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 2x3h_1_C DATA FIRST_RESID 7 DATA SEQUENCE PKTEGILHKG QSLYEYLDAR VLTSKPFGAA GDATTDDTEV IAASLNSQKA DATA SEQUENCE VTISDGVFSS SGINSNYCNL DGRGSGVLSH RSSTGNYLVF NNPRTGRLSN DATA SEQUENCE ITVESNKATD TTQGQQVSLA GGSDVTVSDV NFSNVKGTGF SLIAYPNDAP DATA SEQUENCE PDGLMIKGIR GSYSGYATNK AAGCVLADSS VNSLIDNVIA KNYPQFGAVE DATA SEQUENCE LKGTASYNIV SNVIGADCQH VTYNGTEGPI APSNNLIKGV MANNPKYAAV DATA SEQUENCE VAGKGSTNLI SDVLVDYSTS DARQAHGVTV EGSDNVINNV LMSGCDGTNS DATA SEQUENCE LGQRQTATIA RFIGTANNNY ASVFPSYSAT GVITFESGST RNFVEVKHPG DATA SEQUENCE RRNDLLSSAS TIDGAATIDG TSNSNVVHAP ALGQYIGSMS GRFEWRIKSM DATA SEQUENCE SLPSGVLTSA DKYRMLGDGA VSLAVGGGTS SQVRLFTSDG TSRTVSLTNG DATA SEQUENCE NVRLSTSSTG YLQLGADAMT PDSTGTYALG SASRAWSGGF TQAAFTVT 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.321 177.300 0.035 0.000 1.155 7 P CA 0.000 63.115 63.100 0.025 0.000 0.800 7 P CB 0.000 31.715 31.700 0.024 0.000 0.726 8 K N -0.380 120.043 120.400 0.039 0.000 2.328 8 K HA 0.531 4.851 4.320 -0.000 0.000 0.246 8 K C 0.976 177.621 176.600 0.075 0.000 0.955 8 K CA -0.494 55.828 56.287 0.057 0.000 0.817 8 K CB 1.915 34.445 32.500 0.051 0.000 1.208 8 K HN 0.639 nan 8.250 nan 0.000 0.432 9 T N -2.249 112.372 114.554 0.113 0.000 2.803 9 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 9 T C 1.502 176.303 174.700 0.168 0.000 1.052 9 T CA 1.374 63.558 62.100 0.140 0.000 1.136 9 T CB -0.097 68.861 68.868 0.151 0.000 0.864 9 T HN 0.711 nan 8.240 nan 0.000 0.467 10 E N 1.459 121.749 120.200 0.150 0.000 2.265 10 E HA -0.037 4.313 4.350 -0.000 0.000 0.196 10 E C 1.894 178.501 176.600 0.012 0.000 0.996 10 E CA 0.883 57.295 56.400 0.020 0.000 0.832 10 E CB -0.520 29.086 29.700 -0.157 0.000 0.756 10 E HN 0.709 nan 8.360 nan 0.000 0.491 11 G N 0.194 109.010 108.800 0.027 0.000 3.502 11 G HA2 0.265 4.225 3.960 -0.000 0.000 0.267 11 G HA3 0.265 4.225 3.960 -0.000 0.000 0.267 11 G C 0.156 175.073 174.900 0.028 0.000 1.090 11 G CA -0.344 44.766 45.100 0.017 0.000 0.795 11 G HN 0.011 nan 8.290 nan 0.000 0.535 12 I N 0.661 121.258 120.570 0.045 0.000 2.569 12 I HA 0.430 4.600 4.170 -0.000 0.000 0.296 12 I C -0.614 175.535 176.117 0.054 0.000 1.028 12 I CA -0.891 60.437 61.300 0.045 0.000 1.082 12 I CB 2.597 40.627 38.000 0.049 0.000 1.264 12 I HN -0.202 nan 8.210 nan 0.000 0.429 13 L N 4.489 125.738 121.223 0.045 0.000 2.325 13 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 13 L C -0.912 176.000 176.870 0.070 0.000 1.023 13 L CA -0.737 54.131 54.840 0.045 0.000 0.811 13 L CB 1.482 43.550 42.059 0.016 0.000 1.249 13 L HN 0.537 nan 8.230 nan 0.000 0.431 14 H N 3.335 122.361 119.070 -0.073 0.000 2.658 14 H HA 0.276 4.832 4.556 -0.000 0.000 0.337 14 H C -0.540 174.704 175.328 -0.139 0.000 1.009 14 H CA -1.012 54.948 56.048 -0.147 0.000 1.231 14 H CB 0.939 30.527 29.762 -0.291 0.000 1.508 14 H HN 0.474 nan 8.280 nan 0.000 0.517 15 K N 3.894 123.993 120.400 -0.502 0.000 3.012 15 K HA -0.240 4.080 4.320 -0.000 0.000 0.259 15 K C 0.855 177.343 176.600 -0.187 0.000 0.989 15 K CA 0.921 56.977 56.287 -0.385 0.000 0.728 15 K CB -1.544 30.638 32.500 -0.530 0.000 1.260 15 K HN 1.161 nan 8.250 nan 0.000 0.480 16 G N -0.559 108.174 108.800 -0.113 0.000 2.179 16 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 16 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 16 G C -0.065 174.818 174.900 -0.030 0.000 0.977 16 G CA 0.881 45.947 45.100 -0.057 0.000 0.641 16 G HN 0.452 nan 8.290 nan 0.000 0.533 17 Q N -0.385 119.400 119.800 -0.024 0.000 2.416 17 Q HA 0.646 4.986 4.340 -0.000 0.000 0.279 17 Q C 0.172 176.207 176.000 0.058 0.000 1.101 17 Q CA -0.301 55.514 55.803 0.019 0.000 0.830 17 Q CB 1.745 30.501 28.738 0.030 0.000 1.402 17 Q HN 0.314 nan 8.270 nan 0.000 0.445 18 S N 0.788 116.536 115.700 0.081 0.000 2.546 18 S HA -0.043 4.426 4.470 -0.000 0.000 0.290 18 S C 0.843 175.545 174.600 0.170 0.000 1.262 18 S CA -0.291 57.976 58.200 0.113 0.000 1.083 18 S CB 0.188 63.459 63.200 0.117 0.000 0.859 18 S HN 0.586 nan 8.310 nan 0.000 0.495 19 L N 7.128 128.446 121.223 0.159 0.000 2.083 19 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 19 L C 1.775 178.774 176.870 0.216 0.000 1.083 19 L CA 1.981 56.927 54.840 0.177 0.000 0.752 19 L CB -1.181 40.942 42.059 0.107 0.000 0.899 19 L HN 0.945 nan 8.230 nan 0.000 0.433 20 Y N 0.512 120.851 120.300 0.065 0.000 2.114 20 Y HA -0.341 4.209 4.550 -0.000 0.000 0.282 20 Y C 2.669 178.588 175.900 0.033 0.000 1.165 20 Y CA 2.344 60.461 58.100 0.027 0.000 1.148 20 Y CB -0.106 38.351 38.460 -0.004 0.000 0.972 20 Y HN 0.452 nan 8.280 nan 0.000 0.504 21 E N -1.113 119.285 120.200 0.330 0.000 2.106 21 E HA -0.296 4.053 4.350 -0.000 0.000 0.192 21 E C 2.091 178.769 176.600 0.130 0.000 0.984 21 E CA 1.245 57.776 56.400 0.217 0.000 0.806 21 E CB -0.546 29.269 29.700 0.191 0.000 0.750 21 E HN 0.712 nan 8.360 nan 0.000 0.458 22 Y N 0.920 121.248 120.300 0.047 0.000 2.145 22 Y HA -0.200 4.350 4.550 -0.000 0.000 0.286 22 Y C 1.820 177.706 175.900 -0.024 0.000 1.145 22 Y CA 1.721 59.841 58.100 0.033 0.000 1.148 22 Y CB -0.065 38.445 38.460 0.083 0.000 0.981 22 Y HN 0.026 nan 8.280 nan 0.000 0.507 23 L N -0.199 120.994 121.223 -0.050 0.000 2.156 23 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 23 L C 1.860 178.590 176.870 -0.233 0.000 1.095 23 L CA 1.667 56.395 54.840 -0.186 0.000 0.770 23 L CB -0.417 41.573 42.059 -0.116 0.000 0.914 23 L HN 0.240 nan 8.230 nan 0.000 0.439 24 D N -0.509 119.738 120.400 -0.254 0.000 2.240 24 D HA -0.024 4.616 4.640 -0.000 0.000 0.206 24 D C 1.815 178.029 176.300 -0.144 0.000 0.963 24 D CA 1.016 54.858 54.000 -0.263 0.000 0.863 24 D CB 0.375 40.945 40.800 -0.383 0.000 0.973 24 D HN 0.194 nan 8.370 nan 0.000 0.501 25 A N -1.003 121.751 122.820 -0.111 0.000 2.211 25 A HA 0.322 4.642 4.320 -0.000 0.000 0.208 25 A C 1.949 179.477 177.584 -0.093 0.000 1.250 25 A CA 0.042 52.037 52.037 -0.071 0.000 0.935 25 A CB 0.216 19.204 19.000 -0.019 0.000 0.982 25 A HN 0.059 nan 8.150 nan 0.000 0.490 26 R N -0.136 120.266 120.500 -0.163 0.000 2.194 26 R HA 0.163 4.502 4.340 -0.000 0.000 0.194 26 R C 0.648 176.788 176.300 -0.267 0.000 0.985 26 R CA 1.075 57.062 56.100 -0.187 0.000 1.104 26 R CB -0.211 29.995 30.300 -0.156 0.000 1.092 26 R HN 0.367 nan 8.270 nan 0.000 0.555 27 V N 1.026 120.688 119.914 -0.421 0.000 2.924 27 V HA 0.334 4.453 4.120 -0.000 0.000 0.305 27 V C 0.262 176.248 176.094 -0.179 0.000 1.073 27 V CA -0.822 61.270 62.300 -0.346 0.000 1.098 27 V CB 0.690 32.261 31.823 -0.418 0.000 1.000 27 V HN 0.074 nan 8.190 nan 0.000 0.484 28 L N 4.449 125.601 121.223 -0.119 0.000 2.349 28 L HA 0.545 4.885 4.340 -0.000 0.000 0.275 28 L C 0.712 177.546 176.870 -0.059 0.000 1.115 28 L CA -0.025 54.770 54.840 -0.074 0.000 0.820 28 L CB 1.380 43.408 42.059 -0.051 0.000 1.135 28 L HN 1.061 nan 8.230 nan 0.000 0.445 29 T N -2.485 112.043 114.554 -0.042 0.000 2.930 29 T HA 0.271 4.621 4.350 -0.000 0.000 0.290 29 T C 0.850 175.543 174.700 -0.012 0.000 1.052 29 T CA -0.238 61.849 62.100 -0.021 0.000 1.017 29 T CB 1.771 70.636 68.868 -0.005 0.000 1.137 29 T HN 0.587 nan 8.240 nan 0.000 0.511 30 S N 0.051 115.754 115.700 0.005 0.000 2.461 30 S HA 0.112 4.582 4.470 -0.000 0.000 0.228 30 S C 0.553 175.167 174.600 0.023 0.000 1.005 30 S CA 0.123 58.334 58.200 0.018 0.000 0.942 30 S CB -0.748 62.474 63.200 0.036 0.000 0.776 30 S HN 1.030 nan 8.310 nan 0.000 0.514 31 K N -0.359 120.056 120.400 0.025 0.000 2.575 31 K HA 0.618 4.938 4.320 -0.000 0.000 0.279 31 K C -3.714 172.892 176.600 0.010 0.000 0.969 31 K CA -2.261 54.032 56.287 0.009 0.000 0.868 31 K CB 0.405 33.002 32.500 0.161 0.000 1.457 31 K HN -0.193 nan 8.250 nan 0.000 0.426 32 P HA 0.047 nan 4.420 nan 0.000 0.268 32 P C -0.941 176.409 177.300 0.083 0.000 1.205 32 P CA -0.198 62.923 63.100 0.036 0.000 0.771 32 P CB 0.197 31.905 31.700 0.012 0.000 0.858 33 F N 2.243 122.190 119.950 -0.005 0.000 2.578 33 F HA 0.304 4.831 4.527 -0.000 0.000 0.376 33 F C 1.574 177.388 175.800 0.024 0.000 1.085 33 F CA 1.947 59.948 58.000 0.001 0.000 1.260 33 F CB 0.015 38.999 39.000 -0.028 0.000 1.095 33 F HN 0.665 nan 8.300 nan 0.000 0.573 34 G N 3.288 111.832 108.800 -0.426 0.000 2.213 34 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.236 34 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.236 34 G C 0.059 174.928 174.900 -0.053 0.000 0.991 34 G CA -0.153 44.855 45.100 -0.153 0.000 0.629 34 G HN 1.278 nan 8.290 nan 0.000 0.517 35 A N 0.325 123.142 122.820 -0.005 0.000 2.366 35 A HA 0.865 5.185 4.320 -0.000 0.000 0.272 35 A C 1.414 179.041 177.584 0.073 0.000 1.135 35 A CA 0.914 53.023 52.037 0.119 0.000 0.804 35 A CB 0.978 20.132 19.000 0.256 0.000 1.064 35 A HN 1.660 nan 8.150 nan 0.000 0.499 36 A N 2.284 125.124 122.820 0.032 0.000 1.887 36 A HA 0.428 4.748 4.320 -0.000 0.000 0.212 36 A C 1.863 179.309 177.584 -0.230 0.000 1.198 36 A CA 1.240 53.228 52.037 -0.082 0.000 0.628 36 A CB -0.972 17.980 19.000 -0.079 0.000 0.847 36 A HN 2.583 nan 8.150 nan 0.000 0.449 37 G N 0.614 109.125 108.800 -0.482 0.000 2.249 37 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 37 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 37 G C 0.034 174.563 174.900 -0.619 0.000 1.036 37 G CA 1.000 45.347 45.100 -1.254 0.000 0.824 37 G HN 0.880 nan 8.290 nan 0.000 0.504 38 D N -1.861 118.334 120.400 -0.341 0.000 2.440 38 D HA 0.496 5.135 4.640 -0.000 0.000 0.216 38 D C 1.557 177.770 176.300 -0.145 0.000 1.150 38 D CA 0.588 54.466 54.000 -0.203 0.000 0.832 38 D CB -0.261 40.457 40.800 -0.137 0.000 0.992 38 D HN 1.493 nan 8.370 nan 0.000 0.502 39 A N -0.436 122.292 122.820 -0.154 0.000 3.396 39 A HA -0.284 4.036 4.320 -0.000 0.000 0.267 39 A C 1.686 179.239 177.584 -0.052 0.000 1.139 39 A CA 2.409 54.395 52.037 -0.084 0.000 1.115 39 A CB -2.486 16.473 19.000 -0.069 0.000 1.133 39 A HN 0.717 nan 8.150 nan 0.000 0.920 40 T N -5.271 109.250 114.554 -0.056 0.000 3.115 40 T HA 0.335 4.685 4.350 -0.000 0.000 0.256 40 T C 0.761 175.446 174.700 -0.025 0.000 0.970 40 T CA 1.044 63.122 62.100 -0.037 0.000 1.010 40 T CB -0.222 68.624 68.868 -0.038 0.000 1.151 40 T HN 0.712 nan 8.240 nan 0.000 0.479 41 T N 3.824 118.360 114.554 -0.030 0.000 2.928 41 T HA 0.225 4.575 4.350 -0.000 0.000 0.305 41 T C -0.328 174.378 174.700 0.011 0.000 1.035 41 T CA -0.029 62.063 62.100 -0.013 0.000 1.145 41 T CB 0.526 69.382 68.868 -0.021 0.000 0.963 41 T HN 0.282 nan 8.240 nan 0.000 0.545 42 D N 2.089 122.502 120.400 0.023 0.000 2.348 42 D HA 0.040 4.680 4.640 -0.000 0.000 0.259 42 D C 0.236 176.576 176.300 0.067 0.000 1.296 42 D CA -0.374 53.653 54.000 0.044 0.000 0.931 42 D CB 0.379 41.201 40.800 0.036 0.000 1.067 42 D HN 0.327 nan 8.370 nan 0.000 0.503 43 D N 2.465 122.927 120.400 0.102 0.000 2.328 43 D HA -0.013 4.626 4.640 -0.000 0.000 0.221 43 D C 1.437 177.812 176.300 0.126 0.000 1.072 43 D CA 0.192 54.273 54.000 0.134 0.000 0.850 43 D CB 0.472 41.411 40.800 0.232 0.000 0.922 43 D HN 0.400 nan 8.370 nan 0.000 0.516 44 T N 1.449 116.071 114.554 0.113 0.000 2.652 44 T HA -0.197 4.152 4.350 -0.000 0.000 0.267 44 T C 1.878 176.628 174.700 0.083 0.000 1.039 44 T CA 1.412 63.578 62.100 0.109 0.000 1.153 44 T CB -0.032 68.897 68.868 0.102 0.000 0.863 44 T HN 0.352 nan 8.240 nan 0.000 0.428 45 E N 1.742 121.985 120.200 0.072 0.000 2.051 45 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 45 E C 2.315 178.953 176.600 0.063 0.000 0.991 45 E CA 1.130 57.567 56.400 0.062 0.000 0.799 45 E CB -1.223 28.512 29.700 0.058 0.000 0.748 45 E HN 0.394 nan 8.360 nan 0.000 0.449 46 V N 1.673 121.630 119.914 0.071 0.000 2.358 46 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 46 V C 2.715 178.841 176.094 0.054 0.000 1.047 46 V CA 1.716 64.059 62.300 0.072 0.000 1.035 46 V CB -0.466 31.407 31.823 0.084 0.000 0.658 46 V HN 0.177 nan 8.190 nan 0.000 0.452 47 I N 0.348 120.950 120.570 0.053 0.000 2.252 47 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 47 I C 2.672 178.804 176.117 0.025 0.000 1.102 47 I CA 1.411 62.724 61.300 0.023 0.000 1.385 47 I CB -0.587 37.429 38.000 0.026 0.000 1.064 47 I HN 0.286 nan 8.210 nan 0.000 0.414 48 A N 0.825 123.667 122.820 0.036 0.000 1.902 48 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 48 A C 2.544 180.152 177.584 0.040 0.000 1.181 48 A CA 1.924 53.978 52.037 0.029 0.000 0.623 48 A CB -0.810 18.209 19.000 0.032 0.000 0.818 48 A HN 0.439 nan 8.150 nan 0.000 0.443 49 A N -0.604 122.242 122.820 0.044 0.000 1.877 49 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 49 A C 2.460 180.070 177.584 0.043 0.000 1.186 49 A CA 2.107 54.172 52.037 0.046 0.000 0.620 49 A CB -0.880 18.149 19.000 0.048 0.000 0.822 49 A HN 0.458 nan 8.150 nan 0.000 0.443 50 S N -0.105 115.616 115.700 0.034 0.000 2.368 50 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 50 S C 1.805 176.426 174.600 0.036 0.000 1.030 50 S CA 1.383 59.596 58.200 0.022 0.000 0.999 50 S CB -0.444 62.757 63.200 0.003 0.000 0.844 50 S HN 0.498 nan 8.310 nan 0.000 0.459 51 L N 1.670 122.927 121.223 0.056 0.000 2.131 51 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 51 L C 1.832 178.802 176.870 0.167 0.000 1.092 51 L CA 0.847 55.755 54.840 0.112 0.000 0.759 51 L CB -0.466 41.665 42.059 0.120 0.000 0.903 51 L HN 0.329 nan 8.230 nan 0.000 0.435 52 N N -0.132 118.651 118.700 0.138 0.000 2.461 52 N HA -0.023 4.717 4.740 -0.000 0.000 0.188 52 N C 0.861 176.476 175.510 0.176 0.000 1.134 52 N CA 0.278 53.453 53.050 0.209 0.000 0.878 52 N CB 0.248 38.818 38.487 0.138 0.000 0.972 52 N HN 0.328 nan 8.380 nan 0.000 0.456 53 S N -0.156 115.573 115.700 0.048 0.000 2.634 53 S HA 0.163 4.632 4.470 -0.000 0.000 0.261 53 S C 0.779 175.212 174.600 -0.278 0.000 1.271 53 S CA -0.391 57.762 58.200 -0.079 0.000 0.985 53 S CB 1.255 64.423 63.200 -0.054 0.000 0.968 53 S HN 0.094 nan 8.310 nan 0.000 0.568 54 Q N -0.225 119.354 119.800 -0.369 0.000 2.220 54 Q HA 0.247 4.587 4.340 -0.000 0.000 0.205 54 Q C -0.314 175.543 176.000 -0.238 0.000 0.865 54 Q CA 0.017 55.521 55.803 -0.497 0.000 0.960 54 Q CB 0.296 28.721 28.738 -0.521 0.000 1.097 54 Q HN 0.515 nan 8.270 nan 0.000 0.493 55 K N 0.523 120.831 120.400 -0.153 0.000 2.087 55 K HA 0.531 4.851 4.320 -0.000 0.000 0.255 55 K C -0.405 176.151 176.600 -0.073 0.000 0.988 55 K CA -0.538 55.692 56.287 -0.095 0.000 0.915 55 K CB 1.199 33.655 32.500 -0.072 0.000 1.043 55 K HN 0.011 nan 8.250 nan 0.000 0.457 56 A N 1.771 124.554 122.820 -0.061 0.000 2.492 56 A HA 0.200 4.520 4.320 -0.000 0.000 0.254 56 A C -0.136 177.419 177.584 -0.049 0.000 1.091 56 A CA -0.319 51.687 52.037 -0.052 0.000 0.768 56 A CB -0.069 18.902 19.000 -0.049 0.000 1.028 56 A HN 0.389 nan 8.150 nan 0.000 0.498 57 V N 3.270 123.156 119.914 -0.047 0.000 2.427 57 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 57 V C 0.460 176.514 176.094 -0.067 0.000 1.034 57 V CA -0.312 61.957 62.300 -0.052 0.000 0.893 57 V CB 1.575 33.373 31.823 -0.042 0.000 0.982 57 V HN 0.889 nan 8.190 nan 0.000 0.452 58 T N 6.404 120.914 114.554 -0.074 0.000 2.758 58 T HA 0.635 4.985 4.350 -0.000 0.000 0.285 58 T C -0.226 174.393 174.700 -0.136 0.000 0.981 58 T CA -0.059 61.991 62.100 -0.084 0.000 0.965 58 T CB 0.562 69.395 68.868 -0.058 0.000 0.927 58 T HN 0.439 nan 8.240 nan 0.000 0.448 59 I N 4.006 124.464 120.570 -0.187 0.000 2.495 59 I HA 0.356 4.526 4.170 -0.000 0.000 0.277 59 I C 0.231 176.206 176.117 -0.235 0.000 1.045 59 I CA -0.445 60.626 61.300 -0.381 0.000 1.135 59 I CB 0.820 38.494 38.000 -0.544 0.000 1.241 59 I HN 0.658 nan 8.210 nan 0.000 0.469 60 S N 2.363 118.029 115.700 -0.056 0.000 2.697 60 S HA 0.575 5.045 4.470 -0.000 0.000 0.289 60 S C -0.458 174.293 174.600 0.252 0.000 1.149 60 S CA -0.648 57.613 58.200 0.101 0.000 0.850 60 S CB 2.177 65.401 63.200 0.039 0.000 1.151 60 S HN 0.541 nan 8.310 nan 0.000 0.491 61 D N -0.178 120.324 120.400 0.170 0.000 2.699 61 D HA 0.068 4.708 4.640 -0.000 0.000 0.239 61 D C 0.121 176.481 176.300 0.100 0.000 1.136 61 D CA 2.223 56.293 54.000 0.116 0.000 0.668 61 D CB -1.463 39.386 40.800 0.081 0.000 1.060 61 D HN 1.306 nan 8.370 nan 0.000 0.429 62 G N -2.715 106.157 108.800 0.119 0.000 2.313 62 G HA2 0.446 4.406 3.960 -0.000 0.000 0.296 62 G HA3 0.446 4.406 3.960 -0.000 0.000 0.296 62 G C -1.548 173.265 174.900 -0.145 0.000 1.356 62 G CA -0.419 44.584 45.100 -0.161 0.000 0.833 62 G HN 0.293 nan 8.290 nan 0.000 0.552 63 V N 0.625 120.339 119.914 -0.333 0.000 2.357 63 V HA 0.563 4.683 4.120 -0.000 0.000 0.284 63 V C -1.008 174.924 176.094 -0.270 0.000 1.018 63 V CA -0.467 61.759 62.300 -0.124 0.000 0.841 63 V CB 0.847 32.630 31.823 -0.066 0.000 0.991 63 V HN 0.497 nan 8.190 nan 0.000 0.437 64 F N 2.748 122.729 119.950 0.051 0.000 2.308 64 F HA 0.378 4.905 4.527 -0.000 0.000 0.370 64 F C 0.901 176.754 175.800 0.088 0.000 1.100 64 F CA -0.283 57.752 58.000 0.059 0.000 1.108 64 F CB 1.666 40.702 39.000 0.060 0.000 1.293 64 F HN 0.431 nan 8.300 nan 0.000 0.478 65 S N 3.125 118.915 115.700 0.151 0.000 2.488 65 S HA 0.518 4.988 4.470 -0.000 0.000 0.278 65 S C -0.201 174.496 174.600 0.161 0.000 1.259 65 S CA -0.306 57.966 58.200 0.120 0.000 1.061 65 S CB -0.219 63.007 63.200 0.043 0.000 0.910 65 S HN 0.670 nan 8.310 nan 0.000 0.491 66 S N 3.516 119.331 115.700 0.191 0.000 2.543 66 S HA 0.550 5.019 4.470 -0.000 0.000 0.271 66 S C -0.395 174.361 174.600 0.260 0.000 1.148 66 S CA -0.956 57.387 58.200 0.238 0.000 0.914 66 S CB 1.364 64.754 63.200 0.317 0.000 1.096 66 S HN 0.547 nan 8.310 nan 0.000 0.471 67 S N 1.037 116.866 115.700 0.215 0.000 2.632 67 S HA 0.702 5.172 4.470 -0.000 0.000 0.267 67 S C 1.056 175.869 174.600 0.355 0.000 1.193 67 S CA -0.255 58.084 58.200 0.232 0.000 1.003 67 S CB -0.165 63.108 63.200 0.122 0.000 1.073 67 S HN 1.194 nan 8.310 nan 0.000 0.553 68 G N 0.045 109.044 108.800 0.333 0.000 2.391 68 G HA2 0.373 4.333 3.960 -0.000 0.000 0.234 68 G HA3 0.373 4.333 3.960 -0.000 0.000 0.234 68 G C -0.740 174.242 174.900 0.137 0.000 1.284 68 G CA -0.042 45.212 45.100 0.257 0.000 0.873 68 G HN 0.485 nan 8.290 nan 0.000 0.549 69 I N 1.938 122.532 120.570 0.041 0.000 2.569 69 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 69 I C -0.731 175.287 176.117 -0.165 0.000 1.088 69 I CA -0.917 60.350 61.300 -0.056 0.000 1.047 69 I CB 2.209 40.155 38.000 -0.089 0.000 1.237 69 I HN 0.351 nan 8.210 nan 0.000 0.421 70 N N 3.816 122.440 118.700 -0.126 0.000 2.421 70 N HA 0.473 5.213 4.740 -0.000 0.000 0.285 70 N C -1.054 174.365 175.510 -0.151 0.000 1.027 70 N CA -0.213 52.742 53.050 -0.160 0.000 0.918 70 N CB 2.294 40.733 38.487 -0.078 0.000 1.152 70 N HN 0.522 nan 8.380 nan 0.000 0.485 71 S N 0.994 116.573 115.700 -0.202 0.000 2.546 71 S HA 0.349 4.819 4.470 -0.000 0.000 0.274 71 S C 0.084 174.674 174.600 -0.017 0.000 1.121 71 S CA -0.702 57.465 58.200 -0.055 0.000 0.887 71 S CB 0.852 64.077 63.200 0.042 0.000 1.094 71 S HN 0.430 nan 8.310 nan 0.000 0.474 72 N N 1.329 119.975 118.700 -0.090 0.000 2.336 72 N HA 0.149 4.889 4.740 -0.000 0.000 0.189 72 N C -1.117 174.095 175.510 -0.496 0.000 1.113 72 N CA 0.581 53.441 53.050 -0.316 0.000 0.858 72 N CB 0.114 38.302 38.487 -0.499 0.000 0.970 72 N HN 0.536 nan 8.380 nan 0.000 0.471 73 Y N -0.738 119.644 120.300 0.136 0.000 2.462 73 Y HA 0.387 4.937 4.550 -0.000 0.000 0.346 73 Y C -0.201 175.787 175.900 0.146 0.000 0.976 73 Y CA -1.266 56.892 58.100 0.097 0.000 1.044 73 Y CB 1.732 40.224 38.460 0.052 0.000 1.230 73 Y HN -0.196 nan 8.280 nan 0.000 0.455 74 C N 4.264 123.625 119.300 0.100 0.000 2.653 74 C HA 0.562 5.022 4.460 -0.000 0.000 0.291 74 C C -1.068 173.826 174.990 -0.161 0.000 1.064 74 C CA -0.381 58.483 59.018 -0.256 0.000 1.469 74 C CB -1.241 26.054 27.740 -0.742 0.000 1.861 74 C HN 0.797 nan 8.230 nan 0.000 0.434 75 N N 4.642 123.297 118.700 -0.075 0.000 2.653 75 N HA 0.522 5.262 4.740 -0.000 0.000 0.261 75 N C -1.830 173.644 175.510 -0.059 0.000 1.216 75 N CA -0.148 52.858 53.050 -0.072 0.000 0.784 75 N CB 1.175 39.636 38.487 -0.044 0.000 1.327 75 N HN 0.662 nan 8.380 nan 0.000 0.539 76 L N 2.248 123.422 121.223 -0.081 0.000 2.464 76 L HA 0.695 5.035 4.340 -0.000 0.000 0.266 76 L C -1.511 175.314 176.870 -0.075 0.000 0.965 76 L CA -0.417 54.383 54.840 -0.067 0.000 0.833 76 L CB 2.153 44.183 42.059 -0.048 0.000 1.296 76 L HN 0.403 nan 8.230 nan 0.000 0.405 77 D N 2.059 122.416 120.400 -0.071 0.000 2.780 77 D HA 0.655 5.295 4.640 -0.000 0.000 0.242 77 D C 0.433 176.693 176.300 -0.068 0.000 1.135 77 D CA 0.042 54.004 54.000 -0.065 0.000 0.859 77 D CB 2.302 43.070 40.800 -0.053 0.000 1.530 77 D HN 0.679 nan 8.370 nan 0.000 0.493 78 G N 2.041 110.806 108.800 -0.057 0.000 3.126 78 G HA2 0.061 4.021 3.960 -0.000 0.000 0.224 78 G HA3 0.061 4.021 3.960 -0.000 0.000 0.224 78 G C 0.311 175.199 174.900 -0.020 0.000 1.142 78 G CA -0.361 44.711 45.100 -0.045 0.000 0.759 78 G HN 0.651 nan 8.290 nan 0.000 0.550 79 R N -1.024 119.463 120.500 -0.023 0.000 3.741 79 R HA -0.242 4.098 4.340 -0.000 0.000 0.292 79 R C 1.656 177.954 176.300 -0.003 0.000 1.176 79 R CA 0.612 56.705 56.100 -0.011 0.000 0.794 79 R CB -1.905 28.392 30.300 -0.005 0.000 1.213 79 R HN 1.052 nan 8.270 nan 0.000 0.494 80 G N -1.211 107.585 108.800 -0.007 0.000 2.189 80 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.267 80 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.267 80 G C 0.589 175.496 174.900 0.012 0.000 0.975 80 G CA 0.982 46.081 45.100 -0.002 0.000 0.644 80 G HN 0.861 nan 8.290 nan 0.000 0.537 81 S N -1.213 114.502 115.700 0.025 0.000 2.632 81 S HA 0.556 5.026 4.470 -0.000 0.000 0.237 81 S C 1.208 175.860 174.600 0.087 0.000 1.037 81 S CA 0.897 59.125 58.200 0.046 0.000 1.009 81 S CB 0.779 64.006 63.200 0.045 0.000 0.974 81 S HN 1.543 nan 8.310 nan 0.000 0.544 82 G N 1.391 110.245 108.800 0.090 0.000 2.390 82 G HA2 0.538 4.498 3.960 -0.000 0.000 0.270 82 G HA3 0.538 4.498 3.960 -0.000 0.000 0.270 82 G C -0.902 174.084 174.900 0.142 0.000 1.211 82 G CA -0.333 44.862 45.100 0.159 0.000 0.842 82 G HN 0.325 nan 8.290 nan 0.000 0.519 83 V N 3.722 123.780 119.914 0.241 0.000 2.483 83 V HA 0.298 4.418 4.120 -0.000 0.000 0.297 83 V C 0.049 176.308 176.094 0.276 0.000 1.027 83 V CA -0.607 61.806 62.300 0.188 0.000 0.855 83 V CB 1.573 33.478 31.823 0.137 0.000 0.995 83 V HN 0.615 nan 8.190 nan 0.000 0.424 84 L N 3.974 125.330 121.223 0.222 0.000 2.261 84 L HA 0.462 4.802 4.340 -0.000 0.000 0.289 84 L C 0.461 177.571 176.870 0.401 0.000 1.059 84 L CA 0.207 55.231 54.840 0.306 0.000 0.816 84 L CB 1.406 43.572 42.059 0.178 0.000 1.191 84 L HN 0.663 nan 8.230 nan 0.000 0.431 85 S N 3.236 119.139 115.700 0.338 0.000 2.498 85 S HA 0.193 4.663 4.470 -0.000 0.000 0.324 85 S C -0.280 174.364 174.600 0.073 0.000 1.071 85 S CA -0.590 57.729 58.200 0.199 0.000 1.113 85 S CB 0.231 63.502 63.200 0.117 0.000 0.976 85 S HN 0.625 nan 8.310 nan 0.000 0.462 86 H N 4.374 123.232 119.070 -0.353 0.000 3.091 86 H HA 0.094 4.650 4.556 -0.000 0.000 0.289 86 H C 1.406 176.537 175.328 -0.329 0.000 0.995 86 H CA -0.038 55.530 56.048 -0.799 0.000 1.461 86 H CB 0.470 29.675 29.762 -0.930 0.000 1.510 86 H HN 0.711 nan 8.280 nan 0.000 0.546 87 R N 3.171 123.554 120.500 -0.194 0.000 2.200 87 R HA -0.021 4.319 4.340 -0.000 0.000 0.208 87 R C 0.355 176.490 176.300 -0.275 0.000 1.033 87 R CA 0.240 56.246 56.100 -0.157 0.000 1.000 87 R CB 0.303 30.579 30.300 -0.040 0.000 0.906 87 R HN 0.369 nan 8.270 nan 0.000 0.462 88 S N -0.739 114.623 115.700 -0.563 0.000 2.616 88 S HA 0.124 4.594 4.470 -0.000 0.000 0.277 88 S C 0.743 175.001 174.600 -0.571 0.000 1.234 88 S CA -0.431 57.456 58.200 -0.522 0.000 1.028 88 S CB 1.687 64.608 63.200 -0.464 0.000 0.988 88 S HN 0.356 nan 8.310 nan 0.000 0.522 89 S N 1.575 117.098 115.700 -0.295 0.000 2.556 89 S HA 0.248 4.718 4.470 -0.000 0.000 0.216 89 S C 0.465 174.983 174.600 -0.136 0.000 0.970 89 S CA 0.152 58.232 58.200 -0.200 0.000 0.912 89 S CB -0.451 62.674 63.200 -0.124 0.000 0.790 89 S HN 0.934 nan 8.310 nan 0.000 0.504 90 T N -2.856 111.618 114.554 -0.134 0.000 2.843 90 T HA 0.722 5.071 4.350 -0.000 0.000 0.302 90 T C 0.165 174.894 174.700 0.049 0.000 1.232 90 T CA -0.202 61.880 62.100 -0.030 0.000 1.009 90 T CB 1.197 70.053 68.868 -0.020 0.000 1.254 90 T HN 1.472 nan 8.240 nan 0.000 0.504 91 G N 1.555 110.412 108.800 0.095 0.000 2.756 91 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.678 91 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.678 91 G C -0.842 174.184 174.900 0.210 0.000 1.349 91 G CA -0.748 44.433 45.100 0.134 0.000 0.847 91 G HN 1.030 nan 8.290 nan 0.000 0.548 92 N N -0.545 118.249 118.700 0.156 0.000 2.415 92 N HA 0.374 5.114 4.740 -0.000 0.000 0.248 92 N C 0.609 176.181 175.510 0.104 0.000 1.271 92 N CA -0.137 52.993 53.050 0.133 0.000 0.913 92 N CB 0.656 39.202 38.487 0.099 0.000 1.129 92 N HN 0.553 nan 8.380 nan 0.000 0.444 93 Y N 0.938 121.110 120.300 -0.215 0.000 2.503 93 Y HA 0.377 4.926 4.550 -0.000 0.000 0.236 93 Y C 0.203 175.961 175.900 -0.237 0.000 1.047 93 Y CA 0.384 58.187 58.100 -0.496 0.000 1.267 93 Y CB -0.324 37.746 38.460 -0.650 0.000 1.093 93 Y HN 0.320 nan 8.280 nan 0.000 0.490 94 L N 2.036 123.107 121.223 -0.253 0.000 2.264 94 L HA 0.457 4.797 4.340 -0.000 0.000 0.289 94 L C -1.129 175.542 176.870 -0.332 0.000 1.044 94 L CA -0.687 53.903 54.840 -0.418 0.000 0.807 94 L CB 1.422 43.207 42.059 -0.456 0.000 1.192 94 L HN -0.107 nan 8.230 nan 0.000 0.425 95 V N 3.949 123.586 119.914 -0.461 0.000 2.407 95 V HA 0.397 4.517 4.120 -0.000 0.000 0.291 95 V C -0.565 175.221 176.094 -0.514 0.000 1.018 95 V CA -0.423 61.689 62.300 -0.312 0.000 0.842 95 V CB 1.520 33.270 31.823 -0.121 0.000 0.996 95 V HN 0.367 nan 8.190 nan 0.000 0.426 96 F N 3.431 123.344 119.950 -0.062 0.000 2.411 96 F HA 0.459 4.986 4.527 -0.000 0.000 0.352 96 F C 0.556 176.289 175.800 -0.113 0.000 1.123 96 F CA -0.549 57.402 58.000 -0.081 0.000 1.044 96 F CB 1.206 40.160 39.000 -0.076 0.000 1.135 96 F HN 0.437 nan 8.300 nan 0.000 0.461 97 N N 3.412 122.121 118.700 0.015 0.000 2.439 97 N HA 0.119 4.859 4.740 -0.000 0.000 0.249 97 N C -0.381 175.091 175.510 -0.065 0.000 1.003 97 N CA -0.224 52.798 53.050 -0.046 0.000 0.942 97 N CB -0.149 38.303 38.487 -0.058 0.000 1.115 97 N HN 0.685 nan 8.380 nan 0.000 0.505 98 N N 1.333 119.987 118.700 -0.076 0.000 2.714 98 N HA -0.159 4.581 4.740 -0.000 0.000 0.252 98 N C -2.492 172.969 175.510 -0.082 0.000 1.014 98 N CA 0.212 53.214 53.050 -0.080 0.000 0.735 98 N CB -0.446 37.996 38.487 -0.074 0.000 0.924 98 N HN 0.568 nan 8.380 nan 0.000 0.540 99 P HA 0.004 nan 4.420 nan 0.000 0.268 99 P C -0.447 176.822 177.300 -0.051 0.000 1.204 99 P CA 0.383 63.444 63.100 -0.065 0.000 0.768 99 P CB 0.769 32.437 31.700 -0.053 0.000 0.842 100 R N 3.326 123.809 120.500 -0.029 0.000 2.247 100 R HA 0.393 4.732 4.340 -0.000 0.000 0.329 100 R C -0.353 175.951 176.300 0.007 0.000 1.014 100 R CA 0.171 56.264 56.100 -0.010 0.000 0.907 100 R CB -0.459 29.843 30.300 0.003 0.000 1.146 100 R HN 0.840 nan 8.270 nan 0.000 0.499 101 T N -0.489 114.057 114.554 -0.013 0.000 0.541 101 T HA 0.009 4.359 4.350 -0.000 0.000 0.774 101 T C -0.056 174.627 174.700 -0.028 0.000 0.992 101 T CA -0.101 61.989 62.100 -0.017 0.000 4.077 101 T CB -1.248 67.618 68.868 -0.005 0.000 2.303 101 T HN 1.205 nan 8.240 nan 0.000 0.398 102 G N 0.968 109.737 108.800 -0.052 0.000 2.316 102 G HA2 0.614 4.573 3.960 -0.000 0.000 0.296 102 G HA3 0.614 4.573 3.960 -0.000 0.000 0.296 102 G C -1.307 173.531 174.900 -0.103 0.000 1.399 102 G CA -0.267 44.783 45.100 -0.084 0.000 0.833 102 G HN 1.296 nan 8.290 nan 0.000 0.565 103 R N -0.447 119.975 120.500 -0.130 0.000 2.515 103 R HA 0.607 4.947 4.340 -0.000 0.000 0.278 103 R C -2.198 174.010 176.300 -0.152 0.000 1.107 103 R CA -0.783 55.247 56.100 -0.117 0.000 0.945 103 R CB 1.642 31.895 30.300 -0.078 0.000 1.219 103 R HN 0.833 nan 8.270 nan 0.000 0.434 104 L N 3.911 125.044 121.223 -0.150 0.000 2.372 104 L HA 0.661 5.001 4.340 -0.000 0.000 0.274 104 L C -1.551 175.263 176.870 -0.094 0.000 0.988 104 L CA 0.072 54.825 54.840 -0.146 0.000 0.833 104 L CB 1.907 43.855 42.059 -0.185 0.000 1.236 104 L HN 0.784 nan 8.230 nan 0.000 0.410 105 S N 2.433 118.083 115.700 -0.083 0.000 2.556 105 S HA 0.600 5.070 4.470 -0.000 0.000 0.271 105 S C -0.683 173.878 174.600 -0.064 0.000 1.135 105 S CA -0.791 57.370 58.200 -0.066 0.000 0.858 105 S CB 1.593 64.761 63.200 -0.054 0.000 1.114 105 S HN 0.631 nan 8.310 nan 0.000 0.468 106 N N 0.005 118.671 118.700 -0.057 0.000 2.714 106 N HA -0.160 4.579 4.740 -0.000 0.000 0.253 106 N C -0.816 174.662 175.510 -0.053 0.000 1.024 106 N CA 1.212 54.233 53.050 -0.047 0.000 0.726 106 N CB -1.396 37.070 38.487 -0.034 0.000 0.908 106 N HN 0.870 nan 8.380 nan 0.000 0.542 107 I N -1.123 119.400 120.570 -0.078 0.000 3.102 107 I HA 0.312 4.481 4.170 -0.000 0.000 0.310 107 I C -0.604 175.445 176.117 -0.113 0.000 1.246 107 I CA -0.466 60.789 61.300 -0.075 0.000 0.979 107 I CB 2.272 40.226 38.000 -0.078 0.000 1.267 107 I HN -0.052 nan 8.210 nan 0.000 0.451 108 T N 4.193 118.706 114.554 -0.068 0.000 2.797 108 T HA 0.544 4.894 4.350 -0.000 0.000 0.279 108 T C -0.941 173.737 174.700 -0.036 0.000 0.991 108 T CA -0.379 61.676 62.100 -0.076 0.000 0.979 108 T CB 1.588 70.454 68.868 -0.004 0.000 0.943 108 T HN 0.223 nan 8.240 nan 0.000 0.444 109 V N 3.340 123.210 119.914 -0.074 0.000 2.409 109 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 109 V C -0.101 176.133 176.094 0.234 0.000 1.020 109 V CA -0.741 61.628 62.300 0.115 0.000 0.848 109 V CB 1.512 33.415 31.823 0.133 0.000 0.990 109 V HN 0.822 nan 8.190 nan 0.000 0.430 110 E N 2.599 122.962 120.200 0.271 0.000 2.187 110 E HA 0.584 4.934 4.350 -0.000 0.000 0.268 110 E C -0.530 176.194 176.600 0.206 0.000 0.896 110 E CA -0.108 56.417 56.400 0.208 0.000 0.766 110 E CB 1.818 31.603 29.700 0.142 0.000 1.142 110 E HN 0.682 nan 8.360 nan 0.000 0.408 111 S N 2.923 118.726 115.700 0.171 0.000 2.672 111 S HA 0.438 4.908 4.470 -0.000 0.000 0.276 111 S C -0.213 174.417 174.600 0.050 0.000 1.207 111 S CA -0.721 57.560 58.200 0.134 0.000 1.002 111 S CB 0.532 63.815 63.200 0.139 0.000 0.998 111 S HN 0.525 nan 8.310 nan 0.000 0.542 112 N N 1.601 120.303 118.700 0.004 0.000 2.646 112 N HA 0.130 4.870 4.740 -0.000 0.000 0.296 112 N C -1.266 174.197 175.510 -0.078 0.000 1.886 112 N CA -0.172 52.846 53.050 -0.053 0.000 0.855 112 N CB 0.747 39.184 38.487 -0.084 0.000 1.336 112 N HN 0.425 nan 8.380 nan 0.000 0.496 113 K N 0.383 120.755 120.400 -0.046 0.000 2.382 113 K HA 0.221 4.540 4.320 -0.000 0.000 0.275 113 K C 1.221 177.785 176.600 -0.060 0.000 1.009 113 K CA -0.059 56.199 56.287 -0.048 0.000 0.970 113 K CB 1.069 33.555 32.500 -0.023 0.000 0.934 113 K HN 0.192 nan 8.250 nan 0.000 0.479 114 A N 2.307 125.092 122.820 -0.059 0.000 1.902 114 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 114 A C 1.119 178.675 177.584 -0.047 0.000 1.181 114 A CA 1.954 53.959 52.037 -0.054 0.000 0.623 114 A CB -0.338 18.632 19.000 -0.049 0.000 0.818 114 A HN 0.834 nan 8.150 nan 0.000 0.443 115 T N -5.472 109.055 114.554 -0.044 0.000 2.838 115 T HA 0.453 4.802 4.350 -0.000 0.000 0.292 115 T C -0.460 174.210 174.700 -0.049 0.000 1.113 115 T CA -0.243 61.832 62.100 -0.043 0.000 1.008 115 T CB 1.293 70.141 68.868 -0.032 0.000 1.259 115 T HN -0.018 nan 8.240 nan 0.000 0.520 116 D N 0.830 121.199 120.400 -0.051 0.000 2.363 116 D HA 0.073 4.713 4.640 -0.000 0.000 0.226 116 D C 1.531 177.813 176.300 -0.030 0.000 1.020 116 D CA 1.187 55.152 54.000 -0.058 0.000 0.892 116 D CB 0.087 40.853 40.800 -0.057 0.000 0.900 116 D HN 0.808 nan 8.370 nan 0.000 0.531 117 T N -3.293 111.247 114.554 -0.023 0.000 3.132 117 T HA 0.101 4.451 4.350 -0.000 0.000 0.274 117 T C 0.706 175.402 174.700 -0.006 0.000 1.011 117 T CA -0.412 61.681 62.100 -0.012 0.000 0.899 117 T CB 0.124 68.983 68.868 -0.015 0.000 1.089 117 T HN -0.276 nan 8.240 nan 0.000 0.543 118 T N 3.510 118.059 114.554 -0.009 0.000 2.853 118 T HA 0.243 4.593 4.350 -0.000 0.000 0.298 118 T C -0.021 174.689 174.700 0.017 0.000 0.978 118 T CA -0.047 62.053 62.100 0.000 0.000 1.152 118 T CB 0.964 69.828 68.868 -0.007 0.000 0.914 118 T HN 0.441 nan 8.240 nan 0.000 0.539 119 Q N 1.980 121.794 119.800 0.023 0.000 2.293 119 Q HA 0.554 4.894 4.340 -0.000 0.000 0.251 119 Q C -0.051 175.984 176.000 0.059 0.000 0.930 119 Q CA 0.043 55.866 55.803 0.035 0.000 0.893 119 Q CB 0.710 29.464 28.738 0.028 0.000 1.215 119 Q HN 0.937 nan 8.270 nan 0.000 0.425 120 G N 2.943 111.789 108.800 0.075 0.000 2.378 120 G HA2 0.241 4.201 3.960 -0.000 0.000 0.302 120 G HA3 0.241 4.201 3.960 -0.000 0.000 0.302 120 G C -1.844 173.132 174.900 0.127 0.000 1.669 120 G CA -0.949 44.216 45.100 0.108 0.000 0.920 120 G HN 0.518 nan 8.290 nan 0.000 0.697 121 Q N 1.112 120.997 119.800 0.143 0.000 2.230 121 Q HA 0.372 4.712 4.340 -0.000 0.000 0.253 121 Q C 0.952 177.048 176.000 0.160 0.000 0.919 121 Q CA -0.578 55.324 55.803 0.164 0.000 0.908 121 Q CB 2.320 31.165 28.738 0.179 0.000 1.245 121 Q HN 0.788 nan 8.270 nan 0.000 0.437 122 Q N 0.153 120.051 119.800 0.163 0.000 2.008 122 Q HA 0.081 4.421 4.340 -0.000 0.000 0.196 122 Q C 0.036 176.156 176.000 0.200 0.000 0.973 122 Q CA 0.931 56.872 55.803 0.229 0.000 0.826 122 Q CB 0.514 29.433 28.738 0.301 0.000 0.894 122 Q HN 0.328 nan 8.270 nan 0.000 0.439 123 V N 0.996 121.021 119.914 0.185 0.000 2.487 123 V HA 0.290 4.410 4.120 -0.000 0.000 0.298 123 V C -0.818 175.373 176.094 0.162 0.000 1.028 123 V CA -0.537 61.884 62.300 0.202 0.000 0.860 123 V CB 1.965 33.990 31.823 0.337 0.000 0.991 123 V HN 0.045 nan 8.190 nan 0.000 0.427 124 S N 5.728 121.522 115.700 0.157 0.000 2.478 124 S HA 0.641 5.110 4.470 -0.000 0.000 0.312 124 S C -0.444 174.217 174.600 0.102 0.000 1.094 124 S CA -0.541 57.739 58.200 0.133 0.000 1.081 124 S CB 1.215 64.517 63.200 0.170 0.000 1.007 124 S HN 0.549 nan 8.310 nan 0.000 0.475 125 L N 2.891 124.103 121.223 -0.017 0.000 2.288 125 L HA 0.446 4.786 4.340 -0.000 0.000 0.283 125 L C 0.499 177.112 176.870 -0.427 0.000 1.072 125 L CA -0.613 54.166 54.840 -0.101 0.000 0.862 125 L CB 0.399 42.404 42.059 -0.091 0.000 1.245 125 L HN 0.741 nan 8.230 nan 0.000 0.432 126 A N 3.572 126.130 122.820 -0.436 0.000 2.915 126 A HA 0.572 4.892 4.320 -0.000 0.000 0.292 126 A C 1.004 178.340 177.584 -0.413 0.000 1.632 126 A CA 0.397 51.988 52.037 -0.743 0.000 1.337 126 A CB -0.712 18.113 19.000 -0.291 0.000 1.111 126 A HN 0.912 nan 8.150 nan 0.000 0.569 127 G N 0.256 108.796 108.800 -0.432 0.000 2.787 127 G HA2 0.500 4.460 3.960 -0.000 0.000 0.685 127 G HA3 0.500 4.460 3.960 -0.000 0.000 0.685 127 G C 0.274 175.080 174.900 -0.157 0.000 1.437 127 G CA -0.346 44.631 45.100 -0.205 0.000 0.872 127 G HN 2.673 nan 8.290 nan 0.000 0.566 128 G N -1.308 107.430 108.800 -0.104 0.000 2.386 128 G HA2 0.751 4.711 3.960 -0.000 0.000 0.302 128 G HA3 0.751 4.711 3.960 -0.000 0.000 0.302 128 G C -0.535 174.329 174.900 -0.060 0.000 1.629 128 G CA 0.631 45.683 45.100 -0.081 0.000 0.917 128 G HN 2.554 nan 8.290 nan 0.000 0.676 129 S N 0.255 115.925 115.700 -0.049 0.000 2.536 129 S HA 0.642 5.112 4.470 -0.000 0.000 0.287 129 S C -0.229 174.350 174.600 -0.035 0.000 1.101 129 S CA -0.083 58.095 58.200 -0.036 0.000 0.950 129 S CB 2.188 65.373 63.200 -0.027 0.000 1.056 129 S HN 1.126 nan 8.310 nan 0.000 0.481 130 D N 0.100 120.482 120.400 -0.031 0.000 2.708 130 D HA -0.112 4.528 4.640 -0.000 0.000 0.236 130 D C -0.477 175.798 176.300 -0.041 0.000 1.146 130 D CA 0.766 54.749 54.000 -0.029 0.000 0.662 130 D CB -1.706 39.081 40.800 -0.022 0.000 1.059 130 D HN 0.499 nan 8.370 nan 0.000 0.428 131 V N 0.315 120.197 119.914 -0.053 0.000 2.439 131 V HA 0.407 4.527 4.120 -0.000 0.000 0.282 131 V C 0.933 176.989 176.094 -0.063 0.000 1.039 131 V CA -0.151 62.104 62.300 -0.075 0.000 0.913 131 V CB 2.103 33.864 31.823 -0.104 0.000 0.983 131 V HN 0.066 nan 8.190 nan 0.000 0.460 132 T N 4.537 119.051 114.554 -0.067 0.000 2.770 132 T HA 0.516 4.866 4.350 -0.000 0.000 0.283 132 T C -0.388 174.276 174.700 -0.060 0.000 0.988 132 T CA -0.293 61.777 62.100 -0.050 0.000 0.957 132 T CB 1.345 70.189 68.868 -0.040 0.000 0.930 132 T HN 0.363 nan 8.240 nan 0.000 0.443 133 V N 4.296 124.188 119.914 -0.036 0.000 2.357 133 V HA 0.677 4.797 4.120 -0.000 0.000 0.284 133 V C -0.061 176.032 176.094 -0.002 0.000 1.018 133 V CA -0.751 61.536 62.300 -0.021 0.000 0.841 133 V CB 1.195 33.031 31.823 0.022 0.000 0.991 133 V HN 1.028 nan 8.190 nan 0.000 0.437 134 S N 2.383 118.073 115.700 -0.017 0.000 2.575 134 S HA 0.565 5.035 4.470 -0.000 0.000 0.278 134 S C -0.632 173.955 174.600 -0.021 0.000 1.139 134 S CA -0.705 57.489 58.200 -0.011 0.000 0.954 134 S CB 1.771 64.961 63.200 -0.016 0.000 1.054 134 S HN 0.762 nan 8.310 nan 0.000 0.483 135 D N 0.498 120.892 120.400 -0.010 0.000 2.705 135 D HA -0.104 4.535 4.640 -0.000 0.000 0.240 135 D C -0.743 175.523 176.300 -0.056 0.000 1.137 135 D CA 0.707 54.695 54.000 -0.021 0.000 0.677 135 D CB -1.265 39.523 40.800 -0.019 0.000 1.049 135 D HN 0.501 nan 8.370 nan 0.000 0.427 136 V N 1.208 121.074 119.914 -0.080 0.000 2.513 136 V HA 0.366 4.486 4.120 -0.000 0.000 0.299 136 V C 0.431 176.366 176.094 -0.265 0.000 1.035 136 V CA -0.862 61.304 62.300 -0.223 0.000 0.889 136 V CB 2.192 33.819 31.823 -0.326 0.000 0.988 136 V HN 0.088 nan 8.190 nan 0.000 0.440 137 N N 3.505 122.024 118.700 -0.301 0.000 2.424 137 N HA 0.520 5.260 4.740 -0.000 0.000 0.271 137 N C -1.178 174.163 175.510 -0.283 0.000 0.985 137 N CA -0.200 52.749 53.050 -0.168 0.000 0.921 137 N CB 1.665 40.121 38.487 -0.052 0.000 1.149 137 N HN 0.468 nan 8.380 nan 0.000 0.492 138 F N 0.943 120.971 119.950 0.130 0.000 2.404 138 F HA 0.327 4.853 4.527 -0.000 0.000 0.354 138 F C 0.990 176.881 175.800 0.152 0.000 1.122 138 F CA -0.592 57.503 58.000 0.159 0.000 1.080 138 F CB 1.115 40.238 39.000 0.204 0.000 1.131 138 F HN 0.281 nan 8.300 nan 0.000 0.471 139 S N 1.519 117.380 115.700 0.269 0.000 2.600 139 S HA 0.458 4.928 4.470 -0.000 0.000 0.300 139 S C -0.139 174.542 174.600 0.136 0.000 1.087 139 S CA -0.955 57.347 58.200 0.170 0.000 0.965 139 S CB 1.587 64.853 63.200 0.109 0.000 1.089 139 S HN 0.659 nan 8.310 nan 0.000 0.496 140 N N -0.315 118.424 118.700 0.065 0.000 2.727 140 N HA -0.140 4.600 4.740 -0.000 0.000 0.249 140 N C -0.580 174.921 175.510 -0.016 0.000 1.048 140 N CA 0.656 53.710 53.050 0.006 0.000 0.714 140 N CB -1.580 36.918 38.487 0.017 0.000 0.959 140 N HN 0.651 nan 8.380 nan 0.000 0.544 141 V N 0.128 120.030 119.914 -0.021 0.000 2.555 141 V HA 0.317 4.436 4.120 -0.000 0.000 0.286 141 V C 0.891 176.777 176.094 -0.345 0.000 1.044 141 V CA 0.366 62.650 62.300 -0.025 0.000 1.026 141 V CB 1.288 33.189 31.823 0.131 0.000 0.981 141 V HN 0.193 nan 8.190 nan 0.000 0.480 142 K N 2.194 122.439 120.400 -0.258 0.000 2.499 142 K HA 0.726 5.045 4.320 -0.000 0.000 0.277 142 K C 0.378 176.921 176.600 -0.094 0.000 1.025 142 K CA -0.280 55.746 56.287 -0.434 0.000 0.900 142 K CB 2.135 34.469 32.500 -0.275 0.000 1.494 142 K HN 0.977 nan 8.250 nan 0.000 0.442 143 G N 0.503 109.270 108.800 -0.055 0.000 2.569 143 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.259 143 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.259 143 G C -0.371 174.596 174.900 0.111 0.000 1.263 143 G CA 0.050 45.176 45.100 0.043 0.000 0.928 143 G HN 0.814 nan 8.290 nan 0.000 0.572 144 T N -1.641 112.938 114.554 0.041 0.000 2.902 144 T HA 0.872 5.222 4.350 -0.000 0.000 0.283 144 T C 0.819 175.503 174.700 -0.028 0.000 1.009 144 T CA 0.820 62.915 62.100 -0.008 0.000 1.051 144 T CB 1.604 70.465 68.868 -0.011 0.000 0.999 144 T HN 2.845 nan 8.240 nan 0.000 0.474 145 G N 1.002 109.706 108.800 -0.161 0.000 2.362 145 G HA2 0.258 4.218 3.960 -0.000 0.000 0.517 145 G HA3 0.258 4.218 3.960 -0.000 0.000 0.517 145 G C -1.552 173.094 174.900 -0.423 0.000 1.256 145 G CA -1.032 43.981 45.100 -0.146 0.000 1.027 145 G HN 0.779 nan 8.290 nan 0.000 0.491 146 F N -0.412 119.574 119.950 0.060 0.000 2.588 146 F HA 0.665 5.192 4.527 -0.000 0.000 0.314 146 F C 1.394 177.178 175.800 -0.027 0.000 1.069 146 F CA -0.028 57.985 58.000 0.022 0.000 0.931 146 F CB 2.286 41.257 39.000 -0.047 0.000 1.260 146 F HN 0.424 nan 8.300 nan 0.000 0.465 147 S N 0.914 116.641 115.700 0.045 0.000 2.355 147 S HA -0.029 4.441 4.470 -0.000 0.000 0.222 147 S C -0.108 174.141 174.600 -0.585 0.000 1.031 147 S CA 0.842 58.816 58.200 -0.376 0.000 0.993 147 S CB -0.034 62.768 63.200 -0.663 0.000 0.859 147 S HN 0.381 nan 8.310 nan 0.000 0.453 148 L N 0.771 121.765 121.223 -0.382 0.000 2.406 148 L HA 0.662 5.002 4.340 -0.000 0.000 0.272 148 L C -1.193 175.635 176.870 -0.071 0.000 0.980 148 L CA -0.345 54.380 54.840 -0.191 0.000 0.831 148 L CB 1.607 43.572 42.059 -0.157 0.000 1.253 148 L HN 0.196 nan 8.230 nan 0.000 0.406 149 I N 4.382 124.945 120.570 -0.013 0.000 2.498 149 I HA 0.864 5.034 4.170 -0.000 0.000 0.290 149 I C -1.087 175.032 176.117 0.004 0.000 1.032 149 I CA -0.444 60.826 61.300 -0.051 0.000 1.073 149 I CB 1.840 39.828 38.000 -0.021 0.000 1.251 149 I HN 0.828 nan 8.210 nan 0.000 0.426 150 A N 7.061 129.858 122.820 -0.039 0.000 2.343 150 A HA 0.805 5.124 4.320 -0.000 0.000 0.316 150 A C -1.579 176.003 177.584 -0.004 0.000 1.104 150 A CA -0.353 51.638 52.037 -0.077 0.000 0.768 150 A CB 0.925 19.877 19.000 -0.080 0.000 1.213 150 A HN 0.775 nan 8.150 nan 0.000 0.456 151 Y N -0.087 120.170 120.300 -0.072 0.000 2.625 151 Y HA 0.788 5.338 4.550 -0.000 0.000 0.338 151 Y C -3.297 172.575 175.900 -0.047 0.000 1.123 151 Y CA -3.275 54.781 58.100 -0.074 0.000 1.046 151 Y CB 0.706 39.115 38.460 -0.084 0.000 1.299 151 Y HN 0.382 nan 8.280 nan 0.000 0.464 152 P HA 0.191 nan 4.420 nan 0.000 0.271 152 P C -0.706 176.667 177.300 0.121 0.000 1.216 152 P CA 0.131 63.276 63.100 0.075 0.000 0.771 152 P CB 0.560 32.299 31.700 0.064 0.000 0.864 153 N N 1.817 120.535 118.700 0.029 0.000 2.636 153 N HA 0.095 4.835 4.740 -0.000 0.000 0.287 153 N C -0.702 174.814 175.510 0.010 0.000 1.817 153 N CA 0.047 53.120 53.050 0.038 0.000 0.842 153 N CB -0.051 38.427 38.487 -0.016 0.000 1.353 153 N HN 0.091 nan 8.380 nan 0.000 0.500 154 D N -0.688 119.720 120.400 0.013 0.000 2.433 154 D HA 0.250 4.890 4.640 -0.000 0.000 0.211 154 D C 0.303 176.613 176.300 0.016 0.000 1.114 154 D CA -0.003 54.012 54.000 0.026 0.000 0.837 154 D CB 0.802 41.615 40.800 0.022 0.000 0.984 154 D HN 0.425 nan 8.370 nan 0.000 0.505 155 A N 1.817 124.639 122.820 0.003 0.000 2.371 155 A HA 0.477 4.797 4.320 -0.000 0.000 0.257 155 A C -2.322 175.260 177.584 -0.003 0.000 1.089 155 A CA -0.996 51.041 52.037 -0.000 0.000 0.794 155 A CB 0.149 19.145 19.000 -0.006 0.000 1.029 155 A HN -0.146 nan 8.150 nan 0.000 0.488 156 P HA 0.187 nan 4.420 nan 0.000 0.266 156 P C -2.452 174.840 177.300 -0.014 0.000 1.195 156 P CA -0.512 62.588 63.100 0.000 0.000 0.768 156 P CB -0.213 31.494 31.700 0.011 0.000 0.838 157 P HA 0.086 nan 4.420 nan 0.000 0.266 157 P C -0.719 176.570 177.300 -0.018 0.000 1.195 157 P CA 0.737 63.813 63.100 -0.039 0.000 0.768 157 P CB 0.360 32.028 31.700 -0.053 0.000 0.838 158 D N 1.573 121.963 120.400 -0.018 0.000 2.936 158 D HA 0.409 5.049 4.640 -0.000 0.000 0.238 158 D C 0.624 176.919 176.300 -0.009 0.000 1.248 158 D CA -0.039 53.959 54.000 -0.003 0.000 0.903 158 D CB 1.061 41.860 40.800 -0.001 0.000 1.544 158 D HN 0.523 nan 8.370 nan 0.000 0.543 159 G N 2.872 111.671 108.800 -0.001 0.000 2.176 159 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.252 159 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.252 159 G C 0.269 175.162 174.900 -0.013 0.000 1.024 159 G CA 0.402 45.498 45.100 -0.005 0.000 0.755 159 G HN 0.466 nan 8.290 nan 0.000 0.507 160 L N -0.565 120.649 121.223 -0.015 0.000 2.439 160 L HA 0.584 4.923 4.340 -0.000 0.000 0.269 160 L C 1.045 177.907 176.870 -0.013 0.000 1.179 160 L CA 0.133 54.960 54.840 -0.021 0.000 0.828 160 L CB 0.829 42.872 42.059 -0.026 0.000 1.106 160 L HN 0.161 nan 8.230 nan 0.000 0.467 161 M N 4.386 123.977 119.600 -0.015 0.000 2.093 161 M HA 0.470 4.950 4.480 -0.000 0.000 0.297 161 M C -1.050 175.248 176.300 -0.004 0.000 0.938 161 M CA -0.094 55.202 55.300 -0.007 0.000 0.920 161 M CB 2.056 34.651 32.600 -0.009 0.000 1.517 161 M HN 0.407 nan 8.290 nan 0.000 0.427 162 I N 4.336 124.909 120.570 0.006 0.000 2.382 162 I HA 0.420 4.590 4.170 -0.000 0.000 0.285 162 I C -0.727 175.407 176.117 0.027 0.000 1.007 162 I CA -0.495 60.817 61.300 0.021 0.000 1.142 162 I CB 1.067 39.081 38.000 0.023 0.000 1.289 162 I HN 0.614 nan 8.210 nan 0.000 0.453 163 K N 4.182 124.600 120.400 0.030 0.000 2.501 163 K HA 0.625 4.945 4.320 -0.000 0.000 0.252 163 K C -0.049 176.570 176.600 0.033 0.000 0.934 163 K CA -0.975 55.328 56.287 0.028 0.000 0.797 163 K CB 2.223 34.733 32.500 0.015 0.000 1.270 163 K HN 0.721 nan 8.250 nan 0.000 0.431 164 G N 2.821 111.644 108.800 0.037 0.000 2.353 164 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.294 164 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.294 164 G C -0.359 174.574 174.900 0.055 0.000 1.077 164 G CA -0.476 44.647 45.100 0.038 0.000 1.098 164 G HN 0.344 nan 8.290 nan 0.000 0.511 165 I N 0.369 120.991 120.570 0.087 0.000 2.404 165 I HA 0.505 4.675 4.170 -0.000 0.000 0.293 165 I C 0.741 176.953 176.117 0.157 0.000 0.992 165 I CA -0.744 60.645 61.300 0.149 0.000 1.149 165 I CB 1.604 39.727 38.000 0.205 0.000 1.315 165 I HN 0.239 nan 8.210 nan 0.000 0.446 166 R N 3.347 123.955 120.500 0.179 0.000 2.589 166 R HA 0.778 5.118 4.340 -0.000 0.000 0.293 166 R C -0.083 176.416 176.300 0.331 0.000 0.963 166 R CA -0.761 55.457 56.100 0.197 0.000 0.905 166 R CB 2.498 32.878 30.300 0.134 0.000 1.144 166 R HN 0.862 nan 8.270 nan 0.000 0.459 167 G N -0.228 108.786 108.800 0.357 0.000 2.682 167 G HA2 0.374 4.334 3.960 -0.000 0.000 0.300 167 G HA3 0.374 4.334 3.960 -0.000 0.000 0.300 167 G C -1.390 173.801 174.900 0.485 0.000 1.391 167 G CA -0.341 45.070 45.100 0.519 0.000 0.990 167 G HN 0.367 nan 8.290 nan 0.000 0.501 168 S N 1.249 117.149 115.700 0.333 0.000 2.733 168 S HA 0.548 5.018 4.470 -0.000 0.000 0.307 168 S C -1.305 173.287 174.600 -0.014 0.000 1.127 168 S CA -0.646 57.645 58.200 0.151 0.000 1.097 168 S CB 0.444 63.710 63.200 0.111 0.000 1.003 168 S HN 0.571 nan 8.310 nan 0.000 0.477 169 Y N 4.020 124.085 120.300 -0.392 0.000 2.376 169 Y HA 0.669 5.219 4.550 -0.000 0.000 0.325 169 Y C 0.155 175.921 175.900 -0.223 0.000 1.199 169 Y CA 0.052 57.849 58.100 -0.506 0.000 1.206 169 Y CB 1.448 39.289 38.460 -1.030 0.000 1.229 169 Y HN 0.737 nan 8.280 nan 0.000 0.480 170 S N 1.918 117.203 115.700 -0.690 0.000 2.564 170 S HA 0.654 5.124 4.470 -0.000 0.000 0.274 170 S C -0.091 174.212 174.600 -0.495 0.000 1.124 170 S CA -0.381 57.598 58.200 -0.369 0.000 0.869 170 S CB 1.407 64.475 63.200 -0.219 0.000 1.105 170 S HN 1.752 nan 8.310 nan 0.000 0.472 171 G N 0.482 109.204 108.800 -0.129 0.000 2.203 171 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.231 171 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.231 171 G C -0.306 174.704 174.900 0.184 0.000 1.058 171 G CA -0.099 44.980 45.100 -0.035 0.000 0.781 171 G HN 1.387 nan 8.290 nan 0.000 0.496 172 Y N 0.756 121.153 120.300 0.162 0.000 2.712 172 Y HA 0.356 4.905 4.550 -0.000 0.000 0.333 172 Y C 0.429 176.366 175.900 0.062 0.000 1.225 172 Y CA 0.872 59.069 58.100 0.162 0.000 1.499 172 Y CB 0.506 39.013 38.460 0.079 0.000 1.288 172 Y HN 1.039 nan 8.280 nan 0.000 0.575 173 A N 4.374 126.889 122.820 -0.508 0.000 2.520 173 A HA 0.474 4.794 4.320 -0.000 0.000 0.298 173 A C -0.482 176.694 177.584 -0.681 0.000 1.051 173 A CA -0.758 51.048 52.037 -0.385 0.000 0.690 173 A CB 0.715 19.619 19.000 -0.160 0.000 1.281 173 A HN 0.687 nan 8.150 nan 0.000 0.402 174 T N 3.100 117.432 114.554 -0.371 0.000 2.905 174 T HA 0.177 4.527 4.350 -0.000 0.000 0.299 174 T C 0.729 175.254 174.700 -0.292 0.000 1.024 174 T CA 1.258 63.188 62.100 -0.284 0.000 1.151 174 T CB -0.192 68.634 68.868 -0.070 0.000 0.987 174 T HN 0.840 nan 8.240 nan 0.000 0.535 175 N N -0.127 118.371 118.700 -0.337 0.000 2.936 175 N HA -0.158 4.582 4.740 -0.000 0.000 0.236 175 N C 0.084 175.401 175.510 -0.322 0.000 0.930 175 N CA 1.010 53.873 53.050 -0.310 0.000 0.966 175 N CB -0.911 37.452 38.487 -0.206 0.000 1.090 175 N HN 0.708 nan 8.380 nan 0.000 0.592 176 K N 1.177 121.364 120.400 -0.354 0.000 2.448 176 K HA 0.314 4.634 4.320 -0.000 0.000 0.278 176 K C 0.478 176.902 176.600 -0.293 0.000 1.009 176 K CA 0.559 56.680 56.287 -0.276 0.000 0.995 176 K CB 0.300 32.639 32.500 -0.267 0.000 0.917 176 K HN 0.216 nan 8.250 nan 0.000 0.481 177 A N 3.430 126.157 122.820 -0.156 0.000 3.037 177 A HA 0.427 4.747 4.320 -0.000 0.000 0.272 177 A C -0.453 177.080 177.584 -0.085 0.000 1.723 177 A CA 0.061 52.091 52.037 -0.011 0.000 1.413 177 A CB -0.487 18.577 19.000 0.107 0.000 1.112 177 A HN 0.681 nan 8.150 nan 0.000 0.606 178 A N 0.158 122.857 122.820 -0.202 0.000 2.587 178 A HA 0.957 5.277 4.320 -0.000 0.000 0.293 178 A C -0.055 177.339 177.584 -0.318 0.000 1.087 178 A CA -0.094 51.693 52.037 -0.417 0.000 0.692 178 A CB 1.370 20.188 19.000 -0.304 0.000 1.291 178 A HN 1.746 nan 8.150 nan 0.000 0.407 179 G N -1.605 106.960 108.800 -0.392 0.000 2.608 179 G HA2 0.475 4.434 3.960 -0.000 0.000 0.291 179 G HA3 0.475 4.434 3.960 -0.000 0.000 0.291 179 G C 0.249 175.079 174.900 -0.117 0.000 1.425 179 G CA 0.399 45.485 45.100 -0.023 0.000 0.787 179 G HN 1.435 nan 8.290 nan 0.000 0.484 180 C N -1.018 117.947 119.300 -0.559 0.000 3.047 180 C HA 0.526 4.986 4.460 -0.000 0.000 0.286 180 C C 0.904 175.792 174.990 -0.171 0.000 1.337 180 C CA 0.695 59.316 59.018 -0.660 0.000 1.696 180 C CB -0.578 26.604 27.740 -0.929 0.000 2.160 180 C HN 0.477 nan 8.230 nan 0.000 0.545 181 V N 2.906 122.752 119.914 -0.113 0.000 2.398 181 V HA 0.537 4.656 4.120 -0.000 0.000 0.286 181 V C -0.609 175.429 176.094 -0.093 0.000 1.026 181 V CA -0.281 61.973 62.300 -0.076 0.000 0.868 181 V CB 1.264 33.055 31.823 -0.054 0.000 0.982 181 V HN 0.446 nan 8.190 nan 0.000 0.443 182 L N 5.135 126.215 121.223 -0.238 0.000 2.343 182 L HA 0.873 5.212 4.340 -0.000 0.000 0.278 182 L C 0.060 176.772 176.870 -0.264 0.000 0.996 182 L CA -0.460 54.130 54.840 -0.416 0.000 0.831 182 L CB 1.382 42.765 42.059 -1.127 0.000 1.232 182 L HN 0.698 nan 8.230 nan 0.000 0.413 183 A N 3.590 126.307 122.820 -0.171 0.000 2.322 183 A HA 0.472 4.792 4.320 -0.000 0.000 0.327 183 A C -0.737 176.779 177.584 -0.113 0.000 1.394 183 A CA -0.515 51.455 52.037 -0.112 0.000 0.921 183 A CB -0.059 18.901 19.000 -0.066 0.000 1.153 183 A HN 0.680 nan 8.150 nan 0.000 0.523 184 D N 2.300 122.638 120.400 -0.103 0.000 2.380 184 D HA 0.326 4.966 4.640 -0.000 0.000 0.230 184 D C 0.419 176.698 176.300 -0.035 0.000 1.154 184 D CA 0.547 54.498 54.000 -0.082 0.000 0.859 184 D CB 0.228 40.983 40.800 -0.075 0.000 1.045 184 D HN 0.499 nan 8.370 nan 0.000 0.495 185 S N 1.156 116.830 115.700 -0.042 0.000 3.561 185 S HA -0.184 4.286 4.470 -0.000 0.000 0.318 185 S C 0.415 175.004 174.600 -0.020 0.000 1.181 185 S CA 0.842 59.024 58.200 -0.029 0.000 0.916 185 S CB -2.094 61.097 63.200 -0.014 0.000 0.966 185 S HN 0.735 nan 8.310 nan 0.000 0.550 186 S N 0.543 116.227 115.700 -0.026 0.000 2.592 186 S HA 0.685 5.154 4.470 -0.000 0.000 0.271 186 S C 0.345 174.947 174.600 0.004 0.000 1.326 186 S CA -0.080 58.111 58.200 -0.014 0.000 1.024 186 S CB 1.586 64.773 63.200 -0.022 0.000 0.921 186 S HN 1.327 nan 8.310 nan 0.000 0.527 187 V N -1.062 118.872 119.914 0.033 0.000 3.001 187 V HA 0.625 4.745 4.120 -0.000 0.000 0.314 187 V C -0.180 175.966 176.094 0.086 0.000 1.099 187 V CA -1.281 61.074 62.300 0.092 0.000 0.989 187 V CB 0.511 32.425 31.823 0.151 0.000 1.040 187 V HN 1.069 nan 8.190 nan 0.000 0.434 188 N N 0.819 119.599 118.700 0.133 0.000 2.716 188 N HA -0.162 4.578 4.740 -0.000 0.000 0.250 188 N C -0.125 175.412 175.510 0.044 0.000 1.033 188 N CA 0.989 54.088 53.050 0.082 0.000 0.727 188 N CB -0.930 37.582 38.487 0.042 0.000 0.950 188 N HN 0.847 nan 8.380 nan 0.000 0.541 189 S N 0.100 115.824 115.700 0.040 0.000 2.566 189 S HA 0.704 5.174 4.470 -0.000 0.000 0.298 189 S C -0.209 174.402 174.600 0.018 0.000 1.083 189 S CA -0.799 57.412 58.200 0.018 0.000 0.978 189 S CB 1.947 65.150 63.200 0.005 0.000 1.073 189 S HN 0.195 nan 8.310 nan 0.000 0.491 190 L N 2.488 123.718 121.223 0.012 0.000 2.341 190 L HA 0.627 4.966 4.340 -0.000 0.000 0.278 190 L C -1.043 175.833 176.870 0.011 0.000 1.005 190 L CA -0.446 54.402 54.840 0.013 0.000 0.818 190 L CB 1.198 43.264 42.059 0.012 0.000 1.259 190 L HN 0.503 nan 8.230 nan 0.000 0.418 191 I N 2.519 123.097 120.570 0.013 0.000 2.439 191 I HA 0.367 4.537 4.170 -0.000 0.000 0.283 191 I C -1.253 174.876 176.117 0.020 0.000 1.023 191 I CA -0.267 61.042 61.300 0.015 0.000 1.100 191 I CB 1.945 39.952 38.000 0.011 0.000 1.238 191 I HN 0.495 nan 8.210 nan 0.000 0.445 192 D N 5.347 125.761 120.400 0.023 0.000 2.879 192 D HA 0.361 5.001 4.640 -0.000 0.000 0.236 192 D C -0.737 175.580 176.300 0.029 0.000 1.171 192 D CA -0.351 53.663 54.000 0.024 0.000 0.868 192 D CB 1.423 42.235 40.800 0.020 0.000 1.598 192 D HN 0.551 nan 8.370 nan 0.000 0.497 193 N N 1.188 119.906 118.700 0.030 0.000 2.643 193 N HA -0.119 4.621 4.740 -0.000 0.000 0.267 193 N C -1.382 174.153 175.510 0.043 0.000 1.158 193 N CA 0.185 53.255 53.050 0.033 0.000 0.684 193 N CB -0.451 38.053 38.487 0.028 0.000 0.879 193 N HN 0.099 nan 8.380 nan 0.000 0.553 194 V N 2.381 122.322 119.914 0.045 0.000 2.555 194 V HA 0.599 4.719 4.120 -0.000 0.000 0.302 194 V C 0.356 176.486 176.094 0.060 0.000 1.038 194 V CA -0.533 61.801 62.300 0.057 0.000 0.887 194 V CB 2.039 33.888 31.823 0.044 0.000 0.991 194 V HN 0.226 nan 8.190 nan 0.000 0.434 195 I N 3.996 124.614 120.570 0.081 0.000 2.448 195 I HA 0.730 4.900 4.170 -0.000 0.000 0.281 195 I C 0.007 176.202 176.117 0.130 0.000 1.027 195 I CA -0.476 60.877 61.300 0.089 0.000 1.111 195 I CB 1.698 39.746 38.000 0.081 0.000 1.236 195 I HN 0.668 nan 8.210 nan 0.000 0.452 196 A N 6.400 129.300 122.820 0.134 0.000 2.343 196 A HA 0.777 5.097 4.320 -0.000 0.000 0.316 196 A C -0.717 177.036 177.584 0.282 0.000 1.104 196 A CA -0.701 51.472 52.037 0.226 0.000 0.768 196 A CB 1.229 20.261 19.000 0.054 0.000 1.213 196 A HN 0.671 nan 8.150 nan 0.000 0.456 197 K N 1.621 122.246 120.400 0.374 0.000 2.413 197 K HA 0.408 4.728 4.320 -0.000 0.000 0.257 197 K C 0.031 176.752 176.600 0.202 0.000 0.946 197 K CA -0.643 55.780 56.287 0.227 0.000 0.823 197 K CB 1.191 33.775 32.500 0.140 0.000 1.109 197 K HN 0.900 nan 8.250 nan 0.000 0.427 198 N N 1.879 120.674 118.700 0.159 0.000 2.782 198 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 198 N C -1.068 174.556 175.510 0.190 0.000 1.101 198 N CA 0.326 53.456 53.050 0.133 0.000 0.764 198 N CB -0.476 38.077 38.487 0.110 0.000 1.122 198 N HN 0.466 nan 8.380 nan 0.000 0.561 199 Y N 0.455 120.797 120.300 0.069 0.000 2.336 199 Y HA 0.229 4.778 4.550 -0.000 0.000 0.331 199 Y C -1.247 174.572 175.900 -0.135 0.000 1.211 199 Y CA -1.091 56.878 58.100 -0.218 0.000 1.346 199 Y CB 0.450 38.812 38.460 -0.163 0.000 1.271 199 Y HN 0.131 nan 8.280 nan 0.000 0.538 200 P HA -0.035 nan 4.420 nan 0.000 0.311 200 P C 0.617 177.722 177.300 -0.324 0.000 1.395 200 P CA 0.459 63.327 63.100 -0.386 0.000 0.860 200 P CB 0.297 31.582 31.700 -0.691 0.000 2.148 201 Q N -0.646 118.849 119.800 -0.509 0.000 2.077 201 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 201 Q C 1.600 177.187 176.000 -0.688 0.000 0.989 201 Q CA 2.201 57.598 55.803 -0.678 0.000 0.853 201 Q CB -1.039 27.043 28.738 -1.094 0.000 0.907 201 Q HN 0.220 nan 8.270 nan 0.000 0.418 202 F N -0.163 119.655 119.950 -0.221 0.000 2.765 202 F HA 0.376 4.903 4.527 -0.000 0.000 0.302 202 F C 1.592 177.389 175.800 -0.005 0.000 1.111 202 F CA 0.379 58.270 58.000 -0.182 0.000 1.359 202 F CB -0.262 38.748 39.000 0.017 0.000 1.097 202 F HN 0.298 nan 8.300 nan 0.000 0.577 203 G N 1.269 110.125 108.800 0.094 0.000 2.582 203 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.288 203 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.288 203 G C 1.290 176.177 174.900 -0.022 0.000 1.247 203 G CA 0.498 45.661 45.100 0.105 0.000 0.972 203 G HN 0.518 nan 8.290 nan 0.000 0.557 204 A N -1.565 121.255 122.820 0.000 0.000 1.878 204 A HA 0.562 4.882 4.320 -0.000 0.000 0.213 204 A C 1.048 178.595 177.584 -0.062 0.000 1.192 204 A CA 2.409 54.390 52.037 -0.093 0.000 0.619 204 A CB 0.044 19.040 19.000 -0.006 0.000 0.837 204 A HN 1.678 nan 8.150 nan 0.000 0.446 205 V N 0.423 120.356 119.914 0.031 0.000 2.569 205 V HA 0.373 4.493 4.120 -0.000 0.000 0.301 205 V C -0.852 175.304 176.094 0.103 0.000 1.044 205 V CA -0.696 61.628 62.300 0.040 0.000 0.874 205 V CB 1.653 33.495 31.823 0.031 0.000 1.002 205 V HN 0.530 nan 8.190 nan 0.000 0.424 206 E N 4.812 125.065 120.200 0.088 0.000 2.171 206 E HA 0.658 5.008 4.350 -0.000 0.000 0.271 206 E C -1.492 175.117 176.600 0.015 0.000 0.916 206 E CA -0.649 55.828 56.400 0.129 0.000 0.774 206 E CB 1.578 31.365 29.700 0.145 0.000 1.128 206 E HN 0.632 nan 8.360 nan 0.000 0.403 207 L N 4.124 125.367 121.223 0.033 0.000 2.309 207 L HA 0.538 4.878 4.340 -0.000 0.000 0.282 207 L C 0.014 176.871 176.870 -0.022 0.000 1.036 207 L CA -0.611 54.217 54.840 -0.021 0.000 0.806 207 L CB 1.406 43.451 42.059 -0.024 0.000 1.220 207 L HN 0.484 nan 8.230 nan 0.000 0.429 208 K N 1.083 121.447 120.400 -0.060 0.000 2.477 208 K HA 0.670 4.990 4.320 -0.000 0.000 0.255 208 K C 0.287 176.853 176.600 -0.057 0.000 0.952 208 K CA 0.188 56.439 56.287 -0.060 0.000 0.826 208 K CB 2.050 34.478 32.500 -0.120 0.000 1.331 208 K HN 0.674 nan 8.250 nan 0.000 0.437 209 G N 0.822 109.596 108.800 -0.044 0.000 2.583 209 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.292 209 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.292 209 G C 0.541 175.413 174.900 -0.046 0.000 1.203 209 G CA 0.618 45.694 45.100 -0.040 0.000 0.987 209 G HN 0.846 nan 8.290 nan 0.000 0.554 210 T N -0.452 114.076 114.554 -0.044 0.000 3.324 210 T HA 0.611 4.961 4.350 -0.000 0.000 0.250 210 T C 1.061 175.715 174.700 -0.076 0.000 1.059 210 T CA 1.248 63.316 62.100 -0.053 0.000 0.951 210 T CB -0.212 68.635 68.868 -0.035 0.000 1.030 210 T HN 2.043 nan 8.240 nan 0.000 0.576 211 A N 1.950 124.726 122.820 -0.074 0.000 2.566 211 A HA 0.497 4.817 4.320 -0.000 0.000 0.245 211 A C 0.646 178.142 177.584 -0.148 0.000 1.056 211 A CA -0.247 51.740 52.037 -0.085 0.000 0.757 211 A CB -0.259 18.700 19.000 -0.068 0.000 0.979 211 A HN 0.883 nan 8.150 nan 0.000 0.508 212 S N 1.038 116.620 115.700 -0.197 0.000 2.550 212 S HA 0.564 5.034 4.470 -0.000 0.000 0.270 212 S C -0.666 173.723 174.600 -0.351 0.000 1.145 212 S CA -0.522 57.409 58.200 -0.448 0.000 0.852 212 S CB 0.458 63.174 63.200 -0.806 0.000 1.119 212 S HN 1.355 nan 8.310 nan 0.000 0.465 213 Y N -1.409 118.889 120.300 -0.003 0.000 3.929 213 Y HA -0.239 4.311 4.550 -0.000 0.000 0.225 213 Y C -0.202 175.696 175.900 -0.003 0.000 1.200 213 Y CA 0.217 58.316 58.100 -0.002 0.000 1.791 213 Y CB -2.918 35.540 38.460 -0.003 0.000 1.561 213 Y HN 0.793 nan 8.280 nan 0.000 0.657 214 N N 0.503 119.241 118.700 0.063 0.000 2.472 214 N HA 0.768 5.508 4.740 -0.000 0.000 0.289 214 N C -0.438 175.095 175.510 0.038 0.000 1.156 214 N CA -0.814 52.262 53.050 0.043 0.000 0.940 214 N CB 1.502 39.995 38.487 0.010 0.000 1.200 214 N HN 0.187 nan 8.380 nan 0.000 0.511 215 I N 1.184 121.774 120.570 0.033 0.000 2.406 215 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 215 I C -0.946 175.184 176.117 0.022 0.000 0.999 215 I CA -0.955 60.363 61.300 0.029 0.000 1.124 215 I CB 1.601 39.620 38.000 0.031 0.000 1.289 215 I HN 0.109 nan 8.210 nan 0.000 0.441 216 V N 5.305 125.232 119.914 0.022 0.000 2.384 216 V HA 0.556 4.676 4.120 -0.000 0.000 0.287 216 V C -0.106 176.003 176.094 0.026 0.000 1.020 216 V CA -0.311 62.002 62.300 0.022 0.000 0.850 216 V CB 1.609 33.445 31.823 0.021 0.000 0.987 216 V HN 0.886 nan 8.190 nan 0.000 0.436 217 S N 3.159 118.875 115.700 0.026 0.000 2.546 217 S HA 0.632 5.101 4.470 -0.000 0.000 0.274 217 S C -0.491 174.125 174.600 0.027 0.000 1.121 217 S CA -0.848 57.368 58.200 0.027 0.000 0.887 217 S CB 1.690 64.905 63.200 0.025 0.000 1.094 217 S HN 0.679 nan 8.310 nan 0.000 0.474 218 N N -0.250 118.466 118.700 0.027 0.000 2.681 218 N HA -0.101 4.638 4.740 -0.000 0.000 0.259 218 N C -1.129 174.399 175.510 0.029 0.000 1.066 218 N CA 0.632 53.698 53.050 0.026 0.000 0.717 218 N CB -1.336 37.166 38.487 0.024 0.000 0.885 218 N HN 0.705 nan 8.380 nan 0.000 0.547 219 V N 2.033 121.966 119.914 0.031 0.000 2.384 219 V HA 0.495 4.615 4.120 -0.000 0.000 0.287 219 V C 0.836 176.951 176.094 0.035 0.000 1.020 219 V CA -0.593 61.728 62.300 0.035 0.000 0.850 219 V CB 1.755 33.601 31.823 0.037 0.000 0.987 219 V HN 0.204 nan 8.190 nan 0.000 0.436 220 I N 4.149 124.742 120.570 0.038 0.000 2.339 220 I HA 0.644 4.814 4.170 -0.000 0.000 0.290 220 I C 0.677 176.823 176.117 0.048 0.000 0.994 220 I CA -0.228 61.094 61.300 0.037 0.000 1.191 220 I CB 1.795 39.816 38.000 0.035 0.000 1.343 220 I HN 0.711 nan 8.210 nan 0.000 0.458 221 G N 4.696 113.522 108.800 0.044 0.000 2.544 221 G HA2 0.709 4.669 3.960 -0.000 0.000 0.313 221 G HA3 0.709 4.669 3.960 -0.000 0.000 0.313 221 G C -1.023 173.900 174.900 0.038 0.000 1.316 221 G CA -0.448 44.689 45.100 0.061 0.000 0.944 221 G HN 0.720 nan 8.290 nan 0.000 0.489 222 A N 3.012 125.863 122.820 0.053 0.000 2.303 222 A HA 0.669 4.989 4.320 -0.000 0.000 0.320 222 A C 0.336 177.925 177.584 0.008 0.000 1.192 222 A CA -0.482 51.565 52.037 0.016 0.000 0.821 222 A CB 0.520 19.534 19.000 0.022 0.000 1.188 222 A HN 0.823 nan 8.150 nan 0.000 0.492 223 D N 0.358 120.730 120.400 -0.046 0.000 2.837 223 D HA -0.164 4.476 4.640 -0.000 0.000 0.230 223 D C -0.072 176.168 176.300 -0.099 0.000 1.152 223 D CA 1.063 55.001 54.000 -0.103 0.000 0.736 223 D CB -1.986 38.744 40.800 -0.116 0.000 1.084 223 D HN 0.525 nan 8.370 nan 0.000 0.429 224 C N 0.088 119.386 119.300 -0.004 0.000 2.362 224 C HA 0.214 4.674 4.460 -0.000 0.000 0.363 224 C C 2.231 177.269 174.990 0.080 0.000 1.220 224 C CA -0.571 58.503 59.018 0.093 0.000 2.379 224 C CB 1.676 29.493 27.740 0.128 0.000 2.351 224 C HN 0.386 nan 8.230 nan 0.000 0.582 225 Q N 0.075 119.965 119.800 0.150 0.000 2.046 225 Q HA -0.067 4.272 4.340 -0.000 0.000 0.200 225 Q C 0.125 175.966 176.000 -0.265 0.000 0.975 225 Q CA 1.548 57.319 55.803 -0.054 0.000 0.836 225 Q CB 0.119 28.711 28.738 -0.242 0.000 0.896 225 Q HN 0.785 nan 8.270 nan 0.000 0.428 226 H N -1.582 117.579 119.070 0.152 0.000 2.821 226 H HA 0.213 4.768 4.556 -0.000 0.000 0.373 226 H C 0.572 175.981 175.328 0.136 0.000 1.165 226 H CA -0.515 55.639 56.048 0.178 0.000 1.154 226 H CB 2.045 31.956 29.762 0.249 0.000 1.765 226 H HN -0.042 nan 8.280 nan 0.000 0.549 227 V N 0.861 120.921 119.914 0.243 0.000 2.403 227 V HA -0.036 4.084 4.120 -0.000 0.000 0.239 227 V C 1.157 177.346 176.094 0.159 0.000 1.041 227 V CA 1.680 64.073 62.300 0.155 0.000 1.051 227 V CB 0.044 31.925 31.823 0.097 0.000 0.704 227 V HN 0.891 nan 8.190 nan 0.000 0.472 228 T N -1.721 112.931 114.554 0.164 0.000 2.888 228 T HA 0.633 4.983 4.350 -0.000 0.000 0.284 228 T C -1.328 173.497 174.700 0.209 0.000 1.017 228 T CA -0.477 61.717 62.100 0.157 0.000 1.022 228 T CB 1.960 70.882 68.868 0.090 0.000 1.013 228 T HN 0.188 nan 8.240 nan 0.000 0.465 229 Y N 1.953 122.290 120.300 0.062 0.000 2.396 229 Y HA 0.517 5.067 4.550 -0.000 0.000 0.332 229 Y C -1.456 174.466 175.900 0.037 0.000 1.034 229 Y CA -1.035 57.089 58.100 0.040 0.000 1.057 229 Y CB 1.878 40.408 38.460 0.117 0.000 1.220 229 Y HN 0.722 nan 8.280 nan 0.000 0.440 230 N N 3.612 122.139 118.700 -0.288 0.000 2.476 230 N HA 0.576 5.316 4.740 -0.000 0.000 0.257 230 N C -0.433 174.933 175.510 -0.239 0.000 0.970 230 N CA -0.214 52.739 53.050 -0.161 0.000 0.938 230 N CB 1.914 40.312 38.487 -0.148 0.000 1.144 230 N HN 0.879 nan 8.380 nan 0.000 0.500 231 G N -0.633 108.186 108.800 0.031 0.000 2.714 231 G HA2 0.707 4.667 3.960 -0.000 0.000 0.292 231 G HA3 0.707 4.667 3.960 -0.000 0.000 0.292 231 G C -1.038 173.897 174.900 0.057 0.000 1.308 231 G CA -0.355 44.823 45.100 0.130 0.000 0.964 231 G HN 0.337 nan 8.290 nan 0.000 0.484 232 T N -1.430 113.162 114.554 0.062 0.000 2.885 232 T HA 0.423 4.773 4.350 -0.000 0.000 0.322 232 T C -0.443 174.274 174.700 0.029 0.000 1.387 232 T CA -0.444 61.668 62.100 0.020 0.000 1.041 232 T CB 1.906 70.772 68.868 -0.003 0.000 1.287 232 T HN 0.474 nan 8.240 nan 0.000 0.491 233 E N 0.890 121.094 120.200 0.006 0.000 2.526 233 E HA 0.313 4.663 4.350 -0.000 0.000 0.208 233 E C 0.831 177.431 176.600 0.000 0.000 0.997 233 E CA -0.317 56.087 56.400 0.007 0.000 0.961 233 E CB 0.946 30.643 29.700 -0.005 0.000 1.030 233 E HN 0.656 nan 8.360 nan 0.000 0.483 234 G N 1.158 109.956 108.800 -0.004 0.000 3.016 234 G HA2 0.247 4.206 3.960 -0.000 0.000 0.270 234 G HA3 0.247 4.206 3.960 -0.000 0.000 0.270 234 G C -1.857 173.040 174.900 -0.005 0.000 1.352 234 G CA -0.876 44.221 45.100 -0.006 0.000 1.060 234 G HN -0.162 nan 8.290 nan 0.000 0.538 235 P HA 0.156 nan 4.420 nan 0.000 0.225 235 P C 0.086 177.381 177.300 -0.008 0.000 1.156 235 P CA 0.623 63.721 63.100 -0.005 0.000 0.787 235 P CB 0.498 32.196 31.700 -0.003 0.000 0.802 236 I N 0.003 120.565 120.570 -0.013 0.000 2.474 236 I HA 0.526 4.696 4.170 -0.000 0.000 0.294 236 I C 0.338 176.439 176.117 -0.027 0.000 1.005 236 I CA -1.885 59.403 61.300 -0.020 0.000 1.113 236 I CB 1.216 39.203 38.000 -0.022 0.000 1.289 236 I HN -0.135 nan 8.210 nan 0.000 0.436 237 A N 7.476 130.276 122.820 -0.033 0.000 2.346 237 A HA 0.914 5.234 4.320 -0.000 0.000 0.313 237 A C -2.667 174.883 177.584 -0.057 0.000 1.140 237 A CA -1.777 50.235 52.037 -0.041 0.000 0.826 237 A CB 0.799 19.774 19.000 -0.041 0.000 1.332 237 A HN 0.470 nan 8.150 nan 0.000 0.457 238 P HA 0.198 nan 4.420 nan 0.000 0.262 238 P C -0.613 176.636 177.300 -0.085 0.000 1.182 238 P CA 0.814 63.866 63.100 -0.079 0.000 0.761 238 P CB 0.641 32.300 31.700 -0.068 0.000 0.795 239 S N 2.417 118.045 115.700 -0.119 0.000 2.556 239 S HA 0.355 4.825 4.470 -0.000 0.000 0.271 239 S C -0.323 174.168 174.600 -0.182 0.000 1.135 239 S CA -0.883 57.246 58.200 -0.118 0.000 0.858 239 S CB 1.213 64.349 63.200 -0.106 0.000 1.114 239 S HN 0.518 nan 8.310 nan 0.000 0.468 240 N N 0.985 119.610 118.700 -0.124 0.000 2.740 240 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 240 N C -1.064 174.382 175.510 -0.106 0.000 1.062 240 N CA 0.506 53.484 53.050 -0.119 0.000 0.704 240 N CB -0.927 37.421 38.487 -0.230 0.000 0.968 240 N HN 0.458 nan 8.380 nan 0.000 0.547 241 N N 0.531 119.193 118.700 -0.064 0.000 2.384 241 N HA 0.524 5.264 4.740 -0.000 0.000 0.301 241 N C -0.871 174.644 175.510 0.007 0.000 1.133 241 N CA -0.576 52.458 53.050 -0.027 0.000 0.853 241 N CB 1.945 40.408 38.487 -0.040 0.000 1.241 241 N HN 0.061 nan 8.380 nan 0.000 0.502 242 L N 1.970 123.207 121.223 0.023 0.000 2.287 242 L HA 0.584 4.924 4.340 -0.000 0.000 0.287 242 L C -1.083 175.803 176.870 0.027 0.000 1.022 242 L CA -0.270 54.589 54.840 0.031 0.000 0.814 242 L CB 0.554 42.637 42.059 0.039 0.000 1.217 242 L HN 0.454 nan 8.230 nan 0.000 0.420 243 I N 6.147 126.734 120.570 0.029 0.000 2.411 243 I HA 0.414 4.584 4.170 -0.000 0.000 0.284 243 I C -0.832 175.307 176.117 0.037 0.000 1.012 243 I CA -0.551 60.767 61.300 0.030 0.000 1.119 243 I CB 1.223 39.238 38.000 0.026 0.000 1.261 243 I HN 0.619 nan 8.210 nan 0.000 0.448 244 K N 4.471 124.892 120.400 0.036 0.000 2.541 244 K HA 0.768 5.088 4.320 -0.000 0.000 0.250 244 K C -0.185 176.435 176.600 0.035 0.000 0.950 244 K CA -0.821 55.488 56.287 0.038 0.000 0.805 244 K CB 2.079 34.601 32.500 0.037 0.000 1.166 244 K HN 0.714 nan 8.250 nan 0.000 0.430 245 G N 1.520 110.342 108.800 0.036 0.000 2.851 245 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.272 245 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.272 245 G C -0.735 174.183 174.900 0.031 0.000 1.100 245 G CA -0.366 44.752 45.100 0.030 0.000 1.197 245 G HN 0.451 nan 8.290 nan 0.000 0.561 246 V N 2.704 122.638 119.914 0.033 0.000 2.384 246 V HA 0.758 4.877 4.120 -0.000 0.000 0.287 246 V C 0.416 176.525 176.094 0.026 0.000 1.020 246 V CA -0.664 61.656 62.300 0.034 0.000 0.850 246 V CB 1.723 33.572 31.823 0.043 0.000 0.987 246 V HN 0.739 nan 8.190 nan 0.000 0.436 247 M N 5.743 125.355 119.600 0.020 0.000 2.072 247 M HA 0.745 5.224 4.480 -0.000 0.000 0.331 247 M C -0.230 176.070 176.300 -0.001 0.000 1.004 247 M CA -0.604 54.700 55.300 0.007 0.000 0.952 247 M CB 1.084 33.687 32.600 0.006 0.000 1.511 247 M HN 0.667 nan 8.290 nan 0.000 0.422 248 A N 4.706 127.512 122.820 -0.024 0.000 2.394 248 A HA 0.471 4.791 4.320 -0.000 0.000 0.333 248 A C -0.465 177.053 177.584 -0.109 0.000 1.397 248 A CA -0.666 51.337 52.037 -0.056 0.000 0.884 248 A CB -0.351 18.610 19.000 -0.065 0.000 1.147 248 A HN 0.786 nan 8.150 nan 0.000 0.505 249 N N 3.179 121.831 118.700 -0.081 0.000 2.508 249 N HA 0.013 4.753 4.740 -0.000 0.000 0.253 249 N C -0.267 175.161 175.510 -0.135 0.000 1.145 249 N CA 0.213 53.207 53.050 -0.093 0.000 0.973 249 N CB -0.581 37.878 38.487 -0.047 0.000 1.305 249 N HN 0.583 nan 8.380 nan 0.000 0.506 250 N N 1.515 120.076 118.700 -0.231 0.000 2.708 250 N HA -0.122 4.618 4.740 -0.000 0.000 0.255 250 N C -2.487 172.886 175.510 -0.227 0.000 1.046 250 N CA 0.288 53.180 53.050 -0.263 0.000 0.715 250 N CB -0.549 37.857 38.487 -0.136 0.000 0.895 250 N HN 0.532 nan 8.380 nan 0.000 0.545 251 P HA 0.109 nan 4.420 nan 0.000 0.275 251 P C 0.477 177.786 177.300 0.014 0.000 1.266 251 P CA -0.095 62.937 63.100 -0.114 0.000 0.793 251 P CB 0.836 32.496 31.700 -0.066 0.000 1.074 252 K N -1.044 119.403 120.400 0.078 0.000 2.352 252 K HA 0.096 4.416 4.320 -0.000 0.000 0.194 252 K C 1.178 177.942 176.600 0.273 0.000 1.038 252 K CA 0.880 57.257 56.287 0.150 0.000 1.023 252 K CB -0.116 32.441 32.500 0.095 0.000 0.840 252 K HN 0.451 nan 8.250 nan 0.000 0.519 253 Y N -1.361 119.022 120.300 0.138 0.000 2.965 253 Y HA 0.502 5.052 4.550 -0.000 0.000 0.242 253 Y C -0.894 175.209 175.900 0.338 0.000 1.078 253 Y CA 0.062 58.275 58.100 0.188 0.000 1.288 253 Y CB 1.109 39.603 38.460 0.057 0.000 1.459 253 Y HN -0.166 nan 8.280 nan 0.000 0.438 254 A N -0.326 122.753 122.820 0.432 0.000 2.594 254 A HA 0.680 5.000 4.320 -0.000 0.000 0.295 254 A C 0.236 177.998 177.584 0.297 0.000 1.071 254 A CA -0.112 52.142 52.037 0.360 0.000 0.685 254 A CB 0.502 19.719 19.000 0.362 0.000 1.285 254 A HN 0.516 nan 8.150 nan 0.000 0.405 255 A N 0.405 123.344 122.820 0.198 0.000 1.855 255 A HA 0.414 4.734 4.320 -0.000 0.000 0.215 255 A C 0.686 178.357 177.584 0.145 0.000 1.191 255 A CA 1.955 54.069 52.037 0.127 0.000 0.613 255 A CB -0.300 18.749 19.000 0.082 0.000 0.829 255 A HN 1.379 nan 8.150 nan 0.000 0.442 256 V N 0.122 120.108 119.914 0.120 0.000 2.577 256 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 256 V C -1.081 175.020 176.094 0.012 0.000 1.042 256 V CA -0.604 61.739 62.300 0.071 0.000 0.872 256 V CB 1.886 33.732 31.823 0.039 0.000 0.998 256 V HN 0.067 nan 8.190 nan 0.000 0.423 257 V N 4.516 124.393 119.914 -0.061 0.000 2.294 257 V HA 0.388 4.507 4.120 -0.000 0.000 0.272 257 V C 1.134 177.082 176.094 -0.243 0.000 1.027 257 V CA 0.411 62.574 62.300 -0.228 0.000 0.823 257 V CB 1.077 32.588 31.823 -0.520 0.000 1.030 257 V HN 1.047 nan 8.190 nan 0.000 0.457 258 A N 3.937 126.655 122.820 -0.170 0.000 2.066 258 A HA 0.476 4.796 4.320 -0.000 0.000 0.218 258 A C 1.444 178.938 177.584 -0.150 0.000 1.157 258 A CA 1.107 53.069 52.037 -0.125 0.000 0.670 258 A CB -0.538 18.415 19.000 -0.078 0.000 0.804 258 A HN 1.696 nan 8.150 nan 0.000 0.453 259 G N -1.058 107.622 108.800 -0.201 0.000 2.660 259 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 259 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 259 G C 0.262 175.100 174.900 -0.104 0.000 1.345 259 G CA 0.113 45.096 45.100 -0.194 0.000 0.877 259 G HN 0.290 nan 8.290 nan 0.000 0.549 260 K N 0.499 120.850 120.400 -0.081 0.000 2.404 260 K HA 0.260 4.579 4.320 -0.000 0.000 0.194 260 K C 1.687 178.269 176.600 -0.029 0.000 1.023 260 K CA 0.527 56.789 56.287 -0.041 0.000 1.094 260 K CB 0.407 32.888 32.500 -0.031 0.000 0.841 260 K HN 0.754 nan 8.250 nan 0.000 0.523 261 G N 0.878 109.654 108.800 -0.040 0.000 2.535 261 G HA2 0.229 4.189 3.960 -0.000 0.000 0.282 261 G HA3 0.229 4.189 3.960 -0.000 0.000 0.282 261 G C -0.340 174.548 174.900 -0.020 0.000 1.350 261 G CA -0.438 44.642 45.100 -0.035 0.000 1.039 261 G HN 0.199 nan 8.290 nan 0.000 0.509 262 S N -2.961 112.727 115.700 -0.021 0.000 2.599 262 S HA 0.529 4.999 4.470 -0.000 0.000 0.287 262 S C 0.213 174.809 174.600 -0.007 0.000 1.105 262 S CA 0.491 58.689 58.200 -0.003 0.000 0.899 262 S CB 1.332 64.533 63.200 0.002 0.000 1.100 262 S HN 2.224 nan 8.310 nan 0.000 0.482 263 T N -0.688 113.874 114.554 0.015 0.000 3.946 263 T HA -0.203 4.146 4.350 -0.000 0.000 0.356 263 T C -0.332 174.375 174.700 0.011 0.000 0.758 263 T CA 0.732 62.844 62.100 0.020 0.000 1.911 263 T CB -2.623 66.257 68.868 0.020 0.000 1.835 263 T HN 0.772 nan 8.240 nan 0.000 0.807 264 N N 0.602 119.309 118.700 0.011 0.000 2.498 264 N HA 0.559 5.299 4.740 -0.000 0.000 0.287 264 N C -0.390 175.141 175.510 0.035 0.000 1.097 264 N CA -0.727 52.329 53.050 0.010 0.000 0.973 264 N CB 1.567 40.052 38.487 -0.004 0.000 1.153 264 N HN 0.346 nan 8.380 nan 0.000 0.472 265 L N 3.400 124.646 121.223 0.037 0.000 2.294 265 L HA 0.533 4.873 4.340 -0.000 0.000 0.283 265 L C -0.909 175.991 176.870 0.051 0.000 1.015 265 L CA -0.377 54.495 54.840 0.052 0.000 0.831 265 L CB 0.283 42.372 42.059 0.049 0.000 1.217 265 L HN 0.423 nan 8.230 nan 0.000 0.420 266 I N 3.722 124.329 120.570 0.061 0.000 2.378 266 I HA 0.513 4.682 4.170 -0.000 0.000 0.291 266 I C -0.127 176.035 176.117 0.074 0.000 0.992 266 I CA -0.321 61.013 61.300 0.056 0.000 1.154 266 I CB 1.841 39.868 38.000 0.045 0.000 1.315 266 I HN 0.618 nan 8.210 nan 0.000 0.448 267 S N 4.782 120.523 115.700 0.068 0.000 2.614 267 S HA 0.418 4.887 4.470 -0.000 0.000 0.275 267 S C -1.541 173.101 174.600 0.069 0.000 1.161 267 S CA -0.466 57.781 58.200 0.078 0.000 0.969 267 S CB 0.620 63.863 63.200 0.072 0.000 1.059 267 S HN 0.695 nan 8.310 nan 0.000 0.482 268 D N 1.706 122.154 120.400 0.080 0.000 3.916 268 D HA -0.099 4.541 4.640 -0.000 0.000 0.250 268 D C -1.054 175.279 176.300 0.055 0.000 1.058 268 D CA 0.681 54.721 54.000 0.065 0.000 1.130 268 D CB -1.076 39.752 40.800 0.047 0.000 0.913 268 D HN 0.331 nan 8.370 nan 0.000 0.418 269 V N 2.763 122.717 119.914 0.066 0.000 2.407 269 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 269 V C 0.473 176.600 176.094 0.055 0.000 1.018 269 V CA -0.775 61.560 62.300 0.058 0.000 0.842 269 V CB 2.124 33.988 31.823 0.068 0.000 0.996 269 V HN 0.397 nan 8.190 nan 0.000 0.426 270 L N 5.839 127.081 121.223 0.032 0.000 2.305 270 L HA 0.843 5.182 4.340 -0.000 0.000 0.284 270 L C -0.966 175.908 176.870 0.006 0.000 1.013 270 L CA -0.475 54.377 54.840 0.019 0.000 0.819 270 L CB 1.710 43.768 42.059 -0.002 0.000 1.227 270 L HN 0.530 nan 8.230 nan 0.000 0.417 271 V N 4.426 124.348 119.914 0.014 0.000 2.638 271 V HA 0.547 4.667 4.120 -0.000 0.000 0.306 271 V C -1.567 174.493 176.094 -0.057 0.000 1.052 271 V CA -0.330 61.942 62.300 -0.047 0.000 0.885 271 V CB 2.302 34.110 31.823 -0.025 0.000 0.999 271 V HN 0.855 nan 8.190 nan 0.000 0.424 272 D N 3.980 124.282 120.400 -0.164 0.000 2.498 272 D HA 0.435 5.075 4.640 -0.000 0.000 0.247 272 D C -0.640 175.487 176.300 -0.288 0.000 1.070 272 D CA -0.114 53.817 54.000 -0.116 0.000 0.842 272 D CB 1.770 42.529 40.800 -0.068 0.000 1.361 272 D HN 0.506 nan 8.370 nan 0.000 0.484 273 Y N 1.233 121.509 120.300 -0.040 0.000 2.531 273 Y HA 0.095 4.644 4.550 -0.000 0.000 0.249 273 Y C 2.253 178.122 175.900 -0.051 0.000 1.168 273 Y CA 0.131 58.194 58.100 -0.061 0.000 1.226 273 Y CB 0.383 38.777 38.460 -0.109 0.000 1.177 273 Y HN 0.476 nan 8.280 nan 0.000 0.527 274 S N -0.801 114.937 115.700 0.063 0.000 2.419 274 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 274 S C 1.569 176.184 174.600 0.026 0.000 1.019 274 S CA 1.811 60.036 58.200 0.042 0.000 0.982 274 S CB -0.745 62.470 63.200 0.025 0.000 0.789 274 S HN 0.451 nan 8.310 nan 0.000 0.490 275 T N -1.724 112.837 114.554 0.012 0.000 3.200 275 T HA 0.416 4.766 4.350 -0.000 0.000 0.284 275 T C 0.179 174.880 174.700 0.000 0.000 1.009 275 T CA -0.111 61.990 62.100 0.001 0.000 0.907 275 T CB 0.251 69.111 68.868 -0.013 0.000 1.120 275 T HN 0.262 nan 8.240 nan 0.000 0.534 276 S N 1.976 117.695 115.700 0.030 0.000 2.586 276 S HA 0.324 4.794 4.470 -0.000 0.000 0.274 276 S C 0.772 175.396 174.600 0.039 0.000 1.281 276 S CA -0.410 57.814 58.200 0.040 0.000 1.035 276 S CB 0.761 64.040 63.200 0.133 0.000 0.962 276 S HN 0.491 nan 8.310 nan 0.000 0.512 277 D N 2.383 122.791 120.400 0.014 0.000 2.319 277 D HA 0.197 4.837 4.640 -0.000 0.000 0.230 277 D C 0.618 176.937 176.300 0.032 0.000 1.094 277 D CA -0.148 53.859 54.000 0.012 0.000 0.856 277 D CB -0.591 40.205 40.800 -0.006 0.000 0.915 277 D HN 0.556 nan 8.370 nan 0.000 0.517 278 A N 0.640 123.501 122.820 0.069 0.000 2.565 278 A HA 0.113 4.432 4.320 -0.000 0.000 0.237 278 A C 1.203 178.781 177.584 -0.011 0.000 1.053 278 A CA -0.075 52.001 52.037 0.065 0.000 0.755 278 A CB 0.229 19.296 19.000 0.112 0.000 0.980 278 A HN 0.282 nan 8.150 nan 0.000 0.506 279 R N 0.488 120.990 120.500 0.004 0.000 2.206 279 R HA 0.058 4.397 4.340 -0.000 0.000 0.198 279 R C -0.179 176.078 176.300 -0.072 0.000 0.986 279 R CA 0.697 56.782 56.100 -0.025 0.000 1.029 279 R CB 0.211 30.521 30.300 0.017 0.000 0.966 279 R HN 0.805 nan 8.270 nan 0.000 0.487 280 Q N 0.434 120.196 119.800 -0.063 0.000 2.674 280 Q HA 0.400 4.740 4.340 -0.000 0.000 0.249 280 Q C -1.443 174.335 176.000 -0.370 0.000 1.011 280 Q CA -0.278 55.429 55.803 -0.160 0.000 0.734 280 Q CB 2.186 30.957 28.738 0.055 0.000 1.201 280 Q HN 0.193 nan 8.270 nan 0.000 0.498 281 A N 2.105 124.567 122.820 -0.597 0.000 2.409 281 A HA 0.524 4.844 4.320 -0.000 0.000 0.267 281 A C -0.906 176.169 177.584 -0.849 0.000 1.127 281 A CA 0.005 51.476 52.037 -0.943 0.000 0.795 281 A CB 0.142 18.183 19.000 -1.597 0.000 1.061 281 A HN 0.673 nan 8.150 nan 0.000 0.502 282 H N 0.669 119.462 119.070 -0.461 0.000 2.690 282 H HA 0.536 5.091 4.556 -0.000 0.000 0.368 282 H C 1.269 176.599 175.328 0.003 0.000 1.150 282 H CA 0.320 56.217 56.048 -0.253 0.000 1.174 282 H CB 1.978 31.549 29.762 -0.319 0.000 1.684 282 H HN 0.666 nan 8.280 nan 0.000 0.538 283 G N 0.883 109.753 108.800 0.116 0.000 2.624 283 G HA2 0.166 4.126 3.960 -0.000 0.000 0.216 283 G HA3 0.166 4.126 3.960 -0.000 0.000 0.216 283 G C -0.394 174.566 174.900 0.100 0.000 1.274 283 G CA 0.376 45.556 45.100 0.134 0.000 0.856 283 G HN 0.389 nan 8.290 nan 0.000 0.555 284 V N 0.483 120.415 119.914 0.029 0.000 2.735 284 V HA 0.596 4.716 4.120 -0.000 0.000 0.310 284 V C -0.060 175.974 176.094 -0.099 0.000 1.061 284 V CA -0.387 61.899 62.300 -0.022 0.000 0.913 284 V CB 1.815 33.608 31.823 -0.050 0.000 1.005 284 V HN 0.680 nan 8.190 nan 0.000 0.428 285 T N 0.794 115.280 114.554 -0.113 0.000 2.912 285 T HA 0.834 5.184 4.350 -0.000 0.000 0.288 285 T C -1.013 173.571 174.700 -0.192 0.000 1.030 285 T CA -0.842 61.152 62.100 -0.176 0.000 1.020 285 T CB 1.916 70.702 68.868 -0.137 0.000 1.056 285 T HN 0.777 nan 8.240 nan 0.000 0.480 286 V N 1.308 121.091 119.914 -0.218 0.000 2.777 286 V HA 0.537 4.656 4.120 -0.000 0.000 0.306 286 V C 0.011 176.077 176.094 -0.047 0.000 1.112 286 V CA -0.492 61.730 62.300 -0.130 0.000 0.917 286 V CB 2.002 33.761 31.823 -0.106 0.000 1.018 286 V HN 1.174 nan 8.190 nan 0.000 0.426 287 E N 3.248 123.432 120.200 -0.026 0.000 2.434 287 E HA 0.344 4.694 4.350 -0.000 0.000 0.207 287 E C 0.905 177.525 176.600 0.033 0.000 0.929 287 E CA 0.752 57.157 56.400 0.009 0.000 1.001 287 E CB 0.875 30.562 29.700 -0.023 0.000 1.016 287 E HN 0.888 nan 8.360 nan 0.000 0.502 288 G N 0.306 109.120 108.800 0.024 0.000 2.714 288 G HA2 0.336 4.296 3.960 -0.000 0.000 0.197 288 G HA3 0.336 4.296 3.960 -0.000 0.000 0.197 288 G C -0.367 174.569 174.900 0.060 0.000 1.449 288 G CA 0.095 45.212 45.100 0.029 0.000 1.065 288 G HN 0.208 nan 8.290 nan 0.000 0.575 289 S N -1.773 113.957 115.700 0.049 0.000 2.570 289 S HA 0.477 4.946 4.470 -0.000 0.000 0.286 289 S C -0.564 174.073 174.600 0.061 0.000 1.099 289 S CA -0.021 58.215 58.200 0.061 0.000 0.913 289 S CB 2.153 65.378 63.200 0.041 0.000 1.085 289 S HN 0.677 nan 8.310 nan 0.000 0.480 290 D N 0.632 121.078 120.400 0.078 0.000 2.870 290 D HA -0.124 4.515 4.640 -0.000 0.000 0.228 290 D C -0.700 175.649 176.300 0.082 0.000 1.147 290 D CA 0.816 54.861 54.000 0.075 0.000 0.757 290 D CB -1.347 39.482 40.800 0.047 0.000 1.091 290 D HN 0.650 nan 8.370 nan 0.000 0.429 291 N N 0.078 118.840 118.700 0.104 0.000 2.508 291 N HA 0.388 5.128 4.740 -0.000 0.000 0.285 291 N C 0.054 175.657 175.510 0.155 0.000 1.144 291 N CA -0.275 52.837 53.050 0.103 0.000 0.978 291 N CB 2.141 40.676 38.487 0.080 0.000 1.180 291 N HN -0.139 nan 8.380 nan 0.000 0.484 292 V N 2.503 122.503 119.914 0.144 0.000 2.417 292 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 292 V C 0.065 176.267 176.094 0.181 0.000 1.024 292 V CA -0.585 61.842 62.300 0.211 0.000 0.861 292 V CB 1.192 33.107 31.823 0.152 0.000 0.985 292 V HN 0.492 nan 8.190 nan 0.000 0.436 293 I N 5.028 125.726 120.570 0.212 0.000 2.537 293 I HA 0.368 4.538 4.170 -0.000 0.000 0.276 293 I C -0.035 176.165 176.117 0.137 0.000 1.063 293 I CA -0.004 61.368 61.300 0.121 0.000 1.144 293 I CB 0.799 38.828 38.000 0.048 0.000 1.252 293 I HN 0.564 nan 8.210 nan 0.000 0.480 294 N N 5.743 124.541 118.700 0.164 0.000 2.421 294 N HA 0.294 5.034 4.740 -0.000 0.000 0.285 294 N C -0.596 175.017 175.510 0.172 0.000 1.027 294 N CA -0.301 52.869 53.050 0.199 0.000 0.918 294 N CB 0.947 39.559 38.487 0.209 0.000 1.152 294 N HN 0.633 nan 8.380 nan 0.000 0.485 295 N N 1.162 119.991 118.700 0.216 0.000 2.663 295 N HA -0.155 4.584 4.740 -0.000 0.000 0.263 295 N C -1.306 174.360 175.510 0.259 0.000 1.109 295 N CA -0.178 53.071 53.050 0.330 0.000 0.701 295 N CB -0.530 38.108 38.487 0.251 0.000 0.879 295 N HN 0.159 nan 8.380 nan 0.000 0.550 296 V N 1.849 121.913 119.914 0.251 0.000 2.368 296 V HA 0.299 4.418 4.120 -0.000 0.000 0.266 296 V C 0.230 176.506 176.094 0.303 0.000 1.045 296 V CA -0.414 62.006 62.300 0.199 0.000 0.899 296 V CB 1.134 33.027 31.823 0.117 0.000 1.006 296 V HN 0.272 nan 8.190 nan 0.000 0.470 297 L N 7.173 128.523 121.223 0.211 0.000 2.262 297 L HA 0.678 5.018 4.340 -0.000 0.000 0.288 297 L C -0.491 176.473 176.870 0.156 0.000 1.035 297 L CA -0.149 54.797 54.840 0.176 0.000 0.820 297 L CB 1.107 43.159 42.059 -0.011 0.000 1.204 297 L HN 0.760 nan 8.230 nan 0.000 0.424 298 M N 5.039 124.773 119.600 0.223 0.000 2.393 298 M HA 0.739 5.219 4.480 -0.000 0.000 0.316 298 M C -0.830 175.673 176.300 0.339 0.000 1.087 298 M CA -0.045 55.415 55.300 0.266 0.000 0.937 298 M CB 1.764 34.565 32.600 0.336 0.000 1.668 298 M HN 0.809 nan 8.290 nan 0.000 0.438 299 S N 2.182 118.039 115.700 0.261 0.000 2.705 299 S HA 0.904 5.374 4.470 -0.000 0.000 0.280 299 S C 0.226 174.937 174.600 0.186 0.000 1.174 299 S CA -0.068 58.287 58.200 0.259 0.000 0.823 299 S CB 1.529 64.818 63.200 0.147 0.000 1.162 299 S HN 1.650 nan 8.310 nan 0.000 0.487 300 G N -0.625 108.267 108.800 0.153 0.000 2.132 300 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.234 300 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.234 300 G C 0.042 174.975 174.900 0.055 0.000 0.989 300 G CA -0.112 45.047 45.100 0.099 0.000 0.676 300 G HN 1.190 nan 8.290 nan 0.000 0.522 301 C N 1.796 121.082 119.300 -0.023 0.000 2.258 301 C HA 0.572 5.032 4.460 -0.000 0.000 0.321 301 C C 0.797 175.756 174.990 -0.052 0.000 1.168 301 C CA -0.188 58.720 59.018 -0.183 0.000 1.531 301 C CB 0.608 27.969 27.740 -0.631 0.000 2.095 301 C HN 0.563 nan 8.230 nan 0.000 0.449 302 D N 0.469 120.854 120.400 -0.025 0.000 2.440 302 D HA 0.269 4.908 4.640 -0.000 0.000 0.216 302 D C 1.359 177.653 176.300 -0.010 0.000 1.150 302 D CA 0.556 54.564 54.000 0.014 0.000 0.832 302 D CB 0.094 40.908 40.800 0.023 0.000 0.992 302 D HN 0.804 nan 8.370 nan 0.000 0.502 303 G N -0.797 107.973 108.800 -0.049 0.000 2.238 303 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 303 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 303 G C 0.279 175.148 174.900 -0.052 0.000 0.996 303 G CA 0.172 45.241 45.100 -0.051 0.000 0.632 303 G HN 0.493 nan 8.290 nan 0.000 0.503 304 T N 1.092 115.619 114.554 -0.045 0.000 2.893 304 T HA 0.567 4.917 4.350 -0.000 0.000 0.293 304 T C 0.206 174.885 174.700 -0.035 0.000 1.027 304 T CA -0.080 61.999 62.100 -0.035 0.000 0.988 304 T CB 1.731 70.588 68.868 -0.019 0.000 1.043 304 T HN 0.701 nan 8.240 nan 0.000 0.461 305 N N -0.275 118.407 118.700 -0.030 0.000 2.495 305 N HA 0.234 4.974 4.740 -0.000 0.000 0.294 305 N C 1.475 176.980 175.510 -0.007 0.000 1.276 305 N CA -0.533 52.506 53.050 -0.019 0.000 0.973 305 N CB 0.670 39.147 38.487 -0.018 0.000 1.143 305 N HN 0.474 nan 8.380 nan 0.000 0.589 306 S N -0.591 115.108 115.700 -0.001 0.000 2.474 306 S HA -0.046 4.424 4.470 -0.000 0.000 0.235 306 S C 1.456 176.053 174.600 -0.004 0.000 0.997 306 S CA 0.488 58.687 58.200 -0.002 0.000 0.949 306 S CB -0.546 62.652 63.200 -0.003 0.000 0.766 306 S HN 0.550 nan 8.310 nan 0.000 0.517 307 L N 0.530 121.751 121.223 -0.004 0.000 2.693 307 L HA 0.412 4.752 4.340 -0.000 0.000 0.235 307 L C 1.682 178.550 176.870 -0.003 0.000 1.127 307 L CA 0.241 55.079 54.840 -0.003 0.000 0.914 307 L CB -0.187 41.872 42.059 -0.001 0.000 1.193 307 L HN 0.529 nan 8.230 nan 0.000 0.502 308 G N 0.099 108.895 108.800 -0.005 0.000 2.159 308 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 308 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 308 G C 0.196 175.091 174.900 -0.008 0.000 0.977 308 G CA -0.109 44.987 45.100 -0.006 0.000 0.652 308 G HN 0.443 nan 8.290 nan 0.000 0.531 309 Q N -0.389 119.405 119.800 -0.009 0.000 2.306 309 Q HA 0.492 4.832 4.340 -0.000 0.000 0.241 309 Q C 0.768 176.755 176.000 -0.020 0.000 0.948 309 Q CA -0.724 55.073 55.803 -0.011 0.000 0.886 309 Q CB 1.037 29.771 28.738 -0.007 0.000 1.227 309 Q HN 0.418 nan 8.270 nan 0.000 0.457 310 R N 1.634 122.121 120.500 -0.021 0.000 2.585 310 R HA -0.080 4.260 4.340 -0.000 0.000 0.275 310 R C -0.636 175.633 176.300 -0.052 0.000 1.018 310 R CA 0.512 56.592 56.100 -0.033 0.000 1.072 310 R CB 0.481 30.765 30.300 -0.028 0.000 0.953 310 R HN 0.585 nan 8.270 nan 0.000 0.419 311 Q N 3.474 123.227 119.800 -0.079 0.000 2.309 311 Q HA 0.202 4.542 4.340 -0.000 0.000 0.270 311 Q C -1.068 174.830 176.000 -0.169 0.000 1.023 311 Q CA -0.772 54.955 55.803 -0.127 0.000 0.758 311 Q CB 1.586 30.238 28.738 -0.144 0.000 1.247 311 Q HN 0.829 nan 8.270 nan 0.000 0.455 312 T N 0.338 114.780 114.554 -0.187 0.000 2.882 312 T HA 0.775 5.125 4.350 -0.000 0.000 0.287 312 T C -0.035 174.451 174.700 -0.357 0.000 1.014 312 T CA -0.486 61.485 62.100 -0.215 0.000 1.049 312 T CB 1.526 70.291 68.868 -0.172 0.000 1.001 312 T HN 0.571 nan 8.240 nan 0.000 0.525 313 A N 1.249 123.859 122.820 -0.349 0.000 2.355 313 A HA 0.720 5.040 4.320 -0.000 0.000 0.317 313 A C -0.187 177.186 177.584 -0.351 0.000 1.094 313 A CA -0.861 50.887 52.037 -0.482 0.000 0.764 313 A CB 1.509 20.130 19.000 -0.632 0.000 1.230 313 A HN 0.884 nan 8.150 nan 0.000 0.448 314 T N 3.004 117.301 114.554 -0.427 0.000 3.186 314 T HA 0.232 4.582 4.350 -0.000 0.000 0.320 314 T C 0.783 175.385 174.700 -0.164 0.000 0.955 314 T CA -0.223 61.706 62.100 -0.284 0.000 1.030 314 T CB 0.800 69.409 68.868 -0.431 0.000 1.013 314 T HN 0.595 nan 8.240 nan 0.000 0.454 315 I N 2.011 122.578 120.570 -0.007 0.000 2.546 315 I HA 0.267 4.436 4.170 -0.000 0.000 0.255 315 I C 0.777 176.881 176.117 -0.021 0.000 1.163 315 I CA 0.822 62.152 61.300 0.050 0.000 1.457 315 I CB 0.125 38.208 38.000 0.138 0.000 1.092 315 I HN 0.666 nan 8.210 nan 0.000 0.434 316 A N 1.236 124.006 122.820 -0.084 0.000 2.402 316 A HA 0.573 4.892 4.320 -0.000 0.000 0.291 316 A C -0.544 176.871 177.584 -0.282 0.000 1.051 316 A CA -0.605 51.301 52.037 -0.218 0.000 0.716 316 A CB 0.844 19.722 19.000 -0.203 0.000 1.223 316 A HN 0.260 nan 8.150 nan 0.000 0.425 317 R N 2.421 122.723 120.500 -0.330 0.000 2.387 317 R HA 0.655 4.995 4.340 -0.000 0.000 0.314 317 R C -1.878 174.160 176.300 -0.437 0.000 0.958 317 R CA -0.495 55.477 56.100 -0.214 0.000 0.846 317 R CB 0.685 31.000 30.300 0.025 0.000 1.147 317 R HN 0.523 nan 8.270 nan 0.000 0.447 318 F N 5.991 125.969 119.950 0.046 0.000 2.308 318 F HA 0.403 4.930 4.527 -0.000 0.000 0.370 318 F C 0.196 176.055 175.800 0.098 0.000 1.100 318 F CA -0.583 57.478 58.000 0.102 0.000 1.108 318 F CB 0.943 40.077 39.000 0.223 0.000 1.293 318 F HN 0.262 nan 8.300 nan 0.000 0.478 319 I N 3.019 123.677 120.570 0.145 0.000 2.428 319 I HA 0.448 4.618 4.170 -0.000 0.000 0.289 319 I C 1.156 177.337 176.117 0.106 0.000 1.019 319 I CA 0.088 61.449 61.300 0.101 0.000 1.351 319 I CB 0.709 38.730 38.000 0.035 0.000 1.412 319 I HN 0.824 nan 8.210 nan 0.000 0.513 320 G N 4.758 113.615 108.800 0.095 0.000 2.634 320 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.318 320 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.318 320 G C 0.741 175.690 174.900 0.082 0.000 1.207 320 G CA 0.688 45.832 45.100 0.075 0.000 0.987 320 G HN 0.768 nan 8.290 nan 0.000 0.547 321 T N -0.511 114.083 114.554 0.066 0.000 3.206 321 T HA 0.655 5.004 4.350 -0.000 0.000 0.253 321 T C 1.098 175.843 174.700 0.075 0.000 1.042 321 T CA 1.233 63.369 62.100 0.059 0.000 0.931 321 T CB 0.003 68.893 68.868 0.038 0.000 1.029 321 T HN 2.062 nan 8.240 nan 0.000 0.564 322 A N 3.229 126.117 122.820 0.113 0.000 2.591 322 A HA 0.330 4.650 4.320 -0.000 0.000 0.244 322 A C 0.598 178.266 177.584 0.140 0.000 1.031 322 A CA 0.037 52.166 52.037 0.154 0.000 0.767 322 A CB -0.332 18.823 19.000 0.259 0.000 0.942 322 A HN 0.849 nan 8.150 nan 0.000 0.514 323 N N 1.836 120.603 118.700 0.111 0.000 2.396 323 N HA 0.258 4.998 4.740 -0.000 0.000 0.275 323 N C -0.531 175.019 175.510 0.067 0.000 1.218 323 N CA -0.709 52.378 53.050 0.062 0.000 0.812 323 N CB 1.136 39.639 38.487 0.028 0.000 1.592 323 N HN 0.604 nan 8.380 nan 0.000 0.480 324 N N -0.136 118.587 118.700 0.038 0.000 2.741 324 N HA -0.141 4.599 4.740 -0.000 0.000 0.250 324 N C -0.968 174.609 175.510 0.112 0.000 1.115 324 N CA 0.725 53.807 53.050 0.053 0.000 0.724 324 N CB -1.038 37.470 38.487 0.035 0.000 1.090 324 N HN 0.664 nan 8.380 nan 0.000 0.558 325 N N 0.127 118.921 118.700 0.156 0.000 2.476 325 N HA 0.334 5.074 4.740 -0.000 0.000 0.275 325 N C -0.470 175.216 175.510 0.293 0.000 1.190 325 N CA -0.107 53.091 53.050 0.247 0.000 0.977 325 N CB 1.053 39.761 38.487 0.368 0.000 1.200 325 N HN 0.190 nan 8.380 nan 0.000 0.515 326 Y N -0.257 120.150 120.300 0.178 0.000 2.425 326 Y HA 0.586 5.136 4.550 -0.000 0.000 0.344 326 Y C -1.436 174.541 175.900 0.128 0.000 0.969 326 Y CA -0.810 57.368 58.100 0.131 0.000 1.052 326 Y CB 1.348 39.870 38.460 0.103 0.000 1.215 326 Y HN 0.607 nan 8.280 nan 0.000 0.451 327 A N 3.425 125.831 122.820 -0.690 0.000 2.422 327 A HA 0.677 4.997 4.320 -0.000 0.000 0.302 327 A C -1.328 175.767 177.584 -0.815 0.000 1.041 327 A CA -0.403 51.338 52.037 -0.493 0.000 0.708 327 A CB 1.005 19.961 19.000 -0.073 0.000 1.257 327 A HN 0.964 nan 8.150 nan 0.000 0.414 328 S N 0.915 116.329 115.700 -0.477 0.000 2.478 328 S HA 0.789 5.259 4.470 -0.000 0.000 0.312 328 S C -0.276 174.174 174.600 -0.250 0.000 1.094 328 S CA -0.186 57.797 58.200 -0.360 0.000 1.081 328 S CB 0.884 64.020 63.200 -0.105 0.000 1.007 328 S HN 2.076 nan 8.310 nan 0.000 0.475 329 V N -0.339 119.333 119.914 -0.403 0.000 3.007 329 V HA 0.837 4.957 4.120 -0.000 0.000 0.311 329 V C -1.651 174.137 176.094 -0.510 0.000 1.120 329 V CA -1.258 60.878 62.300 -0.274 0.000 0.980 329 V CB 1.425 33.164 31.823 -0.140 0.000 1.033 329 V HN 0.807 nan 8.190 nan 0.000 0.429 330 F N 3.521 123.473 119.950 0.004 0.000 2.691 330 F HA 0.546 5.073 4.527 -0.000 0.000 0.371 330 F C -2.400 173.385 175.800 -0.026 0.000 1.159 330 F CA -1.924 56.081 58.000 0.008 0.000 1.174 330 F CB 2.354 41.368 39.000 0.025 0.000 1.419 330 F HN 0.361 nan 8.300 nan 0.000 0.514 331 P HA 0.088 nan 4.420 nan 0.000 0.238 331 P C -0.212 176.807 177.300 -0.469 0.000 1.794 331 P CA -0.080 62.805 63.100 -0.357 0.000 1.088 331 P CB 0.490 31.875 31.700 -0.525 0.000 1.923 332 S N 3.049 118.683 115.700 -0.112 0.000 3.983 332 S HA 0.279 4.749 4.470 -0.000 0.000 0.194 332 S C -0.085 174.551 174.600 0.059 0.000 1.464 332 S CA -0.238 57.949 58.200 -0.021 0.000 1.021 332 S CB -1.208 62.023 63.200 0.052 0.000 1.424 332 S HN 0.446 nan 8.310 nan 0.000 0.473 333 Y N -2.460 117.867 120.300 0.045 0.000 2.656 333 Y HA 0.574 5.123 4.550 -0.000 0.000 0.334 333 Y C 0.596 176.505 175.900 0.014 0.000 1.179 333 Y CA -1.198 56.918 58.100 0.026 0.000 1.050 333 Y CB 0.319 38.791 38.460 0.020 0.000 1.308 333 Y HN 0.029 nan 8.280 nan 0.000 0.456 334 S N 0.440 116.300 115.700 0.267 0.000 2.492 334 S HA 0.493 4.963 4.470 -0.000 0.000 0.218 334 S C 0.964 175.669 174.600 0.175 0.000 1.016 334 S CA 0.144 58.431 58.200 0.146 0.000 0.916 334 S CB -0.440 62.811 63.200 0.085 0.000 0.791 334 S HN 1.064 nan 8.310 nan 0.000 0.513 335 A N 1.826 124.800 122.820 0.258 0.000 2.555 335 A HA 0.322 4.642 4.320 -0.000 0.000 0.233 335 A C 1.415 179.112 177.584 0.188 0.000 1.060 335 A CA 0.554 52.680 52.037 0.148 0.000 0.759 335 A CB -0.307 18.690 19.000 -0.005 0.000 0.995 335 A HN 0.377 nan 8.150 nan 0.000 0.506 336 T N 2.159 116.763 114.554 0.083 0.000 2.821 336 T HA 0.022 4.372 4.350 -0.000 0.000 0.267 336 T C 1.280 176.020 174.700 0.066 0.000 1.046 336 T CA 1.339 63.473 62.100 0.057 0.000 1.139 336 T CB -0.420 68.461 68.868 0.022 0.000 0.871 336 T HN 1.041 nan 8.240 nan 0.000 0.454 337 G N 0.296 109.131 108.800 0.058 0.000 2.398 337 G HA2 0.390 4.350 3.960 -0.000 0.000 0.246 337 G HA3 0.390 4.350 3.960 -0.000 0.000 0.246 337 G C 0.417 175.376 174.900 0.099 0.000 1.289 337 G CA -0.474 44.642 45.100 0.027 0.000 0.869 337 G HN 0.220 nan 8.290 nan 0.000 0.543 338 V N 3.080 123.014 119.914 0.033 0.000 3.278 338 V HA 0.312 4.431 4.120 -0.000 0.000 0.215 338 V C 0.696 176.767 176.094 -0.038 0.000 1.287 338 V CA 0.458 62.778 62.300 0.033 0.000 1.302 338 V CB -0.329 31.475 31.823 -0.032 0.000 1.228 338 V HN 0.571 nan 8.190 nan 0.000 0.523 339 I N 0.620 121.132 120.570 -0.096 0.000 2.441 339 I HA 0.489 4.659 4.170 -0.000 0.000 0.295 339 I C -0.624 175.367 176.117 -0.209 0.000 0.994 339 I CA -0.054 61.127 61.300 -0.199 0.000 1.144 339 I CB 2.053 39.840 38.000 -0.356 0.000 1.314 339 I HN 0.098 nan 8.210 nan 0.000 0.445 340 T N 5.844 120.289 114.554 -0.182 0.000 2.833 340 T HA 0.466 4.816 4.350 -0.000 0.000 0.297 340 T C -0.666 174.034 174.700 0.000 0.000 1.015 340 T CA -0.311 61.744 62.100 -0.074 0.000 0.963 340 T CB 0.214 69.089 68.868 0.013 0.000 0.955 340 T HN 0.083 nan 8.240 nan 0.000 0.449 341 F N 2.774 122.838 119.950 0.190 0.000 2.350 341 F HA 0.322 4.848 4.527 -0.000 0.000 0.365 341 F C 1.183 177.059 175.800 0.127 0.000 1.122 341 F CA -1.243 56.862 58.000 0.176 0.000 1.139 341 F CB 0.484 39.519 39.000 0.059 0.000 1.220 341 F HN 0.478 nan 8.300 nan 0.000 0.499 342 E N 0.779 121.164 120.200 0.309 0.000 2.408 342 E HA 0.013 4.362 4.350 -0.000 0.000 0.259 342 E C 1.107 177.805 176.600 0.163 0.000 1.110 342 E CA 0.380 56.897 56.400 0.196 0.000 0.929 342 E CB 0.698 30.493 29.700 0.157 0.000 0.971 342 E HN 0.681 nan 8.360 nan 0.000 0.438 343 S N 1.227 116.994 115.700 0.112 0.000 2.419 343 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 343 S C 1.699 176.333 174.600 0.057 0.000 1.019 343 S CA 0.985 59.232 58.200 0.079 0.000 0.982 343 S CB -0.184 63.053 63.200 0.060 0.000 0.789 343 S HN 0.656 nan 8.310 nan 0.000 0.490 344 G N 1.356 110.193 108.800 0.063 0.000 2.985 344 G HA2 0.259 4.219 3.960 -0.000 0.000 0.209 344 G HA3 0.259 4.219 3.960 -0.000 0.000 0.209 344 G C 0.450 175.375 174.900 0.043 0.000 1.165 344 G CA 0.189 45.315 45.100 0.044 0.000 0.776 344 G HN 0.716 nan 8.290 nan 0.000 0.541 345 S N 0.493 116.233 115.700 0.067 0.000 2.565 345 S HA 0.607 5.076 4.470 -0.000 0.000 0.274 345 S C -0.008 174.569 174.600 -0.038 0.000 1.309 345 S CA 0.133 58.373 58.200 0.067 0.000 1.043 345 S CB 1.553 64.866 63.200 0.189 0.000 0.939 345 S HN 0.466 nan 8.310 nan 0.000 0.504 346 T N -0.849 113.669 114.554 -0.060 0.000 2.894 346 T HA 0.603 4.953 4.350 -0.000 0.000 0.309 346 T C -0.213 174.411 174.700 -0.127 0.000 1.208 346 T CA -1.244 60.786 62.100 -0.116 0.000 1.016 346 T CB 1.124 69.949 68.868 -0.072 0.000 1.192 346 T HN 0.762 nan 8.240 nan 0.000 0.491 347 R N 0.258 120.661 120.500 -0.162 0.000 3.758 347 R HA -0.165 4.175 4.340 -0.000 0.000 0.299 347 R C -0.889 175.348 176.300 -0.105 0.000 1.182 347 R CA 0.755 56.780 56.100 -0.125 0.000 0.809 347 R CB -2.211 28.044 30.300 -0.076 0.000 1.249 347 R HN 0.802 nan 8.270 nan 0.000 0.497 348 N N 0.493 119.067 118.700 -0.210 0.000 2.455 348 N HA 0.333 5.073 4.740 -0.000 0.000 0.280 348 N C -0.934 174.517 175.510 -0.097 0.000 1.055 348 N CA -0.417 52.501 53.050 -0.220 0.000 0.961 348 N CB 0.688 38.801 38.487 -0.623 0.000 1.121 348 N HN 0.054 nan 8.380 nan 0.000 0.476 349 F N 3.138 123.010 119.950 -0.129 0.000 2.449 349 F HA 0.520 5.046 4.527 -0.000 0.000 0.342 349 F C -1.208 174.522 175.800 -0.116 0.000 1.127 349 F CA -1.255 56.695 58.000 -0.083 0.000 0.975 349 F CB 0.732 39.736 39.000 0.007 0.000 1.146 349 F HN 0.135 nan 8.300 nan 0.000 0.444 350 V N 5.985 125.728 119.914 -0.286 0.000 2.417 350 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 350 V C -0.513 175.212 176.094 -0.615 0.000 1.024 350 V CA -0.834 61.206 62.300 -0.434 0.000 0.861 350 V CB 1.604 33.377 31.823 -0.083 0.000 0.985 350 V HN 0.735 nan 8.190 nan 0.000 0.436 351 E N 3.818 123.571 120.200 -0.745 0.000 2.092 351 E HA 0.419 4.769 4.350 -0.000 0.000 0.271 351 E C -1.110 175.285 176.600 -0.343 0.000 0.919 351 E CA -0.521 55.593 56.400 -0.477 0.000 0.760 351 E CB 1.608 31.047 29.700 -0.435 0.000 1.106 351 E HN 0.515 nan 8.360 nan 0.000 0.408 352 V N 7.016 126.792 119.914 -0.231 0.000 2.352 352 V HA 0.048 4.168 4.120 -0.000 0.000 0.253 352 V C 1.097 177.022 176.094 -0.282 0.000 1.083 352 V CA 0.096 62.241 62.300 -0.258 0.000 0.993 352 V CB 0.480 32.202 31.823 -0.169 0.000 1.111 352 V HN 0.741 nan 8.190 nan 0.000 0.490 353 K N 2.129 122.233 120.400 -0.494 0.000 2.155 353 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 353 K C 0.498 177.031 176.600 -0.112 0.000 1.052 353 K CA 0.879 56.938 56.287 -0.380 0.000 0.948 353 K CB 0.175 32.308 32.500 -0.611 0.000 0.728 353 K HN 0.724 nan 8.250 nan 0.000 0.448 354 H N -0.456 118.500 119.070 -0.190 0.000 2.782 354 H HA 0.130 4.686 4.556 -0.000 0.000 0.347 354 H C -2.378 172.933 175.328 -0.028 0.000 1.038 354 H CA -1.865 54.209 56.048 0.044 0.000 1.255 354 H CB 2.103 32.026 29.762 0.267 0.000 1.623 354 H HN -0.215 nan 8.280 nan 0.000 0.525 355 P HA 0.146 nan 4.420 nan 0.000 0.255 355 P C 0.822 178.107 177.300 -0.024 0.000 1.301 355 P CA 1.106 64.125 63.100 -0.134 0.000 0.817 355 P CB 0.218 31.801 31.700 -0.194 0.000 1.259 356 G N 2.479 111.423 108.800 0.239 0.000 2.583 356 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.292 356 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.292 356 G C 0.877 175.847 174.900 0.117 0.000 1.203 356 G CA -0.031 45.166 45.100 0.162 0.000 0.987 356 G HN 0.232 nan 8.290 nan 0.000 0.554 357 R N 1.329 121.848 120.500 0.032 0.000 2.317 357 R HA 0.154 4.493 4.340 -0.000 0.000 0.208 357 R C 1.291 177.585 176.300 -0.011 0.000 0.914 357 R CA 0.230 56.343 56.100 0.022 0.000 1.060 357 R CB -0.141 30.169 30.300 0.017 0.000 1.015 357 R HN 0.545 nan 8.270 nan 0.000 0.498 358 R N 1.217 121.695 120.500 -0.037 0.000 2.543 358 R HA 0.131 4.471 4.340 -0.000 0.000 0.277 358 R C 0.693 176.958 176.300 -0.060 0.000 1.074 358 R CA -0.072 55.998 56.100 -0.050 0.000 1.076 358 R CB 0.444 30.704 30.300 -0.067 0.000 0.993 358 R HN -0.020 nan 8.270 nan 0.000 0.459 359 N N 0.632 119.302 118.700 -0.049 0.000 2.220 359 N HA 0.010 4.750 4.740 -0.000 0.000 0.195 359 N C -0.915 174.561 175.510 -0.056 0.000 1.123 359 N CA 0.442 53.460 53.050 -0.054 0.000 0.874 359 N CB 0.542 39.006 38.487 -0.038 0.000 0.995 359 N HN 0.515 nan 8.380 nan 0.000 0.498 360 D N 0.033 120.403 120.400 -0.051 0.000 2.688 360 D HA 0.133 4.773 4.640 -0.000 0.000 0.210 360 D C 0.239 176.518 176.300 -0.036 0.000 1.333 360 D CA -0.349 53.625 54.000 -0.044 0.000 0.920 360 D CB 0.882 41.664 40.800 -0.030 0.000 1.554 360 D HN -0.181 nan 8.370 nan 0.000 0.579 361 L N 3.030 124.232 121.223 -0.036 0.000 2.610 361 L HA 0.143 4.483 4.340 -0.000 0.000 0.232 361 L C 1.586 178.457 176.870 0.002 0.000 1.149 361 L CA 0.485 55.312 54.840 -0.023 0.000 0.872 361 L CB 0.061 42.107 42.059 -0.022 0.000 0.992 361 L HN 0.420 nan 8.230 nan 0.000 0.447 362 L N -1.539 119.687 121.223 0.006 0.000 2.766 362 L HA 0.071 4.411 4.340 -0.000 0.000 0.242 362 L C 2.403 179.283 176.870 0.015 0.000 1.136 362 L CA 0.144 54.996 54.840 0.021 0.000 0.933 362 L CB 0.178 42.256 42.059 0.031 0.000 1.241 362 L HN 0.208 nan 8.230 nan 0.000 0.522 363 S N -1.302 114.400 115.700 0.004 0.000 2.382 363 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 363 S C 1.209 175.814 174.600 0.007 0.000 1.027 363 S CA 0.563 58.765 58.200 0.003 0.000 0.991 363 S CB -0.178 63.020 63.200 -0.005 0.000 0.823 363 S HN 0.269 nan 8.310 nan 0.000 0.469 364 S N 0.302 116.006 115.700 0.007 0.000 2.462 364 S HA 0.690 5.160 4.470 -0.000 0.000 0.294 364 S C 0.911 175.522 174.600 0.017 0.000 1.144 364 S CA -0.301 57.906 58.200 0.011 0.000 1.088 364 S CB 1.251 64.456 63.200 0.008 0.000 1.009 364 S HN 0.499 nan 8.310 nan 0.000 0.484 365 A N 3.952 126.785 122.820 0.021 0.000 2.121 365 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 365 A C 1.926 179.527 177.584 0.028 0.000 1.154 365 A CA 1.470 53.524 52.037 0.029 0.000 0.679 365 A CB -0.493 18.525 19.000 0.029 0.000 0.795 365 A HN 0.756 nan 8.150 nan 0.000 0.458 366 S N -0.946 114.766 115.700 0.020 0.000 2.548 366 S HA -0.012 4.458 4.470 -0.000 0.000 0.215 366 S C 1.700 176.306 174.600 0.010 0.000 0.976 366 S CA 0.817 59.026 58.200 0.015 0.000 0.908 366 S CB -0.071 63.135 63.200 0.009 0.000 0.781 366 S HN 0.669 nan 8.310 nan 0.000 0.519 367 T N 2.217 116.778 114.554 0.011 0.000 2.708 367 T HA 0.087 4.437 4.350 -0.000 0.000 0.266 367 T C 0.649 175.347 174.700 -0.004 0.000 1.037 367 T CA 0.936 63.038 62.100 0.003 0.000 1.146 367 T CB -0.126 68.741 68.868 -0.002 0.000 0.865 367 T HN 0.314 nan 8.240 nan 0.000 0.435 368 I N 2.021 122.601 120.570 0.016 0.000 2.405 368 I HA 0.275 4.445 4.170 -0.000 0.000 0.280 368 I C -0.829 175.320 176.117 0.053 0.000 1.027 368 I CA -0.848 60.466 61.300 0.023 0.000 1.161 368 I CB 1.302 39.356 38.000 0.089 0.000 1.300 368 I HN -0.019 nan 8.210 nan 0.000 0.463 369 D N 5.184 125.600 120.400 0.027 0.000 2.264 369 D HA 0.388 5.028 4.640 -0.000 0.000 0.250 369 D C 0.916 177.291 176.300 0.125 0.000 1.113 369 D CA 0.515 54.550 54.000 0.059 0.000 0.871 369 D CB 1.487 42.306 40.800 0.032 0.000 1.167 369 D HN 0.821 nan 8.370 nan 0.000 0.447 370 G N 2.721 111.610 108.800 0.148 0.000 2.140 370 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.211 370 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.211 370 G C 1.012 176.050 174.900 0.230 0.000 1.013 370 G CA 0.504 45.727 45.100 0.205 0.000 0.705 370 G HN 0.763 nan 8.290 nan 0.000 0.508 371 A N -0.106 122.820 122.820 0.177 0.000 2.076 371 A HA 0.354 4.674 4.320 -0.000 0.000 0.220 371 A C 2.723 180.361 177.584 0.088 0.000 1.160 371 A CA 2.297 54.426 52.037 0.154 0.000 0.653 371 A CB -0.526 18.546 19.000 0.119 0.000 0.801 371 A HN 1.905 nan 8.150 nan 0.000 0.455 372 A N -0.154 122.708 122.820 0.070 0.000 2.070 372 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 372 A C 2.252 179.839 177.584 0.005 0.000 1.159 372 A CA 2.090 54.150 52.037 0.037 0.000 0.656 372 A CB -1.182 17.840 19.000 0.037 0.000 0.800 372 A HN 0.798 nan 8.150 nan 0.000 0.453 373 T N -2.113 112.436 114.554 -0.008 0.000 3.085 373 T HA 0.187 4.537 4.350 -0.000 0.000 0.263 373 T C 0.651 175.252 174.700 -0.165 0.000 1.127 373 T CA 0.285 62.331 62.100 -0.091 0.000 1.103 373 T CB -0.564 68.222 68.868 -0.136 0.000 0.921 373 T HN 0.330 nan 8.240 nan 0.000 0.510 374 I N 3.636 124.138 120.570 -0.114 0.000 2.243 374 I HA 0.222 4.392 4.170 -0.000 0.000 0.297 374 I C 0.384 176.475 176.117 -0.042 0.000 1.161 374 I CA -0.465 60.777 61.300 -0.097 0.000 1.298 374 I CB 0.439 38.428 38.000 -0.019 0.000 1.475 374 I HN 0.248 nan 8.210 nan 0.000 0.561 375 D N 3.162 123.525 120.400 -0.063 0.000 2.469 375 D HA 0.116 4.755 4.640 -0.000 0.000 0.213 375 D C 1.308 177.582 176.300 -0.043 0.000 1.135 375 D CA 0.174 54.151 54.000 -0.039 0.000 0.834 375 D CB 0.658 41.432 40.800 -0.042 0.000 1.009 375 D HN 0.558 nan 8.370 nan 0.000 0.507 376 G N 0.571 109.335 108.800 -0.060 0.000 2.189 376 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.267 376 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.267 376 G C 0.605 175.447 174.900 -0.096 0.000 0.975 376 G CA 1.035 46.089 45.100 -0.076 0.000 0.644 376 G HN 0.838 nan 8.290 nan 0.000 0.537 377 T N -2.162 112.339 114.554 -0.089 0.000 2.849 377 T HA 0.618 4.968 4.350 -0.000 0.000 0.276 377 T C 1.918 176.555 174.700 -0.105 0.000 0.971 377 T CA 0.908 62.955 62.100 -0.088 0.000 0.949 377 T CB 1.222 70.048 68.868 -0.070 0.000 1.093 377 T HN 1.119 nan 8.240 nan 0.000 0.545 378 S N -0.182 115.461 115.700 -0.095 0.000 2.500 378 S HA -0.109 4.361 4.470 -0.000 0.000 0.239 378 S C 1.204 175.746 174.600 -0.097 0.000 0.989 378 S CA 0.984 59.125 58.200 -0.099 0.000 0.951 378 S CB -0.958 62.192 63.200 -0.083 0.000 0.759 378 S HN 0.789 nan 8.310 nan 0.000 0.523 379 N N 0.897 119.542 118.700 -0.092 0.000 2.280 379 N HA 0.205 4.944 4.740 -0.000 0.000 0.192 379 N C -0.049 175.385 175.510 -0.126 0.000 1.109 379 N CA -0.089 52.904 53.050 -0.094 0.000 0.855 379 N CB 0.362 38.805 38.487 -0.073 0.000 0.974 379 N HN 0.203 nan 8.380 nan 0.000 0.482 380 S N 1.143 116.761 115.700 -0.138 0.000 2.558 380 S HA 0.038 4.508 4.470 -0.000 0.000 0.288 380 S C 0.192 174.650 174.600 -0.238 0.000 1.318 380 S CA -0.398 57.700 58.200 -0.170 0.000 1.056 380 S CB 0.184 63.296 63.200 -0.146 0.000 0.853 380 S HN 0.193 nan 8.310 nan 0.000 0.505 381 N N 1.804 120.284 118.700 -0.367 0.000 2.424 381 N HA 0.441 5.181 4.740 -0.000 0.000 0.257 381 N C -0.876 174.438 175.510 -0.326 0.000 1.250 381 N CA -0.239 52.471 53.050 -0.566 0.000 0.946 381 N CB 1.076 38.728 38.487 -1.391 0.000 1.175 381 N HN 0.355 nan 8.380 nan 0.000 0.477 382 V N 0.576 120.392 119.914 -0.164 0.000 2.851 382 V HA 0.390 4.510 4.120 -0.000 0.000 0.307 382 V C -0.673 175.608 176.094 0.313 0.000 1.129 382 V CA -0.780 61.582 62.300 0.103 0.000 0.932 382 V CB 2.363 34.229 31.823 0.072 0.000 1.024 382 V HN 0.287 nan 8.190 nan 0.000 0.426 383 V N 3.477 123.611 119.914 0.366 0.000 2.531 383 V HA 0.536 4.655 4.120 -0.000 0.000 0.301 383 V C -0.709 175.677 176.094 0.487 0.000 1.034 383 V CA -0.558 61.949 62.300 0.346 0.000 0.865 383 V CB 1.823 33.803 31.823 0.263 0.000 0.995 383 V HN 0.914 nan 8.190 nan 0.000 0.424 384 H N 2.540 121.745 119.070 0.225 0.000 2.492 384 H HA 0.752 5.308 4.556 -0.000 0.000 0.345 384 H C -0.186 175.106 175.328 -0.059 0.000 1.136 384 H CA -0.760 55.371 56.048 0.139 0.000 1.202 384 H CB 2.296 32.276 29.762 0.364 0.000 1.524 384 H HN 0.753 nan 8.280 nan 0.000 0.506 385 A N 4.178 126.935 122.820 -0.104 0.000 2.893 385 A HA 0.270 4.590 4.320 -0.000 0.000 0.333 385 A C -2.259 175.180 177.584 -0.242 0.000 1.152 385 A CA -1.372 50.573 52.037 -0.154 0.000 0.782 385 A CB 0.427 19.336 19.000 -0.152 0.000 1.108 385 A HN 0.479 nan 8.150 nan 0.000 0.469 386 P HA -0.174 nan 4.420 nan 0.000 0.218 386 P C 1.699 178.947 177.300 -0.086 0.000 1.148 386 P CA 1.922 64.959 63.100 -0.105 0.000 0.822 386 P CB 0.306 32.063 31.700 0.095 0.000 0.784 387 A N -0.709 122.051 122.820 -0.099 0.000 2.019 387 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 387 A C 1.961 179.475 177.584 -0.117 0.000 1.164 387 A CA 1.192 53.168 52.037 -0.102 0.000 0.644 387 A CB -1.394 17.497 19.000 -0.180 0.000 0.805 387 A HN 0.178 nan 8.150 nan 0.000 0.449 388 L N -1.272 119.860 121.223 -0.153 0.000 2.607 388 L HA 0.225 4.565 4.340 -0.000 0.000 0.228 388 L C 1.527 178.308 176.870 -0.147 0.000 1.123 388 L CA 0.361 55.117 54.840 -0.140 0.000 0.890 388 L CB -0.290 41.679 42.059 -0.149 0.000 1.103 388 L HN 0.512 nan 8.230 nan 0.000 0.468 389 G N 1.191 109.886 108.800 -0.176 0.000 2.249 389 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.273 389 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.273 389 G C 0.111 174.807 174.900 -0.340 0.000 1.036 389 G CA 0.398 45.403 45.100 -0.158 0.000 0.824 389 G HN 0.499 nan 8.290 nan 0.000 0.504 390 Q N -0.491 118.956 119.800 -0.589 0.000 2.333 390 Q HA 0.652 4.992 4.340 -0.000 0.000 0.265 390 Q C -1.143 174.423 176.000 -0.724 0.000 0.989 390 Q CA -1.001 54.526 55.803 -0.460 0.000 0.842 390 Q CB 0.784 29.384 28.738 -0.230 0.000 1.262 390 Q HN 0.335 nan 8.270 nan 0.000 0.451 391 Y N 4.376 124.619 120.300 -0.095 0.000 2.326 391 Y HA 0.456 5.005 4.550 -0.000 0.000 0.329 391 Y C -0.512 175.446 175.900 0.097 0.000 0.973 391 Y CA -0.729 57.287 58.100 -0.140 0.000 1.162 391 Y CB 1.210 39.420 38.460 -0.417 0.000 1.147 391 Y HN 0.494 nan 8.280 nan 0.000 0.456 392 I N 3.782 124.566 120.570 0.356 0.000 2.428 392 I HA 0.686 4.856 4.170 -0.000 0.000 0.279 392 I C 0.330 176.648 176.117 0.336 0.000 1.040 392 I CA -0.504 60.975 61.300 0.299 0.000 1.171 392 I CB 1.077 39.201 38.000 0.208 0.000 1.312 392 I HN 0.800 nan 8.210 nan 0.000 0.470 393 G N 3.752 112.751 108.800 0.331 0.000 2.675 393 G HA2 0.007 3.967 3.960 -0.000 0.000 0.686 393 G HA3 0.007 3.967 3.960 -0.000 0.000 0.686 393 G C -0.845 174.130 174.900 0.125 0.000 1.215 393 G CA -0.387 44.829 45.100 0.194 0.000 0.777 393 G HN 0.696 nan 8.290 nan 0.000 0.638 394 S N 0.901 116.533 115.700 -0.114 0.000 2.572 394 S HA 0.601 5.071 4.470 -0.000 0.000 0.274 394 S C 1.140 175.567 174.600 -0.288 0.000 1.150 394 S CA 0.044 58.026 58.200 -0.362 0.000 0.944 394 S CB 1.368 64.077 63.200 -0.818 0.000 1.071 394 S HN 0.743 nan 8.310 nan 0.000 0.479 395 M N 3.051 122.480 119.600 -0.286 0.000 2.619 395 M HA 0.019 4.499 4.480 -0.000 0.000 0.251 395 M C 1.776 177.943 176.300 -0.222 0.000 1.106 395 M CA 0.807 55.972 55.300 -0.226 0.000 1.086 395 M CB -0.214 32.259 32.600 -0.212 0.000 1.465 395 M HN 0.760 nan 8.290 nan 0.000 0.506 396 S N -1.038 114.494 115.700 -0.280 0.000 2.535 396 S HA 0.269 4.739 4.470 -0.000 0.000 0.214 396 S C 1.561 176.017 174.600 -0.240 0.000 0.980 396 S CA 0.367 58.417 58.200 -0.251 0.000 0.907 396 S CB 0.072 63.099 63.200 -0.288 0.000 0.790 396 S HN 0.618 nan 8.310 nan 0.000 0.510 397 G N 1.995 110.640 108.800 -0.259 0.000 2.162 397 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 397 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 397 G C 0.021 174.754 174.900 -0.278 0.000 0.976 397 G CA 0.361 45.328 45.100 -0.221 0.000 0.655 397 G HN 1.018 nan 8.290 nan 0.000 0.533 398 R N -2.089 118.165 120.500 -0.410 0.000 2.733 398 R HA 0.760 5.100 4.340 -0.000 0.000 0.272 398 R C -1.545 174.322 176.300 -0.722 0.000 1.029 398 R CA -1.218 54.601 56.100 -0.467 0.000 0.888 398 R CB 0.667 30.781 30.300 -0.311 0.000 1.251 398 R HN 0.156 nan 8.270 nan 0.000 0.464 399 F N 0.631 120.286 119.950 -0.491 0.000 2.482 399 F HA 0.401 4.928 4.527 -0.000 0.000 0.331 399 F C -0.387 175.119 175.800 -0.490 0.000 1.115 399 F CA -0.386 57.303 58.000 -0.518 0.000 0.955 399 F CB 2.227 40.986 39.000 -0.402 0.000 1.136 399 F HN 0.640 nan 8.300 nan 0.000 0.452 400 E N 3.011 122.900 120.200 -0.518 0.000 2.308 400 E HA 0.397 4.747 4.350 -0.000 0.000 0.275 400 E C -2.080 174.282 176.600 -0.397 0.000 0.890 400 E CA -0.905 55.333 56.400 -0.269 0.000 0.754 400 E CB 1.873 31.486 29.700 -0.144 0.000 1.207 400 E HN 0.493 nan 8.360 nan 0.000 0.426 401 W N 3.099 124.423 121.300 0.040 0.000 2.702 401 W HA 0.470 5.129 4.660 -0.000 0.000 0.331 401 W C -0.083 176.447 176.519 0.017 0.000 1.049 401 W CA -0.859 56.502 57.345 0.027 0.000 1.230 401 W CB 2.278 31.755 29.460 0.029 0.000 1.408 401 W HN 0.697 nan 8.180 nan 0.000 0.492 402 R N 1.521 122.145 120.500 0.207 0.000 2.673 402 R HA 0.427 4.767 4.340 -0.000 0.000 0.281 402 R C 0.135 176.504 176.300 0.114 0.000 0.991 402 R CA -0.816 55.366 56.100 0.136 0.000 0.896 402 R CB 1.372 31.717 30.300 0.075 0.000 1.201 402 R HN 0.247 nan 8.270 nan 0.000 0.457 403 I N 1.074 121.697 120.570 0.089 0.000 2.546 403 I HA -0.108 4.062 4.170 -0.000 0.000 0.255 403 I C 0.670 176.817 176.117 0.050 0.000 1.163 403 I CA 1.330 62.670 61.300 0.067 0.000 1.457 403 I CB -1.310 36.719 38.000 0.047 0.000 1.092 403 I HN 0.764 nan 8.210 nan 0.000 0.434 404 K N -1.077 119.349 120.400 0.043 0.000 2.579 404 K HA 0.381 4.701 4.320 -0.000 0.000 0.284 404 K C -0.652 175.963 176.600 0.025 0.000 0.990 404 K CA -0.677 55.628 56.287 0.031 0.000 0.880 404 K CB 1.288 33.803 32.500 0.025 0.000 1.488 404 K HN -0.282 nan 8.250 nan 0.000 0.425 405 S N 1.439 117.150 115.700 0.017 0.000 2.549 405 S HA 0.251 4.721 4.470 -0.000 0.000 0.286 405 S C 0.021 174.628 174.600 0.011 0.000 1.314 405 S CA -0.041 58.165 58.200 0.011 0.000 1.062 405 S CB -0.376 62.828 63.200 0.006 0.000 0.865 405 S HN 0.574 nan 8.310 nan 0.000 0.498 406 M N 0.379 119.984 119.600 0.009 0.000 2.732 406 M HA 0.546 5.026 4.480 -0.000 0.000 0.272 406 M C -0.896 175.408 176.300 0.006 0.000 1.203 406 M CA -0.996 54.310 55.300 0.010 0.000 0.841 406 M CB 1.752 34.362 32.600 0.016 0.000 1.685 406 M HN 0.452 nan 8.290 nan 0.000 0.492 407 S N 1.028 116.731 115.700 0.005 0.000 2.654 407 S HA 0.877 5.346 4.470 -0.000 0.000 0.283 407 S C -0.654 173.949 174.600 0.006 0.000 1.180 407 S CA -0.836 57.366 58.200 0.003 0.000 1.021 407 S CB 1.482 64.682 63.200 0.001 0.000 1.018 407 S HN 0.693 nan 8.310 nan 0.000 0.532 408 L N 1.566 122.791 121.223 0.003 0.000 2.322 408 L HA 0.587 4.926 4.340 -0.000 0.000 0.269 408 L C -1.966 174.906 176.870 0.004 0.000 1.012 408 L CA -2.260 52.583 54.840 0.006 0.000 0.815 408 L CB 1.346 43.408 42.059 0.005 0.000 1.295 408 L HN 0.604 nan 8.230 nan 0.000 0.438 409 P HA 0.076 nan 4.420 nan 0.000 0.276 409 P C -0.552 176.749 177.300 0.003 0.000 1.230 409 P CA -0.266 62.837 63.100 0.005 0.000 0.776 409 P CB 1.337 33.041 31.700 0.007 0.000 0.888 410 S N 1.359 117.059 115.700 0.001 0.000 2.562 410 S HA 0.385 4.855 4.470 -0.000 0.000 0.281 410 S C 1.272 175.872 174.600 -0.000 0.000 1.333 410 S CA 0.709 58.908 58.200 -0.001 0.000 1.052 410 S CB -0.749 62.450 63.200 -0.002 0.000 0.884 410 S HN 0.932 nan 8.310 nan 0.000 0.506 411 G N 2.855 111.653 108.800 -0.002 0.000 2.273 411 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.280 411 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.280 411 G C 0.373 175.274 174.900 0.002 0.000 1.047 411 G CA 0.358 45.458 45.100 -0.001 0.000 0.869 411 G HN 0.754 nan 8.290 nan 0.000 0.502 412 V N -0.962 118.954 119.914 0.003 0.000 2.870 412 V HA 0.361 4.481 4.120 -0.000 0.000 0.232 412 V C 1.419 177.518 176.094 0.008 0.000 1.161 412 V CA 0.512 62.817 62.300 0.008 0.000 1.204 412 V CB -0.250 31.579 31.823 0.011 0.000 1.003 412 V HN 0.251 nan 8.190 nan 0.000 0.499 413 L N 1.915 123.142 121.223 0.007 0.000 2.397 413 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 413 L C 0.471 177.340 176.870 -0.002 0.000 1.148 413 L CA 0.986 55.830 54.840 0.007 0.000 0.825 413 L CB 0.624 42.687 42.059 0.007 0.000 1.117 413 L HN 0.634 nan 8.230 nan 0.000 0.456 414 T N -2.344 112.209 114.554 -0.002 0.000 2.742 414 T HA 0.348 4.697 4.350 -0.000 0.000 0.282 414 T C 1.038 175.727 174.700 -0.018 0.000 1.025 414 T CA 0.072 62.166 62.100 -0.010 0.000 1.020 414 T CB 0.972 69.838 68.868 -0.005 0.000 1.317 414 T HN 0.483 nan 8.240 nan 0.000 0.538 415 S N -0.019 115.666 115.700 -0.025 0.000 2.469 415 S HA -0.024 4.445 4.470 -0.000 0.000 0.238 415 S C 2.220 176.803 174.600 -0.028 0.000 0.998 415 S CA 0.780 58.959 58.200 -0.036 0.000 0.957 415 S CB -1.130 62.048 63.200 -0.037 0.000 0.764 415 S HN 1.081 nan 8.310 nan 0.000 0.514 416 A N 1.786 124.600 122.820 -0.010 0.000 2.014 416 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 416 A C 1.052 178.649 177.584 0.022 0.000 1.163 416 A CA 0.820 52.861 52.037 0.006 0.000 0.652 416 A CB -0.378 18.629 19.000 0.012 0.000 0.808 416 A HN 0.535 nan 8.150 nan 0.000 0.449 417 D N 0.351 120.760 120.400 0.014 0.000 2.551 417 D HA 0.157 4.796 4.640 -0.000 0.000 0.223 417 D C 0.370 176.669 176.300 -0.002 0.000 1.144 417 D CA 0.136 54.157 54.000 0.035 0.000 1.025 417 D CB 0.584 41.404 40.800 0.034 0.000 1.085 417 D HN 0.379 nan 8.370 nan 0.000 0.506 418 K N 0.513 120.907 120.400 -0.011 0.000 2.418 418 K HA -0.003 4.317 4.320 -0.000 0.000 0.195 418 K C -0.229 176.079 176.600 -0.486 0.000 1.035 418 K CA 0.558 56.717 56.287 -0.213 0.000 1.003 418 K CB 0.415 32.804 32.500 -0.185 0.000 0.793 418 K HN 0.297 nan 8.250 nan 0.000 0.494 419 Y N 0.360 120.747 120.300 0.145 0.000 2.346 419 Y HA 0.382 4.931 4.550 -0.000 0.000 0.332 419 Y C -0.660 175.364 175.900 0.206 0.000 0.985 419 Y CA -1.057 57.185 58.100 0.238 0.000 1.112 419 Y CB 1.689 40.291 38.460 0.237 0.000 1.170 419 Y HN -0.279 nan 8.280 nan 0.000 0.447 420 R N 3.732 124.451 120.500 0.364 0.000 2.502 420 R HA 0.658 4.997 4.340 -0.000 0.000 0.300 420 R C -1.299 175.226 176.300 0.375 0.000 0.984 420 R CA -0.713 55.547 56.100 0.266 0.000 0.882 420 R CB 2.033 32.415 30.300 0.137 0.000 1.180 420 R HN 0.660 nan 8.270 nan 0.000 0.444 421 M N 5.053 124.807 119.600 0.256 0.000 2.018 421 M HA 0.400 4.880 4.480 -0.000 0.000 0.311 421 M C -1.159 175.219 176.300 0.131 0.000 0.928 421 M CA -0.357 55.068 55.300 0.209 0.000 0.911 421 M CB 1.210 33.853 32.600 0.072 0.000 1.447 421 M HN 0.320 nan 8.290 nan 0.000 0.407 422 L N 1.886 123.194 121.223 0.142 0.000 2.342 422 L HA 1.065 5.404 4.340 -0.000 0.000 0.271 422 L C 0.327 177.240 176.870 0.072 0.000 1.008 422 L CA -0.771 54.124 54.840 0.093 0.000 0.818 422 L CB 2.174 44.285 42.059 0.087 0.000 1.296 422 L HN 0.769 nan 8.230 nan 0.000 0.427 423 G N 0.232 109.061 108.800 0.049 0.000 2.506 423 G HA2 0.374 4.334 3.960 -0.000 0.000 0.292 423 G HA3 0.374 4.334 3.960 -0.000 0.000 0.292 423 G C -2.129 172.788 174.900 0.028 0.000 1.425 423 G CA -0.399 44.724 45.100 0.038 0.000 0.788 423 G HN 0.385 nan 8.290 nan 0.000 0.490 424 D N -1.186 119.228 120.400 0.022 0.000 2.478 424 D HA 0.678 5.318 4.640 -0.000 0.000 0.263 424 D C 1.283 177.592 176.300 0.014 0.000 1.153 424 D CA 1.161 55.171 54.000 0.017 0.000 1.038 424 D CB 1.330 42.139 40.800 0.014 0.000 1.120 424 D HN 1.244 nan 8.370 nan 0.000 0.564 425 G N 0.008 108.815 108.800 0.011 0.000 2.582 425 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.288 425 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.288 425 G C -0.039 174.866 174.900 0.008 0.000 1.247 425 G CA 0.227 45.332 45.100 0.008 0.000 0.972 425 G HN 0.844 nan 8.290 nan 0.000 0.557 426 A N -0.851 121.973 122.820 0.006 0.000 2.362 426 A HA 0.615 4.935 4.320 -0.000 0.000 0.276 426 A C 0.033 177.620 177.584 0.005 0.000 1.153 426 A CA 0.421 52.460 52.037 0.004 0.000 0.813 426 A CB 0.957 19.958 19.000 0.002 0.000 1.081 426 A HN 1.738 nan 8.150 nan 0.000 0.507 427 V N 2.712 122.629 119.914 0.005 0.000 2.443 427 V HA 0.524 4.644 4.120 -0.000 0.000 0.293 427 V C 0.117 176.211 176.094 -0.001 0.000 1.021 427 V CA -0.341 61.962 62.300 0.005 0.000 0.848 427 V CB 1.448 33.279 31.823 0.013 0.000 0.998 427 V HN 0.902 nan 8.190 nan 0.000 0.424 428 S N 4.906 120.600 115.700 -0.009 0.000 2.519 428 S HA 0.707 5.177 4.470 -0.000 0.000 0.309 428 S C -0.996 173.587 174.600 -0.028 0.000 1.100 428 S CA -0.544 57.647 58.200 -0.016 0.000 1.059 428 S CB 1.331 64.521 63.200 -0.016 0.000 1.008 428 S HN 0.670 nan 8.310 nan 0.000 0.478 429 L N 5.839 127.042 121.223 -0.033 0.000 2.255 429 L HA 0.795 5.135 4.340 -0.000 0.000 0.289 429 L C -0.096 176.744 176.870 -0.050 0.000 1.046 429 L CA -0.156 54.653 54.840 -0.053 0.000 0.816 429 L CB 0.451 42.477 42.059 -0.055 0.000 1.197 429 L HN 0.700 nan 8.230 nan 0.000 0.427 430 A N 5.345 128.131 122.820 -0.056 0.000 2.274 430 A HA 0.734 5.054 4.320 -0.000 0.000 0.309 430 A C -0.873 176.677 177.584 -0.058 0.000 1.226 430 A CA -0.487 51.521 52.037 -0.049 0.000 0.853 430 A CB 0.870 19.844 19.000 -0.043 0.000 1.146 430 A HN 0.566 nan 8.150 nan 0.000 0.518 431 V N 2.603 122.486 119.914 -0.051 0.000 2.483 431 V HA 0.823 4.943 4.120 -0.000 0.000 0.297 431 V C 0.699 176.765 176.094 -0.046 0.000 1.027 431 V CA 0.702 62.969 62.300 -0.054 0.000 0.855 431 V CB 0.745 32.536 31.823 -0.054 0.000 0.995 431 V HN 1.874 nan 8.190 nan 0.000 0.424 432 G N 3.169 111.942 108.800 -0.046 0.000 2.240 432 G HA2 0.507 4.467 3.960 -0.000 0.000 0.199 432 G HA3 0.507 4.467 3.960 -0.000 0.000 0.199 432 G C 0.501 175.379 174.900 -0.037 0.000 1.342 432 G CA 0.190 45.266 45.100 -0.041 0.000 1.145 432 G HN 1.898 nan 8.290 nan 0.000 0.477 433 G N -1.387 107.393 108.800 -0.033 0.000 2.192 433 G HA2 0.366 4.326 3.960 -0.000 0.000 0.193 433 G HA3 0.366 4.326 3.960 -0.000 0.000 0.193 433 G C 1.293 176.177 174.900 -0.027 0.000 0.999 433 G CA 1.149 46.232 45.100 -0.028 0.000 0.659 433 G HN 2.162 nan 8.290 nan 0.000 0.503 434 G N -0.625 108.157 108.800 -0.029 0.000 3.341 434 G HA2 0.599 4.559 3.960 -0.000 0.000 0.177 434 G HA3 0.599 4.559 3.960 -0.000 0.000 0.177 434 G C 1.203 176.086 174.900 -0.029 0.000 1.236 434 G CA 1.273 46.356 45.100 -0.028 0.000 0.888 434 G HN 1.026 nan 8.290 nan 0.000 0.644 435 T N -2.375 112.160 114.554 -0.031 0.000 2.990 435 T HA 0.337 4.687 4.350 -0.000 0.000 0.249 435 T C 0.821 175.499 174.700 -0.037 0.000 1.039 435 T CA 0.947 63.028 62.100 -0.032 0.000 1.036 435 T CB -0.019 68.831 68.868 -0.029 0.000 0.994 435 T HN 1.086 nan 8.240 nan 0.000 0.489 436 S N 0.125 115.801 115.700 -0.040 0.000 2.541 436 S HA 0.753 5.223 4.470 -0.000 0.000 0.271 436 S C -1.309 173.264 174.600 -0.046 0.000 1.133 436 S CA -0.715 57.457 58.200 -0.047 0.000 0.876 436 S CB 2.224 65.392 63.200 -0.053 0.000 1.105 436 S HN 0.177 nan 8.310 nan 0.000 0.470 437 S N 1.512 117.183 115.700 -0.049 0.000 2.548 437 S HA 0.756 5.225 4.470 -0.000 0.000 0.276 437 S C -1.283 173.289 174.600 -0.047 0.000 1.129 437 S CA -0.883 57.289 58.200 -0.046 0.000 0.931 437 S CB 1.659 64.834 63.200 -0.043 0.000 1.068 437 S HN 0.944 nan 8.310 nan 0.000 0.480 438 Q N 0.049 119.822 119.800 -0.044 0.000 2.575 438 Q HA 0.752 5.091 4.340 -0.000 0.000 0.290 438 Q C -1.958 174.022 176.000 -0.032 0.000 0.963 438 Q CA -1.069 54.711 55.803 -0.039 0.000 0.783 438 Q CB 1.229 29.942 28.738 -0.042 0.000 1.467 438 Q HN 0.378 nan 8.270 nan 0.000 0.402 439 V N 1.567 121.468 119.914 -0.021 0.000 2.394 439 V HA 0.493 4.613 4.120 -0.000 0.000 0.282 439 V C -0.345 175.754 176.094 0.009 0.000 1.031 439 V CA -0.572 61.723 62.300 -0.009 0.000 0.881 439 V CB 1.305 33.126 31.823 -0.003 0.000 0.982 439 V HN 0.716 nan 8.190 nan 0.000 0.451 440 R N 5.435 125.948 120.500 0.023 0.000 2.246 440 R HA 0.561 4.901 4.340 -0.000 0.000 0.332 440 R C -1.239 175.144 176.300 0.139 0.000 0.974 440 R CA -0.579 55.554 56.100 0.055 0.000 0.837 440 R CB 0.690 30.997 30.300 0.012 0.000 1.145 440 R HN 0.693 nan 8.270 nan 0.000 0.467 441 L N 6.600 127.903 121.223 0.133 0.000 2.292 441 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 441 L C -0.441 176.575 176.870 0.244 0.000 1.065 441 L CA -0.666 54.264 54.840 0.149 0.000 0.806 441 L CB 0.688 42.792 42.059 0.076 0.000 1.175 441 L HN 0.602 nan 8.230 nan 0.000 0.431 442 F N 0.631 120.586 119.950 0.008 0.000 2.645 442 F HA 0.830 5.357 4.527 -0.000 0.000 0.310 442 F C -0.495 175.316 175.800 0.018 0.000 1.102 442 F CA -0.787 57.220 58.000 0.012 0.000 0.952 442 F CB 1.532 40.536 39.000 0.006 0.000 1.326 442 F HN 0.413 nan 8.300 nan 0.000 0.456 443 T N -1.961 112.558 114.554 -0.058 0.000 2.907 443 T HA 0.400 4.750 4.350 -0.000 0.000 0.290 443 T C 0.667 175.367 174.700 -0.001 0.000 1.066 443 T CA -0.125 61.887 62.100 -0.148 0.000 1.012 443 T CB 1.082 69.920 68.868 -0.051 0.000 1.184 443 T HN 1.047 nan 8.240 nan 0.000 0.522 444 S N 0.117 115.803 115.700 -0.023 0.000 2.442 444 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 444 S C 1.327 175.971 174.600 0.073 0.000 1.007 444 S CA 1.262 59.490 58.200 0.046 0.000 0.965 444 S CB -0.891 62.320 63.200 0.019 0.000 0.773 444 S HN 0.899 nan 8.310 nan 0.000 0.504 445 D N 0.702 121.137 120.400 0.058 0.000 2.363 445 D HA 0.205 4.845 4.640 -0.000 0.000 0.226 445 D C 1.455 177.801 176.300 0.076 0.000 1.020 445 D CA 0.699 54.734 54.000 0.058 0.000 0.892 445 D CB -0.800 40.024 40.800 0.040 0.000 0.900 445 D HN 0.608 nan 8.370 nan 0.000 0.531 446 G N -0.651 108.221 108.800 0.120 0.000 2.195 446 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 446 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 446 G C 0.444 175.418 174.900 0.123 0.000 0.984 446 G CA 0.252 45.428 45.100 0.127 0.000 0.633 446 G HN 0.464 nan 8.290 nan 0.000 0.525 447 T N 1.230 115.852 114.554 0.113 0.000 2.902 447 T HA 0.462 4.811 4.350 -0.000 0.000 0.301 447 T C 0.258 175.044 174.700 0.144 0.000 1.012 447 T CA 1.274 63.434 62.100 0.100 0.000 1.151 447 T CB 1.462 70.375 68.868 0.074 0.000 0.946 447 T HN 0.787 nan 8.240 nan 0.000 0.542 448 S N 3.066 118.835 115.700 0.115 0.000 2.571 448 S HA 0.667 5.137 4.470 -0.000 0.000 0.284 448 S C -1.255 173.398 174.600 0.088 0.000 1.128 448 S CA -1.010 57.266 58.200 0.127 0.000 0.970 448 S CB 0.682 63.927 63.200 0.076 0.000 1.039 448 S HN 0.531 nan 8.310 nan 0.000 0.485 449 R N 2.161 122.716 120.500 0.091 0.000 2.621 449 R HA 0.555 4.895 4.340 -0.000 0.000 0.284 449 R C -0.930 175.404 176.300 0.057 0.000 0.998 449 R CA -0.605 55.536 56.100 0.068 0.000 0.895 449 R CB 1.572 31.913 30.300 0.068 0.000 1.195 449 R HN 0.848 nan 8.270 nan 0.000 0.450 450 T N -2.171 112.406 114.554 0.039 0.000 2.887 450 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 450 T C -0.266 174.440 174.700 0.011 0.000 1.021 450 T CA -0.758 61.354 62.100 0.019 0.000 1.000 450 T CB 1.935 70.800 68.868 -0.004 0.000 1.034 450 T HN 0.127 nan 8.240 nan 0.000 0.467 451 V N 3.208 123.123 119.914 0.002 0.000 2.313 451 V HA 0.642 4.762 4.120 -0.000 0.000 0.278 451 V C 0.222 176.300 176.094 -0.026 0.000 1.017 451 V CA -0.554 61.742 62.300 -0.007 0.000 0.823 451 V CB 0.597 32.421 31.823 0.002 0.000 1.010 451 V HN 1.217 nan 8.190 nan 0.000 0.443 452 S N 5.154 120.826 115.700 -0.047 0.000 2.599 452 S HA 0.824 5.294 4.470 -0.000 0.000 0.294 452 S C -1.049 173.509 174.600 -0.070 0.000 1.094 452 S CA -0.859 57.303 58.200 -0.062 0.000 0.931 452 S CB 2.228 65.378 63.200 -0.083 0.000 1.093 452 S HN 0.504 nan 8.310 nan 0.000 0.488 453 L N 2.042 123.226 121.223 -0.066 0.000 2.283 453 L HA 0.638 4.978 4.340 -0.000 0.000 0.281 453 L C -0.887 175.937 176.870 -0.076 0.000 1.033 453 L CA 0.310 55.112 54.840 -0.065 0.000 0.848 453 L CB 0.636 42.665 42.059 -0.049 0.000 1.226 453 L HN 0.911 nan 8.230 nan 0.000 0.429 454 T N 3.930 118.426 114.554 -0.097 0.000 2.840 454 T HA 0.355 4.704 4.350 -0.000 0.000 0.287 454 T C 0.043 174.685 174.700 -0.096 0.000 0.991 454 T CA -0.481 61.552 62.100 -0.111 0.000 0.964 454 T CB 0.956 69.720 68.868 -0.175 0.000 0.954 454 T HN 0.550 nan 8.240 nan 0.000 0.438 455 N N 2.040 120.697 118.700 -0.073 0.000 2.710 455 N HA -0.238 4.501 4.740 -0.000 0.000 0.249 455 N C 1.145 176.626 175.510 -0.048 0.000 1.059 455 N CA 1.624 54.641 53.050 -0.055 0.000 0.720 455 N CB -1.339 37.116 38.487 -0.053 0.000 0.983 455 N HN 1.333 nan 8.380 nan 0.000 0.544 456 G N -1.719 107.052 108.800 -0.048 0.000 2.159 456 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.256 456 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.256 456 G C -0.126 174.750 174.900 -0.040 0.000 0.977 456 G CA 0.401 45.477 45.100 -0.040 0.000 0.652 456 G HN 0.553 nan 8.290 nan 0.000 0.531 457 N N -0.506 118.163 118.700 -0.052 0.000 2.272 457 N HA 0.522 5.261 4.740 -0.000 0.000 0.305 457 N C 0.019 175.491 175.510 -0.063 0.000 1.103 457 N CA -0.487 52.533 53.050 -0.050 0.000 0.791 457 N CB 2.259 40.718 38.487 -0.047 0.000 1.356 457 N HN 0.030 nan 8.380 nan 0.000 0.486 458 V N 2.005 121.890 119.914 -0.048 0.000 2.585 458 V HA 0.131 4.251 4.120 -0.000 0.000 0.296 458 V C 0.679 176.735 176.094 -0.064 0.000 1.035 458 V CA 0.242 62.512 62.300 -0.050 0.000 1.084 458 V CB -0.088 31.719 31.823 -0.028 0.000 0.953 458 V HN 0.434 nan 8.190 nan 0.000 0.483 459 R N 4.904 125.349 120.500 -0.092 0.000 2.599 459 R HA 0.691 5.030 4.340 -0.000 0.000 0.295 459 R C -1.387 174.889 176.300 -0.040 0.000 0.963 459 R CA -0.799 55.238 56.100 -0.106 0.000 0.883 459 R CB 1.979 32.091 30.300 -0.313 0.000 1.171 459 R HN 0.564 nan 8.270 nan 0.000 0.450 460 L N 1.824 123.060 121.223 0.023 0.000 2.319 460 L HA 0.373 4.713 4.340 -0.000 0.000 0.281 460 L C -0.148 176.765 176.870 0.071 0.000 1.005 460 L CA -0.719 54.144 54.840 0.039 0.000 0.828 460 L CB 2.038 44.122 42.059 0.042 0.000 1.227 460 L HN 0.560 nan 8.230 nan 0.000 0.415 461 S N 0.628 116.367 115.700 0.066 0.000 2.516 461 S HA 0.076 4.546 4.470 -0.000 0.000 0.282 461 S C 1.165 175.804 174.600 0.066 0.000 1.286 461 S CA -0.170 58.080 58.200 0.084 0.000 1.066 461 S CB 0.960 64.202 63.200 0.071 0.000 0.884 461 S HN 0.814 nan 8.310 nan 0.000 0.491 462 T N -0.893 113.685 114.554 0.040 0.000 3.022 462 T HA 0.274 4.624 4.350 -0.000 0.000 0.250 462 T C 0.682 175.436 174.700 0.089 0.000 1.060 462 T CA 0.306 62.437 62.100 0.052 0.000 1.013 462 T CB -0.041 68.779 68.868 -0.081 0.000 0.982 462 T HN 0.645 nan 8.240 nan 0.000 0.508 463 S N 0.454 116.193 115.700 0.064 0.000 2.755 463 S HA 0.432 4.901 4.470 -0.000 0.000 0.286 463 S C 1.149 175.783 174.600 0.058 0.000 1.207 463 S CA 0.053 58.292 58.200 0.066 0.000 0.892 463 S CB 0.812 64.050 63.200 0.064 0.000 1.240 463 S HN 0.277 nan 8.310 nan 0.000 0.525 464 S N 0.336 116.066 115.700 0.051 0.000 2.419 464 S HA -0.074 4.395 4.470 -0.000 0.000 0.233 464 S C 1.508 176.137 174.600 0.048 0.000 1.016 464 S CA 1.901 60.130 58.200 0.047 0.000 0.974 464 S CB -1.255 61.968 63.200 0.039 0.000 0.786 464 S HN 1.410 nan 8.310 nan 0.000 0.492 465 T N -3.091 111.490 114.554 0.045 0.000 2.954 465 T HA 0.453 4.803 4.350 -0.000 0.000 0.252 465 T C 0.873 175.603 174.700 0.050 0.000 0.983 465 T CA 0.181 62.311 62.100 0.050 0.000 0.941 465 T CB -0.049 68.836 68.868 0.028 0.000 1.141 465 T HN 0.455 nan 8.240 nan 0.000 0.500 466 G N 0.980 109.781 108.800 0.002 0.000 2.477 466 G HA2 0.620 4.579 3.960 -0.000 0.000 0.304 466 G HA3 0.620 4.579 3.960 -0.000 0.000 0.304 466 G C -1.135 173.727 174.900 -0.064 0.000 1.175 466 G CA -1.014 44.007 45.100 -0.132 0.000 0.907 466 G HN 0.605 nan 8.290 nan 0.000 0.509 467 Y N -2.139 118.075 120.300 -0.142 0.000 2.656 467 Y HA 0.658 5.208 4.550 -0.000 0.000 0.334 467 Y C -1.365 174.407 175.900 -0.213 0.000 1.179 467 Y CA -1.728 56.284 58.100 -0.147 0.000 1.050 467 Y CB 1.042 39.451 38.460 -0.084 0.000 1.308 467 Y HN 0.449 nan 8.280 nan 0.000 0.456 468 L N 2.789 124.053 121.223 0.068 0.000 2.295 468 L HA 0.512 4.852 4.340 -0.000 0.000 0.285 468 L C -0.421 176.550 176.870 0.168 0.000 1.035 468 L CA -0.733 54.128 54.840 0.035 0.000 0.806 468 L CB 1.881 43.930 42.059 -0.017 0.000 1.214 468 L HN 0.758 nan 8.230 nan 0.000 0.426 469 Q N 3.207 123.108 119.800 0.168 0.000 2.325 469 Q HA 0.382 4.722 4.340 -0.000 0.000 0.262 469 Q C -1.371 174.653 176.000 0.038 0.000 0.968 469 Q CA -0.894 54.971 55.803 0.102 0.000 0.877 469 Q CB 1.504 30.331 28.738 0.148 0.000 1.253 469 Q HN 0.467 nan 8.270 nan 0.000 0.448 470 L N 4.547 125.776 121.223 0.010 0.000 2.389 470 L HA 0.405 4.745 4.340 -0.000 0.000 0.265 470 L C 0.634 177.500 176.870 -0.006 0.000 1.167 470 L CA 0.193 55.034 54.840 0.002 0.000 1.045 470 L CB 0.596 42.654 42.059 -0.001 0.000 1.351 470 L HN 0.687 nan 8.230 nan 0.000 0.419 471 G N 0.596 109.394 108.800 -0.004 0.000 2.599 471 G HA2 0.422 4.382 3.960 -0.000 0.000 0.264 471 G HA3 0.422 4.382 3.960 -0.000 0.000 0.264 471 G C 0.948 175.842 174.900 -0.011 0.000 1.200 471 G CA 0.043 45.138 45.100 -0.009 0.000 0.896 471 G HN 0.616 nan 8.290 nan 0.000 0.536 472 A N -0.266 122.547 122.820 -0.012 0.000 2.019 472 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 472 A C 1.827 179.404 177.584 -0.012 0.000 1.164 472 A CA 2.207 54.237 52.037 -0.012 0.000 0.644 472 A CB -0.166 18.827 19.000 -0.012 0.000 0.805 472 A HN 0.642 nan 8.150 nan 0.000 0.449 473 D N -1.910 118.482 120.400 -0.013 0.000 2.423 473 D HA 0.465 5.104 4.640 -0.000 0.000 0.208 473 D C 0.428 176.715 176.300 -0.022 0.000 1.068 473 D CA 0.847 54.838 54.000 -0.016 0.000 0.860 473 D CB 0.061 40.851 40.800 -0.016 0.000 0.992 473 D HN 0.436 nan 8.370 nan 0.000 0.504 474 A N 0.113 122.919 122.820 -0.023 0.000 2.589 474 A HA 0.571 4.891 4.320 -0.000 0.000 0.296 474 A C -1.417 176.155 177.584 -0.022 0.000 1.062 474 A CA -0.864 51.153 52.037 -0.032 0.000 0.686 474 A CB 1.473 20.446 19.000 -0.045 0.000 1.282 474 A HN 0.137 nan 8.150 nan 0.000 0.404 475 M N 2.430 122.016 119.600 -0.023 0.000 2.144 475 M HA 0.578 5.058 4.480 -0.000 0.000 0.356 475 M C -0.220 176.073 176.300 -0.012 0.000 1.217 475 M CA 0.185 55.481 55.300 -0.008 0.000 1.087 475 M CB 0.888 33.488 32.600 0.001 0.000 1.609 475 M HN 0.924 nan 8.290 nan 0.000 0.467 476 T N 3.183 117.738 114.554 0.002 0.000 2.900 476 T HA 0.771 5.121 4.350 -0.000 0.000 0.295 476 T C -2.932 171.752 174.700 -0.027 0.000 1.044 476 T CA -1.641 60.454 62.100 -0.008 0.000 0.995 476 T CB 1.601 70.468 68.868 -0.002 0.000 1.072 476 T HN 0.475 nan 8.240 nan 0.000 0.473 477 P HA 0.249 nan 4.420 nan 0.000 0.278 477 P C 0.360 177.505 177.300 -0.259 0.000 1.258 477 P CA -0.394 62.588 63.100 -0.196 0.000 0.811 477 P CB 0.978 32.601 31.700 -0.129 0.000 1.063 478 D N -0.592 119.479 120.400 -0.549 0.000 2.219 478 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 478 D C 0.318 176.439 176.300 -0.298 0.000 0.970 478 D CA 0.773 54.353 54.000 -0.700 0.000 0.851 478 D CB 0.077 40.064 40.800 -1.354 0.000 0.943 478 D HN 0.415 nan 8.370 nan 0.000 0.488 479 S N -1.351 114.223 115.700 -0.211 0.000 2.595 479 S HA 0.421 4.891 4.470 -0.000 0.000 0.281 479 S C -0.648 173.923 174.600 -0.050 0.000 1.117 479 S CA -0.812 57.327 58.200 -0.101 0.000 0.873 479 S CB 2.234 65.384 63.200 -0.083 0.000 1.108 479 S HN -0.014 nan 8.310 nan 0.000 0.477 480 T N 0.660 115.200 114.554 -0.024 0.000 2.889 480 T HA 0.546 4.896 4.350 -0.000 0.000 0.291 480 T C 1.357 176.065 174.700 0.013 0.000 0.995 480 T CA 1.104 63.201 62.100 -0.004 0.000 1.092 480 T CB 0.007 68.872 68.868 -0.005 0.000 0.954 480 T HN 2.183 nan 8.240 nan 0.000 0.506 481 G N 2.567 111.383 108.800 0.027 0.000 2.179 481 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.257 481 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.257 481 G C 0.680 175.604 174.900 0.038 0.000 1.010 481 G CA 1.260 46.379 45.100 0.032 0.000 0.736 481 G HN 1.166 nan 8.290 nan 0.000 0.513 482 T N -4.933 109.657 114.554 0.060 0.000 2.958 482 T HA 0.422 4.772 4.350 -0.000 0.000 0.256 482 T C 0.433 175.203 174.700 0.117 0.000 0.983 482 T CA 0.391 62.532 62.100 0.069 0.000 0.924 482 T CB 0.597 69.500 68.868 0.058 0.000 1.136 482 T HN 0.574 nan 8.240 nan 0.000 0.506 483 Y N 2.099 122.398 120.300 -0.001 0.000 2.352 483 Y HA 0.717 5.267 4.550 -0.000 0.000 0.339 483 Y C -0.264 175.660 175.900 0.041 0.000 0.992 483 Y CA -1.554 56.553 58.100 0.012 0.000 1.100 483 Y CB 1.413 39.873 38.460 -0.000 0.000 1.192 483 Y HN 0.376 nan 8.280 nan 0.000 0.458 484 A N 5.935 128.562 122.820 -0.321 0.000 2.306 484 A HA 0.686 5.006 4.320 -0.000 0.000 0.330 484 A C -1.448 176.099 177.584 -0.061 0.000 1.146 484 A CA -0.837 51.127 52.037 -0.122 0.000 0.827 484 A CB 0.677 19.605 19.000 -0.119 0.000 1.178 484 A HN 0.797 nan 8.150 nan 0.000 0.490 485 L N 2.591 123.914 121.223 0.168 0.000 2.272 485 L HA 0.575 4.914 4.340 -0.000 0.000 0.284 485 L C 0.803 177.920 176.870 0.411 0.000 1.045 485 L CA 0.298 55.388 54.840 0.417 0.000 0.842 485 L CB 0.065 42.425 42.059 0.503 0.000 1.224 485 L HN 1.242 nan 8.230 nan 0.000 0.430 486 G N 2.500 111.314 108.800 0.024 0.000 2.661 486 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.685 486 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.685 486 G C -0.630 174.104 174.900 -0.276 0.000 1.298 486 G CA -0.310 44.507 45.100 -0.471 0.000 0.855 486 G HN 0.808 nan 8.290 nan 0.000 0.560 487 S N -1.119 114.398 115.700 -0.305 0.000 2.661 487 S HA 0.901 5.371 4.470 -0.000 0.000 0.285 487 S C 1.358 175.853 174.600 -0.175 0.000 1.138 487 S CA 0.384 58.469 58.200 -0.192 0.000 0.855 487 S CB 1.528 64.630 63.200 -0.165 0.000 1.136 487 S HN 2.465 nan 8.310 nan 0.000 0.484 488 A N 1.144 123.893 122.820 -0.119 0.000 1.940 488 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 488 A C 2.218 179.741 177.584 -0.103 0.000 1.176 488 A CA 2.193 54.172 52.037 -0.097 0.000 0.631 488 A CB -1.282 17.678 19.000 -0.068 0.000 0.814 488 A HN 1.029 nan 8.150 nan 0.000 0.446 489 S N -1.449 114.188 115.700 -0.105 0.000 2.470 489 S HA 0.043 4.513 4.470 -0.000 0.000 0.225 489 S C 0.681 175.208 174.600 -0.123 0.000 1.006 489 S CA 0.141 58.284 58.200 -0.096 0.000 0.934 489 S CB -0.066 63.086 63.200 -0.079 0.000 0.778 489 S HN 0.390 nan 8.310 nan 0.000 0.517 490 R N 1.565 121.958 120.500 -0.178 0.000 2.629 490 R HA 0.517 4.856 4.340 -0.000 0.000 0.275 490 R C -0.890 175.171 176.300 -0.398 0.000 1.719 490 R CA -0.122 55.834 56.100 -0.239 0.000 1.472 490 R CB 0.553 30.717 30.300 -0.227 0.000 1.237 490 R HN 0.257 nan 8.270 nan 0.000 0.589 491 A N 1.282 123.897 122.820 -0.340 0.000 2.294 491 A HA 0.711 5.030 4.320 -0.000 0.000 0.330 491 A C -0.606 176.742 177.584 -0.393 0.000 1.133 491 A CA -0.627 51.157 52.037 -0.421 0.000 0.836 491 A CB 0.647 19.529 19.000 -0.198 0.000 1.190 491 A HN 0.505 nan 8.150 nan 0.000 0.492 492 W N 0.542 121.835 121.300 -0.011 0.000 2.112 492 W HA 0.290 4.950 4.660 -0.000 0.000 0.349 492 W C 1.646 178.157 176.519 -0.013 0.000 1.289 492 W CA 0.288 57.629 57.345 -0.006 0.000 1.256 492 W CB 0.472 29.928 29.460 -0.008 0.000 1.148 492 W HN 0.842 nan 8.180 nan 0.000 0.590 493 S N 0.510 116.365 115.700 0.259 0.000 2.402 493 S HA 0.308 4.778 4.470 -0.000 0.000 0.229 493 S C 0.850 175.511 174.600 0.103 0.000 1.021 493 S CA 0.660 58.943 58.200 0.137 0.000 0.974 493 S CB -0.368 62.906 63.200 0.122 0.000 0.800 493 S HN 0.965 nan 8.310 nan 0.000 0.484 494 G N -1.219 107.657 108.800 0.127 0.000 2.367 494 G HA2 0.517 4.476 3.960 -0.000 0.000 0.272 494 G HA3 0.517 4.476 3.960 -0.000 0.000 0.272 494 G C -0.550 174.315 174.900 -0.058 0.000 1.271 494 G CA -0.199 44.896 45.100 -0.010 0.000 0.893 494 G HN 1.246 nan 8.290 nan 0.000 0.485 495 G N -1.921 106.738 108.800 -0.235 0.000 2.356 495 G HA2 0.645 4.605 3.960 -0.000 0.000 0.294 495 G HA3 0.645 4.605 3.960 -0.000 0.000 0.294 495 G C -2.247 172.399 174.900 -0.422 0.000 1.423 495 G CA -0.556 44.440 45.100 -0.174 0.000 0.806 495 G HN 0.968 nan 8.290 nan 0.000 0.527 496 F N 0.154 120.047 119.950 -0.096 0.000 2.557 496 F HA 0.734 5.261 4.527 -0.000 0.000 0.316 496 F C 0.276 176.053 175.800 -0.038 0.000 1.141 496 F CA -0.652 57.310 58.000 -0.063 0.000 0.922 496 F CB 2.970 41.948 39.000 -0.036 0.000 1.194 496 F HN 0.512 nan 8.300 nan 0.000 0.443 497 T N 2.366 116.977 114.554 0.095 0.000 2.916 497 T HA 0.165 4.515 4.350 -0.000 0.000 0.298 497 T C 0.328 175.094 174.700 0.109 0.000 1.031 497 T CA -0.326 61.850 62.100 0.127 0.000 0.993 497 T CB 1.826 70.785 68.868 0.152 0.000 1.045 497 T HN 0.680 nan 8.240 nan 0.000 0.454 498 Q N 2.386 122.253 119.800 0.112 0.000 2.079 498 Q HA 0.168 4.508 4.340 -0.000 0.000 0.200 498 Q C 0.534 176.577 176.000 0.072 0.000 0.974 498 Q CA 1.036 56.889 55.803 0.082 0.000 0.840 498 Q CB -0.055 28.723 28.738 0.066 0.000 0.898 498 Q HN 0.799 nan 8.270 nan 0.000 0.430 499 A N -0.026 122.849 122.820 0.091 0.000 2.350 499 A HA 0.712 5.032 4.320 -0.000 0.000 0.324 499 A C -0.625 177.039 177.584 0.133 0.000 1.118 499 A CA -0.049 52.040 52.037 0.087 0.000 0.783 499 A CB 1.104 20.148 19.000 0.073 0.000 1.236 499 A HN 0.293 nan 8.150 nan 0.000 0.457 500 A N 1.540 124.419 122.820 0.097 0.000 2.520 500 A HA 0.479 4.799 4.320 -0.000 0.000 0.235 500 A C -0.153 177.584 177.584 0.256 0.000 1.065 500 A CA -0.045 52.057 52.037 0.109 0.000 0.764 500 A CB -0.357 18.672 19.000 0.048 0.000 1.002 500 A HN 0.633 nan 8.150 nan 0.000 0.502 501 F N 1.025 120.973 119.950 -0.003 0.000 2.607 501 F HA 0.116 4.643 4.527 -0.000 0.000 0.374 501 F C 1.461 177.264 175.800 0.004 0.000 1.104 501 F CA 0.198 58.199 58.000 0.001 0.000 1.296 501 F CB -0.049 38.953 39.000 0.003 0.000 1.085 501 F HN 0.492 nan 8.300 nan 0.000 0.584 502 T N 3.895 118.531 114.554 0.137 0.000 2.794 502 T HA 0.322 4.671 4.350 -0.000 0.000 0.296 502 T C -0.068 174.672 174.700 0.066 0.000 0.949 502 T CA -0.463 61.679 62.100 0.069 0.000 1.101 502 T CB 0.692 69.571 68.868 0.017 0.000 0.905 502 T HN 0.236 nan 8.240 nan 0.000 0.516 503 V N 5.664 125.615 119.914 0.061 0.000 2.385 503 V HA 0.297 4.417 4.120 -0.000 0.000 0.269 503 V C 1.084 177.197 176.094 0.032 0.000 1.043 503 V CA -0.670 61.662 62.300 0.053 0.000 0.906 503 V CB 0.613 32.465 31.823 0.049 0.000 0.995 503 V HN 1.108 nan 8.190 nan 0.000 0.467 504 T N 0.000 114.570 114.554 0.026 0.000 3.816 504 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 504 T CA 0.000 62.109 62.100 0.015 0.000 1.349 504 T CB 0.000 68.873 68.868 0.008 0.000 0.612 504 T HN 0.000 nan 8.240 nan 0.000 0.658