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 2zsa_1_A DATA FIRST_RESID 6 DATA SEQUENCE EPSPYVEFDR RQWRALRMST PLALTEEELV GLRGLGEQID LLEVEEVYLP DATA SEQUENCE LARLIHLQVA ARQRLFAATA EFLGEPQQNP DRPVPFIIGV AGSVAVGKST DATA SEQUENCE TARVLQALLA RWDHHPRVDL VTTDGFLYPN AELQRRNLMH RKGFPESYNR DATA SEQUENCE RALMRFVTSV KSGSDYACAP VYSHLHYDII PGAEQVVRHP DILILEGLNV DATA SEQUENCE LQTGPTLMVS DLFDFSLYVD ARIEDIEQWY VSRFLAMRTT AFADPESHFH DATA SEQUENCE HYAAFSDSQA VVAAREIWRT INRPNLVENI LPTRPRATLV LRKDADHSIN DATA SEQUENCE RLRLRKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.599 176.600 -0.002 0.000 1.382 6 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 6 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 7 P HA 0.069 nan 4.420 nan 0.000 0.266 7 P C -0.817 176.478 177.300 -0.008 0.000 1.186 7 P CA -0.057 63.036 63.100 -0.010 0.000 0.767 7 P CB 1.115 32.805 31.700 -0.016 0.000 0.820 8 S N 1.255 116.949 115.700 -0.010 0.000 2.564 8 S HA 0.505 4.975 4.470 -0.000 0.000 0.274 8 S C -2.182 172.377 174.600 -0.068 0.000 1.124 8 S CA -1.158 57.037 58.200 -0.008 0.000 0.869 8 S CB 1.911 65.150 63.200 0.066 0.000 1.105 8 S HN 0.361 nan 8.310 nan 0.000 0.472 9 P HA 0.165 nan 4.420 nan 0.000 0.240 9 P C -0.463 176.648 177.300 -0.315 0.000 1.190 9 P CA 0.438 63.346 63.100 -0.321 0.000 0.781 9 P CB -0.023 31.373 31.700 -0.506 0.000 0.931 10 Y N -0.802 119.496 120.300 -0.003 0.000 2.596 10 Y HA 0.547 5.097 4.550 -0.000 0.000 0.326 10 Y C 0.352 176.258 175.900 0.010 0.000 1.167 10 Y CA -1.238 56.869 58.100 0.012 0.000 1.246 10 Y CB 0.955 39.414 38.460 -0.001 0.000 1.347 10 Y HN -0.365 nan 8.280 nan 0.000 0.515 11 V N 1.245 121.299 119.914 0.233 0.000 2.711 11 V HA 0.384 4.504 4.120 -0.000 0.000 0.304 11 V C -1.320 174.796 176.094 0.037 0.000 1.097 11 V CA -0.579 61.754 62.300 0.054 0.000 0.906 11 V CB 1.612 33.444 31.823 0.015 0.000 1.015 11 V HN 0.792 nan 8.190 nan 0.000 0.427 12 E N 5.490 125.629 120.200 -0.102 0.000 2.242 12 E HA 0.563 4.913 4.350 -0.000 0.000 0.275 12 E C -1.476 175.026 176.600 -0.162 0.000 1.002 12 E CA -0.139 56.248 56.400 -0.023 0.000 0.841 12 E CB 2.202 31.883 29.700 -0.032 0.000 1.109 12 E HN 0.554 nan 8.360 nan 0.000 0.394 13 F N 0.459 120.449 119.950 0.067 0.000 2.620 13 F HA 0.223 4.750 4.527 -0.000 0.000 0.320 13 F C 0.122 175.964 175.800 0.071 0.000 1.069 13 F CA -1.028 57.043 58.000 0.118 0.000 0.953 13 F CB 1.383 40.542 39.000 0.265 0.000 1.322 13 F HN 0.303 nan 8.300 nan 0.000 0.479 14 D N -0.966 119.618 120.400 0.308 0.000 2.392 14 D HA 0.375 5.015 4.640 -0.000 0.000 0.246 14 D C 0.797 177.232 176.300 0.226 0.000 1.013 14 D CA -0.876 53.236 54.000 0.186 0.000 0.993 14 D CB 1.003 41.877 40.800 0.124 0.000 1.219 14 D HN 0.469 nan 8.370 nan 0.000 0.538 15 R N -0.538 120.055 120.500 0.155 0.000 2.105 15 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 15 R C 2.033 178.450 176.300 0.195 0.000 1.135 15 R CA 1.531 57.734 56.100 0.172 0.000 0.967 15 R CB -0.092 30.277 30.300 0.115 0.000 0.861 15 R HN 0.455 nan 8.270 nan 0.000 0.442 16 R N 0.588 121.181 120.500 0.155 0.000 2.097 16 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 16 R C 2.167 178.562 176.300 0.159 0.000 1.135 16 R CA 2.360 58.538 56.100 0.131 0.000 0.934 16 R CB -0.297 30.064 30.300 0.102 0.000 0.846 16 R HN 0.395 nan 8.270 nan 0.000 0.431 17 Q N -1.089 118.842 119.800 0.218 0.000 2.050 17 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 17 Q C 1.965 178.154 176.000 0.315 0.000 0.980 17 Q CA 1.536 57.506 55.803 0.280 0.000 0.840 17 Q CB -0.487 28.470 28.738 0.366 0.000 0.898 17 Q HN 0.535 nan 8.270 nan 0.000 0.424 18 W N 2.336 123.720 121.300 0.141 0.000 2.402 18 W HA -0.146 4.514 4.660 -0.000 0.000 0.286 18 W C 2.000 178.486 176.519 -0.055 0.000 1.221 18 W CA 1.260 58.556 57.345 -0.081 0.000 1.257 18 W CB -0.063 29.297 29.460 -0.166 0.000 1.120 18 W HN 0.123 nan 8.180 nan 0.000 0.551 19 R N 0.994 121.561 120.500 0.112 0.000 2.096 19 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 19 R C 2.290 178.554 176.300 -0.059 0.000 1.127 19 R CA 1.915 58.035 56.100 0.034 0.000 0.968 19 R CB -0.715 29.639 30.300 0.091 0.000 0.861 19 R HN 0.028 nan 8.270 nan 0.000 0.440 20 A N 0.733 123.530 122.820 -0.039 0.000 2.019 20 A HA -0.076 4.243 4.320 -0.000 0.000 0.219 20 A C 1.715 179.228 177.584 -0.117 0.000 1.164 20 A CA 0.846 52.854 52.037 -0.047 0.000 0.644 20 A CB -0.195 18.805 19.000 -0.001 0.000 0.805 20 A HN 0.280 nan 8.150 nan 0.000 0.449 21 L N -0.293 120.784 121.223 -0.243 0.000 2.610 21 L HA 0.070 4.410 4.340 -0.000 0.000 0.232 21 L C 2.167 178.848 176.870 -0.316 0.000 1.149 21 L CA 1.036 55.675 54.840 -0.336 0.000 0.872 21 L CB -0.962 40.729 42.059 -0.615 0.000 0.992 21 L HN 0.507 nan 8.230 nan 0.000 0.447 22 R N -0.622 119.741 120.500 -0.229 0.000 2.090 22 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 22 R C 0.831 177.077 176.300 -0.090 0.000 1.110 22 R CA 0.568 56.577 56.100 -0.152 0.000 0.973 22 R CB 0.182 30.434 30.300 -0.081 0.000 0.869 22 R HN 0.086 nan 8.270 nan 0.000 0.440 23 M N -0.900 118.658 119.600 -0.071 0.000 7.319 23 M HA -0.321 4.159 4.480 -0.000 0.000 0.313 23 M C 1.329 177.623 176.300 -0.009 0.000 0.480 23 M CA 2.053 57.332 55.300 -0.036 0.000 1.311 23 M CB -2.202 30.377 32.600 -0.035 0.000 0.421 23 M HN 0.218 nan 8.290 nan 0.000 0.852 24 S N -0.055 115.650 115.700 0.009 0.000 2.562 24 S HA 0.037 4.507 4.470 -0.000 0.000 0.221 24 S C 0.190 174.822 174.600 0.052 0.000 0.975 24 S CA 0.931 59.148 58.200 0.028 0.000 0.918 24 S CB -0.433 62.787 63.200 0.033 0.000 0.772 24 S HN 0.606 nan 8.310 nan 0.000 0.531 25 T N 5.582 120.167 114.554 0.053 0.000 2.656 25 T HA 0.047 4.397 4.350 -0.000 0.000 0.258 25 T C -2.416 172.335 174.700 0.086 0.000 1.020 25 T CA -0.271 61.879 62.100 0.083 0.000 1.191 25 T CB 0.310 69.191 68.868 0.022 0.000 1.004 25 T HN 0.419 nan 8.240 nan 0.000 0.498 26 P HA 0.222 nan 4.420 nan 0.000 0.284 26 P C -0.563 176.795 177.300 0.098 0.000 1.253 26 P CA -0.794 62.365 63.100 0.098 0.000 0.800 26 P CB 0.886 32.645 31.700 0.098 0.000 0.961 27 L N 3.563 124.826 121.223 0.067 0.000 2.261 27 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 27 L C 0.113 177.015 176.870 0.054 0.000 1.059 27 L CA -0.235 54.640 54.840 0.058 0.000 0.816 27 L CB 0.388 42.472 42.059 0.041 0.000 1.191 27 L HN 0.448 nan 8.230 nan 0.000 0.431 28 A N 6.132 128.992 122.820 0.066 0.000 2.827 28 A HA 0.441 4.761 4.320 -0.000 0.000 0.300 28 A C -0.562 177.046 177.584 0.040 0.000 1.237 28 A CA -0.341 51.731 52.037 0.058 0.000 0.964 28 A CB -0.018 19.035 19.000 0.087 0.000 1.143 28 A HN 0.580 nan 8.150 nan 0.000 0.554 29 L N 0.545 121.782 121.223 0.023 0.000 2.431 29 L HA 0.610 4.950 4.340 -0.000 0.000 0.266 29 L C 0.265 177.131 176.870 -0.006 0.000 0.978 29 L CA 0.115 54.958 54.840 0.004 0.000 0.822 29 L CB 2.190 44.243 42.059 -0.009 0.000 1.310 29 L HN 0.303 nan 8.230 nan 0.000 0.409 30 T N -0.422 114.125 114.554 -0.012 0.000 2.918 30 T HA 0.328 4.678 4.350 -0.000 0.000 0.283 30 T C 0.815 175.500 174.700 -0.026 0.000 1.001 30 T CA -0.299 61.791 62.100 -0.016 0.000 1.041 30 T CB 1.341 70.200 68.868 -0.014 0.000 1.028 30 T HN 0.636 nan 8.240 nan 0.000 0.511 31 E N 0.317 120.502 120.200 -0.026 0.000 2.160 31 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 31 E C 1.936 178.513 176.600 -0.039 0.000 0.991 31 E CA 1.768 58.147 56.400 -0.034 0.000 0.810 31 E CB -0.182 29.500 29.700 -0.029 0.000 0.742 31 E HN 0.892 nan 8.360 nan 0.000 0.466 32 E N 0.094 120.274 120.200 -0.032 0.000 2.072 32 E HA -0.200 4.150 4.350 -0.000 0.000 0.190 32 E C 1.705 178.283 176.600 -0.037 0.000 0.982 32 E CA 1.194 57.574 56.400 -0.033 0.000 0.803 32 E CB -0.038 29.646 29.700 -0.027 0.000 0.755 32 E HN 0.375 nan 8.360 nan 0.000 0.453 33 E N 0.281 120.460 120.200 -0.034 0.000 2.150 33 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 33 E C 2.096 178.667 176.600 -0.048 0.000 0.985 33 E CA 0.577 56.956 56.400 -0.035 0.000 0.814 33 E CB -0.038 29.646 29.700 -0.028 0.000 0.752 33 E HN 0.219 nan 8.360 nan 0.000 0.466 34 L N 0.785 121.974 121.223 -0.057 0.000 2.046 34 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 34 L C 2.200 179.022 176.870 -0.081 0.000 1.077 34 L CA 1.343 56.136 54.840 -0.079 0.000 0.747 34 L CB -0.376 41.633 42.059 -0.084 0.000 0.896 34 L HN -0.055 nan 8.230 nan 0.000 0.432 35 V N 0.089 119.961 119.914 -0.070 0.000 2.332 35 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 35 V C 2.521 178.574 176.094 -0.068 0.000 1.055 35 V CA 1.862 64.120 62.300 -0.071 0.000 1.038 35 V CB -1.535 30.252 31.823 -0.061 0.000 0.651 35 V HN 0.644 nan 8.190 nan 0.000 0.450 36 G N -0.881 107.885 108.800 -0.057 0.000 2.559 36 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 36 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 36 G C 1.368 176.236 174.900 -0.053 0.000 1.126 36 G CA 0.539 45.609 45.100 -0.050 0.000 0.778 36 G HN 0.527 nan 8.290 nan 0.000 0.543 37 L N -1.035 120.150 121.223 -0.064 0.000 2.556 37 L HA 0.297 4.637 4.340 -0.000 0.000 0.226 37 L C 1.507 178.329 176.870 -0.081 0.000 1.089 37 L CA -0.379 54.421 54.840 -0.066 0.000 0.864 37 L CB 0.118 42.131 42.059 -0.075 0.000 1.067 37 L HN 0.012 nan 8.230 nan 0.000 0.477 38 R N 1.602 122.045 120.500 -0.094 0.000 2.401 38 R HA 0.272 4.612 4.340 -0.000 0.000 0.299 38 R C 0.180 176.415 176.300 -0.108 0.000 1.064 38 R CA 0.046 56.079 56.100 -0.111 0.000 1.000 38 R CB 0.741 30.969 30.300 -0.120 0.000 0.973 38 R HN 0.082 nan 8.270 nan 0.000 0.438 39 G N 3.166 111.897 108.800 -0.115 0.000 2.504 39 G HA2 0.251 4.211 3.960 -0.000 0.000 0.288 39 G HA3 0.251 4.211 3.960 -0.000 0.000 0.288 39 G C -0.839 173.970 174.900 -0.151 0.000 1.182 39 G CA -0.861 44.169 45.100 -0.118 0.000 0.894 39 G HN 0.562 nan 8.290 nan 0.000 0.521 40 L N 1.155 122.286 121.223 -0.154 0.000 2.584 40 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 40 L C 1.456 178.202 176.870 -0.208 0.000 1.195 40 L CA 2.066 56.800 54.840 -0.177 0.000 0.920 40 L CB 0.327 42.276 42.059 -0.183 0.000 1.173 40 L HN 1.318 nan 8.230 nan 0.000 0.489 41 G N 2.555 111.201 108.800 -0.256 0.000 2.213 41 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.236 41 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.236 41 G C 0.226 174.749 174.900 -0.629 0.000 0.991 41 G CA -0.034 44.844 45.100 -0.371 0.000 0.629 41 G HN 0.564 nan 8.290 nan 0.000 0.517 42 E N 0.663 120.592 120.200 -0.453 0.000 2.259 42 E HA 0.408 4.757 4.350 -0.000 0.000 0.281 42 E C 0.946 177.326 176.600 -0.367 0.000 1.027 42 E CA -0.462 55.662 56.400 -0.461 0.000 0.838 42 E CB 1.191 30.735 29.700 -0.259 0.000 1.066 42 E HN 0.333 nan 8.360 nan 0.000 0.401 43 Q N 1.568 121.152 119.800 -0.360 0.000 2.398 43 Q HA 0.138 4.478 4.340 -0.000 0.000 0.204 43 Q C 1.009 176.930 176.000 -0.132 0.000 0.932 43 Q CA -0.306 55.366 55.803 -0.218 0.000 0.916 43 Q CB 0.142 28.776 28.738 -0.173 0.000 1.024 43 Q HN 0.621 nan 8.270 nan 0.000 0.504 44 I N 4.012 124.511 120.570 -0.119 0.000 3.310 44 I HA -0.245 3.925 4.170 -0.000 0.000 0.345 44 I C -0.482 175.579 176.117 -0.093 0.000 1.215 44 I CA 0.440 61.684 61.300 -0.094 0.000 1.472 44 I CB 0.277 38.193 38.000 -0.140 0.000 1.305 44 I HN 0.147 nan 8.210 nan 0.000 0.500 45 D N 5.732 126.095 120.400 -0.061 0.000 2.467 45 D HA 0.246 4.886 4.640 -0.000 0.000 0.245 45 D C 0.792 177.066 176.300 -0.043 0.000 1.038 45 D CA -0.755 53.214 54.000 -0.051 0.000 1.038 45 D CB 0.849 41.630 40.800 -0.030 0.000 1.278 45 D HN 0.413 nan 8.370 nan 0.000 0.564 46 L N -0.463 120.740 121.223 -0.034 0.000 2.127 46 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 46 L C 2.166 179.040 176.870 0.006 0.000 1.089 46 L CA 0.731 55.558 54.840 -0.021 0.000 0.757 46 L CB -0.437 41.613 42.059 -0.015 0.000 0.899 46 L HN 0.399 nan 8.230 nan 0.000 0.434 47 L N 0.344 121.575 121.223 0.014 0.000 1.970 47 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 47 L C 2.478 179.386 176.870 0.064 0.000 1.071 47 L CA 2.056 56.917 54.840 0.035 0.000 0.751 47 L CB -0.621 41.458 42.059 0.032 0.000 0.889 47 L HN 0.248 nan 8.230 nan 0.000 0.432 48 E N -1.037 119.205 120.200 0.069 0.000 2.130 48 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 48 E C 2.022 178.746 176.600 0.207 0.000 0.998 48 E CA 1.676 58.153 56.400 0.130 0.000 0.806 48 E CB -0.043 29.729 29.700 0.120 0.000 0.738 48 E HN 0.450 nan 8.360 nan 0.000 0.459 49 V N 0.970 120.947 119.914 0.104 0.000 2.407 49 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 49 V C 2.005 178.200 176.094 0.169 0.000 1.055 49 V CA 2.113 64.475 62.300 0.104 0.000 1.049 49 V CB -0.450 31.348 31.823 -0.041 0.000 0.662 49 V HN 0.287 nan 8.190 nan 0.000 0.455 50 E N -0.077 120.191 120.200 0.113 0.000 2.051 50 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 50 E C 2.184 178.851 176.600 0.111 0.000 0.979 50 E CA 1.171 57.628 56.400 0.094 0.000 0.803 50 E CB -0.072 29.665 29.700 0.062 0.000 0.761 50 E HN 0.681 nan 8.360 nan 0.000 0.451 51 E N 0.050 120.330 120.200 0.133 0.000 2.371 51 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 51 E C 1.566 178.327 176.600 0.268 0.000 1.012 51 E CA 0.489 56.982 56.400 0.154 0.000 0.860 51 E CB 0.695 30.477 29.700 0.137 0.000 0.811 51 E HN 0.078 nan 8.360 nan 0.000 0.502 52 V N -0.786 119.298 119.914 0.282 0.000 3.029 52 V HA -0.051 4.069 4.120 -0.000 0.000 0.230 52 V C 1.261 177.488 176.094 0.222 0.000 1.254 52 V CA 0.372 62.845 62.300 0.289 0.000 1.276 52 V CB -0.218 31.654 31.823 0.082 0.000 1.080 52 V HN 0.107 nan 8.190 nan 0.000 0.495 53 Y N 0.515 120.894 120.300 0.131 0.000 2.457 53 Y HA 0.087 4.637 4.550 -0.000 0.000 0.292 53 Y C 2.153 178.078 175.900 0.043 0.000 1.125 53 Y CA 0.986 59.133 58.100 0.078 0.000 1.254 53 Y CB -0.275 38.201 38.460 0.026 0.000 1.012 53 Y HN 0.145 nan 8.280 nan 0.000 0.555 54 L N -0.288 121.034 121.223 0.164 0.000 2.044 54 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 54 L C -0.445 176.397 176.870 -0.048 0.000 1.075 54 L CA 0.910 55.778 54.840 0.046 0.000 0.747 54 L CB -1.633 40.451 42.059 0.042 0.000 0.903 54 L HN 0.117 nan 8.230 nan 0.000 0.435 55 P HA -0.205 nan 4.420 nan 0.000 0.215 55 P C 1.754 178.938 177.300 -0.192 0.000 1.153 55 P CA 1.143 64.057 63.100 -0.310 0.000 0.853 55 P CB 0.026 31.252 31.700 -0.790 0.000 0.788 56 L N 0.001 121.275 121.223 0.085 0.000 2.012 56 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 56 L C 2.195 178.948 176.870 -0.195 0.000 1.073 56 L CA 2.356 57.249 54.840 0.089 0.000 0.748 56 L CB -1.653 40.446 42.059 0.066 0.000 0.891 56 L HN -0.102 nan 8.230 nan 0.000 0.431 57 A N -0.350 122.330 122.820 -0.233 0.000 1.940 57 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 57 A C 2.555 179.746 177.584 -0.656 0.000 1.176 57 A CA 1.869 53.616 52.037 -0.484 0.000 0.631 57 A CB -0.702 18.085 19.000 -0.354 0.000 0.814 57 A HN 0.579 nan 8.150 nan 0.000 0.446 58 R N -0.696 119.583 120.500 -0.370 0.000 2.070 58 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 58 R C 2.140 178.284 176.300 -0.260 0.000 1.138 58 R CA 1.804 57.739 56.100 -0.275 0.000 0.936 58 R CB -0.545 29.644 30.300 -0.186 0.000 0.839 58 R HN 0.437 nan 8.270 nan 0.000 0.429 59 L N 1.454 122.537 121.223 -0.233 0.000 2.021 59 L HA -0.194 4.146 4.340 -0.000 0.000 0.215 59 L C 2.081 178.816 176.870 -0.225 0.000 1.074 59 L CA 1.803 56.551 54.840 -0.154 0.000 0.760 59 L CB -0.497 41.532 42.059 -0.051 0.000 0.889 59 L HN 0.320 nan 8.230 nan 0.000 0.433 60 I N -1.107 119.198 120.570 -0.442 0.000 2.286 60 I HA -0.345 3.825 4.170 -0.000 0.000 0.248 60 I C 2.320 178.127 176.117 -0.517 0.000 1.115 60 I CA 1.610 62.554 61.300 -0.593 0.000 1.392 60 I CB -0.438 37.108 38.000 -0.756 0.000 1.065 60 I HN 0.441 nan 8.210 nan 0.000 0.418 61 H N 0.172 118.977 119.070 -0.442 0.000 2.389 61 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 61 H C 2.294 177.491 175.328 -0.218 0.000 1.081 61 H CA 0.912 56.713 56.048 -0.413 0.000 1.345 61 H CB 0.127 29.525 29.762 -0.606 0.000 1.393 61 H HN 0.253 nan 8.280 nan 0.000 0.520 62 L N 0.450 121.643 121.223 -0.049 0.000 2.141 62 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 62 L C 2.220 179.095 176.870 0.008 0.000 1.094 62 L CA 0.942 55.781 54.840 -0.002 0.000 0.763 62 L CB -0.219 41.840 42.059 0.000 0.000 0.908 62 L HN 0.418 nan 8.230 nan 0.000 0.437 63 Q N -0.631 119.156 119.800 -0.021 0.000 2.187 63 Q HA -0.089 4.251 4.340 -0.000 0.000 0.199 63 Q C 2.441 178.467 176.000 0.043 0.000 0.957 63 Q CA 1.011 56.860 55.803 0.076 0.000 0.857 63 Q CB -0.136 28.728 28.738 0.210 0.000 0.929 63 Q HN 0.372 nan 8.270 nan 0.000 0.453 64 V N 1.719 121.471 119.914 -0.269 0.000 2.287 64 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 64 V C 2.454 178.566 176.094 0.030 0.000 1.053 64 V CA 2.092 64.200 62.300 -0.320 0.000 1.027 64 V CB -1.075 30.488 31.823 -0.434 0.000 0.646 64 V HN 0.361 nan 8.190 nan 0.000 0.447 65 A N -0.106 122.733 122.820 0.032 0.000 1.858 65 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 65 A C 2.442 180.086 177.584 0.101 0.000 1.190 65 A CA 2.269 54.352 52.037 0.077 0.000 0.617 65 A CB -0.954 18.086 19.000 0.067 0.000 0.827 65 A HN 0.602 nan 8.150 nan 0.000 0.443 66 A N -0.639 122.239 122.820 0.097 0.000 1.940 66 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 66 A C 2.192 179.851 177.584 0.124 0.000 1.176 66 A CA 2.131 54.227 52.037 0.099 0.000 0.631 66 A CB -0.426 18.630 19.000 0.094 0.000 0.814 66 A HN 0.439 nan 8.150 nan 0.000 0.446 67 R N -0.213 120.410 120.500 0.206 0.000 2.115 67 R HA -0.070 4.270 4.340 -0.000 0.000 0.230 67 R C 2.242 178.704 176.300 0.269 0.000 1.111 67 R CA 1.689 57.941 56.100 0.254 0.000 0.976 67 R CB -0.425 30.183 30.300 0.513 0.000 0.870 67 R HN 0.718 nan 8.270 nan 0.000 0.445 68 Q N -0.649 119.320 119.800 0.282 0.000 2.167 68 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 68 Q C 1.843 177.958 176.000 0.191 0.000 0.970 68 Q CA 0.927 56.905 55.803 0.292 0.000 0.855 68 Q CB 0.033 28.894 28.738 0.205 0.000 0.911 68 Q HN 0.156 nan 8.270 nan 0.000 0.438 69 R N 0.573 121.141 120.500 0.114 0.000 2.091 69 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 69 R C 2.236 178.552 176.300 0.028 0.000 1.136 69 R CA 1.099 57.239 56.100 0.066 0.000 0.959 69 R CB -0.853 29.474 30.300 0.045 0.000 0.856 69 R HN 0.331 nan 8.270 nan 0.000 0.437 70 L N -0.477 120.719 121.223 -0.044 0.000 1.994 70 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 70 L C 2.365 179.118 176.870 -0.196 0.000 1.071 70 L CA 1.432 56.162 54.840 -0.183 0.000 0.745 70 L CB -0.482 41.360 42.059 -0.363 0.000 0.892 70 L HN 0.037 nan 8.230 nan 0.000 0.431 71 F N -0.241 119.746 119.950 0.061 0.000 2.216 71 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 71 F C 2.512 178.347 175.800 0.059 0.000 1.085 71 F CA 0.976 59.011 58.000 0.058 0.000 1.326 71 F CB -0.936 38.102 39.000 0.062 0.000 1.027 71 F HN 0.031 nan 8.300 nan 0.000 0.497 72 A N 0.193 123.134 122.820 0.202 0.000 1.873 72 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 72 A C 2.483 180.131 177.584 0.108 0.000 1.186 72 A CA 1.680 53.801 52.037 0.140 0.000 0.616 72 A CB -1.324 17.743 19.000 0.111 0.000 0.823 72 A HN 0.284 nan 8.150 nan 0.000 0.442 73 A N -0.882 121.983 122.820 0.076 0.000 1.892 73 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 73 A C 2.317 179.966 177.584 0.109 0.000 1.188 73 A CA 2.536 54.613 52.037 0.067 0.000 0.631 73 A CB -1.413 17.599 19.000 0.019 0.000 0.822 73 A HN 0.440 nan 8.150 nan 0.000 0.447 74 T N 0.050 114.666 114.554 0.103 0.000 2.821 74 T HA 0.038 4.388 4.350 -0.000 0.000 0.267 74 T C 2.187 177.014 174.700 0.212 0.000 1.046 74 T CA 1.439 63.636 62.100 0.160 0.000 1.139 74 T CB -0.408 68.535 68.868 0.125 0.000 0.871 74 T HN 0.615 nan 8.240 nan 0.000 0.454 75 A N 1.299 124.218 122.820 0.164 0.000 1.933 75 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 75 A C 2.201 179.844 177.584 0.100 0.000 1.175 75 A CA 1.828 53.942 52.037 0.128 0.000 0.628 75 A CB -0.517 18.551 19.000 0.114 0.000 0.814 75 A HN 0.619 nan 8.150 nan 0.000 0.444 76 E N -1.227 119.039 120.200 0.110 0.000 2.072 76 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 76 E C 1.780 178.432 176.600 0.087 0.000 0.982 76 E CA 1.198 57.648 56.400 0.083 0.000 0.803 76 E CB -0.285 29.465 29.700 0.084 0.000 0.755 76 E HN 0.579 nan 8.360 nan 0.000 0.453 77 F N 1.519 121.481 119.950 0.019 0.000 2.126 77 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 77 F C 1.723 177.532 175.800 0.015 0.000 1.096 77 F CA 1.378 59.387 58.000 0.014 0.000 1.255 77 F CB -0.160 38.848 39.000 0.012 0.000 0.997 77 F HN 0.005 nan 8.300 nan 0.000 0.479 78 L N 0.029 121.163 121.223 -0.147 0.000 2.610 78 L HA 0.125 4.465 4.340 -0.000 0.000 0.232 78 L C 2.044 178.808 176.870 -0.176 0.000 1.149 78 L CA 0.726 55.428 54.840 -0.230 0.000 0.872 78 L CB -1.176 40.883 42.059 0.001 0.000 0.992 78 L HN 0.538 nan 8.230 nan 0.000 0.447 79 G N -0.111 108.611 108.800 -0.130 0.000 2.212 79 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.266 79 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.266 79 G C 0.280 175.157 174.900 -0.039 0.000 0.978 79 G CA 0.164 45.214 45.100 -0.084 0.000 0.632 79 G HN 0.459 nan 8.290 nan 0.000 0.537 80 E N 1.953 122.140 120.200 -0.022 0.000 2.492 80 E HA 0.215 4.565 4.350 -0.000 0.000 0.266 80 E C -1.602 175.002 176.600 0.007 0.000 1.047 80 E CA -0.330 56.070 56.400 -0.001 0.000 0.968 80 E CB 0.409 30.121 29.700 0.020 0.000 0.960 80 E HN 0.337 nan 8.360 nan 0.000 0.452 81 P HA -0.086 nan 4.420 nan 0.000 0.268 81 P C -0.806 176.505 177.300 0.017 0.000 1.204 81 P CA 0.093 63.198 63.100 0.008 0.000 0.768 81 P CB 0.573 32.276 31.700 0.004 0.000 0.842 82 Q N 1.419 121.230 119.800 0.019 0.000 2.308 82 Q HA 0.109 4.448 4.340 -0.000 0.000 0.313 82 Q C 0.492 176.506 176.000 0.024 0.000 1.075 82 Q CA 0.418 56.237 55.803 0.027 0.000 0.995 82 Q CB 0.079 28.831 28.738 0.023 0.000 1.107 82 Q HN 0.583 nan 8.270 nan 0.000 0.380 83 Q N 3.555 123.375 119.800 0.033 0.000 2.373 83 Q HA 0.082 4.422 4.340 -0.000 0.000 0.255 83 Q C -0.150 175.861 176.000 0.020 0.000 0.980 83 Q CA 0.161 55.980 55.803 0.026 0.000 0.882 83 Q CB 0.198 28.957 28.738 0.034 0.000 1.249 83 Q HN 0.904 nan 8.270 nan 0.000 0.438 84 N N 1.949 120.655 118.700 0.009 0.000 2.030 84 N HA -0.022 4.718 4.740 -0.000 0.000 0.292 84 N C -2.361 173.153 175.510 0.007 0.000 1.315 84 N CA -0.236 52.815 53.050 0.002 0.000 0.810 84 N CB 0.535 39.017 38.487 -0.009 0.000 1.048 84 N HN 0.479 nan 8.380 nan 0.000 0.492 85 P HA 0.169 nan 4.420 nan 0.000 0.256 85 P C -1.388 175.912 177.300 -0.001 0.000 1.688 85 P CA 0.303 63.403 63.100 -0.001 0.000 1.162 85 P CB 0.218 31.912 31.700 -0.011 0.000 1.870 86 D N 2.607 123.015 120.400 0.013 0.000 3.579 86 D HA -0.083 4.557 4.640 -0.000 0.000 0.236 86 D C 0.013 176.330 176.300 0.028 0.000 1.020 86 D CA 0.346 54.361 54.000 0.026 0.000 1.030 86 D CB -0.755 40.058 40.800 0.021 0.000 0.902 86 D HN 0.186 nan 8.370 nan 0.000 0.409 87 R N -0.556 119.961 120.500 0.029 0.000 2.585 87 R HA 0.079 4.419 4.340 -0.000 0.000 0.085 87 R C -2.577 173.734 176.300 0.018 0.000 0.570 87 R CA -0.391 55.718 56.100 0.015 0.000 0.785 87 R CB -0.066 30.213 30.300 -0.035 0.000 0.922 87 R HN 0.289 nan 8.270 nan 0.000 0.617 88 P HA 0.199 nan 4.420 nan 0.000 0.286 88 P C 0.080 177.379 177.300 -0.002 0.000 1.293 88 P CA -0.356 62.763 63.100 0.031 0.000 0.770 88 P CB 0.936 32.673 31.700 0.062 0.000 1.206 89 V N 1.609 121.493 119.914 -0.050 0.000 2.421 89 V HA 0.080 4.200 4.120 -0.000 0.000 0.271 89 V C -1.891 174.148 176.094 -0.092 0.000 1.031 89 V CA -1.001 61.179 62.300 -0.200 0.000 1.032 89 V CB -0.526 30.941 31.823 -0.593 0.000 1.009 89 V HN 0.535 nan 8.190 nan 0.000 0.477 90 P HA -0.039 nan 4.420 nan 0.000 0.262 90 P C -0.583 176.770 177.300 0.089 0.000 1.182 90 P CA 0.153 63.277 63.100 0.040 0.000 0.761 90 P CB 0.157 31.860 31.700 0.005 0.000 0.795 91 F N 5.252 125.221 119.950 0.031 0.000 2.413 91 F HA 0.276 4.803 4.527 -0.000 0.000 0.359 91 F C -0.099 175.745 175.800 0.073 0.000 1.122 91 F CA -0.579 57.467 58.000 0.076 0.000 1.160 91 F CB 0.200 39.252 39.000 0.087 0.000 1.146 91 F HN 0.110 nan 8.300 nan 0.000 0.514 92 I N 7.916 128.378 120.570 -0.180 0.000 2.342 92 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 92 I C 0.002 176.002 176.117 -0.194 0.000 1.010 92 I CA -0.588 60.667 61.300 -0.076 0.000 1.308 92 I CB 0.879 38.922 38.000 0.071 0.000 1.400 92 I HN 0.477 nan 8.210 nan 0.000 0.488 93 I N 4.859 125.346 120.570 -0.139 0.000 2.433 93 I HA 0.508 4.678 4.170 -0.000 0.000 0.292 93 I C 0.539 176.353 176.117 -0.504 0.000 1.001 93 I CA -0.529 60.659 61.300 -0.187 0.000 1.119 93 I CB 2.186 40.212 38.000 0.042 0.000 1.289 93 I HN 0.627 nan 8.210 nan 0.000 0.438 94 G N 4.938 113.212 108.800 -0.877 0.000 2.388 94 G HA2 0.610 4.570 3.960 -0.000 0.000 0.330 94 G HA3 0.610 4.570 3.960 -0.000 0.000 0.330 94 G C -0.985 173.709 174.900 -0.342 0.000 1.142 94 G CA -0.364 44.108 45.100 -1.047 0.000 0.908 94 G HN 0.343 nan 8.290 nan 0.000 0.473 95 V N 1.465 121.271 119.914 -0.181 0.000 2.419 95 V HA 0.669 4.789 4.120 -0.000 0.000 0.287 95 V C 0.341 176.402 176.094 -0.054 0.000 1.017 95 V CA -0.634 61.625 62.300 -0.068 0.000 0.844 95 V CB 0.693 32.499 31.823 -0.028 0.000 1.011 95 V HN 1.120 nan 8.190 nan 0.000 0.429 96 A N 3.404 126.183 122.820 -0.068 0.000 2.313 96 A HA 1.089 5.408 4.320 -0.000 0.000 0.323 96 A C 0.288 177.644 177.584 -0.380 0.000 1.133 96 A CA -0.145 51.815 52.037 -0.129 0.000 0.847 96 A CB 1.883 20.877 19.000 -0.011 0.000 1.308 96 A HN 1.798 nan 8.150 nan 0.000 0.475 97 G N -1.157 107.389 108.800 -0.425 0.000 2.353 97 G HA2 0.499 4.459 3.960 -0.000 0.000 0.308 97 G HA3 0.499 4.459 3.960 -0.000 0.000 0.308 97 G C -0.265 174.514 174.900 -0.203 0.000 1.418 97 G CA 0.087 44.856 45.100 -0.551 0.000 0.966 97 G HN 1.591 nan 8.290 nan 0.000 0.638 98 S N -1.356 114.277 115.700 -0.112 0.000 2.580 98 S HA 0.486 4.956 4.470 -0.000 0.000 0.266 98 S C 1.289 175.949 174.600 0.101 0.000 1.354 98 S CA 0.264 58.477 58.200 0.022 0.000 1.008 98 S CB 0.559 63.825 63.200 0.111 0.000 0.898 98 S HN 2.009 nan 8.310 nan 0.000 0.555 99 V N 1.470 121.477 119.914 0.154 0.000 3.096 99 V HA 0.594 4.714 4.120 -0.000 0.000 0.306 99 V C 1.212 177.503 176.094 0.329 0.000 1.088 99 V CA -0.026 62.413 62.300 0.232 0.000 1.129 99 V CB -0.363 31.630 31.823 0.282 0.000 1.014 99 V HN 2.143 nan 8.190 nan 0.000 0.486 100 A N 1.420 124.433 122.820 0.323 0.000 2.979 100 A HA -0.163 4.157 4.320 -0.000 0.000 0.260 100 A C 1.250 179.075 177.584 0.401 0.000 1.282 100 A CA 1.182 53.434 52.037 0.359 0.000 0.971 100 A CB -2.174 17.127 19.000 0.502 0.000 1.124 100 A HN 1.940 nan 8.150 nan 0.000 0.826 101 V N -1.223 118.881 119.914 0.317 0.000 3.506 101 V HA 0.453 4.573 4.120 -0.000 0.000 0.263 101 V C 1.789 178.035 176.094 0.253 0.000 1.203 101 V CA 2.202 64.728 62.300 0.376 0.000 1.133 101 V CB 0.186 32.140 31.823 0.218 0.000 0.802 101 V HN 2.404 nan 8.190 nan 0.000 0.459 102 G N 0.217 109.106 108.800 0.148 0.000 2.148 102 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.203 102 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.203 102 G C 0.737 175.673 174.900 0.059 0.000 0.993 102 G CA 0.434 45.578 45.100 0.073 0.000 0.661 102 G HN 0.456 nan 8.290 nan 0.000 0.518 103 K N 0.658 121.092 120.400 0.055 0.000 2.113 103 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 103 K C 2.618 179.242 176.600 0.040 0.000 1.047 103 K CA 1.672 57.981 56.287 0.036 0.000 0.928 103 K CB -0.236 32.275 32.500 0.017 0.000 0.716 103 K HN 0.371 nan 8.250 nan 0.000 0.446 104 S N 0.475 116.195 115.700 0.034 0.000 2.353 104 S HA -0.160 4.310 4.470 -0.000 0.000 0.222 104 S C 2.071 176.676 174.600 0.009 0.000 1.035 104 S CA 1.922 60.135 58.200 0.022 0.000 1.025 104 S CB -0.419 62.783 63.200 0.003 0.000 0.902 104 S HN 0.379 nan 8.310 nan 0.000 0.440 105 T N 1.728 116.279 114.554 -0.004 0.000 2.674 105 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 105 T C 2.109 176.808 174.700 -0.001 0.000 1.039 105 T CA 1.754 63.836 62.100 -0.030 0.000 1.150 105 T CB -0.863 67.972 68.868 -0.055 0.000 0.864 105 T HN 0.397 nan 8.240 nan 0.000 0.427 106 T N 1.930 116.530 114.554 0.077 0.000 2.665 106 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 106 T C 2.311 177.109 174.700 0.163 0.000 1.035 106 T CA 1.398 63.623 62.100 0.207 0.000 1.151 106 T CB -0.546 68.439 68.868 0.196 0.000 0.862 106 T HN 0.447 nan 8.240 nan 0.000 0.438 107 A N 1.163 124.035 122.820 0.086 0.000 1.929 107 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 107 A C 2.372 179.985 177.584 0.049 0.000 1.176 107 A CA 1.102 53.179 52.037 0.065 0.000 0.628 107 A CB -0.380 18.648 19.000 0.047 0.000 0.816 107 A HN 0.372 nan 8.150 nan 0.000 0.444 108 R N -0.667 119.849 120.500 0.026 0.000 2.092 108 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 108 R C 2.025 178.317 176.300 -0.013 0.000 1.119 108 R CA 1.362 57.465 56.100 0.006 0.000 0.970 108 R CB -0.411 29.882 30.300 -0.013 0.000 0.864 108 R HN 0.397 nan 8.270 nan 0.000 0.440 109 V N 1.327 121.214 119.914 -0.044 0.000 2.307 109 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 109 V C 2.195 178.284 176.094 -0.009 0.000 1.045 109 V CA 1.406 63.642 62.300 -0.108 0.000 1.024 109 V CB -0.433 31.174 31.823 -0.360 0.000 0.651 109 V HN 0.234 nan 8.190 nan 0.000 0.449 110 L N 0.147 121.421 121.223 0.086 0.000 2.042 110 L HA -0.225 4.114 4.340 -0.000 0.000 0.210 110 L C 2.513 179.408 176.870 0.042 0.000 1.076 110 L CA 2.292 57.192 54.840 0.100 0.000 0.749 110 L CB -0.883 41.238 42.059 0.103 0.000 0.893 110 L HN 0.423 nan 8.230 nan 0.000 0.432 111 Q N -0.867 118.957 119.800 0.041 0.000 2.096 111 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 111 Q C 2.101 178.127 176.000 0.045 0.000 0.982 111 Q CA 2.009 57.837 55.803 0.043 0.000 0.850 111 Q CB -0.204 28.560 28.738 0.043 0.000 0.901 111 Q HN 0.658 nan 8.270 nan 0.000 0.422 112 A N 0.867 123.705 122.820 0.030 0.000 1.877 112 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 112 A C 2.087 179.704 177.584 0.055 0.000 1.186 112 A CA 1.338 53.394 52.037 0.031 0.000 0.620 112 A CB -0.767 18.234 19.000 0.001 0.000 0.822 112 A HN 0.451 nan 8.150 nan 0.000 0.443 113 L N -0.534 120.717 121.223 0.048 0.000 2.017 113 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 113 L C 2.516 179.451 176.870 0.108 0.000 1.073 113 L CA 1.175 56.056 54.840 0.069 0.000 0.745 113 L CB -0.657 41.427 42.059 0.043 0.000 0.894 113 L HN 0.373 nan 8.230 nan 0.000 0.432 114 L N -0.422 120.842 121.223 0.068 0.000 2.201 114 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 114 L C 2.818 179.822 176.870 0.223 0.000 1.105 114 L CA 0.849 55.760 54.840 0.118 0.000 0.775 114 L CB -0.764 41.309 42.059 0.023 0.000 0.913 114 L HN 0.236 nan 8.230 nan 0.000 0.440 115 A N 0.250 123.172 122.820 0.170 0.000 1.968 115 A HA -0.101 4.218 4.320 -0.000 0.000 0.217 115 A C 1.916 179.652 177.584 0.254 0.000 1.169 115 A CA 0.831 52.975 52.037 0.180 0.000 0.638 115 A CB -0.281 18.782 19.000 0.104 0.000 0.812 115 A HN 0.319 nan 8.150 nan 0.000 0.446 116 R N -0.923 119.725 120.500 0.247 0.000 3.541 116 R HA 0.116 4.456 4.340 -0.000 0.000 0.277 116 R C -0.449 176.067 176.300 0.361 0.000 1.539 116 R CA -0.387 55.881 56.100 0.280 0.000 1.338 116 R CB -0.060 30.350 30.300 0.185 0.000 1.343 116 R HN 0.733 nan 8.270 nan 0.000 0.623 117 W N 1.277 122.626 121.300 0.081 0.000 2.576 117 W HA 0.195 4.855 4.660 -0.000 0.000 0.360 117 W C -0.584 175.810 176.519 -0.210 0.000 1.109 117 W CA -0.919 56.384 57.345 -0.070 0.000 1.237 117 W CB 1.183 30.582 29.460 -0.102 0.000 1.369 117 W HN 0.106 nan 8.180 nan 0.000 0.609 118 D N 3.078 122.774 120.400 -1.174 0.000 2.583 118 D HA -0.127 4.513 4.640 -0.000 0.000 0.232 118 D C 0.518 176.295 176.300 -0.872 0.000 1.128 118 D CA 1.634 54.900 54.000 -1.224 0.000 0.859 118 D CB 0.216 40.093 40.800 -1.538 0.000 1.169 118 D HN 0.478 nan 8.370 nan 0.000 0.481 119 H N 0.822 119.581 119.070 -0.518 0.000 3.415 119 H HA -0.187 4.369 4.556 -0.000 0.000 0.213 119 H C -0.182 175.042 175.328 -0.173 0.000 1.091 119 H CA 0.959 56.816 56.048 -0.317 0.000 1.182 119 H CB -1.963 27.685 29.762 -0.191 0.000 1.160 119 H HN 0.681 nan 8.280 nan 0.000 0.319 120 H N -1.350 117.736 119.070 0.026 0.000 2.630 120 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 120 H C -2.029 173.362 175.328 0.105 0.000 0.887 120 H CA 0.936 57.026 56.048 0.069 0.000 0.977 120 H CB -0.806 28.982 29.762 0.044 0.000 1.596 120 H HN 0.438 nan 8.280 nan 0.000 0.320 121 P HA 0.170 nan 4.420 nan 0.000 0.280 121 P C 0.308 177.705 177.300 0.162 0.000 1.244 121 P CA -0.522 62.694 63.100 0.194 0.000 0.784 121 P CB 1.040 32.867 31.700 0.212 0.000 0.913 122 R N 2.745 123.322 120.500 0.129 0.000 2.343 122 R HA 0.260 4.600 4.340 -0.000 0.000 0.326 122 R C -0.939 175.418 176.300 0.094 0.000 1.055 122 R CA -0.132 56.024 56.100 0.094 0.000 0.961 122 R CB -0.205 30.133 30.300 0.063 0.000 0.978 122 R HN 0.257 nan 8.270 nan 0.000 0.443 123 V N 5.636 125.604 119.914 0.091 0.000 2.313 123 V HA 0.200 4.320 4.120 -0.000 0.000 0.278 123 V C -0.254 175.888 176.094 0.079 0.000 1.017 123 V CA -0.752 61.603 62.300 0.091 0.000 0.823 123 V CB 1.252 33.131 31.823 0.093 0.000 1.010 123 V HN 0.785 nan 8.190 nan 0.000 0.443 124 D N 3.352 123.804 120.400 0.086 0.000 2.229 124 D HA 0.571 5.211 4.640 -0.000 0.000 0.249 124 D C -0.710 175.652 176.300 0.103 0.000 1.027 124 D CA -0.326 53.730 54.000 0.094 0.000 0.923 124 D CB 2.824 43.690 40.800 0.111 0.000 1.174 124 D HN 0.361 nan 8.370 nan 0.000 0.443 125 L N 1.755 123.041 121.223 0.104 0.000 2.406 125 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 125 L C -1.551 175.391 176.870 0.121 0.000 0.980 125 L CA -0.623 54.277 54.840 0.101 0.000 0.831 125 L CB 1.757 43.861 42.059 0.075 0.000 1.253 125 L HN 0.071 nan 8.230 nan 0.000 0.406 126 V N 3.601 123.603 119.914 0.147 0.000 2.483 126 V HA 0.578 4.698 4.120 -0.000 0.000 0.297 126 V C 0.091 176.274 176.094 0.148 0.000 1.027 126 V CA -0.337 62.059 62.300 0.159 0.000 0.855 126 V CB 2.131 34.100 31.823 0.244 0.000 0.995 126 V HN 0.880 nan 8.190 nan 0.000 0.424 127 T N 0.018 114.652 114.554 0.134 0.000 2.909 127 T HA 0.254 4.604 4.350 -0.000 0.000 0.286 127 T C 1.163 175.977 174.700 0.191 0.000 1.002 127 T CA 0.176 62.361 62.100 0.142 0.000 1.074 127 T CB 1.373 70.326 68.868 0.141 0.000 0.984 127 T HN 0.812 nan 8.240 nan 0.000 0.495 128 T N -1.587 113.084 114.554 0.195 0.000 3.118 128 T HA -0.051 4.299 4.350 -0.000 0.000 0.260 128 T C 1.293 176.213 174.700 0.366 0.000 1.139 128 T CA 0.569 62.842 62.100 0.288 0.000 1.085 128 T CB -0.490 68.421 68.868 0.073 0.000 0.934 128 T HN 0.769 nan 8.240 nan 0.000 0.518 129 D N 1.979 122.501 120.400 0.203 0.000 2.263 129 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 129 D C 2.036 178.293 176.300 -0.072 0.000 0.971 129 D CA 0.900 54.884 54.000 -0.027 0.000 0.867 129 D CB -1.099 39.592 40.800 -0.182 0.000 0.929 129 D HN 0.520 nan 8.370 nan 0.000 0.492 130 G N -1.162 107.646 108.800 0.014 0.000 2.679 130 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.212 130 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.212 130 G C 0.622 175.274 174.900 -0.414 0.000 1.137 130 G CA -0.103 44.894 45.100 -0.172 0.000 0.787 130 G HN 0.267 nan 8.290 nan 0.000 0.534 131 F N 0.109 120.053 119.950 -0.010 0.000 2.654 131 F HA 0.455 4.982 4.527 0.000 0.000 0.303 131 F C 0.955 176.701 175.800 -0.090 0.000 1.099 131 F CA -0.710 57.275 58.000 -0.025 0.000 1.270 131 F CB 0.321 39.332 39.000 0.017 0.000 1.024 131 F HN -0.128 nan 8.300 nan 0.000 0.548 132 L N -0.009 121.159 121.223 -0.092 0.000 2.452 132 L HA 0.070 4.409 4.340 -0.000 0.000 0.267 132 L C -0.033 176.706 176.870 -0.217 0.000 1.188 132 L CA -0.438 54.177 54.840 -0.374 0.000 0.821 132 L CB 0.306 42.047 42.059 -0.530 0.000 1.102 132 L HN 0.005 nan 8.230 nan 0.000 0.470 133 Y N 1.913 122.137 120.300 -0.126 0.000 2.379 133 Y HA 0.157 4.707 4.550 -0.000 0.000 0.337 133 Y C -1.779 174.074 175.900 -0.078 0.000 1.238 133 Y CA -1.919 56.142 58.100 -0.064 0.000 1.405 133 Y CB -0.212 38.216 38.460 -0.053 0.000 1.310 133 Y HN 0.381 nan 8.280 nan 0.000 0.569 134 P HA 0.070 nan 4.420 nan 0.000 0.272 134 P C 0.114 177.419 177.300 0.008 0.000 1.223 134 P CA -0.071 63.055 63.100 0.044 0.000 0.784 134 P CB 0.749 32.468 31.700 0.032 0.000 0.923 135 N N 1.473 120.151 118.700 -0.036 0.000 2.060 135 N HA -0.233 4.507 4.740 -0.000 0.000 0.195 135 N C 1.748 177.232 175.510 -0.044 0.000 1.028 135 N CA 2.110 55.123 53.050 -0.060 0.000 0.861 135 N CB -1.230 37.213 38.487 -0.073 0.000 1.029 135 N HN 0.438 nan 8.380 nan 0.000 0.428 136 A N 0.678 123.478 122.820 -0.034 0.000 1.917 136 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 136 A C 2.244 179.800 177.584 -0.047 0.000 1.182 136 A CA 2.024 54.040 52.037 -0.034 0.000 0.633 136 A CB -0.609 18.376 19.000 -0.026 0.000 0.819 136 A HN 0.354 nan 8.150 nan 0.000 0.448 137 E N 0.061 120.233 120.200 -0.047 0.000 2.107 137 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 137 E C 1.827 178.349 176.600 -0.129 0.000 0.982 137 E CA 1.027 57.367 56.400 -0.100 0.000 0.809 137 E CB -0.397 29.243 29.700 -0.100 0.000 0.756 137 E HN 0.601 nan 8.360 nan 0.000 0.459 138 L N 0.193 121.373 121.223 -0.072 0.000 2.046 138 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 138 L C 2.653 179.475 176.870 -0.080 0.000 1.077 138 L CA 1.531 56.329 54.840 -0.069 0.000 0.747 138 L CB -0.482 41.546 42.059 -0.053 0.000 0.896 138 L HN 0.215 nan 8.230 nan 0.000 0.432 139 Q N -0.611 119.147 119.800 -0.071 0.000 2.061 139 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 139 Q C 2.390 178.354 176.000 -0.060 0.000 0.984 139 Q CA 1.227 56.993 55.803 -0.061 0.000 0.846 139 Q CB -0.245 28.465 28.738 -0.046 0.000 0.902 139 Q HN 0.296 nan 8.270 nan 0.000 0.421 140 R N 1.095 121.553 120.500 -0.069 0.000 2.103 140 R HA -0.134 4.206 4.340 -0.000 0.000 0.242 140 R C 1.686 177.939 176.300 -0.079 0.000 1.142 140 R CA 1.543 57.600 56.100 -0.072 0.000 0.960 140 R CB -0.034 30.214 30.300 -0.087 0.000 0.858 140 R HN 0.242 nan 8.270 nan 0.000 0.439 141 R N -0.080 120.359 120.500 -0.102 0.000 2.310 141 R HA 0.060 4.400 4.340 -0.000 0.000 0.202 141 R C 0.114 176.374 176.300 -0.067 0.000 0.933 141 R CA 0.142 56.184 56.100 -0.096 0.000 1.054 141 R CB -0.110 30.109 30.300 -0.136 0.000 0.985 141 R HN 0.240 nan 8.270 nan 0.000 0.489 142 N N 0.227 118.892 118.700 -0.059 0.000 2.754 142 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 142 N C -0.336 175.144 175.510 -0.051 0.000 1.093 142 N CA 0.464 53.488 53.050 -0.044 0.000 0.699 142 N CB -0.915 37.554 38.487 -0.030 0.000 1.016 142 N HN 0.251 nan 8.380 nan 0.000 0.552 143 L N -0.882 120.301 121.223 -0.065 0.000 2.857 143 L HA 0.247 4.587 4.340 -0.000 0.000 0.249 143 L C 1.479 178.300 176.870 -0.082 0.000 1.172 143 L CA -0.423 54.377 54.840 -0.067 0.000 0.980 143 L CB -0.005 42.029 42.059 -0.041 0.000 1.299 143 L HN 0.258 nan 8.230 nan 0.000 0.535 144 M N -0.378 119.141 119.600 -0.134 0.000 2.435 144 M HA -0.108 4.371 4.480 -0.000 0.000 0.262 144 M C 1.069 177.198 176.300 -0.285 0.000 1.065 144 M CA 1.467 56.639 55.300 -0.215 0.000 1.076 144 M CB -0.716 31.709 32.600 -0.291 0.000 1.403 144 M HN 0.294 nan 8.290 nan 0.000 0.454 145 H N -0.483 118.611 119.070 0.041 0.000 2.472 145 H HA 0.345 4.901 4.556 -0.000 0.000 0.287 145 H C 0.373 175.696 175.328 -0.009 0.000 1.112 145 H CA 0.032 56.114 56.048 0.057 0.000 1.021 145 H CB 0.468 30.248 29.762 0.030 0.000 1.635 145 H HN 0.197 nan 8.280 nan 0.000 0.559 146 R N 0.567 121.094 120.500 0.044 0.000 2.563 146 R HA 0.132 4.472 4.340 -0.000 0.000 0.443 146 R C -0.004 176.429 176.300 0.222 0.000 0.956 146 R CA -0.281 55.802 56.100 -0.030 0.000 1.141 146 R CB 1.067 31.147 30.300 -0.366 0.000 1.553 146 R HN 0.054 nan 8.270 nan 0.000 0.577 147 K N 0.864 121.358 120.400 0.158 0.000 2.436 147 K HA 0.160 4.480 4.320 -0.000 0.000 0.282 147 K C 0.960 177.640 176.600 0.133 0.000 1.044 147 K CA 1.212 57.525 56.287 0.043 0.000 1.028 147 K CB 0.493 32.988 32.500 -0.009 0.000 0.919 147 K HN 0.463 nan 8.250 nan 0.000 0.474 148 G N 3.402 112.228 108.800 0.043 0.000 2.352 148 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.204 148 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.204 148 G C -0.143 174.925 174.900 0.281 0.000 1.004 148 G CA -0.732 44.472 45.100 0.175 0.000 0.648 148 G HN 0.452 nan 8.290 nan 0.000 0.491 149 F N 1.823 121.852 119.950 0.132 0.000 2.450 149 F HA 0.444 4.971 4.527 -0.000 0.000 0.339 149 F C -0.320 175.633 175.800 0.255 0.000 1.146 149 F CA -1.066 57.019 58.000 0.142 0.000 1.267 149 F CB 0.717 39.764 39.000 0.077 0.000 1.178 149 F HN -0.133 nan 8.300 nan 0.000 0.585 150 P HA -0.243 nan 4.420 nan 0.000 0.216 150 P C 1.344 178.843 177.300 0.332 0.000 1.157 150 P CA 1.996 65.265 63.100 0.281 0.000 0.880 150 P CB -0.053 31.735 31.700 0.148 0.000 0.791 151 E N 0.011 120.382 120.200 0.285 0.000 2.409 151 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 151 E C 1.327 178.097 176.600 0.284 0.000 1.024 151 E CA 1.480 58.027 56.400 0.245 0.000 0.861 151 E CB -0.955 28.845 29.700 0.166 0.000 0.788 151 E HN 0.338 nan 8.360 nan 0.000 0.521 152 S N -0.823 115.020 115.700 0.238 0.000 2.593 152 S HA 0.050 4.520 4.470 -0.000 0.000 0.217 152 S C 0.120 174.644 174.600 -0.126 0.000 0.966 152 S CA -0.526 57.732 58.200 0.097 0.000 0.914 152 S CB -0.487 62.668 63.200 -0.075 0.000 0.776 152 S HN 0.180 nan 8.310 nan 0.000 0.523 153 Y N 1.594 121.860 120.300 -0.055 0.000 2.457 153 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 153 Y C 0.415 175.920 175.900 -0.659 0.000 1.119 153 Y CA -1.567 56.343 58.100 -0.317 0.000 1.143 153 Y CB 0.668 39.051 38.460 -0.127 0.000 1.230 153 Y HN 0.041 nan 8.280 nan 0.000 0.469 154 N N 2.817 121.123 118.700 -0.656 0.000 2.663 154 N HA 0.022 4.762 4.740 -0.000 0.000 0.250 154 N C 1.160 176.627 175.510 -0.073 0.000 1.129 154 N CA 0.111 52.873 53.050 -0.481 0.000 0.995 154 N CB 0.091 38.410 38.487 -0.281 0.000 1.324 154 N HN 0.778 nan 8.380 nan 0.000 0.512 155 R N 2.771 123.256 120.500 -0.025 0.000 2.120 155 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 155 R C 1.364 177.638 176.300 -0.043 0.000 1.123 155 R CA 1.213 57.290 56.100 -0.039 0.000 0.975 155 R CB 0.220 30.514 30.300 -0.009 0.000 0.866 155 R HN 0.447 nan 8.270 nan 0.000 0.446 156 R N -0.245 120.262 120.500 0.013 0.000 2.075 156 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 156 R C 2.351 178.669 176.300 0.031 0.000 1.126 156 R CA 1.277 57.390 56.100 0.021 0.000 0.963 156 R CB -0.265 30.067 30.300 0.054 0.000 0.858 156 R HN 0.237 nan 8.270 nan 0.000 0.435 157 A N 1.268 124.135 122.820 0.078 0.000 1.933 157 A HA -0.147 4.172 4.320 -0.000 0.000 0.218 157 A C 2.054 179.687 177.584 0.082 0.000 1.175 157 A CA 1.013 53.151 52.037 0.168 0.000 0.628 157 A CB -0.397 18.773 19.000 0.284 0.000 0.814 157 A HN 0.238 nan 8.150 nan 0.000 0.444 158 L N -1.116 119.969 121.223 -0.230 0.000 2.005 158 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 158 L C 2.362 179.035 176.870 -0.328 0.000 1.072 158 L CA 2.779 57.130 54.840 -0.815 0.000 0.744 158 L CB -0.611 41.002 42.059 -0.743 0.000 0.895 158 L HN 0.396 nan 8.230 nan 0.000 0.433 159 M N -0.473 119.019 119.600 -0.181 0.000 2.213 159 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 159 M C 2.419 178.687 176.300 -0.053 0.000 1.062 159 M CA 1.634 56.867 55.300 -0.111 0.000 1.105 159 M CB -0.503 32.042 32.600 -0.091 0.000 1.385 159 M HN 0.241 nan 8.290 nan 0.000 0.417 160 R N -1.348 119.148 120.500 -0.006 0.000 2.075 160 R HA -0.138 4.201 4.340 -0.000 0.000 0.232 160 R C 2.058 178.397 176.300 0.065 0.000 1.126 160 R CA 1.800 57.921 56.100 0.035 0.000 0.963 160 R CB -0.541 29.804 30.300 0.076 0.000 0.858 160 R HN 0.478 nan 8.270 nan 0.000 0.435 161 F N 0.270 120.205 119.950 -0.026 0.000 2.102 161 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 161 F C 1.773 177.570 175.800 -0.005 0.000 1.105 161 F CA 1.422 59.439 58.000 0.028 0.000 1.239 161 F CB -0.381 38.699 39.000 0.133 0.000 0.991 161 F HN -0.217 nan 8.300 nan 0.000 0.474 162 V N -0.188 119.651 119.914 -0.125 0.000 2.427 162 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 162 V C 2.310 178.291 176.094 -0.188 0.000 1.051 162 V CA 2.290 64.471 62.300 -0.198 0.000 1.048 162 V CB -1.193 30.616 31.823 -0.025 0.000 0.666 162 V HN 0.430 nan 8.190 nan 0.000 0.456 163 T N -0.623 113.853 114.554 -0.129 0.000 2.746 163 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 163 T C 2.159 176.783 174.700 -0.127 0.000 1.039 163 T CA 1.835 63.872 62.100 -0.105 0.000 1.142 163 T CB -0.288 68.538 68.868 -0.069 0.000 0.866 163 T HN 0.516 nan 8.240 nan 0.000 0.444 164 S N 0.541 116.148 115.700 -0.155 0.000 2.353 164 S HA -0.136 4.334 4.470 -0.000 0.000 0.222 164 S C 2.175 176.659 174.600 -0.193 0.000 1.035 164 S CA 1.545 59.647 58.200 -0.163 0.000 1.025 164 S CB -0.593 62.504 63.200 -0.172 0.000 0.902 164 S HN 0.296 nan 8.310 nan 0.000 0.440 165 V N 1.829 121.565 119.914 -0.296 0.000 2.295 165 V HA -0.148 3.971 4.120 -0.000 0.000 0.246 165 V C 2.574 178.578 176.094 -0.151 0.000 1.049 165 V CA 2.293 64.444 62.300 -0.249 0.000 1.024 165 V CB -0.692 30.907 31.823 -0.372 0.000 0.648 165 V HN 0.508 nan 8.190 nan 0.000 0.447 166 K N 0.624 120.933 120.400 -0.151 0.000 2.211 166 K HA -0.127 4.193 4.320 -0.000 0.000 0.203 166 K C 2.097 178.609 176.600 -0.145 0.000 1.050 166 K CA 1.322 57.526 56.287 -0.139 0.000 0.945 166 K CB -0.165 32.258 32.500 -0.127 0.000 0.732 166 K HN 0.620 nan 8.250 nan 0.000 0.451 167 S N -0.981 114.649 115.700 -0.116 0.000 2.607 167 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 167 S C 1.151 175.706 174.600 -0.075 0.000 0.969 167 S CA 0.485 58.630 58.200 -0.091 0.000 0.927 167 S CB 0.109 63.266 63.200 -0.071 0.000 0.772 167 S HN 0.481 nan 8.310 nan 0.000 0.533 168 G N 1.346 110.103 108.800 -0.072 0.000 2.141 168 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.231 168 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.231 168 G C 0.139 175.029 174.900 -0.016 0.000 0.984 168 G CA 0.094 45.172 45.100 -0.037 0.000 0.660 168 G HN 1.423 nan 8.290 nan 0.000 0.525 169 S N -0.293 115.385 115.700 -0.037 0.000 2.566 169 S HA 0.320 4.789 4.470 -0.000 0.000 0.280 169 S C 1.008 175.644 174.600 0.060 0.000 1.343 169 S CA 0.591 58.770 58.200 -0.035 0.000 1.036 169 S CB 1.240 64.372 63.200 -0.113 0.000 0.866 169 S HN 0.144 nan 8.310 nan 0.000 0.526 170 D N 0.439 120.910 120.400 0.118 0.000 2.194 170 D HA 0.101 4.741 4.640 -0.000 0.000 0.204 170 D C 0.158 176.727 176.300 0.448 0.000 0.964 170 D CA 1.392 55.587 54.000 0.325 0.000 0.846 170 D CB -0.113 40.878 40.800 0.320 0.000 0.962 170 D HN 0.818 nan 8.370 nan 0.000 0.490 171 Y N -1.496 118.872 120.300 0.114 0.000 2.521 171 Y HA 0.644 5.193 4.550 -0.000 0.000 0.332 171 Y C -1.598 174.354 175.900 0.087 0.000 1.121 171 Y CA -1.887 56.268 58.100 0.092 0.000 1.037 171 Y CB 0.935 39.450 38.460 0.092 0.000 1.330 171 Y HN -0.124 nan 8.280 nan 0.000 0.452 172 A N 1.509 124.394 122.820 0.109 0.000 2.475 172 A HA 0.858 5.178 4.320 -0.000 0.000 0.301 172 A C -1.510 176.331 177.584 0.427 0.000 1.059 172 A CA -0.697 51.415 52.037 0.125 0.000 0.710 172 A CB 1.039 19.996 19.000 -0.072 0.000 1.288 172 A HN 1.066 nan 8.150 nan 0.000 0.408 173 C N 0.974 120.532 119.300 0.430 0.000 2.507 173 C HA 0.941 5.401 4.460 -0.000 0.000 0.319 173 C C 0.595 175.654 174.990 0.115 0.000 1.208 173 C CA -0.338 58.857 59.018 0.295 0.000 1.619 173 C CB 0.875 28.728 27.740 0.189 0.000 2.230 173 C HN 1.214 nan 8.230 nan 0.000 0.492 174 A N 3.130 125.834 122.820 -0.192 0.000 2.374 174 A HA 0.948 5.267 4.320 -0.000 0.000 0.317 174 A C -2.931 174.380 177.584 -0.455 0.000 1.094 174 A CA -1.308 50.386 52.037 -0.572 0.000 0.765 174 A CB 0.866 19.347 19.000 -0.866 0.000 1.268 174 A HN 0.633 nan 8.150 nan 0.000 0.438 175 P HA 0.454 nan 4.420 nan 0.000 0.275 175 P C -0.902 176.220 177.300 -0.296 0.000 1.266 175 P CA -0.341 62.547 63.100 -0.355 0.000 0.793 175 P CB 0.692 32.184 31.700 -0.347 0.000 1.074 176 V N 0.270 120.095 119.914 -0.148 0.000 2.656 176 V HA 0.324 4.444 4.120 -0.000 0.000 0.307 176 V C -0.971 175.127 176.094 0.008 0.000 1.051 176 V CA -0.589 61.672 62.300 -0.065 0.000 0.893 176 V CB 1.469 33.269 31.823 -0.037 0.000 0.999 176 V HN 0.391 nan 8.190 nan 0.000 0.426 177 Y N 2.748 122.998 120.300 -0.083 0.000 2.341 177 Y HA 0.605 5.155 4.550 0.000 0.000 0.337 177 Y C 0.433 176.315 175.900 -0.030 0.000 1.014 177 Y CA -0.211 57.839 58.100 -0.083 0.000 1.111 177 Y CB 1.889 40.278 38.460 -0.118 0.000 1.194 177 Y HN 0.654 nan 8.280 nan 0.000 0.462 178 S N 4.162 119.482 115.700 -0.633 0.000 2.429 178 S HA 0.223 4.693 4.470 -0.000 0.000 0.302 178 S C 0.128 174.393 174.600 -0.558 0.000 1.115 178 S CA -0.361 57.618 58.200 -0.369 0.000 1.095 178 S CB 0.308 63.443 63.200 -0.108 0.000 0.987 178 S HN 0.934 nan 8.310 nan 0.000 0.474 179 H N 3.306 122.299 119.070 -0.128 0.000 2.535 179 H HA 0.151 4.707 4.556 -0.000 0.000 0.273 179 H C 1.501 176.881 175.328 0.087 0.000 0.983 179 H CA 0.967 57.063 56.048 0.080 0.000 1.238 179 H CB 0.272 30.135 29.762 0.168 0.000 1.412 179 H HN 0.522 nan 8.280 nan 0.000 0.562 180 L N -0.198 121.047 121.223 0.036 0.000 2.095 180 L HA -0.095 4.245 4.340 -0.000 0.000 0.204 180 L C 1.390 178.163 176.870 -0.162 0.000 1.080 180 L CA 1.841 56.625 54.840 -0.095 0.000 0.759 180 L CB -0.272 41.600 42.059 -0.312 0.000 0.914 180 L HN 0.355 nan 8.230 nan 0.000 0.439 181 H N -2.085 117.023 119.070 0.064 0.000 2.553 181 H HA 0.035 4.591 4.556 -0.000 0.000 0.265 181 H C 0.118 175.451 175.328 0.009 0.000 0.964 181 H CA 0.460 56.534 56.048 0.044 0.000 1.156 181 H CB -0.113 29.627 29.762 -0.036 0.000 1.411 181 H HN 0.421 nan 8.280 nan 0.000 0.558 182 Y N 1.594 121.814 120.300 -0.132 0.000 3.929 182 Y HA -0.311 4.239 4.550 -0.000 0.000 0.225 182 Y C -0.885 174.901 175.900 -0.189 0.000 1.200 182 Y CA 0.854 58.891 58.100 -0.105 0.000 1.791 182 Y CB -1.212 37.265 38.460 0.027 0.000 1.561 182 Y HN 0.333 nan 8.280 nan 0.000 0.657 183 D N -0.948 119.145 120.400 -0.512 0.000 2.713 183 D HA 0.398 5.038 4.640 -0.000 0.000 0.306 183 D C -0.696 175.407 176.300 -0.327 0.000 1.299 183 D CA -0.375 53.454 54.000 -0.284 0.000 0.823 183 D CB 0.883 41.594 40.800 -0.147 0.000 1.353 183 D HN -0.042 nan 8.370 nan 0.000 0.447 184 I N 1.703 122.240 120.570 -0.056 0.000 2.529 184 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 184 I C 0.534 176.607 176.117 -0.073 0.000 1.082 184 I CA -0.166 61.122 61.300 -0.021 0.000 1.406 184 I CB 0.313 38.321 38.000 0.013 0.000 1.405 184 I HN 0.340 nan 8.210 nan 0.000 0.548 185 I N 7.926 128.454 120.570 -0.070 0.000 2.379 185 I HA 0.139 4.309 4.170 -0.000 0.000 0.290 185 I C -1.963 174.122 176.117 -0.053 0.000 1.063 185 I CA -1.572 59.691 61.300 -0.063 0.000 1.351 185 I CB 0.229 38.205 38.000 -0.041 0.000 1.410 185 I HN 0.272 nan 8.210 nan 0.000 0.505 186 P HA 0.042 nan 4.420 nan 0.000 0.263 186 P C 0.923 178.203 177.300 -0.033 0.000 1.195 186 P CA 0.614 63.688 63.100 -0.043 0.000 0.762 186 P CB 0.649 32.320 31.700 -0.048 0.000 0.799 187 G N 2.287 111.072 108.800 -0.025 0.000 2.212 187 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.266 187 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.266 187 G C 0.492 175.382 174.900 -0.016 0.000 0.978 187 G CA 0.097 45.187 45.100 -0.016 0.000 0.632 187 G HN 0.871 nan 8.290 nan 0.000 0.537 188 A N 0.345 123.149 122.820 -0.025 0.000 2.388 188 A HA 0.667 4.987 4.320 -0.000 0.000 0.257 188 A C 0.379 177.942 177.584 -0.034 0.000 1.095 188 A CA 0.839 52.862 52.037 -0.024 0.000 0.791 188 A CB 0.300 19.285 19.000 -0.025 0.000 1.029 188 A HN 1.326 nan 8.150 nan 0.000 0.489 189 E N 1.158 121.345 120.200 -0.022 0.000 2.366 189 E HA 0.486 4.835 4.350 -0.000 0.000 0.278 189 E C -1.182 175.413 176.600 -0.009 0.000 0.923 189 E CA -0.837 55.547 56.400 -0.028 0.000 0.761 189 E CB 1.160 30.863 29.700 0.006 0.000 1.231 189 E HN 0.575 nan 8.360 nan 0.000 0.443 190 Q N 2.173 121.959 119.800 -0.023 0.000 2.333 190 Q HA 0.399 4.739 4.340 -0.000 0.000 0.265 190 Q C -1.377 174.674 176.000 0.085 0.000 0.989 190 Q CA -0.849 54.964 55.803 0.017 0.000 0.842 190 Q CB 1.830 30.561 28.738 -0.012 0.000 1.262 190 Q HN 0.530 nan 8.270 nan 0.000 0.451 191 V N 4.394 124.377 119.914 0.115 0.000 2.407 191 V HA 0.367 4.487 4.120 -0.000 0.000 0.278 191 V C -0.216 175.989 176.094 0.184 0.000 1.037 191 V CA -0.651 61.756 62.300 0.179 0.000 0.900 191 V CB 1.470 33.380 31.823 0.146 0.000 0.983 191 V HN 0.554 nan 8.190 nan 0.000 0.459 192 V N 6.307 126.373 119.914 0.252 0.000 2.417 192 V HA 0.504 4.623 4.120 -0.000 0.000 0.291 192 V C 0.053 176.213 176.094 0.109 0.000 1.024 192 V CA -0.711 61.701 62.300 0.187 0.000 0.861 192 V CB 1.716 33.710 31.823 0.286 0.000 0.985 192 V HN 0.839 nan 8.190 nan 0.000 0.436 193 R N 4.875 125.365 120.500 -0.018 0.000 2.310 193 R HA 0.364 4.704 4.340 -0.000 0.000 0.316 193 R C 0.112 176.074 176.300 -0.564 0.000 1.004 193 R CA -0.647 55.349 56.100 -0.173 0.000 0.900 193 R CB 0.529 30.691 30.300 -0.229 0.000 1.152 193 R HN 1.061 nan 8.270 nan 0.000 0.513 194 H N 0.376 119.483 119.070 0.062 0.000 2.166 194 H HA -0.115 4.441 4.556 -0.000 0.000 0.323 194 H C -2.390 172.967 175.328 0.048 0.000 0.936 194 H CA -0.419 55.651 56.048 0.037 0.000 1.073 194 H CB -1.353 28.432 29.762 0.039 0.000 1.592 194 H HN 0.391 nan 8.280 nan 0.000 0.346 195 P HA 0.109 nan 4.420 nan 0.000 0.276 195 P C 0.570 177.926 177.300 0.092 0.000 1.261 195 P CA -0.406 62.715 63.100 0.035 0.000 0.800 195 P CB 1.277 33.000 31.700 0.039 0.000 1.066 196 D N -0.222 120.243 120.400 0.109 0.000 2.183 196 D HA 0.120 4.760 4.640 -0.000 0.000 0.205 196 D C 0.681 177.073 176.300 0.153 0.000 0.962 196 D CA 1.310 55.387 54.000 0.128 0.000 0.849 196 D CB 0.377 41.256 40.800 0.131 0.000 0.978 196 D HN 0.345 nan 8.370 nan 0.000 0.488 197 I N 1.039 121.696 120.570 0.146 0.000 2.569 197 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 197 I C -1.341 174.858 176.117 0.137 0.000 1.088 197 I CA -0.991 60.418 61.300 0.182 0.000 1.047 197 I CB 2.970 41.070 38.000 0.168 0.000 1.237 197 I HN -0.223 nan 8.210 nan 0.000 0.421 198 L N 7.888 129.191 121.223 0.133 0.000 2.349 198 L HA 0.623 4.963 4.340 -0.000 0.000 0.278 198 L C -1.118 175.805 176.870 0.088 0.000 0.996 198 L CA -0.123 54.781 54.840 0.107 0.000 0.825 198 L CB 1.369 43.481 42.059 0.088 0.000 1.243 198 L HN 0.403 nan 8.230 nan 0.000 0.412 199 I N 5.884 126.503 120.570 0.082 0.000 2.321 199 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 199 I C -0.861 175.285 176.117 0.048 0.000 0.998 199 I CA -0.660 60.661 61.300 0.036 0.000 1.227 199 I CB 1.626 39.652 38.000 0.042 0.000 1.368 199 I HN 0.474 nan 8.210 nan 0.000 0.466 200 L N 7.698 128.911 121.223 -0.016 0.000 2.276 200 L HA 0.398 4.738 4.340 -0.000 0.000 0.286 200 L C -0.183 176.682 176.870 -0.007 0.000 1.024 200 L CA 0.117 54.984 54.840 0.046 0.000 0.826 200 L CB 0.973 43.103 42.059 0.118 0.000 1.211 200 L HN 0.562 nan 8.230 nan 0.000 0.422 201 E N 4.001 124.226 120.200 0.043 0.000 2.166 201 E HA 0.735 5.085 4.350 -0.000 0.000 0.275 201 E C -0.830 175.800 176.600 0.050 0.000 0.941 201 E CA -0.556 55.862 56.400 0.030 0.000 0.784 201 E CB 1.557 31.283 29.700 0.043 0.000 1.115 201 E HN 0.823 nan 8.360 nan 0.000 0.399 202 G N 2.757 111.572 108.800 0.026 0.000 2.387 202 G HA2 0.113 4.073 3.960 -0.000 0.000 0.294 202 G HA3 0.113 4.073 3.960 -0.000 0.000 0.294 202 G C 0.395 175.289 174.900 -0.011 0.000 1.509 202 G CA -0.718 44.396 45.100 0.023 0.000 0.806 202 G HN 0.550 nan 8.290 nan 0.000 0.546 203 L N -0.051 121.172 121.223 0.001 0.000 1.990 203 L HA -0.085 4.255 4.340 -0.000 0.000 0.213 203 L C 1.671 178.510 176.870 -0.052 0.000 1.072 203 L CA 1.206 56.033 54.840 -0.022 0.000 0.755 203 L CB -0.110 41.960 42.059 0.018 0.000 0.889 203 L HN 0.451 nan 8.230 nan 0.000 0.432 204 N N -0.233 118.410 118.700 -0.096 0.000 2.389 204 N HA 0.071 4.811 4.740 -0.000 0.000 0.260 204 N C 1.370 176.835 175.510 -0.075 0.000 1.191 204 N CA 0.226 53.224 53.050 -0.087 0.000 0.885 204 N CB 0.965 39.379 38.487 -0.121 0.000 1.162 204 N HN 0.217 nan 8.380 nan 0.000 0.512 205 V N -1.896 118.012 119.914 -0.010 0.000 2.720 205 V HA -0.069 4.050 4.120 -0.000 0.000 0.256 205 V C 1.619 177.818 176.094 0.176 0.000 1.082 205 V CA 1.272 63.636 62.300 0.108 0.000 1.101 205 V CB -0.613 31.360 31.823 0.250 0.000 0.693 205 V HN 0.228 nan 8.190 nan 0.000 0.479 206 L N -0.081 121.235 121.223 0.155 0.000 2.612 206 L HA 0.180 4.520 4.340 -0.000 0.000 0.230 206 L C 1.284 178.163 176.870 0.016 0.000 1.140 206 L CA 0.135 55.054 54.840 0.131 0.000 0.896 206 L CB -0.308 41.858 42.059 0.177 0.000 1.065 206 L HN 0.450 nan 8.230 nan 0.000 0.447 207 Q N 0.794 120.579 119.800 -0.025 0.000 2.392 207 Q HA 0.107 4.447 4.340 -0.000 0.000 0.262 207 Q C 0.325 176.280 176.000 -0.075 0.000 1.003 207 Q CA 0.384 56.160 55.803 -0.045 0.000 0.888 207 Q CB 1.058 29.764 28.738 -0.052 0.000 1.260 207 Q HN 0.226 nan 8.270 nan 0.000 0.435 208 T N -1.587 112.933 114.554 -0.056 0.000 2.940 208 T HA 0.886 5.236 4.350 -0.000 0.000 0.288 208 T C 0.075 174.746 174.700 -0.048 0.000 1.045 208 T CA -0.366 61.696 62.100 -0.064 0.000 1.018 208 T CB 2.091 70.927 68.868 -0.052 0.000 1.151 208 T HN 0.731 nan 8.240 nan 0.000 0.529 209 G N -0.059 108.713 108.800 -0.046 0.000 2.489 209 G HA2 0.574 4.534 3.960 -0.000 0.000 0.305 209 G HA3 0.574 4.534 3.960 -0.000 0.000 0.305 209 G C -2.379 172.503 174.900 -0.029 0.000 1.311 209 G CA -0.795 44.286 45.100 -0.031 0.000 0.813 209 G HN 0.598 nan 8.290 nan 0.000 0.480 210 P HA 0.178 nan 4.420 nan 0.000 0.249 210 P C 0.273 177.562 177.300 -0.018 0.000 1.241 210 P CA 0.803 63.894 63.100 -0.016 0.000 0.781 210 P CB 0.469 32.164 31.700 -0.008 0.000 1.088 211 T N -0.306 114.232 114.554 -0.026 0.000 2.883 211 T HA 0.402 4.752 4.350 -0.000 0.000 0.301 211 T C -1.185 173.488 174.700 -0.046 0.000 1.158 211 T CA -0.741 61.341 62.100 -0.029 0.000 1.007 211 T CB 1.164 70.019 68.868 -0.022 0.000 1.186 211 T HN -0.175 nan 8.240 nan 0.000 0.499 212 L N 3.708 124.901 121.223 -0.049 0.000 2.455 212 L HA 0.523 4.862 4.340 -0.000 0.000 0.272 212 L C -0.261 176.554 176.870 -0.091 0.000 1.174 212 L CA 0.877 55.676 54.840 -0.068 0.000 0.869 212 L CB -0.024 42.000 42.059 -0.058 0.000 1.130 212 L HN 0.704 nan 8.230 nan 0.000 0.474 213 M N 3.434 122.956 119.600 -0.130 0.000 2.727 213 M HA 0.274 4.753 4.480 -0.000 0.000 0.300 213 M C 1.191 177.335 176.300 -0.261 0.000 1.246 213 M CA -0.794 54.403 55.300 -0.171 0.000 0.835 213 M CB 1.783 34.284 32.600 -0.164 0.000 1.755 213 M HN 0.472 nan 8.290 nan 0.000 0.473 214 V N -1.572 118.158 119.914 -0.305 0.000 2.453 214 V HA -0.220 3.900 4.120 -0.000 0.000 0.252 214 V C 1.981 177.476 176.094 -0.997 0.000 1.068 214 V CA 2.420 64.455 62.300 -0.442 0.000 1.070 214 V CB -1.647 30.008 31.823 -0.281 0.000 0.664 214 V HN 1.056 nan 8.190 nan 0.000 0.461 215 S N -0.040 115.072 115.700 -0.980 0.000 2.442 215 S HA -0.242 4.228 4.470 -0.000 0.000 0.236 215 S C 1.584 175.790 174.600 -0.657 0.000 1.007 215 S CA 1.537 59.035 58.200 -1.168 0.000 0.965 215 S CB -0.804 62.123 63.200 -0.454 0.000 0.773 215 S HN 0.709 nan 8.310 nan 0.000 0.504 216 D N 0.750 120.897 120.400 -0.422 0.000 2.347 216 D HA 0.087 4.727 4.640 -0.000 0.000 0.215 216 D C 0.900 177.097 176.300 -0.171 0.000 0.976 216 D CA 0.468 54.334 54.000 -0.224 0.000 0.884 216 D CB 0.060 40.766 40.800 -0.156 0.000 0.915 216 D HN 0.353 nan 8.370 nan 0.000 0.526 217 L N 0.059 121.135 121.223 -0.245 0.000 2.640 217 L HA 0.152 4.492 4.340 -0.000 0.000 0.230 217 L C -0.038 176.873 176.870 0.069 0.000 1.123 217 L CA -0.005 54.787 54.840 -0.079 0.000 0.900 217 L CB -0.183 41.830 42.059 -0.077 0.000 1.146 217 L HN -0.192 nan 8.230 nan 0.000 0.484 218 F N 0.499 120.416 119.950 -0.055 0.000 2.443 218 F HA 0.158 4.685 4.527 -0.000 0.000 0.353 218 F C 1.665 177.396 175.800 -0.115 0.000 1.101 218 F CA -0.545 57.404 58.000 -0.085 0.000 1.226 218 F CB 0.330 39.294 39.000 -0.059 0.000 1.140 218 F HN 0.076 nan 8.300 nan 0.000 0.557 219 D N 1.566 121.931 120.400 -0.058 0.000 2.355 219 D HA 0.016 4.655 4.640 -0.000 0.000 0.206 219 D C -0.188 176.083 176.300 -0.047 0.000 1.010 219 D CA 0.961 54.831 54.000 -0.216 0.000 0.875 219 D CB 0.524 40.832 40.800 -0.819 0.000 0.966 219 D HN 0.303 nan 8.370 nan 0.000 0.512 220 F N 0.617 120.453 119.950 -0.190 0.000 2.665 220 F HA 0.293 4.820 4.527 -0.000 0.000 0.308 220 F C -1.409 174.354 175.800 -0.061 0.000 1.112 220 F CA -0.829 57.160 58.000 -0.019 0.000 0.972 220 F CB 1.757 40.836 39.000 0.130 0.000 1.295 220 F HN -0.242 nan 8.300 nan 0.000 0.440 221 S N 4.976 120.494 115.700 -0.304 0.000 2.546 221 S HA 0.862 5.332 4.470 -0.000 0.000 0.274 221 S C -1.928 172.611 174.600 -0.101 0.000 1.121 221 S CA -0.823 57.305 58.200 -0.120 0.000 0.887 221 S CB 1.877 65.069 63.200 -0.015 0.000 1.094 221 S HN 0.730 nan 8.310 nan 0.000 0.474 222 L N 2.398 123.641 121.223 0.033 0.000 2.342 222 L HA 0.622 4.962 4.340 -0.000 0.000 0.271 222 L C -1.534 175.390 176.870 0.089 0.000 1.008 222 L CA -0.930 53.953 54.840 0.071 0.000 0.818 222 L CB 1.963 44.078 42.059 0.094 0.000 1.296 222 L HN 0.877 nan 8.230 nan 0.000 0.427 223 Y N 2.203 122.485 120.300 -0.030 0.000 2.349 223 Y HA 0.457 5.007 4.550 -0.000 0.000 0.324 223 Y C -0.797 175.092 175.900 -0.018 0.000 1.005 223 Y CA -0.822 57.267 58.100 -0.018 0.000 1.240 223 Y CB 1.423 39.866 38.460 -0.028 0.000 1.117 223 Y HN 0.195 nan 8.280 nan 0.000 0.463 224 V N 6.288 126.109 119.914 -0.156 0.000 2.427 224 V HA 0.162 4.282 4.120 -0.000 0.000 0.268 224 V C -0.137 175.943 176.094 -0.025 0.000 1.046 224 V CA 0.100 62.376 62.300 -0.039 0.000 0.970 224 V CB 0.710 32.518 31.823 -0.025 0.000 1.001 224 V HN 0.732 nan 8.190 nan 0.000 0.476 225 D N 3.388 123.884 120.400 0.159 0.000 2.374 225 D HA 0.880 5.520 4.640 -0.000 0.000 0.239 225 D C -0.384 175.985 176.300 0.115 0.000 0.991 225 D CA 0.073 54.206 54.000 0.221 0.000 0.960 225 D CB 2.181 43.158 40.800 0.295 0.000 1.284 225 D HN 0.838 nan 8.370 nan 0.000 0.512 226 A N 1.141 123.990 122.820 0.048 0.000 2.567 226 A HA 0.519 4.839 4.320 -0.000 0.000 0.291 226 A C -1.083 176.422 177.584 -0.131 0.000 1.048 226 A CA -0.802 51.185 52.037 -0.083 0.000 0.661 226 A CB 0.874 19.718 19.000 -0.261 0.000 1.288 226 A HN 0.517 nan 8.150 nan 0.000 0.424 227 R N 0.649 121.037 120.500 -0.188 0.000 2.489 227 R HA 0.211 4.551 4.340 -0.000 0.000 0.287 227 R C 1.197 177.380 176.300 -0.195 0.000 1.053 227 R CA 0.102 56.108 56.100 -0.156 0.000 1.036 227 R CB 0.349 30.557 30.300 -0.152 0.000 0.966 227 R HN 0.696 nan 8.270 nan 0.000 0.432 228 I N 2.581 123.100 120.570 -0.085 0.000 2.185 228 I HA -0.372 3.798 4.170 -0.000 0.000 0.246 228 I C 1.272 177.328 176.117 -0.101 0.000 1.088 228 I CA 1.810 63.104 61.300 -0.009 0.000 1.347 228 I CB 0.174 38.226 38.000 0.087 0.000 1.041 228 I HN 0.653 nan 8.210 nan 0.000 0.415 229 E N 0.715 120.831 120.200 -0.140 0.000 2.110 229 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 229 E C 1.818 178.202 176.600 -0.360 0.000 0.988 229 E CA 1.462 57.744 56.400 -0.197 0.000 0.804 229 E CB -0.286 29.333 29.700 -0.136 0.000 0.745 229 E HN 0.525 nan 8.360 nan 0.000 0.458 230 D N 0.063 120.190 120.400 -0.455 0.000 2.117 230 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 230 D C 1.957 177.525 176.300 -1.220 0.000 0.987 230 D CA 0.798 54.342 54.000 -0.760 0.000 0.829 230 D CB -0.139 40.174 40.800 -0.811 0.000 0.961 230 D HN 0.219 nan 8.370 nan 0.000 0.460 231 I N 0.965 120.947 120.570 -0.979 0.000 2.315 231 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 231 I C 2.483 178.186 176.117 -0.689 0.000 1.117 231 I CA 0.955 61.805 61.300 -0.750 0.000 1.404 231 I CB -0.247 37.581 38.000 -0.287 0.000 1.071 231 I HN 0.021 nan 8.210 nan 0.000 0.419 232 E N 1.033 120.648 120.200 -0.974 0.000 2.077 232 E HA -0.328 4.022 4.350 -0.000 0.000 0.193 232 E C 2.192 178.446 176.600 -0.576 0.000 0.989 232 E CA 1.413 56.996 56.400 -1.362 0.000 0.800 232 E CB -0.023 28.891 29.700 -1.311 0.000 0.746 232 E HN 0.312 nan 8.360 nan 0.000 0.452 233 Q N 0.228 119.790 119.800 -0.397 0.000 2.061 233 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 233 Q C 1.670 177.713 176.000 0.071 0.000 0.984 233 Q CA 2.190 57.905 55.803 -0.146 0.000 0.846 233 Q CB -0.578 28.089 28.738 -0.118 0.000 0.902 233 Q HN 0.446 nan 8.270 nan 0.000 0.421 234 W N -0.332 120.903 121.300 -0.109 0.000 2.338 234 W HA -0.178 4.482 4.660 -0.000 0.000 0.304 234 W C 2.280 178.808 176.519 0.015 0.000 1.212 234 W CA 1.001 58.344 57.345 -0.003 0.000 1.264 234 W CB -1.636 27.832 29.460 0.014 0.000 1.142 234 W HN 0.327 nan 8.180 nan 0.000 0.512 235 Y N 0.745 121.086 120.300 0.068 0.000 2.114 235 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 235 Y C 2.438 178.372 175.900 0.056 0.000 1.143 235 Y CA 2.502 60.626 58.100 0.040 0.000 1.135 235 Y CB -0.768 37.640 38.460 -0.087 0.000 0.980 235 Y HN -0.265 nan 8.280 nan 0.000 0.499 236 V N -0.542 119.406 119.914 0.057 0.000 2.295 236 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 236 V C 2.674 178.785 176.094 0.028 0.000 1.049 236 V CA 2.123 64.426 62.300 0.004 0.000 1.024 236 V CB -1.210 30.616 31.823 0.005 0.000 0.648 236 V HN 0.565 nan 8.190 nan 0.000 0.447 237 S N -0.147 115.579 115.700 0.043 0.000 2.359 237 S HA -0.304 4.166 4.470 -0.000 0.000 0.224 237 S C 2.237 176.828 174.600 -0.015 0.000 1.035 237 S CA 2.167 60.390 58.200 0.038 0.000 1.018 237 S CB -0.411 62.837 63.200 0.079 0.000 0.876 237 S HN 0.554 nan 8.310 nan 0.000 0.448 238 R N -1.095 119.382 120.500 -0.039 0.000 2.115 238 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 238 R C 2.121 178.295 176.300 -0.209 0.000 1.111 238 R CA 1.463 57.485 56.100 -0.130 0.000 0.976 238 R CB -0.495 29.735 30.300 -0.117 0.000 0.870 238 R HN 0.557 nan 8.270 nan 0.000 0.445 239 F N 1.173 120.919 119.950 -0.340 0.000 2.075 239 F HA -0.183 4.344 4.527 0.000 0.000 0.297 239 F C 1.832 177.512 175.800 -0.201 0.000 1.113 239 F CA 1.501 59.308 58.000 -0.322 0.000 1.218 239 F CB -0.164 38.635 39.000 -0.336 0.000 0.984 239 F HN -0.048 nan 8.300 nan 0.000 0.472 240 L N -0.102 121.159 121.223 0.063 0.000 2.012 240 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 240 L C 2.770 179.565 176.870 -0.125 0.000 1.073 240 L CA 1.446 56.297 54.840 0.019 0.000 0.748 240 L CB -1.702 40.395 42.059 0.063 0.000 0.891 240 L HN 0.257 nan 8.230 nan 0.000 0.431 241 A N -0.166 122.556 122.820 -0.163 0.000 2.019 241 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 241 A C 2.230 179.618 177.584 -0.327 0.000 1.164 241 A CA 1.511 53.428 52.037 -0.199 0.000 0.644 241 A CB -0.462 18.431 19.000 -0.178 0.000 0.805 241 A HN 0.402 nan 8.150 nan 0.000 0.449 242 M N -1.198 118.064 119.600 -0.563 0.000 2.557 242 M HA -0.044 4.436 4.480 -0.000 0.000 0.259 242 M C 1.967 177.773 176.300 -0.823 0.000 1.086 242 M CA 0.626 55.379 55.300 -0.912 0.000 1.096 242 M CB -0.227 31.376 32.600 -1.663 0.000 1.424 242 M HN 0.364 nan 8.290 nan 0.000 0.488 243 R N 0.159 120.407 120.500 -0.420 0.000 2.127 243 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 243 R C 1.931 178.204 176.300 -0.046 0.000 1.134 243 R CA 1.874 57.938 56.100 -0.060 0.000 0.975 243 R CB -0.478 29.827 30.300 0.009 0.000 0.865 243 R HN 0.462 nan 8.270 nan 0.000 0.447 244 T N -3.708 110.780 114.554 -0.110 0.000 3.054 244 T HA 0.098 4.448 4.350 -0.000 0.000 0.255 244 T C 1.324 175.973 174.700 -0.085 0.000 1.035 244 T CA 0.402 62.465 62.100 -0.063 0.000 0.941 244 T CB 0.491 69.328 68.868 -0.052 0.000 1.026 244 T HN 0.251 nan 8.240 nan 0.000 0.533 245 T N -0.079 114.378 114.554 -0.161 0.000 3.166 245 T HA 0.617 4.967 4.350 -0.000 0.000 0.182 245 T C 2.250 176.867 174.700 -0.139 0.000 0.810 245 T CA 0.458 62.467 62.100 -0.152 0.000 1.441 245 T CB -0.707 68.042 68.868 -0.197 0.000 2.201 245 T HN 0.128 nan 8.240 nan 0.000 0.414 246 A N 1.238 123.913 122.820 -0.241 0.000 1.873 246 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 246 A C 2.083 179.709 177.584 0.070 0.000 1.193 246 A CA 1.867 53.814 52.037 -0.151 0.000 0.629 246 A CB -1.406 17.428 19.000 -0.277 0.000 0.826 246 A HN 0.567 nan 8.150 nan 0.000 0.447 247 F N 0.041 119.957 119.950 -0.057 0.000 2.502 247 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 247 F C 2.637 178.538 175.800 0.167 0.000 1.111 247 F CA -0.135 57.885 58.000 0.033 0.000 1.445 247 F CB -1.241 37.708 39.000 -0.085 0.000 1.081 247 F HN 0.276 nan 8.300 nan 0.000 0.558 248 A N -0.781 122.193 122.820 0.256 0.000 1.969 248 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 248 A C 1.193 178.916 177.584 0.232 0.000 1.169 248 A CA 0.816 53.002 52.037 0.249 0.000 0.635 248 A CB -0.713 18.349 19.000 0.104 0.000 0.810 248 A HN 0.204 nan 8.150 nan 0.000 0.445 249 D N -0.378 120.102 120.400 0.132 0.000 2.458 249 D HA 0.116 4.756 4.640 -0.000 0.000 0.243 249 D C -1.807 174.391 176.300 -0.171 0.000 1.146 249 D CA -1.567 52.434 54.000 0.003 0.000 0.877 249 D CB 1.104 41.911 40.800 0.012 0.000 1.176 249 D HN 0.010 nan 8.370 nan 0.000 0.461 250 P HA -0.065 nan 4.420 nan 0.000 0.222 250 P C 0.531 177.677 177.300 -0.256 0.000 1.147 250 P CA 0.844 63.595 63.100 -0.581 0.000 0.790 250 P CB 0.385 31.889 31.700 -0.327 0.000 0.780 251 E N -1.001 119.140 120.200 -0.098 0.000 2.371 251 E HA 0.012 4.361 4.350 -0.000 0.000 0.194 251 E C 0.722 177.358 176.600 0.061 0.000 1.012 251 E CA 0.154 56.562 56.400 0.013 0.000 0.860 251 E CB -0.453 29.274 29.700 0.045 0.000 0.811 251 E HN 0.034 nan 8.360 nan 0.000 0.502 252 S N -0.222 115.521 115.700 0.072 0.000 2.549 252 S HA -0.056 4.414 4.470 -0.000 0.000 0.286 252 S C 0.391 175.119 174.600 0.214 0.000 1.314 252 S CA -0.279 58.043 58.200 0.203 0.000 1.062 252 S CB 0.357 63.741 63.200 0.306 0.000 0.865 252 S HN 0.253 nan 8.310 nan 0.000 0.498 253 H N 3.310 122.470 119.070 0.149 0.000 2.566 253 H HA 0.299 4.855 4.556 -0.000 0.000 0.280 253 H C -0.208 174.982 175.328 -0.231 0.000 1.042 253 H CA 0.565 56.589 56.048 -0.041 0.000 1.168 253 H CB -0.082 29.605 29.762 -0.124 0.000 1.340 253 H HN 0.623 nan 8.280 nan 0.000 0.597 254 F N -2.687 117.265 119.950 0.004 0.000 2.825 254 F HA 0.105 4.631 4.527 -0.000 0.000 0.322 254 F C 1.544 177.139 175.800 -0.341 0.000 1.127 254 F CA -0.199 57.654 58.000 -0.245 0.000 1.164 254 F CB 0.346 38.954 39.000 -0.653 0.000 1.101 254 F HN 0.216 nan 8.300 nan 0.000 0.529 255 H N 0.177 119.249 119.070 0.005 0.000 2.489 255 H HA -0.164 4.392 4.556 -0.000 0.000 0.293 255 H C 2.467 177.786 175.328 -0.015 0.000 1.066 255 H CA 2.219 58.281 56.048 0.023 0.000 1.305 255 H CB -0.109 29.680 29.762 0.045 0.000 1.386 255 H HN 0.353 nan 8.280 nan 0.000 0.551 256 H N -1.960 116.940 119.070 -0.285 0.000 2.524 256 H HA -0.106 4.450 4.556 -0.000 0.000 0.282 256 H C 0.897 176.087 175.328 -0.230 0.000 1.016 256 H CA 0.853 56.738 56.048 -0.272 0.000 1.270 256 H CB -0.720 28.888 29.762 -0.257 0.000 1.394 256 H HN 0.412 nan 8.280 nan 0.000 0.568 257 Y N 1.373 121.132 120.300 -0.900 0.000 2.457 257 Y HA 0.229 4.779 4.550 -0.000 0.000 0.292 257 Y C 2.906 178.582 175.900 -0.374 0.000 1.125 257 Y CA 0.595 58.055 58.100 -1.066 0.000 1.254 257 Y CB -0.310 37.386 38.460 -1.274 0.000 1.012 257 Y HN 0.378 nan 8.280 nan 0.000 0.555 258 A N 0.238 123.004 122.820 -0.090 0.000 1.948 258 A HA -0.188 4.131 4.320 -0.000 0.000 0.220 258 A C 2.411 180.041 177.584 0.077 0.000 1.177 258 A CA 1.972 54.023 52.037 0.023 0.000 0.636 258 A CB -1.012 17.937 19.000 -0.085 0.000 0.815 258 A HN 0.367 nan 8.150 nan 0.000 0.449 259 A N -1.431 121.451 122.820 0.103 0.000 2.119 259 A HA 0.351 4.671 4.320 -0.000 0.000 0.216 259 A C 0.549 178.285 177.584 0.253 0.000 1.152 259 A CA -0.228 51.896 52.037 0.145 0.000 0.708 259 A CB -0.445 18.611 19.000 0.093 0.000 0.805 259 A HN 0.304 nan 8.150 nan 0.000 0.460 260 F N 1.713 121.692 119.950 0.049 0.000 2.628 260 F HA 0.135 4.661 4.527 -0.000 0.000 0.362 260 F C 1.605 177.454 175.800 0.082 0.000 1.148 260 F CA 0.120 58.177 58.000 0.095 0.000 1.352 260 F CB 0.252 39.364 39.000 0.186 0.000 1.081 260 F HN 0.242 nan 8.300 nan 0.000 0.605 261 S N 1.012 116.827 115.700 0.190 0.000 2.655 261 S HA 0.179 4.649 4.470 -0.000 0.000 0.265 261 S C 0.774 175.474 174.600 0.167 0.000 1.240 261 S CA -0.619 57.658 58.200 0.128 0.000 0.986 261 S CB 0.860 64.097 63.200 0.061 0.000 0.985 261 S HN 0.536 nan 8.310 nan 0.000 0.562 262 D N 1.436 121.905 120.400 0.116 0.000 2.103 262 D HA -0.128 4.512 4.640 -0.000 0.000 0.190 262 D C 2.368 178.744 176.300 0.126 0.000 0.997 262 D CA 2.312 56.380 54.000 0.114 0.000 0.833 262 D CB -0.774 40.070 40.800 0.073 0.000 0.961 262 D HN 0.701 nan 8.370 nan 0.000 0.447 263 S N -0.051 115.707 115.700 0.097 0.000 2.382 263 S HA -0.216 4.254 4.470 -0.000 0.000 0.228 263 S C 1.916 176.591 174.600 0.125 0.000 1.027 263 S CA 0.966 59.220 58.200 0.089 0.000 0.991 263 S CB -0.481 62.755 63.200 0.059 0.000 0.823 263 S HN 0.278 nan 8.310 nan 0.000 0.469 264 Q N 1.029 120.920 119.800 0.152 0.000 2.119 264 Q HA 0.064 4.404 4.340 -0.000 0.000 0.201 264 Q C 2.580 178.852 176.000 0.452 0.000 0.972 264 Q CA 1.420 57.353 55.803 0.217 0.000 0.847 264 Q CB -0.481 28.304 28.738 0.078 0.000 0.903 264 Q HN 0.794 nan 8.270 nan 0.000 0.433 265 A N 0.045 123.133 122.820 0.446 0.000 1.929 265 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 265 A C 2.263 179.961 177.584 0.190 0.000 1.176 265 A CA 0.907 53.207 52.037 0.438 0.000 0.628 265 A CB -0.444 18.812 19.000 0.427 0.000 0.816 265 A HN 0.199 nan 8.150 nan 0.000 0.444 266 V N -0.415 119.588 119.914 0.148 0.000 2.407 266 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 266 V C 2.549 178.660 176.094 0.029 0.000 1.055 266 V CA 1.932 64.269 62.300 0.062 0.000 1.049 266 V CB -0.674 31.188 31.823 0.066 0.000 0.662 266 V HN 0.364 nan 8.190 nan 0.000 0.455 267 V N 0.124 120.085 119.914 0.079 0.000 2.307 267 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 267 V C 2.695 178.821 176.094 0.053 0.000 1.045 267 V CA 2.047 64.393 62.300 0.077 0.000 1.024 267 V CB -0.986 30.903 31.823 0.111 0.000 0.651 267 V HN 0.558 nan 8.190 nan 0.000 0.449 268 A N -0.035 122.825 122.820 0.067 0.000 1.865 268 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 268 A C 2.431 179.818 177.584 -0.328 0.000 1.191 268 A CA 2.300 54.320 52.037 -0.029 0.000 0.623 268 A CB -0.945 18.078 19.000 0.038 0.000 0.826 268 A HN 0.585 nan 8.150 nan 0.000 0.444 269 A N -0.443 121.975 122.820 -0.671 0.000 1.908 269 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 269 A C 2.248 179.823 177.584 -0.016 0.000 1.181 269 A CA 1.662 53.297 52.037 -0.670 0.000 0.627 269 A CB -0.493 18.078 19.000 -0.715 0.000 0.818 269 A HN 0.548 nan 8.150 nan 0.000 0.445 270 R N -1.020 119.481 120.500 0.002 0.000 2.096 270 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 270 R C 2.218 178.607 176.300 0.148 0.000 1.127 270 R CA 1.490 57.656 56.100 0.111 0.000 0.968 270 R CB -0.162 30.178 30.300 0.066 0.000 0.861 270 R HN 0.606 nan 8.270 nan 0.000 0.440 271 E N 0.990 121.242 120.200 0.087 0.000 2.107 271 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 271 E C 1.691 178.350 176.600 0.098 0.000 0.982 271 E CA 1.095 57.547 56.400 0.086 0.000 0.809 271 E CB -0.054 29.691 29.700 0.075 0.000 0.756 271 E HN 0.266 nan 8.360 nan 0.000 0.459 272 I N 0.012 120.654 120.570 0.120 0.000 2.252 272 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 272 I C 2.332 178.515 176.117 0.109 0.000 1.102 272 I CA 1.011 62.408 61.300 0.162 0.000 1.385 272 I CB -0.474 37.682 38.000 0.260 0.000 1.064 272 I HN 0.349 nan 8.210 nan 0.000 0.414 273 W N 2.736 123.983 121.300 -0.088 0.000 2.381 273 W HA -0.205 4.455 4.660 -0.000 0.000 0.301 273 W C 2.655 179.113 176.519 -0.101 0.000 1.205 273 W CA 1.441 58.643 57.345 -0.237 0.000 1.285 273 W CB -0.283 29.025 29.460 -0.253 0.000 1.133 273 W HN 0.090 nan 8.180 nan 0.000 0.521 274 R N 0.283 120.813 120.500 0.050 0.000 2.081 274 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 274 R C 2.369 178.624 176.300 -0.075 0.000 1.131 274 R CA 2.677 58.767 56.100 -0.017 0.000 0.960 274 R CB -0.610 29.734 30.300 0.075 0.000 0.856 274 R HN 0.219 nan 8.270 nan 0.000 0.436 275 T N -2.674 111.864 114.554 -0.027 0.000 3.054 275 T HA 0.153 4.503 4.350 -0.000 0.000 0.259 275 T C 1.749 176.465 174.700 0.027 0.000 1.092 275 T CA 0.436 62.532 62.100 -0.006 0.000 1.121 275 T CB 0.153 69.024 68.868 0.005 0.000 0.912 275 T HN 0.197 nan 8.240 nan 0.000 0.489 276 I N 0.459 121.037 120.570 0.012 0.000 3.674 276 I HA 0.179 4.349 4.170 -0.000 0.000 0.248 276 I C 2.103 178.208 176.117 -0.019 0.000 1.134 276 I CA -0.195 61.188 61.300 0.138 0.000 1.519 276 I CB 0.080 38.201 38.000 0.202 0.000 1.598 276 I HN -0.016 nan 8.210 nan 0.000 0.442 277 N N 1.535 120.067 118.700 -0.279 0.000 2.188 277 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 277 N C 1.826 176.770 175.510 -0.943 0.000 1.018 277 N CA 1.201 53.916 53.050 -0.559 0.000 0.858 277 N CB -0.328 37.814 38.487 -0.576 0.000 0.989 277 N HN 0.286 nan 8.380 nan 0.000 0.426 278 R N 1.038 120.767 120.500 -1.285 0.000 2.062 278 R HA -0.044 4.296 4.340 -0.000 0.000 0.231 278 R C -0.696 175.308 176.300 -0.494 0.000 1.136 278 R CA 1.147 56.580 56.100 -1.110 0.000 0.948 278 R CB -0.803 28.888 30.300 -1.015 0.000 0.845 278 R HN 0.132 nan 8.270 nan 0.000 0.430 279 P HA -0.142 nan 4.420 nan 0.000 0.215 279 P C 0.451 177.637 177.300 -0.190 0.000 1.157 279 P CA 1.387 64.419 63.100 -0.114 0.000 0.874 279 P CB -0.147 31.603 31.700 0.084 0.000 0.790 280 N N -0.702 117.737 118.700 -0.434 0.000 2.120 280 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 280 N C 1.552 176.820 175.510 -0.403 0.000 1.024 280 N CA 0.956 53.541 53.050 -0.775 0.000 0.852 280 N CB -1.020 36.755 38.487 -1.186 0.000 1.003 280 N HN -0.071 nan 8.380 nan 0.000 0.424 281 L N 0.118 121.142 121.223 -0.333 0.000 2.017 281 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 281 L C 2.048 178.851 176.870 -0.113 0.000 1.073 281 L CA 1.482 56.209 54.840 -0.188 0.000 0.745 281 L CB -0.833 41.116 42.059 -0.183 0.000 0.894 281 L HN 0.036 nan 8.230 nan 0.000 0.432 282 V N -0.284 119.554 119.914 -0.127 0.000 2.358 282 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 282 V C 2.452 178.513 176.094 -0.054 0.000 1.047 282 V CA 2.073 64.331 62.300 -0.071 0.000 1.035 282 V CB -0.631 31.153 31.823 -0.066 0.000 0.658 282 V HN 0.506 nan 8.190 nan 0.000 0.452 283 E N -0.184 119.977 120.200 -0.065 0.000 2.170 283 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 283 E C 1.714 178.293 176.600 -0.034 0.000 0.981 283 E CA 0.942 57.324 56.400 -0.030 0.000 0.830 283 E CB 0.043 29.750 29.700 0.012 0.000 0.775 283 E HN 0.600 nan 8.360 nan 0.000 0.470 284 N N -0.290 118.364 118.700 -0.076 0.000 2.557 284 N HA 0.130 4.870 4.740 -0.000 0.000 0.217 284 N C 1.856 177.347 175.510 -0.031 0.000 1.062 284 N CA 0.264 53.280 53.050 -0.056 0.000 0.863 284 N CB 0.455 38.888 38.487 -0.090 0.000 1.390 284 N HN 0.051 nan 8.380 nan 0.000 0.445 285 I N 1.691 122.239 120.570 -0.037 0.000 2.162 285 I HA -0.117 4.053 4.170 -0.000 0.000 0.238 285 I C 2.259 178.467 176.117 0.150 0.000 1.076 285 I CA 0.825 62.155 61.300 0.051 0.000 1.353 285 I CB -0.330 37.681 38.000 0.018 0.000 1.063 285 I HN -0.047 nan 8.210 nan 0.000 0.408 286 L N 0.792 122.077 121.223 0.103 0.000 2.081 286 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 286 L C -0.454 176.397 176.870 -0.031 0.000 1.080 286 L CA 1.730 56.605 54.840 0.058 0.000 0.754 286 L CB -1.575 40.494 42.059 0.016 0.000 0.893 286 L HN 0.194 nan 8.230 nan 0.000 0.433 287 P HA -0.110 nan 4.420 nan 0.000 0.234 287 P C 1.241 178.525 177.300 -0.028 0.000 1.167 287 P CA 1.252 64.334 63.100 -0.029 0.000 0.763 287 P CB -0.100 31.590 31.700 -0.017 0.000 0.835 288 T N -4.856 109.696 114.554 -0.003 0.000 3.022 288 T HA 0.114 4.464 4.350 -0.000 0.000 0.250 288 T C 1.814 176.490 174.700 -0.039 0.000 1.060 288 T CA -0.184 61.926 62.100 0.017 0.000 1.013 288 T CB -0.314 68.605 68.868 0.085 0.000 0.982 288 T HN -0.054 nan 8.240 nan 0.000 0.508 289 R N 1.856 122.216 120.500 -0.234 0.000 2.091 289 R HA -0.025 4.315 4.340 -0.000 0.000 0.238 289 R C -0.830 175.292 176.300 -0.297 0.000 1.136 289 R CA 1.553 57.285 56.100 -0.614 0.000 0.959 289 R CB -1.180 28.470 30.300 -1.083 0.000 0.856 289 R HN 0.348 nan 8.270 nan 0.000 0.437 290 P HA -0.188 nan 4.420 nan 0.000 0.218 290 P C 0.326 177.683 177.300 0.095 0.000 1.146 290 P CA 1.590 64.687 63.100 -0.005 0.000 0.813 290 P CB -0.135 31.575 31.700 0.017 0.000 0.778 291 R N -1.392 119.124 120.500 0.028 0.000 2.334 291 R HA 0.429 4.769 4.340 -0.000 0.000 0.216 291 R C 0.551 176.868 176.300 0.028 0.000 0.905 291 R CA -0.105 56.014 56.100 0.032 0.000 1.064 291 R CB -0.157 30.148 30.300 0.008 0.000 1.046 291 R HN -0.081 nan 8.270 nan 0.000 0.508 292 A N 1.146 123.981 122.820 0.025 0.000 2.477 292 A HA 0.187 4.507 4.320 -0.000 0.000 0.246 292 A C 0.837 178.389 177.584 -0.054 0.000 1.078 292 A CA -0.144 51.898 52.037 0.008 0.000 0.770 292 A CB 0.615 19.645 19.000 0.051 0.000 1.011 292 A HN 0.331 nan 8.150 nan 0.000 0.494 293 T N 1.337 115.763 114.554 -0.213 0.000 2.746 293 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 293 T C 0.416 174.977 174.700 -0.232 0.000 1.039 293 T CA 1.626 63.507 62.100 -0.366 0.000 1.142 293 T CB -0.272 67.976 68.868 -1.034 0.000 0.866 293 T HN 0.482 nan 8.240 nan 0.000 0.444 294 L N 1.203 122.302 121.223 -0.207 0.000 2.438 294 L HA 0.574 4.913 4.340 -0.000 0.000 0.270 294 L C -1.428 175.415 176.870 -0.045 0.000 0.972 294 L CA -0.838 53.959 54.840 -0.072 0.000 0.831 294 L CB 2.121 44.194 42.059 0.023 0.000 1.273 294 L HN -0.158 nan 8.230 nan 0.000 0.405 295 V N 6.211 126.086 119.914 -0.065 0.000 2.370 295 V HA 0.423 4.543 4.120 -0.000 0.000 0.283 295 V C -0.085 175.957 176.094 -0.088 0.000 1.023 295 V CA -0.488 61.796 62.300 -0.027 0.000 0.857 295 V CB 1.461 33.241 31.823 -0.073 0.000 0.985 295 V HN 0.570 nan 8.190 nan 0.000 0.443 296 L N 6.428 127.620 121.223 -0.052 0.000 2.259 296 L HA 0.519 4.859 4.340 -0.000 0.000 0.288 296 L C 0.407 177.266 176.870 -0.019 0.000 1.051 296 L CA -0.365 54.409 54.840 -0.110 0.000 0.824 296 L CB 0.472 42.456 42.059 -0.124 0.000 1.206 296 L HN 0.553 nan 8.230 nan 0.000 0.429 297 R N 3.580 124.057 120.500 -0.038 0.000 2.216 297 R HA 0.371 4.711 4.340 -0.000 0.000 0.332 297 R C -0.552 175.768 176.300 0.034 0.000 1.056 297 R CA -0.484 55.620 56.100 0.007 0.000 0.901 297 R CB 0.981 31.270 30.300 -0.018 0.000 1.039 297 R HN 0.458 nan 8.270 nan 0.000 0.456 298 K N 1.888 122.343 120.400 0.091 0.000 2.123 298 K HA 0.239 4.559 4.320 -0.000 0.000 0.259 298 K C -0.456 176.229 176.600 0.142 0.000 0.960 298 K CA -0.806 55.575 56.287 0.157 0.000 0.872 298 K CB 1.316 34.006 32.500 0.316 0.000 1.079 298 K HN 0.414 nan 8.250 nan 0.000 0.440 299 D N 0.329 120.819 120.400 0.151 0.000 2.387 299 D HA 0.129 4.768 4.640 -0.000 0.000 0.255 299 D C 1.063 177.487 176.300 0.207 0.000 1.081 299 D CA -0.224 53.845 54.000 0.115 0.000 0.994 299 D CB 1.419 42.270 40.800 0.085 0.000 1.127 299 D HN 0.580 nan 8.370 nan 0.000 0.513 300 A N 0.837 123.731 122.820 0.123 0.000 2.104 300 A HA -0.230 4.090 4.320 -0.000 0.000 0.223 300 A C 1.090 178.886 177.584 0.355 0.000 1.164 300 A CA 2.050 54.189 52.037 0.170 0.000 0.659 300 A CB -0.465 18.577 19.000 0.070 0.000 0.808 300 A HN 0.580 nan 8.150 nan 0.000 0.465 301 D N -3.424 117.131 120.400 0.257 0.000 2.395 301 D HA 0.202 4.842 4.640 -0.000 0.000 0.226 301 D C 0.308 176.753 176.300 0.242 0.000 1.146 301 D CA 0.029 54.171 54.000 0.237 0.000 0.830 301 D CB -0.829 40.056 40.800 0.141 0.000 0.958 301 D HN 0.593 nan 8.370 nan 0.000 0.501 302 H N -1.872 117.271 119.070 0.122 0.000 3.641 302 H HA -0.188 4.368 4.556 -0.000 0.000 0.193 302 H C -0.056 175.267 175.328 -0.007 0.000 1.013 302 H CA 0.980 56.932 56.048 -0.160 0.000 1.212 302 H CB -2.061 27.397 29.762 -0.506 0.000 1.089 302 H HN 0.219 nan 8.280 nan 0.000 0.339 303 S N 0.467 116.256 115.700 0.149 0.000 2.481 303 S HA 0.360 4.830 4.470 -0.000 0.000 0.276 303 S C 0.557 175.218 174.600 0.101 0.000 1.247 303 S CA -0.683 57.581 58.200 0.107 0.000 1.053 303 S CB 0.198 63.451 63.200 0.088 0.000 0.925 303 S HN 0.320 nan 8.310 nan 0.000 0.491 304 I N 6.061 126.681 120.570 0.083 0.000 2.406 304 I HA 0.144 4.314 4.170 -0.000 0.000 0.293 304 I C 0.696 176.827 176.117 0.023 0.000 1.101 304 I CA -0.201 61.123 61.300 0.041 0.000 1.334 304 I CB 0.286 38.285 38.000 -0.001 0.000 1.421 304 I HN 0.645 nan 8.210 nan 0.000 0.513 305 N N 6.190 124.904 118.700 0.023 0.000 2.171 305 N HA 0.218 4.958 4.740 -0.000 0.000 0.212 305 N C -0.024 175.498 175.510 0.019 0.000 1.184 305 N CA 0.066 53.134 53.050 0.030 0.000 0.888 305 N CB 0.812 39.325 38.487 0.044 0.000 1.038 305 N HN 0.532 nan 8.380 nan 0.000 0.517 306 R N 0.054 120.545 120.500 -0.015 0.000 2.651 306 R HA 0.565 4.905 4.340 -0.000 0.000 0.278 306 R C -1.447 174.800 176.300 -0.088 0.000 1.010 306 R CA -0.613 55.478 56.100 -0.014 0.000 0.896 306 R CB 1.928 32.227 30.300 -0.002 0.000 1.211 306 R HN -0.146 nan 8.270 nan 0.000 0.456 307 L N 1.374 122.551 121.223 -0.076 0.000 2.422 307 L HA 0.571 4.911 4.340 -0.000 0.000 0.264 307 L C -0.578 176.299 176.870 0.012 0.000 0.984 307 L CA -0.514 54.209 54.840 -0.196 0.000 0.819 307 L CB 2.047 43.716 42.059 -0.651 0.000 1.330 307 L HN 0.418 nan 8.230 nan 0.000 0.410 308 R N 2.339 122.817 120.500 -0.038 0.000 2.409 308 R HA 0.700 5.039 4.340 -0.000 0.000 0.313 308 R C -1.709 174.646 176.300 0.093 0.000 0.953 308 R CA -0.746 55.378 56.100 0.040 0.000 0.849 308 R CB 1.490 31.716 30.300 -0.124 0.000 1.171 308 R HN 0.586 nan 8.270 nan 0.000 0.458 309 L N 3.291 124.680 121.223 0.276 0.000 2.331 309 L HA 0.527 4.867 4.340 -0.000 0.000 0.275 309 L C -0.538 176.517 176.870 0.309 0.000 1.022 309 L CA -0.411 54.601 54.840 0.286 0.000 0.812 309 L CB 1.520 43.847 42.059 0.445 0.000 1.257 309 L HN 0.538 nan 8.230 nan 0.000 0.435 310 R N 3.379 124.005 120.500 0.210 0.000 2.196 310 R HA 0.225 4.565 4.340 -0.000 0.000 0.340 310 R C 0.678 177.022 176.300 0.073 0.000 1.043 310 R CA -0.206 55.965 56.100 0.118 0.000 0.883 310 R CB 0.784 31.096 30.300 0.020 0.000 1.078 310 R HN 0.729 nan 8.270 nan 0.000 0.462 311 K N 3.013 123.446 120.400 0.054 0.000 2.262 311 K HA 0.086 4.406 4.320 -0.000 0.000 0.200 311 K C 0.374 176.973 176.600 -0.002 0.000 1.049 311 K CA 0.618 56.939 56.287 0.056 0.000 0.979 311 K CB 0.497 33.035 32.500 0.063 0.000 0.773 311 K HN 0.296 nan 8.250 nan 0.000 0.474 312 L N 0.000 121.183 121.223 -0.067 0.000 2.949 312 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 312 L CA 0.000 54.785 54.840 -0.091 0.000 0.813 312 L CB 0.000 41.994 42.059 -0.108 0.000 0.961 312 L HN 0.000 nan 8.230 nan 0.000 0.502