1.548 29.662 28.738 -1.040 0.000 1.185 80 Q HN -0.029 nan 8.270 nan 0.000 0.408 81 V N 6.999 126.632 119.914 -0.468 0.000 2.338 81 V HA 0.155 4.275 4.120 0.000 0.000 0.255 81 V C 0.168 176.115 176.094 -0.244 0.000 1.082 81 V CA -0.116 62.018 62.300 -0.278 0.000 0.951 81 V CB 0.012 31.716 31.823 -0.197 0.000 1.102 81 V HN 0.727 nan 8.190 nan 0.000 0.489 82 L N 7.242 128.338 121.223 -0.211 0.000 2.399 82 L HA 0.435 4.775 4.340 0.000 0.000 0.266 82 L C -2.128 174.670 176.870 -0.121 0.000 1.114 82 L CA -1.822 52.919 54.840 -0.165 0.000 0.804 82 L CB 0.913 42.881 42.059 -0.153 0.000 1.146 82 L HN 0.365 nan 8.230 nan 0.000 0.451 83 P HA 0.092 nan 4.420 nan 0.000 0.271 83 P C -0.486 176.770 177.300 -0.073 0.000 1.216 83 P CA -0.415 62.637 63.100 -0.080 0.000 0.776 83 P CB 0.606 32.264 31.700 -0.071 0.000 0.881 84 T N -1.497 113.019 114.554 -0.063 0.000 2.754 84 T HA 0.330 4.680 4.350 0.000 0.000 0.286 84 T C 1.669 176.339 174.700 -0.051 0.000 0.997 84 T CA 0.127 62.193 62.100 -0.056 0.000 0.982 84 T CB -0.177 68.662 68.868 -0.049 0.000 1.027 84 T HN 0.387 nan 8.240 nan 0.000 0.529 85 E N 1.218 121.390 120.200 -0.046 0.000 2.048 85 E HA -0.272 4.078 4.350 0.000 0.000 0.202 85 E C 1.601 178.177 176.600 -0.039 0.000 1.021 85 E CA 2.056 58.431 56.400 -0.041 0.000 0.825 85 E CB -1.629 28.049 29.700 -0.037 0.000 0.756 85 E HN 0.971 nan 8.360 nan 0.000 0.454 86 D N -0.373 120.005 120.400 -0.038 0.000 2.371 86 D HA -0.104 4.536 4.640 0.000 0.000 0.221 86 D C 0.529 176.807 176.300 -0.037 0.000 0.986 86 D CA 0.604 54.583 54.000 -0.035 0.000 0.899 86 D CB -0.471 40.309 40.800 -0.034 0.000 0.902 86 D HN 0.555 nan 8.370 nan 0.000 0.530 87 R N -0.320 120.155 120.500 -0.042 0.000 3.627 87 R HA -0.173 4.167 4.340 0.000 0.000 0.281 87 R C 0.798 177.073 176.300 -0.041 0.000 1.140 87 R CA 0.887 56.961 56.100 -0.043 0.000 0.761 87 R CB -2.895 27.381 30.300 -0.041 0.000 1.181 87 R HN 0.476 nan 8.270 nan 0.000 0.472 88 S N 0.135 115.811 115.700 -0.041 0.000 2.603 88 S HA -0.044 4.426 4.470 0.000 0.000 0.220 88 S C 1.087 175.662 174.600 -0.043 0.000 0.967 88 S CA 0.441 58.618 58.200 -0.040 0.000 0.920 88 S CB 0.052 63.229 63.200 -0.039 0.000 0.773 88 S HN 0.551 nan 8.310 nan 0.000 0.529 89 N N 1.156 119.828 118.700 -0.047 0.000 2.338 89 N HA 0.208 4.948 4.740 0.000 0.000 0.251 89 N C 0.908 176.387 175.510 -0.050 0.000 1.199 89 N CA -0.360 52.661 53.050 -0.050 0.000 0.879 89 N CB -0.434 38.020 38.487 -0.054 0.000 1.159 89 N HN 0.327 nan 8.380 nan 0.000 0.514 90 L N 0.327 121.522 121.223 -0.045 0.000 2.042 90 L HA -0.138 4.202 4.340 0.000 0.000 0.210 90 L C 1.029 177.876 176.870 -0.039 0.000 1.076 90 L CA 1.402 56.215 54.840 -0.044 0.000 0.749 90 L CB -0.261 41.775 42.059 -0.038 0.000 0.893 90 L HN 0.112 nan 8.230 nan 0.000 0.432 91 D N -0.003 120.376 120.400 -0.034 0.000 2.403 91 D HA -0.112 4.528 4.640 0.000 0.000 0.227 91 D C 1.536 177.817 176.300 -0.031 0.000 0.995 91 D CA 0.849 54.832 54.000 -0.028 0.000 0.928 91 D CB 0.053 40.838 40.800 -0.026 0.000 0.887 91 D HN 0.407 nan 8.370 nan 0.000 0.529 92 R N -0.678 119.798 120.500 -0.040 0.000 2.535 92 R HA 0.195 4.535 4.340 0.000 0.000 0.323 92 R C 0.142 176.409 176.300 -0.054 0.000 0.979 92 R CA -0.239 55.836 56.100 -0.043 0.000 1.120 92 R CB 0.568 30.841 30.300 -0.045 0.000 1.306 92 R HN 0.025 nan 8.270 nan 0.000 0.540 93 C N 0.700 119.965 119.300 -0.058 0.000 2.520 93 C HA 0.771 5.231 4.460 0.000 0.000 0.376 93 C C 1.390 176.345 174.990 -0.059 0.000 1.268 93 C CA 0.226 59.196 59.018 -0.080 0.000 2.414 93 C CB 0.946 28.636 27.740 -0.084 0.000 2.521 93 C HN 0.775 nan 8.230 nan 0.000 0.618 94 G N 0.581 109.325 108.800 -0.093 0.000 2.366 94 G HA2 0.287 4.247 3.960 0.000 0.000 0.190 94 G HA3 0.287 4.247 3.960 0.000 0.000 0.190 94 G C -1.635 173.209 174.900 -0.094 0.000 1.299 94 G CA -0.525 44.587 45.100 0.020 0.000 1.056 94 G HN 0.422 nan 8.290 nan 0.000 0.468 95 F N 1.219 121.123 119.950 -0.077 0.000 2.561 95 F HA 0.769 5.296 4.527 0.000 0.000 0.321 95 F C 0.900 176.656 175.800 -0.074 0.000 1.065 95 F CA -0.740 57.197 58.000 -0.104 0.000 0.934 95 F CB 2.041 40.954 39.000 -0.144 0.000 1.215 95 F HN 0.385 nan 8.300 nan 0.000 0.471 96 R N 0.081 120.613 120.500 0.053 0.000 2.532 96 R HA 0.462 4.802 4.340 0.000 0.000 0.272 96 R C 0.994 177.320 176.300 0.043 0.000 1.032 96 R CA -0.303 55.823 56.100 0.044 0.000 1.089 96 R CB 0.677 30.954 30.300 -0.037 0.000 1.098 96 R HN 0.912 nan 8.270 nan 0.000 0.526 97 G N 0.026 108.874 108.800 0.081 0.000 2.464 97 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 97 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 97 G C 0.326 175.263 174.900 0.061 0.000 1.138 97 G CA 0.923 46.030 45.100 0.013 0.000 0.793 97 G HN 0.638 nan 8.290 nan 0.000 0.539 98 S N -2.000 113.793 115.700 0.155 0.000 2.694 98 S HA 0.341 4.811 4.470 0.000 0.000 0.273 98 S C 0.455 175.155 174.600 0.166 0.000 1.180 98 S CA 0.498 58.808 58.200 0.183 0.000 0.864 98 S CB 0.734 64.103 63.200 0.282 0.000 1.198 98 S HN 0.492 nan 8.310 nan 0.000 0.499 99 S N 0.250 116.048 115.700 0.163 0.000 2.660 99 S HA 0.097 4.567 4.470 0.000 0.000 0.227 99 S C 1.374 176.000 174.600 0.044 0.000 0.948 99 S CA 0.243 58.481 58.200 0.062 0.000 0.948 99 S CB -1.365 61.911 63.200 0.127 0.000 0.779 99 S HN 1.028 nan 8.310 nan 0.000 0.487 100 Y N 0.820 121.141 120.300 0.035 0.000 2.446 100 Y HA 0.025 4.575 4.550 0.000 0.000 0.287 100 Y C 1.460 177.371 175.900 0.019 0.000 1.159 100 Y CA 0.399 58.518 58.100 0.033 0.000 1.297 100 Y CB -0.718 37.759 38.460 0.028 0.000 0.974 100 Y HN 0.304 nan 8.280 nan 0.000 0.557 101 L N 0.351 121.204 121.223 -0.617 0.000 2.395 101 L HA 0.156 4.496 4.340 0.000 0.000 0.218 101 L C 1.809 178.598 176.870 -0.135 0.000 1.130 101 L CA 1.020 55.597 54.840 -0.438 0.000 0.826 101 L CB -0.626 41.051 42.059 -0.635 0.000 0.941 101 L HN 0.677 nan 8.230 nan 0.000 0.451 102 G N 0.743 109.494 108.800 -0.081 0.000 2.132 102 G HA2 -0.253 3.707 3.960 0.000 0.000 0.234 102 G HA3 -0.253 3.707 3.960 0.000 0.000 0.234 102 G C 0.217 175.130 174.900 0.021 0.000 0.989 102 G CA -0.334 44.771 45.100 0.008 0.000 0.676 102 G HN 0.257 nan 8.290 nan 0.000 0.522 103 I N 2.801 123.357 120.570 -0.023 0.000 2.496 103 I HA 0.203 4.373 4.170 0.000 0.000 0.285 103 I C -0.868 175.261 176.117 0.020 0.000 1.080 103 I CA -1.676 59.622 61.300 -0.003 0.000 1.404 103 I CB 0.704 38.665 38.000 -0.065 0.000 1.403 103 I HN 0.016 nan 8.210 nan 0.000 0.539 104 P HA -0.102 nan 4.420 nan 0.000 0.261 104 P C -0.395 176.962 177.300 0.095 0.000 1.183 104 P CA -0.060 63.087 63.100 0.077 0.000 0.761 104 P CB 0.260 31.995 31.700 0.058 0.000 0.785 105 F N 3.821 123.773 119.950 0.004 0.000 2.580 105 F HA -0.055 4.472 4.527 0.000 0.000 0.398 105 F C 0.529 176.328 175.800 -0.001 0.000 1.023 105 F CA 0.909 58.914 58.000 0.008 0.000 1.188 105 F CB -0.085 38.937 39.000 0.036 0.000 1.005 105 F HN 0.384 nan 8.300 nan 0.000 0.546 106 N N 7.446 125.850 118.700 -0.493 0.000 2.664 106 N HA 0.288 5.028 4.740 0.000 0.000 0.268 106 N C -2.839 172.400 175.510 -0.453 0.000 1.222 106 N CA -1.630 51.220 53.050 -0.333 0.000 0.805 106 N CB 1.303 39.690 38.487 -0.167 0.000 1.399 106 N HN 0.152 nan 8.380 nan 0.000 0.547 107 P HA 0.056 nan 4.420 nan 0.000 0.237 107 P C -0.689 176.511 177.300 -0.167 0.000 1.701 107 P CA 0.236 63.173 63.100 -0.271 0.000 0.955 107 P CB -0.542 31.095 31.700 -0.105 0.000 1.937 108 S N -0.932 114.661 115.700 -0.179 0.000 3.549 108 S HA -0.230 4.240 4.470 0.000 0.000 0.366 108 S C 1.441 175.931 174.600 -0.183 0.000 1.012 108 S CA 1.620 59.715 58.200 -0.175 0.000 1.141 108 S CB -1.649 61.453 63.200 -0.163 0.000 0.910 108 S HN 0.724 nan 8.310 nan 0.000 0.471 109 K N 0.253 120.566 120.400 -0.145 0.000 2.172 109 K HA 0.204 4.524 4.320 0.000 0.000 0.203 109 K C 0.560 177.106 176.600 -0.091 0.000 1.040 109 K CA 1.032 57.253 56.287 -0.110 0.000 0.974 109 K CB -0.077 32.379 32.500 -0.073 0.000 0.857 109 K HN 0.565 nan 8.250 nan 0.000 0.464 110 N N 0.611 119.261 118.700 -0.084 0.000 2.502 110 N HA 0.407 5.147 4.740 0.000 0.000 0.280 110 N C -2.640 172.822 175.510 -0.080 0.000 1.223 110 N CA -1.807 51.201 53.050 -0.070 0.000 0.966 110 N CB 0.693 39.149 38.487 -0.052 0.000 1.203 110 N HN -0.011 nan 8.380 nan 0.000 0.565 111 P HA 0.137 nan 4.420 nan 0.000 0.272 111 P C 0.117 177.372 177.300 -0.075 0.000 1.240 111 P CA -0.224 62.833 63.100 -0.072 0.000 0.791 111 P CB 0.199 31.863 31.700 -0.059 0.000 0.978 112 G N 0.330 109.082 108.800 -0.081 0.000 2.380 112 G HA2 0.348 4.308 3.960 0.000 0.000 0.242 112 G HA3 0.348 4.308 3.960 0.000 0.000 0.242 112 G C -0.188 174.676 174.900 -0.060 0.000 1.298 112 G CA -0.199 44.852 45.100 -0.081 0.000 0.878 112 G HN 0.532 nan 8.290 nan 0.000 0.542 113 T N 0.088 114.611 114.554 -0.052 0.000 2.738 113 T HA 0.624 4.974 4.350 0.000 0.000 0.298 113 T C 0.641 175.335 174.700 -0.010 0.000 0.962 113 T CA -0.087 61.995 62.100 -0.029 0.000 0.972 113 T CB 1.309 70.165 68.868 -0.020 0.000 0.928 113 T HN 1.063 nan 8.240 nan 0.000 0.474 114 A N 3.182 125.993 122.820 -0.015 0.000 2.586 114 A HA 0.315 4.635 4.320 0.000 0.000 0.231 114 A C 0.351 177.961 177.584 0.043 0.000 1.055 114 A CA 0.174 52.208 52.037 -0.006 0.000 0.756 114 A CB -0.189 18.792 19.000 -0.032 0.000 0.988 114 A HN 1.095 nan 8.150 nan 0.000 0.509 115 H N 2.313 121.341 119.070 -0.071 0.000 3.163 115 H HA 0.272 4.828 4.556 0.000 0.000 0.322 115 H C -2.528 172.739 175.328 -0.102 0.000 1.047 115 H CA -1.186 54.826 56.048 -0.061 0.000 1.418 115 H CB 1.564 31.298 29.762 -0.047 0.000 2.016 115 H HN 0.353 nan 8.280 nan 0.000 0.454 116 P HA -0.120 nan 4.420 nan 0.000 0.217 116 P C 0.076 177.122 177.300 -0.424 0.000 1.148 116 P CA 1.525 64.468 63.100 -0.263 0.000 0.834 116 P CB 0.092 31.557 31.700 -0.391 0.000 0.783 117 Y N -2.609 117.912 120.300 0.369 0.000 2.707 117 Y HA 0.275 4.825 4.550 -0.000 0.000 0.249 117 Y C 0.142 175.985 175.900 -0.096 0.000 1.166 117 Y CA -1.011 57.154 58.100 0.108 0.000 1.184 117 Y CB -0.032 38.500 38.460 0.119 0.000 1.240 117 Y HN -0.164 nan 8.280 nan 0.000 0.547 118 D N 0.841 121.187 120.400 -0.089 0.000 2.313 118 D HA 0.502 5.142 4.640 0.000 0.000 0.239 118 D C -0.442 175.801 176.300 -0.095 0.000 1.142 118 D CA 0.360 54.230 54.000 -0.216 0.000 0.847 118 D CB 0.755 41.370 40.800 -0.309 0.000 1.082 118 D HN -0.001 nan 8.370 nan 0.000 0.480 119 S N 1.256 116.918 115.700 -0.064 0.000 2.638 119 S HA 0.803 5.273 4.470 0.000 0.000 0.274 119 S C 0.052 174.643 174.600 -0.016 0.000 1.157 119 S CA -0.872 57.306 58.200 -0.036 0.000 0.826 119 S CB 1.628 64.825 63.200 -0.005 0.000 1.139 119 S HN 0.489 nan 8.310 nan 0.000 0.474 120 G N 0.067 108.858 108.800 -0.014 0.000 2.547 120 G HA2 0.494 4.454 3.960 0.000 0.000 0.291 120 G HA3 0.494 4.454 3.960 0.000 0.000 0.291 120 G C -1.032 173.909 174.900 0.069 0.000 1.211 120 G CA -0.085 45.031 45.100 0.027 0.000 0.950 120 G HN 0.632 nan 8.290 nan 0.000 0.504 121 H N 0.575 119.639 119.070 -0.010 0.000 2.744 121 H HA 0.222 4.778 4.556 0.000 0.000 0.339 121 H C 1.054 176.340 175.328 -0.070 0.000 1.004 121 H CA -0.687 55.328 56.048 -0.054 0.000 1.257 121 H CB 1.812 31.558 29.762 -0.026 0.000 1.552 121 H HN 0.392 nan 8.280 nan 0.000 0.522 122 I N 3.986 124.370 120.570 -0.310 0.000 2.181 122 I HA -0.359 3.811 4.170 0.000 0.000 0.247 122 I C 1.921 178.058 176.117 0.034 0.000 1.081 122 I CA 2.011 63.200 61.300 -0.185 0.000 1.340 122 I CB -0.056 37.735 38.000 -0.348 0.000 1.036 122 I HN 0.706 nan 8.210 nan 0.000 0.417 123 A N -0.203 122.759 122.820 0.237 0.000 2.014 123 A HA -0.135 4.185 4.320 0.000 0.000 0.218 123 A C 2.101 179.781 177.584 0.159 0.000 1.163 123 A CA 1.130 53.372 52.037 0.342 0.000 0.652 123 A CB -0.276 19.005 19.000 0.469 0.000 0.808 123 A HN 0.428 nan 8.150 nan 0.000 0.449 124 M N -0.712 118.990 119.600 0.169 0.000 2.334 124 M HA -0.006 4.474 4.480 0.000 0.000 0.266 124 M C 1.986 178.241 176.300 -0.075 0.000 1.082 124 M CA 1.515 56.811 55.300 -0.006 0.000 1.141 124 M CB -1.943 30.682 32.600 0.042 0.000 1.380 124 M HN 0.322 nan 8.290 nan 0.000 0.440 125 T N 0.416 114.984 114.554 0.024 0.000 2.777 125 T HA -0.153 4.197 4.350 0.000 0.000 0.266 125 T C 1.686 176.275 174.700 -0.186 0.000 1.040 125 T CA 1.342 63.426 62.100 -0.025 0.000 1.141 125 T CB -0.424 68.499 68.868 0.092 0.000 0.868 125 T HN 0.354 nan 8.240 nan 0.000 0.444 126 Y N 3.123 123.295 120.300 -0.214 0.000 2.070 126 Y HA -0.201 4.349 4.550 0.000 0.000 0.279 126 Y C 2.686 178.377 175.900 -0.349 0.000 1.134 126 Y CA 1.933 59.874 58.100 -0.264 0.000 1.113 126 Y CB -1.331 36.994 38.460 -0.226 0.000 0.981 126 Y HN 0.288 nan 8.280 nan 0.000 0.487 127 T N -1.803 112.173 114.554 -0.963 0.000 2.881 127 T HA -0.066 4.284 4.350 0.000 0.000 0.270 127 T C 2.212 176.536 174.700 -0.626 0.000 1.068 127 T CA 1.179 62.634 62.100 -1.076 0.000 1.131 127 T CB -1.403 66.960 68.868 -0.841 0.000 0.871 127 T HN 0.458 nan 8.240 nan 0.000 0.479 128 G N 1.930 110.375 108.800 -0.591 0.000 2.453 128 G HA2 -0.053 3.907 3.960 0.000 0.000 0.215 128 G HA3 -0.053 3.907 3.960 0.000 0.000 0.215 128 G C 1.496 175.972 174.900 -0.707 0.000 1.201 128 G CA 0.750 45.412 45.100 -0.729 0.000 0.784 128 G HN 0.505 nan 8.290 nan 0.000 0.545 129 L N 0.538 121.350 121.223 -0.686 0.000 2.012 129 L HA -0.129 4.211 4.340 0.000 0.000 0.210 129 L C 3.115 179.837 176.870 -0.246 0.000 1.073 129 L CA 1.396 55.992 54.840 -0.406 0.000 0.748 129 L CB -0.557 41.359 42.059 -0.238 0.000 0.891 129 L HN 0.342 nan 8.230 nan 0.000 0.431 130 S N -0.906 114.634 115.700 -0.266 0.000 2.359 130 S HA -0.245 4.225 4.470 0.000 0.000 0.224 130 S C 2.194 176.745 174.600 -0.082 0.000 1.035 130 S CA 1.727 59.833 58.200 -0.157 0.000 1.018 130 S CB -0.350 62.646 63.200 -0.341 0.000 0.876 130 S HN 0.505 nan 8.310 nan 0.000 0.448 131 C N 1.027 120.250 119.300 -0.128 0.000 2.432 131 C HA 0.016 4.476 4.460 0.000 0.000 0.277 131 C C 2.545 177.482 174.990 -0.088 0.000 1.249 131 C CA 0.744 59.717 59.018 -0.074 0.000 1.725 131 C CB -1.595 26.096 27.740 -0.083 0.000 2.028 131 C HN 0.594 nan 8.230 nan 0.000 0.477 132 L N 0.327 121.459 121.223 -0.152 0.000 2.012 132 L HA -0.205 4.135 4.340 0.000 0.000 0.210 132 L C 2.390 179.239 176.870 -0.035 0.000 1.073 132 L CA 1.677 56.447 54.840 -0.117 0.000 0.748 132 L CB -0.564 41.374 42.059 -0.201 0.000 0.891 132 L HN 0.380 nan 8.230 nan 0.000 0.431 133 I N -0.245 120.306 120.570 -0.032 0.000 2.179 133 I HA -0.322 3.848 4.170 0.000 0.000 0.242 133 I C 2.426 178.540 176.117 -0.006 0.000 1.088 133 I CA 1.500 62.798 61.300 -0.003 0.000 1.357 133 I CB -0.252 37.744 38.000 -0.006 0.000 1.051 133 I HN 0.188 nan 8.210 nan 0.000 0.409 134 I N 0.538 121.099 120.570 -0.014 0.000 2.264 134 I HA -0.285 3.885 4.170 0.000 0.000 0.248 134 I C 2.127 178.234 176.117 -0.018 0.000 1.111 134 I CA 1.455 62.742 61.300 -0.021 0.000 1.382 134 I CB -0.246 37.728 38.000 -0.045 0.000 1.060 134 I HN 0.236 nan 8.210 nan 0.000 0.418 135 L N 0.303 121.518 121.223 -0.012 0.000 2.599 135 L HA 0.117 4.457 4.340 0.000 0.000 0.230 135 L C 1.644 178.528 176.870 0.024 0.000 1.141 135 L CA 0.655 55.498 54.840 0.004 0.000 0.877 135 L CB -0.321 41.746 42.059 0.014 0.000 1.009 135 L HN 0.527 nan 8.230 nan 0.000 0.447 136 G N 0.033 108.848 108.800 0.024 0.000 2.195 136 G HA2 -0.333 3.627 3.960 0.000 0.000 0.246 136 G HA3 -0.333 3.627 3.960 0.000 0.000 0.246 136 G C 0.166 175.103 174.900 0.063 0.000 0.984 136 G CA 0.283 45.405 45.100 0.036 0.000 0.633 136 G HN 0.458 nan 8.290 nan 0.000 0.525 137 D N 0.691 121.140 120.400 0.081 0.000 2.378 137 D HA 0.391 5.031 4.640 0.000 0.000 0.238 137 D C 1.347 177.735 176.300 0.146 0.000 1.180 137 D CA 0.629 54.709 54.000 0.133 0.000 0.895 137 D CB 0.466 41.370 40.800 0.174 0.000 1.192 137 D HN 0.310 nan 8.370 nan 0.000 0.438 138 D N 1.515 122.027 120.400 0.186 0.000 2.363 138 D HA 0.059 4.699 4.640 0.000 0.000 0.214 138 D C 0.643 177.138 176.300 0.324 0.000 1.093 138 D CA -0.273 53.867 54.000 0.234 0.000 0.837 138 D CB -0.042 40.887 40.800 0.214 0.000 0.948 138 D HN 0.315 nan 8.370 nan 0.000 0.507 139 L N 0.280 121.682 121.223 0.299 0.000 4.429 139 L HA -0.297 4.043 4.340 0.000 0.000 0.422 139 L C 1.768 178.750 176.870 0.187 0.000 1.149 139 L CA 1.028 56.049 54.840 0.302 0.000 0.972 139 L CB -2.959 39.303 42.059 0.339 0.000 2.059 139 L HN 0.345 nan 8.230 nan 0.000 0.870 140 S N -1.389 114.393 115.700 0.138 0.000 2.402 140 S HA -0.112 4.358 4.470 0.000 0.000 0.229 140 S C 1.706 176.282 174.600 -0.040 0.000 1.021 140 S CA 1.204 59.409 58.200 0.008 0.000 0.974 140 S CB -0.188 63.015 63.200 0.005 0.000 0.800 140 S HN 0.625 nan 8.310 nan 0.000 0.484 141 R N 0.704 121.173 120.500 -0.052 0.000 2.310 141 R HA 0.319 4.659 4.340 0.000 0.000 0.202 141 R C -0.547 175.776 176.300 0.038 0.000 0.933 141 R CA -0.063 55.909 56.100 -0.213 0.000 1.054 141 R CB 0.154 29.951 30.300 -0.839 0.000 0.985 141 R HN 0.259 nan 8.270 nan 0.000 0.489 142 V N 1.680 121.713 119.914 0.198 0.000 2.461 142 V HA 0.007 4.127 4.120 0.000 0.000 0.275 142 V C 0.291 176.410 176.094 0.041 0.000 1.047 142 V CA -0.543 61.892 62.300 0.224 0.000 0.955 142 V CB 1.408 33.382 31.823 0.251 0.000 0.988 142 V HN 0.103 nan 8.190 nan 0.000 0.471 143 D N 4.667 125.069 120.400 0.004 0.000 2.608 143 D HA 0.091 4.731 4.640 0.000 0.000 0.224 143 D C 1.314 177.587 176.300 -0.044 0.000 1.123 143 D CA -0.029 53.941 54.000 -0.050 0.000 1.030 143 D CB 0.325 41.082 40.800 -0.071 0.000 1.093 143 D HN 0.523 nan 8.370 nan 0.000 0.497 144 K N 0.905 121.266 120.400 -0.065 0.000 2.097 144 K HA -0.226 4.094 4.320 0.000 0.000 0.214 144 K C 1.577 178.138 176.600 -0.066 0.000 1.052 144 K CA 1.239 57.480 56.287 -0.077 0.000 0.932 144 K CB 0.209 32.613 32.500 -0.161 0.000 0.716 144 K HN 0.306 nan 8.250 nan 0.000 0.455 145 E N 0.222 120.378 120.200 -0.074 0.000 2.077 145 E HA -0.149 4.201 4.350 0.000 0.000 0.193 145 E C 2.100 178.672 176.600 -0.046 0.000 0.989 145 E CA 1.233 57.597 56.400 -0.059 0.000 0.800 145 E CB -0.239 29.425 29.700 -0.060 0.000 0.746 145 E HN 0.371 nan 8.360 nan 0.000 0.452 146 A N 0.827 123.617 122.820 -0.050 0.000 1.902 146 A HA -0.192 4.128 4.320 0.000 0.000 0.217 146 A C 2.660 180.222 177.584 -0.037 0.000 1.181 146 A CA 1.496 53.504 52.037 -0.049 0.000 0.623 146 A CB -0.948 18.013 19.000 -0.064 0.000 0.818 146 A HN 0.346 nan 8.150 nan 0.000 0.443 147 C N -0.709 118.576 119.300 -0.024 0.000 2.432 147 C HA -0.077 4.383 4.460 0.000 0.000 0.277 147 C C 2.642 177.624 174.990 -0.013 0.000 1.249 147 C CA 1.060 60.078 59.018 -0.000 0.000 1.725 147 C CB -1.559 26.206 27.740 0.042 0.000 2.028 147 C HN 0.628 nan 8.230 nan 0.000 0.477 148 L N 1.037 122.245 121.223 -0.025 0.000 2.083 148 L HA -0.159 4.181 4.340 0.000 0.000 0.209 148 L C 2.863 179.729 176.870 -0.007 0.000 1.083 148 L CA 1.506 56.331 54.840 -0.025 0.000 0.752 148 L CB -0.768 41.271 42.059 -0.034 0.000 0.899 148 L HN 0.360 nan 8.230 nan 0.000 0.433 149 A N 0.408 123.220 122.820 -0.014 0.000 1.877 149 A HA -0.119 4.201 4.320 0.000 0.000 0.216 149 A C 2.428 180.010 177.584 -0.004 0.000 1.186 149 A CA 1.736 53.767 52.037 -0.010 0.000 0.620 149 A CB -1.256 17.731 19.000 -0.022 0.000 0.822 149 A HN 0.425 nan 8.150 nan 0.000 0.443 150 G N -0.405 108.388 108.800 -0.010 0.000 2.418 150 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 150 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 150 G C 1.593 176.500 174.900 0.013 0.000 1.158 150 G CA 0.933 46.028 45.100 -0.008 0.000 0.771 150 G HN 0.409 nan 8.290 nan 0.000 0.545 151 L N -0.138 121.096 121.223 0.019 0.000 1.989 151 L HA -0.111 4.229 4.340 0.000 0.000 0.211 151 L C 3.234 180.200 176.870 0.161 0.000 1.071 151 L CA 1.455 56.330 54.840 0.058 0.000 0.749 151 L CB -0.294 41.770 42.059 0.008 0.000 0.890 151 L HN 0.215 nan 8.230 nan 0.000 0.431 152 R N -0.545 120.021 120.500 0.110 0.000 2.096 152 R HA -0.229 4.111 4.340 0.000 0.000 0.240 152 R C 2.202 178.533 176.300 0.051 0.000 1.139 152 R CA 1.582 57.740 56.100 0.098 0.000 0.952 152 R CB -0.574 29.755 30.300 0.048 0.000 0.854 152 R HN 0.477 nan 8.270 nan 0.000 0.436 153 A N 0.850 123.688 122.820 0.031 0.000 2.076 153 A HA -0.130 4.190 4.320 0.000 0.000 0.220 153 A C 2.039 179.623 177.584 0.000 0.000 1.160 153 A CA 1.204 53.242 52.037 0.003 0.000 0.653 153 A CB -0.405 18.592 19.000 -0.005 0.000 0.801 153 A HN 0.226 nan 8.150 nan 0.000 0.455 154 L N -1.169 120.087 121.223 0.054 0.000 2.418 154 L HA 0.024 4.364 4.340 0.000 0.000 0.218 154 L C 1.459 178.309 176.870 -0.033 0.000 1.125 154 L CA 0.048 54.930 54.840 0.070 0.000 0.835 154 L CB -0.262 41.898 42.059 0.169 0.000 0.953 154 L HN 0.520 nan 8.230 nan 0.000 0.454 155 Q N 1.412 121.065 119.800 -0.244 0.000 2.332 155 Q HA 0.287 4.627 4.340 0.000 0.000 0.263 155 Q C -0.546 175.212 176.000 -0.403 0.000 0.979 155 Q CA -0.064 55.271 55.803 -0.780 0.000 0.885 155 Q CB 0.898 29.047 28.738 -0.982 0.000 1.218 155 Q HN 0.236 nan 8.270 nan 0.000 0.405 156 L N 2.453 123.441 121.223 -0.391 0.000 2.448 156 L HA 0.313 4.653 4.340 0.000 0.000 0.258 156 L C 1.805 178.569 176.870 -0.177 0.000 1.104 156 L CA 0.046 54.759 54.840 -0.212 0.000 0.800 156 L CB 0.378 42.343 42.059 -0.157 0.000 1.241 156 L HN 0.891 nan 8.230 nan 0.000 0.472 157 E N 0.674 120.814 120.200 -0.099 0.000 2.118 157 E HA -0.249 4.101 4.350 0.000 0.000 0.195 157 E C 1.282 177.854 176.600 -0.047 0.000 0.992 157 E CA 1.603 57.964 56.400 -0.064 0.000 0.804 157 E CB -0.834 28.846 29.700 -0.034 0.000 0.741 157 E HN 0.872 nan 8.360 nan 0.000 0.458 158 D N -1.981 118.400 120.400 -0.030 0.000 2.363 158 D HA 0.231 4.871 4.640 0.000 0.000 0.226 158 D C 1.501 177.831 176.300 0.050 0.000 1.020 158 D CA 1.161 55.190 54.000 0.048 0.000 0.892 158 D CB -0.012 40.872 40.800 0.140 0.000 0.900 158 D HN 0.838 nan 8.370 nan 0.000 0.531 159 G N -0.118 108.619 108.800 -0.106 0.000 2.258 159 G HA2 -0.301 3.659 3.960 0.000 0.000 0.233 159 G HA3 -0.301 3.659 3.960 0.000 0.000 0.233 159 G C 0.587 175.266 174.900 -0.368 0.000 1.006 159 G CA 0.442 45.452 45.100 -0.150 0.000 0.620 159 G HN 0.818 nan 8.290 nan 0.000 0.511 160 S N -0.084 115.255 115.700 -0.602 0.000 2.640 160 S HA 0.802 5.272 4.470 0.000 0.000 0.262 160 S C -0.080 174.240 174.600 -0.467 0.000 1.232 160 S CA -0.141 57.637 58.200 -0.703 0.000 0.988 160 S CB 1.118 63.582 63.200 -1.227 0.000 1.034 160 S HN 0.599 nan 8.310 nan 0.000 0.569 161 F N -1.576 118.289 119.950 -0.142 0.000 2.611 161 F HA 0.612 5.139 4.527 -0.000 0.000 0.324 161 F C 0.275 176.129 175.800 0.090 0.000 1.061 161 F CA -1.040 56.949 58.000 -0.018 0.000 0.954 161 F CB 1.447 40.457 39.000 0.016 0.000 1.301 161 F HN 0.659 nan 8.300 nan 0.000 0.482 162 C N 0.377 119.788 119.300 0.184 0.000 2.407 162 C HA 0.708 5.168 4.460 0.000 0.000 0.366 162 C C 1.439 176.210 174.990 -0.365 0.000 1.213 162 C CA -0.057 58.980 59.018 0.032 0.000 2.011 162 C CB 1.402 29.133 27.740 -0.015 0.000 2.306 162 C HN 0.971 nan 8.230 nan 0.000 0.527 163 A N 0.603 122.961 122.820 -0.769 0.000 1.943 163 A HA 0.339 4.659 4.320 0.000 0.000 0.213 163 A C 0.638 177.798 177.584 -0.708 0.000 1.181 163 A CA 1.331 52.625 52.037 -1.237 0.000 0.653 163 A CB -0.226 17.791 19.000 -1.639 0.000 0.833 163 A HN 1.280 nan 8.150 nan 0.000 0.451 164 V N -4.926 114.769 119.914 -0.365 0.000 2.876 164 V HA 0.508 4.628 4.120 0.000 0.000 0.312 164 V C -2.338 173.707 176.094 -0.081 0.000 1.085 164 V CA -1.662 60.537 62.300 -0.169 0.000 0.945 164 V CB 1.820 33.610 31.823 -0.055 0.000 1.017 164 V HN 0.076 nan 8.190 nan 0.000 0.428 165 P HA -0.111 nan 4.420 nan 0.000 0.219 165 P C 0.942 178.240 177.300 -0.002 0.000 1.146 165 P CA 1.376 64.462 63.100 -0.024 0.000 0.808 165 P CB 0.403 32.091 31.700 -0.021 0.000 0.779 166 E N -0.197 120.014 120.200 0.020 0.000 2.409 166 E HA 0.214 4.564 4.350 0.000 0.000 0.198 166 E C 1.132 177.757 176.600 0.042 0.000 1.024 166 E CA 0.887 57.316 56.400 0.049 0.000 0.861 166 E CB -0.641 29.119 29.700 0.099 0.000 0.788 166 E HN 0.368 nan 8.360 nan 0.000 0.521 167 G N -0.549 108.264 108.800 0.021 0.000 2.640 167 G HA2 0.244 4.204 3.960 0.000 0.000 0.686 167 G HA3 0.244 4.204 3.960 0.000 0.000 0.686 167 G C -0.358 174.561 174.900 0.033 0.000 1.229 167 G CA -0.502 44.612 45.100 0.024 0.000 0.796 167 G HN 0.639 nan 8.290 nan 0.000 0.654 168 S N -0.527 115.200 115.700 0.045 0.000 2.660 168 S HA 0.718 5.188 4.470 0.000 0.000 0.264 168 S C -0.436 174.237 174.600 0.121 0.000 1.131 168 S CA 0.144 58.394 58.200 0.083 0.000 0.846 168 S CB 1.380 64.618 63.200 0.064 0.000 1.151 168 S HN 2.097 nan 8.310 nan 0.000 0.486 169 E N 1.337 121.644 120.200 0.177 0.000 2.392 169 E HA 0.327 4.677 4.350 0.000 0.000 0.256 169 E C -0.791 175.962 176.600 0.255 0.000 1.145 169 E CA -0.415 56.088 56.400 0.172 0.000 0.929 169 E CB 0.108 29.896 29.700 0.147 0.000 0.998 169 E HN 0.776 nan 8.360 nan 0.000 0.442 170 N N 0.418 119.220 118.700 0.171 0.000 2.249 170 N HA 0.394 5.135 4.740 0.000 0.000 0.296 170 N C -1.422 174.127 175.510 0.065 0.000 1.051 170 N CA -0.524 52.636 53.050 0.183 0.000 0.815 170 N CB 2.161 40.707 38.487 0.098 0.000 1.487 170 N HN 0.624 nan 8.380 nan 0.000 0.475 171 D N -0.269 120.124 120.400 -0.013 0.000 2.792 171 D HA 0.123 4.763 4.640 0.000 0.000 0.335 171 D C 0.551 176.843 176.300 -0.013 0.000 1.353 171 D CA -0.659 53.338 54.000 -0.005 0.000 0.839 171 D CB 0.446 41.197 40.800 -0.081 0.000 1.396 171 D HN 0.214 nan 8.370 nan 0.000 0.479 172 M N 0.066 119.732 119.600 0.110 0.000 2.267 172 M HA 0.050 4.530 4.480 0.000 0.000 0.263 172 M C 1.788 178.104 176.300 0.027 0.000 1.063 172 M CA 1.717 57.099 55.300 0.137 0.000 1.090 172 M CB -0.391 32.278 32.600 0.114 0.000 1.392 172 M HN 0.458 nan 8.290 nan 0.000 0.422 173 R N -1.267 119.141 120.500 -0.153 0.000 2.096 173 R HA -0.169 4.171 4.340 0.000 0.000 0.240 173 R C 2.071 178.390 176.300 0.031 0.000 1.139 173 R CA 2.095 58.102 56.100 -0.156 0.000 0.952 173 R CB -0.722 29.310 30.300 -0.446 0.000 0.854 173 R HN 0.429 nan 8.270 nan 0.000 0.436 174 F N -0.245 119.756 119.950 0.084 0.000 2.407 174 F HA -0.099 4.428 4.527 0.000 0.000 0.299 174 F C 2.267 178.014 175.800 -0.088 0.000 1.097 174 F CA -0.091 57.917 58.000 0.012 0.000 1.422 174 F CB -0.021 39.002 39.000 0.039 0.000 1.067 174 F HN -0.159 nan 8.300 nan 0.000 0.539 175 V N -0.412 119.607 119.914 0.174 0.000 2.358 175 V HA -0.322 3.798 4.120 0.000 0.000 0.246 175 V C 2.029 178.137 176.094 0.023 0.000 1.047 175 V CA 1.767 64.144 62.300 0.128 0.000 1.035 175 V CB -0.748 31.217 31.823 0.238 0.000 0.658 175 V HN 0.382 nan 8.190 nan 0.000 0.452 176 Y N 0.234 120.513 120.300 -0.034 0.000 2.200 176 Y HA -0.249 4.301 4.550 0.000 0.000 0.290 176 Y C 2.537 178.308 175.900 -0.216 0.000 1.137 176 Y CA 1.566 59.617 58.100 -0.083 0.000 1.163 176 Y CB -0.722 37.730 38.460 -0.014 0.000 0.988 176 Y HN 0.236 nan 8.280 nan 0.000 0.518 177 C N 0.360 119.499 119.300 -0.268 0.000 2.413 177 C HA -0.160 4.300 4.460 0.000 0.000 0.276 177 C C 3.081 177.778 174.990 -0.489 0.000 1.236 177 C CA 1.312 60.065 59.018 -0.441 0.000 1.735 177 C CB -1.756 25.954 27.740 -0.049 0.000 2.031 177 C HN 0.737 nan 8.230 nan 0.000 0.474 178 A N 0.410 122.918 122.820 -0.519 0.000 1.883 178 A HA -0.181 4.139 4.320 0.000 0.000 0.217 178 A C 2.258 179.569 177.584 -0.456 0.000 1.186 178 A CA 2.422 54.068 52.037 -0.651 0.000 0.624 178 A CB -0.896 17.261 19.000 -1.404 0.000 0.822 178 A HN 0.568 nan 8.150 nan 0.000 0.444 179 S N -0.821 114.674 115.700 -0.342 0.000 2.359 179 S HA -0.228 4.242 4.470 0.000 0.000 0.224 179 S C 1.969 176.352 174.600 -0.362 0.000 1.035 179 S CA 1.519 59.615 58.200 -0.172 0.000 1.018 179 S CB -0.806 62.414 63.200 0.034 0.000 0.876 179 S HN 0.717 nan 8.310 nan 0.000 0.448 180 C N 1.352 120.322 119.300 -0.549 0.000 2.413 180 C HA -0.025 4.435 4.460 0.000 0.000 0.276 180 C C 2.458 177.283 174.990 -0.275 0.000 1.248 180 C CA 0.339 59.060 59.018 -0.495 0.000 1.742 180 C CB -1.427 25.750 27.740 -0.938 0.000 2.017 180 C HN 0.548 nan 8.230 nan 0.000 0.481 181 I N -0.071 120.313 120.570 -0.310 0.000 2.179 181 I HA -0.246 3.924 4.170 0.000 0.000 0.242 181 I C 2.626 178.572 176.117 -0.285 0.000 1.088 181 I CA 1.481 62.655 61.300 -0.211 0.000 1.357 181 I CB -0.595 37.286 38.000 -0.198 0.000 1.051 181 I HN 0.371 nan 8.210 nan 0.000 0.409 182 C N -0.153 118.844 119.300 -0.505 0.000 2.413 182 C HA -0.241 4.219 4.460 0.000 0.000 0.276 182 C C 2.822 177.275 174.990 -0.896 0.000 1.248 182 C CA 0.843 59.364 59.018 -0.829 0.000 1.742 182 C CB -1.011 25.895 27.740 -1.390 0.000 2.017 182 C HN 0.509 nan 8.230 nan 0.000 0.481 183 Y N 0.935 120.722 120.300 -0.856 0.000 2.145 183 Y HA -0.220 4.330 4.550 0.000 0.000 0.286 183 Y C 2.505 178.365 175.900 -0.067 0.000 1.145 183 Y CA 1.864 59.765 58.100 -0.332 0.000 1.148 183 Y CB -0.350 38.063 38.460 -0.079 0.000 0.981 183 Y HN 0.247 nan 8.280 nan 0.000 0.507 184 M N -0.626 119.059 119.600 0.142 0.000 2.175 184 M HA -0.193 4.287 4.480 0.000 0.000 0.264 184 M C 1.784 178.238 176.300 0.258 0.000 1.063 184 M CA 1.426 56.859 55.300 0.221 0.000 1.119 184 M CB -0.267 32.420 32.600 0.145 0.000 1.377 184 M HN 0.265 nan 8.290 nan 0.000 0.415 185 L N 0.009 121.277 121.223 0.074 0.000 2.599 185 L HA -0.004 4.336 4.340 0.000 0.000 0.230 185 L C 0.455 177.336 176.870 0.018 0.000 1.141 185 L CA -0.096 54.822 54.840 0.130 0.000 0.877 185 L CB -0.853 41.196 42.059 -0.015 0.000 1.009 185 L HN 0.456 nan 8.230 nan 0.000 0.447 186 N N 1.939 120.485 118.700 -0.256 0.000 2.714 186 N HA -0.266 4.474 4.740 0.000 0.000 0.252 186 N C -0.455 174.924 175.510 -0.220 0.000 1.014 186 N CA 0.457 53.230 53.050 -0.462 0.000 0.735 186 N CB -0.925 36.931 38.487 -1.052 0.000 0.924 186 N HN 0.470 nan 8.380 nan 0.000 0.540 187 N N 0.021 118.563 118.700 -0.264 0.000 2.616 187 N HA 0.169 4.909 4.740 0.000 0.000 0.281 187 N C -0.842 174.538 175.510 -0.217 0.000 1.145 187 N CA -0.561 52.413 53.050 -0.126 0.000 0.919 187 N CB 0.049 38.486 38.487 -0.083 0.000 1.509 187 N HN 0.286 nan 8.380 nan 0.000 0.537 188 W N 2.076 123.371 121.300 -0.008 0.000 3.400 188 W HA 0.162 4.822 4.660 0.000 0.000 0.347 188 W C 1.835 178.368 176.519 0.022 0.000 1.218 188 W CA -0.139 57.215 57.345 0.013 0.000 1.837 188 W CB 0.083 29.555 29.460 0.021 0.000 1.067 188 W HN 0.652 nan 8.180 nan 0.000 0.701 189 S N -1.386 114.396 115.700 0.135 0.000 2.561 189 S HA 0.009 4.479 4.470 0.000 0.000 0.225 189 S C 1.953 176.602 174.600 0.080 0.000 0.977 189 S CA 0.817 59.077 58.200 0.099 0.000 0.926 189 S CB -0.383 62.849 63.200 0.052 0.000 0.769 189 S HN 0.263 nan 8.310 nan 0.000 0.533 190 G N 1.405 110.239 108.800 0.056 0.000 2.598 190 G HA2 0.294 4.254 3.960 0.000 0.000 0.215 190 G HA3 0.294 4.254 3.960 0.000 0.000 0.215 190 G C 0.388 175.378 174.900 0.150 0.000 1.131 190 G CA 0.616 45.744 45.100 0.048 0.000 0.785 190 G HN 0.749 nan 8.290 nan 0.000 0.539 191 M N -2.363 117.364 119.600 0.212 0.000 2.644 191 M HA 0.498 4.978 4.480 0.000 0.000 0.273 191 M C -2.087 174.342 176.300 0.215 0.000 1.253 191 M CA -1.040 54.441 55.300 0.302 0.000 0.852 191 M CB 2.102 34.999 32.600 0.496 0.000 1.708 191 M HN -0.179 nan 8.290 nan 0.000 0.471 192 D N 2.007 122.498 120.400 0.150 0.000 2.500 192 D HA 0.244 4.884 4.640 0.000 0.000 0.219 192 D C 0.678 177.041 176.300 0.105 0.000 1.137 192 D CA -0.204 53.848 54.000 0.086 0.000 0.946 192 D CB 0.809 41.619 40.800 0.018 0.000 1.022 192 D HN 0.852 nan 8.370 nan 0.000 0.518 193 M N 2.964 122.641 119.600 0.130 0.000 2.192 193 M HA -0.231 4.249 4.480 0.000 0.000 0.259 193 M C 1.792 178.116 176.300 0.040 0.000 1.071 193 M CA 1.531 56.891 55.300 0.099 0.000 1.082 193 M CB 0.161 32.776 32.600 0.024 0.000 1.373 193 M HN 0.230 nan 8.290 nan 0.000 0.408 194 K N 0.121 120.533 120.400 0.020 0.000 2.026 194 K HA -0.185 4.135 4.320 0.000 0.000 0.208 194 K C 1.838 178.446 176.600 0.012 0.000 1.048 194 K CA 1.561 57.848 56.287 -0.001 0.000 0.929 194 K CB 0.011 32.508 32.500 -0.007 0.000 0.713 194 K HN 0.355 nan 8.250 nan 0.000 0.439 195 K N -0.075 120.337 120.400 0.020 0.000 2.097 195 K HA -0.079 4.241 4.320 0.000 0.000 0.205 195 K C 2.117 178.755 176.600 0.063 0.000 1.050 195 K CA 1.025 57.325 56.287 0.022 0.000 0.938 195 K CB -0.073 32.418 32.500 -0.015 0.000 0.718 195 K HN 0.184 nan 8.250 nan 0.000 0.442 196 A N 1.659 124.532 122.820 0.088 0.000 1.877 196 A HA -0.165 4.155 4.320 0.000 0.000 0.216 196 A C 2.098 179.777 177.584 0.159 0.000 1.186 196 A CA 1.350 53.487 52.037 0.167 0.000 0.620 196 A CB -0.635 18.515 19.000 0.250 0.000 0.822 196 A HN 0.176 nan 8.150 nan 0.000 0.443 197 I N -0.457 120.159 120.570 0.077 0.000 2.264 197 I HA -0.230 3.940 4.170 0.000 0.000 0.248 197 I C 2.830 178.944 176.117 -0.005 0.000 1.111 197 I CA 1.478 62.782 61.300 0.006 0.000 1.382 197 I CB -0.287 37.678 38.000 -0.059 0.000 1.060 197 I HN 0.449 nan 8.210 nan 0.000 0.418 198 S N 0.321 116.035 115.700 0.024 0.000 2.356 198 S HA -0.277 4.193 4.470 0.000 0.000 0.223 198 S C 2.191 176.819 174.600 0.047 0.000 1.032 198 S CA 1.407 59.617 58.200 0.016 0.000 1.005 198 S CB -0.466 62.752 63.200 0.029 0.000 0.867 198 S HN 0.497 nan 8.310 nan 0.000 0.449 199 Y N 1.876 122.174 120.300 -0.004 0.000 2.128 199 Y HA -0.087 4.463 4.550 0.000 0.000 0.284 199 Y C 1.967 177.879 175.900 0.021 0.000 1.154 199 Y CA 1.930 60.037 58.100 0.012 0.000 1.149 199 Y CB -0.411 38.068 38.460 0.030 0.000 0.976 199 Y HN 0.310 nan 8.280 nan 0.000 0.505 200 I N -0.270 120.373 120.570 0.122 0.000 2.226 200 I HA -0.341 3.829 4.170 0.000 0.000 0.245 200 I C 2.591 178.716 176.117 0.013 0.000 1.100 200 I CA 1.472 62.810 61.300 0.065 0.000 1.374 200 I CB -0.477 37.584 38.000 0.101 0.000 1.057 200 I HN 0.189 nan 8.210 nan 0.000 0.413 201 R N 0.350 120.828 120.500 -0.037 0.000 2.070 201 R HA -0.125 4.215 4.340 0.000 0.000 0.233 201 R C 2.617 178.916 176.300 -0.002 0.000 1.137 201 R CA 1.427 57.522 56.100 -0.007 0.000 0.945 201 R CB -0.331 29.909 30.300 -0.101 0.000 0.845 201 R HN 0.194 nan 8.270 nan 0.000 0.430 202 R N 0.355 120.805 120.500 -0.084 0.000 2.249 202 R HA -0.063 4.277 4.340 0.000 0.000 0.230 202 R C 2.270 178.466 176.300 -0.173 0.000 1.121 202 R CA 1.312 57.341 56.100 -0.118 0.000 0.997 202 R CB -0.943 29.271 30.300 -0.143 0.000 0.867 202 R HN 0.561 nan 8.270 nan 0.000 0.465 203 S N -0.643 114.927 115.700 -0.217 0.000 2.528 203 S HA 0.112 4.582 4.470 0.000 0.000 0.219 203 S C 0.891 175.395 174.600 -0.160 0.000 0.985 203 S CA -0.081 57.981 58.200 -0.230 0.000 0.914 203 S CB -0.271 62.764 63.200 -0.275 0.000 0.776 203 S HN 0.506 nan 8.310 nan 0.000 0.526 204 M N 3.040 122.578 119.600 -0.103 0.000 2.238 204 M HA 0.234 4.714 4.480 0.000 0.000 0.350 204 M C 0.315 176.521 176.300 -0.156 0.000 1.321 204 M CA 0.037 55.251 55.300 -0.143 0.000 1.097 204 M CB 0.774 33.333 32.600 -0.068 0.000 1.713 204 M HN 0.306 nan 8.290 nan 0.000 0.455 205 S N 3.330 118.878 115.700 -0.254 0.000 2.681 205 S HA 0.227 4.697 4.470 0.000 0.000 0.270 205 S C 0.687 175.154 174.600 -0.222 0.000 1.209 205 S CA -0.470 57.579 58.200 -0.251 0.000 0.988 205 S CB 0.511 63.455 63.200 -0.426 0.000 1.006 205 S HN 0.753 nan 8.310 nan 0.000 0.558 206 Y N 0.675 120.935 120.300 -0.065 0.000 2.421 206 Y HA 0.065 4.615 4.550 0.000 0.000 0.292 206 Y C 1.496 177.383 175.900 -0.020 0.000 1.136 206 Y CA 1.281 59.360 58.100 -0.035 0.000 1.255 206 Y CB -0.743 37.707 38.460 -0.017 0.000 0.991 206 Y HN 0.628 nan 8.280 nan 0.000 0.552 207 D N -1.131 118.834 120.400 -0.726 0.000 2.340 207 D HA -0.056 4.584 4.640 0.000 0.000 0.220 207 D C 0.195 176.394 176.300 -0.170 0.000 1.039 207 D CA 0.464 54.264 54.000 -0.334 0.000 0.866 207 D CB -0.624 39.967 40.800 -0.347 0.000 0.913 207 D HN 0.444 nan 8.370 nan 0.000 0.523 208 N N -0.990 117.538 118.700 -0.287 0.000 2.965 208 N HA -0.095 4.645 4.740 0.000 0.000 0.232 208 N C 0.663 175.860 175.510 -0.523 0.000 0.913 208 N CA 1.142 54.023 53.050 -0.283 0.000 0.981 208 N CB -1.527 36.898 38.487 -0.104 0.000 1.077 208 N HN 0.494 nan 8.380 nan 0.000 0.589 209 G N -0.061 108.117 108.800 -1.037 0.000 2.557 209 G HA2 0.609 4.569 3.960 0.000 0.000 0.292 209 G HA3 0.609 4.569 3.960 0.000 0.000 0.292 209 G C -0.282 174.098 174.900 -0.866 0.000 1.237 209 G CA -0.363 43.790 45.100 -1.579 0.000 0.978 209 G HN 0.033 nan 8.290 nan 0.000 0.498 210 L N 0.256 121.054 121.223 -0.709 0.000 2.317 210 L HA 0.697 5.037 4.340 0.000 0.000 0.281 210 L C 0.746 177.434 176.870 -0.303 0.000 1.024 210 L CA -0.548 54.066 54.840 -0.378 0.000 0.810 210 L CB 1.257 43.182 42.059 -0.223 0.000 1.240 210 L HN 0.713 nan 8.230 nan 0.000 0.427 211 A N 2.025 124.715 122.820 -0.218 0.000 2.263 211 A HA 0.515 4.835 4.320 0.000 0.000 0.318 211 A C 0.745 178.267 177.584 -0.102 0.000 1.111 211 A CA -0.349 51.602 52.037 -0.143 0.000 0.901 211 A CB 0.645 19.567 19.000 -0.130 0.000 1.280 211 A HN 0.688 nan 8.150 nan 0.000 0.503 212 Q N -0.601 119.150 119.800 -0.081 0.000 2.226 212 Q HA 0.079 4.419 4.340 0.000 0.000 0.204 212 Q C 0.744 176.759 176.000 0.024 0.000 0.975 212 Q CA 1.409 57.185 55.803 -0.045 0.000 0.866 212 Q CB -0.070 28.622 28.738 -0.078 0.000 0.915 212 Q HN 0.912 nan 8.270 nan 0.000 0.440 213 G N -1.510 107.256 108.800 -0.057 0.000 2.576 213 G HA2 0.520 4.480 3.960 0.000 0.000 0.290 213 G HA3 0.520 4.480 3.960 0.000 0.000 0.290 213 G C -1.536 173.263 174.900 -0.168 0.000 1.442 213 G CA -0.387 44.635 45.100 -0.130 0.000 0.792 213 G HN 0.141 nan 8.290 nan 0.000 0.491 214 A N -0.753 121.936 122.820 -0.219 0.000 2.565 214 A HA 0.515 4.835 4.320 0.000 0.000 0.237 214 A C 1.786 179.332 177.584 -0.063 0.000 1.053 214 A CA 1.827 53.780 52.037 -0.139 0.000 0.755 214 A CB -0.333 18.594 19.000 -0.121 0.000 0.980 214 A HN 2.855 nan 8.150 nan 0.000 0.506 215 G N 0.839 109.614 108.800 -0.041 0.000 2.304 215 G HA2 -0.200 3.760 3.960 0.000 0.000 0.252 215 G HA3 -0.200 3.760 3.960 0.000 0.000 0.252 215 G C 0.221 175.125 174.900 0.007 0.000 1.014 215 G CA 0.391 45.490 45.100 -0.001 0.000 0.619 215 G HN 0.766 nan 8.290 nan 0.000 0.525 216 L N 1.291 122.503 121.223 -0.019 0.000 2.475 216 L HA 0.454 4.794 4.340 0.000 0.000 0.253 216 L C 1.077 177.935 176.870 -0.019 0.000 1.198 216 L CA -0.465 54.367 54.840 -0.013 0.000 0.814 216 L CB 0.547 42.590 42.059 -0.027 0.000 1.134 216 L HN 0.500 nan 8.230 nan 0.000 0.478 217 E N 0.527 120.728 120.200 0.001 0.000 2.366 217 E HA 0.081 4.431 4.350 0.000 0.000 0.266 217 E C -0.168 176.411 176.600 -0.036 0.000 1.015 217 E CA -0.386 56.015 56.400 0.003 0.000 0.906 217 E CB 0.658 30.387 29.700 0.047 0.000 0.979 217 E HN 0.631 nan 8.360 nan 0.000 0.443 218 S N 4.569 120.188 115.700 -0.135 0.000 2.563 218 S HA -0.018 4.452 4.470 0.000 0.000 0.284 218 S C -0.205 174.370 174.600 -0.042 0.000 1.331 218 S CA -0.339 57.696 58.200 -0.274 0.000 1.047 218 S CB 0.791 63.584 63.200 -0.677 0.000 0.859 218 S HN 0.694 nan 8.310 nan 0.000 0.514 219 H N 0.705 119.662 119.070 -0.188 0.000 2.974 219 H HA 0.352 4.908 4.556 0.000 0.000 0.366 219 H C 1.116 176.523 175.328 0.132 0.000 1.155 219 H CA 0.018 56.093 56.048 0.044 0.000 1.186 219 H CB 1.478 31.230 29.762 -0.017 0.000 1.799 219 H HN 0.727 nan 8.280 nan 0.000 0.541 220 G N 1.904 110.714 108.800 0.017 0.000 2.469 220 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 220 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 220 G C 1.437 176.511 174.900 0.289 0.000 1.136 220 G CA 0.906 46.157 45.100 0.251 0.000 0.759 220 G HN 0.658 nan 8.290 nan 0.000 0.562 221 G N 0.906 109.941 108.800 0.391 0.000 2.404 221 G HA2 -0.151 3.809 3.960 0.000 0.000 0.215 221 G HA3 -0.151 3.809 3.960 0.000 0.000 0.215 221 G C 2.235 177.108 174.900 -0.044 0.000 1.174 221 G CA 1.833 46.878 45.100 -0.093 0.000 0.780 221 G HN 0.655 nan 8.290 nan 0.000 0.537 222 S N 0.099 115.836 115.700 0.062 0.000 2.402 222 S HA -0.093 4.377 4.470 0.000 0.000 0.229 222 S C 2.229 176.823 174.600 -0.011 0.000 1.021 222 S CA 1.872 60.060 58.200 -0.020 0.000 0.974 222 S CB -0.689 62.481 63.200 -0.050 0.000 0.800 222 S HN 0.263 nan 8.310 nan 0.000 0.484 223 T N 2.050 116.609 114.554 0.008 0.000 2.746 223 T HA -0.002 4.348 4.350 0.000 0.000 0.267 223 T C 1.278 175.991 174.700 0.021 0.000 1.039 223 T CA 1.437 63.519 62.100 -0.030 0.000 1.142 223 T CB -0.565 68.284 68.868 -0.031 0.000 0.866 223 T HN 0.497 nan 8.240 nan 0.000 0.444 224 F N 1.582 121.519 119.950 -0.023 0.000 2.075 224 F HA -0.174 4.353 4.527 0.000 0.000 0.297 224 F C 2.448 178.189 175.800 -0.100 0.000 1.113 224 F CA 0.803 58.776 58.000 -0.044 0.000 1.218 224 F CB -0.924 38.089 39.000 0.023 0.000 0.984 224 F HN 0.154 nan 8.300 nan 0.000 0.472 225 C N 1.108 120.281 119.300 -0.211 0.000 2.401 225 C HA -0.136 4.324 4.460 0.000 0.000 0.276 225 C C 3.094 177.998 174.990 -0.143 0.000 1.233 225 C CA 1.289 60.136 59.018 -0.286 0.000 1.753 225 C CB -2.004 25.715 27.740 -0.035 0.000 2.029 225 C HN 0.763 nan 8.230 nan 0.000 0.478 226 G N 0.683 109.445 108.800 -0.065 0.000 2.453 226 G HA2 -0.122 3.838 3.960 0.000 0.000 0.215 226 G HA3 -0.122 3.838 3.960 0.000 0.000 0.215 226 G C 1.371 176.276 174.900 0.009 0.000 1.201 226 G CA 0.841 45.955 45.100 0.022 0.000 0.784 226 G HN 0.351 nan 8.290 nan 0.000 0.545 227 I N 2.136 122.680 120.570 -0.043 0.000 2.163 227 I HA -0.189 3.981 4.170 0.000 0.000 0.243 227 I C 3.316 179.380 176.117 -0.089 0.000 1.085 227 I CA 1.376 62.662 61.300 -0.023 0.000 1.347 227 I CB -1.451 36.522 38.000 -0.045 0.000 1.044 227 I HN 0.268 nan 8.210 nan 0.000 0.408 228 A N 0.207 122.846 122.820 -0.302 0.000 1.940 228 A HA -0.195 4.125 4.320 0.000 0.000 0.219 228 A C 2.610 180.197 177.584 0.004 0.000 1.176 228 A CA 2.198 54.070 52.037 -0.274 0.000 0.631 228 A CB -0.777 17.723 19.000 -0.833 0.000 0.814 228 A HN 0.433 nan 8.150 nan 0.000 0.446 229 S N -0.249 115.491 115.700 0.067 0.000 2.356 229 S HA -0.091 4.379 4.470 0.000 0.000 0.223 229 S C 1.848 176.513 174.600 0.110 0.000 1.032 229 S CA 1.432 59.724 58.200 0.153 0.000 1.005 229 S CB -0.456 62.847 63.200 0.171 0.000 0.867 229 S HN 0.524 nan 8.310 nan 0.000 0.449 230 L N 0.706 121.967 121.223 0.063 0.000 2.042 230 L HA -0.192 4.148 4.340 0.000 0.000 0.210 230 L C 2.613 179.499 176.870 0.027 0.000 1.076 230 L CA 1.003 55.859 54.840 0.027 0.000 0.749 230 L CB -0.793 41.289 42.059 0.037 0.000 0.893 230 L HN 0.428 nan 8.230 nan 0.000 0.432 231 C N -0.586 118.742 119.300 0.047 0.000 2.429 231 C HA -0.153 4.307 4.460 0.000 0.000 0.277 231 C C 2.655 177.701 174.990 0.094 0.000 1.262 231 C CA 0.165 59.219 59.018 0.060 0.000 1.733 231 C CB -0.776 26.997 27.740 0.055 0.000 2.010 231 C HN 0.402 nan 8.230 nan 0.000 0.483 232 L N 0.281 121.572 121.223 0.114 0.000 2.131 232 L HA -0.059 4.281 4.340 0.000 0.000 0.210 232 L C 2.311 179.392 176.870 0.351 0.000 1.092 232 L CA 1.806 56.767 54.840 0.202 0.000 0.759 232 L CB -0.680 41.499 42.059 0.199 0.000 0.903 232 L HN 0.376 nan 8.230 nan 0.000 0.435 233 M N -1.675 117.950 119.600 0.042 0.000 2.558 233 M HA 0.215 4.695 4.480 0.000 0.000 0.255 233 M C 1.213 177.378 176.300 -0.225 0.000 1.113 233 M CA 0.711 55.758 55.300 -0.422 0.000 1.097 233 M CB -0.134 32.167 32.600 -0.497 0.000 1.426 233 M HN 0.301 nan 8.290 nan 0.000 0.488 234 G N 2.119 110.894 108.800 -0.042 0.000 2.272 234 G HA2 -0.242 3.718 3.960 0.000 0.000 0.280 234 G HA3 -0.242 3.718 3.960 0.000 0.000 0.280 234 G C 0.264 175.133 174.900 -0.052 0.000 1.067 234 G CA 0.143 45.237 45.100 -0.011 0.000 0.902 234 G HN 0.528 nan 8.290 nan 0.000 0.500 235 K N -0.612 119.751 120.400 -0.061 0.000 2.619 235 K HA 0.299 4.619 4.320 0.000 0.000 0.201 235 K C 1.935 178.507 176.600 -0.047 0.000 1.090 235 K CA -0.517 55.727 56.287 -0.072 0.000 1.063 235 K CB 0.390 32.818 32.500 -0.120 0.000 0.810 235 K HN 0.366 nan 8.250 nan 0.000 0.506 236 L N 1.634 122.859 121.223 0.002 0.000 1.956 236 L HA -0.227 4.113 4.340 0.000 0.000 0.216 236 L C 1.900 178.809 176.870 0.065 0.000 1.073 236 L CA 1.900 56.774 54.840 0.057 0.000 0.762 236 L CB -0.008 42.101 42.059 0.084 0.000 0.889 236 L HN 0.303 nan 8.230 nan 0.000 0.433 237 E N -0.390 119.840 120.200 0.051 0.000 2.160 237 E HA -0.316 4.034 4.350 0.000 0.000 0.195 237 E C 1.875 178.488 176.600 0.022 0.000 0.991 237 E CA 1.480 57.911 56.400 0.051 0.000 0.810 237 E CB -0.199 29.523 29.700 0.037 0.000 0.742 237 E HN 0.626 nan 8.360 nan 0.000 0.466 238 E N 0.768 120.959 120.200 -0.016 0.000 2.216 238 E HA -0.091 4.259 4.350 0.000 0.000 0.192 238 E C 1.968 178.515 176.600 -0.088 0.000 0.988 238 E CA 0.519 56.892 56.400 -0.044 0.000 0.834 238 E CB 0.395 30.061 29.700 -0.056 0.000 0.772 238 E HN 0.020 nan 8.360 nan 0.000 0.479 239 V N 0.218 120.041 119.914 -0.152 0.000 2.599 239 V HA 0.046 4.166 4.120 0.000 0.000 0.245 239 V C 0.575 176.417 176.094 -0.420 0.000 1.046 239 V CA 0.848 62.945 62.300 -0.338 0.000 1.065 239 V CB -0.075 31.437 31.823 -0.519 0.000 0.703 239 V HN 0.095 nan 8.190 nan 0.000 0.464 240 F N 0.503 120.446 119.950 -0.012 0.000 2.469 240 F HA 0.493 5.020 4.527 0.000 0.000 0.332 240 F C 0.864 176.662 175.800 -0.004 0.000 1.103 240 F CA -0.751 57.243 58.000 -0.010 0.000 0.979 240 F CB 1.621 40.614 39.000 -0.012 0.000 1.137 240 F HN -0.028 nan 8.300 nan 0.000 0.463 241 S N 1.008 116.835 115.700 0.211 0.000 2.608 241 S HA 0.052 4.522 4.470 0.000 0.000 0.261 241 S C 1.127 175.788 174.600 0.102 0.000 1.314 241 S CA -0.358 57.911 58.200 0.115 0.000 0.992 241 S CB 1.188 64.439 63.200 0.085 0.000 0.935 241 S HN 0.885 nan 8.310 nan 0.000 0.564 242 E N 0.611 120.851 120.200 0.067 0.000 2.077 242 E HA -0.189 4.161 4.350 0.000 0.000 0.193 242 E C 2.066 178.691 176.600 0.041 0.000 0.989 242 E CA 1.367 57.799 56.400 0.053 0.000 0.800 242 E CB -0.217 29.507 29.700 0.040 0.000 0.746 242 E HN 0.565 nan 8.360 nan 0.000 0.452 243 K N 0.484 120.907 120.400 0.038 0.000 2.057 243 K HA -0.176 4.144 4.320 0.000 0.000 0.207 243 K C 1.879 178.488 176.600 0.015 0.000 1.049 243 K CA 1.864 58.166 56.287 0.026 0.000 0.931 243 K CB -0.373 32.143 32.500 0.027 0.000 0.714 243 K HN 0.413 nan 8.250 nan 0.000 0.440 244 E N 0.064 120.281 120.200 0.028 0.000 2.051 244 E HA -0.101 4.249 4.350 0.000 0.000 0.192 244 E C 2.223 178.764 176.600 -0.098 0.000 0.991 244 E CA 1.738 58.127 56.400 -0.018 0.000 0.799 244 E CB -0.230 29.518 29.700 0.079 0.000 0.748 244 E HN 0.325 nan 8.360 nan 0.000 0.449 245 L N 1.337 122.538 121.223 -0.038 0.000 2.079 245 L HA -0.217 4.123 4.340 0.000 0.000 0.210 245 L C 2.087 178.941 176.870 -0.026 0.000 1.081 245 L CA 0.698 55.508 54.840 -0.050 0.000 0.752 245 L CB -0.447 41.631 42.059 0.033 0.000 0.896 245 L HN 0.180 nan 8.230 nan 0.000 0.433 246 N N 0.191 118.889 118.700 -0.002 0.000 2.188 246 N HA -0.140 4.600 4.740 0.000 0.000 0.184 246 N C 1.914 177.430 175.510 0.009 0.000 1.018 246 N CA 1.143 54.200 53.050 0.012 0.000 0.858 246 N CB -0.173 38.323 38.487 0.014 0.000 0.989 246 N HN 0.379 nan 8.380 nan 0.000 0.426 247 R N 0.587 121.080 120.500 -0.012 0.000 2.075 247 R HA 0.076 4.416 4.340 0.000 0.000 0.232 247 R C 2.308 178.613 176.300 0.008 0.000 1.126 247 R CA 0.736 56.834 56.100 -0.003 0.000 0.963 247 R CB -0.284 30.000 30.300 -0.027 0.000 0.858 247 R HN 0.228 nan 8.270 nan 0.000 0.435 248 I N 1.221 121.752 120.570 -0.066 0.000 2.179 248 I HA -0.293 3.877 4.170 0.000 0.000 0.242 248 I C 2.161 178.326 176.117 0.079 0.000 1.088 248 I CA 1.485 62.747 61.300 -0.064 0.000 1.357 248 I CB -0.255 37.605 38.000 -0.233 0.000 1.051 248 I HN 0.135 nan 8.210 nan 0.000 0.409 249 K N 0.378 120.812 120.400 0.056 0.000 2.032 249 K HA -0.261 4.059 4.320 0.000 0.000 0.209 249 K C 2.248 178.918 176.600 0.117 0.000 1.048 249 K CA 1.594 57.940 56.287 0.097 0.000 0.927 249 K CB -0.283 32.266 32.500 0.081 0.000 0.712 249 K HN 0.075 nan 8.250 nan 0.000 0.441 250 R N 0.618 121.175 120.500 0.095 0.000 2.083 250 R HA -0.196 4.144 4.340 0.000 0.000 0.237 250 R C 1.872 178.233 176.300 0.100 0.000 1.137 250 R CA 1.772 57.919 56.100 0.080 0.000 0.951 250 R CB -0.826 29.511 30.300 0.062 0.000 0.851 250 R HN 0.414 nan 8.270 nan 0.000 0.434 251 W N -0.176 121.111 121.300 -0.021 0.000 2.358 251 W HA -0.223 4.437 4.660 -0.000 0.000 0.303 251 W C 2.006 178.533 176.519 0.013 0.000 1.208 251 W CA 1.713 59.044 57.345 -0.025 0.000 1.274 251 W CB -0.509 28.911 29.460 -0.067 0.000 1.138 251 W HN 0.167 nan 8.180 nan 0.000 0.515 252 C N -0.320 119.157 119.300 0.296 0.000 2.473 252 C HA -0.197 4.263 4.460 0.000 0.000 0.279 252 C C 2.596 177.628 174.990 0.070 0.000 1.250 252 C CA 1.035 60.172 59.018 0.199 0.000 1.713 252 C CB -1.596 26.304 27.740 0.266 0.000 2.066 252 C HN 0.433 nan 8.230 nan 0.000 0.474 253 I N 0.704 121.334 120.570 0.099 0.000 2.423 253 I HA -0.182 3.988 4.170 0.000 0.000 0.254 253 I C 2.119 178.228 176.117 -0.014 0.000 1.151 253 I CA 1.597 62.954 61.300 0.096 0.000 1.421 253 I CB -0.202 37.852 38.000 0.090 0.000 1.079 253 I HN 0.240 nan 8.210 nan 0.000 0.431 254 M N -0.466 119.070 119.600 -0.107 0.000 2.619 254 M HA -0.009 4.471 4.480 0.000 0.000 0.251 254 M C 1.692 177.847 176.300 -0.243 0.000 1.106 254 M CA 0.817 56.007 55.300 -0.183 0.000 1.086 254 M CB -0.904 31.563 32.600 -0.222 0.000 1.465 254 M HN 0.164 nan 8.290 nan 0.000 0.506 255 R N 0.115 120.482 120.500 -0.222 0.000 2.236 255 R HA 0.077 4.417 4.340 0.000 0.000 0.208 255 R C 0.812 176.853 176.300 -0.432 0.000 1.036 255 R CA 0.190 56.173 56.100 -0.196 0.000 1.001 255 R CB -0.469 29.835 30.300 0.006 0.000 0.896 255 R HN 0.522 nan 8.270 nan 0.000 0.464 256 Q N 1.161 120.687 119.800 -0.457 0.000 2.293 256 Q HA 0.001 4.341 4.340 0.000 0.000 0.263 256 Q C 0.198 175.846 176.000 -0.587 0.000 1.002 256 Q CA 0.039 55.335 55.803 -0.845 0.000 0.910 256 Q CB 0.911 29.150 28.738 -0.832 0.000 1.185 256 Q HN 0.034 nan 8.270 nan 0.000 0.401 257 Q N 2.172 121.616 119.800 -0.594 0.000 2.442 257 Q HA 0.063 4.403 4.340 0.000 0.000 0.228 257 Q C 0.379 176.194 176.000 -0.308 0.000 0.902 257 Q CA 1.313 56.867 55.803 -0.415 0.000 0.933 257 Q CB 0.579 29.065 28.738 -0.420 0.000 1.071 257 Q HN 0.832 nan 8.270 nan 0.000 0.562 258 N N -1.576 116.919 118.700 -0.343 0.000 2.496 258 N HA 0.025 4.765 4.740 0.000 0.000 0.317 258 N C 0.761 176.138 175.510 -0.222 0.000 0.629 258 N CA 0.488 53.418 53.050 -0.199 0.000 0.894 258 N CB -0.264 38.167 38.487 -0.094 0.000 2.220 258 N HN 0.090 nan 8.380 nan 0.000 1.447 259 G N -1.064 107.542 108.800 -0.324 0.000 2.736 259 G HA2 0.591 4.551 3.960 0.000 0.000 0.229 259 G HA3 0.591 4.551 3.960 0.000 0.000 0.229 259 G C -1.483 173.201 174.900 -0.360 0.000 1.380 259 G CA -0.354 44.602 45.100 -0.240 0.000 1.040 259 G HN 0.117 nan 8.290 nan 0.000 0.568 260 Y N -0.604 119.619 120.300 -0.129 0.000 2.462 260 Y HA 0.443 4.993 4.550 0.000 0.000 0.346 260 Y C 0.561 176.461 175.900 -0.000 0.000 0.976 260 Y CA -0.865 57.189 58.100 -0.077 0.000 1.044 260 Y CB 1.803 40.303 38.460 0.067 0.000 1.230 260 Y HN 0.724 nan 8.280 nan 0.000 0.455 261 H N -1.398 117.651 119.070 -0.036 0.000 2.595 261 H HA 0.622 5.178 4.556 0.000 0.000 0.346 261 H C 0.445 175.447 175.328 -0.543 0.000 1.181 261 H CA -0.897 55.018 56.048 -0.221 0.000 1.242 261 H CB 2.018 31.661 29.762 -0.198 0.000 1.652 261 H HN 0.825 nan 8.280 nan 0.000 0.548 262 G N 0.245 108.483 108.800 -0.936 0.000 2.683 262 G HA2 0.112 4.072 3.960 0.000 0.000 0.213 262 G HA3 0.112 4.072 3.960 0.000 0.000 0.213 262 G C 0.404 174.869 174.900 -0.725 0.000 1.142 262 G CA -0.215 44.129 45.100 -1.259 0.000 0.793 262 G HN 0.549 nan 8.290 nan 0.000 0.534 263 R N -0.717 119.358 120.500 -0.708 0.000 2.680 263 R HA 0.327 4.667 4.340 0.000 0.000 0.269 263 R C -3.113 172.671 176.300 -0.861 0.000 1.026 263 R CA -1.844 53.952 56.100 -0.507 0.000 0.889 263 R CB 1.939 32.102 30.300 -0.228 0.000 1.241 263 R HN -0.140 nan 8.270 nan 0.000 0.463 264 P HA -0.051 nan 4.420 nan 0.000 0.265 264 P C -0.552 176.591 177.300 -0.262 0.000 1.187 264 P CA 0.343 63.222 63.100 -0.368 0.000 0.766 264 P CB 0.347 31.965 31.700 -0.136 0.000 0.820 265 N N -0.757 117.877 118.700 -0.111 0.000 2.741 265 N HA -0.176 4.564 4.740 0.000 0.000 0.251 265 N C -0.373 175.102 175.510 -0.058 0.000 1.112 265 N CA 1.318 54.343 53.050 -0.042 0.000 0.750 265 N CB -0.772 37.696 38.487 -0.031 0.000 1.119 265 N HN 0.486 nan 8.380 nan 0.000 0.561 266 K N 0.526 120.853 120.400 -0.121 0.000 2.259 266 K HA 0.462 4.782 4.320 0.000 0.000 0.249 266 K C -2.207 174.438 176.600 0.074 0.000 0.942 266 K CA -1.502 54.748 56.287 -0.062 0.000 0.816 266 K CB 2.042 34.443 32.500 -0.164 0.000 1.155 266 K HN -0.089 nan 8.250 nan 0.000 0.428 267 P HA -0.011 nan 4.420 nan 0.000 0.269 267 P C 0.206 177.608 177.300 0.170 0.000 1.215 267 P CA -0.386 62.756 63.100 0.070 0.000 0.780 267 P CB 0.447 32.132 31.700 -0.025 0.000 0.898 268 V N -1.090 118.858 119.914 0.057 0.000 3.096 268 V HA 0.370 4.490 4.120 0.000 0.000 0.306 268 V C 0.111 176.400 176.094 0.324 0.000 1.088 268 V CA 0.005 62.321 62.300 0.026 0.000 1.129 268 V CB 0.463 32.034 31.823 -0.419 0.000 1.014 268 V HN 0.617 nan 8.190 nan 0.000 0.486 269 D N 1.390 122.026 120.400 0.394 0.000 2.970 269 D HA 0.300 4.941 4.640 0.000 0.000 0.230 269 D C 0.799 177.424 176.300 0.542 0.000 1.276 269 D CA -0.075 54.256 54.000 0.552 0.000 0.910 269 D CB 2.288 43.473 40.800 0.642 0.000 1.590 269 D HN 0.648 nan 8.370 nan 0.000 0.551 270 T N 1.894 116.797 114.554 0.581 0.000 2.649 270 T HA -0.225 4.125 4.350 0.000 0.000 0.268 270 T C 2.024 176.869 174.700 0.242 0.000 1.036 270 T CA 2.325 64.707 62.100 0.470 0.000 1.157 270 T CB -0.591 68.482 68.868 0.343 0.000 0.861 270 T HN 0.784 nan 8.240 nan 0.000 0.445 271 C N 0.273 119.689 119.300 0.193 0.000 2.409 271 C HA -0.056 4.404 4.460 0.000 0.000 0.284 271 C C 2.189 176.917 174.990 -0.436 0.000 1.354 271 C CA -0.184 58.695 59.018 -0.231 0.000 1.787 271 C CB -2.137 25.362 27.740 -0.402 0.000 1.900 271 C HN 0.508 nan 8.230 nan 0.000 0.520 272 Y N 1.822 122.209 120.300 0.145 0.000 2.571 272 Y HA 0.017 4.567 4.550 0.000 0.000 0.294 272 Y C 2.799 178.649 175.900 -0.083 0.000 1.141 272 Y CA 1.320 59.509 58.100 0.150 0.000 1.308 272 Y CB -0.534 38.066 38.460 0.233 0.000 1.002 272 Y HN 0.332 nan 8.280 nan 0.000 0.551 273 S N -0.468 115.235 115.700 0.006 0.000 2.474 273 S HA -0.142 4.328 4.470 0.000 0.000 0.235 273 S C 1.586 175.984 174.600 -0.337 0.000 0.997 273 S CA 1.025 59.135 58.200 -0.149 0.000 0.949 273 S CB -0.329 62.889 63.200 0.031 0.000 0.766 273 S HN 0.554 nan 8.310 nan 0.000 0.517 274 F N 0.020 119.671 119.950 -0.497 0.000 2.390 274 F HA 0.221 4.748 4.527 0.000 0.000 0.281 274 F C 1.559 176.999 175.800 -0.599 0.000 1.016 274 F CA -0.050 57.578 58.000 -0.620 0.000 1.286 274 F CB -0.720 37.831 39.000 -0.750 0.000 1.134 274 F HN 0.152 nan 8.300 nan 0.000 0.597 275 W N 0.616 121.493 121.300 -0.704 0.000 2.301 275 W HA -0.264 4.396 4.660 -0.000 0.000 0.325 275 W C 2.337 178.619 176.519 -0.394 0.000 1.250 275 W CA 1.681 58.607 57.345 -0.698 0.000 1.261 275 W CB -0.960 28.261 29.460 -0.398 0.000 1.157 275 W HN -0.142 nan 8.180 nan 0.000 0.473 276 V N 0.239 120.151 119.914 -0.003 0.000 2.407 276 V HA -0.094 4.026 4.120 0.000 0.000 0.245 276 V C 2.389 178.314 176.094 -0.282 0.000 1.041 276 V CA 1.906 64.180 62.300 -0.042 0.000 1.040 276 V CB -1.597 30.228 31.823 0.004 0.000 0.671 276 V HN 0.390 nan 8.190 nan 0.000 0.455 277 G N 0.178 108.624 108.800 -0.590 0.000 2.476 277 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 277 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 277 G C 1.753 176.220 174.900 -0.721 0.000 1.164 277 G CA 1.236 45.898 45.100 -0.730 0.000 0.768 277 G HN 0.603 nan 8.290 nan 0.000 0.560 278 A N 0.030 122.417 122.820 -0.722 0.000 1.972 278 A HA 0.018 4.338 4.320 0.000 0.000 0.219 278 A C 2.535 180.004 177.584 -0.191 0.000 1.169 278 A CA 2.400 54.105 52.037 -0.553 0.000 0.635 278 A CB -0.790 17.639 19.000 -0.953 0.000 0.810 278 A HN 0.319 nan 8.150 nan 0.000 0.446 279 T N 0.498 115.008 114.554 -0.074 0.000 2.737 279 T HA -0.071 4.279 4.350 0.000 0.000 0.265 279 T C 1.812 176.527 174.700 0.024 0.000 1.038 279 T CA 1.405 63.526 62.100 0.036 0.000 1.144 279 T CB -0.388 68.547 68.868 0.111 0.000 0.866 279 T HN 0.361 nan 8.240 nan 0.000 0.434 280 L N 0.625 121.865 121.223 0.028 0.000 2.079 280 L HA -0.133 4.207 4.340 0.000 0.000 0.210 280 L C 2.634 179.579 176.870 0.125 0.000 1.081 280 L CA 1.198 56.118 54.840 0.132 0.000 0.752 280 L CB -0.402 41.825 42.059 0.279 0.000 0.896 280 L HN 0.175 nan 8.230 nan 0.000 0.433 281 K N 0.773 121.175 120.400 0.002 0.000 2.025 281 K HA -0.138 4.182 4.320 0.000 0.000 0.207 281 K C 1.957 178.566 176.600 0.015 0.000 1.049 281 K CA 1.472 57.761 56.287 0.004 0.000 0.933 281 K CB -0.336 32.062 32.500 -0.170 0.000 0.714 281 K HN 0.159 nan 8.250 nan 0.000 0.438 282 L N 0.359 121.581 121.223 -0.002 0.000 2.131 282 L HA -0.104 4.236 4.340 0.000 0.000 0.210 282 L C 1.758 178.652 176.870 0.039 0.000 1.092 282 L CA 0.857 55.706 54.840 0.015 0.000 0.759 282 L CB -0.280 41.785 42.059 0.009 0.000 0.903 282 L HN 0.177 nan 8.230 nan 0.000 0.435 283 L N -0.550 120.708 121.223 0.057 0.000 2.627 283 L HA 0.011 4.351 4.340 0.000 0.000 0.232 283 L C 0.546 177.470 176.870 0.091 0.000 1.150 283 L CA -0.150 54.734 54.840 0.074 0.000 0.917 283 L CB -0.167 41.942 42.059 0.082 0.000 1.104 283 L HN 0.132 nan 8.230 nan 0.000 0.445 284 K N 0.358 120.807 120.400 0.081 0.000 3.069 284 K HA -0.199 4.121 4.320 0.000 0.000 0.267 284 K C 0.516 177.168 176.600 0.087 0.000 1.082 284 K CA 1.167 57.498 56.287 0.075 0.000 0.782 284 K CB -1.609 30.933 32.500 0.068 0.000 1.230 284 K HN 0.688 nan 8.250 nan 0.000 0.488 285 I N -4.980 115.670 120.570 0.132 0.000 4.160 285 I HA 0.259 4.429 4.170 0.000 0.000 0.325 285 I C 1.225 177.433 176.117 0.152 0.000 1.455 285 I CA -0.676 60.725 61.300 0.168 0.000 1.142 285 I CB 0.151 38.347 38.000 0.327 0.000 1.262 285 I HN -0.029 nan 8.210 nan 0.000 0.483 286 F N 3.425 123.388 119.950 0.021 0.000 2.269 286 F HA -0.172 4.355 4.527 0.000 0.000 0.301 286 F C 2.551 178.435 175.800 0.140 0.000 1.082 286 F CA 2.313 60.364 58.000 0.084 0.000 1.360 286 F CB -0.089 38.936 39.000 0.043 0.000 1.041 286 F HN 0.393 nan 8.300 nan 0.000 0.512 287 Q N -1.187 118.540 119.800 -0.120 0.000 2.297 287 Q HA -0.251 4.089 4.340 0.000 0.000 0.208 287 Q C 1.111 176.836 176.000 -0.458 0.000 0.981 287 Q CA 1.929 57.518 55.803 -0.355 0.000 0.876 287 Q CB -1.082 27.345 28.738 -0.519 0.000 0.921 287 Q HN 0.617 nan 8.270 nan 0.000 0.446 288 Y N 2.128 122.385 120.300 -0.072 0.000 2.461 288 Y HA 0.131 4.681 4.550 0.000 0.000 0.277 288 Y C 1.142 176.995 175.900 -0.079 0.000 1.182 288 Y CA -0.095 57.956 58.100 -0.081 0.000 1.276 288 Y CB 0.485 38.926 38.460 -0.031 0.000 1.087 288 Y HN 0.171 nan 8.280 nan 0.000 0.519 289 T N -1.798 112.757 114.554 0.001 0.000 2.824 289 T HA 0.073 4.423 4.350 0.000 0.000 0.277 289 T C 0.065 174.784 174.700 0.033 0.000 0.975 289 T CA -0.974 61.138 62.100 0.019 0.000 0.966 289 T CB 1.204 70.061 68.868 -0.017 0.000 1.054 289 T HN 0.109 nan 8.240 nan 0.000 0.533 290 N N 0.655 119.386 118.700 0.052 0.000 2.420 290 N HA 0.147 4.887 4.740 0.000 0.000 0.249 290 N C 0.308 175.944 175.510 0.210 0.000 1.033 290 N CA -0.514 52.576 53.050 0.068 0.000 0.944 290 N CB -0.085 38.404 38.487 0.004 0.000 1.113 290 N HN 0.720 nan 8.380 nan 0.000 0.502 291 F N 1.653 121.542 119.950 -0.101 0.000 2.113 291 F HA -0.116 4.411 4.527 0.000 0.000 0.297 291 F C 2.046 177.847 175.800 0.001 0.000 1.103 291 F CA 0.395 58.359 58.000 -0.059 0.000 1.248 291 F CB 0.338 39.297 39.000 -0.068 0.000 0.999 291 F HN 0.448 nan 8.300 nan 0.000 0.475 292 E N 1.035 121.356 120.200 0.201 0.000 2.049 292 E HA -0.230 4.120 4.350 0.000 0.000 0.198 292 E C 1.907 178.564 176.600 0.096 0.000 1.007 292 E CA 1.341 57.813 56.400 0.121 0.000 0.809 292 E CB -0.602 29.145 29.700 0.079 0.000 0.749 292 E HN 0.447 nan 8.360 nan 0.000 0.450 293 K N 0.619 121.064 120.400 0.076 0.000 2.097 293 K HA -0.138 4.182 4.320 0.000 0.000 0.206 293 K C 2.059 178.719 176.600 0.100 0.000 1.049 293 K CA 1.143 57.467 56.287 0.063 0.000 0.933 293 K CB -0.141 32.365 32.500 0.010 0.000 0.717 293 K HN -0.015 nan 8.250 nan 0.000 0.442 294 N N 1.641 120.404 118.700 0.105 0.000 2.080 294 N HA -0.185 4.555 4.740 0.000 0.000 0.189 294 N C 1.734 177.349 175.510 0.174 0.000 1.036 294 N CA 1.432 54.584 53.050 0.170 0.000 0.846 294 N CB -0.086 38.537 38.487 0.227 0.000 1.015 294 N HN 0.066 nan 8.380 nan 0.000 0.423 295 R N 0.048 120.613 120.500 0.108 0.000 2.091 295 R HA -0.099 4.241 4.340 0.000 0.000 0.238 295 R C 1.525 177.883 176.300 0.097 0.000 1.136 295 R CA 1.825 57.969 56.100 0.072 0.000 0.959 295 R CB -0.287 30.046 30.300 0.054 0.000 0.856 295 R HN 0.256 nan 8.270 nan 0.000 0.437 296 N N -0.318 118.447 118.700 0.108 0.000 2.069 296 N HA -0.212 4.528 4.740 0.000 0.000 0.191 296 N C 1.375 176.946 175.510 0.101 0.000 1.031 296 N CA 1.517 54.626 53.050 0.099 0.000 0.852 296 N CB -0.564 37.978 38.487 0.092 0.000 1.018 296 N HN 0.314 nan 8.380 nan 0.000 0.423 297 Y N 1.414 121.758 120.300 0.075 0.000 2.114 297 Y HA -0.086 4.464 4.550 0.000 0.000 0.284 297 Y C 2.018 177.995 175.900 0.129 0.000 1.143 297 Y CA 1.399 59.554 58.100 0.093 0.000 1.135 297 Y CB -0.457 38.054 38.460 0.084 0.000 0.980 297 Y HN 0.006 nan 8.280 nan 0.000 0.499 298 I N -0.059 120.546 120.570 0.058 0.000 2.151 298 I HA -0.383 3.787 4.170 0.000 0.000 0.243 298 I C 2.380 178.549 176.117 0.086 0.000 1.080 298 I CA 1.666 62.970 61.300 0.006 0.000 1.339 298 I CB -0.611 37.376 38.000 -0.022 0.000 1.039 298 I HN 0.291 nan 8.210 nan 0.000 0.409 299 L N 0.510 121.810 121.223 0.129 0.000 2.141 299 L HA -0.169 4.171 4.340 0.000 0.000 0.209 299 L C 2.761 179.682 176.870 0.085 0.000 1.094 299 L CA 1.538 56.510 54.840 0.220 0.000 0.763 299 L CB -0.636 41.527 42.059 0.173 0.000 0.908 299 L HN 0.394 nan 8.230 nan 0.000 0.437 300 S N -1.306 114.368 115.700 -0.043 0.000 2.500 300 S HA -0.146 4.324 4.470 0.000 0.000 0.239 300 S C 1.685 176.226 174.600 -0.097 0.000 0.989 300 S CA 1.299 59.447 58.200 -0.087 0.000 0.951 300 S CB -0.711 62.407 63.200 -0.137 0.000 0.759 300 S HN 0.578 nan 8.310 nan 0.000 0.523 301 T N -1.879 112.625 114.554 -0.084 0.000 3.105 301 T HA 0.254 4.604 4.350 0.000 0.000 0.253 301 T C 0.300 175.024 174.700 0.040 0.000 1.047 301 T CA -0.535 61.562 62.100 -0.005 0.000 0.944 301 T CB -0.210 68.663 68.868 0.009 0.000 1.016 301 T HN 0.479 nan 8.240 nan 0.000 0.544 302 Q N 1.841 121.615 119.800 -0.043 0.000 2.304 302 Q HA 0.107 4.447 4.340 0.000 0.000 0.260 302 Q C -0.834 174.999 176.000 -0.278 0.000 0.965 302 Q CA -0.379 55.172 55.803 -0.420 0.000 0.898 302 Q CB 0.615 29.145 28.738 -0.347 0.000 1.196 302 Q HN 0.292 nan 8.270 nan 0.000 0.402 303 D N 4.206 124.413 120.400 -0.321 0.000 2.393 303 D HA 0.065 4.705 4.640 0.000 0.000 0.232 303 D C 0.387 176.552 176.300 -0.225 0.000 1.192 303 D CA -0.008 53.878 54.000 -0.189 0.000 0.882 303 D CB 0.552 41.274 40.800 -0.131 0.000 1.038 303 D HN 0.602 nan 8.370 nan 0.000 0.499 304 R N 2.558 122.950 120.500 -0.180 0.000 2.293 304 R HA -0.064 4.276 4.340 0.000 0.000 0.219 304 R C 1.568 177.769 176.300 -0.165 0.000 1.091 304 R CA 0.222 56.208 56.100 -0.190 0.000 1.004 304 R CB 0.370 30.592 30.300 -0.130 0.000 0.865 304 R HN 0.453 nan 8.270 nan 0.000 0.469 305 L N 0.290 121.439 121.223 -0.123 0.000 2.187 305 L HA -0.008 4.332 4.340 0.000 0.000 0.197 305 L C 2.130 178.945 176.870 -0.092 0.000 1.090 305 L CA 1.439 56.222 54.840 -0.094 0.000 0.781 305 L CB -0.528 41.495 42.059 -0.059 0.000 0.956 305 L HN 0.090 nan 8.230 nan 0.000 0.463 306 V N -1.264 118.613 119.914 -0.062 0.000 3.354 306 V HA 0.436 4.556 4.120 0.000 0.000 0.258 306 V C 0.894 177.017 176.094 0.048 0.000 1.159 306 V CA 0.714 63.013 62.300 -0.002 0.000 1.125 306 V CB -0.235 31.619 31.823 0.051 0.000 0.774 306 V HN 0.646 nan 8.190 nan 0.000 0.464 307 G N -0.955 107.778 108.800 -0.111 0.000 2.655 307 G HA2 0.413 4.373 3.960 0.000 0.000 0.680 307 G HA3 0.413 4.373 3.960 0.000 0.000 0.680 307 G C 0.516 175.124 174.900 -0.485 0.000 1.302 307 G CA -0.300 44.639 45.100 -0.268 0.000 0.872 307 G HN 2.425 nan 8.290 nan 0.000 0.540 308 G N -1.967 106.460 108.800 -0.622 0.000 2.828 308 G HA2 0.372 4.332 3.960 0.000 0.000 0.463 308 G HA3 0.372 4.332 3.960 0.000 0.000 0.463 308 G C -0.418 174.011 174.900 -0.786 0.000 1.394 308 G CA 0.332 44.717 45.100 -1.192 0.000 0.862 308 G HN 1.836 nan 8.290 nan 0.000 0.540 309 F N -0.102 119.604 119.950 -0.405 0.000 2.593 309 F HA 0.838 5.365 4.527 0.000 0.000 0.320 309 F C 0.802 176.556 175.800 -0.076 0.000 1.060 309 F CA -0.007 57.891 58.000 -0.171 0.000 0.940 309 F CB 2.086 41.007 39.000 -0.131 0.000 1.268 309 F HN 1.020 nan 8.300 nan 0.000 0.475 310 A N 1.000 123.897 122.820 0.127 0.000 2.344 310 A HA 0.545 4.865 4.320 0.000 0.000 0.307 310 A C 0.796 178.290 177.584 -0.151 0.000 1.151 310 A CA -0.607 51.414 52.037 -0.026 0.000 0.842 310 A CB 1.357 20.353 19.000 -0.006 0.000 1.350 310 A HN 0.898 nan 8.150 nan 0.000 0.459 311 K N -0.833 119.213 120.400 -0.590 0.000 2.155 311 K HA -0.023 4.297 4.320 0.000 0.000 0.203 311 K C -0.476 176.087 176.600 -0.062 0.000 1.052 311 K CA 0.723 56.669 56.287 -0.568 0.000 0.948 311 K CB 0.028 31.914 32.500 -1.024 0.000 0.728 311 K HN 0.567 nan 8.250 nan 0.000 0.448 312 W N 1.533 122.866 121.300 0.056 0.000 2.962 312 W HA 0.405 5.065 4.660 0.000 0.000 0.341 312 W C -2.627 173.910 176.519 0.030 0.000 1.155 312 W CA -3.174 54.247 57.345 0.128 0.000 1.165 312 W CB 0.357 29.884 29.460 0.112 0.000 1.435 312 W HN -0.197 nan 8.180 nan 0.000 0.546 313 P HA 0.138 nan 4.420 nan 0.000 0.272 313 P C 0.085 177.455 177.300 0.117 0.000 1.223 313 P CA 0.905 64.063 63.100 0.096 0.000 0.784 313 P CB 0.215 31.938 31.700 0.039 0.000 0.923 314 D N -1.593 118.850 120.400 0.072 0.000 2.812 314 D HA -0.068 4.572 4.640 0.000 0.000 0.237 314 D C -0.029 176.320 176.300 0.082 0.000 1.162 314 D CA 1.140 55.180 54.000 0.067 0.000 0.740 314 D CB -1.993 38.839 40.800 0.052 0.000 1.000 314 D HN 0.595 nan 8.370 nan 0.000 0.416 315 S N -1.293 114.458 115.700 0.086 0.000 2.550 315 S HA 0.569 5.039 4.470 0.000 0.000 0.270 315 S C -0.653 174.010 174.600 0.104 0.000 1.145 315 S CA -0.444 57.785 58.200 0.048 0.000 0.852 315 S CB 1.232 64.499 63.200 0.111 0.000 1.119 315 S HN 0.609 nan 8.310 nan 0.000 0.465 316 H N 2.896 121.996 119.070 0.049 0.000 2.764 316 H HA 0.292 4.848 4.556 0.000 0.000 0.341 316 H C -1.890 173.475 175.328 0.061 0.000 1.072 316 H CA -1.341 54.743 56.048 0.061 0.000 1.444 316 H CB 0.572 30.381 29.762 0.079 0.000 1.458 316 H HN 0.434 nan 8.280 nan 0.000 0.572 317 P HA 0.081 nan 4.420 nan 0.000 0.276 317 P C -1.004 176.478 177.300 0.304 0.000 1.252 317 P CA -0.394 62.799 63.100 0.155 0.000 0.802 317 P CB 1.463 33.169 31.700 0.010 0.000 1.035 318 D N -1.803 118.789 120.400 0.319 0.000 2.615 318 D HA 0.432 5.072 4.640 0.000 0.000 0.267 318 D C 0.802 177.352 176.300 0.416 0.000 1.236 318 D CA -0.922 53.346 54.000 0.446 0.000 0.839 318 D CB 0.213 41.245 40.800 0.386 0.000 1.380 318 D HN 0.186 nan 8.370 nan 0.000 0.433 319 A N 0.166 123.254 122.820 0.447 0.000 1.908 319 A HA -0.138 4.182 4.320 0.000 0.000 0.218 319 A C 2.020 179.576 177.584 -0.047 0.000 1.181 319 A CA 1.741 54.024 52.037 0.411 0.000 0.627 319 A CB -1.025 18.243 19.000 0.447 0.000 0.818 319 A HN 0.632 nan 8.150 nan 0.000 0.445 320 L N -1.371 119.679 121.223 -0.288 0.000 1.989 320 L HA -0.235 4.105 4.340 0.000 0.000 0.211 320 L C 2.502 179.057 176.870 -0.525 0.000 1.071 320 L CA 2.380 56.683 54.840 -0.895 0.000 0.749 320 L CB -0.407 41.415 42.059 -0.394 0.000 0.890 320 L HN 0.564 nan 8.230 nan 0.000 0.431 321 H N -0.719 118.305 119.070 -0.077 0.000 2.462 321 H HA 0.025 4.581 4.556 0.000 0.000 0.292 321 H C 2.126 177.425 175.328 -0.050 0.000 1.049 321 H CA 0.998 57.034 56.048 -0.020 0.000 1.334 321 H CB -0.152 29.633 29.762 0.038 0.000 1.404 321 H HN 0.523 nan 8.280 nan 0.000 0.544 322 A N 0.383 123.237 122.820 0.056 0.000 1.873 322 A HA -0.225 4.095 4.320 0.000 0.000 0.215 322 A C 2.079 179.715 177.584 0.086 0.000 1.186 322 A CA 1.556 53.627 52.037 0.057 0.000 0.616 322 A CB -0.937 17.932 19.000 -0.219 0.000 0.823 322 A HN 0.517 nan 8.150 nan 0.000 0.442 323 Y N -0.513 119.705 120.300 -0.136 0.000 2.114 323 Y HA -0.182 4.368 4.550 0.000 0.000 0.284 323 Y C 1.978 177.514 175.900 -0.607 0.000 1.143 323 Y CA 1.786 59.637 58.100 -0.415 0.000 1.135 323 Y CB -0.631 37.347 38.460 -0.804 0.000 0.980 323 Y HN 0.284 nan 8.280 nan 0.000 0.499 324 F N -0.268 119.301 119.950 -0.635 0.000 2.293 324 F HA -0.046 4.481 4.527 0.000 0.000 0.300 324 F C 2.541 177.962 175.800 -0.632 0.000 1.086 324 F CA 0.751 58.273 58.000 -0.796 0.000 1.375 324 F CB -0.646 37.906 39.000 -0.746 0.000 1.045 324 F HN 0.169 nan 8.300 nan 0.000 0.516 325 G N 0.371 108.915 108.800 -0.427 0.000 2.402 325 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 325 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 325 G C 1.680 176.115 174.900 -0.775 0.000 1.162 325 G CA 0.655 45.351 45.100 -0.674 0.000 0.777 325 G HN 0.320 nan 8.290 nan 0.000 0.539 326 I N 0.321 120.479 120.570 -0.686 0.000 2.252 326 I HA -0.181 3.989 4.170 0.000 0.000 0.245 326 I C 2.724 178.553 176.117 -0.479 0.000 1.102 326 I CA 0.605 61.612 61.300 -0.490 0.000 1.385 326 I CB -0.190 37.689 38.000 -0.201 0.000 1.064 326 I HN 0.183 nan 8.210 nan 0.000 0.414 327 C N 0.778 119.713 119.300 -0.609 0.000 2.422 327 C HA -0.093 4.367 4.460 0.000 0.000 0.279 327 C C 2.910 177.728 174.990 -0.287 0.000 1.305 327 C CA 0.985 59.693 59.018 -0.518 0.000 1.757 327 C CB -1.732 25.497 27.740 -0.853 0.000 1.962 327 C HN 0.674 nan 8.230 nan 0.000 0.499 328 G N 0.183 108.808 108.800 -0.292 0.000 2.418 328 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 328 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 328 G C 1.412 176.163 174.900 -0.248 0.000 1.158 328 G CA 0.562 45.522 45.100 -0.233 0.000 0.771 328 G HN 0.353 nan 8.290 nan 0.000 0.545 329 L N 1.159 122.197 121.223 -0.309 0.000 2.046 329 L HA 0.006 4.346 4.340 0.000 0.000 0.208 329 L C 3.074 179.788 176.870 -0.261 0.000 1.077 329 L CA 1.844 56.503 54.840 -0.303 0.000 0.747 329 L CB -1.014 40.780 42.059 -0.442 0.000 0.896 329 L HN 0.318 nan 8.230 nan 0.000 0.432 330 S N -0.736 114.807 115.700 -0.263 0.000 2.365 330 S HA -0.188 4.282 4.470 0.000 0.000 0.225 330 S C 2.041 176.553 174.600 -0.146 0.000 1.039 330 S CA 1.030 59.116 58.200 -0.191 0.000 1.033 330 S CB -0.223 62.867 63.200 -0.185 0.000 0.887 330 S HN 0.255 nan 8.310 nan 0.000 0.447 331 L N 1.064 122.171 121.223 -0.193 0.000 2.137 331 L HA 0.002 4.342 4.340 0.000 0.000 0.213 331 L C 2.051 178.888 176.870 -0.055 0.000 1.085 331 L CA 1.781 56.480 54.840 -0.236 0.000 0.760 331 L CB -1.045 40.648 42.059 -0.610 0.000 0.893 331 L HN 0.513 nan 8.230 nan 0.000 0.434 332 M N -1.499 118.033 119.600 -0.114 0.000 2.475 332 M HA 0.094 4.574 4.480 0.000 0.000 0.261 332 M C -0.089 176.231 176.300 0.033 0.000 1.177 332 M CA -0.018 55.193 55.300 -0.150 0.000 0.979 332 M CB 0.105 32.397 32.600 -0.512 0.000 1.482 332 M HN 0.070 nan 8.290 nan 0.000 0.484 333 E N 1.765 121.967 120.200 0.003 0.000 2.230 333 E HA -0.188 4.162 4.350 0.000 0.000 0.206 333 E C -0.100 176.489 176.600 -0.018 0.000 1.309 333 E CA 0.188 56.593 56.400 0.007 0.000 0.697 333 E CB -0.805 28.931 29.700 0.061 0.000 1.146 333 E HN 0.398 nan 8.360 nan 0.000 0.363 334 E N 0.588 120.734 120.200 -0.091 0.000 2.442 334 E HA 0.051 4.401 4.350 0.000 0.000 0.262 334 E C -0.370 176.183 176.600 -0.078 0.000 1.004 334 E CA 0.246 56.566 56.400 -0.132 0.000 0.928 334 E CB 0.860 30.369 29.700 -0.319 0.000 0.937 334 E HN 0.163 nan 8.360 nan 0.000 0.446 335 S N 3.242 118.925 115.700 -0.028 0.000 2.466 335 S HA 0.400 4.870 4.470 0.000 0.000 0.286 335 S C 0.786 175.416 174.600 0.049 0.000 1.221 335 S CA 0.758 58.971 58.200 0.022 0.000 1.091 335 S CB -0.671 62.558 63.200 0.049 0.000 0.956 335 S HN 0.897 nan 8.310 nan 0.000 0.501 336 G N 4.207 113.037 108.800 0.051 0.000 2.168 336 G HA2 -0.149 3.811 3.960 0.000 0.000 0.197 336 G HA3 -0.149 3.811 3.960 0.000 0.000 0.197 336 G C -0.104 174.851 174.900 0.090 0.000 0.997 336 G CA -0.080 45.082 45.100 0.102 0.000 0.658 336 G HN 0.711 nan 8.290 nan 0.000 0.513 337 I N 1.030 121.602 120.570 0.004 0.000 2.466 337 I HA 0.327 4.497 4.170 0.000 0.000 0.289 337 I C 0.888 176.988 176.117 -0.028 0.000 1.026 337 I CA -1.171 60.114 61.300 -0.025 0.000 1.078 337 I CB 1.757 39.670 38.000 -0.146 0.000 1.249 337 I HN 0.086 nan 8.210 nan 0.000 0.429 338 C N 3.400 122.694 119.300 -0.010 0.000 2.702 338 C HA 0.042 4.502 4.460 0.000 0.000 0.411 338 C C 1.080 176.057 174.990 -0.022 0.000 1.286 338 C CA -0.635 58.380 59.018 -0.006 0.000 1.979 338 C CB -0.216 27.527 27.740 0.005 0.000 2.728 338 C HN 0.633 nan 8.230 nan 0.000 0.652 339 K N 1.267 121.665 120.400 -0.004 0.000 2.379 339 K HA 0.259 4.579 4.320 0.000 0.000 0.284 339 K C -0.115 176.494 176.600 0.015 0.000 1.044 339 K CA -0.186 56.099 56.287 -0.004 0.000 0.974 339 K CB 1.032 33.538 32.500 0.009 0.000 0.962 339 K HN 0.579 nan 8.250 nan 0.000 0.474 340 V N 4.096 124.014 119.914 0.007 0.000 2.546 340 V HA 0.173 4.293 4.120 0.000 0.000 0.284 340 V C 0.162 176.339 176.094 0.140 0.000 1.050 340 V CA -0.574 61.764 62.300 0.064 0.000 0.981 340 V CB 1.102 32.937 31.823 0.020 0.000 0.990 340 V HN 0.922 nan 8.190 nan 0.000 0.474 341 H N 9.464 128.597 119.070 0.107 0.000 3.089 341 H HA 0.287 4.843 4.556 0.000 0.000 0.262 341 H C -1.674 173.778 175.328 0.206 0.000 1.160 341 H CA -1.815 54.307 56.048 0.124 0.000 1.482 341 H CB 1.485 31.316 29.762 0.115 0.000 1.511 341 H HN 0.559 nan 8.280 nan 0.000 0.483 342 P HA -0.145 nan 4.420 nan 0.000 0.222 342 P C 0.765 178.341 177.300 0.460 0.000 1.142 342 P CA 1.397 64.669 63.100 0.287 0.000 0.788 342 P CB 0.351 32.074 31.700 0.038 0.000 0.767 343 A N -1.258 121.882 122.820 0.533 0.000 2.055 343 A HA 0.140 4.460 4.320 0.000 0.000 0.205 343 A C 1.937 179.784 177.584 0.438 0.000 1.235 343 A CA 0.197 52.485 52.037 0.419 0.000 0.822 343 A CB -0.860 18.302 19.000 0.270 0.000 0.903 343 A HN 0.147 nan 8.150 nan 0.000 0.473 344 L N -0.696 120.714 121.223 0.312 0.000 2.477 344 L HA 0.251 4.591 4.340 0.000 0.000 0.220 344 L C 0.573 177.651 176.870 0.346 0.000 1.106 344 L CA 1.087 55.955 54.840 0.048 0.000 0.851 344 L CB -0.543 41.217 42.059 -0.499 0.000 0.994 344 L HN 0.521 nan 8.230 nan 0.000 0.462 345 N N -0.397 118.614 118.700 0.518 0.000 2.758 345 N HA -0.170 4.570 4.740 0.000 0.000 0.248 345 N C -0.754 175.030 175.510 0.457 0.000 1.076 345 N CA 0.967 54.351 53.050 0.556 0.000 0.696 345 N CB -1.263 37.669 38.487 0.741 0.000 0.979 345 N HN 0.271 nan 8.380 nan 0.000 0.550 346 V N -3.464 116.634 119.914 0.306 0.000 3.160 346 V HA 0.845 4.965 4.120 0.000 0.000 0.310 346 V C 0.626 176.817 176.094 0.163 0.000 1.181 346 V CA -0.454 61.972 62.300 0.211 0.000 1.047 346 V CB 1.516 33.427 31.823 0.147 0.000 1.068 346 V HN 0.436 nan 8.190 nan 0.000 0.441 347 S N 0.125 115.882 115.700 0.096 0.000 2.579 347 S HA 0.168 4.638 4.470 0.000 0.000 0.275 347 S C 1.415 176.081 174.600 0.111 0.000 1.345 347 S CA 0.387 58.633 58.200 0.077 0.000 1.031 347 S CB 0.894 64.113 63.200 0.033 0.000 0.892 347 S HN 1.754 nan 8.310 nan 0.000 0.529 348 T N 0.317 114.940 114.554 0.115 0.000 2.720 348 T HA -0.265 4.085 4.350 0.000 0.000 0.268 348 T C 1.791 176.546 174.700 0.092 0.000 1.037 348 T CA 1.330 63.511 62.100 0.135 0.000 1.144 348 T CB -0.596 68.324 68.868 0.087 0.000 0.864 348 T HN 0.777 nan 8.240 nan 0.000 0.444 349 R N 1.294 121.829 120.500 0.058 0.000 2.096 349 R HA -0.142 4.198 4.340 0.000 0.000 0.240 349 R C 2.321 178.639 176.300 0.029 0.000 1.139 349 R CA 2.262 58.384 56.100 0.037 0.000 0.952 349 R CB -1.050 29.265 30.300 0.026 0.000 0.854 349 R HN 0.448 nan 8.270 nan 0.000 0.436 350 T N 0.076 114.649 114.554 0.032 0.000 2.857 350 T HA -0.119 4.231 4.350 0.000 0.000 0.266 350 T C 1.861 176.567 174.700 0.009 0.000 1.048 350 T CA 1.344 63.454 62.100 0.016 0.000 1.139 350 T CB -0.223 68.657 68.868 0.020 0.000 0.874 350 T HN 0.568 nan 8.240 nan 0.000 0.455 351 S N 1.667 117.393 115.700 0.042 0.000 2.399 351 S HA -0.122 4.348 4.470 0.000 0.000 0.231 351 S C 1.844 176.458 174.600 0.024 0.000 1.022 351 S CA 1.070 59.291 58.200 0.035 0.000 0.983 351 S CB -0.348 62.938 63.200 0.144 0.000 0.803 351 S HN 0.560 nan 8.310 nan 0.000 0.480 352 E N 1.045 121.265 120.200 0.033 0.000 2.046 352 E HA -0.017 4.333 4.350 0.000 0.000 0.190 352 E C 2.398 178.970 176.600 -0.045 0.000 0.982 352 E CA 0.587 56.991 56.400 0.008 0.000 0.800 352 E CB -0.189 29.524 29.700 0.023 0.000 0.756 352 E HN 0.446 nan 8.360 nan 0.000 0.449 353 R N 0.798 121.272 120.500 -0.043 0.000 2.159 353 R HA -0.183 4.157 4.340 0.000 0.000 0.237 353 R C 2.287 178.505 176.300 -0.137 0.000 1.131 353 R CA 0.830 56.891 56.100 -0.065 0.000 0.982 353 R CB -0.155 30.122 30.300 -0.039 0.000 0.868 353 R HN 0.143 nan 8.270 nan 0.000 0.453 354 L N 0.824 121.942 121.223 -0.175 0.000 2.072 354 L HA -0.110 4.230 4.340 0.000 0.000 0.205 354 L C 2.850 179.392 176.870 -0.548 0.000 1.079 354 L CA 2.300 56.925 54.840 -0.358 0.000 0.752 354 L CB -0.736 41.144 42.059 -0.298 0.000 0.906 354 L HN 0.093 nan 8.230 nan 0.000 0.436 355 R N -0.225 120.087 120.500 -0.314 0.000 2.083 355 R HA -0.191 4.149 4.340 0.000 0.000 0.237 355 R C 1.904 178.077 176.300 -0.212 0.000 1.137 355 R CA 2.045 58.005 56.100 -0.233 0.000 0.951 355 R CB -1.962 28.295 30.300 -0.072 0.000 0.851 355 R HN 0.571 nan 8.270 nan 0.000 0.434 356 D N 0.702 120.999 120.400 -0.171 0.000 2.104 356 D HA -0.120 4.520 4.640 0.000 0.000 0.194 356 D C 2.034 178.209 176.300 -0.208 0.000 0.994 356 D CA 1.225 55.144 54.000 -0.135 0.000 0.830 356 D CB -0.431 40.316 40.800 -0.088 0.000 0.959 356 D HN 0.360 nan 8.370 nan 0.000 0.452 357 L N 0.287 121.324 121.223 -0.310 0.000 2.012 357 L HA -0.248 4.092 4.340 0.000 0.000 0.210 357 L C 2.407 178.766 176.870 -0.851 0.000 1.073 357 L CA 1.611 56.171 54.840 -0.467 0.000 0.748 357 L CB -0.267 41.522 42.059 -0.451 0.000 0.891 357 L HN 0.233 nan 8.230 nan 0.000 0.431 358 H N -1.473 117.085 119.070 -0.852 0.000 2.353 358 H HA -0.225 4.331 4.556 0.000 0.000 0.300 358 H C 2.464 177.557 175.328 -0.392 0.000 1.090 358 H CA 1.151 56.711 56.048 -0.814 0.000 1.327 358 H CB -0.004 29.478 29.762 -0.466 0.000 1.383 358 H HN 0.507 nan 8.280 nan 0.000 0.508 359 Q N 1.153 120.881 119.800 -0.119 0.000 2.045 359 Q HA -0.216 4.124 4.340 0.000 0.000 0.206 359 Q C 2.425 178.421 176.000 -0.008 0.000 0.991 359 Q CA 1.971 57.751 55.803 -0.038 0.000 0.851 359 Q CB -1.159 27.558 28.738 -0.034 0.000 0.911 359 Q HN 0.469 nan 8.270 nan 0.000 0.418 360 S N -0.068 115.604 115.700 -0.047 0.000 2.380 360 S HA -0.224 4.246 4.470 0.000 0.000 0.229 360 S C 1.659 176.385 174.600 0.210 0.000 1.050 360 S CA 1.704 59.938 58.200 0.057 0.000 1.100 360 S CB -0.700 62.533 63.200 0.055 0.000 0.984 360 S HN 0.832 nan 8.310 nan 0.000 0.434 361 W N 1.652 122.978 121.300 0.042 0.000 2.318 361 W HA -0.044 4.616 4.660 0.000 0.000 0.313 361 W C 1.948 178.475 176.519 0.013 0.000 1.221 361 W CA 1.012 58.372 57.345 0.024 0.000 1.266 361 W CB -1.340 28.131 29.460 0.018 0.000 1.150 361 W HN 0.344 nan 8.180 nan 0.000 0.496 362 K N 1.993 122.536 120.400 0.240 0.000 1.981 362 K HA 0.339 4.659 4.320 0.000 0.000 0.220 362 K C 0.287 176.945 176.600 0.096 0.000 1.176 362 K CA 1.108 57.474 56.287 0.133 0.000 1.181 362 K CB -1.511 31.043 32.500 0.089 0.000 1.218 362 K HN 0.331 nan 8.250 nan 0.000 0.260 363 T N 0.000 114.609 114.554 0.092 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.139 62.100 0.066 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