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 3dlx_1_C DATA FIRST_RESID 40 DATA SEQUENCE TKFYTDPVEA VKDIPDGATV LVGGFGLCGI PENLIDALLK TGVKGLTAVS DATA SEQUENCE NNAGVDNFGL GLLLRSKQIK RMVSSYVGEN AEFERQYLSG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTPT GYGTLVQEGG SPIKYNKDGS VAIASKPREV DATA SEQUENCE REFNGQHFIL EEAITGDFAL VKAWKADRAG NVIFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGAFAPEDI HIPQIYVHRL IKGEKYEKRI ERLSIRXXXX DATA SEQUENCE XXXXXXXXXD DVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNITV DATA SEQUENCE HLQSENGVLG LGPYPRQHEA DADLINAGKE TVTILPGASF FSSDESFAMI DATA SEQUENCE RGGHVDLTML GAMQVSKYGD LANWMIPGKM VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD KKKGLTLIEL DATA SEQUENCE WEGLTVDDVQ KSTGCDFAVS PKLMPMQQIA 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 40 T HA 0.000 nan 4.350 nan 0.000 0.228 40 T C 0.000 174.767 174.700 0.112 0.000 1.109 40 T CA 0.000 62.143 62.100 0.072 0.000 1.349 40 T CB 0.000 68.856 68.868 -0.021 0.000 0.612 41 K N 2.584 123.037 120.400 0.089 0.000 2.213 41 K HA 0.671 4.991 4.320 -0.000 0.000 0.270 41 K C -1.121 175.493 176.600 0.024 0.000 1.002 41 K CA -0.659 55.681 56.287 0.087 0.000 0.868 41 K CB 0.579 33.106 32.500 0.045 0.000 1.093 41 K HN 0.367 nan 8.250 nan 0.000 0.454 42 F N 3.603 123.499 119.950 -0.090 0.000 2.394 42 F HA 0.335 4.862 4.527 -0.000 0.000 0.340 42 F C -0.437 175.247 175.800 -0.192 0.000 1.105 42 F CA -0.155 57.835 58.000 -0.017 0.000 1.124 42 F CB 0.733 39.727 39.000 -0.010 0.000 1.145 42 F HN 0.400 nan 8.300 nan 0.000 0.505 43 Y N -0.350 120.054 120.300 0.174 0.000 2.462 43 Y HA 0.316 4.866 4.550 -0.000 0.000 0.346 43 Y C 1.037 177.006 175.900 0.114 0.000 0.976 43 Y CA -0.939 57.232 58.100 0.119 0.000 1.044 43 Y CB 2.042 40.548 38.460 0.076 0.000 1.230 43 Y HN 0.616 nan 8.280 nan 0.000 0.455 44 T N -3.501 111.187 114.554 0.224 0.000 3.037 44 T HA 0.083 4.433 4.350 -0.000 0.000 0.251 44 T C -0.060 174.717 174.700 0.129 0.000 1.079 44 T CA 0.292 62.483 62.100 0.151 0.000 1.067 44 T CB 0.117 69.044 68.868 0.098 0.000 0.948 44 T HN 0.437 nan 8.240 nan 0.000 0.496 45 D N 2.319 122.813 120.400 0.155 0.000 2.381 45 D HA 0.361 5.001 4.640 -0.000 0.000 0.235 45 D C -1.757 174.592 176.300 0.081 0.000 1.068 45 D CA -2.650 51.411 54.000 0.102 0.000 0.832 45 D CB 2.371 43.228 40.800 0.095 0.000 1.101 45 D HN -0.064 nan 8.370 nan 0.000 0.515 46 P HA -0.126 nan 4.420 nan 0.000 0.217 46 P C 1.579 178.847 177.300 -0.053 0.000 1.150 46 P CA 0.449 63.540 63.100 -0.015 0.000 0.832 46 P CB 0.458 32.146 31.700 -0.020 0.000 0.787 47 V N 0.397 120.291 119.914 -0.032 0.000 2.407 47 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 47 V C 2.686 178.753 176.094 -0.045 0.000 1.055 47 V CA 1.981 64.256 62.300 -0.043 0.000 1.049 47 V CB -1.296 30.513 31.823 -0.023 0.000 0.662 47 V HN 0.099 nan 8.190 nan 0.000 0.455 48 E N 0.642 120.839 120.200 -0.004 0.000 2.110 48 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 48 E C 2.158 178.668 176.600 -0.149 0.000 0.988 48 E CA 1.471 57.892 56.400 0.036 0.000 0.804 48 E CB -0.431 29.391 29.700 0.203 0.000 0.745 48 E HN 0.559 nan 8.360 nan 0.000 0.458 49 A N -0.248 122.343 122.820 -0.381 0.000 2.067 49 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 49 A C 1.958 179.347 177.584 -0.325 0.000 1.158 49 A CA 1.593 53.188 52.037 -0.736 0.000 0.661 49 A CB -0.170 18.471 19.000 -0.599 0.000 0.801 49 A HN 0.312 nan 8.150 nan 0.000 0.452 50 V N -3.422 116.371 119.914 -0.201 0.000 3.346 50 V HA 0.234 4.354 4.120 -0.000 0.000 0.309 50 V C 1.480 177.462 176.094 -0.186 0.000 1.457 50 V CA 0.655 62.840 62.300 -0.193 0.000 1.069 50 V CB -0.370 31.343 31.823 -0.184 0.000 0.944 50 V HN 0.495 nan 8.190 nan 0.000 0.449 51 K N 2.601 122.933 120.400 -0.112 0.000 2.360 51 K HA -0.178 4.142 4.320 -0.000 0.000 0.201 51 K C 1.198 177.758 176.600 -0.067 0.000 1.046 51 K CA 2.011 58.255 56.287 -0.072 0.000 0.945 51 K CB -0.093 32.393 32.500 -0.024 0.000 0.750 51 K HN 0.706 nan 8.250 nan 0.000 0.464 52 D N 0.467 120.828 120.400 -0.064 0.000 2.440 52 D HA 0.043 4.683 4.640 -0.000 0.000 0.216 52 D C 0.398 176.659 176.300 -0.065 0.000 1.150 52 D CA -0.428 53.568 54.000 -0.008 0.000 0.832 52 D CB -0.300 40.555 40.800 0.092 0.000 0.992 52 D HN 0.198 nan 8.370 nan 0.000 0.502 53 I N 2.908 123.258 120.570 -0.367 0.000 2.662 53 I HA 0.070 4.240 4.170 -0.000 0.000 0.285 53 I C -1.806 174.195 176.117 -0.192 0.000 1.161 53 I CA -1.069 59.899 61.300 -0.552 0.000 1.415 53 I CB 0.186 37.710 38.000 -0.793 0.000 1.385 53 I HN -0.111 nan 8.210 nan 0.000 0.552 54 P HA 0.192 nan 4.420 nan 0.000 0.279 54 P C -0.887 176.399 177.300 -0.024 0.000 1.252 54 P CA -0.574 62.518 63.100 -0.013 0.000 0.811 54 P CB 0.874 32.601 31.700 0.044 0.000 1.035 55 D N 0.406 120.795 120.400 -0.018 0.000 2.472 55 D HA 0.229 4.869 4.640 -0.000 0.000 0.237 55 D C 1.579 177.878 176.300 -0.002 0.000 1.141 55 D CA 1.694 55.684 54.000 -0.016 0.000 0.875 55 D CB -0.112 40.681 40.800 -0.012 0.000 1.192 55 D HN 0.734 nan 8.370 nan 0.000 0.450 56 G N 0.778 109.577 108.800 -0.002 0.000 2.159 56 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.256 56 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.256 56 G C 0.506 175.420 174.900 0.024 0.000 0.977 56 G CA 0.311 45.417 45.100 0.009 0.000 0.652 56 G HN 0.839 nan 8.290 nan 0.000 0.531 57 A N -0.047 122.790 122.820 0.028 0.000 2.386 57 A HA 0.651 4.971 4.320 -0.000 0.000 0.248 57 A C 0.764 178.385 177.584 0.061 0.000 1.082 57 A CA 1.099 53.177 52.037 0.069 0.000 0.789 57 A CB 0.367 19.421 19.000 0.090 0.000 1.025 57 A HN 0.788 nan 8.150 nan 0.000 0.490 58 T N 1.771 116.376 114.554 0.085 0.000 2.743 58 T HA 0.479 4.829 4.350 -0.000 0.000 0.293 58 T C -0.390 174.373 174.700 0.104 0.000 0.945 58 T CA -0.110 62.032 62.100 0.071 0.000 1.030 58 T CB 0.423 69.326 68.868 0.058 0.000 0.912 58 T HN 0.430 nan 8.240 nan 0.000 0.483 59 V N 5.551 125.510 119.914 0.076 0.000 2.483 59 V HA 0.386 4.506 4.120 -0.000 0.000 0.297 59 V C -0.093 176.036 176.094 0.059 0.000 1.027 59 V CA -0.991 61.365 62.300 0.094 0.000 0.855 59 V CB 1.584 33.439 31.823 0.053 0.000 0.995 59 V HN 0.758 nan 8.190 nan 0.000 0.424 60 L N 5.199 126.466 121.223 0.073 0.000 2.319 60 L HA 0.571 4.911 4.340 -0.000 0.000 0.280 60 L C -0.506 176.391 176.870 0.045 0.000 1.099 60 L CA -0.460 54.408 54.840 0.047 0.000 0.828 60 L CB 1.146 43.241 42.059 0.060 0.000 1.150 60 L HN 0.353 nan 8.230 nan 0.000 0.442 61 V N 2.469 122.392 119.914 0.014 0.000 2.407 61 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 61 V C 0.771 176.878 176.094 0.021 0.000 1.018 61 V CA -0.621 61.688 62.300 0.016 0.000 0.842 61 V CB 1.455 33.273 31.823 -0.009 0.000 0.996 61 V HN 0.899 nan 8.190 nan 0.000 0.426 62 G N 2.536 111.375 108.800 0.065 0.000 2.636 62 G HA2 0.595 4.554 3.960 -0.000 0.000 0.246 62 G HA3 0.595 4.554 3.960 -0.000 0.000 0.246 62 G C 0.260 175.221 174.900 0.101 0.000 1.216 62 G CA 0.417 45.581 45.100 0.107 0.000 0.854 62 G HN 1.636 nan 8.290 nan 0.000 0.572 63 G N -1.566 107.333 108.800 0.165 0.000 2.402 63 G HA2 0.404 4.363 3.960 -0.000 0.000 0.666 63 G HA3 0.404 4.363 3.960 -0.000 0.000 0.666 63 G C -1.292 173.770 174.900 0.270 0.000 1.402 63 G CA -0.519 44.689 45.100 0.180 0.000 0.920 63 G HN 1.335 nan 8.290 nan 0.000 0.651 64 F N 2.487 122.514 119.950 0.128 0.000 2.553 64 F HA 0.608 5.135 4.527 -0.000 0.000 0.335 64 F C 0.991 176.853 175.800 0.103 0.000 1.148 64 F CA 1.364 59.450 58.000 0.143 0.000 0.963 64 F CB 1.271 40.374 39.000 0.172 0.000 1.217 64 F HN 2.229 nan 8.300 nan 0.000 0.441 65 G N 5.015 113.645 108.800 -0.282 0.000 2.591 65 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.298 65 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.298 65 G C 0.460 175.386 174.900 0.043 0.000 1.195 65 G CA 0.348 45.369 45.100 -0.132 0.000 0.989 65 G HN 0.788 nan 8.290 nan 0.000 0.551 66 L N 0.404 121.694 121.223 0.112 0.000 2.628 66 L HA 0.291 4.631 4.340 -0.000 0.000 0.229 66 L C 1.353 178.342 176.870 0.198 0.000 1.137 66 L CA -0.079 54.881 54.840 0.200 0.000 0.909 66 L CB 0.386 42.566 42.059 0.202 0.000 1.137 66 L HN 0.537 nan 8.230 nan 0.000 0.470 67 C N 1.512 120.920 119.300 0.180 0.000 2.303 67 C HA 0.594 5.054 4.460 -0.000 0.000 0.341 67 C C 1.477 176.559 174.990 0.154 0.000 1.244 67 C CA 0.244 59.356 59.018 0.157 0.000 1.765 67 C CB -0.899 26.942 27.740 0.170 0.000 2.379 67 C HN 0.816 nan 8.230 nan 0.000 0.530 68 G N 6.595 115.465 108.800 0.118 0.000 2.204 68 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.244 68 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.244 68 G C -0.275 174.706 174.900 0.135 0.000 1.062 68 G CA -0.184 44.988 45.100 0.120 0.000 0.798 68 G HN 0.683 nan 8.290 nan 0.000 0.496 69 I N 1.687 122.340 120.570 0.138 0.000 2.352 69 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 69 I C -1.605 174.574 176.117 0.103 0.000 1.036 69 I CA -3.036 58.324 61.300 0.101 0.000 1.336 69 I CB 0.985 39.042 38.000 0.095 0.000 1.407 69 I HN -0.045 nan 8.210 nan 0.000 0.497 70 P HA 0.081 nan 4.420 nan 0.000 0.249 70 P C 0.551 177.874 177.300 0.037 0.000 1.737 70 P CA -0.070 63.087 63.100 0.096 0.000 1.128 70 P CB -0.285 31.459 31.700 0.073 0.000 1.942 71 E N 1.522 121.757 120.200 0.058 0.000 2.152 71 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 71 E C 1.173 177.724 176.600 -0.081 0.000 0.983 71 E CA 0.605 56.954 56.400 -0.086 0.000 0.818 71 E CB -0.486 29.162 29.700 -0.087 0.000 0.758 71 E HN 0.240 nan 8.360 nan 0.000 0.467 72 N N 1.007 119.678 118.700 -0.048 0.000 2.216 72 N HA -0.049 4.691 4.740 -0.000 0.000 0.183 72 N C 2.050 177.530 175.510 -0.052 0.000 1.017 72 N CA 0.961 53.960 53.050 -0.085 0.000 0.861 72 N CB -0.012 38.400 38.487 -0.125 0.000 0.986 72 N HN 0.261 nan 8.380 nan 0.000 0.428 73 L N 0.774 121.983 121.223 -0.024 0.000 2.156 73 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 73 L C 2.185 179.023 176.870 -0.054 0.000 1.095 73 L CA 0.601 55.422 54.840 -0.032 0.000 0.770 73 L CB -0.282 41.773 42.059 -0.006 0.000 0.914 73 L HN 0.054 nan 8.230 nan 0.000 0.439 74 I N 0.125 120.657 120.570 -0.063 0.000 2.315 74 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 74 I C 2.101 178.169 176.117 -0.081 0.000 1.117 74 I CA 1.489 62.740 61.300 -0.082 0.000 1.404 74 I CB -0.207 37.723 38.000 -0.117 0.000 1.071 74 I HN 0.261 nan 8.210 nan 0.000 0.419 75 D N 0.637 120.988 120.400 -0.081 0.000 2.144 75 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 75 D C 2.230 178.497 176.300 -0.056 0.000 0.978 75 D CA 1.264 55.224 54.000 -0.066 0.000 0.833 75 D CB 0.112 40.874 40.800 -0.064 0.000 0.961 75 D HN 0.301 nan 8.370 nan 0.000 0.470 76 A N -0.057 122.728 122.820 -0.058 0.000 1.877 76 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 76 A C 2.025 179.570 177.584 -0.066 0.000 1.186 76 A CA 1.003 53.005 52.037 -0.058 0.000 0.620 76 A CB -0.794 18.168 19.000 -0.063 0.000 0.822 76 A HN 0.292 nan 8.150 nan 0.000 0.443 77 L N -0.191 120.987 121.223 -0.075 0.000 2.079 77 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 77 L C 2.487 179.320 176.870 -0.062 0.000 1.081 77 L CA 1.386 56.178 54.840 -0.081 0.000 0.752 77 L CB -0.855 41.153 42.059 -0.086 0.000 0.896 77 L HN 0.386 nan 8.230 nan 0.000 0.433 78 L N -1.046 120.144 121.223 -0.053 0.000 2.043 78 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 78 L C 2.492 179.341 176.870 -0.035 0.000 1.075 78 L CA 1.471 56.287 54.840 -0.041 0.000 0.752 78 L CB -0.540 41.498 42.059 -0.036 0.000 0.891 78 L HN 0.242 nan 8.230 nan 0.000 0.432 79 K N -0.535 119.843 120.400 -0.037 0.000 2.103 79 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 79 K C 2.123 178.704 176.600 -0.033 0.000 1.052 79 K CA 1.784 58.052 56.287 -0.031 0.000 0.945 79 K CB -0.228 32.255 32.500 -0.028 0.000 0.722 79 K HN 0.446 nan 8.250 nan 0.000 0.443 80 T N -3.013 111.514 114.554 -0.045 0.000 2.985 80 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 80 T C 1.603 176.277 174.700 -0.044 0.000 1.076 80 T CA 0.738 62.809 62.100 -0.047 0.000 1.135 80 T CB -0.044 68.784 68.868 -0.068 0.000 0.890 80 T HN 0.328 nan 8.240 nan 0.000 0.480 81 G N 0.735 109.508 108.800 -0.045 0.000 2.162 81 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 81 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 81 G C 0.249 175.124 174.900 -0.042 0.000 0.976 81 G CA 0.115 45.193 45.100 -0.038 0.000 0.655 81 G HN 0.925 nan 8.290 nan 0.000 0.533 82 V N 1.770 121.650 119.914 -0.057 0.000 2.584 82 V HA 0.414 4.534 4.120 -0.000 0.000 0.303 82 V C 1.053 177.117 176.094 -0.050 0.000 1.035 82 V CA 1.251 63.514 62.300 -0.061 0.000 1.172 82 V CB 0.298 32.065 31.823 -0.094 0.000 0.896 82 V HN 1.043 nan 8.190 nan 0.000 0.486 83 K N 3.514 123.892 120.400 -0.037 0.000 2.313 83 K HA 0.842 5.162 4.320 -0.000 0.000 0.235 83 K C 1.056 177.643 176.600 -0.021 0.000 1.035 83 K CA -0.199 56.072 56.287 -0.027 0.000 0.868 83 K CB 0.850 33.338 32.500 -0.020 0.000 1.232 83 K HN 2.263 nan 8.250 nan 0.000 0.459 84 G N -0.601 108.190 108.800 -0.015 0.000 2.155 84 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.257 84 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.257 84 G C 0.002 174.898 174.900 -0.007 0.000 0.983 84 G CA 0.468 45.562 45.100 -0.009 0.000 0.676 84 G HN 0.646 nan 8.290 nan 0.000 0.528 85 L N 0.846 122.062 121.223 -0.011 0.000 2.456 85 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 85 L C 0.751 177.620 176.870 -0.001 0.000 1.189 85 L CA 0.164 54.999 54.840 -0.008 0.000 0.846 85 L CB 0.744 42.792 42.059 -0.019 0.000 1.111 85 L HN 0.083 nan 8.230 nan 0.000 0.475 86 T N 2.785 117.344 114.554 0.007 0.000 2.811 86 T HA 0.411 4.761 4.350 -0.000 0.000 0.309 86 T C 0.237 174.940 174.700 0.006 0.000 1.005 86 T CA -0.465 61.639 62.100 0.007 0.000 0.955 86 T CB 0.774 69.649 68.868 0.012 0.000 0.970 86 T HN 0.650 nan 8.240 nan 0.000 0.496 87 A N 3.942 126.761 122.820 -0.002 0.000 2.302 87 A HA 0.527 4.846 4.320 -0.000 0.000 0.295 87 A C 0.266 177.836 177.584 -0.024 0.000 1.235 87 A CA -0.559 51.473 52.037 -0.009 0.000 0.876 87 A CB 0.130 19.122 19.000 -0.013 0.000 1.133 87 A HN 0.666 nan 8.150 nan 0.000 0.533 88 V N 3.170 123.070 119.914 -0.024 0.000 2.353 88 V HA 0.489 4.609 4.120 -0.000 0.000 0.264 88 V C 0.507 176.544 176.094 -0.096 0.000 1.049 88 V CA 0.147 62.416 62.300 -0.053 0.000 0.896 88 V CB 0.399 32.206 31.823 -0.027 0.000 1.025 88 V HN 0.845 nan 8.190 nan 0.000 0.475 89 S N 3.456 119.065 115.700 -0.153 0.000 2.614 89 S HA 0.320 4.790 4.470 -0.000 0.000 0.275 89 S C 0.760 175.180 174.600 -0.298 0.000 1.161 89 S CA -0.666 57.415 58.200 -0.199 0.000 0.969 89 S CB 1.441 64.567 63.200 -0.124 0.000 1.059 89 S HN 0.748 nan 8.310 nan 0.000 0.482 90 N N 4.419 122.826 118.700 -0.489 0.000 2.094 90 N HA -0.073 4.667 4.740 -0.000 0.000 0.191 90 N C 0.246 175.598 175.510 -0.263 0.000 1.023 90 N CA 1.932 54.678 53.050 -0.506 0.000 0.857 90 N CB -0.070 38.043 38.487 -0.623 0.000 1.013 90 N HN 0.730 nan 8.380 nan 0.000 0.426 91 N N -2.423 116.141 118.700 -0.226 0.000 2.653 91 N HA 0.590 5.330 4.740 -0.000 0.000 0.294 91 N C -1.044 174.339 175.510 -0.211 0.000 1.305 91 N CA -0.331 52.593 53.050 -0.210 0.000 0.827 91 N CB 1.551 39.928 38.487 -0.183 0.000 1.415 91 N HN 0.066 nan 8.380 nan 0.000 0.546 92 A N 0.142 122.808 122.820 -0.257 0.000 2.630 92 A HA 0.626 4.946 4.320 -0.000 0.000 0.290 92 A C 0.981 178.503 177.584 -0.104 0.000 1.267 92 A CA 0.239 52.151 52.037 -0.209 0.000 0.950 92 A CB -1.185 17.569 19.000 -0.411 0.000 1.144 92 A HN 0.912 nan 8.150 nan 0.000 0.527 93 G N -0.450 108.306 108.800 -0.073 0.000 2.574 93 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.282 93 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.282 93 G C 0.433 175.344 174.900 0.017 0.000 1.257 93 G CA 0.957 46.057 45.100 0.001 0.000 0.956 93 G HN 1.819 nan 8.290 nan 0.000 0.560 94 V N -3.452 116.510 119.914 0.080 0.000 3.181 94 V HA 0.710 4.830 4.120 -0.000 0.000 0.314 94 V C 1.326 177.472 176.094 0.086 0.000 1.173 94 V CA 0.612 62.955 62.300 0.073 0.000 1.052 94 V CB 1.300 33.174 31.823 0.084 0.000 1.123 94 V HN 0.744 nan 8.190 nan 0.000 0.454 95 D N 1.813 122.259 120.400 0.076 0.000 2.127 95 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 95 D C 1.291 177.644 176.300 0.089 0.000 1.000 95 D CA 2.676 56.721 54.000 0.076 0.000 0.839 95 D CB -0.028 40.809 40.800 0.062 0.000 0.955 95 D HN 0.929 nan 8.370 nan 0.000 0.446 96 N N -0.712 118.055 118.700 0.112 0.000 2.314 96 N HA 0.055 4.795 4.740 -0.000 0.000 0.200 96 N C -0.496 175.167 175.510 0.255 0.000 1.135 96 N CA -0.035 53.099 53.050 0.140 0.000 0.835 96 N CB 0.009 38.564 38.487 0.113 0.000 0.989 96 N HN 0.100 nan 8.380 nan 0.000 0.478 97 F N -0.877 119.084 119.950 0.018 0.000 2.678 97 F HA 0.569 5.096 4.527 -0.000 0.000 0.308 97 F C 0.794 176.605 175.800 0.018 0.000 1.118 97 F CA 0.291 58.304 58.000 0.021 0.000 0.959 97 F CB 1.185 40.200 39.000 0.025 0.000 1.305 97 F HN 0.239 nan 8.300 nan 0.000 0.443 98 G N 2.972 111.496 108.800 -0.460 0.000 2.552 98 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.265 98 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.265 98 G C 0.460 175.279 174.900 -0.135 0.000 1.234 98 G CA 0.145 45.091 45.100 -0.258 0.000 0.944 98 G HN 1.071 nan 8.290 nan 0.000 0.568 99 L N 2.248 123.427 121.223 -0.074 0.000 2.349 99 L HA 0.136 4.476 4.340 -0.000 0.000 0.220 99 L C 3.082 179.945 176.870 -0.013 0.000 1.130 99 L CA 2.835 57.648 54.840 -0.045 0.000 0.791 99 L CB -0.696 41.341 42.059 -0.036 0.000 0.918 99 L HN 0.946 nan 8.230 nan 0.000 0.444 100 G N -0.813 107.989 108.800 0.004 0.000 2.450 100 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 100 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 100 G C 1.574 176.489 174.900 0.026 0.000 1.130 100 G CA 0.876 45.998 45.100 0.037 0.000 0.760 100 G HN 0.407 nan 8.290 nan 0.000 0.557 101 L N -0.389 120.832 121.223 -0.003 0.000 2.141 101 L HA 0.057 4.397 4.340 -0.000 0.000 0.209 101 L C 2.686 179.548 176.870 -0.013 0.000 1.094 101 L CA 0.460 55.294 54.840 -0.010 0.000 0.763 101 L CB -0.232 41.803 42.059 -0.041 0.000 0.908 101 L HN 0.189 nan 8.230 nan 0.000 0.437 102 L N -1.032 120.180 121.223 -0.019 0.000 2.270 102 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 102 L C 2.273 179.142 176.870 -0.002 0.000 1.104 102 L CA 0.517 55.347 54.840 -0.017 0.000 0.804 102 L CB -0.246 41.797 42.059 -0.027 0.000 0.937 102 L HN 0.216 nan 8.230 nan 0.000 0.450 103 L N -0.688 120.544 121.223 0.016 0.000 2.109 103 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 103 L C 2.760 179.640 176.870 0.016 0.000 1.086 103 L CA 0.770 55.625 54.840 0.026 0.000 0.760 103 L CB -0.464 41.637 42.059 0.070 0.000 0.910 103 L HN 0.207 nan 8.230 nan 0.000 0.437 104 R N 0.101 120.612 120.500 0.018 0.000 2.115 104 R HA -0.073 4.267 4.340 -0.000 0.000 0.230 104 R C 2.205 178.507 176.300 0.004 0.000 1.111 104 R CA 1.567 57.675 56.100 0.014 0.000 0.976 104 R CB -0.625 29.687 30.300 0.018 0.000 0.870 104 R HN 0.463 nan 8.270 nan 0.000 0.445 105 S N -0.221 115.478 115.700 -0.001 0.000 2.605 105 S HA 0.019 4.489 4.470 -0.000 0.000 0.217 105 S C 0.290 174.884 174.600 -0.010 0.000 0.958 105 S CA -0.229 57.967 58.200 -0.007 0.000 0.919 105 S CB 0.239 63.432 63.200 -0.011 0.000 0.780 105 S HN 0.101 nan 8.310 nan 0.000 0.507 106 K N 0.026 120.421 120.400 -0.008 0.000 3.117 106 K HA -0.211 4.109 4.320 -0.000 0.000 0.269 106 K C 0.431 177.023 176.600 -0.014 0.000 1.098 106 K CA 1.376 57.656 56.287 -0.011 0.000 0.785 106 K CB -3.293 29.200 32.500 -0.012 0.000 1.242 106 K HN 0.845 nan 8.250 nan 0.000 0.491 107 Q N -1.024 118.767 119.800 -0.015 0.000 2.356 107 Q HA 0.355 4.695 4.340 -0.000 0.000 0.205 107 Q C 0.543 176.532 176.000 -0.018 0.000 0.901 107 Q CA 0.413 56.204 55.803 -0.020 0.000 0.938 107 Q CB 0.401 29.123 28.738 -0.027 0.000 1.081 107 Q HN 0.679 nan 8.270 nan 0.000 0.517 108 I N 0.618 121.181 120.570 -0.012 0.000 2.441 108 I HA 0.148 4.318 4.170 -0.000 0.000 0.295 108 I C 0.727 176.839 176.117 -0.009 0.000 0.994 108 I CA -0.243 61.053 61.300 -0.008 0.000 1.144 108 I CB 1.731 39.733 38.000 0.003 0.000 1.314 108 I HN -0.070 nan 8.210 nan 0.000 0.445 109 K N 5.609 126.004 120.400 -0.007 0.000 2.329 109 K HA 0.273 4.593 4.320 -0.000 0.000 0.198 109 K C 0.654 177.251 176.600 -0.006 0.000 1.085 109 K CA 0.114 56.396 56.287 -0.008 0.000 0.961 109 K CB 0.750 33.247 32.500 -0.005 0.000 0.971 109 K HN 0.554 nan 8.250 nan 0.000 0.502 110 R N 0.885 121.383 120.500 -0.002 0.000 2.621 110 R HA 0.304 4.644 4.340 -0.000 0.000 0.284 110 R C -1.251 175.050 176.300 0.001 0.000 0.998 110 R CA -0.641 55.458 56.100 -0.002 0.000 0.895 110 R CB 1.415 31.715 30.300 -0.000 0.000 1.195 110 R HN 0.056 nan 8.270 nan 0.000 0.450 111 M N 3.919 123.522 119.600 0.005 0.000 2.336 111 M HA 0.358 4.837 4.480 -0.000 0.000 0.342 111 M C -0.903 175.384 176.300 -0.023 0.000 1.128 111 M CA -0.900 54.403 55.300 0.005 0.000 1.016 111 M CB 1.904 34.542 32.600 0.065 0.000 1.665 111 M HN 0.308 nan 8.290 nan 0.000 0.445 112 V N 2.674 122.562 119.914 -0.042 0.000 2.326 112 V HA 0.581 4.701 4.120 -0.000 0.000 0.281 112 V C -0.407 175.628 176.094 -0.097 0.000 1.015 112 V CA -0.275 61.992 62.300 -0.055 0.000 0.823 112 V CB 1.403 33.202 31.823 -0.040 0.000 1.009 112 V HN 0.987 nan 8.190 nan 0.000 0.436 113 S N 1.876 117.511 115.700 -0.108 0.000 2.570 113 S HA 0.377 4.847 4.470 -0.000 0.000 0.270 113 S C 0.701 175.233 174.600 -0.113 0.000 1.149 113 S CA -0.034 58.076 58.200 -0.150 0.000 0.837 113 S CB 2.097 65.186 63.200 -0.185 0.000 1.124 113 S HN 0.834 nan 8.310 nan 0.000 0.465 114 S N 0.160 115.802 115.700 -0.097 0.000 2.470 114 S HA 0.224 4.694 4.470 -0.000 0.000 0.222 114 S C -0.042 174.604 174.600 0.076 0.000 1.024 114 S CA 0.192 58.381 58.200 -0.018 0.000 0.931 114 S CB -0.094 63.115 63.200 0.016 0.000 0.791 114 S HN 0.769 nan 8.310 nan 0.000 0.513 115 Y N 0.866 121.090 120.300 -0.127 0.000 2.399 115 Y HA 0.492 5.041 4.550 -0.000 0.000 0.327 115 Y C -0.447 175.315 175.900 -0.231 0.000 1.111 115 Y CA -0.971 57.058 58.100 -0.118 0.000 1.047 115 Y CB 2.011 40.424 38.460 -0.079 0.000 1.259 115 Y HN 0.095 nan 8.280 nan 0.000 0.434 116 V N 2.630 121.964 119.914 -0.966 0.000 3.111 116 V HA 0.639 4.759 4.120 -0.000 0.000 0.343 116 V C 0.668 176.213 176.094 -0.914 0.000 1.417 116 V CA 0.356 62.072 62.300 -0.974 0.000 1.142 116 V CB 0.044 31.094 31.823 -1.288 0.000 1.114 116 V HN 0.915 nan 8.190 nan 0.000 0.520 117 G N 0.228 108.343 108.800 -1.141 0.000 2.651 117 G HA2 0.474 4.434 3.960 -0.000 0.000 0.260 117 G HA3 0.474 4.434 3.960 -0.000 0.000 0.260 117 G C 0.227 174.986 174.900 -0.234 0.000 1.216 117 G CA 0.192 44.956 45.100 -0.561 0.000 0.913 117 G HN 0.598 nan 8.290 nan 0.000 0.535 118 E N -1.359 118.806 120.200 -0.059 0.000 2.513 118 E HA -0.177 4.173 4.350 -0.000 0.000 0.257 118 E C -0.089 176.509 176.600 -0.003 0.000 1.098 118 E CA 1.090 57.493 56.400 0.005 0.000 0.752 118 E CB -1.295 28.433 29.700 0.047 0.000 1.324 118 E HN 0.464 nan 8.360 nan 0.000 0.403 119 N N -1.071 117.629 118.700 -0.000 0.000 2.653 119 N HA 0.451 5.191 4.740 -0.000 0.000 0.261 119 N C 0.488 176.066 175.510 0.113 0.000 1.216 119 N CA 0.488 53.569 53.050 0.052 0.000 0.784 119 N CB 0.763 39.270 38.487 0.034 0.000 1.327 119 N HN 0.057 nan 8.380 nan 0.000 0.539 120 A N 2.049 124.920 122.820 0.084 0.000 1.978 120 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 120 A C 1.779 179.417 177.584 0.091 0.000 1.170 120 A CA 1.744 53.828 52.037 0.080 0.000 0.636 120 A CB -0.165 18.864 19.000 0.049 0.000 0.810 120 A HN 0.659 nan 8.150 nan 0.000 0.448 121 E N -0.928 119.330 120.200 0.097 0.000 2.112 121 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 121 E C 1.559 178.209 176.600 0.083 0.000 0.979 121 E CA 1.050 57.493 56.400 0.073 0.000 0.814 121 E CB -0.486 29.251 29.700 0.062 0.000 0.762 121 E HN 0.541 nan 8.360 nan 0.000 0.460 122 F N 1.803 121.759 119.950 0.009 0.000 2.075 122 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 122 F C 2.185 178.024 175.800 0.065 0.000 1.113 122 F CA 2.301 60.309 58.000 0.014 0.000 1.218 122 F CB -0.556 38.429 39.000 -0.025 0.000 0.984 122 F HN 0.184 nan 8.300 nan 0.000 0.472 123 E N 0.319 120.718 120.200 0.331 0.000 2.070 123 E HA -0.330 4.020 4.350 -0.000 0.000 0.197 123 E C 2.558 179.166 176.600 0.013 0.000 1.004 123 E CA 1.659 58.191 56.400 0.221 0.000 0.805 123 E CB -0.478 29.333 29.700 0.184 0.000 0.744 123 E HN 0.450 nan 8.360 nan 0.000 0.451 124 R N -0.053 120.443 120.500 -0.005 0.000 2.092 124 R HA -0.149 4.191 4.340 -0.000 0.000 0.231 124 R C 2.384 178.640 176.300 -0.074 0.000 1.119 124 R CA 1.826 57.902 56.100 -0.040 0.000 0.970 124 R CB -0.025 30.264 30.300 -0.019 0.000 0.864 124 R HN 0.385 nan 8.270 nan 0.000 0.440 125 Q N -1.108 118.623 119.800 -0.114 0.000 2.096 125 Q HA -0.173 4.167 4.340 -0.000 0.000 0.197 125 Q C 1.781 177.715 176.000 -0.110 0.000 0.964 125 Q CA 1.162 56.890 55.803 -0.124 0.000 0.838 125 Q CB -0.163 28.480 28.738 -0.159 0.000 0.906 125 Q HN 0.324 nan 8.270 nan 0.000 0.444 126 Y N 1.420 121.477 120.300 -0.405 0.000 2.114 126 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 126 Y C 1.747 177.619 175.900 -0.047 0.000 1.143 126 Y CA 1.240 59.157 58.100 -0.305 0.000 1.135 126 Y CB -0.371 37.776 38.460 -0.522 0.000 0.980 126 Y HN 0.009 nan 8.280 nan 0.000 0.499 127 L N -0.082 121.026 121.223 -0.191 0.000 2.291 127 L HA -0.116 4.224 4.340 -0.000 0.000 0.214 127 L C 2.168 178.912 176.870 -0.210 0.000 1.120 127 L CA 1.450 56.066 54.840 -0.374 0.000 0.799 127 L CB -0.598 41.251 42.059 -0.350 0.000 0.925 127 L HN 0.347 nan 8.230 nan 0.000 0.446 128 S N -1.487 114.150 115.700 -0.104 0.000 2.556 128 S HA 0.212 4.682 4.470 -0.000 0.000 0.216 128 S C 1.426 176.015 174.600 -0.017 0.000 0.970 128 S CA 0.307 58.471 58.200 -0.061 0.000 0.912 128 S CB 0.712 63.879 63.200 -0.055 0.000 0.790 128 S HN 0.480 nan 8.310 nan 0.000 0.504 129 G N 1.307 110.117 108.800 0.015 0.000 2.157 129 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 129 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 129 G C 0.462 175.372 174.900 0.017 0.000 0.979 129 G CA 0.365 45.487 45.100 0.037 0.000 0.650 129 G HN 0.569 nan 8.290 nan 0.000 0.529 130 E N -1.231 118.968 120.200 -0.002 0.000 2.371 130 E HA 0.285 4.634 4.350 -0.000 0.000 0.194 130 E C 0.602 177.190 176.600 -0.020 0.000 1.012 130 E CA 0.467 56.857 56.400 -0.016 0.000 0.860 130 E CB 0.402 30.083 29.700 -0.031 0.000 0.811 130 E HN 0.450 nan 8.360 nan 0.000 0.502 131 L N 1.110 122.324 121.223 -0.016 0.000 2.436 131 L HA 0.288 4.628 4.340 -0.000 0.000 0.268 131 L C -1.272 175.613 176.870 0.025 0.000 0.974 131 L CA -0.561 54.257 54.840 -0.038 0.000 0.826 131 L CB 2.016 43.983 42.059 -0.153 0.000 1.291 131 L HN -0.234 nan 8.230 nan 0.000 0.406 132 E N 3.455 123.664 120.200 0.015 0.000 2.301 132 E HA 0.632 4.982 4.350 -0.000 0.000 0.275 132 E C -1.240 175.354 176.600 -0.009 0.000 1.030 132 E CA -0.651 55.771 56.400 0.037 0.000 0.852 132 E CB 2.009 31.722 29.700 0.022 0.000 1.060 132 E HN 0.407 nan 8.360 nan 0.000 0.401 133 V N 2.617 122.520 119.914 -0.018 0.000 2.567 133 V HA 0.122 4.242 4.120 -0.000 0.000 0.298 133 V C -0.732 175.343 176.094 -0.031 0.000 1.047 133 V CA -0.843 61.398 62.300 -0.098 0.000 0.880 133 V CB 1.596 33.184 31.823 -0.392 0.000 1.009 133 V HN 0.655 nan 8.190 nan 0.000 0.429 134 E N 5.043 125.231 120.200 -0.020 0.000 1.996 134 E HA 0.378 4.728 4.350 -0.000 0.000 0.280 134 E C -0.767 175.824 176.600 -0.015 0.000 1.092 134 E CA -0.339 56.059 56.400 -0.004 0.000 0.862 134 E CB 1.216 30.909 29.700 -0.011 0.000 1.066 134 E HN 0.531 nan 8.360 nan 0.000 0.396 135 L N 3.523 124.758 121.223 0.020 0.000 2.369 135 L HA 0.156 4.496 4.340 -0.000 0.000 0.279 135 L C 0.072 176.919 176.870 -0.038 0.000 1.108 135 L CA 0.261 55.111 54.840 0.017 0.000 0.852 135 L CB 0.365 42.507 42.059 0.139 0.000 1.169 135 L HN 0.417 nan 8.230 nan 0.000 0.452 136 T N 4.203 118.716 114.554 -0.068 0.000 2.879 136 T HA 0.347 4.697 4.350 -0.000 0.000 0.290 136 T C -2.530 172.108 174.700 -0.104 0.000 0.993 136 T CA -1.503 60.548 62.100 -0.082 0.000 0.975 136 T CB 1.943 70.777 68.868 -0.057 0.000 0.981 136 T HN 0.203 nan 8.240 nan 0.000 0.439 137 P HA 0.047 nan 4.420 nan 0.000 0.264 137 P C 0.831 178.037 177.300 -0.157 0.000 1.183 137 P CA 0.125 63.133 63.100 -0.154 0.000 0.763 137 P CB 0.605 32.214 31.700 -0.152 0.000 0.807 138 Q N 2.801 122.493 119.800 -0.181 0.000 2.152 138 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 138 Q C 2.005 177.698 176.000 -0.512 0.000 0.985 138 Q CA 2.255 57.953 55.803 -0.174 0.000 0.863 138 Q CB -0.655 28.069 28.738 -0.022 0.000 0.904 138 Q HN 0.705 nan 8.270 nan 0.000 0.422 139 G N -1.135 107.026 108.800 -1.065 0.000 2.430 139 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 139 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 139 G C 1.288 176.052 174.900 -0.226 0.000 1.146 139 G CA 1.007 45.516 45.100 -0.986 0.000 0.793 139 G HN 0.318 nan 8.290 nan 0.000 0.537 140 T N 1.146 115.634 114.554 -0.110 0.000 2.821 140 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 140 T C 2.229 176.990 174.700 0.102 0.000 1.046 140 T CA 0.928 63.074 62.100 0.077 0.000 1.139 140 T CB -0.155 68.730 68.868 0.029 0.000 0.871 140 T HN 0.118 nan 8.240 nan 0.000 0.454 141 L N 1.610 122.862 121.223 0.048 0.000 2.012 141 L HA 0.015 4.355 4.340 -0.000 0.000 0.210 141 L C 2.592 179.604 176.870 0.236 0.000 1.073 141 L CA 1.995 56.906 54.840 0.117 0.000 0.748 141 L CB -1.042 41.059 42.059 0.071 0.000 0.891 141 L HN 0.225 nan 8.230 nan 0.000 0.431 142 A N -1.202 121.774 122.820 0.260 0.000 1.930 142 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 142 A C 2.258 179.867 177.584 0.042 0.000 1.175 142 A CA 1.637 53.766 52.037 0.153 0.000 0.627 142 A CB -0.574 18.375 19.000 -0.084 0.000 0.815 142 A HN 0.516 nan 8.150 nan 0.000 0.443 143 E N -0.102 120.114 120.200 0.026 0.000 2.158 143 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 143 E C 2.123 178.718 176.600 -0.008 0.000 0.982 143 E CA 0.859 57.196 56.400 -0.105 0.000 0.823 143 E CB -0.167 29.385 29.700 -0.247 0.000 0.766 143 E HN 0.565 nan 8.360 nan 0.000 0.468 144 R N -0.200 120.451 120.500 0.250 0.000 2.092 144 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 144 R C 2.333 178.723 176.300 0.150 0.000 1.119 144 R CA 1.433 57.720 56.100 0.311 0.000 0.970 144 R CB -0.294 30.139 30.300 0.222 0.000 0.864 144 R HN 0.263 nan 8.270 nan 0.000 0.440 145 I N 0.279 120.915 120.570 0.109 0.000 2.202 145 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 145 I C 2.800 178.933 176.117 0.026 0.000 1.091 145 I CA 1.119 62.465 61.300 0.075 0.000 1.368 145 I CB -0.309 37.757 38.000 0.109 0.000 1.058 145 I HN 0.134 nan 8.210 nan 0.000 0.410 146 R N 1.434 121.927 120.500 -0.011 0.000 2.081 146 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 146 R C 2.348 178.615 176.300 -0.056 0.000 1.131 146 R CA 1.770 57.831 56.100 -0.064 0.000 0.960 146 R CB -0.326 29.908 30.300 -0.111 0.000 0.856 146 R HN 0.370 nan 8.270 nan 0.000 0.436 147 A N 0.342 123.131 122.820 -0.051 0.000 1.908 147 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 147 A C 2.384 179.988 177.584 0.033 0.000 1.181 147 A CA 1.891 53.923 52.037 -0.007 0.000 0.627 147 A CB -1.275 17.780 19.000 0.092 0.000 0.818 147 A HN 0.581 nan 8.150 nan 0.000 0.445 148 G N -0.723 108.105 108.800 0.046 0.000 2.442 148 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.219 148 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.219 148 G C 1.448 176.367 174.900 0.032 0.000 1.141 148 G CA 1.248 46.373 45.100 0.043 0.000 0.763 148 G HN 0.774 nan 8.290 nan 0.000 0.554 149 G N 0.167 108.973 108.800 0.011 0.000 2.572 149 G HA2 0.250 4.210 3.960 -0.000 0.000 0.216 149 G HA3 0.250 4.210 3.960 -0.000 0.000 0.216 149 G C 1.460 176.386 174.900 0.044 0.000 1.133 149 G CA 1.151 46.258 45.100 0.012 0.000 0.791 149 G HN 0.674 nan 8.290 nan 0.000 0.538 150 A N -0.537 122.299 122.820 0.026 0.000 2.430 150 A HA 0.527 4.847 4.320 -0.000 0.000 0.243 150 A C 1.788 179.392 177.584 0.033 0.000 1.254 150 A CA 1.014 53.070 52.037 0.031 0.000 0.914 150 A CB -0.186 18.811 19.000 -0.004 0.000 0.998 150 A HN 1.408 nan 8.150 nan 0.000 0.515 151 G N -0.874 107.949 108.800 0.038 0.000 2.160 151 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.251 151 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.251 151 G C 0.056 174.976 174.900 0.034 0.000 1.008 151 G CA 0.319 45.441 45.100 0.037 0.000 0.724 151 G HN 0.847 nan 8.290 nan 0.000 0.514 152 V N 1.847 121.783 119.914 0.038 0.000 2.318 152 V HA 0.333 4.453 4.120 -0.000 0.000 0.271 152 V C -0.138 176.002 176.094 0.076 0.000 1.030 152 V CA -0.648 61.683 62.300 0.052 0.000 0.844 152 V CB 1.607 33.456 31.823 0.044 0.000 1.015 152 V HN 0.202 nan 8.190 nan 0.000 0.460 153 P HA 0.143 nan 4.420 nan 0.000 0.227 153 P C 0.234 177.557 177.300 0.037 0.000 1.161 153 P CA 0.705 63.832 63.100 0.045 0.000 0.788 153 P CB 0.862 32.576 31.700 0.024 0.000 0.822 154 A N -0.536 122.312 122.820 0.047 0.000 2.604 154 A HA 0.672 4.992 4.320 -0.000 0.000 0.295 154 A C -1.413 176.200 177.584 0.049 0.000 1.067 154 A CA -0.651 51.362 52.037 -0.040 0.000 0.683 154 A CB 0.740 19.653 19.000 -0.145 0.000 1.281 154 A HN 0.104 nan 8.150 nan 0.000 0.407 155 F N -1.508 118.337 119.950 -0.175 0.000 2.662 155 F HA 0.826 5.353 4.527 -0.000 0.000 0.312 155 F C -1.614 174.035 175.800 -0.253 0.000 1.113 155 F CA -1.339 56.563 58.000 -0.164 0.000 0.951 155 F CB 0.898 39.853 39.000 -0.076 0.000 1.344 155 F HN 0.476 nan 8.300 nan 0.000 0.462 156 Y N 0.398 120.730 120.300 0.052 0.000 2.323 156 Y HA 0.592 5.142 4.550 -0.000 0.000 0.331 156 Y C 0.454 176.448 175.900 0.156 0.000 1.092 156 Y CA -0.442 57.656 58.100 -0.005 0.000 1.150 156 Y CB 1.928 40.325 38.460 -0.105 0.000 1.200 156 Y HN 0.850 nan 8.280 nan 0.000 0.472 157 T N 3.999 118.772 114.554 0.365 0.000 2.900 157 T HA 0.323 4.673 4.350 -0.000 0.000 0.295 157 T C -2.144 172.870 174.700 0.524 0.000 1.044 157 T CA -2.488 59.879 62.100 0.445 0.000 0.995 157 T CB 1.600 70.680 68.868 0.353 0.000 1.072 157 T HN 0.391 nan 8.240 nan 0.000 0.473 158 P HA 0.064 nan 4.420 nan 0.000 0.229 158 P C 0.409 177.793 177.300 0.140 0.000 1.160 158 P CA 0.370 63.544 63.100 0.123 0.000 0.777 158 P CB -0.210 31.520 31.700 0.051 0.000 0.814 159 T N 0.445 115.098 114.554 0.165 0.000 2.834 159 T HA 0.377 4.727 4.350 -0.000 0.000 0.298 159 T C 1.425 176.170 174.700 0.075 0.000 0.966 159 T CA 0.972 63.134 62.100 0.104 0.000 1.141 159 T CB 0.209 69.126 68.868 0.083 0.000 0.905 159 T HN 0.320 nan 8.240 nan 0.000 0.535 160 G N 2.660 111.483 108.800 0.037 0.000 2.217 160 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.246 160 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.246 160 G C 0.099 175.011 174.900 0.021 0.000 0.990 160 G CA -0.002 45.094 45.100 -0.007 0.000 0.627 160 G HN 0.857 nan 8.290 nan 0.000 0.522 161 Y N 1.479 121.782 120.300 0.005 0.000 2.810 161 Y HA 0.297 4.847 4.550 -0.000 0.000 0.332 161 Y C 1.540 177.440 175.900 0.000 0.000 1.243 161 Y CA 1.590 59.695 58.100 0.009 0.000 1.537 161 Y CB 0.389 38.843 38.460 -0.011 0.000 1.265 161 Y HN 1.563 nan 8.280 nan 0.000 0.572 162 G N 3.178 111.379 108.800 -0.998 0.000 2.176 162 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 162 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 162 G C 0.154 174.900 174.900 -0.256 0.000 0.979 162 G CA 0.510 45.194 45.100 -0.694 0.000 0.641 162 G HN 1.316 nan 8.290 nan 0.000 0.530 163 T N -2.730 111.730 114.554 -0.157 0.000 2.888 163 T HA 0.704 5.054 4.350 -0.000 0.000 0.288 163 T C 1.532 176.247 174.700 0.025 0.000 1.063 163 T CA -0.157 61.938 62.100 -0.008 0.000 1.010 163 T CB 1.372 70.245 68.868 0.008 0.000 1.214 163 T HN 0.273 nan 8.240 nan 0.000 0.533 164 L N 0.965 122.266 121.223 0.129 0.000 2.127 164 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 164 L C 2.847 179.764 176.870 0.078 0.000 1.089 164 L CA 0.949 55.870 54.840 0.134 0.000 0.757 164 L CB -0.881 41.335 42.059 0.262 0.000 0.899 164 L HN 0.574 nan 8.230 nan 0.000 0.434 165 V N -0.271 119.662 119.914 0.033 0.000 2.252 165 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 165 V C 2.532 178.631 176.094 0.009 0.000 1.056 165 V CA 2.266 64.561 62.300 -0.009 0.000 1.022 165 V CB -0.670 31.112 31.823 -0.069 0.000 0.641 165 V HN 0.573 nan 8.190 nan 0.000 0.445 166 Q N 0.055 119.862 119.800 0.011 0.000 2.020 166 Q HA -0.189 4.150 4.340 -0.000 0.000 0.198 166 Q C 2.155 178.174 176.000 0.032 0.000 0.974 166 Q CA 1.845 57.669 55.803 0.035 0.000 0.829 166 Q CB -0.083 28.677 28.738 0.037 0.000 0.894 166 Q HN 0.757 nan 8.270 nan 0.000 0.433 167 E N -0.192 120.015 120.200 0.012 0.000 2.358 167 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 167 E C 0.686 177.300 176.600 0.025 0.000 1.010 167 E CA 0.356 56.765 56.400 0.015 0.000 0.856 167 E CB 0.174 29.873 29.700 -0.000 0.000 0.795 167 E HN 0.505 nan 8.360 nan 0.000 0.504 168 G N -0.329 108.489 108.800 0.031 0.000 2.746 168 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.685 168 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.685 168 G C 0.554 175.478 174.900 0.039 0.000 1.350 168 G CA -0.427 44.692 45.100 0.031 0.000 0.837 168 G HN 0.585 nan 8.290 nan 0.000 0.564 169 G N -1.766 107.055 108.800 0.035 0.000 2.159 169 G HA2 0.113 4.073 3.960 -0.000 0.000 0.227 169 G HA3 0.113 4.073 3.960 -0.000 0.000 0.227 169 G C 0.777 175.710 174.900 0.054 0.000 0.986 169 G CA 1.405 46.524 45.100 0.032 0.000 0.651 169 G HN 2.283 nan 8.290 nan 0.000 0.523 170 S N 1.841 117.594 115.700 0.088 0.000 2.533 170 S HA 0.528 4.998 4.470 -0.000 0.000 0.282 170 S C -2.008 172.632 174.600 0.066 0.000 1.304 170 S CA -0.642 57.643 58.200 0.141 0.000 1.063 170 S CB 0.818 64.132 63.200 0.190 0.000 0.881 170 S HN 0.209 nan 8.310 nan 0.000 0.493 171 P HA 0.256 nan 4.420 nan 0.000 0.276 171 P C 0.058 177.353 177.300 -0.008 0.000 1.243 171 P CA -0.033 62.976 63.100 -0.152 0.000 0.768 171 P CB 0.453 31.889 31.700 -0.439 0.000 0.856 172 I N 1.624 122.170 120.570 -0.040 0.000 3.172 172 I HA 0.155 4.325 4.170 -0.000 0.000 0.278 172 I C 1.086 177.250 176.117 0.078 0.000 1.174 172 I CA 0.632 61.965 61.300 0.054 0.000 1.445 172 I CB 0.254 38.265 38.000 0.018 0.000 1.175 172 I HN 0.252 nan 8.210 nan 0.000 0.447 173 K N 0.318 120.681 120.400 -0.061 0.000 2.482 173 K HA 0.393 4.713 4.320 -0.000 0.000 0.251 173 K C -1.780 174.703 176.600 -0.194 0.000 0.936 173 K CA -0.567 55.696 56.287 -0.040 0.000 0.791 173 K CB 1.998 34.493 32.500 -0.008 0.000 1.213 173 K HN -0.239 nan 8.250 nan 0.000 0.428 174 Y N 1.336 121.601 120.300 -0.057 0.000 2.419 174 Y HA 0.330 4.880 4.550 -0.000 0.000 0.328 174 Y C 0.597 176.452 175.900 -0.075 0.000 1.162 174 Y CA -0.490 57.544 58.100 -0.110 0.000 1.174 174 Y CB 1.326 39.654 38.460 -0.220 0.000 1.228 174 Y HN 0.548 nan 8.280 nan 0.000 0.473 175 N N 1.414 120.195 118.700 0.134 0.000 2.495 175 N HA 0.178 4.918 4.740 -0.000 0.000 0.280 175 N C 0.686 176.220 175.510 0.039 0.000 1.168 175 N CA -0.380 52.707 53.050 0.063 0.000 0.978 175 N CB 1.108 39.618 38.487 0.037 0.000 1.191 175 N HN 0.584 nan 8.380 nan 0.000 0.497 176 K N 0.419 120.818 120.400 -0.001 0.000 2.147 176 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 176 K C 0.601 177.175 176.600 -0.044 0.000 1.049 176 K CA 1.601 57.867 56.287 -0.035 0.000 0.936 176 K CB -0.113 32.368 32.500 -0.032 0.000 0.722 176 K HN 0.589 nan 8.250 nan 0.000 0.446 177 D N -0.694 119.693 120.400 -0.022 0.000 2.351 177 D HA -0.067 4.573 4.640 -0.000 0.000 0.216 177 D C 1.157 177.439 176.300 -0.031 0.000 0.968 177 D CA 1.076 55.061 54.000 -0.025 0.000 0.899 177 D CB -0.103 40.690 40.800 -0.012 0.000 0.907 177 D HN 0.323 nan 8.370 nan 0.000 0.514 178 G N -0.383 108.404 108.800 -0.021 0.000 2.176 178 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.232 178 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.232 178 G C 0.424 175.386 174.900 0.103 0.000 0.986 178 G CA 0.240 45.319 45.100 -0.035 0.000 0.643 178 G HN 0.802 nan 8.290 nan 0.000 0.522 179 S N -0.763 114.989 115.700 0.087 0.000 2.614 179 S HA 0.666 5.136 4.470 -0.000 0.000 0.265 179 S C 0.298 174.960 174.600 0.104 0.000 1.303 179 S CA -0.161 58.087 58.200 0.080 0.000 1.000 179 S CB 2.300 65.519 63.200 0.032 0.000 0.935 179 S HN 1.005 nan 8.310 nan 0.000 0.551 180 V N 2.042 121.960 119.914 0.007 0.000 2.383 180 V HA 0.543 4.663 4.120 -0.000 0.000 0.275 180 V C 1.104 177.155 176.094 -0.071 0.000 1.036 180 V CA -0.052 62.181 62.300 -0.112 0.000 0.889 180 V CB 0.543 32.273 31.823 -0.156 0.000 0.985 180 V HN 1.141 nan 8.190 nan 0.000 0.459 181 A N 5.779 128.554 122.820 -0.074 0.000 1.984 181 A HA 0.398 4.718 4.320 -0.000 0.000 0.214 181 A C 0.746 178.303 177.584 -0.044 0.000 1.173 181 A CA 0.817 52.830 52.037 -0.039 0.000 0.673 181 A CB 0.113 19.101 19.000 -0.019 0.000 0.830 181 A HN 0.654 nan 8.150 nan 0.000 0.453 182 I N -0.328 120.202 120.570 -0.067 0.000 2.512 182 I HA 0.548 4.718 4.170 -0.000 0.000 0.287 182 I C -0.357 175.721 176.117 -0.064 0.000 1.069 182 I CA -0.568 60.704 61.300 -0.048 0.000 1.056 182 I CB 1.972 39.956 38.000 -0.027 0.000 1.229 182 I HN 0.151 nan 8.210 nan 0.000 0.429 183 A N 4.157 126.951 122.820 -0.043 0.000 2.337 183 A HA 0.769 5.088 4.320 -0.000 0.000 0.331 183 A C 0.141 177.720 177.584 -0.008 0.000 1.137 183 A CA -0.540 51.478 52.037 -0.033 0.000 0.807 183 A CB 1.474 20.457 19.000 -0.028 0.000 1.250 183 A HN 0.776 nan 8.150 nan 0.000 0.468 184 S N 1.253 116.958 115.700 0.008 0.000 2.584 184 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 184 S C -0.110 174.497 174.600 0.013 0.000 1.346 184 S CA 0.039 58.248 58.200 0.014 0.000 1.018 184 S CB 0.257 63.474 63.200 0.028 0.000 0.899 184 S HN 0.612 nan 8.310 nan 0.000 0.542 185 K N 1.456 121.861 120.400 0.009 0.000 2.118 185 K HA 0.502 4.822 4.320 -0.000 0.000 0.254 185 K C -2.709 173.900 176.600 0.014 0.000 0.961 185 K CA -2.281 54.012 56.287 0.009 0.000 0.876 185 K CB 0.729 33.232 32.500 0.005 0.000 1.077 185 K HN 0.426 nan 8.250 nan 0.000 0.440 186 P HA 0.000 nan 4.420 nan 0.000 0.265 186 P C -0.739 176.578 177.300 0.027 0.000 1.193 186 P CA 0.130 63.246 63.100 0.026 0.000 0.765 186 P CB 0.551 32.268 31.700 0.029 0.000 0.823 187 R N 2.261 122.783 120.500 0.036 0.000 2.532 187 R HA 0.259 4.599 4.340 -0.000 0.000 0.272 187 R C 0.282 176.623 176.300 0.069 0.000 1.032 187 R CA -0.613 55.508 56.100 0.036 0.000 1.089 187 R CB 0.636 30.957 30.300 0.034 0.000 1.098 187 R HN 0.540 nan 8.270 nan 0.000 0.526 188 E N 0.916 121.155 120.200 0.066 0.000 2.344 188 E HA 0.139 4.489 4.350 -0.000 0.000 0.270 188 E C -0.573 176.143 176.600 0.192 0.000 1.021 188 E CA -0.122 56.345 56.400 0.111 0.000 0.887 188 E CB 1.082 30.843 29.700 0.102 0.000 0.997 188 E HN 0.102 nan 8.360 nan 0.000 0.429 189 V N 4.233 124.271 119.914 0.206 0.000 2.495 189 V HA 0.434 4.554 4.120 -0.000 0.000 0.298 189 V C -0.053 176.152 176.094 0.185 0.000 1.031 189 V CA -0.618 61.834 62.300 0.255 0.000 0.871 189 V CB 1.575 33.570 31.823 0.288 0.000 0.988 189 V HN 0.593 nan 8.190 nan 0.000 0.432 190 R N 2.822 123.410 120.500 0.148 0.000 2.621 190 R HA 0.404 4.744 4.340 -0.000 0.000 0.284 190 R C -0.846 175.283 176.300 -0.285 0.000 0.998 190 R CA -0.609 55.414 56.100 -0.128 0.000 0.895 190 R CB 2.033 32.176 30.300 -0.263 0.000 1.195 190 R HN 0.794 nan 8.270 nan 0.000 0.450 191 E N 4.079 123.952 120.200 -0.545 0.000 2.259 191 E HA 0.186 4.536 4.350 -0.000 0.000 0.281 191 E C -1.443 174.824 176.600 -0.556 0.000 1.027 191 E CA -0.112 55.945 56.400 -0.571 0.000 0.838 191 E CB 0.667 29.959 29.700 -0.681 0.000 1.066 191 E HN 0.360 nan 8.360 nan 0.000 0.401 192 F N 3.375 123.292 119.950 -0.055 0.000 2.536 192 F HA 0.250 4.777 4.527 0.000 0.000 0.322 192 F C 0.464 176.279 175.800 0.026 0.000 1.144 192 F CA -0.888 57.060 58.000 -0.087 0.000 0.924 192 F CB 1.328 40.166 39.000 -0.271 0.000 1.181 192 F HN 0.474 nan 8.300 nan 0.000 0.438 193 N N 2.457 121.224 118.700 0.113 0.000 2.735 193 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 193 N C 0.956 176.511 175.510 0.074 0.000 1.083 193 N CA 1.358 54.461 53.050 0.088 0.000 0.703 193 N CB -0.975 37.579 38.487 0.112 0.000 1.005 193 N HN 1.189 nan 8.380 nan 0.000 0.550 194 G N -0.763 108.056 108.800 0.032 0.000 2.143 194 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.248 194 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.248 194 G C -0.208 174.713 174.900 0.035 0.000 0.991 194 G CA 0.858 45.972 45.100 0.022 0.000 0.689 194 G HN 0.737 nan 8.290 nan 0.000 0.522 195 Q N -0.718 119.113 119.800 0.050 0.000 2.423 195 Q HA 0.631 4.971 4.340 -0.000 0.000 0.278 195 Q C -0.981 174.908 176.000 -0.185 0.000 1.097 195 Q CA -0.938 54.831 55.803 -0.056 0.000 0.809 195 Q CB 1.378 30.061 28.738 -0.093 0.000 1.391 195 Q HN 0.444 nan 8.270 nan 0.000 0.428 196 H N 1.250 119.965 119.070 -0.592 0.000 2.463 196 H HA 0.535 5.091 4.556 -0.000 0.000 0.332 196 H C -1.234 173.637 175.328 -0.762 0.000 1.127 196 H CA 0.235 55.911 56.048 -0.620 0.000 1.238 196 H CB 0.753 29.874 29.762 -1.068 0.000 1.478 196 H HN 0.394 nan 8.280 nan 0.000 0.499 197 F N 1.536 121.497 119.950 0.018 0.000 2.629 197 F HA 0.443 4.970 4.527 -0.000 0.000 0.316 197 F C -0.244 175.728 175.800 0.285 0.000 1.081 197 F CA -1.192 56.913 58.000 0.176 0.000 0.954 197 F CB 1.577 40.715 39.000 0.230 0.000 1.337 197 F HN 0.361 nan 8.300 nan 0.000 0.474 198 I N 0.625 121.471 120.570 0.460 0.000 2.603 198 I HA 0.667 4.837 4.170 -0.000 0.000 0.300 198 I C -1.461 174.754 176.117 0.163 0.000 1.017 198 I CA -1.149 60.341 61.300 0.317 0.000 1.098 198 I CB 2.029 40.143 38.000 0.191 0.000 1.279 198 I HN 0.473 nan 8.210 nan 0.000 0.437 199 L N 4.615 125.817 121.223 -0.035 0.000 2.331 199 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 199 L C -0.303 176.338 176.870 -0.382 0.000 1.106 199 L CA 0.726 55.287 54.840 -0.465 0.000 0.824 199 L CB 0.388 42.145 42.059 -0.504 0.000 1.142 199 L HN 0.601 nan 8.230 nan 0.000 0.443 200 E N 4.201 124.031 120.200 -0.618 0.000 2.248 200 E HA 0.371 4.721 4.350 -0.000 0.000 0.267 200 E C -1.128 175.154 176.600 -0.530 0.000 0.877 200 E CA -0.568 55.484 56.400 -0.580 0.000 0.759 200 E CB 1.907 31.148 29.700 -0.765 0.000 1.182 200 E HN 0.585 nan 8.360 nan 0.000 0.418 201 E N 0.651 120.698 120.200 -0.256 0.000 2.248 201 E HA 0.525 4.875 4.350 -0.000 0.000 0.272 201 E C -0.425 176.168 176.600 -0.011 0.000 1.008 201 E CA -0.800 55.527 56.400 -0.123 0.000 0.856 201 E CB 1.681 31.334 29.700 -0.079 0.000 1.120 201 E HN 0.554 nan 8.360 nan 0.000 0.397 202 A N 2.936 125.789 122.820 0.056 0.000 2.561 202 A HA 0.049 4.369 4.320 -0.000 0.000 0.234 202 A C -0.055 177.566 177.584 0.061 0.000 1.055 202 A CA 0.512 52.607 52.037 0.096 0.000 0.756 202 A CB -0.080 18.967 19.000 0.078 0.000 0.986 202 A HN 0.529 nan 8.150 nan 0.000 0.505 203 I N 2.186 122.798 120.570 0.070 0.000 2.362 203 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 203 I C 0.463 176.608 176.117 0.047 0.000 0.994 203 I CA -0.167 61.163 61.300 0.050 0.000 1.158 203 I CB 1.891 39.922 38.000 0.051 0.000 1.315 203 I HN 0.818 nan 8.210 nan 0.000 0.451 204 T N 1.900 116.477 114.554 0.039 0.000 2.924 204 T HA 0.811 5.160 4.350 -0.000 0.000 0.291 204 T C -0.152 174.571 174.700 0.038 0.000 1.045 204 T CA -0.853 61.270 62.100 0.037 0.000 1.015 204 T CB 2.120 71.007 68.868 0.032 0.000 1.103 204 T HN 0.631 nan 8.240 nan 0.000 0.496 205 G N -0.028 108.797 108.800 0.042 0.000 2.511 205 G HA2 0.492 4.452 3.960 -0.000 0.000 0.318 205 G HA3 0.492 4.452 3.960 -0.000 0.000 0.318 205 G C 0.043 174.967 174.900 0.041 0.000 1.210 205 G CA -0.786 44.348 45.100 0.056 0.000 0.969 205 G HN 0.678 nan 8.290 nan 0.000 0.484 206 D N -0.395 120.052 120.400 0.078 0.000 2.097 206 D HA -0.014 4.626 4.640 -0.000 0.000 0.197 206 D C -0.037 176.188 176.300 -0.125 0.000 0.984 206 D CA 1.460 55.481 54.000 0.036 0.000 0.826 206 D CB 0.087 41.017 40.800 0.217 0.000 0.973 206 D HN 0.189 nan 8.370 nan 0.000 0.460 207 F N -0.570 119.401 119.950 0.034 0.000 2.588 207 F HA 0.564 5.091 4.527 -0.000 0.000 0.314 207 F C -0.188 175.634 175.800 0.037 0.000 1.069 207 F CA -1.270 56.754 58.000 0.040 0.000 0.931 207 F CB 1.947 40.959 39.000 0.020 0.000 1.260 207 F HN -0.272 nan 8.300 nan 0.000 0.465 208 A N 3.046 125.991 122.820 0.209 0.000 2.331 208 A HA 0.833 5.153 4.320 -0.000 0.000 0.320 208 A C -1.435 176.235 177.584 0.143 0.000 1.138 208 A CA -0.611 51.510 52.037 0.140 0.000 0.790 208 A CB 0.818 19.872 19.000 0.089 0.000 1.206 208 A HN 0.750 nan 8.150 nan 0.000 0.470 209 L N 3.369 124.657 121.223 0.109 0.000 2.276 209 L HA 0.534 4.873 4.340 -0.000 0.000 0.286 209 L C -0.937 175.987 176.870 0.089 0.000 1.024 209 L CA -0.666 54.225 54.840 0.085 0.000 0.826 209 L CB 1.296 43.385 42.059 0.049 0.000 1.211 209 L HN 0.421 nan 8.230 nan 0.000 0.422 210 V N 2.965 122.942 119.914 0.104 0.000 2.656 210 V HA 0.435 4.555 4.120 -0.000 0.000 0.307 210 V C -0.264 175.924 176.094 0.156 0.000 1.051 210 V CA -0.812 61.573 62.300 0.141 0.000 0.893 210 V CB 2.420 34.338 31.823 0.159 0.000 0.999 210 V HN 0.576 nan 8.190 nan 0.000 0.426 211 K N 3.569 124.083 120.400 0.189 0.000 2.182 211 K HA 0.889 5.209 4.320 -0.000 0.000 0.262 211 K C -0.572 176.176 176.600 0.248 0.000 0.957 211 K CA 0.052 56.449 56.287 0.183 0.000 0.842 211 K CB 1.682 34.278 32.500 0.159 0.000 1.099 211 K HN 0.919 nan 8.250 nan 0.000 0.438 212 A N 2.990 125.888 122.820 0.129 0.000 2.524 212 A HA 0.523 4.843 4.320 -0.000 0.000 0.286 212 A C -0.776 176.844 177.584 0.060 0.000 1.203 212 A CA -0.724 51.322 52.037 0.016 0.000 0.736 212 A CB 0.129 18.907 19.000 -0.371 0.000 1.322 212 A HN 0.914 nan 8.150 nan 0.000 0.424 213 W N 0.543 121.723 121.300 -0.200 0.000 2.633 213 W HA 0.363 5.023 4.660 -0.000 0.000 0.295 213 W C 0.007 176.470 176.519 -0.094 0.000 1.133 213 W CA 1.041 58.302 57.345 -0.140 0.000 1.490 213 W CB 0.065 29.456 29.460 -0.114 0.000 1.127 213 W HN 0.535 nan 8.180 nan 0.000 0.538 214 K N -0.122 120.165 120.400 -0.189 0.000 2.443 214 K HA 0.658 4.978 4.320 -0.000 0.000 0.251 214 K C -1.282 175.317 176.600 -0.002 0.000 0.972 214 K CA -0.784 55.394 56.287 -0.183 0.000 0.833 214 K CB 2.244 34.543 32.500 -0.335 0.000 1.317 214 K HN -0.148 nan 8.250 nan 0.000 0.441 215 A N 1.514 124.400 122.820 0.109 0.000 2.414 215 A HA 0.468 4.788 4.320 -0.000 0.000 0.306 215 A C -1.220 176.443 177.584 0.132 0.000 1.054 215 A CA -0.795 51.348 52.037 0.177 0.000 0.724 215 A CB 1.048 20.105 19.000 0.095 0.000 1.267 215 A HN 0.820 nan 8.150 nan 0.000 0.418 216 D N 0.373 120.827 120.400 0.090 0.000 2.423 216 D HA 0.250 4.890 4.640 -0.000 0.000 0.255 216 D C 0.579 176.931 176.300 0.087 0.000 1.174 216 D CA -0.591 53.323 54.000 -0.144 0.000 1.008 216 D CB 0.537 41.080 40.800 -0.429 0.000 1.101 216 D HN 0.410 nan 8.370 nan 0.000 0.516 217 R N -0.536 119.970 120.500 0.010 0.000 2.323 217 R HA 0.155 4.495 4.340 -0.000 0.000 0.198 217 R C 1.084 177.471 176.300 0.144 0.000 0.988 217 R CA 0.577 56.697 56.100 0.034 0.000 1.041 217 R CB -0.106 30.094 30.300 -0.167 0.000 0.926 217 R HN 0.550 nan 8.270 nan 0.000 0.476 218 A N -0.151 122.753 122.820 0.140 0.000 2.195 218 A HA 0.265 4.585 4.320 -0.000 0.000 0.210 218 A C 1.394 179.090 177.584 0.187 0.000 1.165 218 A CA 0.732 52.856 52.037 0.145 0.000 0.806 218 A CB 0.347 19.387 19.000 0.067 0.000 0.847 218 A HN 0.366 nan 8.150 nan 0.000 0.482 219 G N -0.526 108.402 108.800 0.213 0.000 2.159 219 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.227 219 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.227 219 G C -0.174 174.773 174.900 0.079 0.000 0.986 219 G CA -0.045 45.109 45.100 0.091 0.000 0.651 219 G HN 0.436 nan 8.290 nan 0.000 0.523 220 N N -0.119 118.661 118.700 0.134 0.000 2.482 220 N HA 0.494 5.234 4.740 -0.000 0.000 0.260 220 N C -0.189 175.419 175.510 0.162 0.000 1.236 220 N CA 0.303 53.446 53.050 0.156 0.000 0.938 220 N CB 2.026 40.660 38.487 0.245 0.000 1.128 220 N HN 0.163 nan 8.380 nan 0.000 0.448 221 V N 2.075 121.964 119.914 -0.041 0.000 2.760 221 V HA 0.522 4.641 4.120 -0.000 0.000 0.309 221 V C -0.052 175.700 176.094 -0.570 0.000 1.077 221 V CA -0.846 61.298 62.300 -0.261 0.000 0.910 221 V CB 2.050 33.719 31.823 -0.255 0.000 1.008 221 V HN 0.574 nan 8.190 nan 0.000 0.424 222 I N 0.501 120.619 120.570 -0.754 0.000 2.785 222 I HA 0.801 4.971 4.170 -0.000 0.000 0.302 222 I C -1.561 174.307 176.117 -0.414 0.000 1.069 222 I CA -0.626 60.224 61.300 -0.749 0.000 1.045 222 I CB 2.373 39.749 38.000 -1.039 0.000 1.236 222 I HN 0.389 nan 8.210 nan 0.000 0.429 223 F N 2.146 122.341 119.950 0.409 0.000 2.546 223 F HA 0.639 5.166 4.527 -0.000 0.000 0.320 223 F C 0.152 176.106 175.800 0.257 0.000 1.076 223 F CA -0.676 57.501 58.000 0.296 0.000 0.928 223 F CB 1.847 40.937 39.000 0.150 0.000 1.189 223 F HN 0.456 nan 8.300 nan 0.000 0.465 224 R N 2.684 123.257 120.500 0.120 0.000 2.346 224 R HA 0.411 4.751 4.340 -0.000 0.000 0.311 224 R C -0.007 176.000 176.300 -0.489 0.000 0.983 224 R CA -0.278 55.585 56.100 -0.396 0.000 0.880 224 R CB 0.744 30.446 30.300 -0.997 0.000 1.100 224 R HN 0.799 nan 8.270 nan 0.000 0.453 225 K N 0.368 120.290 120.400 -0.798 0.000 2.020 225 K HA -0.302 4.018 4.320 -0.000 0.000 0.142 225 K C 0.749 176.639 176.600 -1.183 0.000 1.458 225 K CA 1.826 57.162 56.287 -1.585 0.000 0.544 225 K CB -1.329 30.539 32.500 -1.054 0.000 0.566 225 K HN 0.767 nan 8.250 nan 0.000 0.927 226 S N 0.396 115.654 115.700 -0.736 0.000 2.650 226 S HA 0.212 4.682 4.470 -0.000 0.000 0.219 226 S C 1.493 175.964 174.600 -0.215 0.000 0.960 226 S CA 0.567 58.578 58.200 -0.315 0.000 0.925 226 S CB 0.337 63.440 63.200 -0.162 0.000 0.775 226 S HN 0.598 nan 8.310 nan 0.000 0.525 227 A N 1.765 124.461 122.820 -0.207 0.000 2.209 227 A HA 0.117 4.437 4.320 -0.000 0.000 0.212 227 A C 2.160 179.727 177.584 -0.029 0.000 1.158 227 A CA 0.686 52.681 52.037 -0.070 0.000 0.742 227 A CB -0.567 18.395 19.000 -0.064 0.000 0.790 227 A HN 0.602 nan 8.150 nan 0.000 0.472 228 R N 0.813 121.231 120.500 -0.136 0.000 2.075 228 R HA -0.225 4.114 4.340 -0.000 0.000 0.230 228 R C 1.687 177.773 176.300 -0.358 0.000 1.140 228 R CA 2.033 57.918 56.100 -0.359 0.000 0.928 228 R CB -0.522 29.542 30.300 -0.393 0.000 0.834 228 R HN 0.701 nan 8.270 nan 0.000 0.429 229 N N -1.028 117.511 118.700 -0.267 0.000 1.167 229 N HA -0.359 4.381 4.740 -0.000 0.000 0.140 229 N C 0.923 176.277 175.510 -0.261 0.000 0.473 229 N CA 2.610 55.531 53.050 -0.214 0.000 0.991 229 N CB -1.553 36.939 38.487 0.008 0.000 1.437 229 N HN 0.260 nan 8.380 nan 0.000 0.473 230 F N 0.131 120.053 119.950 -0.047 0.000 2.743 230 F HA 0.269 4.796 4.527 -0.000 0.000 0.297 230 F C 2.162 177.909 175.800 -0.088 0.000 1.131 230 F CA 0.044 58.022 58.000 -0.038 0.000 1.426 230 F CB -0.250 38.768 39.000 0.030 0.000 1.116 230 F HN 0.253 nan 8.300 nan 0.000 0.583 231 N N 0.789 119.498 118.700 0.016 0.000 2.094 231 N HA -0.216 4.524 4.740 -0.000 0.000 0.191 231 N C 2.075 177.492 175.510 -0.154 0.000 1.023 231 N CA 1.368 54.401 53.050 -0.028 0.000 0.857 231 N CB -0.545 37.949 38.487 0.012 0.000 1.013 231 N HN 0.350 nan 8.380 nan 0.000 0.426 232 L N 1.801 122.744 121.223 -0.466 0.000 1.988 232 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 232 L C -0.810 175.948 176.870 -0.187 0.000 1.071 232 L CA 1.388 55.993 54.840 -0.391 0.000 0.744 232 L CB -1.237 40.495 42.059 -0.544 0.000 0.893 232 L HN 0.089 nan 8.230 nan 0.000 0.433 233 P HA -0.196 nan 4.420 nan 0.000 0.217 233 P C 1.798 179.056 177.300 -0.071 0.000 1.150 233 P CA 1.778 64.805 63.100 -0.121 0.000 0.832 233 P CB -0.143 31.507 31.700 -0.084 0.000 0.787 234 M N -1.045 118.554 119.600 -0.001 0.000 2.267 234 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 234 M C 2.211 178.507 176.300 -0.007 0.000 1.063 234 M CA 1.366 56.684 55.300 0.030 0.000 1.090 234 M CB -1.001 31.648 32.600 0.081 0.000 1.392 234 M HN -0.012 nan 8.290 nan 0.000 0.422 235 C N 0.724 120.002 119.300 -0.037 0.000 2.410 235 C HA -0.136 4.324 4.460 -0.000 0.000 0.281 235 C C 2.292 177.192 174.990 -0.151 0.000 1.318 235 C CA 1.045 60.029 59.018 -0.058 0.000 1.776 235 C CB -0.966 26.758 27.740 -0.027 0.000 1.942 235 C HN 0.485 nan 8.230 nan 0.000 0.508 236 K N 0.195 120.430 120.400 -0.274 0.000 2.367 236 K HA 0.238 4.558 4.320 -0.000 0.000 0.194 236 K C 1.312 177.867 176.600 -0.075 0.000 1.027 236 K CA 0.624 56.697 56.287 -0.358 0.000 1.075 236 K CB 0.203 32.308 32.500 -0.658 0.000 0.845 236 K HN 0.362 nan 8.250 nan 0.000 0.529 237 A N 0.879 123.679 122.820 -0.032 0.000 2.508 237 A HA 0.495 4.815 4.320 -0.000 0.000 0.257 237 A C 0.303 177.909 177.584 0.037 0.000 1.226 237 A CA -0.256 51.789 52.037 0.013 0.000 0.947 237 A CB 0.495 19.502 19.000 0.011 0.000 1.079 237 A HN 0.166 nan 8.150 nan 0.000 0.531 238 A N -1.182 121.667 122.820 0.049 0.000 2.374 238 A HA 0.662 4.982 4.320 -0.000 0.000 0.317 238 A C 0.872 178.486 177.584 0.049 0.000 1.094 238 A CA 0.461 52.523 52.037 0.041 0.000 0.765 238 A CB 0.690 19.719 19.000 0.047 0.000 1.268 238 A HN 0.565 nan 8.150 nan 0.000 0.438 239 E N 0.634 120.812 120.200 -0.036 0.000 2.085 239 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 239 E C 0.677 177.197 176.600 -0.133 0.000 0.994 239 E CA 2.069 58.414 56.400 -0.093 0.000 0.801 239 E CB -0.464 29.137 29.700 -0.164 0.000 0.743 239 E HN 0.693 nan 8.360 nan 0.000 0.453 240 T N 0.909 115.324 114.554 -0.231 0.000 2.847 240 T HA 0.469 4.819 4.350 -0.000 0.000 0.291 240 T C -0.347 174.414 174.700 0.102 0.000 0.998 240 T CA 0.116 62.163 62.100 -0.087 0.000 0.967 240 T CB 1.421 69.987 68.868 -0.504 0.000 0.954 240 T HN 0.433 nan 8.240 nan 0.000 0.441 241 T N 0.664 115.385 114.554 0.278 0.000 2.795 241 T HA 0.675 5.025 4.350 -0.000 0.000 0.282 241 T C -0.329 174.424 174.700 0.089 0.000 0.980 241 T CA -0.634 61.515 62.100 0.081 0.000 1.012 241 T CB 0.686 69.515 68.868 -0.065 0.000 0.936 241 T HN 0.276 nan 8.240 nan 0.000 0.457 242 V N 4.415 124.394 119.914 0.108 0.000 2.409 242 V HA 0.548 4.668 4.120 -0.000 0.000 0.291 242 V C -0.224 175.905 176.094 0.059 0.000 1.020 242 V CA -0.852 61.494 62.300 0.076 0.000 0.848 242 V CB 1.449 33.323 31.823 0.085 0.000 0.990 242 V HN 0.891 nan 8.190 nan 0.000 0.430 243 V N 5.025 124.960 119.914 0.035 0.000 2.448 243 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 243 V C -0.027 176.100 176.094 0.054 0.000 1.025 243 V CA -0.660 61.668 62.300 0.047 0.000 0.859 243 V CB 1.867 33.701 31.823 0.019 0.000 0.988 243 V HN 1.056 nan 8.190 nan 0.000 0.431 244 E N 4.641 124.899 120.200 0.098 0.000 2.175 244 E HA 0.722 5.072 4.350 -0.000 0.000 0.278 244 E C -0.762 175.936 176.600 0.164 0.000 0.969 244 E CA -0.716 55.773 56.400 0.148 0.000 0.796 244 E CB 2.212 32.031 29.700 0.198 0.000 1.104 244 E HN 0.500 nan 8.360 nan 0.000 0.395 245 V N 0.097 120.113 119.914 0.171 0.000 3.046 245 V HA 0.376 4.496 4.120 -0.000 0.000 0.316 245 V C 0.347 176.556 176.094 0.193 0.000 1.104 245 V CA -0.763 61.611 62.300 0.123 0.000 1.006 245 V CB 1.741 33.605 31.823 0.068 0.000 1.058 245 V HN 0.847 nan 8.190 nan 0.000 0.440 246 E N 0.490 120.757 120.200 0.111 0.000 2.340 246 E HA 0.196 4.546 4.350 -0.000 0.000 0.194 246 E C 0.318 177.023 176.600 0.175 0.000 0.996 246 E CA 0.554 57.053 56.400 0.165 0.000 0.869 246 E CB 0.652 30.368 29.700 0.028 0.000 0.835 246 E HN 0.842 nan 8.360 nan 0.000 0.493 247 E N 0.776 121.037 120.200 0.102 0.000 2.308 247 E HA 0.362 4.712 4.350 -0.000 0.000 0.275 247 E C -1.469 175.151 176.600 0.033 0.000 0.890 247 E CA -0.450 55.982 56.400 0.054 0.000 0.754 247 E CB 1.539 31.237 29.700 -0.003 0.000 1.207 247 E HN -0.061 nan 8.360 nan 0.000 0.426 248 I N 4.680 125.277 120.570 0.045 0.000 2.378 248 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 248 I C -0.135 175.962 176.117 -0.033 0.000 0.992 248 I CA -0.890 60.436 61.300 0.044 0.000 1.154 248 I CB 1.588 39.659 38.000 0.119 0.000 1.315 248 I HN 0.381 nan 8.210 nan 0.000 0.448 249 V N 1.917 121.771 119.914 -0.101 0.000 3.046 249 V HA 0.581 4.701 4.120 -0.000 0.000 0.316 249 V C -0.439 175.520 176.094 -0.224 0.000 1.104 249 V CA -0.923 61.268 62.300 -0.182 0.000 1.006 249 V CB 1.948 33.607 31.823 -0.274 0.000 1.058 249 V HN 0.474 nan 8.190 nan 0.000 0.440 250 D N 1.185 121.455 120.400 -0.217 0.000 2.399 250 D HA 0.347 4.987 4.640 -0.000 0.000 0.241 250 D C 0.348 176.498 176.300 -0.251 0.000 1.133 250 D CA 0.305 54.188 54.000 -0.196 0.000 0.890 250 D CB 1.217 41.926 40.800 -0.152 0.000 1.201 250 D HN 0.594 nan 8.370 nan 0.000 0.432 251 I N 0.998 121.456 120.570 -0.186 0.000 2.821 251 I HA -0.004 4.165 4.170 -0.000 0.000 0.294 251 I C 1.660 177.679 176.117 -0.164 0.000 1.210 251 I CA 1.007 62.208 61.300 -0.166 0.000 1.430 251 I CB 0.137 38.079 38.000 -0.097 0.000 1.356 251 I HN 0.717 nan 8.210 nan 0.000 0.563 252 G N 4.142 112.837 108.800 -0.175 0.000 2.176 252 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.232 252 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.232 252 G C 0.933 175.738 174.900 -0.158 0.000 0.986 252 G CA 0.262 45.286 45.100 -0.127 0.000 0.643 252 G HN 0.849 nan 8.290 nan 0.000 0.522 253 A N -0.537 122.103 122.820 -0.300 0.000 2.016 253 A HA 0.603 4.923 4.320 -0.000 0.000 0.217 253 A C 0.715 178.187 177.584 -0.187 0.000 1.162 253 A CA 0.853 52.709 52.037 -0.301 0.000 0.662 253 A CB -0.159 18.587 19.000 -0.424 0.000 0.812 253 A HN 0.574 nan 8.150 nan 0.000 0.450 254 F N 0.182 120.079 119.950 -0.089 0.000 2.394 254 F HA 0.603 5.130 4.527 -0.000 0.000 0.340 254 F C 0.854 176.620 175.800 -0.056 0.000 1.105 254 F CA -1.666 56.278 58.000 -0.093 0.000 1.124 254 F CB 0.585 39.516 39.000 -0.115 0.000 1.145 254 F HN 0.141 nan 8.300 nan 0.000 0.505 255 A N 5.741 128.651 122.820 0.150 0.000 2.548 255 A HA 0.228 4.548 4.320 -0.000 0.000 0.247 255 A C -1.295 176.342 177.584 0.088 0.000 1.067 255 A CA -0.912 51.177 52.037 0.086 0.000 0.757 255 A CB -0.342 18.695 19.000 0.063 0.000 0.996 255 A HN 0.602 nan 8.150 nan 0.000 0.504 256 P HA -0.167 nan 4.420 nan 0.000 0.218 256 P C 0.662 177.995 177.300 0.055 0.000 1.148 256 P CA 1.353 64.491 63.100 0.064 0.000 0.822 256 P CB 0.222 31.950 31.700 0.046 0.000 0.784 257 E N -0.181 120.048 120.200 0.050 0.000 2.268 257 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 257 E C 0.832 177.470 176.600 0.063 0.000 0.995 257 E CA 0.907 57.337 56.400 0.051 0.000 0.836 257 E CB -0.463 29.264 29.700 0.045 0.000 0.763 257 E HN 0.321 nan 8.360 nan 0.000 0.491 258 D N -0.290 120.139 120.400 0.048 0.000 2.501 258 D HA 0.136 4.776 4.640 -0.000 0.000 0.226 258 D C -0.233 176.003 176.300 -0.107 0.000 1.198 258 D CA -0.040 53.980 54.000 0.033 0.000 0.830 258 D CB 0.339 41.152 40.800 0.021 0.000 1.014 258 D HN 0.165 nan 8.370 nan 0.000 0.496 259 I N 0.950 121.485 120.570 -0.059 0.000 2.337 259 I HA 0.082 4.252 4.170 -0.000 0.000 0.291 259 I C 1.478 177.613 176.117 0.031 0.000 1.046 259 I CA -0.272 60.938 61.300 -0.150 0.000 1.324 259 I CB 0.862 38.855 38.000 -0.012 0.000 1.409 259 I HN -0.022 nan 8.210 nan 0.000 0.494 260 H N 5.956 125.019 119.070 -0.010 0.000 2.363 260 H HA 0.154 4.710 4.556 -0.000 0.000 0.301 260 H C 0.082 175.539 175.328 0.216 0.000 1.074 260 H CA 0.461 56.598 56.048 0.148 0.000 1.354 260 H CB 0.530 30.498 29.762 0.344 0.000 1.397 260 H HN 0.315 nan 8.280 nan 0.000 0.516 261 I N 1.988 122.735 120.570 0.295 0.000 2.448 261 I HA 0.224 4.394 4.170 -0.000 0.000 0.281 261 I C -2.500 173.734 176.117 0.195 0.000 1.027 261 I CA -2.951 58.520 61.300 0.286 0.000 1.111 261 I CB 1.581 39.765 38.000 0.306 0.000 1.236 261 I HN -0.143 nan 8.210 nan 0.000 0.452 262 P HA 0.046 nan 4.420 nan 0.000 0.268 262 P C 0.851 178.198 177.300 0.078 0.000 1.208 262 P CA -0.162 63.004 63.100 0.110 0.000 0.777 262 P CB 0.398 32.127 31.700 0.049 0.000 0.875 263 Q N 2.283 122.108 119.800 0.042 0.000 2.248 263 Q HA -0.204 4.136 4.340 -0.000 0.000 0.208 263 Q C 1.688 177.682 176.000 -0.010 0.000 0.984 263 Q CA 1.506 57.327 55.803 0.031 0.000 0.875 263 Q CB -0.898 27.866 28.738 0.043 0.000 0.910 263 Q HN 0.454 nan 8.270 nan 0.000 0.433 264 I N 0.042 120.553 120.570 -0.099 0.000 2.423 264 I HA -0.279 3.891 4.170 -0.000 0.000 0.254 264 I C 1.023 177.054 176.117 -0.143 0.000 1.151 264 I CA 1.208 62.405 61.300 -0.172 0.000 1.421 264 I CB 0.076 37.869 38.000 -0.346 0.000 1.079 264 I HN 0.142 nan 8.210 nan 0.000 0.431 265 Y N -0.314 119.966 120.300 -0.033 0.000 2.482 265 Y HA 0.249 4.799 4.550 -0.000 0.000 0.270 265 Y C 0.485 176.169 175.900 -0.359 0.000 1.152 265 Y CA -0.213 57.805 58.100 -0.136 0.000 1.292 265 Y CB -0.014 38.414 38.460 -0.052 0.000 1.070 265 Y HN -0.179 nan 8.280 nan 0.000 0.528 266 V N 0.432 120.271 119.914 -0.125 0.000 2.334 266 V HA 0.169 4.289 4.120 -0.000 0.000 0.281 266 V C -0.043 175.965 176.094 -0.145 0.000 1.016 266 V CA -0.518 61.682 62.300 -0.167 0.000 0.832 266 V CB 0.990 32.780 31.823 -0.054 0.000 0.999 266 V HN 0.383 nan 8.190 nan 0.000 0.439 267 H N 3.120 122.214 119.070 0.041 0.000 2.506 267 H HA 0.359 4.915 4.556 -0.000 0.000 0.289 267 H C 0.565 175.927 175.328 0.058 0.000 1.009 267 H CA 0.002 56.074 56.048 0.040 0.000 1.303 267 H CB 0.602 30.386 29.762 0.036 0.000 1.453 267 H HN 0.396 nan 8.280 nan 0.000 0.526 268 R N 1.044 121.632 120.500 0.147 0.000 2.628 268 R HA 0.452 4.791 4.340 -0.000 0.000 0.288 268 R C -1.930 174.380 176.300 0.017 0.000 0.980 268 R CA -0.971 55.222 56.100 0.155 0.000 0.891 268 R CB 2.805 33.176 30.300 0.118 0.000 1.188 268 R HN -0.051 nan 8.270 nan 0.000 0.450 269 L N 3.890 125.090 121.223 -0.038 0.000 2.410 269 L HA 0.618 4.958 4.340 -0.000 0.000 0.270 269 L C -1.350 175.510 176.870 -0.018 0.000 0.983 269 L CA -0.812 53.918 54.840 -0.183 0.000 0.822 269 L CB 1.949 43.622 42.059 -0.643 0.000 1.285 269 L HN 0.729 nan 8.230 nan 0.000 0.409 270 I N 3.195 123.797 120.570 0.052 0.000 2.686 270 I HA 0.423 4.593 4.170 -0.000 0.000 0.295 270 I C -0.887 175.316 176.117 0.143 0.000 1.114 270 I CA -0.743 60.639 61.300 0.136 0.000 1.038 270 I CB 1.775 39.849 38.000 0.123 0.000 1.238 270 I HN 0.711 nan 8.210 nan 0.000 0.420 271 K N 5.892 126.395 120.400 0.173 0.000 2.316 271 K HA 0.439 4.759 4.320 -0.000 0.000 0.289 271 K C 0.136 176.835 176.600 0.164 0.000 1.070 271 K CA -0.255 56.142 56.287 0.184 0.000 0.928 271 K CB 0.765 33.367 32.500 0.170 0.000 1.039 271 K HN 0.800 nan 8.250 nan 0.000 0.480 272 G N 3.440 112.378 108.800 0.229 0.000 2.559 272 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.235 272 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.235 272 G C 0.196 175.042 174.900 -0.089 0.000 1.266 272 G CA -0.368 44.737 45.100 0.008 0.000 0.847 272 G HN 0.885 nan 8.290 nan 0.000 0.583 273 E N 1.184 121.263 120.200 -0.201 0.000 2.075 273 E HA 0.182 4.532 4.350 -0.000 0.000 0.190 273 E C 1.291 177.793 176.600 -0.164 0.000 0.969 273 E CA 1.252 57.582 56.400 -0.116 0.000 0.815 273 E CB -0.004 29.647 29.700 -0.082 0.000 0.776 273 E HN 0.542 nan 8.360 nan 0.000 0.457 274 K N 0.969 121.167 120.400 -0.336 0.000 2.468 274 K HA 0.510 4.830 4.320 -0.000 0.000 0.252 274 K C -1.854 174.493 176.600 -0.421 0.000 0.932 274 K CA -0.662 55.494 56.287 -0.218 0.000 0.794 274 K CB 1.065 33.510 32.500 -0.092 0.000 1.241 274 K HN 0.039 nan 8.250 nan 0.000 0.428 275 Y N 1.865 122.221 120.300 0.093 0.000 2.349 275 Y HA 0.243 4.793 4.550 -0.000 0.000 0.324 275 Y C 1.113 177.081 175.900 0.113 0.000 1.005 275 Y CA -1.053 57.117 58.100 0.115 0.000 1.240 275 Y CB 2.129 40.652 38.460 0.105 0.000 1.117 275 Y HN 0.892 nan 8.280 nan 0.000 0.463 276 E N 2.131 122.505 120.200 0.289 0.000 2.072 276 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 276 E C -0.047 176.626 176.600 0.121 0.000 0.982 276 E CA 0.533 57.036 56.400 0.172 0.000 0.803 276 E CB 0.056 29.857 29.700 0.168 0.000 0.755 276 E HN 0.501 nan 8.360 nan 0.000 0.453 277 K N 1.539 122.071 120.400 0.219 0.000 3.730 277 K HA -0.209 4.111 4.320 -0.000 0.000 0.276 277 K C -0.215 176.367 176.600 -0.030 0.000 0.904 277 K CA 0.071 56.439 56.287 0.135 0.000 0.741 277 K CB -1.057 31.508 32.500 0.108 0.000 1.542 277 K HN 0.141 nan 8.250 nan 0.000 0.446 278 R N 0.996 121.353 120.500 -0.238 0.000 2.623 278 R HA 0.172 4.512 4.340 -0.000 0.000 0.271 278 R C 0.266 176.460 176.300 -0.175 0.000 1.043 278 R CA 0.215 56.085 56.100 -0.382 0.000 1.083 278 R CB 0.421 30.120 30.300 -1.001 0.000 0.974 278 R HN 0.291 nan 8.270 nan 0.000 0.436 279 I N 3.008 123.506 120.570 -0.120 0.000 2.362 279 I HA 0.045 4.215 4.170 -0.000 0.000 0.289 279 I C 1.371 177.458 176.117 -0.049 0.000 0.994 279 I CA -0.111 61.159 61.300 -0.050 0.000 1.158 279 I CB 1.825 39.809 38.000 -0.027 0.000 1.315 279 I HN 0.757 nan 8.210 nan 0.000 0.451 280 E N 5.903 126.093 120.200 -0.016 0.000 2.072 280 E HA -0.006 4.344 4.350 -0.000 0.000 0.190 280 E C 0.375 176.976 176.600 0.002 0.000 0.982 280 E CA 1.008 57.405 56.400 -0.005 0.000 0.803 280 E CB 0.491 30.205 29.700 0.024 0.000 0.755 280 E HN 0.478 nan 8.360 nan 0.000 0.453 281 R N 0.643 121.151 120.500 0.014 0.000 2.483 281 R HA 0.280 4.620 4.340 -0.000 0.000 0.303 281 R C -1.511 174.794 176.300 0.008 0.000 0.987 281 R CA -0.670 55.436 56.100 0.010 0.000 0.881 281 R CB 1.594 31.908 30.300 0.024 0.000 1.177 281 R HN 0.044 nan 8.270 nan 0.000 0.451 282 L N 2.918 124.135 121.223 -0.010 0.000 2.312 282 L HA 0.306 4.646 4.340 -0.000 0.000 0.287 282 L C -0.839 176.010 176.870 -0.034 0.000 1.091 282 L CA 0.389 55.221 54.840 -0.013 0.000 0.846 282 L CB 1.043 43.089 42.059 -0.022 0.000 1.219 282 L HN 0.478 nan 8.230 nan 0.000 0.439 283 S N 6.696 122.384 115.700 -0.020 0.000 2.498 283 S HA 0.618 5.088 4.470 -0.000 0.000 0.324 283 S C -0.399 174.164 174.600 -0.061 0.000 1.071 283 S CA -0.597 57.540 58.200 -0.104 0.000 1.113 283 S CB 0.836 63.958 63.200 -0.131 0.000 0.976 283 S HN 0.345 nan 8.310 nan 0.000 0.462 284 I N 3.681 124.185 120.570 -0.109 0.000 2.441 284 I HA 0.406 4.576 4.170 -0.000 0.000 0.295 284 I C 0.810 176.894 176.117 -0.055 0.000 0.994 284 I CA -1.038 60.232 61.300 -0.051 0.000 1.144 284 I CB 1.565 39.520 38.000 -0.074 0.000 1.314 284 I HN 0.683 nan 8.210 nan 0.000 0.445 300 D N -0.435 119.936 120.400 -0.049 0.000 2.104 300 D HA -0.116 4.524 4.640 -0.000 0.000 0.194 300 D C 2.159 178.375 176.300 -0.140 0.000 0.994 300 D CA 3.379 57.330 54.000 -0.081 0.000 0.830 300 D CB -0.709 40.045 40.800 -0.076 0.000 0.959 300 D HN 0.847 nan 8.370 nan 0.000 0.452 301 V N -1.242 118.590 119.914 -0.137 0.000 2.407 301 V HA -0.138 3.981 4.120 -0.000 0.000 0.248 301 V C 2.343 178.352 176.094 -0.142 0.000 1.055 301 V CA 2.399 64.597 62.300 -0.170 0.000 1.049 301 V CB -0.627 31.121 31.823 -0.125 0.000 0.662 301 V HN 0.510 nan 8.190 nan 0.000 0.455 302 R N 0.818 121.260 120.500 -0.098 0.000 2.193 302 R HA -0.009 4.330 4.340 -0.000 0.000 0.213 302 R C 2.251 178.481 176.300 -0.115 0.000 1.055 302 R CA 1.484 57.536 56.100 -0.080 0.000 0.995 302 R CB -0.360 29.915 30.300 -0.042 0.000 0.893 302 R HN 0.682 nan 8.270 nan 0.000 0.459 303 E N 1.279 121.400 120.200 -0.132 0.000 2.107 303 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 303 E C 1.959 178.437 176.600 -0.204 0.000 0.982 303 E CA 1.110 57.392 56.400 -0.196 0.000 0.809 303 E CB -0.368 29.260 29.700 -0.120 0.000 0.756 303 E HN 0.528 nan 8.360 nan 0.000 0.459 304 R N -0.303 120.087 120.500 -0.183 0.000 2.081 304 R HA 0.055 4.395 4.340 -0.000 0.000 0.235 304 R C 2.524 178.759 176.300 -0.109 0.000 1.131 304 R CA 1.565 57.561 56.100 -0.173 0.000 0.960 304 R CB -0.481 29.558 30.300 -0.435 0.000 0.856 304 R HN 0.460 nan 8.270 nan 0.000 0.436 305 I N 0.343 120.840 120.570 -0.122 0.000 2.142 305 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 305 I C 2.200 178.273 176.117 -0.073 0.000 1.078 305 I CA 1.433 62.689 61.300 -0.073 0.000 1.343 305 I CB -0.238 37.727 38.000 -0.058 0.000 1.046 305 I HN 0.097 nan 8.210 nan 0.000 0.405 306 I N 0.537 121.029 120.570 -0.129 0.000 2.226 306 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 306 I C 2.364 178.348 176.117 -0.220 0.000 1.100 306 I CA 1.508 62.704 61.300 -0.173 0.000 1.374 306 I CB -0.325 37.481 38.000 -0.324 0.000 1.057 306 I HN 0.143 nan 8.210 nan 0.000 0.413 307 K N -0.030 120.197 120.400 -0.288 0.000 2.362 307 K HA -0.173 4.147 4.320 -0.000 0.000 0.200 307 K C 2.119 178.704 176.600 -0.026 0.000 1.046 307 K CA 0.724 56.904 56.287 -0.178 0.000 0.952 307 K CB -0.013 32.406 32.500 -0.135 0.000 0.753 307 K HN 0.085 nan 8.250 nan 0.000 0.466 308 R N 0.937 121.429 120.500 -0.013 0.000 2.128 308 R HA 0.125 4.465 4.340 -0.000 0.000 0.211 308 R C 1.864 178.169 176.300 0.008 0.000 1.067 308 R CA 1.189 57.300 56.100 0.018 0.000 1.010 308 R CB -0.491 29.829 30.300 0.033 0.000 0.922 308 R HN 0.063 nan 8.270 nan 0.000 0.457 309 A N 0.827 123.649 122.820 0.004 0.000 1.940 309 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 309 A C 2.330 179.950 177.584 0.061 0.000 1.176 309 A CA 1.753 53.792 52.037 0.004 0.000 0.631 309 A CB -1.077 17.943 19.000 0.034 0.000 0.814 309 A HN 0.444 nan 8.150 nan 0.000 0.446 310 A N -0.190 122.729 122.820 0.166 0.000 1.986 310 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 310 A C 1.951 179.700 177.584 0.274 0.000 1.171 310 A CA 1.604 53.836 52.037 0.324 0.000 0.640 310 A CB -0.624 18.518 19.000 0.238 0.000 0.811 310 A HN 0.522 nan 8.150 nan 0.000 0.451 311 L N -0.581 120.708 121.223 0.110 0.000 2.610 311 L HA -0.002 4.338 4.340 -0.000 0.000 0.232 311 L C 1.751 178.611 176.870 -0.016 0.000 1.149 311 L CA 0.179 55.054 54.840 0.059 0.000 0.872 311 L CB -0.282 41.797 42.059 0.033 0.000 0.992 311 L HN 0.253 nan 8.230 nan 0.000 0.447 312 E N 0.179 120.297 120.200 -0.137 0.000 2.427 312 E HA 0.039 4.389 4.350 -0.000 0.000 0.196 312 E C 0.155 176.539 176.600 -0.359 0.000 1.028 312 E CA 0.410 56.638 56.400 -0.287 0.000 0.864 312 E CB 0.095 29.540 29.700 -0.425 0.000 0.813 312 E HN 0.237 nan 8.360 nan 0.000 0.514 313 F N 1.184 121.135 119.950 0.001 0.000 2.379 313 F HA 0.272 4.799 4.527 -0.000 0.000 0.332 313 F C 0.922 176.709 175.800 -0.023 0.000 1.096 313 F CA -0.332 57.659 58.000 -0.014 0.000 1.105 313 F CB 1.022 40.008 39.000 -0.023 0.000 1.189 313 F HN -0.294 nan 8.300 nan 0.000 0.515 314 E N 0.042 120.337 120.200 0.158 0.000 2.369 314 E HA 0.191 4.541 4.350 -0.000 0.000 0.270 314 E C -1.673 174.943 176.600 0.026 0.000 0.909 314 E CA -1.174 55.267 56.400 0.068 0.000 0.775 314 E CB 1.963 31.685 29.700 0.037 0.000 1.270 314 E HN 0.388 nan 8.360 nan 0.000 0.445 315 D N -0.191 120.205 120.400 -0.006 0.000 2.425 315 D HA 0.222 4.862 4.640 -0.000 0.000 0.247 315 D C 0.890 177.157 176.300 -0.055 0.000 1.147 315 D CA 1.758 55.727 54.000 -0.052 0.000 0.879 315 D CB 0.658 41.438 40.800 -0.032 0.000 1.179 315 D HN 0.635 nan 8.370 nan 0.000 0.456 316 G N 3.348 112.072 108.800 -0.126 0.000 2.179 316 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 316 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 316 G C 0.578 175.406 174.900 -0.121 0.000 0.977 316 G CA 0.373 45.431 45.100 -0.070 0.000 0.641 316 G HN 0.593 nan 8.290 nan 0.000 0.533 317 M N 0.727 120.247 119.600 -0.134 0.000 2.228 317 M HA 0.548 5.028 4.480 -0.000 0.000 0.351 317 M C -0.288 175.890 176.300 -0.204 0.000 1.233 317 M CA -0.341 54.925 55.300 -0.056 0.000 1.129 317 M CB 0.298 32.928 32.600 0.050 0.000 1.604 317 M HN 0.134 nan 8.290 nan 0.000 0.457 318 Y N 3.606 124.009 120.300 0.172 0.000 2.367 318 Y HA 0.579 5.129 4.550 -0.000 0.000 0.342 318 Y C 0.159 176.136 175.900 0.127 0.000 0.979 318 Y CA -0.568 57.627 58.100 0.158 0.000 1.161 318 Y CB 0.915 39.439 38.460 0.107 0.000 1.155 318 Y HN 0.703 nan 8.280 nan 0.000 0.503 319 A N 3.670 126.618 122.820 0.214 0.000 2.386 319 A HA 0.516 4.836 4.320 -0.000 0.000 0.311 319 A C -1.012 176.668 177.584 0.160 0.000 1.068 319 A CA -0.905 51.258 52.037 0.209 0.000 0.743 319 A CB 1.209 20.420 19.000 0.350 0.000 1.258 319 A HN 0.690 nan 8.150 nan 0.000 0.429 320 N N 2.357 121.139 118.700 0.135 0.000 2.392 320 N HA 0.458 5.198 4.740 -0.000 0.000 0.283 320 N C -1.539 174.036 175.510 0.109 0.000 1.003 320 N CA -0.229 52.878 53.050 0.095 0.000 0.892 320 N CB 0.940 39.465 38.487 0.063 0.000 1.193 320 N HN 0.612 nan 8.380 nan 0.000 0.487 321 L N 2.693 123.974 121.223 0.097 0.000 2.280 321 L HA 0.451 4.791 4.340 -0.000 0.000 0.287 321 L C 1.280 178.201 176.870 0.086 0.000 1.023 321 L CA -0.941 53.965 54.840 0.110 0.000 0.819 321 L CB 1.454 43.580 42.059 0.111 0.000 1.212 321 L HN 0.499 nan 8.230 nan 0.000 0.420 322 G N 3.259 112.112 108.800 0.088 0.000 2.634 322 G HA2 0.394 4.354 3.960 -0.000 0.000 0.255 322 G HA3 0.394 4.354 3.960 -0.000 0.000 0.255 322 G C 0.161 175.105 174.900 0.074 0.000 1.205 322 G CA -0.727 44.420 45.100 0.078 0.000 0.884 322 G HN 0.700 nan 8.290 nan 0.000 0.549 323 I N -0.770 119.836 120.570 0.060 0.000 2.813 323 I HA 0.512 4.682 4.170 -0.000 0.000 0.287 323 I C 0.920 177.073 176.117 0.060 0.000 1.196 323 I CA 0.442 61.773 61.300 0.052 0.000 1.421 323 I CB 0.262 38.269 38.000 0.012 0.000 1.365 323 I HN 1.216 nan 8.210 nan 0.000 0.591 324 G N 4.407 113.245 108.800 0.063 0.000 2.464 324 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 324 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 324 G C 0.282 175.223 174.900 0.068 0.000 1.186 324 G CA -0.067 45.069 45.100 0.061 0.000 1.010 324 G HN 0.714 nan 8.290 nan 0.000 0.585 325 I N 2.289 122.895 120.570 0.060 0.000 2.286 325 I HA -0.092 4.078 4.170 -0.000 0.000 0.248 325 I C -0.090 176.075 176.117 0.080 0.000 1.115 325 I CA 2.017 63.352 61.300 0.059 0.000 1.392 325 I CB -1.120 36.903 38.000 0.038 0.000 1.065 325 I HN 0.289 nan 8.210 nan 0.000 0.418 326 P HA -0.143 nan 4.420 nan 0.000 0.218 326 P C 1.939 179.317 177.300 0.129 0.000 1.149 326 P CA 1.283 64.453 63.100 0.117 0.000 0.817 326 P CB 0.014 31.779 31.700 0.110 0.000 0.785 327 L N -1.147 120.144 121.223 0.114 0.000 1.989 327 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 327 L C 2.411 179.371 176.870 0.150 0.000 1.071 327 L CA 1.540 56.454 54.840 0.123 0.000 0.749 327 L CB -1.319 40.825 42.059 0.141 0.000 0.890 327 L HN -0.051 nan 8.230 nan 0.000 0.431 328 L N -0.217 121.099 121.223 0.156 0.000 2.189 328 L HA -0.235 4.105 4.340 -0.000 0.000 0.214 328 L C 2.701 179.715 176.870 0.241 0.000 1.097 328 L CA 1.183 56.135 54.840 0.187 0.000 0.764 328 L CB -0.940 41.205 42.059 0.144 0.000 0.900 328 L HN 0.279 nan 8.230 nan 0.000 0.436 329 A N 0.028 122.967 122.820 0.198 0.000 2.119 329 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 329 A C 2.495 180.197 177.584 0.198 0.000 1.152 329 A CA 1.197 53.376 52.037 0.236 0.000 0.708 329 A CB -0.400 18.740 19.000 0.234 0.000 0.805 329 A HN 0.511 nan 8.150 nan 0.000 0.460 330 S N 0.489 116.238 115.700 0.081 0.000 2.428 330 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 330 S C 1.456 176.023 174.600 -0.055 0.000 1.014 330 S CA 1.023 59.174 58.200 -0.082 0.000 0.957 330 S CB -0.611 62.518 63.200 -0.119 0.000 0.784 330 S HN 0.606 nan 8.310 nan 0.000 0.499 331 N N 0.432 119.155 118.700 0.038 0.000 2.459 331 N HA 0.071 4.811 4.740 -0.000 0.000 0.181 331 N C 0.355 175.725 175.510 -0.233 0.000 1.046 331 N CA 0.895 53.901 53.050 -0.073 0.000 0.904 331 N CB -0.230 38.231 38.487 -0.042 0.000 0.964 331 N HN 0.507 nan 8.380 nan 0.000 0.444 332 F N 0.722 120.661 119.950 -0.017 0.000 2.721 332 F HA 0.344 4.871 4.527 -0.000 0.000 0.301 332 F C 0.877 176.663 175.800 -0.024 0.000 1.096 332 F CA -0.444 57.555 58.000 -0.002 0.000 1.308 332 F CB 0.321 39.342 39.000 0.036 0.000 1.086 332 F HN -0.189 nan 8.300 nan 0.000 0.587 333 I N 1.140 121.723 120.570 0.022 0.000 2.752 333 I HA -0.131 4.039 4.170 -0.000 0.000 0.286 333 I C 1.061 177.141 176.117 -0.061 0.000 1.180 333 I CA 0.077 61.316 61.300 -0.102 0.000 1.404 333 I CB 0.120 37.913 38.000 -0.345 0.000 1.389 333 I HN 0.005 nan 8.210 nan 0.000 0.549 334 S N 9.769 125.466 115.700 -0.005 0.000 2.593 334 S HA 0.033 4.503 4.470 -0.000 0.000 0.300 334 S C -0.903 173.667 174.600 -0.051 0.000 1.267 334 S CA -0.944 57.250 58.200 -0.009 0.000 1.065 334 S CB 0.617 63.826 63.200 0.015 0.000 0.807 334 S HN 0.515 nan 8.310 nan 0.000 0.499 335 P HA 0.007 nan 4.420 nan 0.000 0.233 335 P C 0.386 177.655 177.300 -0.052 0.000 1.167 335 P CA 0.565 63.628 63.100 -0.061 0.000 0.770 335 P CB -0.016 31.651 31.700 -0.054 0.000 0.837 336 N N 0.360 119.038 118.700 -0.038 0.000 2.467 336 N HA 0.071 4.811 4.740 -0.000 0.000 0.184 336 N C 1.088 176.575 175.510 -0.037 0.000 1.106 336 N CA 0.314 53.345 53.050 -0.030 0.000 0.892 336 N CB 0.174 38.652 38.487 -0.016 0.000 0.969 336 N HN 0.415 nan 8.380 nan 0.000 0.454 337 I N -3.231 117.307 120.570 -0.053 0.000 3.108 337 I HA 0.501 4.670 4.170 -0.000 0.000 0.312 337 I C -0.776 175.269 176.117 -0.119 0.000 1.095 337 I CA -0.815 60.444 61.300 -0.070 0.000 1.000 337 I CB 2.162 40.132 38.000 -0.050 0.000 1.229 337 I HN -0.360 nan 8.210 nan 0.000 0.454 338 T N 2.793 117.249 114.554 -0.164 0.000 2.770 338 T HA 0.589 4.939 4.350 -0.000 0.000 0.283 338 T C -0.477 173.965 174.700 -0.430 0.000 0.988 338 T CA -0.451 61.478 62.100 -0.284 0.000 0.957 338 T CB 1.445 70.139 68.868 -0.290 0.000 0.930 338 T HN 0.410 nan 8.240 nan 0.000 0.443 339 V N 4.733 124.376 119.914 -0.452 0.000 2.409 339 V HA 0.313 4.433 4.120 -0.000 0.000 0.291 339 V C -0.318 175.463 176.094 -0.521 0.000 1.020 339 V CA -1.030 60.996 62.300 -0.456 0.000 0.848 339 V CB 1.172 32.793 31.823 -0.337 0.000 0.990 339 V HN 0.854 nan 8.190 nan 0.000 0.430 340 H N 5.574 124.488 119.070 -0.261 0.000 2.705 340 H HA 0.407 4.963 4.556 -0.000 0.000 0.291 340 H C -0.401 174.879 175.328 -0.080 0.000 1.085 340 H CA -0.262 55.668 56.048 -0.197 0.000 1.357 340 H CB 1.045 30.622 29.762 -0.307 0.000 1.419 340 H HN 0.434 nan 8.280 nan 0.000 0.462 341 L N 3.298 124.527 121.223 0.011 0.000 2.276 341 L HA 0.179 4.518 4.340 -0.000 0.000 0.286 341 L C 0.721 177.615 176.870 0.040 0.000 1.061 341 L CA -0.234 54.609 54.840 0.004 0.000 0.807 341 L CB 1.098 43.112 42.059 -0.075 0.000 1.177 341 L HN 0.426 nan 8.230 nan 0.000 0.429 342 Q N 2.169 122.010 119.800 0.068 0.000 2.245 342 Q HA 0.391 4.731 4.340 -0.000 0.000 0.256 342 Q C -1.206 174.788 176.000 -0.009 0.000 0.942 342 Q CA -0.166 55.672 55.803 0.058 0.000 0.896 342 Q CB 2.229 31.020 28.738 0.090 0.000 1.272 342 Q HN 0.580 nan 8.270 nan 0.000 0.442 343 S N 1.319 116.980 115.700 -0.065 0.000 2.502 343 S HA 0.132 4.602 4.470 -0.000 0.000 0.304 343 S C 0.758 175.237 174.600 -0.202 0.000 1.097 343 S CA -0.530 57.597 58.200 -0.121 0.000 1.045 343 S CB 1.018 64.129 63.200 -0.149 0.000 1.019 343 S HN 0.710 nan 8.310 nan 0.000 0.481 344 E N 3.428 123.490 120.200 -0.230 0.000 2.204 344 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 344 E C 0.980 177.341 176.600 -0.398 0.000 0.990 344 E CA 1.204 57.364 56.400 -0.399 0.000 0.821 344 E CB -0.411 29.138 29.700 -0.251 0.000 0.750 344 E HN 0.709 nan 8.360 nan 0.000 0.477 345 N N 1.191 119.569 118.700 -0.537 0.000 2.571 345 N HA -0.041 4.699 4.740 -0.000 0.000 0.189 345 N C 0.851 176.046 175.510 -0.526 0.000 1.154 345 N CA 1.084 53.650 53.050 -0.808 0.000 0.907 345 N CB 0.485 38.033 38.487 -1.565 0.000 0.977 345 N HN 0.346 nan 8.380 nan 0.000 0.449 346 G N -0.705 107.803 108.800 -0.486 0.000 2.337 346 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.134 346 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.134 346 G C -0.962 173.273 174.900 -1.107 0.000 1.052 346 G CA -0.160 44.503 45.100 -0.728 0.000 0.737 346 G HN 0.246 nan 8.290 nan 0.000 0.485 347 V N 0.118 119.528 119.914 -0.841 0.000 2.709 347 V HA 0.848 4.968 4.120 -0.000 0.000 0.308 347 V C -0.406 175.496 176.094 -0.319 0.000 1.062 347 V CA -1.097 60.817 62.300 -0.643 0.000 0.901 347 V CB 2.081 33.723 31.823 -0.303 0.000 1.003 347 V HN 0.598 nan 8.190 nan 0.000 0.425 348 L N 3.396 124.511 121.223 -0.180 0.000 2.376 348 L HA 0.923 5.263 4.340 -0.000 0.000 0.275 348 L C 0.353 177.187 176.870 -0.060 0.000 0.987 348 L CA 0.961 55.833 54.840 0.054 0.000 0.828 348 L CB 1.547 43.754 42.059 0.248 0.000 1.249 348 L HN 1.021 nan 8.230 nan 0.000 0.409 349 G N 4.596 113.380 108.800 -0.026 0.000 2.327 349 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.159 349 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.159 349 G C -0.285 174.551 174.900 -0.108 0.000 1.056 349 G CA -0.232 44.839 45.100 -0.048 0.000 0.751 349 G HN 0.617 nan 8.290 nan 0.000 0.488 350 L N 0.540 121.699 121.223 -0.108 0.000 2.490 350 L HA 0.474 4.814 4.340 -0.000 0.000 0.274 350 L C 1.476 178.263 176.870 -0.139 0.000 1.201 350 L CA 0.747 55.508 54.840 -0.130 0.000 0.869 350 L CB 0.586 42.564 42.059 -0.134 0.000 1.123 350 L HN 0.360 nan 8.230 nan 0.000 0.484 351 G N 3.210 111.924 108.800 -0.143 0.000 2.795 351 G HA2 0.644 4.604 3.960 -0.000 0.000 0.267 351 G HA3 0.644 4.604 3.960 -0.000 0.000 0.267 351 G C -2.636 172.144 174.900 -0.199 0.000 1.362 351 G CA -0.893 44.121 45.100 -0.143 0.000 1.048 351 G HN 0.404 nan 8.290 nan 0.000 0.547 352 P HA 0.176 nan 4.420 nan 0.000 0.274 352 P C -0.964 176.208 177.300 -0.213 0.000 1.260 352 P CA -0.429 62.552 63.100 -0.198 0.000 0.793 352 P CB 0.343 31.992 31.700 -0.085 0.000 1.048 353 Y N 0.188 120.465 120.300 -0.037 0.000 2.597 353 Y HA 0.099 4.649 4.550 -0.000 0.000 0.336 353 Y C -1.244 174.637 175.900 -0.033 0.000 1.216 353 Y CA -1.382 56.700 58.100 -0.030 0.000 1.463 353 Y CB -1.072 37.371 38.460 -0.029 0.000 1.303 353 Y HN 0.298 nan 8.280 nan 0.000 0.576 354 P HA 0.059 nan 4.420 nan 0.000 0.269 354 P C -0.457 176.860 177.300 0.030 0.000 1.215 354 P CA -0.187 62.944 63.100 0.052 0.000 0.780 354 P CB 0.715 32.439 31.700 0.040 0.000 0.898 355 R N 1.023 121.524 120.500 0.001 0.000 2.734 355 R HA -0.032 4.308 4.340 -0.000 0.000 0.266 355 R C 1.863 178.112 176.300 -0.085 0.000 1.044 355 R CA 0.055 56.133 56.100 -0.035 0.000 1.128 355 R CB -0.015 30.270 30.300 -0.025 0.000 1.010 355 R HN 0.524 nan 8.270 nan 0.000 0.461 356 Q N 1.214 120.905 119.800 -0.182 0.000 2.065 356 Q HA -0.269 4.070 4.340 -0.000 0.000 0.213 356 Q C 0.995 176.771 176.000 -0.374 0.000 1.012 356 Q CA 1.982 57.580 55.803 -0.343 0.000 0.876 356 Q CB -0.028 28.362 28.738 -0.581 0.000 0.954 356 Q HN 0.605 nan 8.270 nan 0.000 0.413 357 H N -0.702 118.371 119.070 0.005 0.000 2.533 357 H HA 0.090 4.646 4.556 -0.000 0.000 0.271 357 H C 0.641 175.972 175.328 0.005 0.000 1.000 357 H CA 1.100 57.151 56.048 0.004 0.000 1.149 357 H CB 0.159 29.924 29.762 0.004 0.000 1.375 357 H HN 0.691 nan 8.280 nan 0.000 0.582 358 E N 0.123 120.354 120.200 0.051 0.000 2.474 358 E HA 0.322 4.672 4.350 -0.000 0.000 0.195 358 E C 0.769 177.383 176.600 0.023 0.000 1.039 358 E CA -0.173 56.251 56.400 0.039 0.000 0.881 358 E CB 0.503 30.220 29.700 0.028 0.000 0.970 358 E HN 0.158 nan 8.360 nan 0.000 0.486 359 A N 1.652 124.483 122.820 0.018 0.000 2.511 359 A HA 0.098 4.418 4.320 -0.000 0.000 0.242 359 A C -0.250 177.340 177.584 0.010 0.000 1.069 359 A CA 0.108 52.156 52.037 0.017 0.000 0.763 359 A CB 0.328 19.335 19.000 0.013 0.000 1.001 359 A HN 0.231 nan 8.150 nan 0.000 0.498 360 D N 1.343 121.743 120.400 -0.001 0.000 2.787 360 D HA 0.505 5.145 4.640 -0.000 0.000 0.246 360 D C 0.798 177.082 176.300 -0.028 0.000 1.150 360 D CA 0.226 54.210 54.000 -0.026 0.000 0.864 360 D CB 1.993 42.760 40.800 -0.054 0.000 1.481 360 D HN 0.440 nan 8.370 nan 0.000 0.509 361 A N 3.221 126.022 122.820 -0.031 0.000 2.019 361 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 361 A C 1.241 178.807 177.584 -0.030 0.000 1.164 361 A CA 1.233 53.259 52.037 -0.018 0.000 0.644 361 A CB 0.014 19.007 19.000 -0.013 0.000 0.805 361 A HN 0.517 nan 8.150 nan 0.000 0.449 362 D N -1.371 118.975 120.400 -0.090 0.000 2.340 362 D HA 0.174 4.814 4.640 -0.000 0.000 0.220 362 D C -0.343 175.856 176.300 -0.169 0.000 1.039 362 D CA 0.350 54.262 54.000 -0.147 0.000 0.866 362 D CB 0.410 41.052 40.800 -0.263 0.000 0.913 362 D HN 0.292 nan 8.370 nan 0.000 0.523 363 L N 1.637 122.805 121.223 -0.092 0.000 2.427 363 L HA 0.394 4.734 4.340 -0.000 0.000 0.264 363 L C -0.803 176.075 176.870 0.013 0.000 0.989 363 L CA -0.813 54.000 54.840 -0.046 0.000 0.865 363 L CB 0.641 42.688 42.059 -0.018 0.000 1.209 363 L HN -0.089 nan 8.230 nan 0.000 0.430 364 I N 1.299 121.886 120.570 0.028 0.000 3.042 364 I HA 0.762 4.932 4.170 -0.000 0.000 0.310 364 I C -0.587 175.561 176.117 0.052 0.000 1.117 364 I CA -0.867 60.476 61.300 0.072 0.000 1.003 364 I CB 2.135 40.213 38.000 0.131 0.000 1.228 364 I HN 0.557 nan 8.210 nan 0.000 0.443 365 N N 2.352 121.101 118.700 0.083 0.000 2.566 365 N HA 0.508 5.248 4.740 -0.000 0.000 0.299 365 N C 0.569 176.182 175.510 0.172 0.000 1.277 365 N CA -0.199 52.885 53.050 0.057 0.000 0.965 365 N CB 0.667 39.173 38.487 0.031 0.000 1.142 365 N HN 0.810 nan 8.380 nan 0.000 0.596 366 A N -1.334 121.579 122.820 0.156 0.000 2.067 366 A HA 0.184 4.504 4.320 -0.000 0.000 0.217 366 A C 1.738 179.454 177.584 0.219 0.000 1.156 366 A CA 1.090 53.323 52.037 0.326 0.000 0.683 366 A CB -1.339 17.787 19.000 0.209 0.000 0.808 366 A HN 0.783 nan 8.150 nan 0.000 0.455 367 G N -0.852 108.026 108.800 0.131 0.000 2.956 367 G HA2 0.172 4.132 3.960 -0.000 0.000 0.207 367 G HA3 0.172 4.132 3.960 -0.000 0.000 0.207 367 G C 0.648 175.604 174.900 0.092 0.000 1.162 367 G CA 0.412 45.558 45.100 0.076 0.000 0.796 367 G HN 0.530 nan 8.290 nan 0.000 0.527 368 K N -0.501 119.991 120.400 0.154 0.000 3.160 368 K HA -0.168 4.152 4.320 -0.000 0.000 0.280 368 K C -0.302 176.370 176.600 0.119 0.000 1.154 368 K CA 0.852 57.225 56.287 0.142 0.000 0.822 368 K CB -1.236 31.306 32.500 0.070 0.000 1.239 368 K HN 0.566 nan 8.250 nan 0.000 0.489 369 E N 1.278 121.563 120.200 0.141 0.000 2.249 369 E HA 0.131 4.481 4.350 -0.000 0.000 0.280 369 E C 0.352 177.045 176.600 0.156 0.000 1.016 369 E CA -0.422 56.073 56.400 0.158 0.000 0.830 369 E CB 0.967 30.828 29.700 0.269 0.000 1.081 369 E HN 0.209 nan 8.360 nan 0.000 0.395 370 T N -0.498 114.135 114.554 0.132 0.000 2.902 370 T HA 0.283 4.633 4.350 -0.000 0.000 0.301 370 T C 0.363 175.156 174.700 0.154 0.000 1.012 370 T CA -0.761 61.405 62.100 0.110 0.000 1.151 370 T CB 0.219 69.132 68.868 0.075 0.000 0.946 370 T HN 0.306 nan 8.240 nan 0.000 0.542 371 V N -0.060 119.897 119.914 0.071 0.000 3.156 371 V HA 0.967 5.087 4.120 -0.000 0.000 0.310 371 V C 0.072 176.159 176.094 -0.011 0.000 1.234 371 V CA -0.646 61.650 62.300 -0.006 0.000 1.065 371 V CB 1.542 33.312 31.823 -0.088 0.000 1.088 371 V HN 1.246 nan 8.190 nan 0.000 0.451 372 T N -0.735 113.785 114.554 -0.057 0.000 2.927 372 T HA 0.844 5.194 4.350 -0.000 0.000 0.286 372 T C -0.316 174.354 174.700 -0.051 0.000 1.040 372 T CA -0.470 61.611 62.100 -0.032 0.000 1.010 372 T CB 1.677 70.525 68.868 -0.034 0.000 1.177 372 T HN 1.509 nan 8.240 nan 0.000 0.546 373 I N -0.974 119.575 120.570 -0.034 0.000 2.646 373 I HA 0.655 4.825 4.170 -0.000 0.000 0.299 373 I C -0.852 175.224 176.117 -0.067 0.000 1.036 373 I CA -1.624 59.630 61.300 -0.078 0.000 1.074 373 I CB 1.633 39.560 38.000 -0.122 0.000 1.258 373 I HN 0.544 nan 8.210 nan 0.000 0.430 374 L N 3.511 124.686 121.223 -0.081 0.000 2.421 374 L HA 0.518 4.858 4.340 -0.000 0.000 0.263 374 L C -2.114 174.727 176.870 -0.048 0.000 1.122 374 L CA -1.775 53.029 54.840 -0.058 0.000 0.804 374 L CB 0.581 42.605 42.059 -0.057 0.000 1.150 374 L HN 0.362 nan 8.230 nan 0.000 0.457 375 P HA 0.003 nan 4.420 nan 0.000 0.261 375 P C 0.612 177.900 177.300 -0.020 0.000 1.173 375 P CA 0.904 63.993 63.100 -0.018 0.000 0.760 375 P CB 0.468 32.163 31.700 -0.009 0.000 0.783 376 G N 1.564 110.350 108.800 -0.023 0.000 2.176 376 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.253 376 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.253 376 G C 0.489 175.356 174.900 -0.055 0.000 0.979 376 G CA -0.020 45.064 45.100 -0.026 0.000 0.641 376 G HN 0.859 nan 8.290 nan 0.000 0.530 377 A N -0.072 122.688 122.820 -0.100 0.000 2.425 377 A HA 0.732 5.052 4.320 -0.000 0.000 0.242 377 A C 0.852 178.277 177.584 -0.265 0.000 1.077 377 A CA 1.169 53.087 52.037 -0.198 0.000 0.781 377 A CB 0.423 19.246 19.000 -0.295 0.000 1.020 377 A HN 2.004 nan 8.150 nan 0.000 0.494 378 S N -0.346 115.158 115.700 -0.326 0.000 2.599 378 S HA 0.844 5.314 4.470 -0.000 0.000 0.287 378 S C -0.926 173.324 174.600 -0.583 0.000 1.105 378 S CA -0.652 57.380 58.200 -0.279 0.000 0.899 378 S CB 1.119 64.332 63.200 0.022 0.000 1.100 378 S HN 0.445 nan 8.310 nan 0.000 0.482 379 F N 1.179 121.039 119.950 -0.151 0.000 2.522 379 F HA 0.851 5.378 4.527 -0.000 0.000 0.324 379 F C -0.289 175.324 175.800 -0.312 0.000 1.077 379 F CA -0.935 56.809 58.000 -0.427 0.000 0.944 379 F CB 1.615 40.443 39.000 -0.287 0.000 1.175 379 F HN 0.776 nan 8.300 nan 0.000 0.468 380 F N -1.768 118.169 119.950 -0.021 0.000 2.741 380 F HA 0.679 5.206 4.527 -0.000 0.000 0.313 380 F C -0.453 175.232 175.800 -0.192 0.000 1.153 380 F CA -1.659 56.259 58.000 -0.136 0.000 0.931 380 F CB 0.415 39.321 39.000 -0.156 0.000 1.335 380 F HN 0.405 nan 8.300 nan 0.000 0.460 381 S N -0.216 115.475 115.700 -0.013 0.000 2.634 381 S HA 0.316 4.786 4.470 -0.000 0.000 0.261 381 S C 0.611 175.128 174.600 -0.138 0.000 1.271 381 S CA 0.037 58.133 58.200 -0.173 0.000 0.985 381 S CB 1.187 64.260 63.200 -0.211 0.000 0.968 381 S HN 0.679 nan 8.310 nan 0.000 0.568 382 S N 1.405 116.924 115.700 -0.301 0.000 2.383 382 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 382 S C 1.695 176.222 174.600 -0.121 0.000 1.026 382 S CA 1.229 59.238 58.200 -0.319 0.000 0.981 382 S CB -0.686 61.956 63.200 -0.930 0.000 0.818 382 S HN 0.916 nan 8.310 nan 0.000 0.472 383 D N 1.525 121.822 120.400 -0.172 0.000 2.144 383 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 383 D C 1.763 178.039 176.300 -0.040 0.000 0.984 383 D CA 1.168 55.123 54.000 -0.076 0.000 0.834 383 D CB -0.335 40.397 40.800 -0.114 0.000 0.955 383 D HN 0.368 nan 8.370 nan 0.000 0.465 384 E N 1.019 121.179 120.200 -0.066 0.000 2.112 384 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 384 E C 2.066 178.573 176.600 -0.155 0.000 0.979 384 E CA 1.148 57.476 56.400 -0.120 0.000 0.814 384 E CB -0.368 29.258 29.700 -0.124 0.000 0.762 384 E HN 0.123 nan 8.360 nan 0.000 0.460 385 S N -0.996 114.694 115.700 -0.017 0.000 2.365 385 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 385 S C 1.670 176.102 174.600 -0.281 0.000 1.039 385 S CA 1.426 59.572 58.200 -0.088 0.000 1.033 385 S CB -0.489 62.636 63.200 -0.125 0.000 0.887 385 S HN 0.366 nan 8.310 nan 0.000 0.447 386 F N 1.648 121.572 119.950 -0.043 0.000 2.456 386 F HA 0.281 4.808 4.527 -0.000 0.000 0.298 386 F C 2.461 178.245 175.800 -0.026 0.000 1.104 386 F CA 0.446 58.434 58.000 -0.020 0.000 1.435 386 F CB -0.758 38.237 39.000 -0.007 0.000 1.078 386 F HN 0.272 nan 8.300 nan 0.000 0.546 387 A N -0.023 122.836 122.820 0.066 0.000 1.908 387 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 387 A C 2.297 179.883 177.584 0.003 0.000 1.181 387 A CA 1.877 53.916 52.037 0.002 0.000 0.627 387 A CB -0.791 18.157 19.000 -0.087 0.000 0.818 387 A HN 0.394 nan 8.150 nan 0.000 0.445 388 M N -0.766 118.767 119.600 -0.111 0.000 2.086 388 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 388 M C 1.976 178.306 176.300 0.051 0.000 1.067 388 M CA 1.801 57.023 55.300 -0.130 0.000 1.116 388 M CB -0.293 32.121 32.600 -0.311 0.000 1.348 388 M HN 0.471 nan 8.290 nan 0.000 0.407 389 I N -0.968 119.604 120.570 0.005 0.000 2.162 389 I HA -0.277 3.893 4.170 -0.000 0.000 0.238 389 I C 2.617 178.805 176.117 0.118 0.000 1.076 389 I CA 1.141 62.473 61.300 0.053 0.000 1.353 389 I CB -0.570 37.442 38.000 0.020 0.000 1.063 389 I HN 0.274 nan 8.210 nan 0.000 0.408 390 R N 1.072 121.669 120.500 0.162 0.000 2.152 390 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 390 R C 2.022 178.390 176.300 0.115 0.000 1.117 390 R CA 1.472 57.667 56.100 0.158 0.000 0.981 390 R CB -0.361 30.051 30.300 0.187 0.000 0.870 390 R HN 0.454 nan 8.270 nan 0.000 0.451 391 G N -1.186 107.686 108.800 0.120 0.000 2.920 391 G HA2 0.082 4.042 3.960 -0.000 0.000 0.208 391 G HA3 0.082 4.042 3.960 -0.000 0.000 0.208 391 G C 0.736 175.542 174.900 -0.157 0.000 1.159 391 G CA 0.435 45.572 45.100 0.062 0.000 0.784 391 G HN 0.511 nan 8.290 nan 0.000 0.535 392 G N -0.261 108.491 108.800 -0.080 0.000 2.149 392 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.235 392 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.235 392 G C 0.759 175.529 174.900 -0.216 0.000 1.018 392 G CA 0.435 45.456 45.100 -0.131 0.000 0.728 392 G HN 0.567 nan 8.290 nan 0.000 0.508 393 H N -1.166 117.875 119.070 -0.048 0.000 2.525 393 H HA 0.179 4.735 4.556 -0.000 0.000 0.275 393 H C 1.421 176.707 175.328 -0.071 0.000 0.984 393 H CA 0.929 56.919 56.048 -0.096 0.000 1.264 393 H CB 0.552 30.211 29.762 -0.172 0.000 1.432 393 H HN 0.322 nan 8.280 nan 0.000 0.549 394 V N 3.105 123.073 119.914 0.089 0.000 2.530 394 V HA -0.043 4.077 4.120 -0.000 0.000 0.282 394 V C 0.963 177.124 176.094 0.111 0.000 1.048 394 V CA -0.077 62.295 62.300 0.121 0.000 0.997 394 V CB 1.628 33.509 31.823 0.097 0.000 0.987 394 V HN 0.270 nan 8.190 nan 0.000 0.477 395 D N 2.945 123.440 120.400 0.160 0.000 2.149 395 D HA 0.038 4.678 4.640 -0.000 0.000 0.201 395 D C 0.288 176.633 176.300 0.075 0.000 0.972 395 D CA 1.180 55.250 54.000 0.117 0.000 0.835 395 D CB 0.517 41.407 40.800 0.149 0.000 0.966 395 D HN 0.344 nan 8.370 nan 0.000 0.476 396 L N 0.070 121.343 121.223 0.083 0.000 2.464 396 L HA 0.313 4.652 4.340 -0.000 0.000 0.266 396 L C -1.290 175.619 176.870 0.065 0.000 0.965 396 L CA -0.237 54.627 54.840 0.041 0.000 0.833 396 L CB 2.533 44.582 42.059 -0.016 0.000 1.296 396 L HN -0.319 nan 8.230 nan 0.000 0.405 397 T N 5.407 119.990 114.554 0.049 0.000 2.797 397 T HA 0.548 4.898 4.350 -0.000 0.000 0.279 397 T C -0.570 174.156 174.700 0.042 0.000 0.991 397 T CA -0.227 61.910 62.100 0.061 0.000 0.979 397 T CB 1.295 70.202 68.868 0.065 0.000 0.943 397 T HN 0.643 nan 8.240 nan 0.000 0.444 398 M N 4.738 124.375 119.600 0.061 0.000 2.181 398 M HA 0.587 5.067 4.480 -0.000 0.000 0.323 398 M C -1.825 174.516 176.300 0.068 0.000 1.004 398 M CA -0.667 54.663 55.300 0.051 0.000 0.941 398 M CB 0.612 33.255 32.600 0.070 0.000 1.579 398 M HN 0.460 nan 8.290 nan 0.000 0.427 399 L N 3.362 124.619 121.223 0.056 0.000 2.388 399 L HA 0.737 5.077 4.340 -0.000 0.000 0.264 399 L C 0.319 177.222 176.870 0.055 0.000 0.998 399 L CA -1.050 53.828 54.840 0.064 0.000 0.817 399 L CB 2.259 44.358 42.059 0.068 0.000 1.338 399 L HN 0.809 nan 8.230 nan 0.000 0.414 400 G N 0.755 109.591 108.800 0.060 0.000 2.562 400 G HA2 0.672 4.632 3.960 -0.000 0.000 0.275 400 G HA3 0.672 4.632 3.960 -0.000 0.000 0.275 400 G C -0.798 174.135 174.900 0.054 0.000 1.196 400 G CA 0.080 45.211 45.100 0.051 0.000 0.908 400 G HN 0.783 nan 8.290 nan 0.000 0.524 401 A N 0.197 123.041 122.820 0.040 0.000 2.587 401 A HA 0.648 4.968 4.320 -0.000 0.000 0.293 401 A C 0.455 178.055 177.584 0.026 0.000 1.087 401 A CA -0.639 51.422 52.037 0.039 0.000 0.692 401 A CB 1.351 20.366 19.000 0.025 0.000 1.291 401 A HN 0.572 nan 8.150 nan 0.000 0.407 402 M N -0.420 119.196 119.600 0.026 0.000 2.545 402 M HA 0.160 4.640 4.480 -0.000 0.000 0.264 402 M C 0.180 176.479 176.300 -0.001 0.000 1.155 402 M CA 1.168 56.474 55.300 0.011 0.000 1.162 402 M CB 0.341 32.945 32.600 0.007 0.000 1.330 402 M HN 0.722 nan 8.290 nan 0.000 0.479 403 Q N -0.058 119.742 119.800 -0.000 0.000 2.377 403 Q HA 0.585 4.925 4.340 -0.000 0.000 0.279 403 Q C -1.536 174.454 176.000 -0.018 0.000 1.049 403 Q CA -0.638 55.156 55.803 -0.015 0.000 0.825 403 Q CB 3.647 32.380 28.738 -0.009 0.000 1.401 403 Q HN -0.056 nan 8.270 nan 0.000 0.404 404 V N 1.134 121.018 119.914 -0.050 0.000 2.735 404 V HA 0.564 4.684 4.120 -0.000 0.000 0.310 404 V C -0.222 175.822 176.094 -0.084 0.000 1.061 404 V CA -0.664 61.601 62.300 -0.058 0.000 0.913 404 V CB 1.926 33.701 31.823 -0.080 0.000 1.005 404 V HN 0.915 nan 8.190 nan 0.000 0.428 405 S N 3.024 118.688 115.700 -0.060 0.000 2.713 405 S HA 0.390 4.860 4.470 -0.000 0.000 0.283 405 S C 1.052 175.565 174.600 -0.145 0.000 1.161 405 S CA -0.317 57.834 58.200 -0.082 0.000 0.999 405 S CB 1.391 64.581 63.200 -0.016 0.000 1.039 405 S HN 0.760 nan 8.310 nan 0.000 0.548 406 K N -0.149 120.110 120.400 -0.235 0.000 2.127 406 K HA -0.185 4.134 4.320 -0.000 0.000 0.208 406 K C 0.414 176.739 176.600 -0.459 0.000 1.047 406 K CA 1.818 57.850 56.287 -0.425 0.000 0.927 406 K CB -0.325 31.808 32.500 -0.611 0.000 0.716 406 K HN 0.800 nan 8.250 nan 0.000 0.450 407 Y N -1.149 119.132 120.300 -0.032 0.000 2.507 407 Y HA 0.269 4.820 4.550 0.000 0.000 0.254 407 Y C 1.088 176.982 175.900 -0.010 0.000 1.171 407 Y CA 0.133 58.224 58.100 -0.014 0.000 1.238 407 Y CB 1.328 39.784 38.460 -0.008 0.000 1.148 407 Y HN 0.285 nan 8.280 nan 0.000 0.525 408 G N -0.322 108.519 108.800 0.068 0.000 2.148 408 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.203 408 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.203 408 G C -0.477 174.451 174.900 0.046 0.000 0.993 408 G CA -0.381 44.746 45.100 0.045 0.000 0.661 408 G HN 0.196 nan 8.290 nan 0.000 0.518 409 D N -0.073 120.357 120.400 0.050 0.000 2.372 409 D HA 0.523 5.163 4.640 -0.000 0.000 0.243 409 D C 0.265 176.586 176.300 0.035 0.000 1.121 409 D CA 0.129 54.156 54.000 0.045 0.000 0.898 409 D CB 1.870 42.696 40.800 0.045 0.000 1.202 409 D HN 0.339 nan 8.370 nan 0.000 0.428 410 L N 0.855 122.109 121.223 0.052 0.000 2.385 410 L HA 0.637 4.977 4.340 -0.000 0.000 0.273 410 L C -1.329 175.597 176.870 0.093 0.000 0.990 410 L CA -0.767 54.109 54.840 0.061 0.000 0.821 410 L CB 1.720 43.821 42.059 0.070 0.000 1.279 410 L HN 0.383 nan 8.230 nan 0.000 0.412 411 A N 3.936 126.803 122.820 0.079 0.000 2.285 411 A HA 0.670 4.990 4.320 -0.000 0.000 0.310 411 A C -0.197 177.447 177.584 0.100 0.000 1.266 411 A CA -0.221 51.874 52.037 0.095 0.000 0.832 411 A CB 0.200 19.221 19.000 0.035 0.000 1.163 411 A HN 0.829 nan 8.150 nan 0.000 0.499 412 N N 1.534 120.341 118.700 0.178 0.000 2.162 412 N HA -0.033 4.706 4.740 -0.000 0.000 0.232 412 N C 0.254 175.911 175.510 0.244 0.000 1.361 412 N CA 0.216 53.364 53.050 0.163 0.000 0.786 412 N CB -0.079 38.494 38.487 0.143 0.000 1.290 412 N HN 0.817 nan 8.380 nan 0.000 0.505 413 W N 0.110 121.450 121.300 0.067 0.000 2.835 413 W HA 0.557 5.217 4.660 -0.000 0.000 0.278 413 W C -0.723 175.851 176.519 0.092 0.000 1.075 413 W CA -0.290 57.109 57.345 0.089 0.000 1.439 413 W CB 0.411 29.925 29.460 0.092 0.000 0.927 413 W HN -0.057 nan 8.180 nan 0.000 0.604 414 M N 1.841 121.101 119.600 -0.567 0.000 2.322 414 M HA 0.455 4.935 4.480 -0.000 0.000 0.286 414 M C -2.245 173.843 176.300 -0.353 0.000 1.111 414 M CA -0.545 54.386 55.300 -0.615 0.000 0.941 414 M CB 2.492 34.316 32.600 -1.293 0.000 1.671 414 M HN -0.105 nan 8.290 nan 0.000 0.470 415 I N 6.159 126.607 120.570 -0.203 0.000 2.390 415 I HA 0.402 4.572 4.170 -0.000 0.000 0.283 415 I C -2.248 173.795 176.117 -0.124 0.000 1.016 415 I CA -1.848 59.367 61.300 -0.141 0.000 1.151 415 I CB 1.443 39.392 38.000 -0.085 0.000 1.293 415 I HN 0.426 nan 8.210 nan 0.000 0.458 416 P HA 0.082 nan 4.420 nan 0.000 0.262 416 P C 0.931 178.188 177.300 -0.071 0.000 1.182 416 P CA 0.858 63.914 63.100 -0.074 0.000 0.761 416 P CB 0.752 32.419 31.700 -0.056 0.000 0.795 417 G N 1.409 110.156 108.800 -0.089 0.000 2.850 417 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.207 417 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.207 417 G C 1.023 175.842 174.900 -0.136 0.000 1.302 417 G CA 0.597 45.629 45.100 -0.112 0.000 0.832 417 G HN 0.776 nan 8.290 nan 0.000 0.543 418 K N -0.230 120.109 120.400 -0.101 0.000 2.344 418 K HA 0.795 5.115 4.320 -0.000 0.000 0.229 418 K C 1.212 177.776 176.600 -0.061 0.000 1.112 418 K CA 1.281 57.520 56.287 -0.080 0.000 0.850 418 K CB -0.048 32.418 32.500 -0.055 0.000 1.311 418 K HN 0.707 nan 8.250 nan 0.000 0.448 419 M N 3.124 122.699 119.600 -0.042 0.000 2.055 419 M HA 0.412 4.892 4.480 -0.000 0.000 0.346 419 M C -1.501 174.801 176.300 0.003 0.000 1.074 419 M CA -0.605 54.692 55.300 -0.006 0.000 1.009 419 M CB 0.742 33.346 32.600 0.006 0.000 1.423 419 M HN 0.043 nan 8.290 nan 0.000 0.410 420 V N 6.765 126.717 119.914 0.064 0.000 2.271 420 V HA 0.295 4.415 4.120 -0.000 0.000 0.259 420 V C 0.691 176.945 176.094 0.266 0.000 1.030 420 V CA -0.340 62.058 62.300 0.164 0.000 0.957 420 V CB 0.278 32.237 31.823 0.225 0.000 1.186 420 V HN 0.757 nan 8.190 nan 0.000 0.471 421 K N 1.793 122.299 120.400 0.175 0.000 2.354 421 K HA 0.516 4.836 4.320 -0.000 0.000 0.194 421 K C 0.988 177.608 176.600 0.034 0.000 1.038 421 K CA 0.511 56.802 56.287 0.007 0.000 1.052 421 K CB 1.319 33.771 32.500 -0.080 0.000 0.861 421 K HN 0.774 nan 8.250 nan 0.000 0.535 422 G N 2.105 111.107 108.800 0.336 0.000 2.603 422 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 422 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 422 G C 0.192 175.377 174.900 0.476 0.000 1.286 422 G CA -0.183 45.159 45.100 0.403 0.000 0.871 422 G HN 0.056 nan 8.290 nan 0.000 0.568 423 M N 0.480 120.206 119.600 0.209 0.000 2.441 423 M HA 0.405 4.885 4.480 -0.000 0.000 0.244 423 M C 1.477 177.830 176.300 0.088 0.000 1.122 423 M CA 1.879 57.212 55.300 0.055 0.000 1.041 423 M CB -1.031 31.247 32.600 -0.537 0.000 1.438 423 M HN 2.776 nan 8.290 nan 0.000 0.484 424 G N 1.744 110.630 108.800 0.144 0.000 2.596 424 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.295 424 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.295 424 G C 0.643 175.607 174.900 0.106 0.000 1.240 424 G CA 0.436 45.620 45.100 0.140 0.000 0.985 424 G HN 0.813 nan 8.290 nan 0.000 0.555 425 G N 0.062 108.984 108.800 0.204 0.000 3.141 425 G HA2 0.542 4.502 3.960 -0.000 0.000 0.218 425 G HA3 0.542 4.502 3.960 -0.000 0.000 0.218 425 G C 1.634 176.668 174.900 0.224 0.000 1.170 425 G CA 1.733 47.014 45.100 0.303 0.000 0.769 425 G HN 1.625 nan 8.290 nan 0.000 0.546 426 A N 0.988 123.882 122.820 0.125 0.000 1.902 426 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 426 A C 2.327 179.951 177.584 0.067 0.000 1.181 426 A CA 1.381 53.479 52.037 0.101 0.000 0.623 426 A CB -0.287 18.772 19.000 0.099 0.000 0.818 426 A HN 0.399 nan 8.150 nan 0.000 0.443 427 M N -0.601 118.998 119.600 -0.002 0.000 2.229 427 M HA -0.114 4.365 4.480 -0.000 0.000 0.264 427 M C 1.332 177.660 176.300 0.048 0.000 1.063 427 M CA 1.342 56.630 55.300 -0.020 0.000 1.114 427 M CB -0.519 32.010 32.600 -0.118 0.000 1.387 427 M HN 0.387 nan 8.290 nan 0.000 0.420 428 D N 0.720 121.175 120.400 0.091 0.000 2.144 428 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 428 D C 2.050 178.466 176.300 0.193 0.000 0.978 428 D CA 1.218 55.322 54.000 0.174 0.000 0.833 428 D CB -0.051 40.930 40.800 0.302 0.000 0.961 428 D HN 0.366 nan 8.370 nan 0.000 0.470 429 L N 0.973 122.310 121.223 0.189 0.000 2.275 429 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 429 L C 2.156 179.088 176.870 0.104 0.000 1.119 429 L CA 0.584 55.510 54.840 0.144 0.000 0.790 429 L CB -0.031 42.108 42.059 0.133 0.000 0.919 429 L HN 0.003 nan 8.230 nan 0.000 0.443 430 V N -4.726 115.245 119.914 0.094 0.000 3.342 430 V HA 0.150 4.270 4.120 -0.000 0.000 0.322 430 V C 1.784 177.922 176.094 0.073 0.000 1.370 430 V CA 0.554 62.899 62.300 0.075 0.000 1.170 430 V CB 0.058 31.922 31.823 0.069 0.000 1.101 430 V HN 0.361 nan 8.190 nan 0.000 0.442 431 S N -0.803 114.948 115.700 0.084 0.000 2.478 431 S HA 0.167 4.637 4.470 -0.000 0.000 0.222 431 S C 1.117 175.757 174.600 0.067 0.000 1.008 431 S CA 0.636 58.885 58.200 0.081 0.000 0.928 431 S CB -0.031 63.231 63.200 0.104 0.000 0.781 431 S HN 0.566 nan 8.310 nan 0.000 0.518 432 S N 0.525 116.264 115.700 0.066 0.000 2.462 432 S HA 0.703 5.173 4.470 -0.000 0.000 0.294 432 S C 0.977 175.598 174.600 0.036 0.000 1.144 432 S CA -0.232 57.999 58.200 0.050 0.000 1.088 432 S CB 1.183 64.409 63.200 0.043 0.000 1.009 432 S HN 0.508 nan 8.310 nan 0.000 0.484 433 A N 4.833 127.670 122.820 0.028 0.000 2.172 433 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 433 A C 1.699 179.292 177.584 0.015 0.000 1.154 433 A CA 1.032 53.082 52.037 0.022 0.000 0.701 433 A CB -0.233 18.779 19.000 0.020 0.000 0.789 433 A HN 0.865 nan 8.150 nan 0.000 0.465 434 K N -0.292 120.112 120.400 0.006 0.000 2.444 434 K HA 0.057 4.377 4.320 -0.000 0.000 0.193 434 K C -0.444 176.158 176.600 0.003 0.000 1.024 434 K CA 0.381 56.664 56.287 -0.007 0.000 1.077 434 K CB 0.194 32.669 32.500 -0.042 0.000 0.833 434 K HN 0.270 nan 8.250 nan 0.000 0.517 435 T N 1.610 116.175 114.554 0.017 0.000 2.792 435 T HA 0.149 4.499 4.350 -0.000 0.000 0.280 435 T C -0.617 174.099 174.700 0.028 0.000 0.990 435 T CA -0.659 61.458 62.100 0.028 0.000 0.960 435 T CB 1.902 70.794 68.868 0.040 0.000 0.939 435 T HN 0.012 nan 8.240 nan 0.000 0.439 436 K N 3.089 123.503 120.400 0.022 0.000 2.416 436 K HA 0.327 4.647 4.320 -0.000 0.000 0.283 436 K C -0.755 175.854 176.600 0.014 0.000 1.037 436 K CA -0.272 56.022 56.287 0.012 0.000 0.995 436 K CB 0.299 32.797 32.500 -0.004 0.000 0.938 436 K HN 0.315 nan 8.250 nan 0.000 0.475 437 V N 5.618 125.543 119.914 0.018 0.000 2.347 437 V HA 0.260 4.380 4.120 -0.000 0.000 0.280 437 V C -0.483 175.616 176.094 0.009 0.000 1.021 437 V CA -0.889 61.424 62.300 0.021 0.000 0.847 437 V CB 1.443 33.287 31.823 0.035 0.000 0.990 437 V HN 0.504 nan 8.190 nan 0.000 0.444 438 V N 5.733 125.646 119.914 -0.002 0.000 2.448 438 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 438 V C -0.102 175.995 176.094 0.005 0.000 1.025 438 V CA -0.662 61.631 62.300 -0.012 0.000 0.859 438 V CB 2.030 33.821 31.823 -0.053 0.000 0.988 438 V HN 0.579 nan 8.190 nan 0.000 0.431 439 V N 4.203 124.124 119.914 0.011 0.000 2.427 439 V HA 0.535 4.655 4.120 -0.000 0.000 0.286 439 V C 0.360 176.462 176.094 0.013 0.000 1.034 439 V CA -0.297 62.013 62.300 0.016 0.000 0.893 439 V CB 2.155 33.986 31.823 0.013 0.000 0.982 439 V HN 1.041 nan 8.190 nan 0.000 0.452 440 T N 4.033 118.597 114.554 0.017 0.000 2.809 440 T HA 0.804 5.154 4.350 -0.000 0.000 0.296 440 T C -0.686 174.022 174.700 0.013 0.000 1.015 440 T CA -0.666 61.443 62.100 0.015 0.000 0.954 440 T CB 0.973 69.854 68.868 0.020 0.000 0.950 440 T HN 0.755 nan 8.240 nan 0.000 0.450 441 M N 0.467 120.070 119.600 0.005 0.000 2.520 441 M HA 0.610 5.090 4.480 -0.000 0.000 0.280 441 M C -1.055 175.245 176.300 0.000 0.000 1.232 441 M CA -0.890 54.410 55.300 0.001 0.000 0.892 441 M CB 1.836 34.431 32.600 -0.007 0.000 1.728 441 M HN 0.317 nan 8.290 nan 0.000 0.475 442 E N 1.395 121.597 120.200 0.003 0.000 2.481 442 E HA -0.090 4.260 4.350 -0.000 0.000 0.263 442 E C 0.127 176.750 176.600 0.039 0.000 0.992 442 E CA 0.657 57.068 56.400 0.017 0.000 0.938 442 E CB 0.635 30.342 29.700 0.012 0.000 0.933 442 E HN 0.791 nan 8.360 nan 0.000 0.453 443 H N 1.658 120.728 119.070 0.001 0.000 2.290 443 H HA -0.076 4.480 4.556 -0.000 0.000 0.298 443 H C 0.120 175.473 175.328 0.042 0.000 1.087 443 H CA 1.827 57.894 56.048 0.030 0.000 1.291 443 H CB 0.460 30.243 29.762 0.035 0.000 1.369 443 H HN 0.242 nan 8.280 nan 0.000 0.492 444 S N -1.288 114.519 115.700 0.177 0.000 2.677 444 S HA 0.727 5.197 4.470 -0.000 0.000 0.304 444 S C -0.519 174.111 174.600 0.051 0.000 1.108 444 S CA -0.581 57.690 58.200 0.117 0.000 0.944 444 S CB 2.104 65.388 63.200 0.139 0.000 1.127 444 S HN 0.558 nan 8.310 nan 0.000 0.511 445 A N 0.683 123.518 122.820 0.025 0.000 2.378 445 A HA 0.803 5.123 4.320 -0.000 0.000 0.293 445 A C 0.310 177.892 177.584 -0.003 0.000 1.250 445 A CA -0.508 51.533 52.037 0.007 0.000 0.915 445 A CB -0.469 18.530 19.000 -0.001 0.000 1.402 445 A HN 1.040 nan 8.150 nan 0.000 0.502 446 K N -0.968 119.427 120.400 -0.009 0.000 2.485 446 K HA 0.452 4.772 4.320 -0.000 0.000 0.277 446 K C 1.308 177.894 176.600 -0.023 0.000 0.990 446 K CA 0.677 56.956 56.287 -0.014 0.000 0.994 446 K CB -0.858 31.634 32.500 -0.013 0.000 0.906 446 K HN 2.629 nan 8.250 nan 0.000 0.488 447 G N 0.737 109.522 108.800 -0.024 0.000 2.175 447 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 447 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 447 G C 0.654 175.527 174.900 -0.046 0.000 0.982 447 G CA 0.946 46.026 45.100 -0.034 0.000 0.641 447 G HN 2.240 nan 8.290 nan 0.000 0.527 448 N N -1.350 117.328 118.700 -0.037 0.000 2.776 448 N HA -0.044 4.696 4.740 -0.000 0.000 0.249 448 N C 0.523 175.959 175.510 -0.123 0.000 1.111 448 N CA 2.033 55.057 53.050 -0.044 0.000 0.711 448 N CB -1.342 37.123 38.487 -0.036 0.000 1.065 448 N HN 2.024 nan 8.380 nan 0.000 0.556 449 A N 0.716 123.473 122.820 -0.105 0.000 2.488 449 A HA 0.266 4.585 4.320 -0.000 0.000 0.249 449 A C 0.165 177.700 177.584 -0.083 0.000 1.083 449 A CA -0.039 51.912 52.037 -0.143 0.000 0.768 449 A CB 0.111 19.070 19.000 -0.069 0.000 1.017 449 A HN 0.434 nan 8.150 nan 0.000 0.496 450 H N 1.873 120.954 119.070 0.019 0.000 2.897 450 H HA 0.092 4.648 4.556 -0.000 0.000 0.347 450 H C 0.618 175.937 175.328 -0.015 0.000 1.068 450 H CA 0.530 56.587 56.048 0.016 0.000 1.426 450 H CB 0.893 30.662 29.762 0.011 0.000 1.410 450 H HN 0.737 nan 8.280 nan 0.000 0.597 451 K N 2.103 122.558 120.400 0.093 0.000 2.391 451 K HA 0.262 4.582 4.320 -0.000 0.000 0.197 451 K C 0.255 176.817 176.600 -0.063 0.000 1.087 451 K CA 0.296 56.584 56.287 0.001 0.000 1.012 451 K CB 0.900 33.383 32.500 -0.027 0.000 0.925 451 K HN 0.371 nan 8.250 nan 0.000 0.547 452 I N 3.230 123.731 120.570 -0.116 0.000 2.339 452 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 452 I C -0.178 175.831 176.117 -0.180 0.000 0.994 452 I CA -0.548 60.627 61.300 -0.209 0.000 1.191 452 I CB 1.124 38.896 38.000 -0.380 0.000 1.343 452 I HN 0.015 nan 8.210 nan 0.000 0.458 453 M N 2.558 122.065 119.600 -0.156 0.000 2.755 453 M HA 0.559 5.039 4.480 -0.000 0.000 0.273 453 M C 0.471 176.701 176.300 -0.117 0.000 1.278 453 M CA -0.761 54.468 55.300 -0.119 0.000 0.819 453 M CB 1.389 33.962 32.600 -0.044 0.000 1.694 453 M HN 0.360 nan 8.290 nan 0.000 0.460 454 E N 0.148 120.298 120.200 -0.084 0.000 2.051 454 E HA 0.197 4.547 4.350 -0.000 0.000 0.192 454 E C 0.829 177.420 176.600 -0.014 0.000 0.991 454 E CA 2.353 58.715 56.400 -0.063 0.000 0.799 454 E CB -0.354 29.330 29.700 -0.025 0.000 0.748 454 E HN 0.853 nan 8.360 nan 0.000 0.449 455 K N -0.759 119.641 120.400 -0.001 0.000 2.501 455 K HA 0.603 4.922 4.320 -0.000 0.000 0.252 455 K C -0.444 176.160 176.600 0.006 0.000 0.934 455 K CA -0.150 56.148 56.287 0.019 0.000 0.797 455 K CB 0.485 33.002 32.500 0.029 0.000 1.270 455 K HN 0.488 nan 8.250 nan 0.000 0.431 456 C N 2.102 121.406 119.300 0.008 0.000 2.689 456 C HA 0.377 4.837 4.460 -0.000 0.000 0.409 456 C C 2.145 177.137 174.990 0.003 0.000 1.293 456 C CA 0.587 59.607 59.018 0.004 0.000 2.136 456 C CB 0.575 28.320 27.740 0.009 0.000 2.719 456 C HN 0.956 nan 8.230 nan 0.000 0.644 457 T N -1.048 113.504 114.554 -0.003 0.000 3.023 457 T HA 0.285 4.635 4.350 -0.000 0.000 0.253 457 T C 0.153 174.839 174.700 -0.023 0.000 1.038 457 T CA 0.145 62.240 62.100 -0.008 0.000 0.962 457 T CB -0.122 68.742 68.868 -0.006 0.000 1.018 457 T HN 0.524 nan 8.240 nan 0.000 0.521 458 L N 1.378 122.584 121.223 -0.029 0.000 2.334 458 L HA 0.561 4.901 4.340 -0.000 0.000 0.270 458 L C -2.497 174.340 176.870 -0.056 0.000 1.018 458 L CA -2.991 51.811 54.840 -0.063 0.000 0.811 458 L CB 1.032 43.043 42.059 -0.079 0.000 1.271 458 L HN -0.167 nan 8.230 nan 0.000 0.443 459 P HA 0.009 nan 4.420 nan 0.000 0.264 459 P C -0.769 176.592 177.300 0.101 0.000 1.183 459 P CA 0.187 63.267 63.100 -0.034 0.000 0.763 459 P CB 0.286 31.865 31.700 -0.201 0.000 0.807 460 L N 2.715 124.057 121.223 0.198 0.000 2.380 460 L HA 0.086 4.426 4.340 -0.000 0.000 0.273 460 L C 1.583 178.684 176.870 0.385 0.000 1.138 460 L CA 0.136 55.106 54.840 0.216 0.000 0.832 460 L CB 0.269 42.389 42.059 0.103 0.000 1.124 460 L HN 0.444 nan 8.230 nan 0.000 0.454 461 T N 0.945 115.691 114.554 0.321 0.000 2.937 461 T HA 0.145 4.495 4.350 -0.000 0.000 0.260 461 T C 0.628 175.369 174.700 0.068 0.000 1.051 461 T CA 0.784 63.000 62.100 0.192 0.000 1.141 461 T CB 0.317 69.312 68.868 0.212 0.000 0.879 461 T HN 0.839 nan 8.240 nan 0.000 0.459 462 G N 0.191 109.037 108.800 0.078 0.000 2.623 462 G HA2 0.557 4.517 3.960 -0.000 0.000 0.290 462 G HA3 0.557 4.517 3.960 -0.000 0.000 0.290 462 G C -1.974 172.948 174.900 0.038 0.000 1.437 462 G CA -0.797 44.329 45.100 0.043 0.000 0.798 462 G HN 0.100 nan 8.290 nan 0.000 0.488 463 K N 0.356 120.770 120.400 0.023 0.000 2.244 463 K HA 0.436 4.755 4.320 -0.000 0.000 0.260 463 K C -0.004 176.630 176.600 0.056 0.000 0.951 463 K CA -0.350 55.950 56.287 0.020 0.000 0.826 463 K CB 0.775 33.250 32.500 -0.041 0.000 1.108 463 K HN 0.607 nan 8.250 nan 0.000 0.433 464 Q N 1.941 121.779 119.800 0.062 0.000 2.431 464 Q HA -0.256 4.084 4.340 -0.000 0.000 0.344 464 Q C 0.354 176.393 176.000 0.065 0.000 1.384 464 Q CA 0.630 56.477 55.803 0.075 0.000 0.984 464 Q CB -2.077 26.704 28.738 0.071 0.000 1.204 464 Q HN 0.843 nan 8.270 nan 0.000 0.392 465 C N -5.016 114.319 119.300 0.059 0.000 3.545 465 C HA 0.441 4.901 4.460 -0.000 0.000 0.368 465 C C 0.898 175.915 174.990 0.046 0.000 1.400 465 C CA -0.371 58.679 59.018 0.053 0.000 1.848 465 C CB -0.053 27.721 27.740 0.057 0.000 2.576 465 C HN 0.281 nan 8.230 nan 0.000 0.683 466 V N 3.633 123.572 119.914 0.041 0.000 2.498 466 V HA 0.241 4.361 4.120 -0.000 0.000 0.279 466 V C 0.453 176.565 176.094 0.031 0.000 1.048 466 V CA 0.556 62.875 62.300 0.031 0.000 0.967 466 V CB 1.043 32.878 31.823 0.020 0.000 0.988 466 V HN 0.454 nan 8.190 nan 0.000 0.473 467 N N 2.625 121.341 118.700 0.027 0.000 2.432 467 N HA 0.163 4.903 4.740 -0.000 0.000 0.174 467 N C 0.588 176.116 175.510 0.030 0.000 1.037 467 N CA 0.148 53.215 53.050 0.028 0.000 0.892 467 N CB 0.403 38.902 38.487 0.020 0.000 1.049 467 N HN 0.633 nan 8.380 nan 0.000 0.442 468 R N 0.432 120.947 120.500 0.025 0.000 2.668 468 R HA 0.473 4.812 4.340 -0.000 0.000 0.272 468 R C -2.012 174.311 176.300 0.039 0.000 1.019 468 R CA -0.503 55.618 56.100 0.035 0.000 0.894 468 R CB 1.212 31.520 30.300 0.013 0.000 1.228 468 R HN -0.083 nan 8.270 nan 0.000 0.460 469 I N 5.215 125.833 120.570 0.080 0.000 2.389 469 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 469 I C -0.413 175.758 176.117 0.090 0.000 0.999 469 I CA -0.728 60.622 61.300 0.084 0.000 1.129 469 I CB 1.917 39.982 38.000 0.108 0.000 1.288 469 I HN 0.429 nan 8.210 nan 0.000 0.444 470 I N 5.768 126.365 120.570 0.044 0.000 2.339 470 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 470 I C 0.525 176.664 176.117 0.037 0.000 0.994 470 I CA -0.206 61.113 61.300 0.032 0.000 1.191 470 I CB 1.802 39.806 38.000 0.006 0.000 1.343 470 I HN 0.655 nan 8.210 nan 0.000 0.458 471 T N 1.076 115.667 114.554 0.061 0.000 2.762 471 T HA 0.277 4.627 4.350 -0.000 0.000 0.272 471 T C 0.862 175.578 174.700 0.028 0.000 0.982 471 T CA -0.552 61.590 62.100 0.070 0.000 1.013 471 T CB 1.549 70.529 68.868 0.186 0.000 1.309 471 T HN 0.633 nan 8.240 nan 0.000 0.572 472 E N 0.361 120.554 120.200 -0.012 0.000 2.427 472 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 472 E C 1.100 177.596 176.600 -0.174 0.000 1.028 472 E CA 0.705 57.010 56.400 -0.158 0.000 0.864 472 E CB -0.087 29.473 29.700 -0.234 0.000 0.813 472 E HN 0.798 nan 8.360 nan 0.000 0.514 473 K N 0.044 120.428 120.400 -0.028 0.000 2.391 473 K HA 0.435 4.755 4.320 -0.000 0.000 0.197 473 K C 0.445 177.056 176.600 0.019 0.000 1.087 473 K CA 0.527 56.804 56.287 -0.018 0.000 1.012 473 K CB 1.394 33.790 32.500 -0.173 0.000 0.925 473 K HN 0.125 nan 8.250 nan 0.000 0.547 474 A N 0.893 123.725 122.820 0.020 0.000 2.589 474 A HA 0.583 4.903 4.320 -0.000 0.000 0.296 474 A C -1.476 175.994 177.584 -0.191 0.000 1.062 474 A CA -0.631 51.301 52.037 -0.175 0.000 0.686 474 A CB 1.742 20.569 19.000 -0.289 0.000 1.282 474 A HN -0.089 nan 8.150 nan 0.000 0.404 475 V N 1.475 121.191 119.914 -0.330 0.000 2.531 475 V HA 0.619 4.739 4.120 -0.000 0.000 0.301 475 V C -1.246 174.625 176.094 -0.372 0.000 1.034 475 V CA -0.279 61.892 62.300 -0.214 0.000 0.865 475 V CB 1.169 32.935 31.823 -0.095 0.000 0.995 475 V HN 0.699 nan 8.190 nan 0.000 0.424 476 F N 1.758 121.668 119.950 -0.067 0.000 2.495 476 F HA 0.526 5.053 4.527 -0.000 0.000 0.327 476 F C 0.429 176.201 175.800 -0.046 0.000 1.103 476 F CA -0.745 57.208 58.000 -0.078 0.000 0.949 476 F CB 1.486 40.419 39.000 -0.112 0.000 1.142 476 F HN 0.401 nan 8.300 nan 0.000 0.457 477 D N 2.103 122.591 120.400 0.147 0.000 2.302 477 D HA 0.401 5.041 4.640 -0.000 0.000 0.248 477 D C -0.537 175.827 176.300 0.106 0.000 1.094 477 D CA 0.101 54.161 54.000 0.099 0.000 0.897 477 D CB 1.853 42.693 40.800 0.066 0.000 1.200 477 D HN 0.090 nan 8.370 nan 0.000 0.429 478 V N 1.780 121.734 119.914 0.068 0.000 2.495 478 V HA 0.354 4.474 4.120 -0.000 0.000 0.298 478 V C -0.287 175.841 176.094 0.058 0.000 1.031 478 V CA -0.802 61.524 62.300 0.043 0.000 0.871 478 V CB 2.002 33.836 31.823 0.017 0.000 0.988 478 V HN 0.422 nan 8.190 nan 0.000 0.432 479 D N 2.319 122.764 120.400 0.075 0.000 2.649 479 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 479 D C 1.015 177.419 176.300 0.172 0.000 1.112 479 D CA -0.699 53.362 54.000 0.101 0.000 0.850 479 D CB 1.976 42.834 40.800 0.097 0.000 1.399 479 D HN 0.603 nan 8.370 nan 0.000 0.503 480 K N 1.786 122.273 120.400 0.145 0.000 2.281 480 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 480 K C 1.349 178.028 176.600 0.131 0.000 1.046 480 K CA 1.390 57.771 56.287 0.157 0.000 0.938 480 K CB -0.057 32.486 32.500 0.072 0.000 0.737 480 K HN 0.241 nan 8.250 nan 0.000 0.458 481 K N 1.842 122.319 120.400 0.129 0.000 2.306 481 K HA 0.148 4.468 4.320 -0.000 0.000 0.200 481 K C 1.751 178.470 176.600 0.198 0.000 1.083 481 K CA 0.559 56.889 56.287 0.071 0.000 0.959 481 K CB -0.016 32.507 32.500 0.039 0.000 0.994 481 K HN 0.250 nan 8.250 nan 0.000 0.492 482 K N -1.091 119.435 120.400 0.210 0.000 2.323 482 K HA 0.315 4.635 4.320 -0.000 0.000 0.197 482 K C 1.056 177.759 176.600 0.172 0.000 1.043 482 K CA 0.460 56.856 56.287 0.183 0.000 0.997 482 K CB 0.691 33.257 32.500 0.109 0.000 0.807 482 K HN 0.569 nan 8.250 nan 0.000 0.497 483 G N 1.353 110.239 108.800 0.142 0.000 2.481 483 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.230 483 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.230 483 G C -0.849 174.023 174.900 -0.047 0.000 1.210 483 G CA -0.760 44.254 45.100 -0.144 0.000 0.936 483 G HN 0.048 nan 8.290 nan 0.000 0.583 484 L N 0.793 121.985 121.223 -0.052 0.000 2.343 484 L HA 0.676 5.016 4.340 -0.000 0.000 0.275 484 L C 0.121 177.110 176.870 0.198 0.000 1.056 484 L CA -0.564 54.303 54.840 0.044 0.000 0.804 484 L CB 1.972 43.978 42.059 -0.088 0.000 1.203 484 L HN 0.633 nan 8.230 nan 0.000 0.440 485 T N 3.196 117.901 114.554 0.251 0.000 2.890 485 T HA 0.303 4.653 4.350 -0.000 0.000 0.295 485 T C -0.532 174.293 174.700 0.208 0.000 0.993 485 T CA -0.449 61.793 62.100 0.237 0.000 0.979 485 T CB 1.486 70.434 68.868 0.135 0.000 0.967 485 T HN 0.242 nan 8.240 nan 0.000 0.441 486 L N 5.799 127.106 121.223 0.141 0.000 2.433 486 L HA 0.374 4.714 4.340 -0.000 0.000 0.275 486 L C 0.963 177.755 176.870 -0.130 0.000 1.128 486 L CA 0.328 55.017 54.840 -0.252 0.000 0.875 486 L CB -0.125 41.761 42.059 -0.288 0.000 1.171 486 L HN 0.785 nan 8.230 nan 0.000 0.463 487 I N 0.100 120.568 120.570 -0.171 0.000 3.939 487 I HA 0.415 4.585 4.170 -0.000 0.000 0.313 487 I C 0.101 176.159 176.117 -0.099 0.000 1.274 487 I CA -0.078 61.170 61.300 -0.086 0.000 1.301 487 I CB 0.198 38.171 38.000 -0.046 0.000 1.105 487 I HN 0.509 nan 8.210 nan 0.000 0.427 488 E N 1.355 121.463 120.200 -0.153 0.000 2.408 488 E HA 0.669 5.019 4.350 -0.000 0.000 0.275 488 E C -1.869 174.644 176.600 -0.145 0.000 0.935 488 E CA -0.900 55.430 56.400 -0.116 0.000 0.775 488 E CB 3.272 32.925 29.700 -0.077 0.000 1.277 488 E HN 0.037 nan 8.360 nan 0.000 0.455 489 L N 1.550 122.724 121.223 -0.082 0.000 2.543 489 L HA 0.322 4.661 4.340 -0.000 0.000 0.265 489 L C -1.484 175.400 176.870 0.023 0.000 0.945 489 L CA -0.415 54.396 54.840 -0.049 0.000 0.869 489 L CB 1.416 43.440 42.059 -0.059 0.000 1.294 489 L HN 0.711 nan 8.230 nan 0.000 0.405 490 W N 4.965 126.211 121.300 -0.090 0.000 2.231 490 W HA 0.155 4.815 4.660 -0.000 0.000 0.341 490 W C 0.129 176.617 176.519 -0.051 0.000 1.298 490 W CA 0.143 57.450 57.345 -0.064 0.000 1.266 490 W CB 0.778 30.202 29.460 -0.059 0.000 1.172 490 W HN 0.889 nan 8.180 nan 0.000 0.568 491 E N 3.951 123.624 120.200 -0.878 0.000 2.265 491 E HA 0.377 4.726 4.350 -0.000 0.000 0.272 491 E C 0.749 177.165 176.600 -0.307 0.000 1.067 491 E CA 0.470 56.556 56.400 -0.523 0.000 0.900 491 E CB 0.412 29.780 29.700 -0.553 0.000 1.017 491 E HN 0.726 nan 8.360 nan 0.000 0.431 492 G N 3.479 112.208 108.800 -0.118 0.000 2.179 492 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 492 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 492 G C 0.005 174.931 174.900 0.044 0.000 0.990 492 G CA -0.032 45.054 45.100 -0.023 0.000 0.646 492 G HN 0.476 nan 8.290 nan 0.000 0.517 493 L N 0.820 122.080 121.223 0.062 0.000 2.416 493 L HA 0.699 5.039 4.340 -0.000 0.000 0.262 493 L C 0.674 177.565 176.870 0.035 0.000 1.093 493 L CA -0.601 54.282 54.840 0.071 0.000 0.801 493 L CB 1.580 43.701 42.059 0.104 0.000 1.191 493 L HN 0.120 nan 8.230 nan 0.000 0.459 494 T N -0.200 114.377 114.554 0.039 0.000 2.918 494 T HA 0.192 4.542 4.350 -0.000 0.000 0.286 494 T C 1.167 175.907 174.700 0.066 0.000 1.026 494 T CA -0.648 61.477 62.100 0.041 0.000 1.031 494 T CB 2.282 71.174 68.868 0.039 0.000 1.046 494 T HN 0.279 nan 8.240 nan 0.000 0.479 495 V N 1.498 121.464 119.914 0.087 0.000 2.324 495 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 495 V C 2.385 178.592 176.094 0.187 0.000 1.060 495 V CA 2.005 64.406 62.300 0.168 0.000 1.042 495 V CB -0.380 31.535 31.823 0.154 0.000 0.650 495 V HN 0.885 nan 8.190 nan 0.000 0.450 496 D N -0.204 120.258 120.400 0.104 0.000 2.144 496 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 496 D C 1.849 178.207 176.300 0.098 0.000 0.984 496 D CA 1.182 55.234 54.000 0.086 0.000 0.834 496 D CB -0.181 40.647 40.800 0.048 0.000 0.955 496 D HN 0.442 nan 8.370 nan 0.000 0.465 497 D N -0.269 120.178 120.400 0.078 0.000 2.123 497 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 497 D C 2.266 178.598 176.300 0.054 0.000 0.992 497 D CA 0.622 54.655 54.000 0.055 0.000 0.833 497 D CB -0.275 40.544 40.800 0.032 0.000 0.954 497 D HN 0.154 nan 8.370 nan 0.000 0.455 498 V N 0.672 120.633 119.914 0.079 0.000 2.358 498 V HA -0.225 3.894 4.120 -0.000 0.000 0.246 498 V C 2.481 178.731 176.094 0.260 0.000 1.047 498 V CA 1.393 63.728 62.300 0.059 0.000 1.035 498 V CB -0.477 31.362 31.823 0.026 0.000 0.658 498 V HN 0.098 nan 8.190 nan 0.000 0.452 499 Q N 1.405 121.450 119.800 0.408 0.000 2.181 499 Q HA -0.192 4.147 4.340 -0.000 0.000 0.205 499 Q C 2.097 178.232 176.000 0.226 0.000 0.980 499 Q CA 2.513 58.553 55.803 0.396 0.000 0.862 499 Q CB -0.538 28.309 28.738 0.182 0.000 0.905 499 Q HN 0.639 nan 8.270 nan 0.000 0.429 500 K N -0.752 119.752 120.400 0.174 0.000 2.365 500 K HA 0.083 4.403 4.320 -0.000 0.000 0.199 500 K C 1.737 178.485 176.600 0.247 0.000 1.045 500 K CA 1.354 57.740 56.287 0.164 0.000 0.962 500 K CB -0.229 32.333 32.500 0.103 0.000 0.759 500 K HN 0.277 nan 8.250 nan 0.000 0.469 501 S N 0.217 116.063 115.700 0.244 0.000 2.593 501 S HA 0.165 4.635 4.470 -0.000 0.000 0.236 501 S C -0.228 174.655 174.600 0.471 0.000 0.991 501 S CA -0.211 58.192 58.200 0.339 0.000 0.963 501 S CB 0.688 63.964 63.200 0.126 0.000 0.865 501 S HN 0.517 nan 8.310 nan 0.000 0.488 502 T N 0.867 115.541 114.554 0.199 0.000 2.840 502 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 502 T C 0.970 175.351 174.700 -0.533 0.000 0.991 502 T CA -0.631 61.449 62.100 -0.034 0.000 0.964 502 T CB 1.628 70.638 68.868 0.236 0.000 0.954 502 T HN 0.175 nan 8.240 nan 0.000 0.438 503 G N 1.272 109.585 108.800 -0.811 0.000 3.061 503 G HA2 0.274 4.234 3.960 -0.000 0.000 0.208 503 G HA3 0.274 4.234 3.960 -0.000 0.000 0.208 503 G C 0.641 175.389 174.900 -0.253 0.000 1.175 503 G CA 0.056 44.746 45.100 -0.684 0.000 0.812 503 G HN 0.952 nan 8.290 nan 0.000 0.523 504 C N -0.850 118.345 119.300 -0.174 0.000 3.291 504 C HA 0.697 5.156 4.460 -0.000 0.000 0.316 504 C C -0.315 174.661 174.990 -0.023 0.000 1.391 504 C CA -1.325 57.633 59.018 -0.099 0.000 1.394 504 C CB 1.670 29.330 27.740 -0.134 0.000 1.744 504 C HN 0.332 nan 8.230 nan 0.000 0.461 505 D N 0.406 120.766 120.400 -0.067 0.000 2.371 505 D HA 0.594 5.234 4.640 -0.000 0.000 0.242 505 D C -0.437 175.861 176.300 -0.003 0.000 1.218 505 D CA 0.147 54.063 54.000 -0.141 0.000 0.945 505 D CB 0.673 41.388 40.800 -0.141 0.000 1.137 505 D HN 0.895 nan 8.370 nan 0.000 0.464 506 F N -3.533 116.416 119.950 -0.001 0.000 2.678 506 F HA 0.660 5.186 4.527 -0.000 0.000 0.308 506 F C -1.097 174.742 175.800 0.065 0.000 1.118 506 F CA -1.539 56.486 58.000 0.042 0.000 0.959 506 F CB 0.925 40.023 39.000 0.163 0.000 1.305 506 F HN 0.503 nan 8.300 nan 0.000 0.443 507 A N 1.432 124.421 122.820 0.283 0.000 2.302 507 A HA 0.741 5.061 4.320 -0.000 0.000 0.285 507 A C -0.892 176.868 177.584 0.293 0.000 1.105 507 A CA -0.717 51.431 52.037 0.186 0.000 0.816 507 A CB 0.959 20.034 19.000 0.125 0.000 1.067 507 A HN 0.792 nan 8.150 nan 0.000 0.489 508 V N 1.849 121.880 119.914 0.195 0.000 2.435 508 V HA 0.390 4.510 4.120 -0.000 0.000 0.290 508 V C 0.847 176.998 176.094 0.095 0.000 1.030 508 V CA -0.380 62.023 62.300 0.172 0.000 0.881 508 V CB 1.519 33.429 31.823 0.144 0.000 0.983 508 V HN 1.013 nan 8.190 nan 0.000 0.445 509 S N 5.654 121.394 115.700 0.068 0.000 2.562 509 S HA 0.221 4.691 4.470 -0.000 0.000 0.281 509 S C -1.318 173.299 174.600 0.028 0.000 1.333 509 S CA -0.792 57.433 58.200 0.041 0.000 1.052 509 S CB 1.027 64.242 63.200 0.024 0.000 0.884 509 S HN 0.642 nan 8.310 nan 0.000 0.506 510 P HA 0.092 nan 4.420 nan 0.000 0.225 510 P C 0.756 178.060 177.300 0.007 0.000 1.148 510 P CA 1.035 64.143 63.100 0.014 0.000 0.779 510 P CB -0.074 31.634 31.700 0.013 0.000 0.780 511 K N -0.545 119.858 120.400 0.005 0.000 2.446 511 K HA 0.156 4.476 4.320 -0.000 0.000 0.203 511 K C 0.499 177.092 176.600 -0.012 0.000 1.027 511 K CA -0.366 55.919 56.287 -0.003 0.000 1.166 511 K CB -1.353 31.146 32.500 -0.003 0.000 0.869 511 K HN 0.032 nan 8.250 nan 0.000 0.504 512 L N 1.169 122.386 121.223 -0.011 0.000 2.593 512 L HA 0.201 4.541 4.340 -0.000 0.000 0.287 512 L C 0.222 177.073 176.870 -0.032 0.000 1.243 512 L CA 0.916 55.742 54.840 -0.023 0.000 0.890 512 L CB 0.419 42.471 42.059 -0.013 0.000 1.134 512 L HN 0.595 nan 8.230 nan 0.000 0.502 513 M N 6.115 125.688 119.600 -0.046 0.000 2.575 513 M HA 0.548 5.028 4.480 -0.000 0.000 0.284 513 M C -2.582 173.676 176.300 -0.070 0.000 1.253 513 M CA -1.887 53.382 55.300 -0.052 0.000 0.861 513 M CB 2.459 35.031 32.600 -0.046 0.000 1.733 513 M HN 0.326 nan 8.290 nan 0.000 0.462 514 P HA 0.034 nan 4.420 nan 0.000 0.267 514 P C -0.958 176.280 177.300 -0.104 0.000 1.201 514 P CA 0.160 63.182 63.100 -0.130 0.000 0.775 514 P CB 0.330 31.927 31.700 -0.171 0.000 0.854 515 M N 2.794 122.337 119.600 -0.095 0.000 2.188 515 M HA 0.045 4.525 4.480 -0.000 0.000 0.354 515 M C 0.173 176.466 176.300 -0.012 0.000 1.342 515 M CA 0.167 55.466 55.300 -0.000 0.000 1.117 515 M CB 0.114 32.811 32.600 0.161 0.000 1.670 515 M HN 0.350 nan 8.290 nan 0.000 0.466 516 Q N 3.068 122.868 119.800 0.001 0.000 2.443 516 Q HA 0.230 4.570 4.340 -0.000 0.000 0.232 516 Q C -0.941 175.083 176.000 0.040 0.000 1.026 516 Q CA -0.208 55.593 55.803 -0.002 0.000 0.924 516 Q CB 0.808 29.546 28.738 -0.002 0.000 1.256 516 Q HN 0.531 nan 8.270 nan 0.000 0.519 517 Q N 1.076 120.898 119.800 0.036 0.000 2.271 517 Q HA 0.345 4.685 4.340 -0.000 0.000 0.268 517 Q C -1.043 174.989 176.000 0.054 0.000 1.021 517 Q CA -0.498 55.342 55.803 0.062 0.000 0.802 517 Q CB 2.338 31.131 28.738 0.092 0.000 1.282 517 Q HN 0.689 nan 8.270 nan 0.000 0.431 518 I N 1.909 122.518 120.570 0.066 0.000 2.668 518 I HA 0.265 4.435 4.170 -0.000 0.000 0.285 518 I C -0.403 175.772 176.117 0.096 0.000 1.168 518 I CA 0.448 61.800 61.300 0.087 0.000 1.424 518 I CB 0.345 38.420 38.000 0.126 0.000 1.377 518 I HN 0.745 nan 8.210 nan 0.000 0.560 519 A N 0.000 122.865 122.820 0.074 0.000 2.254 519 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 519 A CA 0.000 52.077 52.037 0.067 0.000 0.836 519 A CB 0.000 19.027 19.000 0.045 0.000 0.831 519 A HN 0.000 nan 8.150 nan 0.000 0.486