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 3dxw_1_B DATA FIRST_RESID 3 DATA SEQUENCE KALYDRDGAA IGNLQKLRFF PLAISGGRGA RLIEENGREL IDLSGAWGAA DATA SEQUENCE SLGYGHPAIV AAVSAAAANP AGATILSASN APAVTLAERL LASFPGEGTH DATA SEQUENCE KIWFGHSGSD ANEAAYRAIV KATGRSGVIA FAGAYHGCTV GSMAFSGHXX DATA SEQUENCE XXXXXXADGL ILLPYPDPYR PYRNDPTGDA ILTLLTEKLA AVPAGSIGAA DATA SEQUENCE FIEPIQSDGG LIVPPDGFLR KFADICRAHG ILVVCDEVKV GLARSGRLHC DATA SEQUENCE FEHEGFVPDI LVLGKGLGGG LPLSAVIAPA EILDCASAFA MQTLHGNPIS DATA SEQUENCE AAAGLAVLET IDRDDLPAMA ERKGRLLRDG LSELAKRHPL IGDIRGRGLA DATA SEQUENCE CGMELVCDRQ SREPARAETA KLIYRAYQLG LVVYYVGMNG NVLEFTPPLT DATA SEQUENCE ITETDIHKAL DLLDRAFSEL SAVSNEEIAQ FAGW 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.621 176.600 0.035 0.000 0.988 3 K CA 0.000 56.302 56.287 0.025 0.000 0.838 3 K CB 0.000 32.514 32.500 0.024 0.000 1.064 4 A N 1.444 124.296 122.820 0.052 0.000 2.386 4 A HA 0.279 4.599 4.320 -0.000 0.000 0.248 4 A C 1.108 178.737 177.584 0.076 0.000 1.082 4 A CA -0.154 51.925 52.037 0.071 0.000 0.789 4 A CB 0.256 19.314 19.000 0.098 0.000 1.025 4 A HN 0.286 nan 8.150 nan 0.000 0.490 5 L N 1.321 122.594 121.223 0.083 0.000 2.042 5 L HA -0.182 4.157 4.340 -0.000 0.000 0.210 5 L C 2.001 178.918 176.870 0.079 0.000 1.076 5 L CA 2.335 57.217 54.840 0.069 0.000 0.749 5 L CB -1.079 41.025 42.059 0.074 0.000 0.893 5 L HN 0.846 nan 8.230 nan 0.000 0.432 6 Y N 0.466 120.790 120.300 0.041 0.000 2.145 6 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 6 Y C 2.399 178.321 175.900 0.037 0.000 1.145 6 Y CA 2.108 60.238 58.100 0.049 0.000 1.148 6 Y CB -0.258 38.252 38.460 0.084 0.000 0.981 6 Y HN 0.345 nan 8.280 nan 0.000 0.507 7 D N -0.348 120.134 120.400 0.137 0.000 2.104 7 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 7 D C 2.242 178.524 176.300 -0.030 0.000 0.994 7 D CA 1.469 55.501 54.000 0.053 0.000 0.830 7 D CB -0.312 40.528 40.800 0.068 0.000 0.959 7 D HN 0.408 nan 8.370 nan 0.000 0.452 8 R N 0.730 121.214 120.500 -0.027 0.000 2.091 8 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 8 R C 2.061 178.307 176.300 -0.090 0.000 1.136 8 R CA 1.180 57.253 56.100 -0.045 0.000 0.959 8 R CB -0.376 29.910 30.300 -0.025 0.000 0.856 8 R HN 0.299 nan 8.270 nan 0.000 0.437 9 D N 0.157 120.470 120.400 -0.146 0.000 2.116 9 D HA -0.159 4.480 4.640 -0.000 0.000 0.193 9 D C 1.783 177.949 176.300 -0.224 0.000 0.998 9 D CA 1.732 55.604 54.000 -0.214 0.000 0.836 9 D CB -0.181 40.410 40.800 -0.349 0.000 0.951 9 D HN 0.333 nan 8.370 nan 0.000 0.449 10 G N 0.132 108.785 108.800 -0.245 0.000 2.443 10 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.219 10 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.219 10 G C 1.611 176.447 174.900 -0.107 0.000 1.131 10 G CA 0.985 45.980 45.100 -0.175 0.000 0.775 10 G HN 0.457 nan 8.290 nan 0.000 0.547 11 A N 0.117 122.884 122.820 -0.088 0.000 2.095 11 A HA 0.651 4.971 4.320 -0.000 0.000 0.212 11 A C 2.418 179.966 177.584 -0.061 0.000 1.162 11 A CA 1.502 53.502 52.037 -0.062 0.000 0.753 11 A CB -0.065 18.909 19.000 -0.044 0.000 0.840 11 A HN 0.549 nan 8.150 nan 0.000 0.468 12 A N -0.871 121.906 122.820 -0.071 0.000 2.085 12 A HA 0.524 4.844 4.320 -0.000 0.000 0.208 12 A C 0.595 178.139 177.584 -0.067 0.000 1.191 12 A CA 0.263 52.263 52.037 -0.062 0.000 0.799 12 A CB 0.064 19.030 19.000 -0.057 0.000 0.877 12 A HN 0.332 nan 8.150 nan 0.000 0.473 13 I N 0.462 120.981 120.570 -0.086 0.000 2.389 13 I HA 0.452 4.622 4.170 -0.000 0.000 0.288 13 I C 0.852 176.914 176.117 -0.091 0.000 0.999 13 I CA -0.766 60.481 61.300 -0.088 0.000 1.129 13 I CB 1.762 39.702 38.000 -0.101 0.000 1.288 13 I HN 0.195 nan 8.210 nan 0.000 0.444 14 G N 3.546 112.300 108.800 -0.078 0.000 2.614 14 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.239 14 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.239 14 G C 0.575 175.422 174.900 -0.088 0.000 1.240 14 G CA -0.263 44.792 45.100 -0.075 0.000 0.842 14 G HN 0.784 nan 8.290 nan 0.000 0.584 15 N N 0.024 118.673 118.700 -0.084 0.000 2.457 15 N HA -0.084 4.656 4.740 -0.000 0.000 0.180 15 N C 2.314 177.765 175.510 -0.098 0.000 1.050 15 N CA 0.007 53.001 53.050 -0.094 0.000 0.906 15 N CB -0.006 38.431 38.487 -0.084 0.000 0.968 15 N HN 0.367 nan 8.380 nan 0.000 0.445 16 L N 1.881 123.053 121.223 -0.084 0.000 2.103 16 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 16 L C 2.105 178.916 176.870 -0.098 0.000 1.080 16 L CA 1.847 56.639 54.840 -0.080 0.000 0.764 16 L CB -0.229 41.791 42.059 -0.065 0.000 0.890 16 L HN 0.365 nan 8.230 nan 0.000 0.435 17 Q N -1.696 118.039 119.800 -0.108 0.000 2.219 17 Q HA 0.129 4.469 4.340 -0.000 0.000 0.209 17 Q C 0.062 175.961 176.000 -0.167 0.000 0.854 17 Q CA -0.151 55.576 55.803 -0.127 0.000 0.960 17 Q CB 0.133 28.811 28.738 -0.101 0.000 1.116 17 Q HN 0.286 nan 8.270 nan 0.000 0.500 18 K N 1.246 121.542 120.400 -0.174 0.000 2.234 18 K HA 0.312 4.632 4.320 -0.000 0.000 0.282 18 K C -1.028 175.387 176.600 -0.309 0.000 1.039 18 K CA -0.492 55.671 56.287 -0.207 0.000 0.928 18 K CB 1.247 33.649 32.500 -0.163 0.000 1.039 18 K HN 0.055 nan 8.250 nan 0.000 0.470 19 L N 4.494 125.474 121.223 -0.406 0.000 2.594 19 L HA 0.235 4.575 4.340 -0.000 0.000 0.245 19 L C -1.152 175.229 176.870 -0.816 0.000 1.460 19 L CA -0.287 54.150 54.840 -0.672 0.000 0.865 19 L CB 0.328 41.943 42.059 -0.741 0.000 1.131 19 L HN 0.419 nan 8.230 nan 0.000 0.506 20 R N 1.649 121.753 120.500 -0.660 0.000 2.346 20 R HA 0.388 4.728 4.340 -0.000 0.000 0.311 20 R C -0.190 175.683 176.300 -0.712 0.000 0.983 20 R CA -0.281 55.513 56.100 -0.510 0.000 0.880 20 R CB 0.884 31.176 30.300 -0.012 0.000 1.100 20 R HN 0.373 nan 8.270 nan 0.000 0.453 21 F N 1.552 121.122 119.950 -0.633 0.000 2.724 21 F HA 0.257 4.784 4.527 -0.001 0.000 0.306 21 F C 0.091 175.343 175.800 -0.914 0.000 1.100 21 F CA -0.223 57.408 58.000 -0.616 0.000 1.255 21 F CB 0.400 39.008 39.000 -0.653 0.000 1.072 21 F HN 0.410 nan 8.300 nan 0.000 0.589 22 F N -3.113 116.253 119.950 -0.972 0.000 2.799 22 F HA 0.431 4.957 4.527 -0.000 0.000 0.316 22 F C -3.002 171.904 175.800 -1.491 0.000 1.155 22 F CA -2.872 54.073 58.000 -1.758 0.000 0.916 22 F CB 0.174 38.217 39.000 -1.595 0.000 1.294 22 F HN -0.382 nan 8.300 nan 0.000 0.447 23 P HA 0.148 nan 4.420 nan 0.000 0.228 23 P C -0.378 176.515 177.300 -0.678 0.000 1.748 23 P CA 0.250 62.602 63.100 -1.246 0.000 0.909 23 P CB 0.106 31.340 31.700 -0.777 0.000 1.882 24 L N 1.046 122.033 121.223 -0.395 0.000 2.477 24 L HA 0.425 4.765 4.340 -0.000 0.000 0.272 24 L C -0.224 176.771 176.870 0.209 0.000 1.157 24 L CA -0.092 54.763 54.840 0.025 0.000 0.889 24 L CB -0.141 42.035 42.059 0.196 0.000 1.158 24 L HN 0.187 nan 8.230 nan 0.000 0.473 25 A N 7.161 130.108 122.820 0.213 0.000 2.385 25 A HA 0.715 5.035 4.320 -0.000 0.000 0.290 25 A C -0.846 176.809 177.584 0.118 0.000 1.094 25 A CA -0.457 51.706 52.037 0.209 0.000 0.729 25 A CB 0.476 19.628 19.000 0.254 0.000 1.194 25 A HN 0.670 nan 8.150 nan 0.000 0.442 26 I N 2.368 122.982 120.570 0.074 0.000 2.474 26 I HA 0.382 4.552 4.170 -0.000 0.000 0.294 26 I C 1.126 177.244 176.117 0.002 0.000 1.005 26 I CA -0.376 60.938 61.300 0.023 0.000 1.113 26 I CB 2.512 40.506 38.000 -0.010 0.000 1.289 26 I HN 0.742 nan 8.210 nan 0.000 0.436 27 S N 2.386 118.078 115.700 -0.012 0.000 2.604 27 S HA 0.487 4.957 4.470 -0.000 0.000 0.235 27 S C 0.373 174.953 174.600 -0.034 0.000 1.043 27 S CA 0.000 58.191 58.200 -0.016 0.000 0.997 27 S CB 0.869 64.067 63.200 -0.003 0.000 0.956 27 S HN 0.823 nan 8.310 nan 0.000 0.535 28 G N -0.944 107.821 108.800 -0.059 0.000 2.645 28 G HA2 0.644 4.603 3.960 -0.000 0.000 0.292 28 G HA3 0.644 4.603 3.960 -0.000 0.000 0.292 28 G C -1.036 173.778 174.900 -0.143 0.000 1.415 28 G CA -0.351 44.704 45.100 -0.076 0.000 0.785 28 G HN 0.862 nan 8.290 nan 0.000 0.483 29 G N -0.818 107.906 108.800 -0.125 0.000 2.755 29 G HA2 0.638 4.597 3.960 -0.000 0.000 0.297 29 G HA3 0.638 4.597 3.960 -0.000 0.000 0.297 29 G C -1.567 173.354 174.900 0.035 0.000 1.441 29 G CA -0.616 44.380 45.100 -0.172 0.000 0.964 29 G HN 0.612 nan 8.290 nan 0.000 0.540 30 R N 1.525 122.096 120.500 0.119 0.000 2.508 30 R HA 0.537 4.877 4.340 -0.000 0.000 0.283 30 R C 0.877 177.276 176.300 0.166 0.000 1.120 30 R CA 0.550 56.728 56.100 0.130 0.000 0.958 30 R CB 1.253 31.589 30.300 0.059 0.000 1.215 30 R HN 2.005 nan 8.270 nan 0.000 0.427 31 G N 2.790 111.683 108.800 0.154 0.000 2.629 31 G HA2 -0.436 3.523 3.960 -0.000 0.000 0.313 31 G HA3 -0.436 3.523 3.960 -0.000 0.000 0.313 31 G C 0.428 175.396 174.900 0.115 0.000 1.217 31 G CA 0.533 45.694 45.100 0.103 0.000 0.994 31 G HN 0.888 nan 8.290 nan 0.000 0.549 32 A N 0.314 123.187 122.820 0.088 0.000 2.460 32 A HA 0.631 4.951 4.320 -0.000 0.000 0.258 32 A C 1.054 178.733 177.584 0.159 0.000 1.300 32 A CA 0.641 52.726 52.037 0.081 0.000 0.913 32 A CB 0.079 19.088 19.000 0.015 0.000 1.031 32 A HN 0.537 nan 8.150 nan 0.000 0.512 33 R N -0.541 120.077 120.500 0.197 0.000 2.589 33 R HA 0.696 5.036 4.340 -0.000 0.000 0.293 33 R C -1.101 175.254 176.300 0.092 0.000 0.963 33 R CA -0.413 55.759 56.100 0.120 0.000 0.905 33 R CB 1.594 31.927 30.300 0.055 0.000 1.144 33 R HN 0.289 nan 8.270 nan 0.000 0.459 34 L N 3.586 124.812 121.223 0.006 0.000 2.334 34 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 34 L C -0.326 176.508 176.870 -0.060 0.000 1.036 34 L CA -0.696 54.081 54.840 -0.104 0.000 0.807 34 L CB 1.462 43.469 42.059 -0.087 0.000 1.231 34 L HN 0.457 nan 8.230 nan 0.000 0.438 35 I N 1.585 122.111 120.570 -0.073 0.000 2.411 35 I HA 0.262 4.432 4.170 -0.000 0.000 0.284 35 I C 0.036 176.139 176.117 -0.023 0.000 1.012 35 I CA -0.542 60.733 61.300 -0.041 0.000 1.119 35 I CB 1.480 39.458 38.000 -0.037 0.000 1.261 35 I HN 0.615 nan 8.210 nan 0.000 0.448 36 E N 4.573 124.769 120.200 -0.006 0.000 2.408 36 E HA -0.027 4.323 4.350 -0.000 0.000 0.259 36 E C 0.975 177.585 176.600 0.016 0.000 1.110 36 E CA -0.063 56.350 56.400 0.021 0.000 0.929 36 E CB 1.134 30.852 29.700 0.031 0.000 0.971 36 E HN 0.641 nan 8.360 nan 0.000 0.438 37 E N 2.036 122.256 120.200 0.034 0.000 2.136 37 E HA -0.346 4.004 4.350 -0.000 0.000 0.208 37 E C 1.260 177.871 176.600 0.018 0.000 1.035 37 E CA 2.419 58.836 56.400 0.029 0.000 0.838 37 E CB -0.036 29.692 29.700 0.047 0.000 0.748 37 E HN 0.500 nan 8.360 nan 0.000 0.459 38 N N -0.978 117.731 118.700 0.016 0.000 2.409 38 N HA 0.009 4.748 4.740 -0.000 0.000 0.179 38 N C 1.388 176.896 175.510 -0.003 0.000 1.032 38 N CA 1.317 54.371 53.050 0.007 0.000 0.898 38 N CB 0.124 38.614 38.487 0.005 0.000 0.971 38 N HN 0.350 nan 8.380 nan 0.000 0.441 39 G N -0.761 108.035 108.800 -0.007 0.000 2.205 39 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.180 39 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.180 39 G C -0.113 174.774 174.900 -0.022 0.000 1.004 39 G CA -0.191 44.901 45.100 -0.013 0.000 0.670 39 G HN 0.509 nan 8.290 nan 0.000 0.496 40 R N 1.432 121.914 120.500 -0.029 0.000 2.522 40 R HA 0.315 4.655 4.340 -0.000 0.000 0.284 40 R C -0.342 175.929 176.300 -0.048 0.000 1.032 40 R CA 0.310 56.381 56.100 -0.047 0.000 1.049 40 R CB 0.186 30.445 30.300 -0.068 0.000 0.956 40 R HN 0.431 nan 8.270 nan 0.000 0.422 41 E N 4.371 124.540 120.200 -0.050 0.000 2.197 41 E HA 0.233 4.583 4.350 -0.000 0.000 0.281 41 E C -0.978 175.586 176.600 -0.061 0.000 0.995 41 E CA -0.693 55.681 56.400 -0.043 0.000 0.808 41 E CB 1.425 31.108 29.700 -0.029 0.000 1.093 41 E HN 0.306 nan 8.360 nan 0.000 0.394 42 L N 3.081 124.273 121.223 -0.052 0.000 2.362 42 L HA 0.453 4.793 4.340 -0.000 0.000 0.271 42 L C -0.301 176.550 176.870 -0.031 0.000 1.002 42 L CA -0.499 54.302 54.840 -0.066 0.000 0.818 42 L CB 1.332 43.347 42.059 -0.073 0.000 1.298 42 L HN 0.467 nan 8.230 nan 0.000 0.420 43 I N 1.553 122.100 120.570 -0.039 0.000 2.371 43 I HA 0.166 4.335 4.170 -0.000 0.000 0.290 43 I C -0.257 175.846 176.117 -0.022 0.000 1.028 43 I CA -0.108 61.182 61.300 -0.015 0.000 1.345 43 I CB 0.879 38.865 38.000 -0.022 0.000 1.407 43 I HN 0.534 nan 8.210 nan 0.000 0.501 44 D N 6.870 127.280 120.400 0.017 0.000 2.428 44 D HA 0.247 4.887 4.640 -0.000 0.000 0.221 44 D C 0.582 176.863 176.300 -0.031 0.000 1.123 44 D CA -0.091 53.908 54.000 -0.000 0.000 0.869 44 D CB 0.961 41.838 40.800 0.128 0.000 1.032 44 D HN 0.438 nan 8.370 nan 0.000 0.506 45 L N 2.254 123.431 121.223 -0.076 0.000 2.558 45 L HA 0.038 4.378 4.340 -0.000 0.000 0.225 45 L C 1.896 178.716 176.870 -0.083 0.000 1.128 45 L CA 0.126 54.955 54.840 -0.018 0.000 0.868 45 L CB 0.067 42.191 42.059 0.108 0.000 1.006 45 L HN 0.299 nan 8.230 nan 0.000 0.454 46 S N -0.241 115.328 115.700 -0.217 0.000 2.470 46 S HA 0.057 4.527 4.470 -0.000 0.000 0.222 46 S C 1.513 176.053 174.600 -0.099 0.000 1.024 46 S CA 0.671 58.713 58.200 -0.263 0.000 0.931 46 S CB -0.024 62.827 63.200 -0.583 0.000 0.791 46 S HN 0.550 nan 8.310 nan 0.000 0.513 47 G N 1.341 110.115 108.800 -0.043 0.000 2.341 47 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.292 47 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.292 47 G C 0.598 175.542 174.900 0.074 0.000 1.021 47 G CA 0.409 45.510 45.100 0.000 0.000 0.905 47 G HN 1.661 nan 8.290 nan 0.000 0.508 48 A N -1.785 121.099 122.820 0.106 0.000 2.739 48 A HA -0.045 4.275 4.320 -0.000 0.000 0.296 48 A C 1.207 178.955 177.584 0.274 0.000 1.488 48 A CA 1.585 53.724 52.037 0.171 0.000 0.746 48 A CB -2.152 17.002 19.000 0.256 0.000 1.047 48 A HN 2.216 nan 8.150 nan 0.000 0.477 49 W N -3.377 118.030 121.300 0.178 0.000 3.456 49 W HA -0.074 4.586 4.660 -0.001 0.000 0.314 49 W C 1.667 178.233 176.519 0.077 0.000 1.192 49 W CA 1.204 58.616 57.345 0.112 0.000 0.654 49 W CB -1.692 27.799 29.460 0.052 0.000 2.251 49 W HN 2.469 nan 8.180 nan 0.000 1.360 50 G N -2.026 106.896 108.800 0.203 0.000 2.176 50 G HA2 -0.079 3.880 3.960 -0.000 0.000 0.232 50 G HA3 -0.079 3.880 3.960 -0.000 0.000 0.232 50 G C 1.085 176.054 174.900 0.116 0.000 0.986 50 G CA 0.640 45.822 45.100 0.136 0.000 0.643 50 G HN 1.245 nan 8.290 nan 0.000 0.522 51 A N 0.272 123.181 122.820 0.148 0.000 1.969 51 A HA 0.545 4.865 4.320 -0.000 0.000 0.218 51 A C 2.089 179.710 177.584 0.063 0.000 1.169 51 A CA 2.050 54.161 52.037 0.122 0.000 0.635 51 A CB -0.364 18.732 19.000 0.160 0.000 0.810 51 A HN 1.946 nan 8.150 nan 0.000 0.445 52 A N 0.920 123.752 122.820 0.019 0.000 3.077 52 A HA 0.428 4.748 4.320 -0.000 0.000 0.255 52 A C 1.602 179.101 177.584 -0.142 0.000 1.728 52 A CA 0.514 52.481 52.037 -0.117 0.000 1.383 52 A CB -0.955 17.835 19.000 -0.350 0.000 1.097 52 A HN 0.730 nan 8.150 nan 0.000 0.634 53 S N 0.430 116.086 115.700 -0.074 0.000 2.370 53 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 53 S C 1.064 175.595 174.600 -0.116 0.000 1.033 53 S CA 1.236 59.394 58.200 -0.070 0.000 1.011 53 S CB -0.260 62.914 63.200 -0.043 0.000 0.852 53 S HN 0.401 nan 8.310 nan 0.000 0.457 54 L N 1.709 122.840 121.223 -0.154 0.000 2.700 54 L HA 0.462 4.802 4.340 -0.000 0.000 0.234 54 L C 1.396 178.187 176.870 -0.132 0.000 1.156 54 L CA 0.602 55.321 54.840 -0.203 0.000 0.946 54 L CB -0.589 41.243 42.059 -0.378 0.000 1.216 54 L HN 0.660 nan 8.230 nan 0.000 0.493 55 G N -0.748 107.910 108.800 -0.237 0.000 2.553 55 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.242 55 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.242 55 G C -0.529 174.107 174.900 -0.440 0.000 1.277 55 G CA -0.192 44.658 45.100 -0.417 0.000 0.910 55 G HN 0.107 nan 8.290 nan 0.000 0.576 56 Y N 0.388 120.729 120.300 0.070 0.000 2.364 56 Y HA 0.481 5.031 4.550 0.000 0.000 0.340 56 Y C 1.197 177.135 175.900 0.064 0.000 0.975 56 Y CA 0.264 58.401 58.100 0.060 0.000 1.089 56 Y CB 1.909 40.394 38.460 0.041 0.000 1.192 56 Y HN 2.006 nan 8.280 nan 0.000 0.454 57 G N 1.391 110.323 108.800 0.220 0.000 2.225 57 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 57 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 57 G C -0.065 174.897 174.900 0.102 0.000 1.024 57 G CA 0.077 45.257 45.100 0.133 0.000 0.784 57 G HN 0.822 nan 8.290 nan 0.000 0.507 58 H N 0.775 119.869 119.070 0.041 0.000 3.001 58 H HA 0.099 4.655 4.556 0.000 0.000 0.334 58 H C -0.851 174.488 175.328 0.018 0.000 1.034 58 H CA -0.212 55.847 56.048 0.018 0.000 1.420 58 H CB 1.131 30.893 29.762 -0.001 0.000 1.405 58 H HN 0.110 nan 8.280 nan 0.000 0.593 59 P HA -0.092 nan 4.420 nan 0.000 0.218 59 P C 0.964 178.306 177.300 0.071 0.000 1.149 59 P CA 1.718 64.777 63.100 -0.069 0.000 0.817 59 P CB 0.153 31.763 31.700 -0.151 0.000 0.785 60 A N -0.736 122.234 122.820 0.250 0.000 1.970 60 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 60 A C 2.104 179.772 177.584 0.140 0.000 1.170 60 A CA 0.986 53.145 52.037 0.204 0.000 0.645 60 A CB -1.216 17.927 19.000 0.238 0.000 0.816 60 A HN 0.012 nan 8.150 nan 0.000 0.447 61 I N -0.059 120.613 120.570 0.170 0.000 2.163 61 I HA -0.169 4.000 4.170 -0.000 0.000 0.240 61 I C 2.539 178.702 176.117 0.076 0.000 1.081 61 I CA 1.165 62.522 61.300 0.094 0.000 1.353 61 I CB -1.308 36.749 38.000 0.095 0.000 1.054 61 I HN 0.131 nan 8.210 nan 0.000 0.407 62 V N 1.609 121.573 119.914 0.083 0.000 2.252 62 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 62 V C 2.861 178.979 176.094 0.040 0.000 1.056 62 V CA 2.243 64.575 62.300 0.054 0.000 1.022 62 V CB -1.257 30.592 31.823 0.043 0.000 0.641 62 V HN 0.493 nan 8.190 nan 0.000 0.445 63 A N -0.231 122.613 122.820 0.040 0.000 1.877 63 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 63 A C 2.445 180.045 177.584 0.027 0.000 1.186 63 A CA 2.385 54.439 52.037 0.030 0.000 0.620 63 A CB -0.975 18.043 19.000 0.030 0.000 0.822 63 A HN 0.619 nan 8.150 nan 0.000 0.443 64 A N -0.715 122.124 122.820 0.032 0.000 1.865 64 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 64 A C 2.249 179.842 177.584 0.016 0.000 1.191 64 A CA 2.066 54.116 52.037 0.022 0.000 0.623 64 A CB -1.040 17.974 19.000 0.024 0.000 0.826 64 A HN 0.459 nan 8.150 nan 0.000 0.444 65 V N -0.334 119.592 119.914 0.021 0.000 2.548 65 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 65 V C 2.740 178.843 176.094 0.014 0.000 1.055 65 V CA 2.089 64.399 62.300 0.017 0.000 1.065 65 V CB -0.496 31.342 31.823 0.025 0.000 0.681 65 V HN 0.557 nan 8.190 nan 0.000 0.462 66 S N 0.434 116.144 115.700 0.017 0.000 2.368 66 S HA -0.120 4.349 4.470 -0.000 0.000 0.224 66 S C 2.209 176.815 174.600 0.010 0.000 1.029 66 S CA 1.380 59.588 58.200 0.013 0.000 0.988 66 S CB -0.379 62.829 63.200 0.015 0.000 0.838 66 S HN 0.641 nan 8.310 nan 0.000 0.462 67 A N 1.363 124.189 122.820 0.010 0.000 1.930 67 A HA 0.225 4.545 4.320 -0.000 0.000 0.217 67 A C 2.296 179.882 177.584 0.004 0.000 1.175 67 A CA 1.500 53.541 52.037 0.007 0.000 0.627 67 A CB -0.884 18.121 19.000 0.008 0.000 0.815 67 A HN 0.492 nan 8.150 nan 0.000 0.443 68 A N -0.112 122.709 122.820 0.003 0.000 1.898 68 A HA 0.224 4.544 4.320 -0.000 0.000 0.216 68 A C 2.461 180.044 177.584 -0.002 0.000 1.181 68 A CA 1.844 53.880 52.037 -0.002 0.000 0.620 68 A CB -0.884 18.112 19.000 -0.007 0.000 0.819 68 A HN 0.970 nan 8.150 nan 0.000 0.442 69 A N -0.248 122.573 122.820 0.001 0.000 1.930 69 A HA 0.246 4.566 4.320 -0.000 0.000 0.217 69 A C 2.444 180.029 177.584 0.001 0.000 1.175 69 A CA 1.808 53.845 52.037 0.001 0.000 0.627 69 A CB -0.830 18.172 19.000 0.004 0.000 0.815 69 A HN 0.951 nan 8.150 nan 0.000 0.443 70 A N -0.324 122.498 122.820 0.002 0.000 1.898 70 A HA -0.042 4.277 4.320 -0.000 0.000 0.216 70 A C 1.178 178.763 177.584 0.001 0.000 1.181 70 A CA 1.575 53.613 52.037 0.002 0.000 0.620 70 A CB -0.320 18.682 19.000 0.003 0.000 0.819 70 A HN 0.586 nan 8.150 nan 0.000 0.442 71 N N -0.027 118.673 118.700 0.001 0.000 2.762 71 N HA 0.326 5.066 4.740 -0.000 0.000 0.252 71 N C -3.203 172.306 175.510 -0.002 0.000 1.269 71 N CA -1.586 51.465 53.050 0.000 0.000 0.799 71 N CB 1.314 39.801 38.487 0.001 0.000 1.173 71 N HN 0.036 nan 8.380 nan 0.000 0.516 72 P HA 0.235 nan 4.420 nan 0.000 0.286 72 P C -0.542 176.754 177.300 -0.006 0.000 1.269 72 P CA -0.505 62.591 63.100 -0.006 0.000 0.787 72 P CB 1.459 33.155 31.700 -0.006 0.000 0.920 73 A N 3.327 126.142 122.820 -0.009 0.000 3.048 73 A HA 0.499 4.818 4.320 -0.000 0.000 0.264 73 A C 1.221 178.800 177.584 -0.009 0.000 1.796 73 A CA 0.542 52.574 52.037 -0.008 0.000 1.445 73 A CB -1.814 17.180 19.000 -0.010 0.000 1.074 73 A HN 0.899 nan 8.150 nan 0.000 0.621 74 G N 0.002 108.799 108.800 -0.006 0.000 2.562 74 G HA2 0.176 4.136 3.960 -0.000 0.000 0.250 74 G HA3 0.176 4.136 3.960 -0.000 0.000 0.250 74 G C 0.629 175.524 174.900 -0.007 0.000 1.269 74 G CA 0.061 45.158 45.100 -0.005 0.000 0.919 74 G HN 1.953 nan 8.290 nan 0.000 0.574 75 A N -1.599 121.218 122.820 -0.006 0.000 2.674 75 A HA 0.729 5.049 4.320 -0.000 0.000 0.274 75 A C 0.515 178.097 177.584 -0.004 0.000 1.065 75 A CA 1.825 53.859 52.037 -0.005 0.000 0.978 75 A CB 0.600 19.600 19.000 -0.000 0.000 1.242 75 A HN 2.175 nan 8.150 nan 0.000 0.583 76 T N -1.445 113.104 114.554 -0.008 0.000 2.885 76 T HA 0.448 4.798 4.350 -0.000 0.000 0.322 76 T C -0.668 174.029 174.700 -0.005 0.000 1.387 76 T CA -0.112 61.986 62.100 -0.004 0.000 1.041 76 T CB 1.201 70.070 68.868 0.002 0.000 1.287 76 T HN 0.346 nan 8.240 nan 0.000 0.491 77 I N 3.986 124.556 120.570 -0.000 0.000 3.956 77 I HA 0.397 4.567 4.170 -0.000 0.000 0.333 77 I C 1.415 177.549 176.117 0.028 0.000 1.302 77 I CA 0.231 61.541 61.300 0.018 0.000 1.122 77 I CB -0.187 37.836 38.000 0.038 0.000 1.013 77 I HN 0.677 nan 8.210 nan 0.000 0.405 78 L N -0.078 121.159 121.223 0.023 0.000 1.993 78 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 78 L C 2.046 178.936 176.870 0.033 0.000 1.074 78 L CA 1.713 56.572 54.840 0.033 0.000 0.746 78 L CB -0.945 41.130 42.059 0.026 0.000 0.896 78 L HN 0.418 nan 8.230 nan 0.000 0.435 79 S N -1.537 114.178 115.700 0.024 0.000 2.557 79 S HA 0.560 5.030 4.470 -0.000 0.000 0.223 79 S C 0.297 174.910 174.600 0.021 0.000 0.969 79 S CA -0.104 58.110 58.200 0.023 0.000 0.927 79 S CB 0.421 63.632 63.200 0.019 0.000 0.806 79 S HN 0.295 nan 8.310 nan 0.000 0.489 80 A N 0.670 123.503 122.820 0.021 0.000 2.574 80 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 80 A C -0.467 177.130 177.584 0.022 0.000 1.062 80 A CA -0.555 51.493 52.037 0.019 0.000 0.686 80 A CB 1.269 20.276 19.000 0.013 0.000 1.285 80 A HN 0.213 nan 8.150 nan 0.000 0.403 81 S N 0.375 116.089 115.700 0.023 0.000 2.545 81 S HA 0.543 5.013 4.470 -0.000 0.000 0.275 81 S C -0.071 174.540 174.600 0.019 0.000 1.299 81 S CA -0.180 58.036 58.200 0.027 0.000 1.048 81 S CB -0.112 63.106 63.200 0.030 0.000 0.938 81 S HN 1.191 nan 8.310 nan 0.000 0.496 82 N N 2.421 121.131 118.700 0.017 0.000 2.229 82 N HA 0.658 5.397 4.740 -0.000 0.000 0.298 82 N C 0.367 175.881 175.510 0.007 0.000 1.114 82 N CA -0.446 52.607 53.050 0.005 0.000 0.776 82 N CB 1.344 39.825 38.487 -0.011 0.000 1.501 82 N HN 0.396 nan 8.380 nan 0.000 0.474 83 A N 1.715 124.538 122.820 0.005 0.000 1.855 83 A HA 0.099 4.419 4.320 -0.000 0.000 0.215 83 A C -0.560 177.026 177.584 0.004 0.000 1.191 83 A CA 1.416 53.460 52.037 0.011 0.000 0.613 83 A CB -1.700 17.306 19.000 0.010 0.000 0.829 83 A HN 0.752 nan 8.150 nan 0.000 0.442 84 P HA -0.229 nan 4.420 nan 0.000 0.216 84 P C 1.723 178.986 177.300 -0.061 0.000 1.157 84 P CA 2.326 65.404 63.100 -0.036 0.000 0.880 84 P CB -0.136 31.532 31.700 -0.053 0.000 0.791 85 A N -0.980 121.785 122.820 -0.092 0.000 1.898 85 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 85 A C 2.350 179.996 177.584 0.104 0.000 1.181 85 A CA 1.748 53.703 52.037 -0.137 0.000 0.620 85 A CB -1.602 17.300 19.000 -0.164 0.000 0.819 85 A HN 0.037 nan 8.150 nan 0.000 0.442 86 V N -0.066 119.905 119.914 0.094 0.000 2.343 86 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 86 V C 2.739 178.898 176.094 0.109 0.000 1.051 86 V CA 2.458 64.829 62.300 0.118 0.000 1.036 86 V CB -1.306 30.562 31.823 0.075 0.000 0.654 86 V HN 0.610 nan 8.190 nan 0.000 0.451 87 T N 0.633 115.232 114.554 0.074 0.000 2.746 87 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 87 T C 1.885 176.640 174.700 0.092 0.000 1.039 87 T CA 1.799 63.939 62.100 0.067 0.000 1.142 87 T CB -0.338 68.554 68.868 0.041 0.000 0.866 87 T HN 0.318 nan 8.240 nan 0.000 0.444 88 L N 1.426 122.713 121.223 0.107 0.000 2.093 88 L HA 0.187 4.527 4.340 -0.000 0.000 0.208 88 L C 2.556 179.588 176.870 0.270 0.000 1.085 88 L CA 1.653 56.588 54.840 0.157 0.000 0.755 88 L CB -1.033 41.081 42.059 0.093 0.000 0.904 88 L HN 0.204 nan 8.230 nan 0.000 0.435 89 A N -0.575 122.449 122.820 0.340 0.000 1.902 89 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 89 A C 2.144 179.799 177.584 0.119 0.000 1.181 89 A CA 1.826 54.001 52.037 0.231 0.000 0.623 89 A CB -0.572 18.539 19.000 0.186 0.000 0.818 89 A HN 0.619 nan 8.150 nan 0.000 0.443 90 E N -0.989 119.279 120.200 0.114 0.000 2.072 90 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 90 E C 2.244 178.899 176.600 0.092 0.000 0.982 90 E CA 1.132 57.585 56.400 0.089 0.000 0.803 90 E CB -0.125 29.621 29.700 0.076 0.000 0.755 90 E HN 0.509 nan 8.360 nan 0.000 0.453 91 R N 1.119 121.677 120.500 0.097 0.000 2.096 91 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 91 R C 2.031 178.397 176.300 0.109 0.000 1.127 91 R CA 1.095 57.250 56.100 0.092 0.000 0.968 91 R CB -0.311 30.038 30.300 0.082 0.000 0.861 91 R HN 0.135 nan 8.270 nan 0.000 0.440 92 L N -0.232 121.065 121.223 0.124 0.000 2.093 92 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 92 L C 2.280 179.229 176.870 0.131 0.000 1.085 92 L CA 0.984 55.902 54.840 0.131 0.000 0.755 92 L CB -0.403 41.723 42.059 0.111 0.000 0.904 92 L HN 0.213 nan 8.230 nan 0.000 0.435 93 L N -0.374 120.912 121.223 0.105 0.000 2.017 93 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 93 L C 2.922 179.882 176.870 0.150 0.000 1.073 93 L CA 1.282 56.194 54.840 0.120 0.000 0.745 93 L CB -0.775 41.342 42.059 0.097 0.000 0.894 93 L HN 0.277 nan 8.230 nan 0.000 0.432 94 A N 0.158 123.051 122.820 0.122 0.000 1.917 94 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 94 A C 2.387 180.050 177.584 0.131 0.000 1.182 94 A CA 2.302 54.404 52.037 0.107 0.000 0.633 94 A CB -0.748 18.302 19.000 0.084 0.000 0.819 94 A HN 0.559 nan 8.150 nan 0.000 0.448 95 S N -2.557 113.251 115.700 0.180 0.000 2.603 95 S HA 0.206 4.676 4.470 -0.000 0.000 0.220 95 S C 0.132 174.955 174.600 0.373 0.000 0.967 95 S CA -0.161 58.179 58.200 0.235 0.000 0.920 95 S CB -0.356 62.983 63.200 0.233 0.000 0.773 95 S HN 0.330 nan 8.310 nan 0.000 0.529 96 F N 3.661 123.668 119.950 0.095 0.000 2.402 96 F HA 0.653 5.175 4.527 -0.009 0.000 0.355 96 F C -2.838 172.932 175.800 -0.051 0.000 1.123 96 F CA -2.294 55.705 58.000 -0.002 0.000 1.021 96 F CB 1.966 40.892 39.000 -0.123 0.000 1.160 96 F HN -0.005 nan 8.300 nan 0.000 0.451 97 P HA 0.666 nan 4.420 nan 0.000 0.275 97 P C -0.690 176.239 177.300 -0.619 0.000 1.502 97 P CA -0.243 62.595 63.100 -0.437 0.000 1.147 97 P CB 1.631 33.213 31.700 -0.198 0.000 1.161 98 G N 2.605 111.064 108.800 -0.569 0.000 2.344 98 G HA2 0.480 4.440 3.960 -0.000 0.000 0.282 98 G HA3 0.480 4.440 3.960 -0.000 0.000 0.282 98 G C -2.076 172.811 174.900 -0.021 0.000 1.281 98 G CA -0.754 44.195 45.100 -0.250 0.000 0.877 98 G HN 0.485 nan 8.290 nan 0.000 0.494 99 E N -1.315 118.961 120.200 0.126 0.000 2.340 99 E HA 0.703 5.053 4.350 -0.000 0.000 0.273 99 E C -0.060 176.626 176.600 0.144 0.000 0.891 99 E CA -0.571 55.934 56.400 0.175 0.000 0.757 99 E CB 1.753 31.492 29.700 0.066 0.000 1.231 99 E HN 2.238 nan 8.360 nan 0.000 0.439 100 G N 1.310 110.183 108.800 0.122 0.000 2.328 100 G HA2 0.267 4.227 3.960 -0.000 0.000 0.244 100 G HA3 0.267 4.227 3.960 -0.000 0.000 0.244 100 G C 0.132 175.116 174.900 0.140 0.000 1.317 100 G CA 0.134 45.413 45.100 0.298 0.000 1.261 100 G HN 1.610 nan 8.290 nan 0.000 0.648 101 T N -1.006 113.592 114.554 0.074 0.000 3.549 101 T HA -0.265 4.085 4.350 -0.000 0.000 0.398 101 T C 0.172 174.818 174.700 -0.090 0.000 0.766 101 T CA 2.394 64.493 62.100 -0.002 0.000 2.007 101 T CB -1.862 66.973 68.868 -0.055 0.000 1.727 101 T HN 1.605 nan 8.240 nan 0.000 0.693 102 H N 0.523 119.620 119.070 0.045 0.000 2.851 102 H HA 0.791 5.349 4.556 0.004 0.000 0.372 102 H C -0.113 175.221 175.328 0.009 0.000 1.158 102 H CA -0.923 55.148 56.048 0.039 0.000 1.159 102 H CB 1.659 31.484 29.762 0.106 0.000 1.757 102 H HN 0.349 nan 8.280 nan 0.000 0.546 103 K N 1.689 122.145 120.400 0.093 0.000 2.444 103 K HA 0.462 4.782 4.320 -0.000 0.000 0.252 103 K C -1.037 175.548 176.600 -0.024 0.000 0.993 103 K CA -1.046 55.258 56.287 0.029 0.000 0.847 103 K CB 2.437 34.944 32.500 0.013 0.000 1.340 103 K HN 0.267 nan 8.250 nan 0.000 0.446 104 I N 0.938 121.452 120.570 -0.095 0.000 2.437 104 I HA 0.289 4.459 4.170 -0.000 0.000 0.298 104 I C -0.621 175.375 176.117 -0.202 0.000 0.984 104 I CA -0.619 60.532 61.300 -0.249 0.000 1.214 104 I CB 0.991 38.676 38.000 -0.524 0.000 1.365 104 I HN 0.677 nan 8.210 nan 0.000 0.469 105 W N 6.913 127.982 121.300 -0.385 0.000 2.587 105 W HA 0.585 5.241 4.660 -0.007 0.000 0.324 105 W C -1.675 174.617 176.519 -0.379 0.000 1.040 105 W CA -0.595 56.581 57.345 -0.282 0.000 1.222 105 W CB 1.281 30.665 29.460 -0.128 0.000 1.381 105 W HN 0.225 nan 8.180 nan 0.000 0.483 106 F N 4.649 124.163 119.950 -0.727 0.000 2.443 106 F HA 0.738 5.267 4.527 0.004 0.000 0.335 106 F C 0.962 175.743 175.800 -1.698 0.000 1.104 106 F CA -0.376 57.154 58.000 -0.784 0.000 1.013 106 F CB 1.780 40.495 39.000 -0.474 0.000 1.136 106 F HN 0.475 nan 8.300 nan 0.000 0.470 107 G N 0.587 108.851 108.800 -0.893 0.000 3.176 107 G HA2 0.260 4.220 3.960 -0.000 0.000 0.272 107 G HA3 0.260 4.220 3.960 -0.000 0.000 0.272 107 G C -0.142 174.537 174.900 -0.368 0.000 1.349 107 G CA -0.372 44.053 45.100 -1.125 0.000 0.953 107 G HN 0.623 nan 8.290 nan 0.000 0.559 108 H N -0.885 118.256 119.070 0.119 0.000 2.516 108 H HA 0.239 4.796 4.556 0.002 0.000 0.284 108 H C 1.147 176.565 175.328 0.150 0.000 0.999 108 H CA 1.149 57.297 56.048 0.166 0.000 1.303 108 H CB 0.606 30.489 29.762 0.202 0.000 1.452 108 H HN 0.483 nan 8.280 nan 0.000 0.530 109 S N -1.641 114.237 115.700 0.297 0.000 2.638 109 S HA 0.450 4.920 4.470 -0.000 0.000 0.274 109 S C 1.257 176.001 174.600 0.240 0.000 1.157 109 S CA -0.355 57.989 58.200 0.239 0.000 0.826 109 S CB 1.586 64.914 63.200 0.214 0.000 1.139 109 S HN 0.127 nan 8.310 nan 0.000 0.474 110 G N 0.837 109.763 108.800 0.210 0.000 2.443 110 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.219 110 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.219 110 G C 1.187 176.203 174.900 0.193 0.000 1.131 110 G CA 0.969 46.199 45.100 0.215 0.000 0.775 110 G HN 0.649 nan 8.290 nan 0.000 0.547 111 S N 1.205 117.001 115.700 0.159 0.000 2.345 111 S HA -0.116 4.354 4.470 -0.000 0.000 0.220 111 S C 2.180 176.850 174.600 0.116 0.000 1.031 111 S CA 1.547 59.800 58.200 0.089 0.000 0.996 111 S CB -0.261 62.973 63.200 0.058 0.000 0.882 111 S HN 0.725 nan 8.310 nan 0.000 0.445 112 D N 1.772 122.291 120.400 0.199 0.000 2.269 112 D HA 0.056 4.696 4.640 -0.000 0.000 0.208 112 D C 1.669 178.093 176.300 0.208 0.000 0.963 112 D CA 1.074 55.231 54.000 0.262 0.000 0.864 112 D CB -0.402 40.647 40.800 0.415 0.000 0.936 112 D HN 0.357 nan 8.370 nan 0.000 0.505 113 A N 0.734 123.692 122.820 0.231 0.000 1.898 113 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 113 A C 2.149 179.744 177.584 0.019 0.000 1.183 113 A CA 0.962 53.059 52.037 0.101 0.000 0.622 113 A CB -0.517 18.666 19.000 0.304 0.000 0.824 113 A HN 0.153 nan 8.150 nan 0.000 0.444 114 N N -0.246 118.550 118.700 0.159 0.000 2.166 114 N HA -0.177 4.562 4.740 -0.000 0.000 0.186 114 N C 1.778 177.469 175.510 0.303 0.000 1.019 114 N CA 1.501 54.722 53.050 0.284 0.000 0.856 114 N CB -0.192 38.458 38.487 0.272 0.000 0.993 114 N HN 0.766 nan 8.380 nan 0.000 0.426 115 E N 0.977 121.276 120.200 0.165 0.000 2.047 115 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 115 E C 1.916 178.563 176.600 0.078 0.000 0.987 115 E CA 0.890 57.398 56.400 0.180 0.000 0.799 115 E CB 0.019 29.773 29.700 0.089 0.000 0.752 115 E HN 0.262 nan 8.360 nan 0.000 0.449 116 A N 1.483 124.195 122.820 -0.179 0.000 1.883 116 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 116 A C 2.446 179.851 177.584 -0.298 0.000 1.186 116 A CA 2.048 53.808 52.037 -0.462 0.000 0.624 116 A CB -0.959 17.142 19.000 -1.498 0.000 0.822 116 A HN 0.432 nan 8.150 nan 0.000 0.444 117 A N -1.332 121.373 122.820 -0.192 0.000 1.892 117 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 117 A C 2.184 179.812 177.584 0.073 0.000 1.188 117 A CA 1.948 53.956 52.037 -0.048 0.000 0.631 117 A CB -0.958 18.085 19.000 0.071 0.000 0.822 117 A HN 0.766 nan 8.150 nan 0.000 0.447 118 Y N 0.569 120.910 120.300 0.068 0.000 2.114 118 Y HA -0.207 4.344 4.550 0.001 0.000 0.284 118 Y C 2.544 178.444 175.900 -0.000 0.000 1.143 118 Y CA 2.110 60.210 58.100 0.001 0.000 1.135 118 Y CB -0.490 37.877 38.460 -0.154 0.000 0.980 118 Y HN 0.270 nan 8.280 nan 0.000 0.499 119 R N -0.166 120.292 120.500 -0.069 0.000 2.096 119 R HA -0.150 4.189 4.340 -0.000 0.000 0.235 119 R C 2.491 178.792 176.300 0.002 0.000 1.127 119 R CA 1.167 57.234 56.100 -0.055 0.000 0.968 119 R CB -0.672 29.706 30.300 0.131 0.000 0.861 119 R HN 0.446 nan 8.270 nan 0.000 0.440 120 A N 1.163 123.973 122.820 -0.016 0.000 1.933 120 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 120 A C 2.128 179.609 177.584 -0.171 0.000 1.175 120 A CA 1.203 53.175 52.037 -0.108 0.000 0.628 120 A CB -0.417 18.513 19.000 -0.118 0.000 0.814 120 A HN 0.176 nan 8.150 nan 0.000 0.444 121 I N -0.640 119.826 120.570 -0.173 0.000 2.163 121 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 121 I C 2.364 178.357 176.117 -0.206 0.000 1.081 121 I CA 1.143 62.339 61.300 -0.174 0.000 1.353 121 I CB -0.344 37.573 38.000 -0.138 0.000 1.054 121 I HN 0.147 nan 8.210 nan 0.000 0.407 122 V N 0.812 120.543 119.914 -0.305 0.000 2.332 122 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 122 V C 2.564 178.543 176.094 -0.193 0.000 1.055 122 V CA 1.689 63.822 62.300 -0.280 0.000 1.038 122 V CB -0.711 30.862 31.823 -0.416 0.000 0.651 122 V HN 0.362 nan 8.190 nan 0.000 0.450 123 K N 0.100 120.376 120.400 -0.206 0.000 2.057 123 K HA -0.084 4.235 4.320 -0.000 0.000 0.206 123 K C 2.186 178.655 176.600 -0.218 0.000 1.050 123 K CA 1.636 57.779 56.287 -0.241 0.000 0.935 123 K CB -0.371 31.851 32.500 -0.464 0.000 0.715 123 K HN 0.463 nan 8.250 nan 0.000 0.439 124 A N 0.244 122.941 122.820 -0.205 0.000 2.016 124 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 124 A C 1.941 179.449 177.584 -0.128 0.000 1.162 124 A CA 2.074 54.012 52.037 -0.166 0.000 0.662 124 A CB -0.283 18.624 19.000 -0.155 0.000 0.812 124 A HN 0.524 nan 8.150 nan 0.000 0.450 125 T N -6.552 107.928 114.554 -0.122 0.000 2.955 125 T HA 0.423 4.773 4.350 -0.000 0.000 0.251 125 T C 1.501 176.151 174.700 -0.083 0.000 1.002 125 T CA 1.127 63.170 62.100 -0.096 0.000 0.970 125 T CB 0.314 69.128 68.868 -0.090 0.000 1.091 125 T HN 1.635 nan 8.240 nan 0.000 0.495 126 G N 2.160 110.904 108.800 -0.092 0.000 2.179 126 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.260 126 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.260 126 G C 0.135 174.999 174.900 -0.059 0.000 0.977 126 G CA 0.016 45.073 45.100 -0.071 0.000 0.641 126 G HN 0.710 nan 8.290 nan 0.000 0.533 127 R N 0.888 121.348 120.500 -0.066 0.000 2.198 127 R HA 0.510 4.850 4.340 -0.000 0.000 0.339 127 R C 1.455 177.730 176.300 -0.041 0.000 1.020 127 R CA 0.336 56.411 56.100 -0.043 0.000 0.864 127 R CB 1.157 31.435 30.300 -0.037 0.000 1.105 127 R HN 0.354 nan 8.270 nan 0.000 0.463 128 S N 1.151 116.846 115.700 -0.008 0.000 2.524 128 S HA 0.045 4.515 4.470 -0.000 0.000 0.216 128 S C 1.094 175.783 174.600 0.147 0.000 0.987 128 S CA -0.172 58.051 58.200 0.039 0.000 0.909 128 S CB 0.414 63.641 63.200 0.045 0.000 0.781 128 S HN 0.605 nan 8.310 nan 0.000 0.521 129 G N 1.120 109.972 108.800 0.086 0.000 2.491 129 G HA2 0.474 4.434 3.960 -0.000 0.000 0.238 129 G HA3 0.474 4.434 3.960 -0.000 0.000 0.238 129 G C -0.810 174.145 174.900 0.093 0.000 1.277 129 G CA -0.169 44.977 45.100 0.077 0.000 0.851 129 G HN 0.483 nan 8.290 nan 0.000 0.573 130 V N 2.704 122.652 119.914 0.058 0.000 2.733 130 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 130 V C -0.147 175.960 176.094 0.021 0.000 1.084 130 V CA -0.670 61.651 62.300 0.034 0.000 0.905 130 V CB 1.766 33.527 31.823 -0.104 0.000 1.010 130 V HN 0.677 nan 8.190 nan 0.000 0.424 131 I N 3.520 124.112 120.570 0.036 0.000 2.385 131 I HA 0.831 5.000 4.170 -0.000 0.000 0.294 131 I C 0.449 176.598 176.117 0.053 0.000 0.988 131 I CA -0.008 61.306 61.300 0.023 0.000 1.265 131 I CB 1.582 39.605 38.000 0.037 0.000 1.388 131 I HN 0.828 nan 8.210 nan 0.000 0.480 132 A N 5.584 128.398 122.820 -0.011 0.000 2.593 132 A HA 0.788 5.108 4.320 -0.000 0.000 0.290 132 A C -1.387 176.131 177.584 -0.110 0.000 1.126 132 A CA -0.518 51.555 52.037 0.059 0.000 0.695 132 A CB 0.970 20.106 19.000 0.226 0.000 1.290 132 A HN 0.487 nan 8.150 nan 0.000 0.414 133 F N 1.085 121.160 119.950 0.209 0.000 2.404 133 F HA 0.557 5.084 4.527 -0.001 0.000 0.339 133 F C 1.189 177.031 175.800 0.070 0.000 1.105 133 F CA 0.019 58.103 58.000 0.140 0.000 1.087 133 F CB 1.725 40.866 39.000 0.236 0.000 1.143 133 F HN 0.763 nan 8.300 nan 0.000 0.491 134 A N 2.316 125.291 122.820 0.258 0.000 2.567 134 A HA 0.371 4.691 4.320 -0.000 0.000 0.240 134 A C 1.185 178.817 177.584 0.081 0.000 1.053 134 A CA 0.674 52.789 52.037 0.129 0.000 0.755 134 A CB -0.841 18.216 19.000 0.095 0.000 0.978 134 A HN 1.578 nan 8.150 nan 0.000 0.507 135 G N 0.581 109.392 108.800 0.018 0.000 2.136 135 G HA2 0.170 4.130 3.960 -0.000 0.000 0.242 135 G HA3 0.170 4.130 3.960 -0.000 0.000 0.242 135 G C 0.469 175.318 174.900 -0.085 0.000 0.989 135 G CA 0.427 45.501 45.100 -0.043 0.000 0.682 135 G HN 2.219 nan 8.290 nan 0.000 0.522 136 A N -0.338 122.437 122.820 -0.075 0.000 2.363 136 A HA 0.645 4.965 4.320 -0.000 0.000 0.270 136 A C -0.413 177.011 177.584 -0.267 0.000 1.121 136 A CA -0.234 51.692 52.037 -0.185 0.000 0.800 136 A CB 0.599 19.511 19.000 -0.147 0.000 1.052 136 A HN 1.228 nan 8.150 nan 0.000 0.493 137 Y N 2.723 122.777 120.300 -0.411 0.000 2.478 137 Y HA 0.377 4.926 4.550 -0.001 0.000 0.329 137 Y C 0.597 176.281 175.900 -0.360 0.000 0.967 137 Y CA -0.248 57.662 58.100 -0.316 0.000 1.255 137 Y CB 0.634 38.989 38.460 -0.174 0.000 1.103 137 Y HN 0.852 nan 8.280 nan 0.000 0.497 138 H N 2.988 121.847 119.070 -0.352 0.000 2.740 138 H HA 0.471 5.028 4.556 0.001 0.000 0.265 138 H C 0.824 175.934 175.328 -0.364 0.000 0.978 138 H CA 0.721 56.622 56.048 -0.244 0.000 1.198 138 H CB 1.188 30.760 29.762 -0.316 0.000 1.467 138 H HN 0.768 nan 8.280 nan 0.000 0.511 139 G N -0.882 107.531 108.800 -0.645 0.000 2.352 139 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.302 139 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.302 139 G C -0.800 173.789 174.900 -0.519 0.000 1.370 139 G CA -0.131 44.687 45.100 -0.470 0.000 0.918 139 G HN 0.159 nan 8.290 nan 0.000 0.610 140 C N 1.327 120.481 119.300 -0.244 0.000 2.994 140 C HA 0.649 5.108 4.460 -0.000 0.000 0.284 140 C C 1.422 176.339 174.990 -0.122 0.000 1.404 140 C CA 0.812 59.728 59.018 -0.170 0.000 1.775 140 C CB -2.046 25.663 27.740 -0.050 0.000 2.458 140 C HN 1.080 nan 8.230 nan 0.000 0.593 141 T N -2.329 112.148 114.554 -0.128 0.000 2.918 141 T HA 0.388 4.738 4.350 -0.000 0.000 0.283 141 T C 1.283 175.908 174.700 -0.126 0.000 1.001 141 T CA -0.339 61.709 62.100 -0.088 0.000 1.041 141 T CB 1.402 70.248 68.868 -0.036 0.000 1.028 141 T HN -0.033 nan 8.240 nan 0.000 0.511 142 V N 2.271 122.133 119.914 -0.086 0.000 2.380 142 V HA -0.084 4.036 4.120 -0.000 0.000 0.251 142 V C 2.811 178.844 176.094 -0.101 0.000 1.063 142 V CA 2.450 64.698 62.300 -0.088 0.000 1.055 142 V CB -1.518 30.276 31.823 -0.047 0.000 0.657 142 V HN 1.117 nan 8.190 nan 0.000 0.455 143 G N 0.057 108.815 108.800 -0.070 0.000 2.404 143 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.215 143 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.215 143 G C 1.793 176.591 174.900 -0.170 0.000 1.174 143 G CA 1.203 46.288 45.100 -0.025 0.000 0.780 143 G HN 0.661 nan 8.290 nan 0.000 0.537 144 S N -0.449 115.062 115.700 -0.315 0.000 2.501 144 S HA 0.179 4.649 4.470 -0.000 0.000 0.220 144 S C 2.243 176.275 174.600 -0.947 0.000 0.997 144 S CA 0.450 58.219 58.200 -0.720 0.000 0.919 144 S CB -0.082 62.882 63.200 -0.393 0.000 0.778 144 S HN 0.259 nan 8.310 nan 0.000 0.523 145 M N 1.365 120.619 119.600 -0.576 0.000 2.394 145 M HA 0.169 4.649 4.480 -0.000 0.000 0.264 145 M C 2.459 178.465 176.300 -0.491 0.000 1.073 145 M CA 0.950 55.945 55.300 -0.507 0.000 1.111 145 M CB -0.431 31.972 32.600 -0.329 0.000 1.401 145 M HN 0.552 nan 8.290 nan 0.000 0.448 146 A N 0.509 123.061 122.820 -0.447 0.000 2.024 146 A HA -0.169 4.150 4.320 -0.000 0.000 0.220 146 A C 1.474 178.919 177.584 -0.231 0.000 1.164 146 A CA 1.510 53.389 52.037 -0.263 0.000 0.643 146 A CB -0.795 18.138 19.000 -0.111 0.000 0.806 146 A HN 0.701 nan 8.150 nan 0.000 0.451 147 F N -2.915 116.821 119.950 -0.356 0.000 2.746 147 F HA 0.507 5.035 4.527 0.001 0.000 0.320 147 F C 0.578 176.264 175.800 -0.190 0.000 1.097 147 F CA -0.609 57.186 58.000 -0.342 0.000 1.195 147 F CB -0.531 38.128 39.000 -0.569 0.000 1.056 147 F HN -0.122 nan 8.300 nan 0.000 0.562 148 S N 0.962 116.417 115.700 -0.408 0.000 2.608 148 S HA 0.516 4.986 4.470 -0.000 0.000 0.261 148 S C 0.834 175.309 174.600 -0.209 0.000 1.314 148 S CA -0.130 57.896 58.200 -0.290 0.000 0.992 148 S CB 0.553 63.472 63.200 -0.469 0.000 0.935 148 S HN 0.510 nan 8.310 nan 0.000 0.564 149 G N -0.483 108.220 108.800 -0.162 0.000 2.606 149 G HA2 0.345 4.305 3.960 -0.000 0.000 0.252 149 G HA3 0.345 4.305 3.960 -0.000 0.000 0.252 149 G C -0.444 174.383 174.900 -0.122 0.000 1.206 149 G CA -0.210 44.836 45.100 -0.089 0.000 0.861 149 G HN 0.708 nan 8.290 nan 0.000 0.561 160 D N 0.351 120.788 120.400 0.062 0.000 2.210 160 D HA 0.533 5.173 4.640 -0.000 0.000 0.249 160 D C 1.174 177.510 176.300 0.060 0.000 1.078 160 D CA 1.495 55.528 54.000 0.054 0.000 0.875 160 D CB 1.391 42.222 40.800 0.050 0.000 1.175 160 D HN 1.845 nan 8.370 nan 0.000 0.440 161 G N 2.613 111.440 108.800 0.045 0.000 2.160 161 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 161 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 161 G C 0.174 175.096 174.900 0.037 0.000 1.022 161 G CA -0.108 45.016 45.100 0.041 0.000 0.741 161 G HN 0.477 nan 8.290 nan 0.000 0.508 162 L N 0.570 121.812 121.223 0.031 0.000 2.290 162 L HA 0.661 5.001 4.340 -0.000 0.000 0.284 162 L C 0.227 177.111 176.870 0.023 0.000 1.078 162 L CA -0.593 54.260 54.840 0.022 0.000 0.815 162 L CB 0.678 42.749 42.059 0.021 0.000 1.162 162 L HN 0.164 nan 8.230 nan 0.000 0.435 163 I N 6.145 126.724 120.570 0.014 0.000 2.382 163 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 163 I C -0.508 175.609 176.117 0.000 0.000 1.002 163 I CA -0.394 60.910 61.300 0.007 0.000 1.135 163 I CB 1.766 39.762 38.000 -0.006 0.000 1.288 163 I HN 0.433 nan 8.210 nan 0.000 0.448 164 L N 7.188 128.418 121.223 0.012 0.000 2.282 164 L HA 0.557 4.897 4.340 -0.000 0.000 0.288 164 L C -0.570 176.302 176.870 0.003 0.000 1.033 164 L CA -0.552 54.297 54.840 0.015 0.000 0.807 164 L CB 1.428 43.516 42.059 0.048 0.000 1.209 164 L HN 0.439 nan 8.230 nan 0.000 0.423 165 L N 4.762 125.982 121.223 -0.005 0.000 2.334 165 L HA 0.531 4.871 4.340 -0.000 0.000 0.273 165 L C -2.228 174.756 176.870 0.190 0.000 1.013 165 L CA -2.039 52.827 54.840 0.044 0.000 0.816 165 L CB 2.124 44.196 42.059 0.021 0.000 1.278 165 L HN 0.303 nan 8.230 nan 0.000 0.431 166 P HA -0.072 nan 4.420 nan 0.000 0.266 166 P C -1.165 176.199 177.300 0.107 0.000 1.195 166 P CA 0.074 63.155 63.100 -0.031 0.000 0.768 166 P CB 0.198 31.644 31.700 -0.423 0.000 0.838 167 Y N 5.659 125.888 120.300 -0.118 0.000 2.425 167 Y HA 0.164 4.713 4.550 -0.001 0.000 0.331 167 Y C -1.456 174.176 175.900 -0.447 0.000 1.157 167 Y CA -1.969 55.855 58.100 -0.460 0.000 1.372 167 Y CB 0.228 38.450 38.460 -0.398 0.000 1.253 167 Y HN 0.347 nan 8.280 nan 0.000 0.536 168 P HA -0.034 nan 4.420 nan 0.000 0.259 168 P C -1.026 175.987 177.300 -0.479 0.000 1.635 168 P CA 0.223 62.761 63.100 -0.938 0.000 1.199 168 P CB -0.036 30.634 31.700 -1.717 0.000 1.850 169 D N 4.259 124.555 120.400 -0.172 0.000 2.396 169 D HA 0.180 4.819 4.640 -0.000 0.000 0.225 169 D C -1.499 174.810 176.300 0.015 0.000 1.121 169 D CA -2.565 51.434 54.000 -0.001 0.000 0.853 169 D CB 1.247 42.094 40.800 0.078 0.000 1.043 169 D HN 0.030 nan 8.370 nan 0.000 0.500 170 P HA -0.178 nan 4.420 nan 0.000 0.216 170 P C 1.105 178.467 177.300 0.103 0.000 1.153 170 P CA 0.933 64.063 63.100 0.050 0.000 0.858 170 P CB 0.007 31.745 31.700 0.062 0.000 0.789 171 Y N 0.632 120.935 120.300 0.004 0.000 2.373 171 Y HA -0.022 4.528 4.550 -0.000 0.000 0.293 171 Y C 0.677 176.584 175.900 0.012 0.000 1.129 171 Y CA 1.007 59.113 58.100 0.010 0.000 1.226 171 Y CB 0.118 38.587 38.460 0.015 0.000 1.000 171 Y HN -0.154 nan 8.280 nan 0.000 0.549 172 R N 0.487 121.005 120.500 0.030 0.000 2.644 172 R HA 0.285 4.625 4.340 -0.000 0.000 0.271 172 R C -2.955 173.354 176.300 0.016 0.000 1.687 172 R CA -1.833 54.250 56.100 -0.028 0.000 1.655 172 R CB 0.529 30.842 30.300 0.022 0.000 1.285 172 R HN 0.027 nan 8.270 nan 0.000 0.643 173 P HA -0.085 nan 4.420 nan 0.000 0.271 173 P C -0.710 176.632 177.300 0.070 0.000 1.220 173 P CA -0.210 62.905 63.100 0.025 0.000 0.768 173 P CB 0.334 32.033 31.700 -0.001 0.000 0.848 174 Y N 4.196 124.482 120.300 -0.024 0.000 2.805 174 Y HA -0.130 4.420 4.550 0.000 0.000 0.331 174 Y C 1.522 177.425 175.900 0.006 0.000 1.241 174 Y CA -0.037 58.062 58.100 -0.001 0.000 1.546 174 Y CB 0.165 38.632 38.460 0.012 0.000 1.248 174 Y HN 0.448 nan 8.280 nan 0.000 0.559 175 R N 3.614 123.845 120.500 -0.449 0.000 3.875 175 R HA -0.350 3.989 4.340 -0.000 0.000 0.321 175 R C 0.308 176.477 176.300 -0.218 0.000 1.196 175 R CA 0.995 56.806 56.100 -0.481 0.000 0.868 175 R CB -1.786 28.025 30.300 -0.816 0.000 1.333 175 R HN 0.944 nan 8.270 nan 0.000 0.522 176 N N 0.022 118.648 118.700 -0.123 0.000 2.708 176 N HA -0.235 4.504 4.740 -0.000 0.000 0.249 176 N C -1.170 174.307 175.510 -0.055 0.000 1.097 176 N CA 1.697 54.704 53.050 -0.071 0.000 0.710 176 N CB -0.603 37.844 38.487 -0.066 0.000 1.032 176 N HN 0.602 nan 8.380 nan 0.000 0.551 177 D N -0.569 119.801 120.400 -0.050 0.000 2.443 177 D HA 0.387 5.027 4.640 -0.000 0.000 0.221 177 D C -1.585 174.723 176.300 0.013 0.000 1.097 177 D CA -2.072 51.920 54.000 -0.014 0.000 0.865 177 D CB 1.042 41.837 40.800 -0.008 0.000 1.034 177 D HN 0.040 nan 8.370 nan 0.000 0.511 178 P HA -0.082 nan 4.420 nan 0.000 0.223 178 P C 1.228 178.547 177.300 0.031 0.000 1.151 178 P CA 0.981 64.090 63.100 0.015 0.000 0.787 178 P CB 0.071 31.778 31.700 0.013 0.000 0.788 179 T N -4.839 109.746 114.554 0.052 0.000 2.904 179 T HA 0.140 4.489 4.350 -0.000 0.000 0.267 179 T C 1.765 176.548 174.700 0.137 0.000 1.059 179 T CA 1.172 63.322 62.100 0.085 0.000 1.137 179 T CB -1.041 67.879 68.868 0.087 0.000 0.879 179 T HN 0.228 nan 8.240 nan 0.000 0.467 180 G N 1.053 109.934 108.800 0.134 0.000 2.194 180 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.236 180 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.236 180 G C 0.606 175.703 174.900 0.328 0.000 0.987 180 G CA 0.376 45.606 45.100 0.217 0.000 0.635 180 G HN 0.472 nan 8.290 nan 0.000 0.520 181 D N 0.714 121.245 120.400 0.218 0.000 2.228 181 D HA -0.025 4.615 4.640 -0.000 0.000 0.203 181 D C 2.575 178.984 176.300 0.182 0.000 0.988 181 D CA 1.692 55.795 54.000 0.172 0.000 0.864 181 D CB -0.396 40.467 40.800 0.105 0.000 0.928 181 D HN 0.763 nan 8.370 nan 0.000 0.469 182 A N 0.272 123.209 122.820 0.195 0.000 1.929 182 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 182 A C 2.346 180.149 177.584 0.365 0.000 1.176 182 A CA 0.579 52.745 52.037 0.215 0.000 0.628 182 A CB -0.454 18.606 19.000 0.100 0.000 0.816 182 A HN 0.200 nan 8.150 nan 0.000 0.444 183 I N -0.257 120.571 120.570 0.429 0.000 2.252 183 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 183 I C 2.231 178.551 176.117 0.338 0.000 1.102 183 I CA 1.030 62.563 61.300 0.390 0.000 1.385 183 I CB -0.317 37.922 38.000 0.398 0.000 1.064 183 I HN 0.266 nan 8.210 nan 0.000 0.414 184 L N -0.071 121.340 121.223 0.313 0.000 2.141 184 L HA -0.158 4.181 4.340 -0.000 0.000 0.209 184 L C 2.556 179.494 176.870 0.114 0.000 1.094 184 L CA 1.277 56.213 54.840 0.160 0.000 0.763 184 L CB -0.956 41.134 42.059 0.052 0.000 0.908 184 L HN 0.248 nan 8.230 nan 0.000 0.437 185 T N 0.153 114.788 114.554 0.135 0.000 2.821 185 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 185 T C 1.948 176.714 174.700 0.109 0.000 1.046 185 T CA 0.927 63.090 62.100 0.105 0.000 1.139 185 T CB -0.081 68.851 68.868 0.106 0.000 0.871 185 T HN 0.208 nan 8.240 nan 0.000 0.454 186 L N 0.667 121.984 121.223 0.157 0.000 2.056 186 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 186 L C 2.418 179.338 176.870 0.082 0.000 1.078 186 L CA 1.176 56.099 54.840 0.138 0.000 0.749 186 L CB -0.486 41.677 42.059 0.174 0.000 0.901 186 L HN 0.305 nan 8.230 nan 0.000 0.433 187 L N -0.460 120.818 121.223 0.091 0.000 1.997 187 L HA -0.333 4.006 4.340 -0.000 0.000 0.216 187 L C 2.460 179.311 176.870 -0.031 0.000 1.074 187 L CA 2.247 57.111 54.840 0.039 0.000 0.763 187 L CB -0.433 41.665 42.059 0.065 0.000 0.890 187 L HN 0.322 nan 8.230 nan 0.000 0.434 188 T N -0.665 113.879 114.554 -0.016 0.000 2.746 188 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 188 T C 1.623 176.317 174.700 -0.010 0.000 1.039 188 T CA 1.580 63.662 62.100 -0.031 0.000 1.142 188 T CB -0.110 68.761 68.868 0.006 0.000 0.866 188 T HN 0.441 nan 8.240 nan 0.000 0.444 189 E N 0.493 120.703 120.200 0.017 0.000 2.106 189 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 189 E C 2.420 179.026 176.600 0.010 0.000 0.984 189 E CA 0.731 57.144 56.400 0.023 0.000 0.806 189 E CB 0.062 29.787 29.700 0.042 0.000 0.750 189 E HN 0.280 nan 8.360 nan 0.000 0.458 190 K N 0.310 120.711 120.400 0.002 0.000 2.103 190 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 190 K C 2.071 178.653 176.600 -0.030 0.000 1.052 190 K CA 0.569 56.852 56.287 -0.007 0.000 0.945 190 K CB -0.132 32.365 32.500 -0.004 0.000 0.722 190 K HN 0.083 nan 8.250 nan 0.000 0.443 191 L N 0.873 122.054 121.223 -0.070 0.000 2.093 191 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 191 L C 2.174 179.019 176.870 -0.042 0.000 1.085 191 L CA 1.492 56.267 54.840 -0.108 0.000 0.755 191 L CB -0.914 40.977 42.059 -0.280 0.000 0.904 191 L HN 0.087 nan 8.230 nan 0.000 0.435 192 A N -1.406 121.406 122.820 -0.014 0.000 2.218 192 A HA 0.292 4.612 4.320 -0.000 0.000 0.209 192 A C 2.076 179.667 177.584 0.012 0.000 1.168 192 A CA 0.777 52.823 52.037 0.016 0.000 0.804 192 A CB -0.493 18.524 19.000 0.027 0.000 0.834 192 A HN 0.268 nan 8.150 nan 0.000 0.482 193 A N -0.759 122.065 122.820 0.006 0.000 2.302 193 A HA 0.519 4.839 4.320 -0.000 0.000 0.219 193 A C 0.294 177.882 177.584 0.007 0.000 1.243 193 A CA 0.250 52.292 52.037 0.009 0.000 0.856 193 A CB -0.130 18.876 19.000 0.010 0.000 0.893 193 A HN 0.323 nan 8.150 nan 0.000 0.491 194 V N 0.474 120.391 119.914 0.005 0.000 2.888 194 V HA 0.335 4.455 4.120 -0.000 0.000 0.309 194 V C -2.698 173.402 176.094 0.009 0.000 1.114 194 V CA -1.866 60.437 62.300 0.005 0.000 0.940 194 V CB 2.386 34.208 31.823 -0.002 0.000 1.021 194 V HN 0.159 nan 8.190 nan 0.000 0.426 195 P HA 0.131 nan 4.420 nan 0.000 0.262 195 P C -0.336 176.973 177.300 0.015 0.000 1.182 195 P CA 0.219 63.325 63.100 0.010 0.000 0.761 195 P CB 0.347 32.051 31.700 0.006 0.000 0.795 196 A N 3.652 126.483 122.820 0.018 0.000 2.567 196 A HA 0.385 4.704 4.320 -0.000 0.000 0.240 196 A C 1.579 179.172 177.584 0.014 0.000 1.053 196 A CA 0.654 52.706 52.037 0.026 0.000 0.755 196 A CB -1.196 17.813 19.000 0.014 0.000 0.978 196 A HN 0.937 nan 8.150 nan 0.000 0.507 197 G N 1.422 110.234 108.800 0.020 0.000 2.153 197 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 197 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 197 G C 1.000 175.898 174.900 -0.003 0.000 0.994 197 G CA 1.250 46.352 45.100 0.003 0.000 0.698 197 G HN 2.105 nan 8.290 nan 0.000 0.521 198 S N -1.126 114.575 115.700 0.002 0.000 2.503 198 S HA 0.423 4.893 4.470 -0.000 0.000 0.217 198 S C 0.925 175.526 174.600 0.002 0.000 0.999 198 S CA 0.125 58.326 58.200 0.001 0.000 0.914 198 S CB 0.450 63.652 63.200 0.005 0.000 0.782 198 S HN 0.358 nan 8.310 nan 0.000 0.520 199 I N 2.740 123.308 120.570 -0.002 0.000 2.315 199 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 199 I C 1.433 177.544 176.117 -0.011 0.000 1.006 199 I CA -0.208 61.091 61.300 -0.003 0.000 1.265 199 I CB 0.589 38.575 38.000 -0.024 0.000 1.387 199 I HN 0.306 nan 8.210 nan 0.000 0.475 200 G N 4.825 113.625 108.800 -0.000 0.000 2.719 200 G HA2 0.433 4.393 3.960 -0.000 0.000 0.211 200 G HA3 0.433 4.393 3.960 -0.000 0.000 0.211 200 G C 0.435 175.314 174.900 -0.035 0.000 1.140 200 G CA 0.497 45.582 45.100 -0.025 0.000 0.790 200 G HN 0.699 nan 8.290 nan 0.000 0.529 201 A N -0.928 121.886 122.820 -0.009 0.000 2.574 201 A HA 0.804 5.124 4.320 -0.000 0.000 0.297 201 A C -1.141 176.429 177.584 -0.024 0.000 1.062 201 A CA 0.038 52.044 52.037 -0.050 0.000 0.686 201 A CB 1.262 20.241 19.000 -0.034 0.000 1.285 201 A HN 1.116 nan 8.150 nan 0.000 0.403 202 A N 1.065 123.836 122.820 -0.081 0.000 2.311 202 A HA 0.744 5.064 4.320 -0.000 0.000 0.306 202 A C -1.302 176.269 177.584 -0.021 0.000 1.189 202 A CA -0.316 51.745 52.037 0.040 0.000 0.791 202 A CB 0.176 19.233 19.000 0.095 0.000 1.172 202 A HN 0.737 nan 8.150 nan 0.000 0.481 203 F N 2.134 122.092 119.950 0.013 0.000 2.411 203 F HA 0.583 5.111 4.527 0.002 0.000 0.355 203 F C 0.002 175.957 175.800 0.259 0.000 1.117 203 F CA -0.088 57.928 58.000 0.027 0.000 1.139 203 F CB 1.447 40.297 39.000 -0.250 0.000 1.120 203 F HN 0.350 nan 8.300 nan 0.000 0.493 204 I N 3.130 123.973 120.570 0.455 0.000 2.466 204 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 204 I C -0.679 175.764 176.117 0.544 0.000 1.026 204 I CA -0.492 61.139 61.300 0.551 0.000 1.078 204 I CB 1.920 40.199 38.000 0.464 0.000 1.249 204 I HN 0.483 nan 8.210 nan 0.000 0.429 205 E N 7.714 128.232 120.200 0.530 0.000 2.146 205 E HA 0.239 4.589 4.350 -0.000 0.000 0.282 205 E C -1.679 175.148 176.600 0.378 0.000 0.989 205 E CA -1.591 55.035 56.400 0.376 0.000 0.799 205 E CB 1.166 30.983 29.700 0.194 0.000 1.088 205 E HN 0.354 nan 8.360 nan 0.000 0.397 206 P HA -0.060 nan 4.420 nan 0.000 0.221 206 P C 0.143 177.612 177.300 0.281 0.000 1.150 206 P CA 1.084 64.402 63.100 0.363 0.000 0.800 206 P CB 0.604 32.520 31.700 0.360 0.000 0.787 207 I N -0.213 120.480 120.570 0.204 0.000 2.478 207 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 207 I C 0.042 176.165 176.117 0.010 0.000 1.042 207 I CA -0.966 60.407 61.300 0.122 0.000 1.067 207 I CB 2.514 40.560 38.000 0.077 0.000 1.233 207 I HN -0.240 nan 8.210 nan 0.000 0.431 208 Q N 4.329 124.004 119.800 -0.209 0.000 2.307 208 Q HA 0.146 4.486 4.340 -0.000 0.000 0.261 208 Q C 0.950 176.816 176.000 -0.223 0.000 1.051 208 Q CA -0.139 55.406 55.803 -0.429 0.000 0.911 208 Q CB 1.085 29.136 28.738 -1.146 0.000 1.227 208 Q HN 0.870 nan 8.270 nan 0.000 0.418 209 S N 2.899 118.529 115.700 -0.116 0.000 2.335 209 S HA -0.190 4.279 4.470 -0.000 0.000 0.216 209 S C 1.336 175.879 174.600 -0.094 0.000 1.032 209 S CA 1.408 59.576 58.200 -0.055 0.000 1.000 209 S CB -0.369 62.828 63.200 -0.004 0.000 0.928 209 S HN 0.831 nan 8.310 nan 0.000 0.434 210 D N 1.829 122.147 120.400 -0.137 0.000 2.269 210 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 210 D C 1.940 178.110 176.300 -0.216 0.000 0.963 210 D CA 1.055 54.929 54.000 -0.209 0.000 0.864 210 D CB -0.792 39.902 40.800 -0.177 0.000 0.936 210 D HN 0.502 nan 8.370 nan 0.000 0.505 211 G N -0.943 107.738 108.800 -0.198 0.000 2.534 211 G HA2 0.181 4.140 3.960 -0.000 0.000 0.217 211 G HA3 0.181 4.140 3.960 -0.000 0.000 0.217 211 G C 1.027 175.850 174.900 -0.127 0.000 1.128 211 G CA 0.431 45.425 45.100 -0.178 0.000 0.784 211 G HN 0.591 nan 8.290 nan 0.000 0.542 212 G N -0.525 108.207 108.800 -0.115 0.000 2.321 212 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.177 212 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.177 212 G C 0.343 175.216 174.900 -0.046 0.000 1.072 212 G CA -0.186 44.876 45.100 -0.063 0.000 0.768 212 G HN 0.864 nan 8.290 nan 0.000 0.481 213 L N -0.420 120.774 121.223 -0.049 0.000 3.739 213 L HA -0.170 4.170 4.340 -0.000 0.000 0.442 213 L C 0.517 177.377 176.870 -0.017 0.000 1.241 213 L CA 1.119 55.947 54.840 -0.020 0.000 0.819 213 L CB -1.149 40.924 42.059 0.022 0.000 1.679 213 L HN 0.543 nan 8.230 nan 0.000 0.889 214 I N 0.430 120.968 120.570 -0.053 0.000 2.379 214 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 214 I C 0.859 177.044 176.117 0.113 0.000 1.063 214 I CA -0.353 60.959 61.300 0.020 0.000 1.351 214 I CB 1.000 39.017 38.000 0.028 0.000 1.410 214 I HN -0.079 nan 8.210 nan 0.000 0.505 215 V N 9.675 129.643 119.914 0.090 0.000 2.455 215 V HA 0.173 4.293 4.120 -0.000 0.000 0.273 215 V C -1.629 174.512 176.094 0.077 0.000 1.045 215 V CA -1.311 61.042 62.300 0.089 0.000 0.976 215 V CB 0.620 32.465 31.823 0.035 0.000 0.993 215 V HN 0.617 nan 8.190 nan 0.000 0.475 216 P HA 0.262 nan 4.420 nan 0.000 0.274 216 P C -2.688 174.566 177.300 -0.076 0.000 1.237 216 P CA -1.782 61.214 63.100 -0.174 0.000 0.793 216 P CB 0.022 31.516 31.700 -0.343 0.000 0.977 217 P HA 0.015 nan 4.420 nan 0.000 0.265 217 P C -0.156 177.193 177.300 0.081 0.000 1.193 217 P CA 0.348 63.449 63.100 0.001 0.000 0.765 217 P CB 0.025 31.723 31.700 -0.003 0.000 0.823 218 D N 1.883 122.337 120.400 0.090 0.000 2.525 218 D HA 0.169 4.808 4.640 -0.000 0.000 0.235 218 D C 1.549 177.933 176.300 0.142 0.000 1.137 218 D CA 1.871 55.941 54.000 0.116 0.000 0.868 218 D CB -0.243 40.614 40.800 0.095 0.000 1.180 218 D HN 0.696 nan 8.370 nan 0.000 0.465 219 G N 2.867 111.765 108.800 0.162 0.000 2.225 219 G HA2 -0.397 3.562 3.960 -0.000 0.000 0.254 219 G HA3 -0.397 3.562 3.960 -0.000 0.000 0.254 219 G C 0.784 175.779 174.900 0.157 0.000 0.988 219 G CA 0.385 45.574 45.100 0.148 0.000 0.625 219 G HN 0.588 nan 8.290 nan 0.000 0.527 220 F N 1.322 121.297 119.950 0.041 0.000 2.113 220 F HA 0.192 4.719 4.527 -0.000 0.000 0.297 220 F C 2.568 178.390 175.800 0.036 0.000 1.103 220 F CA 2.168 60.180 58.000 0.020 0.000 1.248 220 F CB -0.241 38.728 39.000 -0.052 0.000 0.999 220 F HN 0.181 nan 8.300 nan 0.000 0.475 221 L N 0.218 121.590 121.223 0.248 0.000 2.083 221 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 221 L C 2.682 179.433 176.870 -0.198 0.000 1.083 221 L CA 1.626 56.505 54.840 0.064 0.000 0.752 221 L CB -0.793 41.375 42.059 0.182 0.000 0.899 221 L HN 0.168 nan 8.230 nan 0.000 0.433 222 R N 0.745 121.230 120.500 -0.025 0.000 2.081 222 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 222 R C 2.309 178.558 176.300 -0.086 0.000 1.131 222 R CA 1.549 57.647 56.100 -0.003 0.000 0.960 222 R CB -0.006 30.377 30.300 0.138 0.000 0.856 222 R HN 0.269 nan 8.270 nan 0.000 0.436 223 K N -0.448 119.888 120.400 -0.108 0.000 2.025 223 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 223 K C 1.938 178.413 176.600 -0.208 0.000 1.049 223 K CA 1.642 57.840 56.287 -0.148 0.000 0.933 223 K CB -0.318 32.081 32.500 -0.169 0.000 0.714 223 K HN 0.143 nan 8.250 nan 0.000 0.438 224 F N 1.688 121.360 119.950 -0.464 0.000 2.095 224 F HA -0.273 4.253 4.527 -0.001 0.000 0.298 224 F C 2.134 177.769 175.800 -0.274 0.000 1.104 224 F CA 1.630 59.386 58.000 -0.407 0.000 1.232 224 F CB -0.259 38.484 39.000 -0.429 0.000 0.987 224 F HN -0.006 nan 8.300 nan 0.000 0.475 225 A N -0.113 122.544 122.820 -0.273 0.000 1.933 225 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 225 A C 1.911 179.345 177.584 -0.250 0.000 1.175 225 A CA 2.016 53.858 52.037 -0.325 0.000 0.628 225 A CB -0.955 17.808 19.000 -0.395 0.000 0.814 225 A HN 0.475 nan 8.150 nan 0.000 0.444 226 D N -0.059 120.227 120.400 -0.190 0.000 2.144 226 D HA -0.072 4.568 4.640 -0.000 0.000 0.200 226 D C 1.844 178.068 176.300 -0.128 0.000 0.978 226 D CA 0.955 54.882 54.000 -0.121 0.000 0.833 226 D CB -0.304 40.448 40.800 -0.080 0.000 0.961 226 D HN 0.535 nan 8.370 nan 0.000 0.470 227 I N 0.368 120.827 120.570 -0.185 0.000 2.179 227 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 227 I C 2.463 178.505 176.117 -0.125 0.000 1.088 227 I CA 0.645 61.861 61.300 -0.140 0.000 1.357 227 I CB -0.217 37.641 38.000 -0.237 0.000 1.051 227 I HN 0.073 nan 8.210 nan 0.000 0.409 228 C N 0.476 119.570 119.300 -0.342 0.000 2.413 228 C HA -0.181 4.279 4.460 -0.000 0.000 0.278 228 C C 2.923 177.837 174.990 -0.127 0.000 1.224 228 C CA 0.869 59.707 59.018 -0.301 0.000 1.732 228 C CB -1.046 26.425 27.740 -0.447 0.000 2.050 228 C HN 0.415 nan 8.230 nan 0.000 0.463 229 R N 1.086 121.514 120.500 -0.120 0.000 2.117 229 R HA -0.096 4.244 4.340 -0.000 0.000 0.243 229 R C 2.143 178.408 176.300 -0.058 0.000 1.143 229 R CA 1.714 57.771 56.100 -0.072 0.000 0.968 229 R CB -0.791 29.473 30.300 -0.060 0.000 0.863 229 R HN 0.588 nan 8.270 nan 0.000 0.444 230 A N -1.179 121.610 122.820 -0.052 0.000 2.121 230 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 230 A C 0.980 178.453 177.584 -0.185 0.000 1.154 230 A CA 1.373 53.351 52.037 -0.099 0.000 0.679 230 A CB -0.375 18.565 19.000 -0.099 0.000 0.795 230 A HN 0.419 nan 8.150 nan 0.000 0.458 231 H N -2.256 116.751 119.070 -0.105 0.000 2.594 231 H HA 0.375 4.931 4.556 -0.001 0.000 0.279 231 H C 1.480 176.757 175.328 -0.084 0.000 1.042 231 H CA 0.479 56.472 56.048 -0.092 0.000 1.177 231 H CB 0.606 30.304 29.762 -0.106 0.000 1.524 231 H HN 0.516 nan 8.280 nan 0.000 0.537 232 G N 0.748 109.545 108.800 -0.005 0.000 2.199 232 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 232 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 232 G C 0.280 175.158 174.900 -0.037 0.000 0.982 232 G CA 0.077 45.160 45.100 -0.028 0.000 0.632 232 G HN 0.312 nan 8.290 nan 0.000 0.529 233 I N 2.063 122.610 120.570 -0.038 0.000 2.517 233 I HA 0.262 4.432 4.170 -0.000 0.000 0.285 233 I C 1.141 177.207 176.117 -0.084 0.000 1.106 233 I CA -0.396 60.863 61.300 -0.068 0.000 1.402 233 I CB 0.698 38.638 38.000 -0.099 0.000 1.399 233 I HN 0.033 nan 8.210 nan 0.000 0.535 234 L N 7.146 128.317 121.223 -0.086 0.000 2.455 234 L HA 0.145 4.485 4.340 -0.000 0.000 0.272 234 L C -0.161 176.639 176.870 -0.116 0.000 1.174 234 L CA -0.315 54.468 54.840 -0.094 0.000 0.869 234 L CB 0.587 42.582 42.059 -0.107 0.000 1.130 234 L HN 0.337 nan 8.230 nan 0.000 0.474 235 V N 4.988 124.855 119.914 -0.078 0.000 2.348 235 V HA 0.191 4.311 4.120 -0.000 0.000 0.270 235 V C 0.150 176.202 176.094 -0.069 0.000 1.037 235 V CA -0.531 61.744 62.300 -0.043 0.000 0.872 235 V CB 1.378 33.224 31.823 0.039 0.000 1.002 235 V HN 0.403 nan 8.190 nan 0.000 0.464 236 V N 4.620 124.409 119.914 -0.208 0.000 2.350 236 V HA 0.241 4.361 4.120 -0.000 0.000 0.276 236 V C 0.198 176.247 176.094 -0.076 0.000 1.028 236 V CA -0.454 61.655 62.300 -0.319 0.000 0.860 236 V CB 1.408 32.646 31.823 -0.974 0.000 0.990 236 V HN 0.966 nan 8.190 nan 0.000 0.453 237 C N 5.027 124.366 119.300 0.065 0.000 2.225 237 C HA 0.343 4.803 4.460 -0.000 0.000 0.328 237 C C 0.333 175.463 174.990 0.233 0.000 1.187 237 C CA -0.623 58.532 59.018 0.229 0.000 1.665 237 C CB -0.481 27.427 27.740 0.280 0.000 2.253 237 C HN 0.924 nan 8.230 nan 0.000 0.497 238 D N 3.948 124.539 120.400 0.320 0.000 2.422 238 D HA 0.109 4.749 4.640 -0.000 0.000 0.227 238 D C 0.529 177.024 176.300 0.325 0.000 1.190 238 D CA 0.319 54.534 54.000 0.357 0.000 0.905 238 D CB 0.454 41.571 40.800 0.529 0.000 1.034 238 D HN 0.706 nan 8.370 nan 0.000 0.507 239 E N 2.675 123.044 120.200 0.282 0.000 2.499 239 E HA 0.069 4.419 4.350 -0.000 0.000 0.207 239 E C 1.482 178.217 176.600 0.225 0.000 1.034 239 E CA -0.189 56.368 56.400 0.262 0.000 1.098 239 E CB 0.923 30.796 29.700 0.289 0.000 1.148 239 E HN 0.309 nan 8.360 nan 0.000 0.447 240 V N 0.942 120.993 119.914 0.229 0.000 2.261 240 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 240 V C 2.327 178.527 176.094 0.177 0.000 1.047 240 V CA 2.038 64.460 62.300 0.204 0.000 1.015 240 V CB -0.232 31.724 31.823 0.221 0.000 0.642 240 V HN 0.197 nan 8.190 nan 0.000 0.446 241 K N 0.192 120.696 120.400 0.172 0.000 2.044 241 K HA -0.024 4.295 4.320 -0.000 0.000 0.204 241 K C 1.449 178.132 176.600 0.137 0.000 1.049 241 K CA 1.467 57.844 56.287 0.150 0.000 0.945 241 K CB -0.145 32.435 32.500 0.135 0.000 0.724 241 K HN 0.305 nan 8.250 nan 0.000 0.440 242 V N 0.748 120.747 119.914 0.142 0.000 3.542 242 V HA 0.301 4.421 4.120 -0.000 0.000 0.296 242 V C 0.952 177.121 176.094 0.125 0.000 1.364 242 V CA 0.071 62.445 62.300 0.124 0.000 1.118 242 V CB -0.067 31.829 31.823 0.122 0.000 0.972 242 V HN 0.368 nan 8.190 nan 0.000 0.430 243 G N -0.560 108.325 108.800 0.141 0.000 2.616 243 G HA2 0.446 4.405 3.960 -0.000 0.000 0.268 243 G HA3 0.446 4.405 3.960 -0.000 0.000 0.268 243 G C 0.078 175.025 174.900 0.079 0.000 1.213 243 G CA -0.685 44.502 45.100 0.145 0.000 0.926 243 G HN 0.374 nan 8.290 nan 0.000 0.523 244 L N -1.055 120.188 121.223 0.033 0.000 3.790 244 L HA -0.230 4.110 4.340 -0.000 0.000 0.602 244 L C 1.532 178.372 176.870 -0.049 0.000 1.172 244 L CA 0.579 55.390 54.840 -0.048 0.000 0.901 244 L CB -1.717 40.343 42.059 0.000 0.000 1.342 244 L HN 1.959 nan 8.230 nan 0.000 0.820 245 A N 0.073 122.848 122.820 -0.075 0.000 4.018 245 A HA -0.342 3.978 4.320 -0.000 0.000 0.252 245 A C 1.786 179.366 177.584 -0.006 0.000 0.872 245 A CA 1.679 53.686 52.037 -0.050 0.000 1.417 245 A CB -1.149 17.819 19.000 -0.054 0.000 1.002 245 A HN 0.727 nan 8.150 nan 0.000 0.777 246 R N 1.047 121.556 120.500 0.014 0.000 2.096 246 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 246 R C 2.295 178.621 176.300 0.043 0.000 1.127 246 R CA 2.352 58.471 56.100 0.031 0.000 0.968 246 R CB -0.330 29.998 30.300 0.047 0.000 0.861 246 R HN 1.116 nan 8.270 nan 0.000 0.440 247 S N -1.458 114.282 115.700 0.066 0.000 2.555 247 S HA 0.084 4.553 4.470 -0.000 0.000 0.230 247 S C 1.302 176.000 174.600 0.164 0.000 0.978 247 S CA 0.660 58.916 58.200 0.092 0.000 0.934 247 S CB 0.409 63.694 63.200 0.143 0.000 0.766 247 S HN 0.621 nan 8.310 nan 0.000 0.533 248 G N 0.747 109.612 108.800 0.109 0.000 2.176 248 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.232 248 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.232 248 G C 0.043 174.973 174.900 0.049 0.000 0.986 248 G CA -0.110 45.044 45.100 0.090 0.000 0.643 248 G HN 0.598 nan 8.290 nan 0.000 0.522 249 R N -0.964 119.554 120.500 0.031 0.000 2.837 249 R HA 0.612 4.952 4.340 -0.000 0.000 0.271 249 R C 0.946 177.172 176.300 -0.123 0.000 0.993 249 R CA -0.659 55.379 56.100 -0.104 0.000 0.931 249 R CB 1.220 31.367 30.300 -0.255 0.000 1.206 249 R HN 0.185 nan 8.270 nan 0.000 0.474 250 L N 1.095 122.202 121.223 -0.195 0.000 2.013 250 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 250 L C 0.341 176.943 176.870 -0.446 0.000 1.073 250 L CA 2.069 56.721 54.840 -0.315 0.000 0.753 250 L CB -0.278 41.558 42.059 -0.371 0.000 0.890 250 L HN 0.453 nan 8.230 nan 0.000 0.432 251 H N -2.780 116.138 119.070 -0.252 0.000 2.572 251 H HA 0.180 4.736 4.556 0.000 0.000 0.359 251 H C 0.565 175.649 175.328 -0.406 0.000 1.134 251 H CA -0.208 55.610 56.048 -0.384 0.000 1.187 251 H CB 1.430 30.678 29.762 -0.856 0.000 1.597 251 H HN 0.090 nan 8.280 nan 0.000 0.524 252 C N 3.469 122.751 119.300 -0.030 0.000 2.435 252 C HA -0.150 4.310 4.460 -0.000 0.000 0.279 252 C C 2.593 177.652 174.990 0.114 0.000 1.321 252 C CA 0.743 59.837 59.018 0.127 0.000 1.752 252 C CB -1.676 26.178 27.740 0.189 0.000 1.959 252 C HN 0.773 nan 8.230 nan 0.000 0.500 253 F N 1.522 121.534 119.950 0.103 0.000 2.373 253 F HA -0.023 4.504 4.527 0.000 0.000 0.300 253 F C 1.808 177.535 175.800 -0.122 0.000 1.080 253 F CA 1.398 59.322 58.000 -0.127 0.000 1.417 253 F CB -1.472 37.231 39.000 -0.495 0.000 1.070 253 F HN 0.254 nan 8.300 nan 0.000 0.546 254 E N -0.133 119.846 120.200 -0.368 0.000 2.333 254 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 254 E C 1.616 178.129 176.600 -0.145 0.000 1.007 254 E CA 1.035 57.294 56.400 -0.236 0.000 0.845 254 E CB -0.437 29.053 29.700 -0.351 0.000 0.766 254 E HN 0.649 nan 8.360 nan 0.000 0.507 255 H N -0.058 119.014 119.070 0.002 0.000 2.535 255 H HA 0.066 4.622 4.556 -0.000 0.000 0.273 255 H C 1.136 176.536 175.328 0.121 0.000 0.983 255 H CA 0.739 56.822 56.048 0.058 0.000 1.238 255 H CB 0.623 30.426 29.762 0.069 0.000 1.412 255 H HN 0.126 nan 8.280 nan 0.000 0.562 256 E N -0.235 120.134 120.200 0.282 0.000 2.538 256 E HA 0.126 4.476 4.350 -0.000 0.000 0.207 256 E C 1.067 177.902 176.600 0.392 0.000 1.002 256 E CA 0.185 56.809 56.400 0.373 0.000 0.952 256 E CB 0.896 30.936 29.700 0.566 0.000 1.031 256 E HN 0.491 nan 8.360 nan 0.000 0.476 257 G N 2.291 111.240 108.800 0.249 0.000 2.221 257 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.265 257 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.265 257 G C -0.041 175.034 174.900 0.291 0.000 1.041 257 G CA 1.009 46.237 45.100 0.213 0.000 0.807 257 G HN 0.316 nan 8.290 nan 0.000 0.502 258 F N -2.177 117.859 119.950 0.145 0.000 2.662 258 F HA 0.791 5.318 4.527 -0.001 0.000 0.312 258 F C -0.816 175.013 175.800 0.048 0.000 1.113 258 F CA -1.912 56.138 58.000 0.084 0.000 0.951 258 F CB 1.388 40.438 39.000 0.082 0.000 1.344 258 F HN 0.234 nan 8.300 nan 0.000 0.462 259 V N 2.870 122.697 119.914 -0.145 0.000 2.448 259 V HA 0.548 4.667 4.120 -0.000 0.000 0.295 259 V C -2.254 173.692 176.094 -0.247 0.000 1.025 259 V CA -1.730 60.263 62.300 -0.511 0.000 0.859 259 V CB 1.499 33.095 31.823 -0.378 0.000 0.988 259 V HN 0.732 nan 8.190 nan 0.000 0.431 260 P HA 0.269 nan 4.420 nan 0.000 0.276 260 P C -0.068 177.253 177.300 0.035 0.000 1.244 260 P CA -0.234 62.865 63.100 -0.001 0.000 0.801 260 P CB 1.354 33.036 31.700 -0.030 0.000 1.006 261 D N 0.590 121.036 120.400 0.076 0.000 2.178 261 D HA 0.017 4.657 4.640 -0.000 0.000 0.202 261 D C 0.711 177.095 176.300 0.139 0.000 0.974 261 D CA 1.492 55.564 54.000 0.119 0.000 0.841 261 D CB 0.262 41.083 40.800 0.035 0.000 0.953 261 D HN 0.383 nan 8.370 nan 0.000 0.478 262 I N 0.772 121.351 120.570 0.015 0.000 2.569 262 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 262 I C -1.146 174.895 176.117 -0.127 0.000 1.088 262 I CA -0.952 60.302 61.300 -0.077 0.000 1.047 262 I CB 2.902 40.832 38.000 -0.117 0.000 1.237 262 I HN -0.245 nan 8.210 nan 0.000 0.421 263 L N 7.791 128.860 121.223 -0.257 0.000 2.305 263 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 263 L C -0.832 175.996 176.870 -0.070 0.000 1.013 263 L CA -0.395 54.340 54.840 -0.175 0.000 0.819 263 L CB 1.639 43.482 42.059 -0.360 0.000 1.227 263 L HN 0.308 nan 8.230 nan 0.000 0.417 264 V N 6.153 126.101 119.914 0.057 0.000 2.394 264 V HA 0.527 4.646 4.120 -0.000 0.000 0.282 264 V C -0.317 175.877 176.094 0.166 0.000 1.031 264 V CA -0.608 61.765 62.300 0.121 0.000 0.881 264 V CB 1.362 33.296 31.823 0.185 0.000 0.982 264 V HN 0.490 nan 8.190 nan 0.000 0.451 265 L N 3.633 124.955 121.223 0.166 0.000 2.341 265 L HA 1.049 5.389 4.340 -0.000 0.000 0.267 265 L C 0.511 177.496 176.870 0.192 0.000 1.009 265 L CA 0.199 55.148 54.840 0.180 0.000 0.819 265 L CB 1.741 43.900 42.059 0.166 0.000 1.323 265 L HN 0.846 nan 8.230 nan 0.000 0.425 266 G N -0.238 108.671 108.800 0.181 0.000 2.500 266 G HA2 0.405 4.365 3.960 -0.000 0.000 0.299 266 G HA3 0.405 4.365 3.960 -0.000 0.000 0.299 266 G C -0.345 174.647 174.900 0.153 0.000 1.242 266 G CA -0.011 45.194 45.100 0.176 0.000 0.859 266 G HN 0.419 nan 8.290 nan 0.000 0.481 267 K N -1.359 119.131 120.400 0.149 0.000 3.138 267 K HA -0.329 3.991 4.320 -0.000 0.000 0.187 267 K C 2.043 178.711 176.600 0.114 0.000 0.767 267 K CA 2.325 58.694 56.287 0.137 0.000 0.521 267 K CB -1.574 31.016 32.500 0.149 0.000 0.757 267 K HN 1.089 nan 8.250 nan 0.000 0.792 268 G N 1.416 110.277 108.800 0.102 0.000 2.499 268 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.221 268 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.221 268 G C 1.348 176.282 174.900 0.056 0.000 1.109 268 G CA 1.146 46.286 45.100 0.067 0.000 0.749 268 G HN 0.333 nan 8.290 nan 0.000 0.568 269 L N 0.579 121.850 121.223 0.080 0.000 2.013 269 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 269 L C 2.793 179.700 176.870 0.061 0.000 1.073 269 L CA 1.925 56.813 54.840 0.080 0.000 0.753 269 L CB -0.644 41.485 42.059 0.117 0.000 0.890 269 L HN 0.355 nan 8.230 nan 0.000 0.432 270 G N -1.873 106.968 108.800 0.069 0.000 2.744 270 G HA2 0.025 3.985 3.960 -0.000 0.000 0.211 270 G HA3 0.025 3.985 3.960 -0.000 0.000 0.211 270 G C 1.165 176.088 174.900 0.039 0.000 1.143 270 G CA 0.499 45.631 45.100 0.053 0.000 0.788 270 G HN 0.670 nan 8.290 nan 0.000 0.534 271 G N -0.797 108.021 108.800 0.030 0.000 2.244 271 G HA2 0.118 4.077 3.960 -0.000 0.000 0.274 271 G HA3 0.118 4.077 3.960 -0.000 0.000 0.274 271 G C 1.117 176.037 174.900 0.033 0.000 1.002 271 G CA 1.362 46.467 45.100 0.008 0.000 0.740 271 G HN 1.817 nan 8.290 nan 0.000 0.516 272 G N -2.835 106.003 108.800 0.064 0.000 2.485 272 G HA2 0.100 4.060 3.960 -0.000 0.000 0.181 272 G HA3 0.100 4.060 3.960 -0.000 0.000 0.181 272 G C -0.067 174.885 174.900 0.086 0.000 0.999 272 G CA 0.211 45.368 45.100 0.095 0.000 0.721 272 G HN 0.883 nan 8.290 nan 0.000 0.486 273 L N 1.281 122.546 121.223 0.070 0.000 2.322 273 L HA 0.683 5.022 4.340 -0.000 0.000 0.269 273 L C -2.214 174.703 176.870 0.078 0.000 1.012 273 L CA -2.454 52.423 54.840 0.063 0.000 0.815 273 L CB 1.260 43.346 42.059 0.045 0.000 1.295 273 L HN -0.148 nan 8.230 nan 0.000 0.438 274 P HA 0.381 nan 4.420 nan 0.000 0.276 274 P C -1.144 176.245 177.300 0.149 0.000 1.264 274 P CA -0.143 63.033 63.100 0.127 0.000 0.769 274 P CB 0.660 32.432 31.700 0.120 0.000 0.840 275 L N 3.204 124.510 121.223 0.138 0.000 2.614 275 L HA 0.541 4.881 4.340 -0.000 0.000 0.264 275 L C -0.677 176.281 176.870 0.147 0.000 0.940 275 L CA -0.010 54.897 54.840 0.112 0.000 0.903 275 L CB 1.720 43.816 42.059 0.061 0.000 1.306 275 L HN 0.464 nan 8.230 nan 0.000 0.410 276 S N 3.268 119.065 115.700 0.161 0.000 2.704 276 S HA 1.069 5.539 4.470 -0.000 0.000 0.296 276 S C -0.817 173.941 174.600 0.263 0.000 1.138 276 S CA -0.192 58.136 58.200 0.213 0.000 0.875 276 S CB 2.083 65.430 63.200 0.246 0.000 1.151 276 S HN 1.608 nan 8.310 nan 0.000 0.500 277 A N 0.322 123.298 122.820 0.260 0.000 2.566 277 A HA 0.679 4.999 4.320 -0.000 0.000 0.297 277 A C -1.524 176.164 177.584 0.174 0.000 1.059 277 A CA -0.654 51.495 52.037 0.185 0.000 0.691 277 A CB 1.423 20.485 19.000 0.103 0.000 1.282 277 A HN 1.122 nan 8.150 nan 0.000 0.401 278 V N 3.112 123.134 119.914 0.180 0.000 2.417 278 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 278 V C -0.333 175.729 176.094 -0.054 0.000 1.024 278 V CA -0.241 62.094 62.300 0.058 0.000 0.861 278 V CB 1.366 33.207 31.823 0.031 0.000 0.985 278 V HN 0.685 nan 8.190 nan 0.000 0.436 279 I N 4.571 125.044 120.570 -0.161 0.000 2.307 279 I HA 0.785 4.955 4.170 -0.000 0.000 0.289 279 I C 0.266 176.279 176.117 -0.174 0.000 1.021 279 I CA -0.173 60.972 61.300 -0.258 0.000 1.224 279 I CB 1.264 38.908 38.000 -0.593 0.000 1.376 279 I HN 0.698 nan 8.210 nan 0.000 0.470 280 A N 7.726 130.554 122.820 0.013 0.000 2.572 280 A HA 0.834 5.153 4.320 -0.000 0.000 0.295 280 A C -2.907 174.688 177.584 0.017 0.000 1.072 280 A CA -1.662 50.407 52.037 0.053 0.000 0.691 280 A CB 1.696 20.671 19.000 -0.043 0.000 1.291 280 A HN 0.363 nan 8.150 nan 0.000 0.404 281 P HA 0.232 nan 4.420 nan 0.000 0.266 281 P C 1.013 178.197 177.300 -0.193 0.000 1.195 281 P CA 0.723 63.586 63.100 -0.396 0.000 0.768 281 P CB 0.821 32.331 31.700 -0.317 0.000 0.838 282 A N 3.695 126.412 122.820 -0.172 0.000 1.997 282 A HA -0.275 4.045 4.320 -0.000 0.000 0.221 282 A C 1.681 179.218 177.584 -0.080 0.000 1.172 282 A CA 2.103 54.087 52.037 -0.088 0.000 0.645 282 A CB -1.156 17.805 19.000 -0.065 0.000 0.813 282 A HN 0.698 nan 8.150 nan 0.000 0.454 283 E N -0.291 119.850 120.200 -0.098 0.000 2.274 283 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 283 E C 1.571 178.114 176.600 -0.096 0.000 0.996 283 E CA 0.933 57.280 56.400 -0.088 0.000 0.840 283 E CB -0.186 29.460 29.700 -0.090 0.000 0.772 283 E HN 0.552 nan 8.360 nan 0.000 0.491 284 I N 0.696 121.205 120.570 -0.102 0.000 2.400 284 I HA -0.089 4.081 4.170 -0.000 0.000 0.248 284 I C 2.094 178.152 176.117 -0.098 0.000 1.109 284 I CA 1.043 62.278 61.300 -0.108 0.000 1.425 284 I CB -0.573 37.362 38.000 -0.108 0.000 1.094 284 I HN 0.189 nan 8.210 nan 0.000 0.425 285 L N 0.044 121.228 121.223 -0.066 0.000 2.418 285 L HA -0.046 4.294 4.340 -0.000 0.000 0.218 285 L C 1.277 178.138 176.870 -0.015 0.000 1.125 285 L CA 0.620 55.445 54.840 -0.025 0.000 0.835 285 L CB -0.275 41.793 42.059 0.014 0.000 0.953 285 L HN 0.145 nan 8.230 nan 0.000 0.454 286 D N -0.723 119.653 120.400 -0.040 0.000 2.349 286 D HA -0.018 4.621 4.640 -0.000 0.000 0.214 286 D C 1.998 178.261 176.300 -0.060 0.000 1.063 286 D CA 0.497 54.477 54.000 -0.033 0.000 0.847 286 D CB 0.170 40.953 40.800 -0.029 0.000 0.933 286 D HN 0.450 nan 8.370 nan 0.000 0.513 287 C N 0.146 119.386 119.300 -0.101 0.000 2.437 287 C HA 0.523 4.983 4.460 -0.000 0.000 0.283 287 C C 1.185 176.075 174.990 -0.166 0.000 1.424 287 C CA -0.276 58.660 59.018 -0.136 0.000 1.782 287 C CB -0.955 26.679 27.740 -0.177 0.000 1.833 287 C HN 0.173 nan 8.230 nan 0.000 0.532 288 A N 0.406 123.130 122.820 -0.161 0.000 2.609 288 A HA 0.778 5.098 4.320 -0.000 0.000 0.291 288 A C -0.438 177.143 177.584 -0.005 0.000 1.096 288 A CA 0.261 52.211 52.037 -0.144 0.000 0.684 288 A CB 0.893 19.649 19.000 -0.406 0.000 1.282 288 A HN 0.912 nan 8.150 nan 0.000 0.412 289 S N -0.417 115.319 115.700 0.061 0.000 2.634 289 S HA 0.743 5.213 4.470 -0.000 0.000 0.296 289 S C 0.418 175.122 174.600 0.173 0.000 1.104 289 S CA 0.078 58.344 58.200 0.112 0.000 0.920 289 S CB 1.356 64.598 63.200 0.070 0.000 1.111 289 S HN 2.595 nan 8.310 nan 0.000 0.493 290 A N -0.148 122.773 122.820 0.168 0.000 2.704 290 A HA -0.201 4.119 4.320 -0.000 0.000 0.299 290 A C 0.322 178.033 177.584 0.211 0.000 1.507 290 A CA 1.437 53.570 52.037 0.159 0.000 0.776 290 A CB -2.297 16.767 19.000 0.108 0.000 1.027 290 A HN 1.342 nan 8.150 nan 0.000 0.475 291 F N -0.860 119.148 119.950 0.096 0.000 2.479 291 F HA 0.558 5.087 4.527 0.003 0.000 0.280 291 F C 1.299 177.169 175.800 0.117 0.000 0.982 291 F CA 0.967 59.017 58.000 0.083 0.000 1.276 291 F CB 0.189 39.223 39.000 0.057 0.000 1.137 291 F HN 0.631 nan 8.300 nan 0.000 0.660 292 A N 2.996 125.934 122.820 0.197 0.000 2.399 292 A HA 0.668 4.988 4.320 -0.000 0.000 0.327 292 A C -0.703 177.148 177.584 0.444 0.000 1.367 292 A CA -0.433 51.713 52.037 0.181 0.000 0.842 292 A CB -0.345 18.771 19.000 0.195 0.000 1.142 292 A HN 0.408 nan 8.150 nan 0.000 0.495 293 M N 1.141 120.900 119.600 0.265 0.000 2.421 293 M HA 0.688 5.168 4.480 -0.000 0.000 0.287 293 M C -1.815 174.503 176.300 0.029 0.000 1.183 293 M CA -0.444 54.990 55.300 0.223 0.000 0.916 293 M CB 1.865 34.554 32.600 0.147 0.000 1.701 293 M HN 0.438 nan 8.290 nan 0.000 0.470 294 Q N 0.811 120.468 119.800 -0.239 0.000 2.389 294 Q HA 0.415 4.755 4.340 -0.000 0.000 0.277 294 Q C 0.176 175.981 176.000 -0.326 0.000 1.082 294 Q CA -0.771 54.797 55.803 -0.393 0.000 0.810 294 Q CB 2.976 31.344 28.738 -0.617 0.000 1.374 294 Q HN 0.880 nan 8.270 nan 0.000 0.422 295 T N 1.017 115.493 114.554 -0.130 0.000 2.653 295 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 295 T C 1.205 175.888 174.700 -0.028 0.000 1.035 295 T CA 1.244 63.312 62.100 -0.054 0.000 1.154 295 T CB 0.037 68.891 68.868 -0.023 0.000 0.862 295 T HN 0.389 nan 8.240 nan 0.000 0.441 296 L N 0.729 121.967 121.223 0.027 0.000 2.629 296 L HA 0.198 4.538 4.340 -0.000 0.000 0.230 296 L C 0.492 177.437 176.870 0.125 0.000 1.151 296 L CA 0.348 55.256 54.840 0.114 0.000 0.924 296 L CB -1.269 40.906 42.059 0.192 0.000 1.137 296 L HN 0.463 nan 8.230 nan 0.000 0.457 297 H N 0.076 119.063 119.070 -0.138 0.000 2.964 297 H HA 0.138 4.694 4.556 0.000 0.000 0.328 297 H C 1.248 176.447 175.328 -0.214 0.000 1.030 297 H CA 0.388 56.232 56.048 -0.339 0.000 1.445 297 H CB 0.634 30.143 29.762 -0.423 0.000 1.449 297 H HN 0.408 nan 8.280 nan 0.000 0.581 298 G N 3.166 111.880 108.800 -0.143 0.000 2.179 298 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 298 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 298 G C 0.034 174.825 174.900 -0.182 0.000 1.010 298 G CA 0.354 45.297 45.100 -0.261 0.000 0.736 298 G HN 0.922 nan 8.290 nan 0.000 0.513 299 N N 0.100 118.740 118.700 -0.100 0.000 2.441 299 N HA 0.412 5.152 4.740 -0.000 0.000 0.251 299 N C -0.514 174.941 175.510 -0.091 0.000 1.242 299 N CA -0.743 52.273 53.050 -0.057 0.000 0.898 299 N CB 1.038 39.527 38.487 0.003 0.000 1.100 299 N HN 0.126 nan 8.380 nan 0.000 0.443 300 P HA -0.116 nan 4.420 nan 0.000 0.219 300 P C 1.083 178.348 177.300 -0.057 0.000 1.150 300 P CA 1.135 64.195 63.100 -0.068 0.000 0.814 300 P CB 0.118 31.794 31.700 -0.040 0.000 0.787 301 I N -0.122 120.426 120.570 -0.037 0.000 2.202 301 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 301 I C 2.510 178.609 176.117 -0.029 0.000 1.091 301 I CA 1.411 62.697 61.300 -0.023 0.000 1.368 301 I CB -0.927 37.069 38.000 -0.008 0.000 1.058 301 I HN -0.089 nan 8.210 nan 0.000 0.410 302 S N 0.727 116.406 115.700 -0.035 0.000 2.368 302 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 302 S C 2.246 176.795 174.600 -0.086 0.000 1.030 302 S CA 1.406 59.583 58.200 -0.038 0.000 0.999 302 S CB -0.386 62.802 63.200 -0.021 0.000 0.844 302 S HN 0.543 nan 8.310 nan 0.000 0.459 303 A N 1.470 124.199 122.820 -0.153 0.000 1.930 303 A HA 0.183 4.503 4.320 -0.000 0.000 0.217 303 A C 2.349 179.869 177.584 -0.106 0.000 1.175 303 A CA 1.563 53.474 52.037 -0.211 0.000 0.627 303 A CB -1.041 17.774 19.000 -0.307 0.000 0.815 303 A HN 0.500 nan 8.150 nan 0.000 0.443 304 A N 0.105 122.884 122.820 -0.069 0.000 1.883 304 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 304 A C 2.519 180.093 177.584 -0.017 0.000 1.186 304 A CA 2.325 54.342 52.037 -0.032 0.000 0.624 304 A CB -1.086 17.902 19.000 -0.020 0.000 0.822 304 A HN 1.080 nan 8.150 nan 0.000 0.444 305 A N -0.608 122.203 122.820 -0.014 0.000 1.902 305 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 305 A C 2.441 180.023 177.584 -0.004 0.000 1.181 305 A CA 1.942 53.978 52.037 -0.001 0.000 0.623 305 A CB -1.438 17.567 19.000 0.009 0.000 0.818 305 A HN 0.790 nan 8.150 nan 0.000 0.443 306 G N -0.434 108.359 108.800 -0.011 0.000 2.440 306 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 306 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 306 G C 1.577 176.484 174.900 0.012 0.000 1.154 306 G CA 1.022 46.125 45.100 0.005 0.000 0.767 306 G HN 0.431 nan 8.290 nan 0.000 0.552 307 L N 0.347 121.572 121.223 0.003 0.000 2.109 307 L HA 0.070 4.409 4.340 -0.000 0.000 0.207 307 L C 3.266 180.141 176.870 0.008 0.000 1.086 307 L CA 0.993 55.841 54.840 0.013 0.000 0.760 307 L CB -0.214 41.850 42.059 0.009 0.000 0.910 307 L HN 0.324 nan 8.230 nan 0.000 0.437 308 A N -0.838 121.983 122.820 0.002 0.000 1.972 308 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 308 A C 2.178 179.743 177.584 -0.031 0.000 1.169 308 A CA 1.542 53.578 52.037 -0.001 0.000 0.635 308 A CB -0.606 18.401 19.000 0.011 0.000 0.810 308 A HN 0.277 nan 8.150 nan 0.000 0.446 309 V N 0.054 119.948 119.914 -0.033 0.000 2.307 309 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 309 V C 2.546 178.617 176.094 -0.039 0.000 1.045 309 V CA 1.945 64.212 62.300 -0.054 0.000 1.024 309 V CB -0.741 31.063 31.823 -0.031 0.000 0.651 309 V HN 0.582 nan 8.190 nan 0.000 0.449 310 L N -0.425 120.792 121.223 -0.010 0.000 2.056 310 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 310 L C 2.548 179.414 176.870 -0.006 0.000 1.078 310 L CA 1.655 56.494 54.840 -0.002 0.000 0.749 310 L CB -0.651 41.422 42.059 0.024 0.000 0.901 310 L HN 0.366 nan 8.230 nan 0.000 0.433 311 E N -0.392 119.807 120.200 -0.002 0.000 2.072 311 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 311 E C 2.130 178.727 176.600 -0.004 0.000 0.985 311 E CA 1.749 58.151 56.400 0.003 0.000 0.801 311 E CB -0.062 29.645 29.700 0.012 0.000 0.750 311 E HN 0.439 nan 8.360 nan 0.000 0.452 312 T N 1.250 115.791 114.554 -0.022 0.000 2.777 312 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 312 T C 1.964 176.640 174.700 -0.039 0.000 1.040 312 T CA 0.697 62.777 62.100 -0.034 0.000 1.141 312 T CB -0.161 68.638 68.868 -0.114 0.000 0.868 312 T HN 0.094 nan 8.240 nan 0.000 0.444 313 I N 1.309 121.850 120.570 -0.048 0.000 2.118 313 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 313 I C 2.502 178.600 176.117 -0.032 0.000 1.070 313 I CA 1.660 62.933 61.300 -0.045 0.000 1.327 313 I CB -0.342 37.627 38.000 -0.052 0.000 1.034 313 I HN 0.207 nan 8.210 nan 0.000 0.405 314 D N 0.459 120.845 120.400 -0.023 0.000 2.084 314 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 314 D C 2.316 178.611 176.300 -0.007 0.000 0.990 314 D CA 1.349 55.341 54.000 -0.014 0.000 0.826 314 D CB -0.072 40.724 40.800 -0.006 0.000 0.971 314 D HN 0.086 nan 8.370 nan 0.000 0.453 315 R N -0.037 120.463 120.500 -0.001 0.000 2.081 315 R HA -0.114 4.225 4.340 -0.000 0.000 0.235 315 R C 0.550 176.855 176.300 0.008 0.000 1.131 315 R CA 1.743 57.848 56.100 0.008 0.000 0.960 315 R CB -0.036 30.275 30.300 0.018 0.000 0.856 315 R HN 0.087 nan 8.270 nan 0.000 0.436 316 D N 0.488 120.891 120.400 0.006 0.000 2.342 316 D HA 0.012 4.652 4.640 -0.000 0.000 0.221 316 D C -0.484 175.815 176.300 -0.003 0.000 1.101 316 D CA 0.243 54.247 54.000 0.008 0.000 0.837 316 D CB -0.018 40.792 40.800 0.017 0.000 0.938 316 D HN 0.189 nan 8.370 nan 0.000 0.508 317 D N 0.661 121.055 120.400 -0.010 0.000 2.810 317 D HA -0.212 4.428 4.640 -0.000 0.000 0.224 317 D C 1.146 177.434 176.300 -0.020 0.000 1.222 317 D CA 0.161 54.151 54.000 -0.017 0.000 0.698 317 D CB -0.782 40.010 40.800 -0.013 0.000 0.961 317 D HN 0.298 nan 8.370 nan 0.000 0.403 318 L N 0.109 121.316 121.223 -0.026 0.000 2.131 318 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 318 L C -0.486 176.367 176.870 -0.028 0.000 1.092 318 L CA 0.887 55.710 54.840 -0.028 0.000 0.759 318 L CB -1.102 40.934 42.059 -0.038 0.000 0.903 318 L HN 0.257 nan 8.230 nan 0.000 0.435 319 P HA -0.182 nan 4.420 nan 0.000 0.215 319 P C 1.527 178.818 177.300 -0.016 0.000 1.153 319 P CA 1.803 64.885 63.100 -0.030 0.000 0.853 319 P CB 0.030 31.699 31.700 -0.052 0.000 0.788 320 A N -0.949 121.860 122.820 -0.019 0.000 1.898 320 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 320 A C 2.111 179.690 177.584 -0.008 0.000 1.181 320 A CA 1.877 53.907 52.037 -0.012 0.000 0.620 320 A CB -1.402 17.590 19.000 -0.013 0.000 0.819 320 A HN 0.016 nan 8.150 nan 0.000 0.442 321 M N -0.108 119.486 119.600 -0.011 0.000 2.080 321 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 321 M C 2.497 178.789 176.300 -0.012 0.000 1.068 321 M CA 1.674 56.967 55.300 -0.012 0.000 1.109 321 M CB -1.754 30.839 32.600 -0.013 0.000 1.342 321 M HN 0.470 nan 8.290 nan 0.000 0.405 322 A N -0.338 122.476 122.820 -0.010 0.000 1.933 322 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 322 A C 2.138 179.723 177.584 0.003 0.000 1.175 322 A CA 2.048 54.082 52.037 -0.005 0.000 0.628 322 A CB -0.622 18.379 19.000 0.001 0.000 0.814 322 A HN 0.479 nan 8.150 nan 0.000 0.444 323 E N 0.415 120.621 120.200 0.010 0.000 2.031 323 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 323 E C 2.181 178.784 176.600 0.005 0.000 0.994 323 E CA 1.543 57.954 56.400 0.019 0.000 0.800 323 E CB -0.379 29.336 29.700 0.025 0.000 0.752 323 E HN 0.487 nan 8.360 nan 0.000 0.447 324 R N 0.243 120.741 120.500 -0.002 0.000 2.082 324 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 324 R C 2.442 178.729 176.300 -0.021 0.000 1.136 324 R CA 2.023 58.118 56.100 -0.009 0.000 0.935 324 R CB -0.304 29.990 30.300 -0.010 0.000 0.842 324 R HN 0.156 nan 8.270 nan 0.000 0.430 325 K N -0.931 119.452 120.400 -0.029 0.000 2.209 325 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 325 K C 1.972 178.541 176.600 -0.051 0.000 1.048 325 K CA 1.158 57.416 56.287 -0.049 0.000 0.940 325 K CB -0.177 32.292 32.500 -0.051 0.000 0.729 325 K HN 0.317 nan 8.250 nan 0.000 0.451 326 G N 0.882 109.662 108.800 -0.033 0.000 2.403 326 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 326 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 326 G C 1.418 176.296 174.900 -0.037 0.000 1.154 326 G CA 0.156 45.236 45.100 -0.033 0.000 0.784 326 G HN 0.127 nan 8.290 nan 0.000 0.538 327 R N -0.549 119.936 120.500 -0.025 0.000 2.066 327 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 327 R C 2.514 178.795 176.300 -0.030 0.000 1.131 327 R CA 1.026 57.114 56.100 -0.022 0.000 0.955 327 R CB -0.706 29.589 30.300 -0.008 0.000 0.851 327 R HN 0.362 nan 8.270 nan 0.000 0.432 328 L N 1.239 122.442 121.223 -0.033 0.000 1.990 328 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 328 L C 2.287 179.121 176.870 -0.060 0.000 1.072 328 L CA 1.556 56.375 54.840 -0.035 0.000 0.755 328 L CB -0.574 41.452 42.059 -0.056 0.000 0.889 328 L HN 0.123 nan 8.230 nan 0.000 0.432 329 L N -0.535 120.630 121.223 -0.096 0.000 2.012 329 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 329 L C 2.677 179.456 176.870 -0.152 0.000 1.073 329 L CA 1.787 56.539 54.840 -0.146 0.000 0.748 329 L CB -0.564 41.387 42.059 -0.180 0.000 0.891 329 L HN 0.221 nan 8.230 nan 0.000 0.431 330 R N -0.650 119.785 120.500 -0.109 0.000 2.075 330 R HA -0.136 4.203 4.340 -0.000 0.000 0.232 330 R C 1.947 178.206 176.300 -0.068 0.000 1.126 330 R CA 1.267 57.312 56.100 -0.092 0.000 0.963 330 R CB -0.492 29.774 30.300 -0.057 0.000 0.858 330 R HN 0.412 nan 8.270 nan 0.000 0.435 331 D N -0.115 120.257 120.400 -0.047 0.000 2.127 331 D HA -0.164 4.476 4.640 -0.000 0.000 0.190 331 D C 1.859 178.137 176.300 -0.037 0.000 1.000 331 D CA 1.813 55.794 54.000 -0.031 0.000 0.839 331 D CB -0.633 40.159 40.800 -0.013 0.000 0.955 331 D HN 0.385 nan 8.370 nan 0.000 0.446 332 G N 0.182 108.959 108.800 -0.039 0.000 2.422 332 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 332 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 332 G C 1.786 176.651 174.900 -0.057 0.000 1.146 332 G CA 0.312 45.392 45.100 -0.033 0.000 0.769 332 G HN 0.271 nan 8.290 nan 0.000 0.547 333 L N 0.669 121.835 121.223 -0.094 0.000 2.156 333 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 333 L C 3.108 179.936 176.870 -0.070 0.000 1.095 333 L CA 0.851 55.633 54.840 -0.097 0.000 0.770 333 L CB -0.249 41.722 42.059 -0.148 0.000 0.914 333 L HN 0.162 nan 8.230 nan 0.000 0.439 334 S N -0.487 115.177 115.700 -0.060 0.000 2.368 334 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 334 S C 1.832 176.398 174.600 -0.057 0.000 1.029 334 S CA 0.984 59.154 58.200 -0.051 0.000 0.988 334 S CB -0.132 63.045 63.200 -0.039 0.000 0.838 334 S HN 0.308 nan 8.310 nan 0.000 0.462 335 E N 1.247 121.415 120.200 -0.053 0.000 2.114 335 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 335 E C 1.797 178.351 176.600 -0.076 0.000 1.008 335 E CA 0.974 57.341 56.400 -0.056 0.000 0.810 335 E CB -0.434 29.242 29.700 -0.041 0.000 0.739 335 E HN 0.277 nan 8.360 nan 0.000 0.456 336 L N -0.260 120.921 121.223 -0.071 0.000 2.093 336 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 336 L C 2.203 178.985 176.870 -0.146 0.000 1.085 336 L CA 1.628 56.419 54.840 -0.081 0.000 0.755 336 L CB -0.959 41.061 42.059 -0.065 0.000 0.904 336 L HN 0.134 nan 8.230 nan 0.000 0.435 337 A N -0.672 122.074 122.820 -0.124 0.000 1.902 337 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 337 A C 2.264 179.780 177.584 -0.113 0.000 1.181 337 A CA 1.587 53.557 52.037 -0.112 0.000 0.623 337 A CB -0.453 18.505 19.000 -0.070 0.000 0.818 337 A HN 0.371 nan 8.150 nan 0.000 0.443 338 K N -0.976 119.358 120.400 -0.110 0.000 2.519 338 K HA -0.072 4.248 4.320 -0.000 0.000 0.196 338 K C 1.687 178.193 176.600 -0.156 0.000 1.041 338 K CA 1.117 57.341 56.287 -0.106 0.000 0.954 338 K CB -0.047 32.403 32.500 -0.084 0.000 0.774 338 K HN 0.465 nan 8.250 nan 0.000 0.480 339 R N -1.159 119.187 120.500 -0.257 0.000 2.435 339 R HA 0.123 4.463 4.340 -0.000 0.000 0.221 339 R C -0.005 175.950 176.300 -0.575 0.000 0.885 339 R CA 0.032 55.873 56.100 -0.430 0.000 1.018 339 R CB 0.702 30.643 30.300 -0.598 0.000 1.259 339 R HN 0.101 nan 8.270 nan 0.000 0.597 340 H N 0.569 119.529 119.070 -0.183 0.000 2.792 340 H HA 0.217 4.772 4.556 -0.000 0.000 0.298 340 H C -2.123 173.111 175.328 -0.155 0.000 1.042 340 H CA -2.372 53.547 56.048 -0.214 0.000 1.300 340 H CB 1.750 31.207 29.762 -0.508 0.000 1.431 340 H HN -0.163 nan 8.280 nan 0.000 0.496 341 P HA -0.146 nan 4.420 nan 0.000 0.219 341 P C 1.642 178.975 177.300 0.056 0.000 1.144 341 P CA 0.865 63.984 63.100 0.032 0.000 0.806 341 P CB 0.418 32.143 31.700 0.041 0.000 0.771 342 L N -1.371 119.905 121.223 0.089 0.000 2.141 342 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 342 L C 1.170 178.105 176.870 0.108 0.000 1.094 342 L CA 0.541 55.458 54.840 0.127 0.000 0.763 342 L CB -0.549 41.651 42.059 0.236 0.000 0.908 342 L HN -0.076 nan 8.230 nan 0.000 0.437 343 I N 0.626 121.225 120.570 0.048 0.000 2.574 343 I HA -0.064 4.106 4.170 -0.000 0.000 0.291 343 I C 1.468 177.594 176.117 0.016 0.000 1.131 343 I CA 0.079 61.393 61.300 0.024 0.000 1.352 343 I CB 0.614 38.574 38.000 -0.067 0.000 1.431 343 I HN 0.068 nan 8.210 nan 0.000 0.543 344 G N 4.371 113.181 108.800 0.016 0.000 2.595 344 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.213 344 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.213 344 G C 0.057 174.907 174.900 -0.083 0.000 1.141 344 G CA 0.269 45.386 45.100 0.027 0.000 0.806 344 G HN 0.578 nan 8.290 nan 0.000 0.530 345 D N -0.892 119.390 120.400 -0.196 0.000 2.931 345 D HA 0.414 5.054 4.640 -0.000 0.000 0.215 345 D C -1.228 174.986 176.300 -0.144 0.000 1.297 345 D CA -0.557 53.276 54.000 -0.279 0.000 0.892 345 D CB 1.583 41.913 40.800 -0.783 0.000 1.642 345 D HN -0.040 nan 8.370 nan 0.000 0.560 346 I N 3.866 124.390 120.570 -0.077 0.000 2.406 346 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 346 I C 0.043 176.145 176.117 -0.025 0.000 0.999 346 I CA -0.636 60.646 61.300 -0.030 0.000 1.124 346 I CB 1.363 39.350 38.000 -0.021 0.000 1.289 346 I HN 0.323 nan 8.210 nan 0.000 0.441 347 R N 4.381 124.878 120.500 -0.006 0.000 2.764 347 R HA 0.967 5.307 4.340 -0.000 0.000 0.270 347 R C -0.675 175.636 176.300 0.018 0.000 1.014 347 R CA -0.962 55.138 56.100 -0.000 0.000 0.904 347 R CB 2.317 32.611 30.300 -0.010 0.000 1.236 347 R HN 0.790 nan 8.270 nan 0.000 0.466 348 G N 0.812 109.617 108.800 0.008 0.000 2.361 348 G HA2 0.157 4.117 3.960 -0.000 0.000 0.331 348 G HA3 0.157 4.117 3.960 -0.000 0.000 0.331 348 G C -1.745 173.140 174.900 -0.024 0.000 1.324 348 G CA -1.140 43.965 45.100 0.008 0.000 0.984 348 G HN 0.600 nan 8.290 nan 0.000 0.586 349 R N -0.255 120.223 120.500 -0.036 0.000 2.686 349 R HA 0.670 5.010 4.340 -0.000 0.000 0.283 349 R C 0.907 177.195 176.300 -0.021 0.000 0.978 349 R CA -0.100 55.953 56.100 -0.077 0.000 0.897 349 R CB 1.726 31.885 30.300 -0.235 0.000 1.192 349 R HN 2.253 nan 8.270 nan 0.000 0.457 350 G N 1.819 110.619 108.800 0.001 0.000 2.652 350 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.318 350 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.318 350 G C 0.235 175.143 174.900 0.013 0.000 1.295 350 G CA 0.244 45.355 45.100 0.018 0.000 0.999 350 G HN 0.506 nan 8.290 nan 0.000 0.548 351 L N 1.753 122.988 121.223 0.020 0.000 2.928 351 L HA 0.568 4.908 4.340 -0.000 0.000 0.236 351 L C 1.112 178.015 176.870 0.055 0.000 1.290 351 L CA 0.407 55.264 54.840 0.027 0.000 1.099 351 L CB -0.018 42.050 42.059 0.014 0.000 1.437 351 L HN 0.727 nan 8.230 nan 0.000 0.493 352 A N 0.198 123.052 122.820 0.057 0.000 2.536 352 A HA 0.595 4.915 4.320 -0.000 0.000 0.329 352 A C -0.516 177.119 177.584 0.085 0.000 1.321 352 A CA -0.379 51.705 52.037 0.077 0.000 0.804 352 A CB 0.156 19.195 19.000 0.064 0.000 1.126 352 A HN 0.327 nan 8.150 nan 0.000 0.480 353 C N 0.935 120.323 119.300 0.147 0.000 2.561 353 C HA 0.930 5.390 4.460 -0.000 0.000 0.319 353 C C 0.774 175.929 174.990 0.275 0.000 1.198 353 C CA -0.641 58.485 59.018 0.180 0.000 1.665 353 C CB 1.502 29.329 27.740 0.145 0.000 2.258 353 C HN 0.989 nan 8.230 nan 0.000 0.493 354 G N 1.623 110.540 108.800 0.195 0.000 2.513 354 G HA2 0.686 4.646 3.960 -0.000 0.000 0.317 354 G HA3 0.686 4.646 3.960 -0.000 0.000 0.317 354 G C -1.268 173.737 174.900 0.174 0.000 1.277 354 G CA -0.394 44.798 45.100 0.153 0.000 0.955 354 G HN 0.758 nan 8.290 nan 0.000 0.484 355 M N 2.320 122.041 119.600 0.202 0.000 2.093 355 M HA 0.428 4.908 4.480 -0.000 0.000 0.297 355 M C -0.651 175.693 176.300 0.074 0.000 0.938 355 M CA -0.645 54.759 55.300 0.174 0.000 0.920 355 M CB 1.731 34.548 32.600 0.363 0.000 1.517 355 M HN 0.562 nan 8.290 nan 0.000 0.427 356 E N 4.927 125.111 120.200 -0.027 0.000 2.259 356 E HA 0.476 4.826 4.350 -0.000 0.000 0.281 356 E C -1.687 174.910 176.600 -0.005 0.000 1.027 356 E CA -0.437 55.927 56.400 -0.061 0.000 0.838 356 E CB 0.961 30.533 29.700 -0.214 0.000 1.066 356 E HN 0.734 nan 8.360 nan 0.000 0.401 357 L N 5.174 126.422 121.223 0.041 0.000 2.317 357 L HA 0.598 4.938 4.340 -0.000 0.000 0.281 357 L C -0.568 176.345 176.870 0.072 0.000 1.024 357 L CA -1.154 53.735 54.840 0.082 0.000 0.810 357 L CB 1.370 43.494 42.059 0.108 0.000 1.240 357 L HN 0.434 nan 8.230 nan 0.000 0.427 358 V N -1.675 118.293 119.914 0.090 0.000 3.007 358 V HA 0.348 4.467 4.120 -0.000 0.000 0.311 358 V C 0.388 176.528 176.094 0.078 0.000 1.120 358 V CA -0.796 61.560 62.300 0.094 0.000 0.980 358 V CB 1.463 33.371 31.823 0.142 0.000 1.033 358 V HN 0.921 nan 8.190 nan 0.000 0.429 359 C N 1.227 120.565 119.300 0.063 0.000 2.446 359 C HA 0.176 4.636 4.460 -0.000 0.000 0.279 359 C C 0.799 175.819 174.990 0.050 0.000 1.366 359 C CA 1.638 60.686 59.018 0.051 0.000 1.763 359 C CB -1.301 26.462 27.740 0.038 0.000 1.929 359 C HN 1.105 nan 8.230 nan 0.000 0.509 360 D N -2.064 118.369 120.400 0.055 0.000 2.977 360 D HA 0.232 4.872 4.640 -0.000 0.000 0.220 360 D C 0.651 176.988 176.300 0.061 0.000 1.267 360 D CA -0.539 53.490 54.000 0.048 0.000 0.884 360 D CB 0.806 41.626 40.800 0.032 0.000 1.667 360 D HN -0.080 nan 8.370 nan 0.000 0.536 361 R N 1.280 121.817 120.500 0.062 0.000 2.193 361 R HA -0.097 4.243 4.340 -0.000 0.000 0.229 361 R C 1.306 177.640 176.300 0.057 0.000 1.110 361 R CA 1.152 57.300 56.100 0.080 0.000 0.988 361 R CB 0.099 30.439 30.300 0.066 0.000 0.871 361 R HN 0.578 nan 8.270 nan 0.000 0.458 362 Q N -0.285 119.532 119.800 0.029 0.000 2.107 362 Q HA -0.025 4.315 4.340 -0.000 0.000 0.195 362 Q C 2.240 178.229 176.000 -0.018 0.000 0.964 362 Q CA 1.694 57.498 55.803 0.003 0.000 0.833 362 Q CB -0.235 28.504 28.738 0.002 0.000 0.910 362 Q HN 0.316 nan 8.270 nan 0.000 0.465 363 S N 0.637 116.333 115.700 -0.006 0.000 2.428 363 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 363 S C 0.614 175.197 174.600 -0.027 0.000 1.014 363 S CA 0.338 58.529 58.200 -0.016 0.000 0.957 363 S CB -0.189 63.011 63.200 -0.000 0.000 0.784 363 S HN 0.384 nan 8.310 nan 0.000 0.499 364 R N 1.106 121.608 120.500 0.004 0.000 3.422 364 R HA -0.118 4.222 4.340 -0.000 0.000 0.267 364 R C -0.442 175.895 176.300 0.060 0.000 1.074 364 R CA 0.859 56.984 56.100 0.043 0.000 0.718 364 R CB -2.207 28.006 30.300 -0.145 0.000 1.157 364 R HN 0.652 nan 8.270 nan 0.000 0.440 365 E N 1.778 122.009 120.200 0.052 0.000 2.289 365 E HA 0.175 4.524 4.350 -0.000 0.000 0.278 365 E C -2.178 174.457 176.600 0.058 0.000 1.032 365 E CA -2.232 54.194 56.400 0.044 0.000 0.854 365 E CB 0.921 30.639 29.700 0.029 0.000 1.046 365 E HN -0.056 nan 8.360 nan 0.000 0.409 366 P HA 0.020 nan 4.420 nan 0.000 0.267 366 P C -1.261 176.051 177.300 0.021 0.000 1.209 366 P CA 0.096 63.220 63.100 0.040 0.000 0.763 366 P CB 0.758 32.473 31.700 0.024 0.000 0.816 367 A N 4.284 127.115 122.820 0.019 0.000 3.016 367 A HA 0.150 4.470 4.320 -0.000 0.000 0.303 367 A C 1.656 179.219 177.584 -0.035 0.000 1.507 367 A CA -0.372 51.669 52.037 0.007 0.000 1.196 367 A CB -0.795 18.224 19.000 0.030 0.000 1.169 367 A HN 0.516 nan 8.150 nan 0.000 0.544 368 R N 1.536 122.006 120.500 -0.050 0.000 2.066 368 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 368 R C 1.991 178.227 176.300 -0.108 0.000 1.131 368 R CA 1.682 57.718 56.100 -0.106 0.000 0.955 368 R CB -0.086 30.172 30.300 -0.072 0.000 0.851 368 R HN 0.637 nan 8.270 nan 0.000 0.432 369 A N 0.769 123.562 122.820 -0.045 0.000 1.930 369 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 369 A C 1.837 179.408 177.584 -0.022 0.000 1.175 369 A CA 1.489 53.514 52.037 -0.020 0.000 0.627 369 A CB -0.256 18.744 19.000 0.000 0.000 0.815 369 A HN 0.417 nan 8.150 nan 0.000 0.443 370 E N -0.487 119.698 120.200 -0.024 0.000 2.107 370 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 370 E C 2.063 178.631 176.600 -0.053 0.000 0.982 370 E CA 1.565 57.953 56.400 -0.021 0.000 0.809 370 E CB -0.407 29.298 29.700 0.008 0.000 0.756 370 E HN 0.594 nan 8.360 nan 0.000 0.459 371 T N 0.633 115.134 114.554 -0.088 0.000 2.674 371 T HA -0.195 4.155 4.350 -0.000 0.000 0.265 371 T C 2.028 176.692 174.700 -0.061 0.000 1.039 371 T CA 1.400 63.424 62.100 -0.127 0.000 1.150 371 T CB -0.463 68.257 68.868 -0.247 0.000 0.864 371 T HN 0.283 nan 8.240 nan 0.000 0.427 372 A N 1.818 124.600 122.820 -0.064 0.000 1.908 372 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 372 A C 2.272 179.977 177.584 0.202 0.000 1.181 372 A CA 1.802 53.946 52.037 0.179 0.000 0.627 372 A CB -0.500 18.610 19.000 0.183 0.000 0.818 372 A HN 0.489 nan 8.150 nan 0.000 0.445 373 K N -0.559 119.893 120.400 0.087 0.000 2.097 373 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 373 K C 1.977 178.614 176.600 0.061 0.000 1.050 373 K CA 0.929 57.258 56.287 0.070 0.000 0.938 373 K CB -0.268 32.238 32.500 0.012 0.000 0.718 373 K HN 0.405 nan 8.250 nan 0.000 0.442 374 L N 2.120 123.328 121.223 -0.026 0.000 1.989 374 L HA -0.169 4.170 4.340 -0.000 0.000 0.211 374 L C 2.137 178.959 176.870 -0.081 0.000 1.071 374 L CA 1.942 56.691 54.840 -0.152 0.000 0.749 374 L CB -0.670 41.194 42.059 -0.325 0.000 0.890 374 L HN 0.232 nan 8.230 nan 0.000 0.431 375 I N -3.699 116.891 120.570 0.034 0.000 2.353 375 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 375 I C 2.660 178.814 176.117 0.060 0.000 1.119 375 I CA 1.144 62.480 61.300 0.060 0.000 1.417 375 I CB -1.021 37.084 38.000 0.175 0.000 1.078 375 I HN 0.114 nan 8.210 nan 0.000 0.421 376 Y N 1.988 122.365 120.300 0.128 0.000 2.128 376 Y HA -0.325 4.224 4.550 -0.000 0.000 0.284 376 Y C 2.910 178.797 175.900 -0.020 0.000 1.154 376 Y CA 2.289 60.447 58.100 0.096 0.000 1.149 376 Y CB -0.139 38.409 38.460 0.148 0.000 0.976 376 Y HN 0.104 nan 8.280 nan 0.000 0.505 377 R N 0.552 121.166 120.500 0.190 0.000 2.066 377 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 377 R C 2.314 178.552 176.300 -0.103 0.000 1.131 377 R CA 1.516 57.648 56.100 0.054 0.000 0.955 377 R CB -1.009 29.299 30.300 0.014 0.000 0.851 377 R HN 0.386 nan 8.270 nan 0.000 0.432 378 A N -0.104 122.627 122.820 -0.149 0.000 1.892 378 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 378 A C 2.170 179.565 177.584 -0.315 0.000 1.188 378 A CA 1.805 53.718 52.037 -0.207 0.000 0.631 378 A CB -1.187 17.695 19.000 -0.197 0.000 0.822 378 A HN 0.657 nan 8.150 nan 0.000 0.447 379 Y N 0.550 120.474 120.300 -0.625 0.000 2.128 379 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 379 Y C 2.382 177.975 175.900 -0.511 0.000 1.154 379 Y CA 2.351 59.943 58.100 -0.847 0.000 1.149 379 Y CB -0.636 36.761 38.460 -1.772 0.000 0.976 379 Y HN 0.445 nan 8.280 nan 0.000 0.505 380 Q N -0.647 118.723 119.800 -0.716 0.000 2.181 380 Q HA -0.163 4.177 4.340 -0.000 0.000 0.205 380 Q C 1.754 177.500 176.000 -0.424 0.000 0.980 380 Q CA 1.339 56.786 55.803 -0.594 0.000 0.862 380 Q CB -0.152 28.461 28.738 -0.208 0.000 0.905 380 Q HN 0.396 nan 8.270 nan 0.000 0.429 381 L N -1.275 119.754 121.223 -0.323 0.000 2.554 381 L HA 0.120 4.459 4.340 -0.000 0.000 0.226 381 L C 1.163 177.894 176.870 -0.231 0.000 1.137 381 L CA 1.429 56.135 54.840 -0.222 0.000 0.863 381 L CB -0.130 41.838 42.059 -0.151 0.000 0.985 381 L HN 0.353 nan 8.230 nan 0.000 0.451 382 G N -0.104 108.503 108.800 -0.323 0.000 2.145 382 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.176 382 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.176 382 G C -0.376 174.407 174.900 -0.196 0.000 1.013 382 G CA 0.087 45.033 45.100 -0.256 0.000 0.689 382 G HN 0.163 nan 8.290 nan 0.000 0.506 383 L N 1.036 122.123 121.223 -0.227 0.000 2.372 383 L HA 0.747 5.087 4.340 -0.000 0.000 0.274 383 L C -0.109 176.624 176.870 -0.229 0.000 0.988 383 L CA -1.081 53.655 54.840 -0.174 0.000 0.833 383 L CB 2.134 44.115 42.059 -0.129 0.000 1.236 383 L HN 0.075 nan 8.230 nan 0.000 0.410 384 V N 6.032 125.831 119.914 -0.192 0.000 2.368 384 V HA 0.539 4.659 4.120 -0.000 0.000 0.266 384 V C -0.200 175.666 176.094 -0.380 0.000 1.045 384 V CA -0.291 61.859 62.300 -0.251 0.000 0.899 384 V CB 1.164 32.894 31.823 -0.155 0.000 1.006 384 V HN 0.577 nan 8.190 nan 0.000 0.470 385 V N 6.977 126.629 119.914 -0.437 0.000 2.808 385 V HA 0.648 4.768 4.120 -0.000 0.000 0.308 385 V C -1.498 174.247 176.094 -0.581 0.000 1.099 385 V CA -0.524 61.450 62.300 -0.544 0.000 0.920 385 V CB 2.306 33.926 31.823 -0.339 0.000 1.014 385 V HN 0.735 nan 8.190 nan 0.000 0.425 386 Y N 5.152 125.167 120.300 -0.475 0.000 2.567 386 Y HA 0.705 5.254 4.550 -0.001 0.000 0.333 386 Y C -0.196 175.386 175.900 -0.530 0.000 1.106 386 Y CA -0.849 56.800 58.100 -0.752 0.000 1.157 386 Y CB 1.601 39.416 38.460 -1.076 0.000 1.277 386 Y HN 0.780 nan 8.280 nan 0.000 0.490 387 Y N -1.211 118.882 120.300 -0.345 0.000 2.534 387 Y HA 0.874 5.423 4.550 -0.000 0.000 0.329 387 Y C -1.123 174.878 175.900 0.167 0.000 1.154 387 Y CA -1.251 56.786 58.100 -0.103 0.000 1.192 387 Y CB 1.124 39.541 38.460 -0.072 0.000 1.275 387 Y HN 0.486 nan 8.280 nan 0.000 0.491 388 V N 0.234 120.368 119.914 0.367 0.000 3.103 388 V HA 0.919 5.039 4.120 -0.000 0.000 0.311 388 V C -0.049 176.051 176.094 0.010 0.000 1.322 388 V CA -0.125 62.281 62.300 0.175 0.000 1.063 388 V CB 1.801 33.726 31.823 0.170 0.000 1.090 388 V HN 1.651 nan 8.190 nan 0.000 0.462 389 G N 1.037 109.704 108.800 -0.222 0.000 2.555 389 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.686 389 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.686 389 G C -0.080 174.699 174.900 -0.203 0.000 1.275 389 G CA -0.045 44.953 45.100 -0.170 0.000 0.871 389 G HN 0.756 nan 8.290 nan 0.000 0.603 390 M N 0.383 119.903 119.600 -0.133 0.000 2.117 390 M HA -0.030 4.450 4.480 -0.000 0.000 0.262 390 M C 1.674 177.936 176.300 -0.062 0.000 1.065 390 M CA 1.620 56.861 55.300 -0.098 0.000 1.114 390 M CB -0.851 31.718 32.600 -0.051 0.000 1.361 390 M HN 0.562 nan 8.290 nan 0.000 0.408 391 N N -0.139 118.536 118.700 -0.043 0.000 2.214 391 N HA 0.189 4.929 4.740 -0.000 0.000 0.214 391 N C 0.783 176.263 175.510 -0.049 0.000 1.132 391 N CA 0.637 53.671 53.050 -0.027 0.000 0.856 391 N CB 0.750 39.232 38.487 -0.009 0.000 1.020 391 N HN 0.564 nan 8.380 nan 0.000 0.509 392 G N 2.878 111.647 108.800 -0.053 0.000 2.249 392 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.273 392 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.273 392 G C 0.420 175.141 174.900 -0.299 0.000 1.036 392 G CA 0.604 45.638 45.100 -0.110 0.000 0.824 392 G HN 0.568 nan 8.290 nan 0.000 0.504 393 N N -1.138 117.487 118.700 -0.124 0.000 2.291 393 N HA 0.252 4.991 4.740 -0.000 0.000 0.244 393 N C -0.255 175.235 175.510 -0.035 0.000 1.216 393 N CA 0.157 53.147 53.050 -0.100 0.000 0.879 393 N CB 0.803 39.264 38.487 -0.043 0.000 1.167 393 N HN 0.318 nan 8.380 nan 0.000 0.515 394 V N 1.761 121.676 119.914 0.003 0.000 2.407 394 V HA 0.384 4.504 4.120 -0.000 0.000 0.291 394 V C 0.176 176.286 176.094 0.026 0.000 1.018 394 V CA -0.846 61.463 62.300 0.015 0.000 0.842 394 V CB 1.835 33.658 31.823 0.001 0.000 0.996 394 V HN 0.115 nan 8.190 nan 0.000 0.426 395 L N 4.035 125.239 121.223 -0.031 0.000 2.410 395 L HA 0.452 4.792 4.340 -0.000 0.000 0.273 395 L C 0.429 177.068 176.870 -0.384 0.000 1.152 395 L CA 0.252 54.961 54.840 -0.220 0.000 0.855 395 L CB 0.570 42.485 42.059 -0.240 0.000 1.129 395 L HN 0.661 nan 8.230 nan 0.000 0.463 396 E N 2.997 122.890 120.200 -0.512 0.000 2.165 396 E HA 0.420 4.770 4.350 -0.000 0.000 0.266 396 E C -1.606 174.656 176.600 -0.563 0.000 0.889 396 E CA -0.643 55.544 56.400 -0.356 0.000 0.756 396 E CB 1.160 30.822 29.700 -0.063 0.000 1.131 396 E HN 0.307 nan 8.360 nan 0.000 0.411 397 F N 2.288 122.232 119.950 -0.010 0.000 2.382 397 F HA 0.260 4.786 4.527 -0.001 0.000 0.361 397 F C 0.297 176.087 175.800 -0.018 0.000 1.109 397 F CA -0.695 57.284 58.000 -0.035 0.000 1.031 397 F CB 1.859 40.842 39.000 -0.029 0.000 1.234 397 F HN 0.225 nan 8.300 nan 0.000 0.445 398 T N 1.075 115.688 114.554 0.099 0.000 3.542 398 T HA 0.346 4.695 4.350 -0.000 0.000 0.276 398 T C -2.955 171.769 174.700 0.039 0.000 1.412 398 T CA -2.150 59.997 62.100 0.078 0.000 1.664 398 T CB 0.451 69.372 68.868 0.090 0.000 0.863 398 T HN 0.091 nan 8.240 nan 0.000 0.661 399 P HA 0.340 nan 4.420 nan 0.000 0.274 399 P C -2.699 174.584 177.300 -0.028 0.000 1.246 399 P CA -1.619 61.481 63.100 0.000 0.000 0.795 399 P CB -0.403 31.300 31.700 0.005 0.000 1.006 400 P HA -0.000 nan 4.420 nan 0.000 0.263 400 P C 1.043 178.307 177.300 -0.060 0.000 1.168 400 P CA 0.620 63.660 63.100 -0.100 0.000 0.759 400 P CB 0.086 31.696 31.700 -0.149 0.000 0.782 401 L N 1.950 123.139 121.223 -0.057 0.000 2.465 401 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 401 L C 1.720 178.569 176.870 -0.034 0.000 1.145 401 L CA 1.524 56.340 54.840 -0.040 0.000 0.834 401 L CB -0.944 41.090 42.059 -0.042 0.000 0.944 401 L HN 0.467 nan 8.230 nan 0.000 0.451 402 T N -3.023 111.511 114.554 -0.033 0.000 3.163 402 T HA 0.185 4.534 4.350 -0.000 0.000 0.252 402 T C 0.685 175.381 174.700 -0.006 0.000 1.056 402 T CA -0.358 61.740 62.100 -0.002 0.000 0.947 402 T CB -0.236 68.662 68.868 0.050 0.000 1.016 402 T HN 0.092 nan 8.240 nan 0.000 0.554 403 I N 4.310 124.864 120.570 -0.026 0.000 2.826 403 I HA 0.060 4.230 4.170 -0.000 0.000 0.295 403 I C 0.859 176.953 176.117 -0.037 0.000 1.213 403 I CA 0.121 61.403 61.300 -0.031 0.000 1.436 403 I CB 0.679 38.655 38.000 -0.039 0.000 1.348 403 I HN 0.387 nan 8.210 nan 0.000 0.570 404 T N 2.151 116.683 114.554 -0.037 0.000 2.882 404 T HA 0.166 4.515 4.350 -0.000 0.000 0.287 404 T C 0.980 175.624 174.700 -0.092 0.000 1.014 404 T CA -0.137 61.935 62.100 -0.046 0.000 1.049 404 T CB 1.469 70.320 68.868 -0.028 0.000 1.001 404 T HN 0.791 nan 8.240 nan 0.000 0.525 405 E N 1.300 121.432 120.200 -0.113 0.000 2.118 405 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 405 E C 1.734 178.151 176.600 -0.305 0.000 0.992 405 E CA 1.817 58.076 56.400 -0.236 0.000 0.804 405 E CB -0.839 28.765 29.700 -0.160 0.000 0.741 405 E HN 0.730 nan 8.360 nan 0.000 0.458 406 T N 0.959 115.460 114.554 -0.089 0.000 2.720 406 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 406 T C 1.208 175.895 174.700 -0.023 0.000 1.037 406 T CA 1.440 63.543 62.100 0.005 0.000 1.144 406 T CB -0.410 68.476 68.868 0.029 0.000 0.864 406 T HN 0.270 nan 8.240 nan 0.000 0.444 407 D N 0.754 121.123 120.400 -0.051 0.000 2.144 407 D HA -0.004 4.636 4.640 -0.000 0.000 0.199 407 D C 2.049 178.310 176.300 -0.065 0.000 0.984 407 D CA 0.763 54.738 54.000 -0.042 0.000 0.834 407 D CB -0.267 40.511 40.800 -0.036 0.000 0.955 407 D HN 0.377 nan 8.370 nan 0.000 0.465 408 I N 0.667 121.153 120.570 -0.140 0.000 2.252 408 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 408 I C 2.340 178.383 176.117 -0.123 0.000 1.102 408 I CA 0.884 62.082 61.300 -0.170 0.000 1.385 408 I CB -0.154 37.692 38.000 -0.256 0.000 1.064 408 I HN 0.063 nan 8.210 nan 0.000 0.414 409 H N 0.815 119.867 119.070 -0.031 0.000 2.321 409 H HA -0.189 4.367 4.556 0.000 0.000 0.300 409 H C 2.160 177.474 175.328 -0.022 0.000 1.087 409 H CA 1.406 57.437 56.048 -0.027 0.000 1.319 409 H CB -0.430 29.318 29.762 -0.022 0.000 1.379 409 H HN 0.264 nan 8.280 nan 0.000 0.501 410 K N 0.648 121.104 120.400 0.094 0.000 2.063 410 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 410 K C 2.349 178.960 176.600 0.019 0.000 1.048 410 K CA 1.156 57.468 56.287 0.042 0.000 0.928 410 K CB -0.047 32.465 32.500 0.020 0.000 0.713 410 K HN 0.198 nan 8.250 nan 0.000 0.442 411 A N 1.142 123.965 122.820 0.004 0.000 1.940 411 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 411 A C 2.086 179.679 177.584 0.015 0.000 1.176 411 A CA 1.328 53.364 52.037 -0.002 0.000 0.631 411 A CB -0.558 18.434 19.000 -0.014 0.000 0.814 411 A HN 0.321 nan 8.150 nan 0.000 0.446 412 L N -0.871 120.363 121.223 0.019 0.000 2.093 412 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 412 L C 2.397 179.301 176.870 0.057 0.000 1.085 412 L CA 1.688 56.548 54.840 0.033 0.000 0.755 412 L CB -0.513 41.567 42.059 0.036 0.000 0.904 412 L HN 0.452 nan 8.230 nan 0.000 0.435 413 D N 0.272 120.702 120.400 0.049 0.000 2.117 413 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 413 D C 2.285 178.610 176.300 0.041 0.000 0.982 413 D CA 1.158 55.184 54.000 0.044 0.000 0.828 413 D CB 0.035 40.852 40.800 0.029 0.000 0.967 413 D HN 0.177 nan 8.370 nan 0.000 0.464 414 L N 0.078 121.315 121.223 0.022 0.000 2.141 414 L HA -0.077 4.262 4.340 -0.000 0.000 0.209 414 L C 2.554 179.433 176.870 0.015 0.000 1.094 414 L CA 0.419 55.259 54.840 -0.000 0.000 0.763 414 L CB -0.290 41.750 42.059 -0.032 0.000 0.908 414 L HN 0.245 nan 8.230 nan 0.000 0.437 415 L N -0.148 121.109 121.223 0.058 0.000 2.072 415 L HA -0.212 4.128 4.340 -0.000 0.000 0.205 415 L C 2.235 179.240 176.870 0.224 0.000 1.079 415 L CA 1.523 56.432 54.840 0.115 0.000 0.752 415 L CB -0.231 41.934 42.059 0.178 0.000 0.906 415 L HN 0.315 nan 8.230 nan 0.000 0.436 416 D N 0.080 120.603 120.400 0.207 0.000 2.104 416 D HA -0.278 4.362 4.640 -0.000 0.000 0.194 416 D C 2.240 178.654 176.300 0.191 0.000 0.994 416 D CA 1.414 55.563 54.000 0.249 0.000 0.830 416 D CB 0.052 40.963 40.800 0.185 0.000 0.959 416 D HN 0.058 nan 8.370 nan 0.000 0.452 417 R N -0.423 120.142 120.500 0.108 0.000 2.096 417 R HA -0.008 4.332 4.340 -0.000 0.000 0.235 417 R C 2.122 178.439 176.300 0.029 0.000 1.127 417 R CA 1.408 57.545 56.100 0.062 0.000 0.968 417 R CB -0.265 30.050 30.300 0.025 0.000 0.861 417 R HN 0.201 nan 8.270 nan 0.000 0.440 418 A N -0.565 122.251 122.820 -0.006 0.000 1.968 418 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 418 A C 1.854 179.345 177.584 -0.155 0.000 1.169 418 A CA 0.760 52.740 52.037 -0.094 0.000 0.638 418 A CB -0.504 18.402 19.000 -0.156 0.000 0.812 418 A HN 0.369 nan 8.150 nan 0.000 0.446 419 F N 0.582 120.421 119.950 -0.184 0.000 2.186 419 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 419 F C 2.712 178.378 175.800 -0.224 0.000 1.090 419 F CA 1.714 59.510 58.000 -0.341 0.000 1.307 419 F CB 0.007 38.460 39.000 -0.912 0.000 1.019 419 F HN 0.151 nan 8.300 nan 0.000 0.489 420 S N -0.935 114.812 115.700 0.078 0.000 2.428 420 S HA -0.103 4.367 4.470 -0.000 0.000 0.230 420 S C 1.247 175.889 174.600 0.070 0.000 1.014 420 S CA 0.870 59.147 58.200 0.129 0.000 0.957 420 S CB -0.221 63.074 63.200 0.158 0.000 0.784 420 S HN 0.398 nan 8.310 nan 0.000 0.499 421 E N 0.438 120.657 120.200 0.032 0.000 2.496 421 E HA 0.258 4.608 4.350 -0.000 0.000 0.200 421 E C 1.200 177.802 176.600 0.003 0.000 1.016 421 E CA -0.187 56.223 56.400 0.017 0.000 0.962 421 E CB 0.189 29.894 29.700 0.008 0.000 1.071 421 E HN 0.321 nan 8.360 nan 0.000 0.457 422 L N 0.908 122.129 121.223 -0.004 0.000 2.093 422 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 422 L C 2.264 179.134 176.870 0.000 0.000 1.085 422 L CA 1.581 56.409 54.840 -0.019 0.000 0.755 422 L CB -0.082 41.955 42.059 -0.037 0.000 0.904 422 L HN 0.153 nan 8.230 nan 0.000 0.435 423 S N -0.204 115.503 115.700 0.012 0.000 2.469 423 S HA -0.102 4.368 4.470 -0.000 0.000 0.238 423 S C 2.050 176.655 174.600 0.008 0.000 0.998 423 S CA 0.670 58.877 58.200 0.013 0.000 0.957 423 S CB -0.677 62.535 63.200 0.020 0.000 0.764 423 S HN 0.500 nan 8.310 nan 0.000 0.514 424 A N 1.226 124.052 122.820 0.011 0.000 2.076 424 A HA 0.150 4.470 4.320 -0.000 0.000 0.220 424 A C 1.080 178.667 177.584 0.005 0.000 1.160 424 A CA 0.912 52.956 52.037 0.012 0.000 0.653 424 A CB -0.754 18.257 19.000 0.018 0.000 0.801 424 A HN 0.453 nan 8.150 nan 0.000 0.455 425 V N 2.209 122.120 119.914 -0.005 0.000 2.389 425 V HA 0.262 4.381 4.120 -0.000 0.000 0.264 425 V C 0.814 176.872 176.094 -0.060 0.000 1.049 425 V CA -0.052 62.220 62.300 -0.046 0.000 0.932 425 V CB 0.432 32.221 31.823 -0.057 0.000 1.011 425 V HN 0.544 nan 8.190 nan 0.000 0.475 426 S N 4.301 119.960 115.700 -0.069 0.000 2.585 426 S HA 0.150 4.620 4.470 -0.000 0.000 0.273 426 S C 1.046 175.609 174.600 -0.062 0.000 1.339 426 S CA -0.540 57.630 58.200 -0.049 0.000 1.028 426 S CB 0.583 63.763 63.200 -0.032 0.000 0.906 426 S HN 0.663 nan 8.310 nan 0.000 0.528 427 N N 1.632 120.313 118.700 -0.032 0.000 2.364 427 N HA -0.147 4.593 4.740 -0.000 0.000 0.183 427 N C 1.700 177.199 175.510 -0.018 0.000 1.022 427 N CA 1.580 54.618 53.050 -0.019 0.000 0.883 427 N CB -0.292 38.193 38.487 -0.004 0.000 0.965 427 N HN 0.980 nan 8.380 nan 0.000 0.438 428 E N 0.956 121.142 120.200 -0.023 0.000 2.230 428 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 428 E C 1.513 178.099 176.600 -0.024 0.000 0.987 428 E CA 0.646 57.036 56.400 -0.018 0.000 0.841 428 E CB -0.109 29.584 29.700 -0.012 0.000 0.783 428 E HN 0.260 nan 8.360 nan 0.000 0.481 429 E N 0.165 120.331 120.200 -0.057 0.000 2.077 429 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 429 E C 1.873 178.433 176.600 -0.066 0.000 0.989 429 E CA 1.077 57.419 56.400 -0.096 0.000 0.800 429 E CB -0.020 29.518 29.700 -0.270 0.000 0.746 429 E HN 0.288 nan 8.360 nan 0.000 0.452 430 I N 0.555 121.070 120.570 -0.091 0.000 2.394 430 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 430 I C 1.998 178.214 176.117 0.165 0.000 1.136 430 I CA 0.854 62.192 61.300 0.063 0.000 1.425 430 I CB -0.126 37.894 38.000 0.033 0.000 1.079 430 I HN 0.000 nan 8.210 nan 0.000 0.425 431 A N -0.715 122.147 122.820 0.070 0.000 2.209 431 A HA -0.125 4.195 4.320 -0.000 0.000 0.212 431 A C 1.982 179.555 177.584 -0.018 0.000 1.158 431 A CA 0.711 52.774 52.037 0.042 0.000 0.742 431 A CB -0.396 18.611 19.000 0.013 0.000 0.790 431 A HN 0.405 nan 8.150 nan 0.000 0.472 432 Q N -1.021 118.735 119.800 -0.073 0.000 2.364 432 Q HA 0.019 4.359 4.340 -0.000 0.000 0.207 432 Q C -0.709 174.912 176.000 -0.632 0.000 0.970 432 Q CA 0.778 56.345 55.803 -0.392 0.000 0.888 432 Q CB -0.200 28.177 28.738 -0.603 0.000 0.951 432 Q HN 0.700 nan 8.270 nan 0.000 0.469 433 F N -0.873 119.115 119.950 0.064 0.000 2.496 433 F HA 0.446 4.972 4.527 -0.000 0.000 0.341 433 F C 0.848 176.648 175.800 0.001 0.000 1.134 433 F CA -0.690 57.328 58.000 0.030 0.000 0.968 433 F CB 1.267 40.312 39.000 0.075 0.000 1.205 433 F HN -0.183 nan 8.300 nan 0.000 0.436 434 A N 2.897 125.752 122.820 0.059 0.000 2.019 434 A HA 0.287 4.607 4.320 -0.000 0.000 0.219 434 A C 1.925 179.520 177.584 0.019 0.000 1.164 434 A CA 1.341 53.391 52.037 0.021 0.000 0.644 434 A CB -1.146 17.833 19.000 -0.035 0.000 0.805 434 A HN 1.256 nan 8.150 nan 0.000 0.449 435 G N -1.597 107.116 108.800 -0.144 0.000 2.596 435 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.295 435 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.295 435 G C 0.173 174.892 174.900 -0.303 0.000 1.240 435 G CA 0.382 45.252 45.100 -0.383 0.000 0.985 435 G HN 0.683 nan 8.290 nan 0.000 0.555 436 W N 0.000 121.264 121.300 -0.060 0.000 2.388 436 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 436 W CA 0.000 57.338 57.345 -0.012 0.000 1.226 436 W CB 0.000 29.522 29.460 0.103 0.000 1.126 436 W HN 0.000 nan 8.180 nan 0.000 0.535