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 1ari_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSHPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.272 176.300 -0.046 0.000 1.140 5 M CA 0.000 55.157 55.300 -0.238 0.000 0.988 5 M CB 0.000 32.294 32.600 -0.510 0.000 1.302 6 F N 1.487 121.438 119.950 0.002 0.000 2.749 6 F HA 0.343 4.869 4.527 -0.001 0.000 0.300 6 F C 1.310 177.111 175.800 0.003 0.000 1.103 6 F CA 0.485 58.486 58.000 0.003 0.000 1.342 6 F CB -0.879 38.123 39.000 0.003 0.000 1.098 6 F HN 0.234 nan 8.300 nan 0.000 0.586 7 E N 0.033 120.315 120.200 0.137 0.000 2.396 7 E HA -0.225 4.125 4.350 -0.001 0.000 0.200 7 E C 1.211 177.851 176.600 0.066 0.000 1.023 7 E CA 1.233 57.681 56.400 0.081 0.000 0.857 7 E CB -0.443 29.279 29.700 0.037 0.000 0.775 7 E HN 0.429 nan 8.360 nan 0.000 0.525 8 N N -0.600 118.145 118.700 0.074 0.000 2.159 8 N HA 0.140 4.879 4.740 -0.001 0.000 0.217 8 N C -0.384 175.157 175.510 0.051 0.000 1.223 8 N CA -0.204 52.877 53.050 0.052 0.000 0.896 8 N CB 0.628 39.140 38.487 0.041 0.000 1.064 8 N HN -0.041 nan 8.380 nan 0.000 0.518 9 I N 1.570 122.181 120.570 0.068 0.000 2.872 9 I HA -0.038 4.132 4.170 -0.001 0.000 0.291 9 I C 0.871 177.003 176.117 0.026 0.000 1.216 9 I CA 0.507 61.834 61.300 0.044 0.000 1.424 9 I CB 0.356 38.377 38.000 0.035 0.000 1.351 9 I HN 0.164 nan 8.210 nan 0.000 0.592 10 T N 2.111 116.674 114.554 0.015 0.000 2.940 10 T HA 0.691 5.041 4.350 -0.001 0.000 0.288 10 T C -0.170 174.531 174.700 0.002 0.000 1.033 10 T CA -0.933 61.173 62.100 0.010 0.000 1.033 10 T CB 1.841 70.716 68.868 0.010 0.000 1.079 10 T HN 0.718 nan 8.240 nan 0.000 0.496 11 A N 1.331 124.152 122.820 0.002 0.000 2.440 11 A HA 0.654 4.974 4.320 -0.001 0.000 0.251 11 A C 0.773 178.356 177.584 -0.001 0.000 1.089 11 A CA -0.314 51.722 52.037 -0.001 0.000 0.779 11 A CB -0.683 18.318 19.000 0.002 0.000 1.022 11 A HN 1.433 nan 8.150 nan 0.000 0.492 12 A N 3.626 126.444 122.820 -0.004 0.000 2.302 12 A HA 0.699 5.018 4.320 -0.001 0.000 0.285 12 A C -1.926 175.659 177.584 0.002 0.000 1.105 12 A CA -1.305 50.731 52.037 -0.002 0.000 0.816 12 A CB -0.440 18.557 19.000 -0.006 0.000 1.067 12 A HN 0.762 nan 8.150 nan 0.000 0.489 13 P HA 0.448 nan 4.420 nan 0.000 0.275 13 P C -0.117 177.188 177.300 0.009 0.000 1.228 13 P CA -0.137 62.968 63.100 0.008 0.000 0.786 13 P CB 0.742 32.447 31.700 0.008 0.000 0.927 14 A N 1.807 124.634 122.820 0.013 0.000 2.466 14 A HA 0.088 4.407 4.320 -0.001 0.000 0.238 14 A C 0.304 177.897 177.584 0.016 0.000 1.074 14 A CA -0.175 51.871 52.037 0.016 0.000 0.774 14 A CB -0.446 18.568 19.000 0.023 0.000 1.015 14 A HN 0.642 nan 8.150 nan 0.000 0.498 15 D N 1.157 121.567 120.400 0.017 0.000 2.414 15 D HA 0.247 4.887 4.640 -0.001 0.000 0.242 15 D C -1.377 174.933 176.300 0.017 0.000 1.129 15 D CA -0.922 53.088 54.000 0.017 0.000 0.885 15 D CB 0.828 41.640 40.800 0.020 0.000 1.198 15 D HN 0.175 nan 8.370 nan 0.000 0.437 16 P HA -0.023 nan 4.420 nan 0.000 0.221 16 P C 0.854 178.153 177.300 -0.003 0.000 1.150 16 P CA 1.003 64.104 63.100 0.001 0.000 0.800 16 P CB 0.319 32.008 31.700 -0.019 0.000 0.787 17 I N -1.815 118.748 120.570 -0.012 0.000 2.834 17 I HA -0.044 4.126 4.170 -0.001 0.000 0.239 17 I C 1.915 178.037 176.117 0.009 0.000 1.073 17 I CA 0.350 61.641 61.300 -0.015 0.000 1.459 17 I CB -0.848 37.123 38.000 -0.049 0.000 1.288 17 I HN -0.264 nan 8.210 nan 0.000 0.455 18 L N 1.343 122.576 121.223 0.017 0.000 2.353 18 L HA -0.066 4.273 4.340 -0.001 0.000 0.220 18 L C 2.289 179.169 176.870 0.016 0.000 1.133 18 L CA 1.550 56.398 54.840 0.014 0.000 0.798 18 L CB -1.261 40.808 42.059 0.017 0.000 0.922 18 L HN 0.288 nan 8.230 nan 0.000 0.445 19 G N -1.622 107.193 108.800 0.025 0.000 2.464 19 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.217 19 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.217 19 G C 1.599 176.534 174.900 0.058 0.000 1.138 19 G CA 0.025 45.147 45.100 0.036 0.000 0.793 19 G HN 0.254 nan 8.290 nan 0.000 0.539 20 L N 0.679 121.945 121.223 0.072 0.000 2.017 20 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 20 L C 3.352 180.265 176.870 0.071 0.000 1.073 20 L CA 1.397 56.313 54.840 0.127 0.000 0.745 20 L CB -0.618 41.522 42.059 0.135 0.000 0.894 20 L HN 0.344 nan 8.230 nan 0.000 0.432 21 A N -0.452 122.375 122.820 0.012 0.000 2.024 21 A HA -0.245 4.075 4.320 -0.001 0.000 0.220 21 A C 1.884 179.482 177.584 0.024 0.000 1.164 21 A CA 1.834 53.861 52.037 -0.015 0.000 0.643 21 A CB -0.438 18.536 19.000 -0.042 0.000 0.806 21 A HN 0.396 nan 8.150 nan 0.000 0.451 22 D N 0.247 120.666 120.400 0.032 0.000 2.081 22 D HA -0.130 4.509 4.640 -0.001 0.000 0.194 22 D C 1.986 178.309 176.300 0.038 0.000 0.986 22 D CA 1.765 55.784 54.000 0.031 0.000 0.837 22 D CB -0.443 40.375 40.800 0.030 0.000 0.985 22 D HN 0.433 nan 8.370 nan 0.000 0.448 23 L N -0.040 121.224 121.223 0.068 0.000 2.043 23 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 23 L C 2.481 179.365 176.870 0.024 0.000 1.075 23 L CA 1.145 56.041 54.840 0.092 0.000 0.752 23 L CB -0.879 41.306 42.059 0.209 0.000 0.891 23 L HN -0.038 nan 8.230 nan 0.000 0.432 24 F N 0.903 120.689 119.950 -0.272 0.000 2.046 24 F HA -0.215 4.312 4.527 -0.001 0.000 0.297 24 F C 2.830 178.464 175.800 -0.277 0.000 1.123 24 F CA 1.521 59.163 58.000 -0.598 0.000 1.199 24 F CB -0.170 38.365 39.000 -0.775 0.000 0.972 24 F HN -0.109 nan 8.300 nan 0.000 0.474 25 R N 0.667 121.189 120.500 0.037 0.000 2.103 25 R HA -0.175 4.164 4.340 -0.001 0.000 0.234 25 R C 2.270 178.518 176.300 -0.086 0.000 1.132 25 R CA 1.488 57.585 56.100 -0.005 0.000 0.925 25 R CB -1.748 28.569 30.300 0.029 0.000 0.842 25 R HN 0.389 nan 8.270 nan 0.000 0.430 26 A N 1.845 124.636 122.820 -0.049 0.000 2.285 26 A HA -0.141 4.179 4.320 -0.001 0.000 0.214 26 A C 0.502 178.044 177.584 -0.069 0.000 1.188 26 A CA 0.820 52.831 52.037 -0.044 0.000 0.707 26 A CB -0.679 18.313 19.000 -0.012 0.000 0.771 26 A HN 0.315 nan 8.150 nan 0.000 0.488 27 D N -0.875 119.440 120.400 -0.142 0.000 2.225 27 D HA 0.338 4.977 4.640 -0.001 0.000 0.249 27 D C 0.439 176.640 176.300 -0.166 0.000 1.052 27 D CA -0.316 53.597 54.000 -0.144 0.000 0.909 27 D CB 0.976 41.675 40.800 -0.168 0.000 1.186 27 D HN 0.243 nan 8.370 nan 0.000 0.431 28 E N 0.742 120.878 120.200 -0.107 0.000 2.498 28 E HA 0.108 4.458 4.350 -0.001 0.000 0.203 28 E C -0.086 176.464 176.600 -0.083 0.000 1.013 28 E CA -0.356 55.990 56.400 -0.090 0.000 0.927 28 E CB 0.529 30.195 29.700 -0.058 0.000 1.012 28 E HN 0.040 nan 8.360 nan 0.000 0.482 29 R N 2.094 122.542 120.500 -0.088 0.000 2.413 29 R HA 0.037 4.376 4.340 -0.001 0.000 0.333 29 R C -1.687 174.575 176.300 -0.063 0.000 1.074 29 R CA -2.336 53.729 56.100 -0.058 0.000 0.982 29 R CB -0.486 29.795 30.300 -0.032 0.000 0.981 29 R HN 0.096 nan 8.270 nan 0.000 0.452 30 P HA -0.229 nan 4.420 nan 0.000 0.222 30 P C 0.832 178.128 177.300 -0.007 0.000 1.147 30 P CA 1.864 64.948 63.100 -0.026 0.000 0.958 30 P CB 0.062 31.756 31.700 -0.011 0.000 0.788 31 G N -0.057 108.751 108.800 0.013 0.000 3.279 31 G HA2 0.012 3.972 3.960 -0.001 0.000 0.230 31 G HA3 0.012 3.972 3.960 -0.001 0.000 0.230 31 G C 0.289 175.233 174.900 0.074 0.000 1.230 31 G CA -0.395 44.730 45.100 0.042 0.000 0.891 31 G HN 0.454 nan 8.290 nan 0.000 0.518 32 K N 0.214 120.645 120.400 0.051 0.000 2.414 32 K HA 0.267 4.587 4.320 -0.001 0.000 0.272 32 K C -0.584 176.200 176.600 0.307 0.000 0.993 32 K CA -0.176 56.189 56.287 0.130 0.000 0.964 32 K CB 1.015 33.445 32.500 -0.116 0.000 0.925 32 K HN -0.125 nan 8.250 nan 0.000 0.487 33 I N 1.484 122.307 120.570 0.421 0.000 2.693 33 I HA 0.266 4.436 4.170 -0.001 0.000 0.303 33 I C -0.620 175.743 176.117 0.409 0.000 1.025 33 I CA -1.098 60.398 61.300 0.327 0.000 1.086 33 I CB 1.228 39.322 38.000 0.156 0.000 1.268 33 I HN 0.765 nan 8.210 nan 0.000 0.440 34 N N 5.014 123.706 118.700 -0.014 0.000 2.448 34 N HA 0.482 5.222 4.740 -0.001 0.000 0.279 34 N C -0.804 174.596 175.510 -0.183 0.000 1.025 34 N CA -0.369 52.478 53.050 -0.339 0.000 0.898 34 N CB 1.270 39.002 38.487 -1.258 0.000 1.303 34 N HN 0.584 nan 8.380 nan 0.000 0.495 35 L N 2.263 123.456 121.223 -0.049 0.000 3.229 35 L HA 0.415 4.754 4.340 -0.001 0.000 0.286 35 L C 1.585 178.464 176.870 0.016 0.000 1.239 35 L CA -0.312 54.505 54.840 -0.039 0.000 1.035 35 L CB 0.626 42.666 42.059 -0.031 0.000 1.408 35 L HN 0.594 nan 8.230 nan 0.000 0.593 36 G N 1.409 110.205 108.800 -0.007 0.000 2.662 36 G HA2 0.043 4.003 3.960 -0.001 0.000 0.215 36 G HA3 0.043 4.003 3.960 -0.001 0.000 0.215 36 G C 0.830 175.758 174.900 0.046 0.000 1.310 36 G CA -0.029 45.087 45.100 0.026 0.000 0.849 36 G HN 0.090 nan 8.290 nan 0.000 0.568 37 I N 2.459 123.024 120.570 -0.008 0.000 2.556 37 I HA 0.196 4.366 4.170 -0.001 0.000 0.284 37 I C 1.211 177.373 176.117 0.074 0.000 1.114 37 I CA -0.112 61.201 61.300 0.023 0.000 1.418 37 I CB 0.693 38.656 38.000 -0.062 0.000 1.394 37 I HN 0.193 nan 8.210 nan 0.000 0.552 38 G N 6.366 115.315 108.800 0.249 0.000 2.852 38 G HA2 0.313 4.272 3.960 -0.001 0.000 0.280 38 G HA3 0.313 4.272 3.960 -0.001 0.000 0.280 38 G C -0.251 174.630 174.900 -0.032 0.000 0.731 38 G CA -0.049 45.165 45.100 0.191 0.000 2.037 38 G HN 0.381 nan 8.290 nan 0.000 0.560 39 V N 2.552 122.372 119.914 -0.156 0.000 2.588 39 V HA 0.344 4.464 4.120 -0.001 0.000 0.304 39 V C -0.700 175.336 176.094 -0.097 0.000 1.042 39 V CA -1.237 60.874 62.300 -0.315 0.000 0.877 39 V CB 1.846 33.400 31.823 -0.449 0.000 0.996 39 V HN 0.593 nan 8.190 nan 0.000 0.425 40 Y N 5.525 125.816 120.300 -0.015 0.000 2.359 40 Y HA 0.540 5.089 4.550 -0.001 0.000 0.330 40 Y C 0.014 175.935 175.900 0.035 0.000 1.143 40 Y CA 0.101 58.236 58.100 0.058 0.000 1.318 40 Y CB 0.818 39.392 38.460 0.191 0.000 1.234 40 Y HN 0.550 nan 8.280 nan 0.000 0.522 41 K N 4.129 124.072 120.400 -0.763 0.000 2.267 41 K HA 0.279 4.599 4.320 -0.001 0.000 0.246 41 K C -0.987 175.073 176.600 -0.900 0.000 0.954 41 K CA -0.746 55.193 56.287 -0.580 0.000 0.824 41 K CB 1.065 33.347 32.500 -0.363 0.000 1.167 41 K HN 0.819 nan 8.250 nan 0.000 0.431 42 D N 0.130 120.332 120.400 -0.331 0.000 2.564 42 D HA 0.129 4.768 4.640 -0.001 0.000 0.273 42 D C 0.331 176.561 176.300 -0.116 0.000 1.192 42 D CA -0.139 53.770 54.000 -0.152 0.000 1.080 42 D CB 0.405 41.263 40.800 0.096 0.000 1.160 42 D HN 0.425 nan 8.370 nan 0.000 0.607 43 E N -1.231 118.947 120.200 -0.036 0.000 2.171 43 E HA -0.143 4.207 4.350 -0.001 0.000 0.197 43 E C 1.693 178.274 176.600 -0.032 0.000 0.997 43 E CA 2.288 58.670 56.400 -0.030 0.000 0.810 43 E CB -0.420 29.279 29.700 -0.001 0.000 0.738 43 E HN 0.696 nan 8.360 nan 0.000 0.467 44 T N -3.426 111.114 114.554 -0.023 0.000 3.081 44 T HA 0.266 4.615 4.350 -0.001 0.000 0.250 44 T C 1.413 176.097 174.700 -0.027 0.000 1.100 44 T CA 0.335 62.426 62.100 -0.016 0.000 1.038 44 T CB 0.314 69.183 68.868 0.001 0.000 0.962 44 T HN 0.276 nan 8.240 nan 0.000 0.516 45 G N 0.948 109.715 108.800 -0.056 0.000 2.171 45 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.238 45 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.238 45 G C -0.261 174.608 174.900 -0.052 0.000 1.039 45 G CA 0.180 45.238 45.100 -0.070 0.000 0.759 45 G HN 0.887 nan 8.290 nan 0.000 0.501 46 K N 0.228 120.608 120.400 -0.033 0.000 2.371 46 K HA 0.718 5.038 4.320 -0.001 0.000 0.251 46 K C 0.001 176.622 176.600 0.035 0.000 0.934 46 K CA -0.436 55.852 56.287 0.002 0.000 0.798 46 K CB 1.315 33.829 32.500 0.024 0.000 1.204 46 K HN -0.012 nan 8.250 nan 0.000 0.427 47 T N 6.347 120.937 114.554 0.060 0.000 2.794 47 T HA 0.359 4.709 4.350 -0.001 0.000 0.304 47 T C -2.366 172.433 174.700 0.164 0.000 0.973 47 T CA -1.099 61.089 62.100 0.146 0.000 0.972 47 T CB 0.605 69.542 68.868 0.115 0.000 0.952 47 T HN 0.476 nan 8.240 nan 0.000 0.509 48 P HA 0.524 nan 4.420 nan 0.000 0.285 48 P C -0.891 176.501 177.300 0.153 0.000 1.285 48 P CA -0.838 62.348 63.100 0.144 0.000 0.854 48 P CB 0.947 32.721 31.700 0.123 0.000 1.180 49 V N 1.696 121.680 119.914 0.116 0.000 2.383 49 V HA 0.111 4.230 4.120 -0.001 0.000 0.275 49 V C 0.677 176.824 176.094 0.089 0.000 1.036 49 V CA -0.748 61.616 62.300 0.105 0.000 0.889 49 V CB 0.187 32.064 31.823 0.091 0.000 0.985 49 V HN 0.363 nan 8.190 nan 0.000 0.459 50 L N 4.811 126.085 121.223 0.086 0.000 2.581 50 L HA -0.064 4.275 4.340 -0.001 0.000 0.299 50 L C 1.877 178.787 176.870 0.067 0.000 1.261 50 L CA 1.149 56.031 54.840 0.070 0.000 0.866 50 L CB -0.129 41.982 42.059 0.087 0.000 1.113 50 L HN 0.846 nan 8.230 nan 0.000 0.514 51 T N -0.215 114.369 114.554 0.051 0.000 2.708 51 T HA -0.186 4.164 4.350 -0.001 0.000 0.266 51 T C 1.895 176.628 174.700 0.055 0.000 1.037 51 T CA 1.600 63.728 62.100 0.047 0.000 1.146 51 T CB -0.257 68.630 68.868 0.032 0.000 0.865 51 T HN 0.847 nan 8.240 nan 0.000 0.435 52 S N 1.630 117.370 115.700 0.066 0.000 2.374 52 S HA -0.136 4.334 4.470 -0.001 0.000 0.227 52 S C 2.166 176.805 174.600 0.065 0.000 1.037 52 S CA 1.256 59.500 58.200 0.073 0.000 1.024 52 S CB -1.142 62.131 63.200 0.121 0.000 0.861 52 S HN 0.294 nan 8.310 nan 0.000 0.456 53 V N 2.438 122.404 119.914 0.086 0.000 2.261 53 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 53 V C 2.937 179.067 176.094 0.060 0.000 1.047 53 V CA 1.970 64.317 62.300 0.077 0.000 1.015 53 V CB -0.676 31.209 31.823 0.104 0.000 0.642 53 V HN 0.420 nan 8.190 nan 0.000 0.446 54 K N 0.158 120.598 120.400 0.066 0.000 2.074 54 K HA -0.204 4.115 4.320 -0.001 0.000 0.209 54 K C 2.186 178.821 176.600 0.058 0.000 1.048 54 K CA 1.531 57.856 56.287 0.064 0.000 0.926 54 K CB -0.372 32.163 32.500 0.058 0.000 0.713 54 K HN 0.442 nan 8.250 nan 0.000 0.444 55 K N 0.092 120.523 120.400 0.051 0.000 2.026 55 K HA -0.104 4.215 4.320 -0.001 0.000 0.208 55 K C 2.192 178.823 176.600 0.052 0.000 1.048 55 K CA 1.261 57.577 56.287 0.049 0.000 0.929 55 K CB -0.139 32.384 32.500 0.039 0.000 0.713 55 K HN 0.112 nan 8.250 nan 0.000 0.439 56 A N 1.913 124.745 122.820 0.020 0.000 1.877 56 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 56 A C 1.839 179.445 177.584 0.037 0.000 1.186 56 A CA 1.628 53.656 52.037 -0.016 0.000 0.620 56 A CB -0.482 18.471 19.000 -0.077 0.000 0.822 56 A HN 0.375 nan 8.150 nan 0.000 0.443 57 E N -0.690 119.529 120.200 0.033 0.000 2.209 57 E HA -0.279 4.070 4.350 -0.001 0.000 0.196 57 E C 2.078 178.729 176.600 0.085 0.000 0.993 57 E CA 1.318 57.752 56.400 0.056 0.000 0.819 57 E CB -0.170 29.598 29.700 0.113 0.000 0.745 57 E HN 0.800 nan 8.360 nan 0.000 0.477 58 Q N 0.469 120.323 119.800 0.091 0.000 2.046 58 Q HA -0.216 4.124 4.340 -0.001 0.000 0.200 58 Q C 1.916 177.960 176.000 0.074 0.000 0.975 58 Q CA 1.292 57.139 55.803 0.074 0.000 0.836 58 Q CB -0.390 28.387 28.738 0.065 0.000 0.896 58 Q HN 0.394 nan 8.270 nan 0.000 0.428 59 Y N 0.536 120.827 120.300 -0.016 0.000 2.040 59 Y HA -0.305 4.245 4.550 -0.000 0.000 0.275 59 Y C 1.729 177.610 175.900 -0.031 0.000 1.171 59 Y CA 2.202 60.288 58.100 -0.024 0.000 1.123 59 Y CB -0.390 38.050 38.460 -0.033 0.000 0.963 59 Y HN 0.181 nan 8.280 nan 0.000 0.493 60 L N -0.423 120.936 121.223 0.226 0.000 2.042 60 L HA -0.290 4.050 4.340 -0.001 0.000 0.210 60 L C 2.671 179.529 176.870 -0.019 0.000 1.076 60 L CA 1.392 56.291 54.840 0.098 0.000 0.749 60 L CB -0.729 41.354 42.059 0.040 0.000 0.893 60 L HN 0.391 nan 8.230 nan 0.000 0.432 61 L N -0.258 120.964 121.223 -0.001 0.000 2.013 61 L HA -0.296 4.043 4.340 -0.001 0.000 0.212 61 L C 2.453 179.283 176.870 -0.067 0.000 1.073 61 L CA 1.807 56.638 54.840 -0.015 0.000 0.753 61 L CB -0.131 41.931 42.059 0.006 0.000 0.890 61 L HN 0.340 nan 8.230 nan 0.000 0.432 62 E N -0.624 119.504 120.200 -0.121 0.000 2.158 62 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 62 E C 1.654 178.126 176.600 -0.212 0.000 0.982 62 E CA 0.962 57.268 56.400 -0.157 0.000 0.823 62 E CB 0.171 29.768 29.700 -0.173 0.000 0.766 62 E HN 0.572 nan 8.360 nan 0.000 0.468 63 N N 0.201 118.706 118.700 -0.324 0.000 2.356 63 N HA -0.003 4.737 4.740 -0.001 0.000 0.178 63 N C 0.521 175.937 175.510 -0.157 0.000 1.075 63 N CA 0.135 52.991 53.050 -0.324 0.000 0.889 63 N CB 0.429 38.521 38.487 -0.658 0.000 0.999 63 N HN 0.160 nan 8.380 nan 0.000 0.464 67 T N 0.389 114.927 114.554 -0.026 0.000 2.883 67 T HA 0.593 4.943 4.350 -0.001 0.000 0.301 67 T C -0.772 173.904 174.700 -0.039 0.000 1.158 67 T CA -0.654 61.427 62.100 -0.031 0.000 1.007 67 T CB 1.959 70.812 68.868 -0.025 0.000 1.186 67 T HN 0.006 nan 8.240 nan 0.000 0.499 68 K N 1.556 121.921 120.400 -0.059 0.000 2.358 68 K HA 0.170 4.490 4.320 -0.001 0.000 0.200 68 K C 0.534 177.060 176.600 -0.125 0.000 1.030 68 K CA -0.371 55.868 56.287 -0.081 0.000 1.097 68 K CB 0.004 32.454 32.500 -0.084 0.000 0.862 68 K HN 0.432 nan 8.250 nan 0.000 0.534 69 N N 1.829 120.465 118.700 -0.107 0.000 2.052 69 N HA -0.191 4.549 4.740 -0.001 0.000 0.283 69 N C -0.617 174.863 175.510 -0.050 0.000 1.272 69 N CA 0.659 53.650 53.050 -0.099 0.000 0.810 69 N CB 0.035 38.510 38.487 -0.021 0.000 1.042 69 N HN -0.051 nan 8.380 nan 0.000 0.483 70 Y N 2.317 122.619 120.300 0.003 0.000 2.904 70 Y HA -0.078 4.472 4.550 -0.001 0.000 0.336 70 Y C 1.302 177.206 175.900 0.005 0.000 1.263 70 Y CA 0.284 58.387 58.100 0.005 0.000 1.547 70 Y CB 0.219 38.684 38.460 0.008 0.000 1.272 70 Y HN 0.290 nan 8.280 nan 0.000 0.596 71 L N 2.035 123.374 121.223 0.193 0.000 2.482 71 L HA 0.409 4.748 4.340 -0.001 0.000 0.242 71 L C 1.212 178.147 176.870 0.108 0.000 1.210 71 L CA -0.381 54.525 54.840 0.109 0.000 0.819 71 L CB 0.111 42.211 42.059 0.068 0.000 1.203 71 L HN 0.793 nan 8.230 nan 0.000 0.495 72 G N -0.696 108.148 108.800 0.074 0.000 2.547 72 G HA2 0.324 4.284 3.960 -0.001 0.000 0.291 72 G HA3 0.324 4.284 3.960 -0.001 0.000 0.291 72 G C 0.990 175.917 174.900 0.045 0.000 1.211 72 G CA -0.652 44.479 45.100 0.051 0.000 0.950 72 G HN 0.577 nan 8.290 nan 0.000 0.504 73 I N 0.385 120.959 120.570 0.006 0.000 2.194 73 I HA -0.189 3.981 4.170 -0.001 0.000 0.246 73 I C 2.085 178.221 176.117 0.031 0.000 1.093 73 I CA 1.940 63.227 61.300 -0.020 0.000 1.355 73 I CB -0.334 37.613 38.000 -0.088 0.000 1.046 73 I HN 0.590 nan 8.210 nan 0.000 0.413 74 D N 0.265 120.705 120.400 0.067 0.000 2.339 74 D HA 0.188 4.827 4.640 -0.001 0.000 0.217 74 D C 1.114 177.522 176.300 0.181 0.000 1.050 74 D CA 0.827 54.923 54.000 0.159 0.000 0.856 74 D CB 0.177 41.165 40.800 0.313 0.000 0.922 74 D HN 0.436 nan 8.370 nan 0.000 0.518 75 G N 0.759 109.631 108.800 0.120 0.000 2.484 75 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.225 75 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.225 75 G C -0.685 174.261 174.900 0.076 0.000 1.250 75 G CA -0.307 44.840 45.100 0.079 0.000 0.926 75 G HN 0.275 nan 8.290 nan 0.000 0.581 76 I N 3.241 123.845 120.570 0.056 0.000 2.312 76 I HA 0.287 4.457 4.170 -0.001 0.000 0.291 76 I C -0.968 175.234 176.117 0.141 0.000 1.031 76 I CA -1.843 59.497 61.300 0.066 0.000 1.293 76 I CB 1.997 40.001 38.000 0.007 0.000 1.403 76 I HN 0.331 nan 8.210 nan 0.000 0.484 77 P HA -0.135 nan 4.420 nan 0.000 0.222 77 P C 0.938 178.274 177.300 0.060 0.000 1.147 77 P CA 1.154 64.303 63.100 0.081 0.000 0.790 77 P CB 0.253 31.983 31.700 0.050 0.000 0.780 78 E N -0.597 119.637 120.200 0.056 0.000 2.047 78 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 78 E C 1.827 178.431 176.600 0.007 0.000 0.987 78 E CA 0.609 57.019 56.400 0.016 0.000 0.799 78 E CB -1.383 28.313 29.700 -0.006 0.000 0.752 78 E HN 0.237 nan 8.360 nan 0.000 0.449 79 F N 1.844 121.740 119.950 -0.090 0.000 2.024 79 F HA -0.266 4.261 4.527 -0.000 0.000 0.296 79 F C 2.308 178.074 175.800 -0.056 0.000 1.137 79 F CA 2.536 60.467 58.000 -0.115 0.000 1.200 79 F CB -0.938 37.993 39.000 -0.114 0.000 0.954 79 F HN 0.106 nan 8.300 nan 0.000 0.497 80 G N -0.358 108.401 108.800 -0.068 0.000 2.450 80 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.220 80 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.220 80 G C 1.864 176.687 174.900 -0.129 0.000 1.130 80 G CA 0.839 45.861 45.100 -0.130 0.000 0.760 80 G HN 0.389 nan 8.290 nan 0.000 0.557 81 R N -0.604 119.847 120.500 -0.083 0.000 2.066 81 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 81 R C 2.684 178.933 176.300 -0.086 0.000 1.131 81 R CA 1.561 57.623 56.100 -0.063 0.000 0.955 81 R CB -0.512 29.764 30.300 -0.040 0.000 0.851 81 R HN 0.432 nan 8.270 nan 0.000 0.432 82 C N -0.447 118.771 119.300 -0.138 0.000 2.435 82 C HA -0.057 4.403 4.460 -0.001 0.000 0.279 82 C C 2.850 177.752 174.990 -0.147 0.000 1.321 82 C CA 1.307 60.240 59.018 -0.141 0.000 1.752 82 C CB -1.003 26.633 27.740 -0.173 0.000 1.959 82 C HN 0.661 nan 8.230 nan 0.000 0.500 83 T N -0.730 113.685 114.554 -0.232 0.000 3.023 83 T HA -0.124 4.226 4.350 -0.001 0.000 0.266 83 T C 1.508 176.143 174.700 -0.108 0.000 1.093 83 T CA 1.214 63.207 62.100 -0.180 0.000 1.129 83 T CB -0.352 68.346 68.868 -0.284 0.000 0.899 83 T HN 0.683 nan 8.240 nan 0.000 0.491 84 Q N 0.249 120.024 119.800 -0.042 0.000 2.269 84 Q HA 0.098 4.437 4.340 -0.001 0.000 0.201 84 Q C 2.396 178.481 176.000 0.140 0.000 0.946 84 Q CA 0.801 56.671 55.803 0.112 0.000 0.877 84 Q CB 0.101 28.967 28.738 0.214 0.000 0.963 84 Q HN 0.614 nan 8.270 nan 0.000 0.472 85 E N 0.547 120.776 120.200 0.048 0.000 2.072 85 E HA -0.150 4.200 4.350 -0.001 0.000 0.190 85 E C 1.906 178.522 176.600 0.026 0.000 0.982 85 E CA 0.603 57.032 56.400 0.049 0.000 0.803 85 E CB 0.053 29.762 29.700 0.016 0.000 0.755 85 E HN 0.188 nan 8.360 nan 0.000 0.453 86 L N 0.948 122.164 121.223 -0.012 0.000 1.989 86 L HA -0.215 4.124 4.340 -0.001 0.000 0.211 86 L C 2.322 179.147 176.870 -0.076 0.000 1.071 86 L CA 1.450 56.278 54.840 -0.020 0.000 0.749 86 L CB -0.953 41.094 42.059 -0.021 0.000 0.890 86 L HN 0.116 nan 8.230 nan 0.000 0.431 87 L N -1.510 119.599 121.223 -0.190 0.000 1.970 87 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 87 L C 2.180 178.804 176.870 -0.411 0.000 1.071 87 L CA 2.028 56.618 54.840 -0.416 0.000 0.751 87 L CB -1.001 40.508 42.059 -0.917 0.000 0.889 87 L HN 0.193 nan 8.230 nan 0.000 0.432 88 F N -1.015 118.932 119.950 -0.005 0.000 2.721 88 F HA 0.521 5.047 4.527 -0.001 0.000 0.301 88 F C 1.223 177.018 175.800 -0.009 0.000 1.096 88 F CA 0.146 58.137 58.000 -0.016 0.000 1.308 88 F CB -0.472 38.513 39.000 -0.025 0.000 1.086 88 F HN 0.112 nan 8.300 nan 0.000 0.587 89 G N 1.051 109.929 108.800 0.130 0.000 2.788 89 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.686 89 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.686 89 G C 0.506 175.453 174.900 0.079 0.000 1.147 89 G CA -0.575 44.576 45.100 0.086 0.000 0.755 89 G HN 0.075 nan 8.290 nan 0.000 0.634 90 K N 0.962 121.392 120.400 0.050 0.000 2.030 90 K HA -0.226 4.093 4.320 -0.001 0.000 0.222 90 K C 2.496 179.114 176.600 0.029 0.000 1.056 90 K CA 2.257 58.565 56.287 0.035 0.000 0.957 90 K CB -0.349 32.165 32.500 0.024 0.000 0.727 90 K HN 1.019 nan 8.250 nan 0.000 0.452 91 G N 1.149 109.964 108.800 0.025 0.000 3.181 91 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.219 91 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.219 91 G C 0.275 175.182 174.900 0.012 0.000 1.182 91 G CA -0.260 44.849 45.100 0.014 0.000 0.791 91 G HN 0.164 nan 8.290 nan 0.000 0.537 92 S N -0.474 115.243 115.700 0.027 0.000 2.536 92 S HA 0.170 4.640 4.470 -0.001 0.000 0.290 92 S C 1.846 176.428 174.600 -0.031 0.000 1.302 92 S CA 0.332 58.540 58.200 0.014 0.000 1.037 92 S CB 0.683 63.915 63.200 0.054 0.000 0.804 92 S HN 0.536 nan 8.310 nan 0.000 0.506 93 A N 3.953 126.743 122.820 -0.050 0.000 1.975 93 A HA 0.114 4.433 4.320 -0.001 0.000 0.215 93 A C 1.946 179.460 177.584 -0.118 0.000 1.170 93 A CA 0.751 52.747 52.037 -0.068 0.000 0.656 93 A CB -0.446 18.523 19.000 -0.053 0.000 0.821 93 A HN 0.773 nan 8.150 nan 0.000 0.449 94 L N 0.023 121.125 121.223 -0.202 0.000 2.141 94 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 94 L C 2.272 178.999 176.870 -0.240 0.000 1.094 94 L CA 1.158 55.814 54.840 -0.306 0.000 0.763 94 L CB -0.441 41.220 42.059 -0.663 0.000 0.908 94 L HN 0.393 nan 8.230 nan 0.000 0.437 95 I N -0.568 119.893 120.570 -0.182 0.000 2.286 95 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 95 I C 1.905 177.977 176.117 -0.076 0.000 1.104 95 I CA 0.965 62.203 61.300 -0.104 0.000 1.397 95 I CB -0.564 37.409 38.000 -0.044 0.000 1.072 95 I HN 0.322 nan 8.210 nan 0.000 0.417 96 N N 1.183 119.844 118.700 -0.066 0.000 2.216 96 N HA -0.126 4.613 4.740 -0.001 0.000 0.183 96 N C 1.010 176.490 175.510 -0.051 0.000 1.017 96 N CA 1.206 54.227 53.050 -0.048 0.000 0.861 96 N CB -0.361 38.104 38.487 -0.037 0.000 0.986 96 N HN 0.348 nan 8.380 nan 0.000 0.428 97 D N 0.601 120.962 120.400 -0.064 0.000 2.328 97 D HA 0.039 4.679 4.640 -0.001 0.000 0.221 97 D C 0.002 176.264 176.300 -0.062 0.000 1.072 97 D CA 0.098 54.064 54.000 -0.057 0.000 0.850 97 D CB 0.059 40.824 40.800 -0.059 0.000 0.922 97 D HN -0.168 nan 8.370 nan 0.000 0.516 98 K N 0.652 121.007 120.400 -0.075 0.000 3.451 98 K HA -0.232 4.088 4.320 -0.001 0.000 0.273 98 K C 0.400 176.947 176.600 -0.089 0.000 0.944 98 K CA 0.183 56.422 56.287 -0.081 0.000 0.734 98 K CB -1.071 31.392 32.500 -0.061 0.000 1.437 98 K HN 0.405 nan 8.250 nan 0.000 0.454 99 R N -1.121 119.309 120.500 -0.117 0.000 2.265 99 R HA 0.158 4.497 4.340 -0.001 0.000 0.194 99 R C 0.938 177.161 176.300 -0.128 0.000 0.931 99 R CA 0.750 56.785 56.100 -0.109 0.000 1.032 99 R CB 0.558 30.792 30.300 -0.110 0.000 0.980 99 R HN 0.288 nan 8.270 nan 0.000 0.497 100 A N 1.673 124.391 122.820 -0.169 0.000 2.294 100 A HA 0.664 4.983 4.320 -0.001 0.000 0.330 100 A C -0.472 176.987 177.584 -0.208 0.000 1.133 100 A CA -0.605 51.334 52.037 -0.163 0.000 0.836 100 A CB 0.920 19.820 19.000 -0.166 0.000 1.190 100 A HN 0.008 nan 8.150 nan 0.000 0.492 101 R N 0.859 121.194 120.500 -0.275 0.000 2.510 101 R HA 0.480 4.820 4.340 -0.001 0.000 0.287 101 R C -1.484 174.528 176.300 -0.480 0.000 1.084 101 R CA -0.322 55.418 56.100 -0.599 0.000 0.934 101 R CB 1.232 30.869 30.300 -1.105 0.000 1.201 101 R HN 0.729 nan 8.270 nan 0.000 0.431 102 T N 1.038 115.407 114.554 -0.309 0.000 2.888 102 T HA 0.774 5.123 4.350 -0.001 0.000 0.284 102 T C -0.610 174.222 174.700 0.221 0.000 1.017 102 T CA -0.606 61.495 62.100 0.002 0.000 1.022 102 T CB 1.986 70.863 68.868 0.016 0.000 1.013 102 T HN 0.593 nan 8.240 nan 0.000 0.465 103 A N 2.367 125.410 122.820 0.371 0.000 2.343 103 A HA 0.591 4.910 4.320 -0.001 0.000 0.308 103 A C -0.263 177.515 177.584 0.324 0.000 1.092 103 A CA -0.721 51.554 52.037 0.396 0.000 0.751 103 A CB 1.144 20.340 19.000 0.326 0.000 1.203 103 A HN 0.749 nan 8.150 nan 0.000 0.452 104 Q N 1.634 121.622 119.800 0.314 0.000 2.297 104 Q HA 0.391 4.730 4.340 -0.001 0.000 0.267 104 Q C -0.050 176.033 176.000 0.137 0.000 1.006 104 Q CA 0.454 56.407 55.803 0.250 0.000 0.896 104 Q CB 0.483 29.213 28.738 -0.013 0.000 1.186 104 Q HN 0.842 nan 8.270 nan 0.000 0.392 105 T N 1.146 115.760 114.554 0.099 0.000 2.916 105 T HA 0.612 4.961 4.350 -0.001 0.000 0.292 105 T C -2.758 171.867 174.700 -0.123 0.000 1.055 105 T CA -2.289 59.815 62.100 0.006 0.000 1.009 105 T CB 1.796 70.712 68.868 0.079 0.000 1.118 105 T HN 0.404 nan 8.240 nan 0.000 0.497 106 P HA 0.418 nan 4.420 nan 0.000 0.277 106 P C 0.823 178.046 177.300 -0.128 0.000 1.354 106 P CA 0.875 63.822 63.100 -0.254 0.000 0.891 106 P CB -0.103 31.367 31.700 -0.382 0.000 1.058 107 G N 3.445 112.205 108.800 -0.067 0.000 2.855 107 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.352 107 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.352 107 G C 0.936 175.825 174.900 -0.019 0.000 1.415 107 G CA -0.378 44.704 45.100 -0.030 0.000 0.871 107 G HN 0.531 nan 8.290 nan 0.000 0.543 108 G N -1.703 107.084 108.800 -0.023 0.000 2.494 108 G HA2 0.190 4.149 3.960 -0.001 0.000 0.216 108 G HA3 0.190 4.149 3.960 -0.001 0.000 0.216 108 G C 1.768 176.653 174.900 -0.024 0.000 1.140 108 G CA 2.100 47.188 45.100 -0.020 0.000 0.801 108 G HN 1.101 nan 8.290 nan 0.000 0.536 109 T N 1.101 115.626 114.554 -0.048 0.000 2.708 109 T HA -0.051 4.299 4.350 -0.001 0.000 0.266 109 T C 2.520 177.189 174.700 -0.053 0.000 1.037 109 T CA 1.396 63.455 62.100 -0.070 0.000 1.146 109 T CB -0.510 68.307 68.868 -0.084 0.000 0.865 109 T HN 0.319 nan 8.240 nan 0.000 0.435 110 G N 1.003 109.781 108.800 -0.038 0.000 2.450 110 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.220 110 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.220 110 G C 1.774 176.695 174.900 0.035 0.000 1.130 110 G CA 0.940 46.033 45.100 -0.010 0.000 0.760 110 G HN 0.582 nan 8.290 nan 0.000 0.557 111 A N 0.641 123.477 122.820 0.027 0.000 1.877 111 A HA 0.070 4.389 4.320 -0.001 0.000 0.216 111 A C 2.350 179.962 177.584 0.046 0.000 1.186 111 A CA 1.324 53.395 52.037 0.058 0.000 0.620 111 A CB -0.483 18.553 19.000 0.060 0.000 0.822 111 A HN 0.279 nan 8.150 nan 0.000 0.443 112 L N -0.135 121.088 121.223 0.000 0.000 1.971 112 L HA -0.195 4.145 4.340 -0.001 0.000 0.215 112 L C 2.584 179.382 176.870 -0.121 0.000 1.072 112 L CA 2.532 57.334 54.840 -0.063 0.000 0.758 112 L CB -1.252 40.711 42.059 -0.159 0.000 0.889 112 L HN 0.567 nan 8.230 nan 0.000 0.433 113 R N -0.870 119.558 120.500 -0.121 0.000 2.120 113 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 113 R C 1.989 178.295 176.300 0.010 0.000 1.123 113 R CA 1.249 57.292 56.100 -0.094 0.000 0.975 113 R CB -0.452 29.802 30.300 -0.075 0.000 0.866 113 R HN 0.238 nan 8.270 nan 0.000 0.446 114 V N 0.449 120.397 119.914 0.058 0.000 2.719 114 V HA -0.013 4.106 4.120 -0.001 0.000 0.252 114 V C 2.192 178.366 176.094 0.133 0.000 1.065 114 V CA 1.420 63.774 62.300 0.091 0.000 1.086 114 V CB -0.268 31.616 31.823 0.102 0.000 0.700 114 V HN 0.524 nan 8.190 nan 0.000 0.467 115 A N 0.271 123.174 122.820 0.138 0.000 1.872 115 A HA -0.002 4.317 4.320 -0.001 0.000 0.214 115 A C 2.438 180.204 177.584 0.303 0.000 1.187 115 A CA 1.725 53.901 52.037 0.231 0.000 0.614 115 A CB -0.690 18.442 19.000 0.219 0.000 0.826 115 A HN 0.507 nan 8.150 nan 0.000 0.442 116 A N 0.114 123.061 122.820 0.211 0.000 1.877 116 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 116 A C 1.811 179.493 177.584 0.164 0.000 1.186 116 A CA 2.038 54.209 52.037 0.223 0.000 0.620 116 A CB -0.746 18.329 19.000 0.125 0.000 0.822 116 A HN 0.422 nan 8.150 nan 0.000 0.443 117 D N -1.282 119.193 120.400 0.125 0.000 2.158 117 D HA -0.146 4.493 4.640 -0.001 0.000 0.197 117 D C 1.556 177.927 176.300 0.118 0.000 0.995 117 D CA 1.414 55.471 54.000 0.096 0.000 0.846 117 D CB -0.333 40.513 40.800 0.075 0.000 0.941 117 D HN 0.493 nan 8.370 nan 0.000 0.456 118 F N 0.792 120.764 119.950 0.037 0.000 2.022 118 F HA -0.152 4.375 4.527 -0.001 0.000 0.293 118 F C 2.033 177.867 175.800 0.056 0.000 1.142 118 F CA 0.831 58.855 58.000 0.040 0.000 1.177 118 F CB -0.603 38.427 39.000 0.050 0.000 0.982 118 F HN -0.154 nan 8.300 nan 0.000 0.473 119 L N 1.242 122.396 121.223 -0.115 0.000 2.021 119 L HA -0.256 4.084 4.340 -0.001 0.000 0.215 119 L C 2.753 179.537 176.870 -0.143 0.000 1.074 119 L CA 2.196 56.936 54.840 -0.166 0.000 0.760 119 L CB -2.037 40.093 42.059 0.119 0.000 0.889 119 L HN 0.408 nan 8.230 nan 0.000 0.433 120 A N -1.860 120.937 122.820 -0.037 0.000 1.972 120 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 120 A C 2.358 179.904 177.584 -0.063 0.000 1.169 120 A CA 1.488 53.511 52.037 -0.024 0.000 0.635 120 A CB -0.285 18.728 19.000 0.023 0.000 0.810 120 A HN 0.274 nan 8.150 nan 0.000 0.446 121 K N -0.651 119.691 120.400 -0.097 0.000 2.284 121 K HA 0.090 4.409 4.320 -0.001 0.000 0.198 121 K C 0.663 177.178 176.600 -0.143 0.000 1.048 121 K CA 0.606 56.837 56.287 -0.092 0.000 0.987 121 K CB 0.013 32.478 32.500 -0.058 0.000 0.800 121 K HN 0.541 nan 8.250 nan 0.000 0.486 122 N N 0.433 118.966 118.700 -0.279 0.000 2.181 122 N HA -0.016 4.723 4.740 -0.001 0.000 0.207 122 N C 0.619 175.975 175.510 -0.257 0.000 1.182 122 N CA 0.187 53.062 53.050 -0.292 0.000 0.893 122 N CB 1.342 39.581 38.487 -0.414 0.000 1.032 122 N HN 0.196 nan 8.380 nan 0.000 0.513 123 T N -1.716 112.695 114.554 -0.239 0.000 2.807 123 T HA 0.304 4.654 4.350 -0.001 0.000 0.277 123 T C 0.764 175.424 174.700 -0.066 0.000 1.006 123 T CA -0.536 61.485 62.100 -0.132 0.000 1.006 123 T CB 1.554 70.359 68.868 -0.105 0.000 1.274 123 T HN -0.066 nan 8.240 nan 0.000 0.569 124 S N -0.292 115.395 115.700 -0.022 0.000 2.583 124 S HA 0.350 4.819 4.470 -0.001 0.000 0.239 124 S C 0.358 174.967 174.600 0.016 0.000 0.966 124 S CA -0.630 57.569 58.200 -0.001 0.000 0.973 124 S CB -0.703 62.504 63.200 0.012 0.000 0.794 124 S HN 0.620 nan 8.310 nan 0.000 0.463 125 V N 2.948 122.870 119.914 0.013 0.000 2.763 125 V HA 0.251 4.370 4.120 -0.001 0.000 0.306 125 V C 0.510 176.618 176.094 0.022 0.000 1.059 125 V CA 0.226 62.545 62.300 0.032 0.000 1.138 125 V CB 0.896 32.744 31.823 0.041 0.000 0.940 125 V HN 0.581 nan 8.190 nan 0.000 0.489 134 W N 5.078 126.188 121.300 -0.318 0.000 2.278 134 W HA 0.711 5.370 4.660 -0.001 0.000 0.317 134 W C 0.039 176.475 176.519 -0.138 0.000 1.030 134 W CA -0.500 56.723 57.345 -0.203 0.000 1.334 134 W CB 1.866 31.164 29.460 -0.271 0.000 1.215 134 W HN 0.763 nan 8.180 nan 0.000 0.405 135 V N 1.644 121.532 119.914 -0.045 0.000 2.483 135 V HA 0.659 4.779 4.120 -0.001 0.000 0.295 135 V C 0.602 176.471 176.094 -0.375 0.000 1.035 135 V CA -1.150 61.062 62.300 -0.147 0.000 0.896 135 V CB 0.883 32.640 31.823 -0.110 0.000 0.986 135 V HN 0.526 nan 8.190 nan 0.000 0.447 136 S N 2.994 118.275 115.700 -0.698 0.000 2.572 136 S HA 0.051 4.520 4.470 -0.001 0.000 0.262 136 S C 0.091 174.434 174.600 -0.429 0.000 1.375 136 S CA 0.105 57.695 58.200 -1.017 0.000 0.996 136 S CB 0.126 62.799 63.200 -0.878 0.000 0.892 136 S HN 1.170 nan 8.310 nan 0.000 0.562 137 N N 1.616 120.126 118.700 -0.316 0.000 2.549 137 N HA 0.379 5.119 4.740 -0.001 0.000 0.281 137 N C -3.080 172.450 175.510 0.033 0.000 1.084 137 N CA -1.675 51.322 53.050 -0.089 0.000 0.862 137 N CB 1.772 40.240 38.487 -0.032 0.000 1.333 137 N HN 0.439 nan 8.380 nan 0.000 0.523 138 P HA 0.290 nan 4.420 nan 0.000 0.279 138 P C -0.728 176.512 177.300 -0.099 0.000 1.282 138 P CA -0.318 62.766 63.100 -0.027 0.000 0.788 138 P CB 1.341 33.023 31.700 -0.029 0.000 1.139 139 S N -2.181 113.457 115.700 -0.104 0.000 2.656 139 S HA 0.265 4.735 4.470 -0.001 0.000 0.273 139 S C -1.095 173.460 174.600 -0.075 0.000 1.168 139 S CA -0.595 57.563 58.200 -0.069 0.000 0.817 139 S CB 0.321 63.599 63.200 0.129 0.000 1.146 139 S HN 0.563 nan 8.310 nan 0.000 0.475 140 H N 2.106 121.078 119.070 -0.164 0.000 3.001 140 H HA 0.192 4.748 4.556 -0.001 0.000 0.334 140 H C -1.909 173.287 175.328 -0.221 0.000 1.034 140 H CA -0.610 55.249 56.048 -0.316 0.000 1.420 140 H CB 1.215 30.642 29.762 -0.557 0.000 1.405 140 H HN 0.311 nan 8.280 nan 0.000 0.593 141 P HA -0.079 nan 4.420 nan 0.000 0.226 141 P C 1.015 178.416 177.300 0.168 0.000 1.153 141 P CA 0.888 64.023 63.100 0.058 0.000 0.777 141 P CB 0.370 32.045 31.700 -0.041 0.000 0.794 142 N N -1.156 117.734 118.700 0.317 0.000 2.446 142 N HA -0.092 4.648 4.740 -0.001 0.000 0.179 142 N C 1.570 177.125 175.510 0.075 0.000 1.054 142 N CA 0.583 53.687 53.050 0.091 0.000 0.905 142 N CB -0.564 37.893 38.487 -0.051 0.000 0.973 142 N HN 0.241 nan 8.380 nan 0.000 0.448 143 H N -0.245 118.873 119.070 0.080 0.000 2.289 143 H HA -0.133 4.423 4.556 -0.001 0.000 0.296 143 H C 1.812 177.282 175.328 0.238 0.000 1.091 143 H CA 1.157 57.290 56.048 0.140 0.000 1.274 143 H CB 0.243 30.123 29.762 0.198 0.000 1.364 143 H HN 0.068 nan 8.280 nan 0.000 0.490 144 K N 0.589 121.167 120.400 0.297 0.000 2.009 144 K HA -0.134 4.186 4.320 -0.001 0.000 0.210 144 K C 2.426 179.112 176.600 0.144 0.000 1.049 144 K CA 1.496 57.901 56.287 0.197 0.000 0.929 144 K CB -0.210 32.355 32.500 0.108 0.000 0.714 144 K HN 0.164 nan 8.250 nan 0.000 0.440 145 S N 0.761 116.513 115.700 0.087 0.000 2.356 145 S HA -0.145 4.325 4.470 -0.001 0.000 0.223 145 S C 2.050 176.646 174.600 -0.006 0.000 1.032 145 S CA 1.518 59.740 58.200 0.036 0.000 1.005 145 S CB -0.473 62.738 63.200 0.019 0.000 0.867 145 S HN 0.384 nan 8.310 nan 0.000 0.449 146 V N 0.202 120.071 119.914 -0.076 0.000 2.295 146 V HA -0.153 3.966 4.120 -0.001 0.000 0.246 146 V C 1.858 177.824 176.094 -0.214 0.000 1.049 146 V CA 1.751 63.923 62.300 -0.213 0.000 1.024 146 V CB -1.325 30.279 31.823 -0.365 0.000 0.648 146 V HN 0.381 nan 8.190 nan 0.000 0.447 147 F N 1.924 121.882 119.950 0.013 0.000 2.102 147 F HA -0.066 4.461 4.527 -0.001 0.000 0.298 147 F C 2.467 178.261 175.800 -0.009 0.000 1.105 147 F CA 2.256 60.254 58.000 -0.004 0.000 1.239 147 F CB -1.318 37.668 39.000 -0.025 0.000 0.991 147 F HN 0.210 nan 8.300 nan 0.000 0.474 148 N N -0.496 118.287 118.700 0.139 0.000 2.149 148 N HA -0.183 4.556 4.740 -0.001 0.000 0.188 148 N C 1.950 177.486 175.510 0.042 0.000 1.019 148 N CA 1.169 54.262 53.050 0.070 0.000 0.857 148 N CB -0.274 38.240 38.487 0.045 0.000 0.997 148 N HN 0.140 nan 8.380 nan 0.000 0.426 149 S N 0.472 116.186 115.700 0.023 0.000 2.382 149 S HA -0.074 4.395 4.470 -0.001 0.000 0.228 149 S C 2.063 176.671 174.600 0.014 0.000 1.027 149 S CA 1.001 59.205 58.200 0.006 0.000 0.991 149 S CB -0.135 63.056 63.200 -0.016 0.000 0.823 149 S HN 0.458 nan 8.310 nan 0.000 0.469 150 A N 0.003 122.839 122.820 0.027 0.000 2.015 150 A HA 0.340 4.660 4.320 -0.001 0.000 0.219 150 A C 1.776 179.386 177.584 0.044 0.000 1.163 150 A CA 1.526 53.588 52.037 0.042 0.000 0.646 150 A CB -0.684 18.359 19.000 0.073 0.000 0.806 150 A HN 0.987 nan 8.150 nan 0.000 0.448 151 G N -2.922 105.906 108.800 0.048 0.000 2.192 151 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.193 151 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.193 151 G C -0.041 174.880 174.900 0.035 0.000 0.999 151 G CA 0.072 45.191 45.100 0.033 0.000 0.659 151 G HN 0.264 nan 8.290 nan 0.000 0.503 155 V N 3.466 123.269 119.914 -0.184 0.000 2.357 155 V HA 0.769 4.888 4.120 -0.001 0.000 0.284 155 V C -1.008 174.871 176.094 -0.357 0.000 1.018 155 V CA -0.492 61.645 62.300 -0.272 0.000 0.841 155 V CB 1.203 32.921 31.823 -0.175 0.000 0.991 155 V HN 0.587 nan 8.190 nan 0.000 0.437 156 R N 4.097 124.219 120.500 -0.631 0.000 2.573 156 R HA 0.631 4.971 4.340 -0.001 0.000 0.272 156 R C -0.158 175.856 176.300 -0.475 0.000 1.009 156 R CA -0.622 55.012 56.100 -0.776 0.000 1.059 156 R CB 0.894 30.177 30.300 -1.696 0.000 1.112 156 R HN 0.886 nan 8.270 nan 0.000 0.517 157 E N 1.824 121.890 120.200 -0.225 0.000 2.199 157 E HA 0.272 4.622 4.350 -0.001 0.000 0.269 157 E C -0.683 176.056 176.600 0.232 0.000 0.899 157 E CA -0.747 55.639 56.400 -0.023 0.000 0.772 157 E CB 1.663 31.335 29.700 -0.047 0.000 1.155 157 E HN 0.501 nan 8.360 nan 0.000 0.408 158 Y N -0.183 120.214 120.300 0.161 0.000 2.480 158 Y HA 0.742 5.292 4.550 -0.001 0.000 0.323 158 Y C -0.395 175.564 175.900 0.098 0.000 1.267 158 Y CA -1.444 56.744 58.100 0.147 0.000 1.336 158 Y CB 0.676 39.162 38.460 0.044 0.000 1.361 158 Y HN 0.434 nan 8.280 nan 0.000 0.518 159 A N 0.951 123.930 122.820 0.265 0.000 2.271 159 A HA 0.519 4.839 4.320 -0.001 0.000 0.317 159 A C -1.192 176.539 177.584 0.246 0.000 1.245 159 A CA -0.428 51.712 52.037 0.171 0.000 0.857 159 A CB -0.014 19.055 19.000 0.115 0.000 1.175 159 A HN 0.907 nan 8.150 nan 0.000 0.512 160 Y N 2.556 122.866 120.300 0.016 0.000 3.052 160 Y HA 0.288 4.837 4.550 -0.001 0.000 0.176 160 Y C 0.298 176.231 175.900 0.056 0.000 0.916 160 Y CA 0.028 58.137 58.100 0.016 0.000 1.720 160 Y CB -0.328 38.061 38.460 -0.118 0.000 1.299 160 Y HN 0.626 nan 8.280 nan 0.000 0.428 161 Y N 2.735 123.069 120.300 0.057 0.000 2.597 161 Y HA 0.186 4.735 4.550 -0.001 0.000 0.336 161 Y C -0.422 175.456 175.900 -0.036 0.000 1.216 161 Y CA -0.144 57.937 58.100 -0.031 0.000 1.463 161 Y CB 0.210 38.733 38.460 0.105 0.000 1.303 161 Y HN 0.290 nan 8.280 nan 0.000 0.576 162 D N 5.098 125.076 120.400 -0.705 0.000 2.477 162 D HA 0.387 5.027 4.640 -0.001 0.000 0.239 162 D C 0.710 176.408 176.300 -1.003 0.000 1.102 162 D CA 0.248 53.877 54.000 -0.619 0.000 0.901 162 D CB 0.650 41.222 40.800 -0.379 0.000 1.026 162 D HN 0.728 nan 8.370 nan 0.000 0.515 163 A N 4.179 126.549 122.820 -0.750 0.000 1.893 163 A HA -0.358 3.961 4.320 -0.001 0.000 0.222 163 A C 1.796 178.901 177.584 -0.798 0.000 1.309 163 A CA 2.299 54.020 52.037 -0.528 0.000 0.681 163 A CB -0.657 18.258 19.000 -0.142 0.000 0.842 163 A HN 0.717 nan 8.150 nan 0.000 0.468 164 E N 0.116 119.968 120.200 -0.579 0.000 2.007 164 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 164 E C 1.654 177.774 176.600 -0.799 0.000 0.999 164 E CA 1.357 57.408 56.400 -0.582 0.000 0.811 164 E CB -0.568 28.950 29.700 -0.302 0.000 0.762 164 E HN 0.868 nan 8.360 nan 0.000 0.450 165 N N 0.750 119.115 118.700 -0.559 0.000 2.512 165 N HA -0.106 4.633 4.740 -0.001 0.000 0.183 165 N C -0.560 174.708 175.510 -0.403 0.000 1.073 165 N CA 0.577 53.385 53.050 -0.403 0.000 0.911 165 N CB -0.290 38.077 38.487 -0.201 0.000 0.964 165 N HN 0.283 nan 8.380 nan 0.000 0.447 166 H N -0.186 118.606 119.070 -0.463 0.000 2.672 166 H HA -0.128 4.427 4.556 -0.001 0.000 0.325 166 H C -0.370 174.881 175.328 -0.128 0.000 1.158 166 H CA 0.934 56.763 56.048 -0.365 0.000 1.134 166 H CB -1.858 27.660 29.762 -0.407 0.000 1.553 166 H HN 0.146 nan 8.280 nan 0.000 0.419 167 T N -0.232 114.178 114.554 -0.240 0.000 2.843 167 T HA 0.426 4.775 4.350 -0.001 0.000 0.302 167 T C -0.698 173.892 174.700 -0.185 0.000 1.232 167 T CA -1.001 61.030 62.100 -0.115 0.000 1.009 167 T CB 1.476 70.275 68.868 -0.114 0.000 1.254 167 T HN 0.338 nan 8.240 nan 0.000 0.504 168 L N 3.232 124.353 121.223 -0.170 0.000 2.407 168 L HA 0.299 4.638 4.340 -0.001 0.000 0.282 168 L C -0.059 176.702 176.870 -0.182 0.000 1.110 168 L CA -0.126 54.535 54.840 -0.299 0.000 0.863 168 L CB 0.392 42.246 42.059 -0.341 0.000 1.207 168 L HN 0.701 nan 8.230 nan 0.000 0.454 169 D N 4.586 124.884 120.400 -0.170 0.000 2.597 169 D HA -0.100 4.540 4.640 -0.001 0.000 0.228 169 D C 1.114 177.438 176.300 0.041 0.000 1.120 169 D CA 0.006 53.965 54.000 -0.067 0.000 1.083 169 D CB 0.112 40.866 40.800 -0.077 0.000 1.116 169 D HN 0.456 nan 8.370 nan 0.000 0.487 170 F N 1.772 121.658 119.950 -0.107 0.000 2.087 170 F HA -0.281 4.245 4.527 -0.001 0.000 0.299 170 F C 1.822 177.610 175.800 -0.019 0.000 1.100 170 F CA 1.486 59.450 58.000 -0.059 0.000 1.226 170 F CB 0.007 38.973 39.000 -0.057 0.000 0.983 170 F HN 0.293 nan 8.300 nan 0.000 0.479 171 D N -0.081 120.352 120.400 0.055 0.000 2.103 171 D HA -0.228 4.411 4.640 -0.001 0.000 0.190 171 D C 2.374 178.642 176.300 -0.054 0.000 0.997 171 D CA 1.821 55.810 54.000 -0.018 0.000 0.833 171 D CB -0.915 39.888 40.800 0.004 0.000 0.961 171 D HN 0.326 nan 8.370 nan 0.000 0.447 172 A N 1.371 124.176 122.820 -0.025 0.000 1.902 172 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 172 A C 2.126 179.708 177.584 -0.003 0.000 1.181 172 A CA 0.998 53.030 52.037 -0.008 0.000 0.623 172 A CB -0.698 18.306 19.000 0.007 0.000 0.818 172 A HN 0.252 nan 8.150 nan 0.000 0.443 173 L N -0.112 121.103 121.223 -0.013 0.000 1.989 173 L HA -0.153 4.186 4.340 -0.001 0.000 0.211 173 L C 2.252 179.052 176.870 -0.116 0.000 1.071 173 L CA 2.209 57.061 54.840 0.019 0.000 0.749 173 L CB -1.127 40.944 42.059 0.020 0.000 0.890 173 L HN 0.428 nan 8.230 nan 0.000 0.431 174 I N 0.229 120.644 120.570 -0.258 0.000 2.315 174 I HA -0.312 3.858 4.170 -0.001 0.000 0.248 174 I C 2.062 178.105 176.117 -0.123 0.000 1.117 174 I CA 1.581 62.728 61.300 -0.254 0.000 1.404 174 I CB -0.143 37.635 38.000 -0.371 0.000 1.071 174 I HN 0.436 nan 8.210 nan 0.000 0.419 175 N N -0.496 118.153 118.700 -0.084 0.000 2.300 175 N HA -0.140 4.599 4.740 -0.001 0.000 0.179 175 N C 1.924 177.413 175.510 -0.036 0.000 1.016 175 N CA 1.130 54.153 53.050 -0.045 0.000 0.876 175 N CB -0.048 38.424 38.487 -0.025 0.000 0.979 175 N HN 0.311 nan 8.380 nan 0.000 0.432 176 S N 1.449 117.135 115.700 -0.023 0.000 2.355 176 S HA -0.071 4.399 4.470 -0.001 0.000 0.222 176 S C 1.884 176.408 174.600 -0.127 0.000 1.031 176 S CA 0.652 58.856 58.200 0.007 0.000 0.993 176 S CB -0.768 62.495 63.200 0.105 0.000 0.859 176 S HN 0.198 nan 8.310 nan 0.000 0.453 177 L N 2.138 123.213 121.223 -0.246 0.000 2.349 177 L HA -0.077 4.262 4.340 -0.001 0.000 0.220 177 L C 2.513 179.153 176.870 -0.382 0.000 1.130 177 L CA 0.824 55.325 54.840 -0.564 0.000 0.791 177 L CB -0.735 40.976 42.059 -0.580 0.000 0.918 177 L HN 0.432 nan 8.230 nan 0.000 0.444 178 N N 0.171 118.784 118.700 -0.146 0.000 2.585 178 N HA -0.179 4.561 4.740 -0.001 0.000 0.188 178 N C 1.225 176.705 175.510 -0.050 0.000 1.102 178 N CA 0.883 53.912 53.050 -0.036 0.000 0.920 178 N CB 0.152 38.631 38.487 -0.013 0.000 0.963 178 N HN 0.512 nan 8.380 nan 0.000 0.447 179 E N -0.362 119.751 120.200 -0.146 0.000 2.474 179 E HA 0.121 4.470 4.350 -0.001 0.000 0.195 179 E C -0.169 176.389 176.600 -0.070 0.000 1.039 179 E CA -0.271 56.114 56.400 -0.025 0.000 0.881 179 E CB 0.430 30.221 29.700 0.152 0.000 0.970 179 E HN 0.196 nan 8.360 nan 0.000 0.486 180 A N 1.914 124.499 122.820 -0.392 0.000 2.539 180 A HA 0.133 4.452 4.320 -0.001 0.000 0.306 180 A C 0.211 177.873 177.584 0.130 0.000 1.392 180 A CA -0.160 51.572 52.037 -0.507 0.000 1.060 180 A CB -0.033 18.135 19.000 -1.387 0.000 1.134 180 A HN 0.115 nan 8.150 nan 0.000 0.542 181 Q N 0.918 120.832 119.800 0.189 0.000 2.539 181 Q HA 0.283 4.622 4.340 -0.001 0.000 0.268 181 Q C 0.642 176.832 176.000 0.318 0.000 1.109 181 Q CA 0.741 56.679 55.803 0.225 0.000 0.968 181 Q CB 0.416 29.266 28.738 0.187 0.000 1.309 181 Q HN 0.887 nan 8.270 nan 0.000 0.497 182 A N 0.848 123.790 122.820 0.204 0.000 2.409 182 A HA 0.488 4.807 4.320 -0.001 0.000 0.267 182 A C 0.931 178.625 177.584 0.182 0.000 1.127 182 A CA 0.515 52.655 52.037 0.172 0.000 0.795 182 A CB -0.434 18.602 19.000 0.060 0.000 1.061 182 A HN 0.934 nan 8.150 nan 0.000 0.502 183 G N 2.311 111.244 108.800 0.222 0.000 2.231 183 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.206 183 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.206 183 G C -0.101 174.909 174.900 0.184 0.000 0.996 183 G CA 0.124 45.328 45.100 0.173 0.000 0.645 183 G HN 0.713 nan 8.290 nan 0.000 0.498 184 D N 0.200 120.740 120.400 0.234 0.000 2.354 184 D HA 0.544 5.184 4.640 -0.001 0.000 0.247 184 D C 0.678 177.073 176.300 0.157 0.000 1.138 184 D CA -0.060 54.057 54.000 0.196 0.000 0.958 184 D CB 1.752 42.690 40.800 0.229 0.000 1.144 184 D HN 0.181 nan 8.370 nan 0.000 0.458 185 V N 0.762 120.738 119.914 0.103 0.000 2.532 185 V HA 0.421 4.540 4.120 -0.001 0.000 0.295 185 V C 0.061 176.126 176.094 -0.049 0.000 1.041 185 V CA -0.697 61.625 62.300 0.036 0.000 0.926 185 V CB 1.883 33.695 31.823 -0.019 0.000 0.992 185 V HN 0.231 nan 8.190 nan 0.000 0.457 186 V N 5.320 125.160 119.914 -0.124 0.000 2.398 186 V HA 0.350 4.469 4.120 -0.001 0.000 0.282 186 V C -0.270 175.551 176.094 -0.455 0.000 1.014 186 V CA -0.360 61.730 62.300 -0.349 0.000 0.838 186 V CB 1.457 32.901 31.823 -0.632 0.000 1.018 186 V HN 0.719 nan 8.190 nan 0.000 0.432 187 L N 5.128 126.092 121.223 -0.431 0.000 2.410 187 L HA 0.470 4.810 4.340 -0.001 0.000 0.273 187 L C -0.999 175.513 176.870 -0.597 0.000 1.152 187 L CA 0.491 55.084 54.840 -0.413 0.000 0.855 187 L CB 0.366 42.203 42.059 -0.371 0.000 1.129 187 L HN 0.474 nan 8.230 nan 0.000 0.463 188 F N 1.846 121.581 119.950 -0.357 0.000 2.563 188 F HA 0.350 4.876 4.527 -0.001 0.000 0.316 188 F C -0.283 175.415 175.800 -0.169 0.000 1.076 188 F CA -0.708 57.113 58.000 -0.298 0.000 0.921 188 F CB 1.366 39.841 39.000 -0.874 0.000 1.209 188 F HN 0.362 nan 8.300 nan 0.000 0.462 189 H N 1.037 120.288 119.070 0.302 0.000 2.705 189 H HA 0.314 4.870 4.556 -0.001 0.000 0.291 189 H C 1.021 176.640 175.328 0.485 0.000 1.085 189 H CA 0.219 56.489 56.048 0.371 0.000 1.357 189 H CB 1.288 31.295 29.762 0.409 0.000 1.419 189 H HN 0.781 nan 8.280 nan 0.000 0.462 190 G N 2.508 111.548 108.800 0.401 0.000 2.545 190 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.217 190 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.217 190 G C 0.482 175.581 174.900 0.331 0.000 1.218 190 G CA 1.184 46.276 45.100 -0.014 0.000 0.787 190 G HN 0.749 nan 8.290 nan 0.000 0.571 191 C N -4.647 114.979 119.300 0.544 0.000 3.285 191 C HA 0.615 5.074 4.460 -0.001 0.000 0.320 191 C C 0.625 175.939 174.990 0.540 0.000 1.411 191 C CA -0.821 58.541 59.018 0.574 0.000 1.429 191 C CB 0.936 29.010 27.740 0.557 0.000 1.812 191 C HN 1.098 nan 8.230 nan 0.000 0.454 192 C N 2.235 121.784 119.300 0.415 0.000 3.514 192 C HA -0.138 4.322 4.460 -0.001 0.000 0.286 192 C C 0.544 175.689 174.990 0.257 0.000 1.302 192 C CA 1.095 60.269 59.018 0.261 0.000 2.239 192 C CB -3.366 24.418 27.740 0.073 0.000 1.429 192 C HN 1.166 nan 8.230 nan 0.000 0.565 193 H N 2.024 121.218 119.070 0.208 0.000 3.257 193 H HA -0.028 4.528 4.556 -0.001 0.000 0.256 193 H C 0.681 175.967 175.328 -0.069 0.000 0.885 193 H CA 0.947 57.022 56.048 0.044 0.000 1.406 193 H CB 0.365 30.134 29.762 0.013 0.000 1.506 193 H HN 0.678 nan 8.280 nan 0.000 0.527 194 N N 7.120 125.546 118.700 -0.457 0.000 2.422 194 N HA 0.074 4.814 4.740 -0.001 0.000 0.264 194 N C -2.009 173.016 175.510 -0.809 0.000 1.063 194 N CA -2.108 50.691 53.050 -0.418 0.000 0.959 194 N CB 1.380 39.851 38.487 -0.027 0.000 1.087 194 N HN 0.418 nan 8.380 nan 0.000 0.483 195 P HA 0.112 nan 4.420 nan 0.000 0.267 195 P C 0.878 177.793 177.300 -0.641 0.000 1.289 195 P CA 0.266 62.945 63.100 -0.701 0.000 0.866 195 P CB 0.195 31.408 31.700 -0.812 0.000 1.309 196 T N -3.799 110.497 114.554 -0.430 0.000 2.985 196 T HA 0.154 4.504 4.350 -0.001 0.000 0.266 196 T C 1.714 176.440 174.700 0.043 0.000 1.076 196 T CA 1.341 63.272 62.100 -0.283 0.000 1.135 196 T CB -1.285 67.389 68.868 -0.323 0.000 0.890 196 T HN 0.180 nan 8.240 nan 0.000 0.480 197 G N 1.083 109.973 108.800 0.150 0.000 2.184 197 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.264 197 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.264 197 G C 0.049 175.088 174.900 0.231 0.000 0.975 197 G CA 0.327 45.540 45.100 0.188 0.000 0.642 197 G HN 0.669 nan 8.290 nan 0.000 0.536 198 I N 1.576 122.301 120.570 0.258 0.000 2.321 198 I HA 0.400 4.569 4.170 -0.001 0.000 0.291 198 I C -0.766 175.494 176.117 0.237 0.000 0.998 198 I CA -0.677 60.749 61.300 0.210 0.000 1.227 198 I CB 1.244 39.346 38.000 0.170 0.000 1.368 198 I HN -0.058 nan 8.210 nan 0.000 0.466 199 D N 7.879 128.399 120.400 0.200 0.000 2.433 199 D HA 0.462 5.102 4.640 -0.001 0.000 0.236 199 D C -2.382 173.939 176.300 0.035 0.000 1.026 199 D CA -1.227 52.915 54.000 0.237 0.000 0.884 199 D CB 1.781 42.792 40.800 0.352 0.000 1.384 199 D HN 0.175 nan 8.370 nan 0.000 0.477 200 P HA 0.162 nan 4.420 nan 0.000 0.276 200 P C 0.003 177.089 177.300 -0.357 0.000 1.252 200 P CA -0.383 62.463 63.100 -0.423 0.000 0.802 200 P CB 0.304 31.570 31.700 -0.723 0.000 1.035 201 T N -1.753 112.635 114.554 -0.277 0.000 2.754 201 T HA 0.146 4.495 4.350 -0.001 0.000 0.286 201 T C 1.393 176.139 174.700 0.076 0.000 0.997 201 T CA -0.773 61.288 62.100 -0.064 0.000 0.982 201 T CB 0.189 68.998 68.868 -0.099 0.000 1.027 201 T HN 0.277 nan 8.240 nan 0.000 0.529 202 L N 0.107 121.459 121.223 0.215 0.000 2.265 202 L HA -0.097 4.243 4.340 -0.001 0.000 0.215 202 L C 2.563 179.555 176.870 0.204 0.000 1.117 202 L CA 1.686 56.711 54.840 0.308 0.000 0.782 202 L CB -0.435 41.752 42.059 0.214 0.000 0.914 202 L HN 0.827 nan 8.230 nan 0.000 0.441 203 E N -0.845 119.398 120.200 0.072 0.000 2.060 203 E HA -0.205 4.145 4.350 -0.001 0.000 0.189 203 E C 2.074 178.677 176.600 0.006 0.000 0.974 203 E CA 0.647 57.066 56.400 0.033 0.000 0.808 203 E CB -0.000 29.692 29.700 -0.012 0.000 0.768 203 E HN 0.509 nan 8.360 nan 0.000 0.453 204 Q N -0.128 119.573 119.800 -0.164 0.000 2.152 204 Q HA -0.214 4.126 4.340 -0.001 0.000 0.206 204 Q C 1.770 177.775 176.000 0.008 0.000 0.985 204 Q CA 1.574 57.161 55.803 -0.360 0.000 0.863 204 Q CB -0.217 28.020 28.738 -0.834 0.000 0.904 204 Q HN 0.425 nan 8.270 nan 0.000 0.422 205 W N 0.650 122.016 121.300 0.110 0.000 2.358 205 W HA -0.191 4.468 4.660 -0.001 0.000 0.303 205 W C 2.382 178.992 176.519 0.152 0.000 1.208 205 W CA 0.690 58.164 57.345 0.216 0.000 1.274 205 W CB 0.086 29.669 29.460 0.204 0.000 1.138 205 W HN 0.228 nan 8.180 nan 0.000 0.515 206 Q N -0.850 119.138 119.800 0.314 0.000 2.167 206 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 206 Q C 2.100 178.151 176.000 0.084 0.000 0.970 206 Q CA 1.855 57.741 55.803 0.138 0.000 0.855 206 Q CB -0.252 28.545 28.738 0.099 0.000 0.911 206 Q HN 0.098 nan 8.270 nan 0.000 0.438 207 T N 0.325 114.968 114.554 0.147 0.000 2.851 207 T HA -0.003 4.347 4.350 -0.001 0.000 0.262 207 T C 1.589 176.396 174.700 0.179 0.000 1.043 207 T CA 0.665 62.866 62.100 0.167 0.000 1.140 207 T CB -0.021 69.017 68.868 0.284 0.000 0.872 207 T HN 0.176 nan 8.240 nan 0.000 0.446 208 L N 0.733 122.131 121.223 0.292 0.000 2.275 208 L HA 0.041 4.381 4.340 -0.001 0.000 0.215 208 L C 2.802 179.719 176.870 0.080 0.000 1.119 208 L CA 0.749 55.778 54.840 0.315 0.000 0.790 208 L CB -0.456 41.885 42.059 0.469 0.000 0.919 208 L HN 0.214 nan 8.230 nan 0.000 0.443 209 A N -0.433 122.242 122.820 -0.241 0.000 2.016 209 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 209 A C 2.219 179.611 177.584 -0.319 0.000 1.162 209 A CA 0.893 52.443 52.037 -0.811 0.000 0.662 209 A CB -0.162 18.241 19.000 -0.996 0.000 0.812 209 A HN 0.458 nan 8.150 nan 0.000 0.450 210 Q N -0.382 119.319 119.800 -0.165 0.000 2.062 210 Q HA 0.038 4.377 4.340 -0.001 0.000 0.196 210 Q C 2.060 177.970 176.000 -0.150 0.000 0.967 210 Q CA 1.016 56.733 55.803 -0.143 0.000 0.832 210 Q CB -0.313 28.366 28.738 -0.098 0.000 0.899 210 Q HN 0.588 nan 8.270 nan 0.000 0.442 211 L N 1.221 122.373 121.223 -0.118 0.000 1.997 211 L HA -0.285 4.054 4.340 -0.001 0.000 0.216 211 L C 2.707 179.290 176.870 -0.478 0.000 1.074 211 L CA 1.943 56.651 54.840 -0.219 0.000 0.763 211 L CB -0.614 41.387 42.059 -0.097 0.000 0.890 211 L HN 0.389 nan 8.230 nan 0.000 0.434 212 S N -1.035 114.468 115.700 -0.328 0.000 2.374 212 S HA -0.185 4.285 4.470 -0.001 0.000 0.227 212 S C 1.792 176.261 174.600 -0.218 0.000 1.037 212 S CA 1.599 59.594 58.200 -0.341 0.000 1.024 212 S CB -1.067 62.434 63.200 0.502 0.000 0.861 212 S HN 0.266 nan 8.310 nan 0.000 0.456 213 V N 2.403 122.248 119.914 -0.116 0.000 2.427 213 V HA -0.122 3.997 4.120 -0.001 0.000 0.248 213 V C 2.853 178.818 176.094 -0.214 0.000 1.051 213 V CA 2.050 64.230 62.300 -0.200 0.000 1.048 213 V CB -0.896 30.723 31.823 -0.340 0.000 0.666 213 V HN 0.611 nan 8.190 nan 0.000 0.456 214 E N 0.231 120.281 120.200 -0.250 0.000 2.072 214 E HA -0.189 4.160 4.350 -0.001 0.000 0.190 214 E C 2.132 178.560 176.600 -0.287 0.000 0.982 214 E CA 0.848 57.110 56.400 -0.229 0.000 0.803 214 E CB 0.079 29.657 29.700 -0.204 0.000 0.755 214 E HN 0.407 nan 8.360 nan 0.000 0.453 215 K N -0.534 119.568 120.400 -0.496 0.000 2.228 215 K HA -0.007 4.313 4.320 -0.001 0.000 0.202 215 K C 1.154 177.421 176.600 -0.555 0.000 1.051 215 K CA 0.925 56.809 56.287 -0.672 0.000 0.960 215 K CB 0.260 31.988 32.500 -1.286 0.000 0.743 215 K HN 0.335 nan 8.250 nan 0.000 0.458 216 G N 1.387 109.931 108.800 -0.427 0.000 2.165 216 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.226 216 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.226 216 G C -0.391 174.535 174.900 0.043 0.000 1.035 216 G CA -0.238 44.777 45.100 -0.141 0.000 0.744 216 G HN 0.044 nan 8.290 nan 0.000 0.501 217 W N -0.694 120.669 121.300 0.105 0.000 2.415 217 W HA 0.750 5.409 4.660 -0.001 0.000 0.355 217 W C 0.364 176.974 176.519 0.152 0.000 1.161 217 W CA -1.656 55.749 57.345 0.100 0.000 1.315 217 W CB 0.735 30.234 29.460 0.066 0.000 1.261 217 W HN 0.046 nan 8.180 nan 0.000 0.636 218 L N 4.324 125.774 121.223 0.377 0.000 2.272 218 L HA 0.357 4.697 4.340 -0.001 0.000 0.289 218 L C -2.217 174.800 176.870 0.244 0.000 1.032 218 L CA -1.754 53.250 54.840 0.272 0.000 0.810 218 L CB 1.639 43.826 42.059 0.213 0.000 1.205 218 L HN -0.084 nan 8.230 nan 0.000 0.422 219 P HA 0.312 nan 4.420 nan 0.000 0.290 219 P C -1.142 176.269 177.300 0.184 0.000 1.276 219 P CA -0.333 62.891 63.100 0.208 0.000 0.808 219 P CB 1.547 33.362 31.700 0.192 0.000 0.966 220 L N 4.282 125.559 121.223 0.090 0.000 2.349 220 L HA 0.525 4.864 4.340 -0.001 0.000 0.278 220 L C -1.327 175.563 176.870 0.034 0.000 0.996 220 L CA -0.810 54.094 54.840 0.105 0.000 0.825 220 L CB 0.720 42.816 42.059 0.062 0.000 1.243 220 L HN 0.217 nan 8.230 nan 0.000 0.412 221 F N 2.737 122.703 119.950 0.027 0.000 2.426 221 F HA 0.264 4.790 4.527 -0.001 0.000 0.348 221 F C 0.175 175.980 175.800 0.008 0.000 1.124 221 F CA -0.514 57.478 58.000 -0.014 0.000 1.008 221 F CB 1.453 40.367 39.000 -0.144 0.000 1.139 221 F HN 0.394 nan 8.300 nan 0.000 0.452 222 D N 4.044 124.522 120.400 0.129 0.000 2.339 222 D HA 0.143 4.782 4.640 -0.001 0.000 0.241 222 D C -1.304 175.162 176.300 0.277 0.000 1.183 222 D CA 0.150 54.224 54.000 0.124 0.000 0.859 222 D CB 0.186 40.968 40.800 -0.030 0.000 1.067 222 D HN 0.101 nan 8.370 nan 0.000 0.484 223 F N 3.275 123.287 119.950 0.103 0.000 2.382 223 F HA 0.551 5.078 4.527 -0.001 0.000 0.361 223 F C 0.285 176.099 175.800 0.022 0.000 1.109 223 F CA -1.359 56.696 58.000 0.091 0.000 1.031 223 F CB 1.196 40.200 39.000 0.006 0.000 1.234 223 F HN 0.456 nan 8.300 nan 0.000 0.445 224 A N 4.394 127.373 122.820 0.265 0.000 2.377 224 A HA 0.196 4.515 4.320 -0.001 0.000 0.209 224 A C -0.491 176.952 177.584 -0.235 0.000 1.359 224 A CA 0.151 52.150 52.037 -0.063 0.000 1.026 224 A CB -0.001 18.933 19.000 -0.110 0.000 1.224 224 A HN 0.496 nan 8.150 nan 0.000 0.528 225 Y N 1.232 121.638 120.300 0.176 0.000 2.764 225 Y HA 0.347 4.897 4.550 -0.001 0.000 0.350 225 Y C 0.623 176.689 175.900 0.277 0.000 0.982 225 Y CA -0.422 57.827 58.100 0.248 0.000 1.431 225 Y CB 0.282 38.876 38.460 0.224 0.000 1.326 225 Y HN 0.380 nan 8.280 nan 0.000 0.550 226 Q N 0.878 120.715 119.800 0.062 0.000 2.286 226 Q HA 0.364 4.704 4.340 -0.001 0.000 0.265 226 Q C 0.955 176.987 176.000 0.054 0.000 1.080 226 Q CA 1.011 56.746 55.803 -0.114 0.000 0.906 226 Q CB 0.179 28.529 28.738 -0.646 0.000 1.227 226 Q HN 0.865 nan 8.270 nan 0.000 0.409 227 G N 3.393 112.235 108.800 0.070 0.000 2.211 227 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.201 227 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.201 227 G C 0.115 174.917 174.900 -0.163 0.000 0.997 227 G CA -0.070 44.970 45.100 -0.100 0.000 0.652 227 G HN 0.653 nan 8.290 nan 0.000 0.500 228 F N 1.343 121.349 119.950 0.095 0.000 2.743 228 F HA 0.541 5.068 4.527 -0.001 0.000 0.297 228 F C 2.486 178.340 175.800 0.090 0.000 1.131 228 F CA 1.351 59.411 58.000 0.099 0.000 1.426 228 F CB 0.195 39.307 39.000 0.187 0.000 1.116 228 F HN 0.361 nan 8.300 nan 0.000 0.583 229 A N 0.015 122.988 122.820 0.256 0.000 1.941 229 A HA 0.189 4.509 4.320 -0.001 0.000 0.214 229 A C 2.099 179.762 177.584 0.132 0.000 1.368 229 A CA 0.690 52.850 52.037 0.205 0.000 0.651 229 A CB -0.031 19.119 19.000 0.249 0.000 1.064 229 A HN 0.208 nan 8.150 nan 0.000 0.492 230 R N -2.508 118.060 120.500 0.114 0.000 2.437 230 R HA 0.387 4.726 4.340 -0.001 0.000 0.184 230 R C 0.572 176.885 176.300 0.020 0.000 0.850 230 R CA 0.668 56.810 56.100 0.069 0.000 1.073 230 R CB 1.269 31.621 30.300 0.088 0.000 1.336 230 R HN 0.608 nan 8.270 nan 0.000 0.640 234 E N 1.466 121.682 120.200 0.026 0.000 2.046 234 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 234 E C 1.598 178.230 176.600 0.054 0.000 0.982 234 E CA 1.458 57.881 56.400 0.038 0.000 0.800 234 E CB 0.153 29.870 29.700 0.028 0.000 0.756 234 E HN 0.439 nan 8.360 nan 0.000 0.449 235 E N 1.365 121.597 120.200 0.054 0.000 2.058 235 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 235 E C 1.769 178.435 176.600 0.110 0.000 0.997 235 E CA 1.404 57.848 56.400 0.073 0.000 0.801 235 E CB -0.158 29.585 29.700 0.071 0.000 0.746 235 E HN 0.152 nan 8.360 nan 0.000 0.450 236 D N -0.157 120.327 120.400 0.140 0.000 2.228 236 D HA -0.151 4.489 4.640 -0.001 0.000 0.203 236 D C 1.613 178.081 176.300 0.280 0.000 0.988 236 D CA 1.330 55.471 54.000 0.236 0.000 0.864 236 D CB -0.237 40.723 40.800 0.266 0.000 0.928 236 D HN 0.245 nan 8.370 nan 0.000 0.469 237 A N 0.481 123.420 122.820 0.199 0.000 2.119 237 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 237 A C 1.920 179.450 177.584 -0.091 0.000 1.152 237 A CA 0.620 52.731 52.037 0.124 0.000 0.708 237 A CB -0.258 18.812 19.000 0.117 0.000 0.805 237 A HN 0.147 nan 8.150 nan 0.000 0.460 238 E N -0.258 119.907 120.200 -0.057 0.000 2.095 238 E HA -0.277 4.073 4.350 -0.001 0.000 0.212 238 E C 2.098 178.556 176.600 -0.236 0.000 1.044 238 E CA 1.411 57.762 56.400 -0.083 0.000 0.857 238 E CB -0.498 29.207 29.700 0.009 0.000 0.764 238 E HN 0.612 nan 8.360 nan 0.000 0.462 239 G N 1.421 109.879 108.800 -0.569 0.000 2.446 239 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.217 239 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.217 239 G C 1.511 175.980 174.900 -0.719 0.000 1.168 239 G CA 0.695 45.103 45.100 -1.152 0.000 0.771 239 G HN 0.157 nan 8.290 nan 0.000 0.551 240 L N -0.083 120.607 121.223 -0.890 0.000 1.943 240 L HA -0.123 4.216 4.340 -0.001 0.000 0.215 240 L C 3.169 179.830 176.870 -0.347 0.000 1.074 240 L CA 1.929 56.194 54.840 -0.959 0.000 0.759 240 L CB -0.337 41.154 42.059 -0.947 0.000 0.888 240 L HN 0.171 nan 8.230 nan 0.000 0.433 241 R N -0.321 120.051 120.500 -0.212 0.000 2.139 241 R HA -0.199 4.141 4.340 -0.001 0.000 0.243 241 R C 2.227 178.545 176.300 0.030 0.000 1.145 241 R CA 1.473 57.564 56.100 -0.015 0.000 0.976 241 R CB -0.541 29.760 30.300 0.002 0.000 0.866 241 R HN 0.571 nan 8.270 nan 0.000 0.449 242 A N -0.233 122.592 122.820 0.009 0.000 1.898 242 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 242 A C 1.859 179.502 177.584 0.098 0.000 1.181 242 A CA 1.063 53.136 52.037 0.060 0.000 0.620 242 A CB -0.495 18.562 19.000 0.095 0.000 0.819 242 A HN 0.258 nan 8.150 nan 0.000 0.442 243 F N 0.033 119.989 119.950 0.010 0.000 2.259 243 F HA 0.019 4.545 4.527 -0.001 0.000 0.298 243 F C 2.655 178.589 175.800 0.222 0.000 1.088 243 F CA 0.919 59.016 58.000 0.160 0.000 1.358 243 F CB -0.137 38.903 39.000 0.067 0.000 1.040 243 F HN 0.255 nan 8.300 nan 0.000 0.505 244 A N -0.416 122.569 122.820 0.275 0.000 2.014 244 A HA 0.036 4.356 4.320 -0.001 0.000 0.218 244 A C 2.310 179.977 177.584 0.138 0.000 1.163 244 A CA 1.286 53.459 52.037 0.228 0.000 0.652 244 A CB -1.076 18.084 19.000 0.267 0.000 0.808 244 A HN 0.272 nan 8.150 nan 0.000 0.449 245 A N -0.632 122.248 122.820 0.099 0.000 2.015 245 A HA 0.031 4.350 4.320 -0.001 0.000 0.219 245 A C 2.022 179.605 177.584 -0.001 0.000 1.163 245 A CA 1.577 53.635 52.037 0.035 0.000 0.646 245 A CB -0.386 18.627 19.000 0.021 0.000 0.806 245 A HN 0.535 nan 8.150 nan 0.000 0.448 246 M N -1.811 117.784 119.600 -0.008 0.000 2.331 246 M HA 0.197 4.676 4.480 -0.001 0.000 0.266 246 M C -0.263 175.896 176.300 -0.235 0.000 1.055 246 M CA -0.032 55.183 55.300 -0.143 0.000 1.048 246 M CB 0.200 32.647 32.600 -0.255 0.000 1.460 246 M HN 0.305 nan 8.290 nan 0.000 0.519 247 H N 0.511 119.604 119.070 0.038 0.000 2.487 247 H HA 0.175 4.730 4.556 -0.001 0.000 0.333 247 H C 0.767 176.129 175.328 0.057 0.000 1.114 247 H CA 0.114 56.209 56.048 0.079 0.000 1.310 247 H CB 1.769 31.640 29.762 0.182 0.000 1.462 247 H HN -0.128 nan 8.280 nan 0.000 0.516 248 K N 1.079 121.572 120.400 0.156 0.000 2.211 248 K HA 0.101 4.421 4.320 -0.001 0.000 0.201 248 K C -0.461 176.218 176.600 0.133 0.000 1.052 248 K CA 0.842 57.190 56.287 0.101 0.000 0.973 248 K CB 0.659 33.202 32.500 0.072 0.000 0.766 248 K HN 0.653 nan 8.250 nan 0.000 0.466 249 E N -0.396 119.928 120.200 0.206 0.000 2.292 249 E HA 0.465 4.815 4.350 -0.001 0.000 0.272 249 E C -1.713 175.024 176.600 0.229 0.000 0.881 249 E CA -0.650 55.868 56.400 0.197 0.000 0.754 249 E CB 2.122 31.936 29.700 0.190 0.000 1.201 249 E HN -0.058 nan 8.360 nan 0.000 0.425 250 L N 2.431 123.776 121.223 0.202 0.000 2.600 250 L HA 0.608 4.947 4.340 -0.001 0.000 0.257 250 L C -1.874 175.120 176.870 0.207 0.000 1.048 250 L CA -0.586 54.382 54.840 0.214 0.000 0.869 250 L CB 2.101 44.295 42.059 0.224 0.000 1.482 250 L HN 0.520 nan 8.230 nan 0.000 0.408 251 I N 1.898 122.601 120.570 0.222 0.000 2.644 251 I HA 0.550 4.719 4.170 -0.001 0.000 0.291 251 I C -1.461 174.784 176.117 0.213 0.000 1.180 251 I CA -0.705 60.715 61.300 0.201 0.000 1.040 251 I CB 2.113 40.233 38.000 0.201 0.000 1.255 251 I HN 0.158 nan 8.210 nan 0.000 0.422 252 V N 3.853 123.871 119.914 0.175 0.000 2.577 252 V HA 0.657 4.777 4.120 -0.001 0.000 0.303 252 V C -0.016 176.157 176.094 0.133 0.000 1.042 252 V CA -0.615 61.780 62.300 0.158 0.000 0.872 252 V CB 1.901 33.767 31.823 0.072 0.000 0.998 252 V HN 0.852 nan 8.190 nan 0.000 0.423 253 A N 3.467 126.376 122.820 0.148 0.000 2.316 253 A HA 0.800 5.120 4.320 -0.001 0.000 0.324 253 A C 0.238 177.880 177.584 0.097 0.000 1.375 253 A CA -0.327 51.776 52.037 0.109 0.000 0.882 253 A CB 0.582 19.645 19.000 0.106 0.000 1.152 253 A HN 1.020 nan 8.150 nan 0.000 0.512 254 S N 1.394 117.106 115.700 0.020 0.000 2.681 254 S HA 0.845 5.314 4.470 -0.001 0.000 0.299 254 S C -0.029 174.454 174.600 -0.194 0.000 1.113 254 S CA -0.539 57.606 58.200 -0.092 0.000 1.013 254 S CB 1.736 64.804 63.200 -0.220 0.000 1.076 254 S HN 1.052 nan 8.310 nan 0.000 0.534 255 S N -0.180 115.333 115.700 -0.311 0.000 2.536 255 S HA 0.588 5.057 4.470 -0.001 0.000 0.287 255 S C -1.317 173.045 174.600 -0.397 0.000 1.101 255 S CA -0.606 57.432 58.200 -0.270 0.000 0.950 255 S CB 0.795 63.908 63.200 -0.144 0.000 1.056 255 S HN 0.680 nan 8.310 nan 0.000 0.481 256 Y N 2.037 122.333 120.300 -0.007 0.000 2.507 256 Y HA 0.284 4.834 4.550 -0.001 0.000 0.254 256 Y C 2.206 178.121 175.900 0.025 0.000 1.171 256 Y CA -0.090 58.019 58.100 0.015 0.000 1.238 256 Y CB 0.228 38.607 38.460 -0.135 0.000 1.148 256 Y HN 0.596 nan 8.280 nan 0.000 0.525 257 S N -0.060 115.678 115.700 0.063 0.000 2.383 257 S HA -0.144 4.325 4.470 -0.001 0.000 0.227 257 S C 1.755 176.264 174.600 -0.152 0.000 1.026 257 S CA 1.448 59.620 58.200 -0.046 0.000 0.981 257 S CB 0.049 63.275 63.200 0.044 0.000 0.818 257 S HN 0.366 nan 8.310 nan 0.000 0.472 258 K N 2.071 122.451 120.400 -0.034 0.000 2.063 258 K HA 0.120 4.440 4.320 -0.001 0.000 0.204 258 K C 1.722 178.535 176.600 0.356 0.000 1.039 258 K CA 1.057 57.353 56.287 0.014 0.000 0.957 258 K CB -0.304 31.987 32.500 -0.348 0.000 0.764 258 K HN 0.496 nan 8.250 nan 0.000 0.447 259 N N -0.189 118.842 118.700 0.552 0.000 2.573 259 N HA -0.106 4.634 4.740 -0.001 0.000 0.187 259 N C 0.523 176.220 175.510 0.311 0.000 1.107 259 N CA 0.750 54.073 53.050 0.455 0.000 0.918 259 N CB 0.044 38.748 38.487 0.362 0.000 0.966 259 N HN 0.076 nan 8.380 nan 0.000 0.448 260 F N 0.077 120.166 119.950 0.231 0.000 2.706 260 F HA 0.363 4.889 4.527 -0.001 0.000 0.313 260 F C 1.409 177.203 175.800 -0.011 0.000 1.096 260 F CA -0.241 57.861 58.000 0.170 0.000 1.219 260 F CB 0.644 39.667 39.000 0.038 0.000 1.051 260 F HN 0.058 nan 8.300 nan 0.000 0.568 261 G N 1.477 110.247 108.800 -0.050 0.000 2.395 261 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.300 261 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.300 261 G C 0.358 175.101 174.900 -0.262 0.000 0.998 261 G CA 0.196 45.108 45.100 -0.314 0.000 1.046 261 G HN 0.214 nan 8.290 nan 0.000 0.513 262 L N -0.403 120.649 121.223 -0.285 0.000 2.965 262 L HA 0.348 4.687 4.340 -0.001 0.000 0.254 262 L C 2.009 178.835 176.870 -0.073 0.000 1.220 262 L CA -0.996 53.788 54.840 -0.093 0.000 1.023 262 L CB -1.312 40.735 42.059 -0.019 0.000 1.355 262 L HN 0.410 nan 8.230 nan 0.000 0.545 263 Y N 0.903 121.253 120.300 0.085 0.000 2.064 263 Y HA -0.392 4.157 4.550 -0.001 0.000 0.262 263 Y C 2.064 177.980 175.900 0.027 0.000 1.243 263 Y CA 2.183 60.314 58.100 0.052 0.000 1.096 263 Y CB -0.993 37.496 38.460 0.049 0.000 0.915 263 Y HN 0.536 nan 8.280 nan 0.000 0.505 264 N N -0.374 118.428 118.700 0.170 0.000 2.322 264 N HA -0.040 4.699 4.740 -0.001 0.000 0.194 264 N C 0.777 176.307 175.510 0.033 0.000 1.126 264 N CA 0.561 53.662 53.050 0.084 0.000 0.845 264 N CB -0.276 38.251 38.487 0.067 0.000 0.976 264 N HN 0.427 nan 8.380 nan 0.000 0.475 265 E N 1.038 121.257 120.200 0.030 0.000 2.250 265 E HA 0.049 4.399 4.350 -0.001 0.000 0.192 265 E C -0.162 176.422 176.600 -0.026 0.000 0.986 265 E CA 0.155 56.558 56.400 0.005 0.000 0.849 265 E CB 0.115 29.834 29.700 0.032 0.000 0.797 265 E HN 0.239 nan 8.360 nan 0.000 0.482 266 R N -0.143 120.346 120.500 -0.018 0.000 3.056 266 R HA -0.084 4.256 4.340 -0.001 0.000 0.264 266 R C -0.704 175.560 176.300 -0.059 0.000 1.005 266 R CA 0.286 56.361 56.100 -0.042 0.000 0.665 266 R CB -2.928 27.325 30.300 -0.078 0.000 1.296 266 R HN -0.014 nan 8.270 nan 0.000 0.404 267 V N -0.901 119.006 119.914 -0.012 0.000 2.398 267 V HA 0.977 5.097 4.120 -0.001 0.000 0.286 267 V C 1.052 177.246 176.094 0.167 0.000 1.026 267 V CA 0.025 62.344 62.300 0.032 0.000 0.868 267 V CB 2.088 33.918 31.823 0.012 0.000 0.982 267 V HN 0.664 nan 8.190 nan 0.000 0.443 268 G N 2.267 111.192 108.800 0.209 0.000 2.548 268 G HA2 0.906 4.865 3.960 -0.001 0.000 0.301 268 G HA3 0.906 4.865 3.960 -0.001 0.000 0.301 268 G C -1.407 173.666 174.900 0.288 0.000 1.349 268 G CA -0.127 45.093 45.100 0.199 0.000 0.792 268 G HN 1.415 nan 8.290 nan 0.000 0.481 269 A N -1.689 121.234 122.820 0.172 0.000 2.604 269 A HA 0.650 4.970 4.320 -0.001 0.000 0.295 269 A C -1.185 176.473 177.584 0.123 0.000 1.067 269 A CA -0.142 52.016 52.037 0.201 0.000 0.683 269 A CB 1.416 20.542 19.000 0.209 0.000 1.281 269 A HN 1.996 nan 8.150 nan 0.000 0.407 270 C N 2.012 121.403 119.300 0.151 0.000 2.291 270 C HA 0.730 5.189 4.460 -0.001 0.000 0.322 270 C C 0.096 175.172 174.990 0.143 0.000 1.205 270 C CA -0.003 59.094 59.018 0.131 0.000 1.495 270 C CB -0.908 26.906 27.740 0.124 0.000 2.127 270 C HN 0.756 nan 8.230 nan 0.000 0.452 271 T N 6.815 121.440 114.554 0.118 0.000 2.733 271 T HA 0.328 4.678 4.350 -0.001 0.000 0.294 271 T C -0.266 174.508 174.700 0.122 0.000 0.956 271 T CA 0.042 62.213 62.100 0.118 0.000 0.987 271 T CB 0.657 69.607 68.868 0.137 0.000 0.920 271 T HN 0.647 nan 8.240 nan 0.000 0.470 272 L N 5.460 126.727 121.223 0.075 0.000 2.259 272 L HA 0.571 4.911 4.340 -0.001 0.000 0.288 272 L C 0.011 176.902 176.870 0.035 0.000 1.051 272 L CA -0.586 54.287 54.840 0.055 0.000 0.824 272 L CB 0.633 42.715 42.059 0.039 0.000 1.206 272 L HN 0.439 nan 8.230 nan 0.000 0.429 273 V N 3.967 123.926 119.914 0.076 0.000 2.630 273 V HA 0.986 5.106 4.120 -0.001 0.000 0.305 273 V C -0.234 175.895 176.094 0.058 0.000 1.046 273 V CA 0.147 62.462 62.300 0.025 0.000 0.934 273 V CB 1.615 33.414 31.823 -0.040 0.000 1.003 273 V HN 0.835 nan 8.190 nan 0.000 0.451 274 A N 4.023 126.858 122.820 0.026 0.000 2.525 274 A HA 0.951 5.270 4.320 -0.001 0.000 0.291 274 A C 1.008 178.607 177.584 0.026 0.000 1.268 274 A CA -0.141 51.926 52.037 0.051 0.000 0.712 274 A CB 0.775 19.815 19.000 0.066 0.000 1.320 274 A HN 1.938 nan 8.150 nan 0.000 0.456 275 A N -0.611 122.231 122.820 0.037 0.000 1.873 275 A HA 0.310 4.630 4.320 -0.001 0.000 0.215 275 A C 0.585 178.171 177.584 0.003 0.000 1.186 275 A CA 2.373 54.423 52.037 0.022 0.000 0.616 275 A CB -0.632 18.387 19.000 0.031 0.000 0.823 275 A HN 1.081 nan 8.150 nan 0.000 0.442 276 D N -4.019 116.385 120.400 0.005 0.000 2.626 276 D HA 0.348 4.988 4.640 -0.001 0.000 0.278 276 D C 0.503 176.799 176.300 -0.007 0.000 1.211 276 D CA 0.131 54.128 54.000 -0.005 0.000 0.903 276 D CB 0.639 41.440 40.800 0.001 0.000 1.408 276 D HN -0.060 nan 8.370 nan 0.000 0.454 277 S N -0.863 114.828 115.700 -0.015 0.000 2.419 277 S HA -0.224 4.245 4.470 -0.001 0.000 0.233 277 S C 1.246 175.847 174.600 0.001 0.000 1.016 277 S CA 1.548 59.738 58.200 -0.017 0.000 0.974 277 S CB -0.386 62.801 63.200 -0.023 0.000 0.786 277 S HN 0.502 nan 8.310 nan 0.000 0.492 278 E N -0.063 120.143 120.200 0.011 0.000 2.250 278 E HA -0.026 4.323 4.350 -0.001 0.000 0.192 278 E C 1.621 178.244 176.600 0.039 0.000 0.986 278 E CA 1.085 57.499 56.400 0.024 0.000 0.849 278 E CB -0.140 29.573 29.700 0.021 0.000 0.797 278 E HN 0.635 nan 8.360 nan 0.000 0.482 279 T N 0.765 115.343 114.554 0.039 0.000 2.735 279 T HA -0.092 4.257 4.350 -0.001 0.000 0.256 279 T C 1.934 176.679 174.700 0.076 0.000 1.042 279 T CA 1.093 63.227 62.100 0.058 0.000 1.147 279 T CB -0.503 68.397 68.868 0.053 0.000 0.865 279 T HN 0.024 nan 8.240 nan 0.000 0.421 280 V N 2.178 122.125 119.914 0.055 0.000 2.380 280 V HA -0.252 3.868 4.120 -0.001 0.000 0.251 280 V C 1.961 178.103 176.094 0.080 0.000 1.063 280 V CA 2.189 64.522 62.300 0.055 0.000 1.055 280 V CB -0.651 31.168 31.823 -0.006 0.000 0.657 280 V HN 0.388 nan 8.190 nan 0.000 0.455 281 D N -0.783 119.655 120.400 0.064 0.000 2.144 281 D HA -0.131 4.509 4.640 -0.001 0.000 0.200 281 D C 2.329 178.717 176.300 0.146 0.000 0.978 281 D CA 1.260 55.316 54.000 0.093 0.000 0.833 281 D CB -0.183 40.651 40.800 0.056 0.000 0.961 281 D HN 0.403 nan 8.370 nan 0.000 0.470 282 R N 0.186 120.759 120.500 0.122 0.000 2.057 282 R HA 0.012 4.351 4.340 -0.001 0.000 0.229 282 R C 2.155 178.555 176.300 0.167 0.000 1.136 282 R CA 1.255 57.428 56.100 0.123 0.000 0.952 282 R CB -0.221 30.138 30.300 0.098 0.000 0.848 282 R HN 0.102 nan 8.270 nan 0.000 0.430 283 A N 0.323 123.262 122.820 0.199 0.000 1.917 283 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 283 A C 2.020 179.777 177.584 0.289 0.000 1.182 283 A CA 1.535 53.748 52.037 0.294 0.000 0.633 283 A CB -0.870 18.313 19.000 0.305 0.000 0.819 283 A HN 0.485 nan 8.150 nan 0.000 0.448 284 F N 1.923 121.895 119.950 0.036 0.000 2.171 284 F HA -0.186 4.341 4.527 -0.001 0.000 0.300 284 F C 2.773 178.579 175.800 0.009 0.000 1.090 284 F CA 1.694 59.673 58.000 -0.034 0.000 1.293 284 F CB -0.369 38.613 39.000 -0.029 0.000 1.013 284 F HN 0.346 nan 8.300 nan 0.000 0.486 285 S N -0.901 114.862 115.700 0.105 0.000 2.442 285 S HA -0.200 4.269 4.470 -0.001 0.000 0.236 285 S C 1.842 176.431 174.600 -0.019 0.000 1.007 285 S CA 0.982 59.188 58.200 0.011 0.000 0.965 285 S CB -0.400 62.837 63.200 0.063 0.000 0.773 285 S HN 0.453 nan 8.310 nan 0.000 0.504 286 Q N 0.615 120.456 119.800 0.067 0.000 2.165 286 Q HA 0.218 4.557 4.340 -0.001 0.000 0.197 286 Q C 2.142 178.212 176.000 0.115 0.000 0.952 286 Q CA 1.095 56.977 55.803 0.130 0.000 0.848 286 Q CB -0.520 28.374 28.738 0.260 0.000 0.931 286 Q HN 0.697 nan 8.270 nan 0.000 0.470 287 M N 1.055 120.682 119.600 0.045 0.000 2.082 287 M HA -0.258 4.221 4.480 -0.001 0.000 0.258 287 M C 1.799 177.941 176.300 -0.263 0.000 1.071 287 M CA 1.804 57.001 55.300 -0.173 0.000 1.103 287 M CB -0.031 32.260 32.600 -0.514 0.000 1.307 287 M HN -0.020 nan 8.290 nan 0.000 0.409 288 K N -0.071 120.060 120.400 -0.449 0.000 2.218 288 K HA -0.163 4.157 4.320 -0.001 0.000 0.205 288 K C 1.808 178.283 176.600 -0.209 0.000 1.046 288 K CA 1.424 57.483 56.287 -0.380 0.000 0.933 288 K CB -0.319 31.938 32.500 -0.406 0.000 0.728 288 K HN 0.523 nan 8.250 nan 0.000 0.454 289 A N 0.870 123.611 122.820 -0.133 0.000 2.016 289 A HA 0.072 4.392 4.320 -0.001 0.000 0.217 289 A C 2.238 179.769 177.584 -0.089 0.000 1.162 289 A CA 1.262 53.245 52.037 -0.091 0.000 0.662 289 A CB -0.325 18.648 19.000 -0.045 0.000 0.812 289 A HN 0.298 nan 8.150 nan 0.000 0.450 290 A N 0.390 123.170 122.820 -0.066 0.000 1.854 290 A HA -0.020 4.299 4.320 -0.001 0.000 0.214 290 A C 2.045 179.543 177.584 -0.145 0.000 1.192 290 A CA 1.362 53.367 52.037 -0.053 0.000 0.611 290 A CB -0.630 18.393 19.000 0.038 0.000 0.832 290 A HN 0.434 nan 8.150 nan 0.000 0.442 291 I N -0.492 119.952 120.570 -0.209 0.000 2.091 291 I HA -0.342 3.827 4.170 -0.001 0.000 0.239 291 I C 2.643 178.468 176.117 -0.487 0.000 1.061 291 I CA 2.035 63.090 61.300 -0.408 0.000 1.317 291 I CB -0.312 37.483 38.000 -0.341 0.000 1.031 291 I HN 0.368 nan 8.210 nan 0.000 0.401 292 R N 1.798 122.111 120.500 -0.311 0.000 2.154 292 R HA -0.192 4.148 4.340 -0.001 0.000 0.248 292 R C 1.686 177.863 176.300 -0.205 0.000 1.155 292 R CA 2.066 58.019 56.100 -0.245 0.000 0.979 292 R CB -0.584 29.613 30.300 -0.172 0.000 0.869 292 R HN 0.421 nan 8.270 nan 0.000 0.452 293 A N -0.699 122.017 122.820 -0.175 0.000 2.345 293 A HA 0.183 4.503 4.320 -0.001 0.000 0.225 293 A C 1.190 178.705 177.584 -0.114 0.000 1.243 293 A CA 0.081 52.047 52.037 -0.118 0.000 0.875 293 A CB -0.355 18.598 19.000 -0.078 0.000 0.929 293 A HN 0.437 nan 8.150 nan 0.000 0.502 294 N N -0.275 118.308 118.700 -0.194 0.000 2.378 294 N HA 0.050 4.790 4.740 -0.001 0.000 0.225 294 N C 1.176 176.630 175.510 -0.094 0.000 1.153 294 N CA 1.266 54.232 53.050 -0.139 0.000 1.134 294 N CB -0.302 38.101 38.487 -0.141 0.000 1.490 294 N HN 0.352 nan 8.380 nan 0.000 0.541 295 Y N -1.381 118.908 120.300 -0.018 0.000 2.457 295 Y HA 0.544 5.094 4.550 -0.001 0.000 0.263 295 Y C 1.480 177.370 175.900 -0.017 0.000 1.164 295 Y CA 0.413 58.505 58.100 -0.013 0.000 1.274 295 Y CB -0.040 38.414 38.460 -0.009 0.000 1.097 295 Y HN 0.209 nan 8.280 nan 0.000 0.523 296 S N 0.262 115.778 115.700 -0.307 0.000 1.356 296 S HA -0.263 4.207 4.470 -0.001 0.000 0.247 296 S C -0.295 174.233 174.600 -0.120 0.000 0.644 296 S CA 1.435 59.530 58.200 -0.175 0.000 1.137 296 S CB -1.765 61.381 63.200 -0.089 0.000 1.260 296 S HN 0.975 nan 8.310 nan 0.000 0.500 297 N N 0.498 119.268 118.700 0.117 0.000 3.043 297 N HA 0.637 5.377 4.740 -0.001 0.000 0.243 297 N C -3.532 172.187 175.510 0.348 0.000 1.347 297 N CA -1.389 51.774 53.050 0.188 0.000 0.896 297 N CB 1.356 39.896 38.487 0.089 0.000 1.501 297 N HN 0.239 nan 8.380 nan 0.000 0.504 298 P HA 0.447 nan 4.420 nan 0.000 0.283 298 P C -2.738 174.555 177.300 -0.012 0.000 1.271 298 P CA -1.670 61.456 63.100 0.043 0.000 0.841 298 P CB -0.066 31.624 31.700 -0.018 0.000 1.122 299 P HA 0.145 nan 4.420 nan 0.000 0.275 299 P C 0.529 177.771 177.300 -0.095 0.000 1.276 299 P CA 0.049 63.107 63.100 -0.071 0.000 0.782 299 P CB 0.259 31.906 31.700 -0.088 0.000 0.851 300 A N 3.416 126.198 122.820 -0.063 0.000 1.908 300 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 300 A C 2.051 179.576 177.584 -0.098 0.000 1.181 300 A CA 1.867 53.851 52.037 -0.089 0.000 0.627 300 A CB -1.589 17.380 19.000 -0.053 0.000 0.818 300 A HN 0.611 nan 8.150 nan 0.000 0.445 301 H N -0.617 118.384 119.070 -0.114 0.000 2.296 301 H HA -0.159 4.396 4.556 -0.001 0.000 0.291 301 H C 2.258 177.501 175.328 -0.141 0.000 1.074 301 H CA 2.834 58.819 56.048 -0.105 0.000 1.176 301 H CB -0.649 29.068 29.762 -0.075 0.000 1.357 301 H HN 0.351 nan 8.280 nan 0.000 0.520 302 G N -0.758 108.018 108.800 -0.040 0.000 2.450 302 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.220 302 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.220 302 G C 1.765 176.471 174.900 -0.324 0.000 1.130 302 G CA 0.874 45.887 45.100 -0.146 0.000 0.760 302 G HN 0.651 nan 8.290 nan 0.000 0.557 303 A N 0.189 122.769 122.820 -0.400 0.000 2.016 303 A HA 0.185 4.505 4.320 -0.001 0.000 0.217 303 A C 2.615 179.948 177.584 -0.419 0.000 1.162 303 A CA 1.859 53.516 52.037 -0.633 0.000 0.662 303 A CB -0.423 18.004 19.000 -0.955 0.000 0.812 303 A HN 0.295 nan 8.150 nan 0.000 0.450 304 S N -0.382 115.120 115.700 -0.329 0.000 2.343 304 S HA -0.141 4.328 4.470 -0.001 0.000 0.219 304 S C 1.989 176.424 174.600 -0.275 0.000 1.033 304 S CA 1.495 59.543 58.200 -0.254 0.000 1.014 304 S CB -0.501 62.562 63.200 -0.228 0.000 0.915 304 S HN 0.337 nan 8.310 nan 0.000 0.435 305 V N 1.644 121.360 119.914 -0.330 0.000 2.226 305 V HA -0.264 3.856 4.120 -0.001 0.000 0.254 305 V C 2.338 178.232 176.094 -0.333 0.000 1.065 305 V CA 2.274 64.394 62.300 -0.299 0.000 1.039 305 V CB -1.011 30.646 31.823 -0.277 0.000 0.653 305 V HN 0.365 nan 8.190 nan 0.000 0.450 306 V N 0.011 119.624 119.914 -0.502 0.000 2.252 306 V HA -0.323 3.797 4.120 -0.001 0.000 0.249 306 V C 2.699 178.509 176.094 -0.473 0.000 1.056 306 V CA 2.306 64.140 62.300 -0.776 0.000 1.022 306 V CB -1.306 29.865 31.823 -1.087 0.000 0.641 306 V HN 0.620 nan 8.190 nan 0.000 0.445 307 A N -0.191 122.458 122.820 -0.285 0.000 1.948 307 A HA -0.262 4.058 4.320 -0.001 0.000 0.220 307 A C 2.377 179.840 177.584 -0.202 0.000 1.177 307 A CA 2.722 54.654 52.037 -0.175 0.000 0.636 307 A CB -0.979 17.977 19.000 -0.073 0.000 0.815 307 A HN 0.574 nan 8.150 nan 0.000 0.449 308 T N 0.142 114.556 114.554 -0.233 0.000 2.701 308 T HA -0.069 4.281 4.350 -0.001 0.000 0.263 308 T C 1.823 176.390 174.700 -0.221 0.000 1.040 308 T CA 1.450 63.394 62.100 -0.259 0.000 1.147 308 T CB -0.439 68.233 68.868 -0.326 0.000 0.865 308 T HN 0.385 nan 8.240 nan 0.000 0.426 309 I N 0.997 121.448 120.570 -0.199 0.000 2.194 309 I HA -0.155 4.014 4.170 -0.001 0.000 0.246 309 I C 2.222 178.251 176.117 -0.145 0.000 1.093 309 I CA 1.338 62.555 61.300 -0.140 0.000 1.355 309 I CB -0.397 37.554 38.000 -0.082 0.000 1.046 309 I HN 0.179 nan 8.210 nan 0.000 0.413 310 L N -0.246 120.855 121.223 -0.202 0.000 2.313 310 L HA -0.092 4.247 4.340 -0.001 0.000 0.214 310 L C 2.473 179.280 176.870 -0.106 0.000 1.119 310 L CA 1.231 55.973 54.840 -0.163 0.000 0.809 310 L CB -0.457 41.476 42.059 -0.209 0.000 0.933 310 L HN 0.365 nan 8.230 nan 0.000 0.449 311 S N -1.463 114.164 115.700 -0.121 0.000 2.524 311 S HA -0.017 4.452 4.470 -0.001 0.000 0.216 311 S C 0.806 175.356 174.600 -0.084 0.000 0.987 311 S CA -0.399 57.744 58.200 -0.095 0.000 0.909 311 S CB -0.131 63.006 63.200 -0.105 0.000 0.781 311 S HN 0.406 nan 8.310 nan 0.000 0.521 312 N N 1.202 119.845 118.700 -0.094 0.000 2.417 312 N HA 0.146 4.885 4.740 -0.001 0.000 0.274 312 N C -0.390 175.096 175.510 -0.041 0.000 0.987 312 N CA -0.196 52.807 53.050 -0.079 0.000 0.912 312 N CB 1.598 40.014 38.487 -0.119 0.000 1.177 312 N HN 0.046 nan 8.380 nan 0.000 0.490 313 D N 3.224 123.610 120.400 -0.023 0.000 2.127 313 D HA -0.223 4.416 4.640 -0.001 0.000 0.190 313 D C 1.512 177.817 176.300 0.007 0.000 1.000 313 D CA 1.821 55.820 54.000 -0.003 0.000 0.839 313 D CB -0.086 40.713 40.800 -0.002 0.000 0.955 313 D HN 0.724 nan 8.370 nan 0.000 0.446 314 A N 1.189 124.009 122.820 -0.000 0.000 1.877 314 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 314 A C 2.470 180.064 177.584 0.017 0.000 1.186 314 A CA 0.870 52.912 52.037 0.007 0.000 0.620 314 A CB -0.923 18.079 19.000 0.003 0.000 0.822 314 A HN 0.182 nan 8.150 nan 0.000 0.443 315 L N -0.951 120.274 121.223 0.005 0.000 2.127 315 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 315 L C 2.808 179.719 176.870 0.068 0.000 1.089 315 L CA 1.822 56.672 54.840 0.016 0.000 0.757 315 L CB -0.329 41.710 42.059 -0.032 0.000 0.899 315 L HN 0.577 nan 8.230 nan 0.000 0.434 316 R N 0.149 120.691 120.500 0.070 0.000 2.075 316 R HA -0.082 4.257 4.340 -0.001 0.000 0.226 316 R C 2.337 178.749 176.300 0.187 0.000 1.114 316 R CA 1.248 57.445 56.100 0.162 0.000 0.972 316 R CB -0.305 30.063 30.300 0.113 0.000 0.869 316 R HN 0.218 nan 8.270 nan 0.000 0.437 317 A N 1.132 124.003 122.820 0.085 0.000 1.940 317 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 317 A C 2.136 179.726 177.584 0.010 0.000 1.176 317 A CA 1.633 53.691 52.037 0.035 0.000 0.631 317 A CB -0.575 18.433 19.000 0.013 0.000 0.814 317 A HN 0.419 nan 8.150 nan 0.000 0.446 318 I N -2.600 117.991 120.570 0.036 0.000 2.133 318 I HA -0.238 3.931 4.170 -0.001 0.000 0.238 318 I C 2.385 178.499 176.117 -0.005 0.000 1.074 318 I CA 1.540 62.848 61.300 0.014 0.000 1.342 318 I CB -0.499 37.519 38.000 0.031 0.000 1.053 318 I HN 0.712 nan 8.210 nan 0.000 0.404 319 W N 2.559 123.783 121.300 -0.127 0.000 2.305 319 W HA -0.276 4.383 4.660 -0.001 0.000 0.308 319 W C 2.259 178.632 176.519 -0.242 0.000 1.226 319 W CA 1.872 59.092 57.345 -0.209 0.000 1.253 319 W CB -0.377 28.933 29.460 -0.250 0.000 1.146 319 W HN 0.119 nan 8.180 nan 0.000 0.507 320 E N -0.620 119.309 120.200 -0.452 0.000 2.265 320 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 320 E C 1.996 178.285 176.600 -0.519 0.000 0.996 320 E CA 1.132 57.107 56.400 -0.709 0.000 0.832 320 E CB -0.230 29.253 29.700 -0.361 0.000 0.756 320 E HN 0.224 nan 8.360 nan 0.000 0.491 321 Q N 0.829 120.425 119.800 -0.340 0.000 2.302 321 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 321 Q C 1.378 177.213 176.000 -0.276 0.000 0.936 321 Q CA 1.019 56.673 55.803 -0.249 0.000 0.886 321 Q CB 0.282 28.931 28.738 -0.148 0.000 0.986 321 Q HN 0.323 nan 8.270 nan 0.000 0.487 322 E N -0.391 119.612 120.200 -0.328 0.000 2.152 322 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 322 E C 1.695 178.049 176.600 -0.410 0.000 0.983 322 E CA 0.762 56.983 56.400 -0.299 0.000 0.818 322 E CB 0.033 29.593 29.700 -0.234 0.000 0.758 322 E HN 0.173 nan 8.360 nan 0.000 0.467 323 L N 0.657 121.512 121.223 -0.612 0.000 2.131 323 L HA -0.051 4.288 4.340 -0.001 0.000 0.206 323 L C 2.141 178.686 176.870 -0.543 0.000 1.087 323 L CA 1.614 56.035 54.840 -0.698 0.000 0.767 323 L CB -0.309 41.145 42.059 -1.009 0.000 0.917 323 L HN -0.037 nan 8.230 nan 0.000 0.441 324 T N -0.321 113.969 114.554 -0.440 0.000 2.777 324 T HA -0.134 4.215 4.350 -0.001 0.000 0.266 324 T C 1.394 175.961 174.700 -0.221 0.000 1.040 324 T CA 1.484 63.403 62.100 -0.302 0.000 1.141 324 T CB -0.294 68.430 68.868 -0.241 0.000 0.868 324 T HN 0.405 nan 8.240 nan 0.000 0.444 325 D N 1.318 121.592 120.400 -0.210 0.000 2.097 325 D HA -0.045 4.595 4.640 -0.001 0.000 0.195 325 D C 2.172 178.408 176.300 -0.106 0.000 0.989 325 D CA 1.020 54.945 54.000 -0.126 0.000 0.827 325 D CB -0.373 40.373 40.800 -0.089 0.000 0.966 325 D HN 0.377 nan 8.370 nan 0.000 0.456 326 M N 0.412 119.869 119.600 -0.238 0.000 2.082 326 M HA -0.213 4.267 4.480 -0.001 0.000 0.258 326 M C 2.447 178.729 176.300 -0.031 0.000 1.071 326 M CA 1.497 56.620 55.300 -0.296 0.000 1.103 326 M CB -0.438 31.788 32.600 -0.622 0.000 1.307 326 M HN -0.049 nan 8.290 nan 0.000 0.409 327 R N 0.579 120.985 120.500 -0.156 0.000 2.096 327 R HA -0.226 4.114 4.340 -0.001 0.000 0.240 327 R C 2.022 178.335 176.300 0.021 0.000 1.139 327 R CA 2.153 58.220 56.100 -0.054 0.000 0.952 327 R CB -0.214 29.983 30.300 -0.171 0.000 0.854 327 R HN 0.544 nan 8.270 nan 0.000 0.436 328 Q N -0.482 119.311 119.800 -0.012 0.000 2.083 328 Q HA -0.102 4.238 4.340 -0.001 0.000 0.198 328 Q C 2.296 178.327 176.000 0.052 0.000 0.969 328 Q CA 0.872 56.684 55.803 0.014 0.000 0.838 328 Q CB -0.210 28.521 28.738 -0.011 0.000 0.900 328 Q HN 0.280 nan 8.270 nan 0.000 0.436 329 R N 1.056 121.605 120.500 0.082 0.000 2.103 329 R HA -0.188 4.152 4.340 -0.001 0.000 0.242 329 R C 2.140 178.503 176.300 0.106 0.000 1.142 329 R CA 1.468 57.635 56.100 0.111 0.000 0.960 329 R CB -0.350 30.071 30.300 0.201 0.000 0.858 329 R HN 0.316 nan 8.270 nan 0.000 0.439 330 I N 0.814 121.475 120.570 0.151 0.000 2.142 330 I HA -0.324 3.845 4.170 -0.001 0.000 0.240 330 I C 2.458 178.621 176.117 0.076 0.000 1.078 330 I CA 1.460 62.829 61.300 0.114 0.000 1.343 330 I CB -0.801 37.297 38.000 0.163 0.000 1.046 330 I HN 0.283 nan 8.210 nan 0.000 0.405 331 Q N 0.737 120.584 119.800 0.078 0.000 2.133 331 Q HA -0.265 4.075 4.340 -0.001 0.000 0.208 331 Q C 2.376 178.407 176.000 0.052 0.000 0.991 331 Q CA 1.704 57.545 55.803 0.063 0.000 0.867 331 Q CB -0.372 28.398 28.738 0.054 0.000 0.911 331 Q HN 0.507 nan 8.270 nan 0.000 0.417 332 R N -0.335 120.193 120.500 0.046 0.000 2.115 332 R HA -0.029 4.311 4.340 -0.001 0.000 0.230 332 R C 2.248 178.571 176.300 0.039 0.000 1.111 332 R CA 0.963 57.086 56.100 0.037 0.000 0.976 332 R CB 0.049 30.368 30.300 0.031 0.000 0.870 332 R HN 0.234 nan 8.270 nan 0.000 0.445 333 M N -0.169 119.453 119.600 0.037 0.000 2.229 333 M HA -0.107 4.373 4.480 -0.001 0.000 0.264 333 M C 1.945 178.288 176.300 0.072 0.000 1.063 333 M CA 1.516 56.833 55.300 0.028 0.000 1.114 333 M CB -0.671 31.919 32.600 -0.017 0.000 1.387 333 M HN 0.077 nan 8.290 nan 0.000 0.420 334 R N 0.218 120.766 120.500 0.081 0.000 2.073 334 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 334 R C 2.387 178.749 176.300 0.103 0.000 1.134 334 R CA 1.340 57.514 56.100 0.123 0.000 0.952 334 R CB -0.220 30.139 30.300 0.098 0.000 0.850 334 R HN 0.518 nan 8.270 nan 0.000 0.433 335 Q N 0.741 120.579 119.800 0.063 0.000 2.020 335 Q HA -0.202 4.137 4.340 -0.001 0.000 0.202 335 Q C 2.238 178.258 176.000 0.033 0.000 0.982 335 Q CA 1.161 56.985 55.803 0.035 0.000 0.838 335 Q CB -0.751 28.002 28.738 0.025 0.000 0.899 335 Q HN 0.237 nan 8.270 nan 0.000 0.423 336 L N 0.832 122.084 121.223 0.050 0.000 2.051 336 L HA -0.191 4.148 4.340 -0.001 0.000 0.214 336 L C 2.331 179.248 176.870 0.078 0.000 1.076 336 L CA 1.735 56.605 54.840 0.050 0.000 0.758 336 L CB -0.919 41.167 42.059 0.045 0.000 0.890 336 L HN 0.157 nan 8.230 nan 0.000 0.433 337 F N -0.221 119.690 119.950 -0.065 0.000 2.102 337 F HA -0.175 4.352 4.527 -0.001 0.000 0.298 337 F C 2.470 178.195 175.800 -0.124 0.000 1.105 337 F CA 2.035 59.975 58.000 -0.100 0.000 1.239 337 F CB -0.974 37.963 39.000 -0.105 0.000 0.991 337 F HN 0.069 nan 8.300 nan 0.000 0.474 338 V N -0.243 119.494 119.914 -0.295 0.000 2.548 338 V HA -0.197 3.923 4.120 -0.001 0.000 0.249 338 V C 1.941 177.890 176.094 -0.243 0.000 1.055 338 V CA 2.234 64.287 62.300 -0.411 0.000 1.065 338 V CB -0.998 30.666 31.823 -0.266 0.000 0.681 338 V HN 0.484 nan 8.190 nan 0.000 0.462 339 N N 0.530 119.151 118.700 -0.132 0.000 2.022 339 N HA -0.176 4.563 4.740 -0.001 0.000 0.195 339 N C 1.873 177.331 175.510 -0.087 0.000 1.063 339 N CA 2.234 55.237 53.050 -0.079 0.000 0.851 339 N CB -0.509 37.956 38.487 -0.036 0.000 1.050 339 N HN 0.476 nan 8.380 nan 0.000 0.425 340 T N 1.916 116.431 114.554 -0.066 0.000 2.680 340 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 340 T C 1.842 176.484 174.700 -0.097 0.000 1.033 340 T CA 0.875 62.944 62.100 -0.053 0.000 1.152 340 T CB -0.365 68.497 68.868 -0.010 0.000 0.859 340 T HN 0.077 nan 8.240 nan 0.000 0.452 341 L N 1.165 122.269 121.223 -0.198 0.000 1.990 341 L HA -0.128 4.212 4.340 -0.001 0.000 0.213 341 L C 2.566 179.348 176.870 -0.145 0.000 1.072 341 L CA 1.875 56.552 54.840 -0.272 0.000 0.755 341 L CB -1.254 40.444 42.059 -0.602 0.000 0.889 341 L HN 0.251 nan 8.230 nan 0.000 0.432 342 Q N 0.172 119.904 119.800 -0.113 0.000 1.948 342 Q HA -0.244 4.096 4.340 -0.001 0.000 0.205 342 Q C 1.936 177.914 176.000 -0.037 0.000 0.992 342 Q CA 2.011 57.784 55.803 -0.051 0.000 0.849 342 Q CB -0.648 28.065 28.738 -0.042 0.000 0.918 342 Q HN 0.365 nan 8.270 nan 0.000 0.421 343 E N -0.316 119.862 120.200 -0.037 0.000 2.520 343 E HA -0.035 4.315 4.350 -0.001 0.000 0.201 343 E C 0.406 176.992 176.600 -0.024 0.000 1.122 343 E CA 0.345 56.731 56.400 -0.024 0.000 0.896 343 E CB -0.169 29.520 29.700 -0.017 0.000 0.891 343 E HN 0.305 nan 8.360 nan 0.000 0.533 344 K N -1.627 118.753 120.400 -0.033 0.000 2.387 344 K HA 0.181 4.500 4.320 -0.001 0.000 0.203 344 K C 0.745 177.330 176.600 -0.025 0.000 1.030 344 K CA 0.589 56.858 56.287 -0.031 0.000 1.099 344 K CB 0.517 32.992 32.500 -0.041 0.000 0.863 344 K HN 0.139 nan 8.250 nan 0.000 0.529 345 G N 0.095 108.884 108.800 -0.018 0.000 2.176 345 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.232 345 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.232 345 G C 0.125 175.030 174.900 0.008 0.000 0.986 345 G CA -0.127 44.970 45.100 -0.005 0.000 0.643 345 G HN 0.470 nan 8.290 nan 0.000 0.522 346 A N 0.558 123.384 122.820 0.011 0.000 2.583 346 A HA 0.379 4.698 4.320 -0.001 0.000 0.249 346 A C 1.372 179.007 177.584 0.085 0.000 1.035 346 A CA 1.366 53.446 52.037 0.072 0.000 0.777 346 A CB -0.426 18.652 19.000 0.130 0.000 0.942 346 A HN 0.979 nan 8.150 nan 0.000 0.516 347 N N 3.644 122.395 118.700 0.084 0.000 1.997 347 N HA -0.182 4.557 4.740 -0.001 0.000 0.198 347 N C 0.740 176.269 175.510 0.031 0.000 1.063 347 N CA 1.046 54.125 53.050 0.049 0.000 0.860 347 N CB -0.441 38.070 38.487 0.041 0.000 1.063 347 N HN 0.769 nan 8.380 nan 0.000 0.424 348 R N 1.124 121.629 120.500 0.009 0.000 3.127 348 R HA -0.001 4.339 4.340 -0.001 0.000 0.290 348 R C -0.593 175.630 176.300 -0.130 0.000 1.089 348 R CA 0.242 56.262 56.100 -0.133 0.000 1.188 348 R CB -0.301 29.751 30.300 -0.414 0.000 1.175 348 R HN 0.398 nan 8.270 nan 0.000 0.550 349 D N -0.967 119.305 120.400 -0.214 0.000 2.440 349 D HA 0.207 4.847 4.640 -0.001 0.000 0.239 349 D C -0.647 175.497 176.300 -0.259 0.000 1.084 349 D CA -0.395 53.529 54.000 -0.126 0.000 0.843 349 D CB 0.357 41.139 40.800 -0.029 0.000 1.097 349 D HN 0.333 nan 8.370 nan 0.000 0.531 350 F N 1.678 121.500 119.950 -0.212 0.000 2.693 350 F HA 0.072 4.599 4.527 -0.001 0.000 0.303 350 F C 2.388 177.765 175.800 -0.705 0.000 1.097 350 F CA -0.115 57.547 58.000 -0.563 0.000 1.330 350 F CB 0.172 38.833 39.000 -0.565 0.000 1.067 350 F HN 0.387 nan 8.300 nan 0.000 0.565 351 S N 0.464 116.031 115.700 -0.223 0.000 2.419 351 S HA -0.293 4.177 4.470 -0.001 0.000 0.235 351 S C 1.943 176.457 174.600 -0.143 0.000 1.019 351 S CA 1.206 59.316 58.200 -0.150 0.000 0.982 351 S CB -1.452 61.728 63.200 -0.033 0.000 0.789 351 S HN 0.536 nan 8.310 nan 0.000 0.490 352 F N 1.090 121.044 119.950 0.005 0.000 2.346 352 F HA 0.126 4.652 4.527 -0.001 0.000 0.301 352 F C 1.645 177.492 175.800 0.078 0.000 1.070 352 F CA 0.007 58.027 58.000 0.033 0.000 1.407 352 F CB -0.903 38.085 39.000 -0.020 0.000 1.072 352 F HN 0.157 nan 8.300 nan 0.000 0.543 353 I N 0.274 120.627 120.570 -0.362 0.000 2.614 353 I HA -0.197 3.972 4.170 -0.001 0.000 0.258 353 I C 2.179 178.321 176.117 0.041 0.000 1.189 353 I CA 1.005 62.221 61.300 -0.140 0.000 1.462 353 I CB -0.240 37.586 38.000 -0.290 0.000 1.092 353 I HN 0.184 nan 8.210 nan 0.000 0.442 354 I N 0.621 121.204 120.570 0.023 0.000 2.876 354 I HA -0.185 3.985 4.170 -0.001 0.000 0.264 354 I C 2.089 178.262 176.117 0.093 0.000 1.204 354 I CA 0.740 62.073 61.300 0.056 0.000 1.485 354 I CB -0.055 37.963 38.000 0.030 0.000 1.103 354 I HN 0.197 nan 8.210 nan 0.000 0.446 355 K N 0.942 121.418 120.400 0.127 0.000 2.417 355 K HA 0.138 4.457 4.320 -0.001 0.000 0.196 355 K C 0.082 176.785 176.600 0.171 0.000 1.023 355 K CA -0.128 56.245 56.287 0.143 0.000 1.122 355 K CB 0.191 32.778 32.500 0.146 0.000 0.850 355 K HN 0.314 nan 8.250 nan 0.000 0.521 356 Q N 1.083 120.995 119.800 0.188 0.000 2.193 356 Q HA 0.286 4.625 4.340 -0.001 0.000 0.246 356 Q C -1.046 175.051 176.000 0.162 0.000 0.959 356 Q CA -0.726 55.197 55.803 0.199 0.000 0.904 356 Q CB 1.241 30.125 28.738 0.242 0.000 1.238 356 Q HN 0.209 nan 8.270 nan 0.000 0.469 357 N N -0.533 118.264 118.700 0.161 0.000 2.314 357 N HA 0.713 5.453 4.740 -0.001 0.000 0.304 357 N C -0.505 175.065 175.510 0.099 0.000 1.073 357 N CA -0.266 52.870 53.050 0.143 0.000 0.822 357 N CB 1.919 40.511 38.487 0.174 0.000 1.280 357 N HN 0.793 nan 8.380 nan 0.000 0.489 358 G N 0.328 109.173 108.800 0.076 0.000 2.466 358 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.316 358 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.316 358 G C 0.406 175.230 174.900 -0.127 0.000 1.270 358 G CA -0.530 44.541 45.100 -0.048 0.000 0.982 358 G HN 0.463 nan 8.290 nan 0.000 0.506 359 M N -0.410 118.945 119.600 -0.409 0.000 2.319 359 M HA 0.213 4.692 4.480 -0.001 0.000 0.265 359 M C 0.574 176.560 176.300 -0.523 0.000 1.068 359 M CA 1.379 56.362 55.300 -0.528 0.000 1.118 359 M CB -0.143 31.925 32.600 -0.886 0.000 1.395 359 M HN 0.269 nan 8.290 nan 0.000 0.435 360 F N -0.055 119.846 119.950 -0.082 0.000 2.483 360 F HA 0.456 4.982 4.527 -0.001 0.000 0.329 360 F C 0.555 176.374 175.800 0.033 0.000 1.064 360 F CA -1.326 56.654 58.000 -0.033 0.000 0.986 360 F CB 1.090 40.059 39.000 -0.052 0.000 1.218 360 F HN -0.156 nan 8.300 nan 0.000 0.484 361 S N 0.739 116.624 115.700 0.309 0.000 2.521 361 S HA 0.561 5.030 4.470 -0.001 0.000 0.295 361 S C -1.198 173.639 174.600 0.396 0.000 1.098 361 S CA -0.588 57.801 58.200 0.314 0.000 0.999 361 S CB 1.111 64.483 63.200 0.287 0.000 1.034 361 S HN 0.445 nan 8.310 nan 0.000 0.483 362 F N 4.247 124.327 119.950 0.216 0.000 2.541 362 F HA 0.292 4.818 4.527 -0.001 0.000 0.351 362 F C 1.920 177.915 175.800 0.325 0.000 1.209 362 F CA -1.237 56.858 58.000 0.159 0.000 1.277 362 F CB -0.531 38.454 39.000 -0.026 0.000 1.632 362 F HN 0.905 nan 8.300 nan 0.000 0.619 363 S N 1.744 117.658 115.700 0.356 0.000 2.408 363 S HA -0.228 4.241 4.470 -0.001 0.000 0.241 363 S C 1.711 176.570 174.600 0.432 0.000 1.080 363 S CA 1.368 59.817 58.200 0.415 0.000 1.109 363 S CB -1.134 62.236 63.200 0.283 0.000 0.966 363 S HN 1.511 nan 8.310 nan 0.000 0.449 364 G N 0.330 109.202 108.800 0.121 0.000 2.270 364 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.224 364 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.224 364 G C -0.518 174.423 174.900 0.067 0.000 1.079 364 G CA -0.021 45.118 45.100 0.064 0.000 0.807 364 G HN 0.570 nan 8.290 nan 0.000 0.492 365 L N 0.721 121.949 121.223 0.009 0.000 2.322 365 L HA 0.726 5.065 4.340 -0.001 0.000 0.279 365 L C 1.093 177.949 176.870 -0.022 0.000 1.036 365 L CA -0.199 54.660 54.840 0.032 0.000 0.807 365 L CB 1.659 43.749 42.059 0.051 0.000 1.226 365 L HN 0.157 nan 8.230 nan 0.000 0.433 366 T N 3.408 117.963 114.554 0.003 0.000 2.919 366 T HA 0.090 4.439 4.350 -0.001 0.000 0.302 366 T C 1.339 176.035 174.700 -0.007 0.000 1.031 366 T CA -0.438 61.658 62.100 -0.006 0.000 1.127 366 T CB 0.539 69.412 68.868 0.009 0.000 0.952 366 T HN 0.680 nan 8.240 nan 0.000 0.540 367 K N 3.538 123.931 120.400 -0.012 0.000 2.144 367 K HA -0.258 4.062 4.320 -0.001 0.000 0.209 367 K C 1.300 177.901 176.600 0.002 0.000 1.047 367 K CA 2.012 58.295 56.287 -0.007 0.000 0.927 367 K CB -0.230 32.267 32.500 -0.005 0.000 0.716 367 K HN 0.604 nan 8.250 nan 0.000 0.454 368 E N 1.031 121.236 120.200 0.007 0.000 2.106 368 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 368 E C 2.350 178.967 176.600 0.027 0.000 0.984 368 E CA 1.327 57.736 56.400 0.015 0.000 0.806 368 E CB -0.008 29.701 29.700 0.016 0.000 0.750 368 E HN 0.489 nan 8.360 nan 0.000 0.458 369 Q N 0.097 119.914 119.800 0.028 0.000 2.020 369 Q HA -0.111 4.228 4.340 -0.001 0.000 0.198 369 Q C 2.556 178.577 176.000 0.036 0.000 0.974 369 Q CA 1.618 57.446 55.803 0.041 0.000 0.829 369 Q CB -0.335 28.427 28.738 0.039 0.000 0.894 369 Q HN 0.366 nan 8.270 nan 0.000 0.433 370 V N -0.132 119.792 119.914 0.016 0.000 2.392 370 V HA -0.222 3.897 4.120 -0.001 0.000 0.249 370 V C 1.986 178.076 176.094 -0.007 0.000 1.059 370 V CA 1.488 63.789 62.300 0.002 0.000 1.051 370 V CB -0.608 31.212 31.823 -0.006 0.000 0.658 370 V HN 0.363 nan 8.190 nan 0.000 0.455 371 L N 0.295 121.518 121.223 0.000 0.000 2.083 371 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 371 L C 2.796 179.665 176.870 -0.001 0.000 1.083 371 L CA 2.565 57.400 54.840 -0.009 0.000 0.752 371 L CB -1.063 40.996 42.059 0.000 0.000 0.899 371 L HN 0.490 nan 8.230 nan 0.000 0.433 372 R N -0.591 119.934 120.500 0.042 0.000 2.062 372 R HA -0.110 4.230 4.340 -0.001 0.000 0.229 372 R C 2.452 178.869 176.300 0.196 0.000 1.128 372 R CA 0.868 57.023 56.100 0.092 0.000 0.960 372 R CB -0.149 30.236 30.300 0.141 0.000 0.855 372 R HN 0.312 nan 8.270 nan 0.000 0.432 373 L N 0.734 122.099 121.223 0.237 0.000 2.021 373 L HA -0.285 4.054 4.340 -0.001 0.000 0.215 373 L C 2.977 179.990 176.870 0.237 0.000 1.074 373 L CA 1.762 56.804 54.840 0.336 0.000 0.760 373 L CB -0.582 41.513 42.059 0.059 0.000 0.889 373 L HN 0.318 nan 8.230 nan 0.000 0.433 374 R N 0.175 120.670 120.500 -0.008 0.000 2.080 374 R HA -0.235 4.104 4.340 -0.001 0.000 0.236 374 R C 2.158 178.372 176.300 -0.143 0.000 1.137 374 R CA 2.127 58.097 56.100 -0.217 0.000 0.943 374 R CB -0.105 30.017 30.300 -0.297 0.000 0.846 374 R HN 0.256 nan 8.270 nan 0.000 0.431 375 E N 0.007 120.155 120.200 -0.087 0.000 2.112 375 E HA -0.082 4.268 4.350 -0.001 0.000 0.190 375 E C 1.808 178.313 176.600 -0.159 0.000 0.979 375 E CA 1.086 57.429 56.400 -0.095 0.000 0.814 375 E CB 0.188 29.846 29.700 -0.071 0.000 0.762 375 E HN 0.342 nan 8.360 nan 0.000 0.460 376 E N -1.263 118.779 120.200 -0.264 0.000 2.102 376 E HA -0.028 4.322 4.350 -0.001 0.000 0.190 376 E C 1.015 177.199 176.600 -0.693 0.000 0.971 376 E CA 0.625 56.621 56.400 -0.673 0.000 0.821 376 E CB 0.176 28.991 29.700 -1.475 0.000 0.777 376 E HN 0.301 nan 8.360 nan 0.000 0.460 377 F N -1.267 118.663 119.950 -0.032 0.000 2.720 377 F HA 0.364 4.890 4.527 -0.001 0.000 0.301 377 F C 1.451 177.247 175.800 -0.008 0.000 1.103 377 F CA 0.384 58.374 58.000 -0.018 0.000 1.291 377 F CB 0.727 39.720 39.000 -0.012 0.000 1.086 377 F HN 0.046 nan 8.300 nan 0.000 0.592 378 G N 0.860 109.727 108.800 0.110 0.000 2.141 378 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.242 378 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.242 378 G C -0.207 174.824 174.900 0.218 0.000 0.982 378 G CA 0.062 45.245 45.100 0.138 0.000 0.662 378 G HN 0.188 nan 8.290 nan 0.000 0.527 379 V N 1.267 121.244 119.914 0.106 0.000 2.333 379 V HA 0.497 4.616 4.120 -0.001 0.000 0.274 379 V C -0.118 175.954 176.094 -0.037 0.000 1.028 379 V CA -0.971 61.403 62.300 0.123 0.000 0.851 379 V CB 0.730 32.594 31.823 0.069 0.000 1.000 379 V HN 0.232 nan 8.190 nan 0.000 0.456 380 Y N 3.585 123.974 120.300 0.149 0.000 2.383 380 Y HA 0.651 5.200 4.550 -0.001 0.000 0.344 380 Y C 0.557 176.476 175.900 0.031 0.000 0.986 380 Y CA -0.164 58.002 58.100 0.110 0.000 1.175 380 Y CB 1.244 39.794 38.460 0.150 0.000 1.152 380 Y HN 0.721 nan 8.280 nan 0.000 0.511 381 A N 2.556 125.427 122.820 0.085 0.000 2.475 381 A HA 0.751 5.071 4.320 -0.001 0.000 0.301 381 A C -0.986 176.627 177.584 0.049 0.000 1.059 381 A CA -0.845 51.226 52.037 0.058 0.000 0.710 381 A CB 0.792 19.805 19.000 0.022 0.000 1.288 381 A HN 0.432 nan 8.150 nan 0.000 0.408 382 V N 1.236 121.173 119.914 0.039 0.000 2.999 382 V HA 0.244 4.364 4.120 -0.001 0.000 0.307 382 V C 1.763 177.863 176.094 0.009 0.000 1.084 382 V CA 0.769 63.079 62.300 0.017 0.000 1.155 382 V CB 0.993 32.805 31.823 -0.019 0.000 0.975 382 V HN 1.304 nan 8.190 nan 0.000 0.490 383 A N 2.616 125.438 122.820 0.004 0.000 2.248 383 A HA -0.027 4.293 4.320 -0.001 0.000 0.210 383 A C 1.979 179.555 177.584 -0.012 0.000 1.174 383 A CA 1.180 53.216 52.037 -0.002 0.000 0.750 383 A CB -0.469 18.532 19.000 0.002 0.000 0.780 383 A HN 1.057 nan 8.150 nan 0.000 0.478 384 S N -2.699 112.998 115.700 -0.006 0.000 2.540 384 S HA 0.421 4.890 4.470 -0.001 0.000 0.218 384 S C 1.250 175.748 174.600 -0.169 0.000 0.977 384 S CA 0.855 59.040 58.200 -0.025 0.000 0.918 384 S CB 0.005 63.277 63.200 0.120 0.000 0.806 384 S HN 1.770 nan 8.310 nan 0.000 0.496 385 G N 1.671 110.419 108.800 -0.087 0.000 2.131 385 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.223 385 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.223 385 G C -0.035 174.866 174.900 0.001 0.000 0.990 385 G CA -0.108 44.932 45.100 -0.100 0.000 0.671 385 G HN 0.663 nan 8.290 nan 0.000 0.521 386 R N 0.580 121.140 120.500 0.101 0.000 2.216 386 R HA 0.520 4.859 4.340 -0.001 0.000 0.332 386 R C 0.470 176.848 176.300 0.129 0.000 1.056 386 R CA 0.141 56.356 56.100 0.191 0.000 0.901 386 R CB 0.723 31.083 30.300 0.101 0.000 1.039 386 R HN 0.565 nan 8.270 nan 0.000 0.456 387 V N 1.719 121.736 119.914 0.171 0.000 2.547 387 V HA 0.371 4.491 4.120 -0.001 0.000 0.299 387 V C -0.122 176.075 176.094 0.171 0.000 1.040 387 V CA -1.007 61.356 62.300 0.105 0.000 0.913 387 V CB 1.658 33.472 31.823 -0.014 0.000 0.992 387 V HN 0.824 nan 8.190 nan 0.000 0.449 388 N N 2.654 121.408 118.700 0.092 0.000 2.521 388 N HA 0.289 5.029 4.740 -0.001 0.000 0.236 388 N C 0.796 176.221 175.510 -0.142 0.000 1.067 388 N CA -0.437 52.616 53.050 0.004 0.000 0.939 388 N CB 1.510 39.983 38.487 -0.023 0.000 1.201 388 N HN 0.637 nan 8.380 nan 0.000 0.511 389 V N 3.563 123.382 119.914 -0.159 0.000 2.343 389 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 389 V C 2.347 178.336 176.094 -0.175 0.000 1.051 389 V CA 2.189 64.377 62.300 -0.187 0.000 1.036 389 V CB -0.708 31.050 31.823 -0.108 0.000 0.654 389 V HN 0.821 nan 8.190 nan 0.000 0.451 390 A N 0.380 123.095 122.820 -0.174 0.000 2.076 390 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 390 A C 2.194 179.620 177.584 -0.263 0.000 1.160 390 A CA 1.741 53.672 52.037 -0.176 0.000 0.653 390 A CB -0.818 18.133 19.000 -0.082 0.000 0.801 390 A HN 0.584 nan 8.150 nan 0.000 0.455 391 G N -1.606 107.060 108.800 -0.225 0.000 2.985 391 G HA2 0.312 4.271 3.960 -0.001 0.000 0.209 391 G HA3 0.312 4.271 3.960 -0.001 0.000 0.209 391 G C 0.553 175.339 174.900 -0.190 0.000 1.165 391 G CA -0.297 44.673 45.100 -0.217 0.000 0.776 391 G HN 0.455 nan 8.290 nan 0.000 0.541 392 M N 1.939 121.423 119.600 -0.193 0.000 2.211 392 M HA 0.374 4.854 4.480 -0.001 0.000 0.356 392 M C 0.247 176.468 176.300 -0.132 0.000 1.216 392 M CA 0.020 55.218 55.300 -0.170 0.000 1.134 392 M CB 1.548 34.019 32.600 -0.214 0.000 1.564 392 M HN 0.117 nan 8.290 nan 0.000 0.463 393 T N -0.528 113.969 114.554 -0.096 0.000 2.906 393 T HA 0.523 4.872 4.350 -0.001 0.000 0.295 393 T C -2.414 172.262 174.700 -0.041 0.000 1.061 393 T CA -1.807 60.252 62.100 -0.069 0.000 1.000 393 T CB 1.793 70.623 68.868 -0.064 0.000 1.103 393 T HN 0.332 nan 8.240 nan 0.000 0.486 394 P HA -0.048 nan 4.420 nan 0.000 0.218 394 P C 0.832 178.127 177.300 -0.008 0.000 1.148 394 P CA 1.096 64.190 63.100 -0.011 0.000 0.822 394 P CB 0.011 31.708 31.700 -0.005 0.000 0.784 395 D N -0.703 119.691 120.400 -0.010 0.000 2.317 395 D HA -0.074 4.565 4.640 -0.001 0.000 0.211 395 D C 1.193 177.491 176.300 -0.003 0.000 0.966 395 D CA 0.831 54.828 54.000 -0.004 0.000 0.876 395 D CB -0.182 40.617 40.800 -0.003 0.000 0.927 395 D HN 0.381 nan 8.370 nan 0.000 0.519 396 N N 0.243 118.937 118.700 -0.010 0.000 2.273 396 N HA -0.049 4.690 4.740 -0.001 0.000 0.192 396 N C 1.582 177.085 175.510 -0.012 0.000 1.132 396 N CA -0.016 53.030 53.050 -0.008 0.000 0.887 396 N CB -0.403 38.078 38.487 -0.010 0.000 1.048 396 N HN -0.099 nan 8.380 nan 0.000 0.490 397 M N 1.089 120.681 119.600 -0.013 0.000 2.143 397 M HA -0.057 4.422 4.480 -0.001 0.000 0.258 397 M C 1.742 178.052 176.300 0.017 0.000 1.071 397 M CA 1.643 56.944 55.300 0.001 0.000 1.088 397 M CB -0.427 32.182 32.600 0.015 0.000 1.360 397 M HN 0.365 nan 8.290 nan 0.000 0.404 398 A N -0.314 122.512 122.820 0.009 0.000 1.861 398 A HA 0.070 4.390 4.320 -0.001 0.000 0.212 398 A C -0.354 177.231 177.584 0.003 0.000 1.199 398 A CA 0.892 52.933 52.037 0.007 0.000 0.613 398 A CB -2.001 17.002 19.000 0.006 0.000 0.846 398 A HN 0.440 nan 8.150 nan 0.000 0.446 399 P HA -0.108 nan 4.420 nan 0.000 0.220 399 P C 1.673 178.972 177.300 -0.001 0.000 1.148 399 P CA 0.865 63.973 63.100 0.013 0.000 0.803 399 P CB -0.159 31.559 31.700 0.030 0.000 0.782 400 L N -0.175 121.046 121.223 -0.004 0.000 1.994 400 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 400 L C 2.179 179.031 176.870 -0.030 0.000 1.071 400 L CA 2.106 56.934 54.840 -0.020 0.000 0.745 400 L CB -1.464 40.573 42.059 -0.036 0.000 0.892 400 L HN -0.089 nan 8.230 nan 0.000 0.431 401 C N 0.306 119.606 119.300 0.001 0.000 2.419 401 C HA -0.095 4.364 4.460 -0.001 0.000 0.281 401 C C 2.574 177.519 174.990 -0.075 0.000 1.336 401 C CA 0.958 59.968 59.018 -0.014 0.000 1.770 401 C CB -1.136 26.601 27.740 -0.005 0.000 1.929 401 C HN 0.624 nan 8.230 nan 0.000 0.509 402 E N 0.907 121.065 120.200 -0.070 0.000 2.107 402 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 402 E C 2.396 178.885 176.600 -0.185 0.000 0.982 402 E CA 1.135 57.483 56.400 -0.086 0.000 0.809 402 E CB -0.211 29.466 29.700 -0.038 0.000 0.756 402 E HN 0.677 nan 8.360 nan 0.000 0.459 403 A N 1.851 124.524 122.820 -0.246 0.000 1.845 403 A HA -0.182 4.137 4.320 -0.001 0.000 0.215 403 A C 2.217 179.434 177.584 -0.612 0.000 1.195 403 A CA 1.070 52.753 52.037 -0.590 0.000 0.616 403 A CB -0.754 17.999 19.000 -0.412 0.000 0.832 403 A HN 0.103 nan 8.150 nan 0.000 0.443 404 I N -0.094 120.283 120.570 -0.322 0.000 2.087 404 I HA -0.245 3.924 4.170 -0.001 0.000 0.240 404 I C 1.400 177.408 176.117 -0.183 0.000 1.054 404 I CA 0.930 62.104 61.300 -0.211 0.000 1.311 404 I CB -0.752 37.169 38.000 -0.132 0.000 1.024 404 I HN 0.134 nan 8.210 nan 0.000 0.402 408 V N -1.663 118.202 119.914 -0.081 0.000 3.645 408 V HA 0.460 4.580 4.120 -0.001 0.000 0.275 408 V C 0.979 177.091 176.094 0.029 0.000 1.356 408 V CA -0.147 62.153 62.300 0.001 0.000 1.051 408 V CB -0.576 31.251 31.823 0.007 0.000 0.828 408 V HN 0.323 nan 8.190 nan 0.000 0.441 409 L N 0.000 121.240 121.223 0.028 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 409 L CA 0.000 54.877 54.840 0.061 0.000 0.813 409 L CB 0.000 42.108 42.059 0.082 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502