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 3bl8_1_B DATA FIRST_RESID 40 DATA SEQUENCE QKPVVNTAYG RVRGVRRELN NEILGPVVQF LGVPYATPPL GARRFQPPEA DATA SEQUENCE PASWPGVRNA TTLPPAcPQN LHGALPAIML PVWFTDNLEA AATYVQNQSE DATA SEQUENCE DcLYLNLYVP TXXXXXXXXX XXXXXXXXXX XXXXSGKKPV MLFLHGGSYM DATA SEQUENCE EGTGNMFDGS VLAAYGNVIV VTLNYRLGVL GFLSTGDQAA KGNYGLLDQI DATA SEQUENCE QALRWLSENI AHFGGDPERI TIFGSGAGAS CVNLLILSHH SEGLFQKAIA DATA SEQUENCE QSGTAISSWS VNYQPLKYTR LLAAKVGcDR EDSTEAVEcL RRKSSRELVD DATA SEQUENCE QDVQPARYHI AFGPVVDGDV VPDDPEILMQ QGEFLNYDML IGVNQGEGLK DATA SEQUENCE FVEDSAESED GVSASAFDFT VSNFVDNLYG YPEGKDVLRE TIKFMYTDWA DATA SEQUENCE DRDNGEMRRK TLLALFTDHQ WVAPAVATAK LHADYQSPVY FYTFYHHcQA DATA SEQUENCE EGRPEWADAA HGDELPYVFG VPMVGATDLF PcNFSKNDVM LSAVVMTYWT DATA SEQUENCE NFAKTGDPNQ PVPQDTKFIH TKPNRFEEVV WSKFNSKEKQ YLHIGLKPRV DATA SEQUENCE RDNYRANKVA FWLELVPHL 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 176.005 176.000 0.008 0.000 1.003 40 Q CA 0.000 55.811 55.803 0.014 0.000 1.022 40 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 41 K N 2.689 123.101 120.400 0.020 0.000 2.562 41 K HA 0.510 4.830 4.320 0.000 0.000 0.206 41 K C -2.691 173.943 176.600 0.058 0.000 1.033 41 K CA -1.546 54.755 56.287 0.023 0.000 1.029 41 K CB 1.555 34.069 32.500 0.024 0.000 1.393 41 K HN 0.581 nan 8.250 nan 0.000 0.539 42 P HA 0.148 nan 4.420 nan 0.000 0.288 42 P C -0.893 176.546 177.300 0.231 0.000 1.267 42 P CA -0.676 62.503 63.100 0.131 0.000 0.815 42 P CB 1.479 33.263 31.700 0.139 0.000 0.989 43 V N 4.100 124.135 119.914 0.201 0.000 2.459 43 V HA 0.630 4.750 4.120 0.000 0.000 0.295 43 V C -0.416 175.766 176.094 0.146 0.000 1.029 43 V CA -0.758 61.674 62.300 0.220 0.000 0.874 43 V CB 1.541 33.454 31.823 0.149 0.000 0.985 43 V HN 0.478 nan 8.190 nan 0.000 0.438 44 V N 3.979 123.939 119.914 0.077 0.000 2.815 44 V HA 0.679 4.799 4.120 0.000 0.000 0.314 44 V C -0.316 175.654 176.094 -0.207 0.000 1.064 44 V CA -0.959 61.256 62.300 -0.141 0.000 0.952 44 V CB 1.989 33.586 31.823 -0.377 0.000 1.020 44 V HN 0.896 nan 8.190 nan 0.000 0.439 45 N N 2.301 120.832 118.700 -0.282 0.000 2.434 45 N HA 0.472 5.212 4.740 0.000 0.000 0.272 45 N C -0.209 174.935 175.510 -0.610 0.000 1.040 45 N CA 0.302 53.154 53.050 -0.330 0.000 0.956 45 N CB 1.644 39.956 38.487 -0.293 0.000 1.108 45 N HN 1.175 nan 8.380 nan 0.000 0.481 46 T N -0.424 113.870 114.554 -0.432 0.000 2.942 46 T HA 0.583 4.933 4.350 0.000 0.000 0.289 46 T C 1.387 175.839 174.700 -0.413 0.000 1.044 46 T CA -0.351 61.489 62.100 -0.433 0.000 1.023 46 T CB 1.372 70.292 68.868 0.087 0.000 1.123 46 T HN 0.348 nan 8.240 nan 0.000 0.512 47 A N 0.368 122.971 122.820 -0.362 0.000 1.927 47 A HA -0.102 4.218 4.320 0.000 0.000 0.220 47 A C 1.810 179.028 177.584 -0.610 0.000 1.185 47 A CA 1.753 53.494 52.037 -0.494 0.000 0.639 47 A CB -1.463 17.144 19.000 -0.654 0.000 0.820 47 A HN 0.923 nan 8.150 nan 0.000 0.451 48 Y N -1.178 118.938 120.300 -0.307 0.000 2.523 48 Y HA 0.397 4.947 4.550 0.000 0.000 0.279 48 Y C 1.508 176.702 175.900 -1.176 0.000 1.139 48 Y CA 0.376 58.173 58.100 -0.505 0.000 1.296 48 Y CB -0.001 38.318 38.460 -0.236 0.000 1.045 48 Y HN 0.566 nan 8.280 nan 0.000 0.538 49 G N -0.240 108.010 108.800 -0.916 0.000 2.356 49 G HA2 0.167 4.127 3.960 0.000 0.000 0.288 49 G HA3 0.167 4.127 3.960 0.000 0.000 0.288 49 G C -1.501 173.235 174.900 -0.272 0.000 1.302 49 G CA -1.392 43.110 45.100 -0.997 0.000 0.887 49 G HN -0.061 nan 8.290 nan 0.000 0.521 50 R N -0.490 120.072 120.500 0.104 0.000 2.349 50 R HA 0.618 4.958 4.340 0.000 0.000 0.299 50 R C -0.049 176.557 176.300 0.509 0.000 1.027 50 R CA -0.582 55.659 56.100 0.236 0.000 0.958 50 R CB 1.713 32.100 30.300 0.145 0.000 1.047 50 R HN 0.796 nan 8.270 nan 0.000 0.468 51 V N -0.179 119.946 119.914 0.353 0.000 2.680 51 V HA 0.575 4.695 4.120 0.000 0.000 0.309 51 V C -0.233 176.067 176.094 0.344 0.000 1.052 51 V CA -1.208 61.306 62.300 0.356 0.000 0.908 51 V CB 1.929 33.987 31.823 0.391 0.000 1.001 51 V HN 0.773 nan 8.190 nan 0.000 0.431 52 R N 1.935 122.630 120.500 0.325 0.000 2.338 52 R HA 0.726 5.066 4.340 0.000 0.000 0.317 52 R C 0.127 176.622 176.300 0.324 0.000 0.968 52 R CA 0.063 56.350 56.100 0.312 0.000 0.849 52 R CB 1.567 31.967 30.300 0.168 0.000 1.128 52 R HN 1.131 nan 8.270 nan 0.000 0.448 53 G N 1.789 110.740 108.800 0.252 0.000 2.795 53 G HA2 0.547 4.507 3.960 0.000 0.000 0.267 53 G HA3 0.547 4.507 3.960 0.000 0.000 0.267 53 G C -1.036 173.765 174.900 -0.164 0.000 1.362 53 G CA -0.558 44.442 45.100 -0.168 0.000 1.048 53 G HN 0.423 nan 8.290 nan 0.000 0.547 54 V N -0.813 118.959 119.914 -0.236 0.000 2.735 54 V HA 0.618 4.738 4.120 0.000 0.000 0.310 54 V C -0.083 175.929 176.094 -0.137 0.000 1.061 54 V CA -1.108 61.114 62.300 -0.130 0.000 0.913 54 V CB 1.622 33.398 31.823 -0.078 0.000 1.005 54 V HN 0.862 nan 8.190 nan 0.000 0.428 55 R N 3.594 124.049 120.500 -0.074 0.000 2.221 55 R HA 0.583 4.923 4.340 0.000 0.000 0.327 55 R C -0.977 175.312 176.300 -0.017 0.000 1.033 55 R CA -0.589 55.486 56.100 -0.042 0.000 0.887 55 R CB 0.770 31.058 30.300 -0.019 0.000 1.057 55 R HN 0.720 nan 8.270 nan 0.000 0.455 56 R N 2.984 123.484 120.500 -0.001 0.000 2.670 56 R HA 0.304 4.644 4.340 0.000 0.000 0.289 56 R C -0.593 175.719 176.300 0.020 0.000 0.965 56 R CA -1.011 55.097 56.100 0.013 0.000 0.899 56 R CB 1.332 31.647 30.300 0.026 0.000 1.173 56 R HN 0.651 nan 8.270 nan 0.000 0.456 57 E N 2.013 122.222 120.200 0.016 0.000 2.366 57 E HA 0.258 4.608 4.350 0.000 0.000 0.266 57 E C 0.047 176.657 176.600 0.017 0.000 1.051 57 E CA -0.589 55.821 56.400 0.016 0.000 0.884 57 E CB 1.068 30.775 29.700 0.011 0.000 1.006 57 E HN 0.131 nan 8.360 nan 0.000 0.417 58 L N 2.727 123.960 121.223 0.017 0.000 2.330 58 L HA 0.227 4.567 4.340 0.000 0.000 0.271 58 L C 1.481 178.354 176.870 0.006 0.000 1.013 58 L CA -0.496 54.350 54.840 0.011 0.000 0.816 58 L CB 1.133 43.201 42.059 0.014 0.000 1.287 58 L HN 0.388 nan 8.230 nan 0.000 0.435 59 N N 1.112 119.810 118.700 -0.002 0.000 2.043 59 N HA -0.141 4.599 4.740 0.000 0.000 0.193 59 N C 0.654 176.168 175.510 0.006 0.000 1.037 59 N CA 0.847 53.896 53.050 -0.001 0.000 0.851 59 N CB -0.029 38.453 38.487 -0.009 0.000 1.027 59 N HN 0.574 nan 8.380 nan 0.000 0.422 60 N N 1.875 120.579 118.700 0.008 0.000 2.412 60 N HA -0.081 4.659 4.740 0.000 0.000 0.258 60 N C 0.546 176.070 175.510 0.023 0.000 1.236 60 N CA 0.162 53.228 53.050 0.026 0.000 0.882 60 N CB 0.772 39.284 38.487 0.041 0.000 1.066 60 N HN 0.228 nan 8.380 nan 0.000 0.465 61 E N 2.401 122.611 120.200 0.016 0.000 2.085 61 E HA -0.215 4.135 4.350 0.000 0.000 0.194 61 E C 1.515 178.117 176.600 0.003 0.000 0.994 61 E CA 1.087 57.489 56.400 0.003 0.000 0.801 61 E CB 0.071 29.765 29.700 -0.010 0.000 0.743 61 E HN 0.613 nan 8.360 nan 0.000 0.453 62 I N 0.932 121.502 120.570 0.000 0.000 2.500 62 I HA -0.054 4.116 4.170 0.000 0.000 0.252 62 I C 0.484 176.625 176.117 0.040 0.000 1.142 62 I CA 0.413 61.715 61.300 0.005 0.000 1.451 62 I CB 0.017 38.001 38.000 -0.027 0.000 1.093 62 I HN -0.047 nan 8.210 nan 0.000 0.430 63 L N -0.781 120.479 121.223 0.061 0.000 2.395 63 L HA 0.697 5.037 4.340 0.000 0.000 0.269 63 L C 0.717 177.618 176.870 0.051 0.000 1.133 63 L CA -0.133 54.754 54.840 0.077 0.000 0.812 63 L CB -0.444 41.680 42.059 0.108 0.000 1.125 63 L HN -0.012 nan 8.230 nan 0.000 0.452 64 G N 0.920 109.751 108.800 0.051 0.000 2.574 64 G HA2 0.714 4.674 3.960 0.000 0.000 0.248 64 G HA3 0.714 4.674 3.960 0.000 0.000 0.248 64 G C -2.577 172.348 174.900 0.042 0.000 1.422 64 G CA -1.018 44.106 45.100 0.040 0.000 1.051 64 G HN 0.684 nan 8.290 nan 0.000 0.560 65 P HA 0.507 nan 4.420 nan 0.000 0.283 65 P C -0.774 176.557 177.300 0.052 0.000 1.278 65 P CA -0.514 62.610 63.100 0.040 0.000 0.834 65 P CB 1.848 33.566 31.700 0.030 0.000 1.150 66 V N -1.774 118.174 119.914 0.056 0.000 2.925 66 V HA 0.644 4.764 4.120 0.000 0.000 0.311 66 V C -0.113 175.997 176.094 0.028 0.000 1.104 66 V CA -1.280 61.062 62.300 0.070 0.000 0.954 66 V CB 1.431 33.326 31.823 0.119 0.000 1.022 66 V HN 0.446 nan 8.190 nan 0.000 0.427 67 V N 2.129 122.041 119.914 -0.003 0.000 2.498 67 V HA 0.731 4.851 4.120 0.000 0.000 0.279 67 V C -0.177 175.771 176.094 -0.244 0.000 1.048 67 V CA -0.216 61.989 62.300 -0.158 0.000 0.967 67 V CB 0.886 32.580 31.823 -0.215 0.000 0.988 67 V HN 1.204 nan 8.190 nan 0.000 0.473 68 Q N 3.770 123.356 119.800 -0.355 0.000 2.309 68 Q HA 0.593 4.933 4.340 0.000 0.000 0.270 68 Q C -1.615 174.113 176.000 -0.453 0.000 1.023 68 Q CA -0.566 55.028 55.803 -0.349 0.000 0.758 68 Q CB 1.621 30.245 28.738 -0.189 0.000 1.247 68 Q HN 0.682 nan 8.270 nan 0.000 0.455 69 F N 2.817 122.698 119.950 -0.114 0.000 2.390 69 F HA 0.304 4.831 4.527 0.000 0.000 0.361 69 F C -0.552 175.160 175.800 -0.147 0.000 1.124 69 F CA -0.839 57.132 58.000 -0.049 0.000 1.149 69 F CB 0.736 39.775 39.000 0.065 0.000 1.160 69 F HN 0.422 nan 8.300 nan 0.000 0.501 70 L N 3.039 124.271 121.223 0.014 0.000 2.287 70 L HA 0.561 4.902 4.340 0.000 0.000 0.287 70 L C 0.592 177.449 176.870 -0.023 0.000 1.022 70 L CA -0.673 54.138 54.840 -0.049 0.000 0.814 70 L CB 1.052 43.073 42.059 -0.063 0.000 1.217 70 L HN 0.792 nan 8.230 nan 0.000 0.420 71 G N 2.791 111.581 108.800 -0.016 0.000 2.256 71 G HA2 -0.147 3.813 3.960 0.000 0.000 0.272 71 G HA3 -0.147 3.813 3.960 0.000 0.000 0.272 71 G C 0.044 174.962 174.900 0.031 0.000 1.076 71 G CA 0.092 45.172 45.100 -0.032 0.000 0.882 71 G HN 0.849 nan 8.290 nan 0.000 0.497 72 V N -1.334 118.616 119.914 0.061 0.000 2.555 72 V HA 0.729 4.850 4.120 0.000 0.000 0.286 72 V C -1.392 174.742 176.094 0.068 0.000 1.044 72 V CA -1.872 60.460 62.300 0.054 0.000 1.026 72 V CB 1.319 33.139 31.823 -0.006 0.000 0.981 72 V HN 0.254 nan 8.190 nan 0.000 0.480 73 P HA 0.234 nan 4.420 nan 0.000 0.281 73 P C -0.822 176.301 177.300 -0.295 0.000 1.252 73 P CA -0.001 63.037 63.100 -0.102 0.000 0.778 73 P CB 0.570 32.262 31.700 -0.014 0.000 0.895 74 Y N 1.779 121.789 120.300 -0.483 0.000 2.481 74 Y HA 0.746 5.296 4.550 0.000 0.000 0.247 74 Y C -0.093 175.683 175.900 -0.206 0.000 1.151 74 Y CA -0.818 56.989 58.100 -0.488 0.000 1.238 74 Y CB 0.294 38.457 38.460 -0.494 0.000 1.179 74 Y HN 0.480 nan 8.280 nan 0.000 0.524 75 A N 0.410 122.928 122.820 -0.503 0.000 2.594 75 A HA 0.513 4.833 4.320 0.000 0.000 0.296 75 A C -0.400 176.971 177.584 -0.355 0.000 1.056 75 A CA -0.514 51.309 52.037 -0.357 0.000 0.693 75 A CB 0.015 18.773 19.000 -0.402 0.000 1.278 75 A HN 0.318 nan 8.150 nan 0.000 0.408 76 T N 2.124 116.560 114.554 -0.197 0.000 2.867 76 T HA 0.443 4.793 4.350 0.000 0.000 0.297 76 T C -2.284 172.297 174.700 -0.198 0.000 0.989 76 T CA -0.752 61.257 62.100 -0.153 0.000 1.159 76 T CB -0.215 68.614 68.868 -0.065 0.000 0.928 76 T HN 0.470 nan 8.240 nan 0.000 0.538 77 P HA 0.082 nan 4.420 nan 0.000 0.260 77 P C -2.403 174.804 177.300 -0.155 0.000 1.172 77 P CA -1.119 61.864 63.100 -0.195 0.000 0.760 77 P CB -0.375 31.255 31.700 -0.117 0.000 0.773 78 P HA 0.221 nan 4.420 nan 0.000 0.232 78 P C 0.284 177.480 177.300 -0.172 0.000 1.814 78 P CA -0.003 62.993 63.100 -0.174 0.000 1.085 78 P CB 0.293 31.871 31.700 -0.202 0.000 1.901 79 L N 0.649 121.792 121.223 -0.134 0.000 2.515 79 L HA 0.275 4.616 4.340 0.000 0.000 0.202 79 L C 1.886 178.693 176.870 -0.104 0.000 1.056 79 L CA 1.035 55.809 54.840 -0.110 0.000 0.847 79 L CB -0.225 41.788 42.059 -0.076 0.000 1.131 79 L HN 0.283 nan 8.230 nan 0.000 0.484 80 G N -1.130 107.617 108.800 -0.087 0.000 2.727 80 G HA2 0.198 4.158 3.960 0.000 0.000 0.212 80 G HA3 0.198 4.158 3.960 0.000 0.000 0.212 80 G C 1.093 175.958 174.900 -0.059 0.000 2.076 80 G CA 0.590 45.653 45.100 -0.062 0.000 0.744 80 G HN 0.198 nan 8.290 nan 0.000 0.775 81 A N -0.122 122.674 122.820 -0.040 0.000 2.209 81 A HA 0.191 4.512 4.320 0.000 0.000 0.212 81 A C 2.134 179.687 177.584 -0.051 0.000 1.158 81 A CA 0.564 52.585 52.037 -0.027 0.000 0.742 81 A CB -0.249 18.747 19.000 -0.008 0.000 0.790 81 A HN 0.362 nan 8.150 nan 0.000 0.472 82 R N -0.528 119.922 120.500 -0.085 0.000 2.313 82 R HA 0.053 4.393 4.340 0.000 0.000 0.199 82 R C 0.844 177.016 176.300 -0.213 0.000 0.958 82 R CA -0.108 55.922 56.100 -0.117 0.000 1.047 82 R CB -0.082 30.154 30.300 -0.107 0.000 0.955 82 R HN 0.411 nan 8.270 nan 0.000 0.481 83 R N 0.886 121.231 120.500 -0.259 0.000 2.489 83 R HA -0.076 4.264 4.340 0.000 0.000 0.287 83 R C -0.582 175.413 176.300 -0.509 0.000 1.053 83 R CA 0.204 55.994 56.100 -0.516 0.000 1.036 83 R CB 0.133 30.093 30.300 -0.567 0.000 0.966 83 R HN 0.048 nan 8.270 nan 0.000 0.432 84 F N 0.428 120.063 119.950 -0.525 0.000 3.071 84 F HA -0.255 4.272 4.527 0.000 0.000 0.295 84 F C -0.254 174.958 175.800 -0.979 0.000 0.919 84 F CA 0.820 58.208 58.000 -1.021 0.000 1.050 84 F CB -1.741 37.010 39.000 -0.416 0.000 1.040 84 F HN 0.575 nan 8.300 nan 0.000 0.692 85 Q N 0.899 120.326 119.800 -0.622 0.000 2.315 85 Q HA 0.561 4.901 4.340 0.000 0.000 0.273 85 Q C -2.614 173.380 176.000 -0.010 0.000 1.053 85 Q CA -2.265 53.449 55.803 -0.149 0.000 0.817 85 Q CB 2.376 31.071 28.738 -0.071 0.000 1.326 85 Q HN -0.140 nan 8.270 nan 0.000 0.423 86 P HA 0.032 nan 4.420 nan 0.000 0.263 86 P C -2.493 174.857 177.300 0.083 0.000 1.175 86 P CA -0.628 62.583 63.100 0.184 0.000 0.761 86 P CB -0.307 31.498 31.700 0.174 0.000 0.794 87 P HA 0.208 nan 4.420 nan 0.000 0.276 87 P C -0.233 177.091 177.300 0.039 0.000 1.235 87 P CA 0.194 63.304 63.100 0.016 0.000 0.772 87 P CB 0.925 32.633 31.700 0.013 0.000 0.871 88 E N 1.217 121.424 120.200 0.012 0.000 2.250 88 E HA 0.527 4.878 4.350 0.000 0.000 0.265 88 E C 0.180 176.798 176.600 0.030 0.000 1.033 88 E CA -1.046 55.376 56.400 0.037 0.000 0.888 88 E CB 0.920 30.639 29.700 0.032 0.000 1.151 88 E HN 0.492 nan 8.360 nan 0.000 0.412 89 A N 2.560 125.426 122.820 0.077 0.000 2.583 89 A HA 0.109 4.430 4.320 0.000 0.000 0.231 89 A C -2.039 175.549 177.584 0.007 0.000 1.065 89 A CA -0.695 51.396 52.037 0.091 0.000 0.760 89 A CB -0.594 18.538 19.000 0.219 0.000 1.001 89 A HN 0.338 nan 8.150 nan 0.000 0.509 90 P HA 0.325 nan 4.420 nan 0.000 0.274 90 P C -0.348 176.977 177.300 0.042 0.000 1.237 90 P CA 0.032 63.047 63.100 -0.142 0.000 0.793 90 P CB 0.712 32.241 31.700 -0.285 0.000 0.977 91 A N 1.950 124.838 122.820 0.114 0.000 2.450 91 A HA 0.295 4.615 4.320 0.000 0.000 0.255 91 A C 0.838 178.638 177.584 0.360 0.000 1.096 91 A CA 0.032 52.192 52.037 0.205 0.000 0.778 91 A CB -0.482 18.616 19.000 0.164 0.000 1.031 91 A HN 0.545 nan 8.150 nan 0.000 0.494 92 S N 1.486 117.361 115.700 0.292 0.000 2.632 92 S HA 0.653 5.123 4.470 0.000 0.000 0.267 92 S C -0.620 174.145 174.600 0.275 0.000 1.276 92 S CA -0.046 58.265 58.200 0.186 0.000 0.998 92 S CB 0.270 63.495 63.200 0.042 0.000 0.953 92 S HN 1.243 nan 8.310 nan 0.000 0.547 93 W N 2.641 124.010 121.300 0.115 0.000 3.217 93 W HA 0.726 5.386 4.660 0.000 0.000 0.323 93 W C -2.991 173.564 176.519 0.060 0.000 1.216 93 W CA -1.805 55.589 57.345 0.081 0.000 1.194 93 W CB -0.328 29.184 29.460 0.087 0.000 1.397 93 W HN 0.517 nan 8.180 nan 0.000 0.537 94 P HA 0.587 nan 4.420 nan 0.000 0.279 94 P C 0.634 178.109 177.300 0.292 0.000 1.276 94 P CA 0.740 63.944 63.100 0.173 0.000 0.801 94 P CB 0.905 32.676 31.700 0.119 0.000 1.127 95 G N -0.537 108.375 108.800 0.188 0.000 2.601 95 G HA2 -0.107 3.853 3.960 0.000 0.000 0.261 95 G HA3 -0.107 3.853 3.960 0.000 0.000 0.261 95 G C -0.405 174.659 174.900 0.272 0.000 1.289 95 G CA 0.046 45.256 45.100 0.183 0.000 0.920 95 G HN 0.889 nan 8.290 nan 0.000 0.571 96 V N -2.436 117.606 119.914 0.214 0.000 2.459 96 V HA 0.840 4.960 4.120 0.000 0.000 0.295 96 V C 0.432 176.601 176.094 0.126 0.000 1.029 96 V CA -0.555 61.883 62.300 0.231 0.000 0.874 96 V CB 1.680 33.596 31.823 0.155 0.000 0.985 96 V HN 1.008 nan 8.190 nan 0.000 0.438 97 R N 3.285 123.833 120.500 0.081 0.000 2.297 97 R HA 0.387 4.727 4.340 0.000 0.000 0.308 97 R C -0.369 175.891 176.300 -0.066 0.000 1.029 97 R CA -0.584 55.379 56.100 -0.230 0.000 0.929 97 R CB 0.775 30.585 30.300 -0.816 0.000 1.046 97 R HN 0.865 nan 8.270 nan 0.000 0.461 98 N N 2.140 120.788 118.700 -0.086 0.000 2.442 98 N HA 0.112 4.853 4.740 0.000 0.000 0.265 98 N C -0.785 174.705 175.510 -0.032 0.000 1.138 98 N CA 0.222 53.254 53.050 -0.029 0.000 0.956 98 N CB 1.722 40.183 38.487 -0.043 0.000 1.067 98 N HN 0.642 nan 8.380 nan 0.000 0.474 99 A N 1.599 124.448 122.820 0.049 0.000 3.105 99 A HA 0.196 4.516 4.320 0.000 0.000 0.297 99 A C 0.464 178.075 177.584 0.044 0.000 0.977 99 A CA -0.581 51.493 52.037 0.061 0.000 1.020 99 A CB -0.398 18.714 19.000 0.188 0.000 1.098 99 A HN 0.489 nan 8.150 nan 0.000 0.497 100 T N -2.453 112.100 114.554 -0.002 0.000 3.316 100 T HA 0.520 4.871 4.350 0.000 0.000 0.253 100 T C -0.154 174.525 174.700 -0.035 0.000 0.995 100 T CA 0.111 62.198 62.100 -0.022 0.000 1.031 100 T CB -0.078 68.780 68.868 -0.016 0.000 1.125 100 T HN 0.714 nan 8.240 nan 0.000 0.539 101 T N 0.747 115.275 114.554 -0.043 0.000 2.907 101 T HA 0.495 4.845 4.350 0.000 0.000 0.344 101 T C -1.802 172.863 174.700 -0.057 0.000 1.675 101 T CA -0.719 61.351 62.100 -0.051 0.000 1.076 101 T CB 0.824 69.654 68.868 -0.063 0.000 1.483 101 T HN 0.235 nan 8.240 nan 0.000 0.487 102 L N 5.107 126.305 121.223 -0.042 0.000 2.350 102 L HA 0.540 4.880 4.340 0.000 0.000 0.275 102 L C -1.519 175.308 176.870 -0.072 0.000 1.099 102 L CA -1.396 53.430 54.840 -0.024 0.000 0.808 102 L CB 0.768 42.842 42.059 0.026 0.000 1.149 102 L HN 0.561 nan 8.230 nan 0.000 0.442 103 P HA 0.200 nan 4.420 nan 0.000 0.273 103 P C -2.713 174.538 177.300 -0.081 0.000 1.250 103 P CA -1.187 61.813 63.100 -0.167 0.000 0.793 103 P CB -0.419 31.226 31.700 -0.092 0.000 1.011 104 P HA 0.247 nan 4.420 nan 0.000 0.282 104 P C -0.738 176.578 177.300 0.027 0.000 1.249 104 P CA -0.321 62.766 63.100 -0.022 0.000 0.806 104 P CB 0.547 32.230 31.700 -0.028 0.000 0.984 105 A N 2.142 124.977 122.820 0.026 0.000 2.340 105 A HA 0.331 4.651 4.320 0.000 0.000 0.268 105 A C 0.304 177.902 177.584 0.024 0.000 1.100 105 A CA -0.406 51.648 52.037 0.028 0.000 0.803 105 A CB -0.189 18.829 19.000 0.031 0.000 1.043 105 A HN 0.654 nan 8.150 nan 0.000 0.488 106 c N 2.620 121.230 118.600 0.016 0.000 2.644 106 c HA 0.329 4.900 4.570 0.000 0.000 0.417 106 c C -2.054 172.043 174.090 0.011 0.000 1.304 106 c CA -0.497 55.837 56.329 0.009 0.000 2.035 106 c CB -0.306 42.202 42.510 -0.003 0.000 2.673 106 c HN 0.635 nan 8.230 nan 0.000 0.602 107 P HA 0.092 nan 4.420 nan 0.000 0.260 107 P C -0.711 176.601 177.300 0.021 0.000 1.185 107 P CA 0.801 63.904 63.100 0.006 0.000 0.763 107 P CB 0.035 31.726 31.700 -0.014 0.000 0.776 108 Q N 1.687 121.507 119.800 0.033 0.000 2.352 108 Q HA 0.305 4.645 4.340 0.000 0.000 0.270 108 Q C -1.272 174.762 176.000 0.058 0.000 1.006 108 Q CA -0.915 54.918 55.803 0.050 0.000 0.880 108 Q CB 1.543 30.320 28.738 0.065 0.000 1.392 108 Q HN 0.293 nan 8.270 nan 0.000 0.401 109 N N 3.449 122.183 118.700 0.058 0.000 2.422 109 N HA 0.184 4.924 4.740 0.000 0.000 0.264 109 N C -0.330 175.228 175.510 0.080 0.000 1.063 109 N CA -0.115 52.975 53.050 0.067 0.000 0.959 109 N CB 0.855 39.376 38.487 0.057 0.000 1.087 109 N HN 0.774 nan 8.380 nan 0.000 0.483 110 L N 2.550 123.834 121.223 0.102 0.000 2.425 110 L HA 0.104 4.444 4.340 0.000 0.000 0.215 110 L C 0.304 177.138 176.870 -0.060 0.000 1.065 110 L CA 0.341 55.217 54.840 0.061 0.000 0.842 110 L CB 0.014 42.121 42.059 0.081 0.000 1.033 110 L HN 0.627 nan 8.230 nan 0.000 0.474 111 H N -0.315 118.762 119.070 0.011 0.000 2.499 111 H HA 0.465 5.021 4.556 0.000 0.000 0.262 111 H C 0.370 175.704 175.328 0.010 0.000 1.363 111 H CA 0.121 56.169 56.048 0.001 0.000 1.072 111 H CB 0.268 30.023 29.762 -0.011 0.000 1.602 111 H HN 0.209 nan 8.280 nan 0.000 0.526 112 G N -0.675 108.167 108.800 0.069 0.000 2.933 112 G HA2 0.512 4.473 3.960 0.000 0.000 0.203 112 G HA3 0.512 4.473 3.960 0.000 0.000 0.203 112 G C -0.910 174.013 174.900 0.038 0.000 1.170 112 G CA -0.282 44.852 45.100 0.057 0.000 0.880 112 G HN 0.380 nan 8.290 nan 0.000 0.573 113 A N -0.283 122.563 122.820 0.045 0.000 2.515 113 A HA 0.552 4.872 4.320 0.000 0.000 0.263 113 A C -0.759 176.848 177.584 0.037 0.000 1.096 113 A CA 0.510 52.573 52.037 0.043 0.000 0.769 113 A CB -0.044 18.992 19.000 0.060 0.000 1.040 113 A HN 1.202 nan 8.150 nan 0.000 0.505 114 L N 5.289 126.525 121.223 0.020 0.000 2.528 114 L HA 0.514 4.854 4.340 0.000 0.000 0.267 114 L C -2.487 174.374 176.870 -0.015 0.000 0.961 114 L CA -1.252 53.592 54.840 0.006 0.000 0.866 114 L CB 2.237 44.299 42.059 0.005 0.000 1.248 114 L HN 0.433 nan 8.230 nan 0.000 0.404 115 P HA 0.304 nan 4.420 nan 0.000 0.249 115 P C 0.258 177.498 177.300 -0.100 0.000 1.737 115 P CA -0.089 62.972 63.100 -0.065 0.000 1.128 115 P CB 0.721 32.372 31.700 -0.082 0.000 1.942 116 A N 1.769 124.553 122.820 -0.061 0.000 2.208 116 A HA -0.004 4.316 4.320 0.000 0.000 0.209 116 A C 1.556 179.113 177.584 -0.045 0.000 1.161 116 A CA 0.317 52.321 52.037 -0.054 0.000 0.782 116 A CB -0.834 18.153 19.000 -0.021 0.000 0.816 116 A HN 0.438 nan 8.150 nan 0.000 0.477 117 I N -1.569 118.983 120.570 -0.030 0.000 3.176 117 I HA -0.047 4.123 4.170 0.000 0.000 0.275 117 I C 2.113 178.212 176.117 -0.029 0.000 1.298 117 I CA 1.144 62.481 61.300 0.062 0.000 1.445 117 I CB -0.129 37.969 38.000 0.163 0.000 1.075 117 I HN 0.450 nan 8.210 nan 0.000 0.482 118 M N -0.354 119.081 119.600 -0.276 0.000 2.296 118 M HA 0.305 4.786 4.480 0.000 0.000 0.291 118 M C 0.259 176.292 176.300 -0.446 0.000 1.013 118 M CA 0.079 54.994 55.300 -0.643 0.000 1.089 118 M CB 0.854 32.893 32.600 -0.934 0.000 1.677 118 M HN -0.023 nan 8.290 nan 0.000 0.584 119 L N 3.422 124.475 121.223 -0.284 0.000 2.453 119 L HA 0.246 4.586 4.340 0.000 0.000 0.272 119 L C -2.103 174.662 176.870 -0.175 0.000 1.182 119 L CA -1.789 52.892 54.840 -0.266 0.000 0.858 119 L CB -0.039 41.916 42.059 -0.175 0.000 1.120 119 L HN -0.001 nan 8.230 nan 0.000 0.474 120 P HA -0.053 nan 4.420 nan 0.000 0.266 120 P C 0.963 178.048 177.300 -0.359 0.000 1.195 120 P CA -0.093 62.894 63.100 -0.188 0.000 0.768 120 P CB 0.699 32.044 31.700 -0.591 0.000 0.838 121 V N 4.142 123.995 119.914 -0.103 0.000 2.278 121 V HA -0.248 3.872 4.120 0.000 0.000 0.251 121 V C 1.986 178.079 176.094 -0.002 0.000 1.062 121 V CA 2.087 64.386 62.300 -0.001 0.000 1.038 121 V CB -1.217 30.675 31.823 0.115 0.000 0.646 121 V HN 0.756 nan 8.190 nan 0.000 0.447 122 W N -0.872 120.514 121.300 0.143 0.000 2.358 122 W HA -0.244 4.417 4.660 0.001 0.000 0.303 122 W C 2.397 178.899 176.519 -0.029 0.000 1.208 122 W CA 1.195 58.567 57.345 0.045 0.000 1.274 122 W CB -1.608 27.880 29.460 0.046 0.000 1.138 122 W HN 0.336 nan 8.180 nan 0.000 0.515 123 F N 2.694 122.295 119.950 -0.582 0.000 2.102 123 F HA -0.190 4.337 4.527 0.000 0.000 0.298 123 F C 2.938 178.586 175.800 -0.253 0.000 1.105 123 F CA 3.074 60.782 58.000 -0.487 0.000 1.239 123 F CB -0.695 37.776 39.000 -0.883 0.000 0.991 123 F HN -0.147 nan 8.300 nan 0.000 0.474 124 T N -1.045 113.487 114.554 -0.037 0.000 2.995 124 T HA -0.119 4.231 4.350 0.000 0.000 0.269 124 T C 1.631 176.275 174.700 -0.093 0.000 1.091 124 T CA 1.525 63.594 62.100 -0.051 0.000 1.128 124 T CB -0.473 68.394 68.868 -0.001 0.000 0.891 124 T HN 0.257 nan 8.240 nan 0.000 0.492 125 D N 1.352 121.711 120.400 -0.068 0.000 2.123 125 D HA 0.017 4.657 4.640 0.000 0.000 0.200 125 D C 1.059 177.308 176.300 -0.084 0.000 0.976 125 D CA 0.884 54.856 54.000 -0.046 0.000 0.831 125 D CB -0.056 40.749 40.800 0.009 0.000 0.974 125 D HN 0.426 nan 8.370 nan 0.000 0.469 126 N N 0.654 119.276 118.700 -0.129 0.000 2.535 126 N HA 0.132 4.873 4.740 0.000 0.000 0.294 126 N C 1.235 176.605 175.510 -0.232 0.000 1.408 126 N CA -0.028 52.936 53.050 -0.144 0.000 0.927 126 N CB 1.109 39.528 38.487 -0.113 0.000 1.276 126 N HN 0.115 nan 8.380 nan 0.000 0.505 127 L N 0.285 121.335 121.223 -0.289 0.000 2.263 127 L HA -0.225 4.115 4.340 0.000 0.000 0.216 127 L C 2.469 179.233 176.870 -0.177 0.000 1.111 127 L CA 1.282 55.906 54.840 -0.360 0.000 0.773 127 L CB -0.066 41.762 42.059 -0.385 0.000 0.906 127 L HN 0.181 nan 8.230 nan 0.000 0.439 128 E N 0.389 120.531 120.200 -0.096 0.000 2.031 128 E HA -0.209 4.141 4.350 0.000 0.000 0.193 128 E C 2.155 178.715 176.600 -0.065 0.000 0.994 128 E CA 1.692 58.069 56.400 -0.038 0.000 0.800 128 E CB -0.159 29.518 29.700 -0.039 0.000 0.752 128 E HN 0.375 nan 8.360 nan 0.000 0.447 129 A N 0.111 122.879 122.820 -0.087 0.000 2.067 129 A HA 0.206 4.526 4.320 0.000 0.000 0.217 129 A C 2.256 179.828 177.584 -0.020 0.000 1.156 129 A CA 1.399 53.390 52.037 -0.076 0.000 0.683 129 A CB -0.538 18.424 19.000 -0.063 0.000 0.808 129 A HN 0.345 nan 8.150 nan 0.000 0.455 130 A N 0.123 122.893 122.820 -0.084 0.000 1.872 130 A HA 0.249 4.570 4.320 0.000 0.000 0.214 130 A C 2.462 180.058 177.584 0.019 0.000 1.187 130 A CA 1.655 53.648 52.037 -0.073 0.000 0.614 130 A CB -0.998 17.671 19.000 -0.552 0.000 0.826 130 A HN 0.994 nan 8.150 nan 0.000 0.442 131 A N -0.475 122.319 122.820 -0.043 0.000 1.978 131 A HA -0.126 4.194 4.320 0.000 0.000 0.220 131 A C 2.202 179.783 177.584 -0.006 0.000 1.170 131 A CA 2.318 54.370 52.037 0.024 0.000 0.636 131 A CB -1.412 17.652 19.000 0.107 0.000 0.810 131 A HN 0.467 nan 8.150 nan 0.000 0.448 132 T N -1.266 113.240 114.554 -0.081 0.000 2.778 132 T HA -0.210 4.140 4.350 0.000 0.000 0.269 132 T C 1.550 176.100 174.700 -0.250 0.000 1.050 132 T CA 1.893 63.869 62.100 -0.207 0.000 1.137 132 T CB -0.473 68.183 68.868 -0.353 0.000 0.860 132 T HN 0.671 nan 8.240 nan 0.000 0.468 133 Y N 0.301 120.569 120.300 -0.053 0.000 2.365 133 Y HA 0.136 4.686 4.550 0.000 0.000 0.293 133 Y C 2.057 177.943 175.900 -0.023 0.000 1.119 133 Y CA 0.159 58.234 58.100 -0.042 0.000 1.203 133 Y CB 0.256 38.688 38.460 -0.048 0.000 1.026 133 Y HN 0.005 nan 8.280 nan 0.000 0.549 134 V N 0.147 120.138 119.914 0.127 0.000 3.331 134 V HA -0.020 4.101 4.120 0.000 0.000 0.332 134 V C 1.444 177.559 176.094 0.036 0.000 1.341 134 V CA 0.157 62.505 62.300 0.080 0.000 1.218 134 V CB -0.112 31.767 31.823 0.093 0.000 1.152 134 V HN 0.227 nan 8.190 nan 0.000 0.445 135 Q N 2.217 122.021 119.800 0.007 0.000 2.061 135 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 135 Q C 0.728 176.717 176.000 -0.017 0.000 0.984 135 Q CA 1.763 57.553 55.803 -0.021 0.000 0.846 135 Q CB -0.132 28.573 28.738 -0.054 0.000 0.902 135 Q HN 0.804 nan 8.270 nan 0.000 0.421 136 N N 0.997 119.688 118.700 -0.015 0.000 2.485 136 N HA 0.209 4.950 4.740 0.000 0.000 0.243 136 N C -1.160 174.346 175.510 -0.008 0.000 0.987 136 N CA -0.270 52.769 53.050 -0.019 0.000 0.940 136 N CB 1.214 39.682 38.487 -0.031 0.000 1.122 136 N HN 0.157 nan 8.380 nan 0.000 0.509 137 Q N 1.037 120.834 119.800 -0.006 0.000 2.215 137 Q HA 0.639 4.979 4.340 0.000 0.000 0.256 137 Q C -0.732 175.264 176.000 -0.007 0.000 0.972 137 Q CA -0.634 55.169 55.803 0.000 0.000 0.889 137 Q CB 1.942 30.682 28.738 0.004 0.000 1.281 137 Q HN 0.490 nan 8.270 nan 0.000 0.456 138 S N -0.088 115.611 115.700 -0.002 0.000 2.602 138 S HA 0.011 4.482 4.470 0.000 0.000 0.301 138 S C -0.201 174.396 174.600 -0.006 0.000 1.091 138 S CA -0.580 57.616 58.200 -0.006 0.000 0.895 138 S CB 1.347 64.547 63.200 -0.000 0.000 1.090 138 S HN 0.814 nan 8.310 nan 0.000 0.449 139 E N 1.714 121.898 120.200 -0.028 0.000 2.333 139 E HA -0.131 4.219 4.350 0.000 0.000 0.198 139 E C -0.044 176.526 176.600 -0.050 0.000 1.007 139 E CA 0.632 56.999 56.400 -0.054 0.000 0.845 139 E CB 0.142 29.791 29.700 -0.086 0.000 0.766 139 E HN 0.560 nan 8.360 nan 0.000 0.507 140 D N 0.016 120.409 120.400 -0.012 0.000 2.517 140 D HA -0.013 4.628 4.640 0.000 0.000 0.220 140 D C -0.031 176.361 176.300 0.153 0.000 1.158 140 D CA -0.229 53.787 54.000 0.026 0.000 0.992 140 D CB -0.127 40.706 40.800 0.056 0.000 1.058 140 D HN 0.171 nan 8.370 nan 0.000 0.516 141 c N 1.908 120.551 118.600 0.072 0.000 3.657 141 c HA 0.385 4.955 4.570 0.000 0.000 0.291 141 c C 0.935 175.070 174.090 0.075 0.000 1.572 141 c CA -0.664 55.776 56.329 0.185 0.000 1.818 141 c CB -1.313 41.256 42.510 0.097 0.000 2.903 141 c HN 0.405 nan 8.230 nan 0.000 0.632 142 L N 2.440 123.461 121.223 -0.337 0.000 2.376 142 L HA 0.305 4.646 4.340 0.000 0.000 0.250 142 L C -0.810 175.463 176.870 -0.995 0.000 1.335 142 L CA 0.702 55.147 54.840 -0.658 0.000 1.214 142 L CB -0.934 40.610 42.059 -0.858 0.000 1.395 142 L HN 0.434 nan 8.230 nan 0.000 0.424 143 Y N 1.348 121.634 120.300 -0.025 0.000 2.576 143 Y HA 0.667 5.217 4.550 0.000 0.000 0.346 143 Y C -0.091 175.966 175.900 0.261 0.000 1.018 143 Y CA -1.282 56.867 58.100 0.082 0.000 1.050 143 Y CB 2.019 40.467 38.460 -0.021 0.000 1.280 143 Y HN 0.156 nan 8.280 nan 0.000 0.474 144 L N -0.053 121.328 121.223 0.263 0.000 2.393 144 L HA 0.760 5.100 4.340 0.000 0.000 0.260 144 L C -1.612 175.259 176.870 0.001 0.000 1.002 144 L CA -1.006 53.879 54.840 0.075 0.000 0.818 144 L CB 2.139 44.111 42.059 -0.145 0.000 1.369 144 L HN 0.451 nan 8.230 nan 0.000 0.412 145 N N 2.729 121.437 118.700 0.014 0.000 2.417 145 N HA 0.527 5.268 4.740 0.000 0.000 0.274 145 N C -1.434 173.994 175.510 -0.138 0.000 0.987 145 N CA -0.347 52.653 53.050 -0.083 0.000 0.912 145 N CB 2.220 40.663 38.487 -0.075 0.000 1.177 145 N HN 0.449 nan 8.380 nan 0.000 0.490 146 L N 2.810 123.924 121.223 -0.181 0.000 2.282 146 L HA 0.369 4.710 4.340 0.000 0.000 0.288 146 L C -0.539 176.195 176.870 -0.228 0.000 1.033 146 L CA -0.654 54.130 54.840 -0.093 0.000 0.807 146 L CB -0.110 41.914 42.059 -0.058 0.000 1.209 146 L HN 0.433 nan 8.230 nan 0.000 0.423 147 Y N 2.963 123.345 120.300 0.136 0.000 2.721 147 Y HA 0.405 4.956 4.550 0.000 0.000 0.328 147 Y C 0.176 176.153 175.900 0.128 0.000 1.003 147 Y CA -0.723 57.446 58.100 0.115 0.000 1.275 147 Y CB 1.232 39.762 38.460 0.117 0.000 1.097 147 Y HN 0.191 nan 8.280 nan 0.000 0.514 148 V N 6.236 126.291 119.914 0.235 0.000 2.383 148 V HA 0.336 4.456 4.120 0.000 0.000 0.275 148 V C -1.996 174.206 176.094 0.181 0.000 1.036 148 V CA -2.136 60.306 62.300 0.237 0.000 0.889 148 V CB 1.209 33.242 31.823 0.350 0.000 0.985 148 V HN 0.461 nan 8.190 nan 0.000 0.459 149 P HA 0.303 nan 4.420 nan 0.000 0.274 149 P C -0.228 177.133 177.300 0.102 0.000 1.237 149 P CA -0.094 63.075 63.100 0.114 0.000 0.793 149 P CB 0.876 32.631 31.700 0.092 0.000 0.977 175 G N 2.690 111.492 108.800 0.004 0.000 3.409 175 G HA2 0.030 3.990 3.960 0.000 0.000 0.686 175 G HA3 0.030 3.990 3.960 0.000 0.000 0.686 175 G C -1.244 173.663 174.900 0.012 0.000 1.017 175 G CA -0.280 44.823 45.100 0.005 0.000 0.854 175 G HN 0.442 nan 8.290 nan 0.000 0.508 176 K N 2.069 122.475 120.400 0.010 0.000 2.307 176 K HA 0.291 4.612 4.320 0.000 0.000 0.263 176 K C 0.474 177.087 176.600 0.021 0.000 0.973 176 K CA -0.727 55.571 56.287 0.018 0.000 0.846 176 K CB 1.993 34.499 32.500 0.009 0.000 1.100 176 K HN 0.591 nan 8.250 nan 0.000 0.438 177 K N 3.510 123.934 120.400 0.039 0.000 2.368 177 K HA 0.171 4.491 4.320 0.000 0.000 0.282 177 K C -2.334 174.288 176.600 0.036 0.000 1.035 177 K CA -1.576 54.733 56.287 0.038 0.000 0.973 177 K CB 0.076 32.613 32.500 0.062 0.000 0.957 177 K HN 0.204 nan 8.250 nan 0.000 0.474 178 P HA -0.026 nan 4.420 nan 0.000 0.270 178 P C -0.828 176.490 177.300 0.030 0.000 1.227 178 P CA -0.293 62.809 63.100 0.005 0.000 0.788 178 P CB 0.558 32.240 31.700 -0.030 0.000 0.926 179 V N 2.560 122.495 119.914 0.036 0.000 2.487 179 V HA 0.416 4.537 4.120 0.000 0.000 0.298 179 V C 0.004 176.144 176.094 0.076 0.000 1.028 179 V CA -0.287 62.057 62.300 0.073 0.000 0.860 179 V CB 1.405 33.284 31.823 0.093 0.000 0.991 179 V HN 0.463 nan 8.190 nan 0.000 0.427 180 M N 5.514 125.186 119.600 0.119 0.000 2.043 180 M HA 0.472 4.952 4.480 0.000 0.000 0.322 180 M C -0.960 175.575 176.300 0.390 0.000 0.962 180 M CA -0.217 55.197 55.300 0.190 0.000 0.927 180 M CB 1.563 34.166 32.600 0.006 0.000 1.466 180 M HN 0.460 nan 8.290 nan 0.000 0.412 181 L N 4.119 125.546 121.223 0.340 0.000 2.265 181 L HA 0.482 4.823 4.340 0.000 0.000 0.288 181 L C -1.372 175.614 176.870 0.194 0.000 1.058 181 L CA -0.387 54.605 54.840 0.253 0.000 0.809 181 L CB 0.786 42.891 42.059 0.076 0.000 1.179 181 L HN 0.623 nan 8.230 nan 0.000 0.429 182 F N 5.784 125.692 119.950 -0.070 0.000 2.405 182 F HA 0.363 4.890 4.527 0.001 0.000 0.355 182 F C -0.755 174.869 175.800 -0.292 0.000 1.121 182 F CA -0.747 56.934 58.000 -0.532 0.000 1.112 182 F CB 0.964 39.667 39.000 -0.495 0.000 1.126 182 F HN 0.268 nan 8.300 nan 0.000 0.481 183 L N 7.331 127.903 121.223 -1.085 0.000 2.264 183 L HA 0.270 4.610 4.340 0.000 0.000 0.287 183 L C 0.123 176.316 176.870 -1.130 0.000 1.039 183 L CA -0.520 53.824 54.840 -0.827 0.000 0.829 183 L CB 0.067 41.781 42.059 -0.576 0.000 1.211 183 L HN 0.704 nan 8.230 nan 0.000 0.427 184 H N 1.203 119.897 119.070 -0.627 0.000 2.136 184 H HA 0.796 5.352 4.556 0.000 0.000 0.311 184 H C 0.533 175.782 175.328 -0.132 0.000 1.737 184 H CA -0.725 55.068 56.048 -0.425 0.000 1.439 184 H CB 0.069 29.834 29.762 0.004 0.000 1.733 184 H HN 0.717 nan 8.280 nan 0.000 0.637 185 G N -2.226 106.697 108.800 0.205 0.000 3.039 185 G HA2 0.091 4.051 3.960 0.000 0.000 0.686 185 G HA3 0.091 4.051 3.960 0.000 0.000 0.686 185 G C 0.555 175.351 174.900 -0.174 0.000 1.066 185 G CA -0.026 45.079 45.100 0.008 0.000 0.774 185 G HN 1.088 nan 8.290 nan 0.000 0.591 186 G N 0.908 109.516 108.800 -0.319 0.000 2.497 186 G HA2 0.507 4.467 3.960 0.000 0.000 0.210 186 G HA3 0.507 4.467 3.960 0.000 0.000 0.210 186 G C 1.339 175.976 174.900 -0.438 0.000 1.177 186 G CA 1.698 46.588 45.100 -0.351 0.000 0.822 186 G HN 2.018 nan 8.290 nan 0.000 0.550 187 S N -1.167 114.277 115.700 -0.427 0.000 2.677 187 S HA 0.470 4.941 4.470 0.000 0.000 0.290 187 S C 0.599 174.928 174.600 -0.452 0.000 1.124 187 S CA -0.558 57.398 58.200 -0.407 0.000 1.017 187 S CB 0.557 63.617 63.200 -0.233 0.000 1.215 187 S HN 0.151 nan 8.310 nan 0.000 0.524 188 Y N -0.682 119.540 120.300 -0.130 0.000 2.457 188 Y HA 0.335 4.886 4.550 0.000 0.000 0.263 188 Y C 1.832 177.769 175.900 0.062 0.000 1.164 188 Y CA -0.170 57.883 58.100 -0.078 0.000 1.274 188 Y CB -0.140 38.090 38.460 -0.384 0.000 1.097 188 Y HN 0.358 nan 8.280 nan 0.000 0.523 189 M N -0.123 119.549 119.600 0.120 0.000 2.388 189 M HA 0.025 4.506 4.480 0.000 0.000 0.265 189 M C 0.450 176.796 176.300 0.078 0.000 1.088 189 M CA 0.748 56.117 55.300 0.115 0.000 1.134 189 M CB -0.259 32.388 32.600 0.077 0.000 1.384 189 M HN 0.161 nan 8.290 nan 0.000 0.447 190 E N -1.262 118.947 120.200 0.014 0.000 2.370 190 E HA 0.814 5.164 4.350 0.000 0.000 0.259 190 E C 0.112 176.713 176.600 0.002 0.000 0.947 190 E CA -0.803 55.597 56.400 0.001 0.000 0.809 190 E CB 0.366 30.033 29.700 -0.056 0.000 1.300 190 E HN 0.143 nan 8.360 nan 0.000 0.419 191 G N -1.247 107.569 108.800 0.027 0.000 2.423 191 G HA2 0.395 4.355 3.960 0.000 0.000 0.684 191 G HA3 0.395 4.355 3.960 0.000 0.000 0.684 191 G C -0.736 174.045 174.900 -0.197 0.000 1.309 191 G CA -0.331 44.787 45.100 0.029 0.000 0.950 191 G HN 1.232 nan 8.290 nan 0.000 0.587 192 T N -1.698 112.475 114.554 -0.635 0.000 3.168 192 T HA 0.601 4.952 4.350 0.000 0.000 0.373 192 T C 1.167 175.516 174.700 -0.585 0.000 1.681 192 T CA 0.801 62.461 62.100 -0.735 0.000 1.135 192 T CB 0.768 69.531 68.868 -0.174 0.000 1.477 192 T HN 2.185 nan 8.240 nan 0.000 0.480 193 G N 2.382 111.010 108.800 -0.287 0.000 2.776 193 G HA2 -0.038 3.922 3.960 0.000 0.000 0.209 193 G HA3 -0.038 3.922 3.960 0.000 0.000 0.209 193 G C 1.086 176.115 174.900 0.214 0.000 1.145 193 G CA 0.295 45.528 45.100 0.220 0.000 0.791 193 G HN 0.684 nan 8.290 nan 0.000 0.530 194 N N 0.600 119.345 118.700 0.075 0.000 2.331 194 N HA -0.002 4.738 4.740 0.000 0.000 0.180 194 N C 2.194 177.619 175.510 -0.142 0.000 1.019 194 N CA 0.667 53.759 53.050 0.069 0.000 0.881 194 N CB -0.195 38.369 38.487 0.128 0.000 0.972 194 N HN 0.346 nan 8.380 nan 0.000 0.435 195 M N -0.885 118.431 119.600 -0.474 0.000 2.476 195 M HA 0.038 4.519 4.480 0.000 0.000 0.262 195 M C -0.450 175.267 176.300 -0.973 0.000 1.079 195 M CA 0.784 55.366 55.300 -1.195 0.000 1.104 195 M CB -0.062 31.816 32.600 -1.204 0.000 1.409 195 M HN -0.092 nan 8.290 nan 0.000 0.467 196 F N 0.645 120.328 119.950 -0.445 0.000 2.388 196 F HA 0.267 4.794 4.527 0.000 0.000 0.358 196 F C 0.027 175.501 175.800 -0.543 0.000 1.122 196 F CA -1.443 56.131 58.000 -0.709 0.000 1.056 196 F CB 0.605 39.003 39.000 -1.002 0.000 1.155 196 F HN -0.168 nan 8.300 nan 0.000 0.461 197 D N 2.748 122.877 120.400 -0.452 0.000 2.443 197 D HA 0.217 4.857 4.640 0.000 0.000 0.221 197 D C 1.251 177.176 176.300 -0.625 0.000 1.097 197 D CA -0.271 53.449 54.000 -0.468 0.000 0.865 197 D CB 1.485 42.135 40.800 -0.250 0.000 1.034 197 D HN 0.679 nan 8.370 nan 0.000 0.511 198 G N 2.257 110.294 108.800 -1.272 0.000 2.462 198 G HA2 -0.278 3.682 3.960 0.000 0.000 0.220 198 G HA3 -0.278 3.682 3.960 0.000 0.000 0.220 198 G C 1.565 176.258 174.900 -0.346 0.000 1.121 198 G CA 0.840 45.522 45.100 -0.695 0.000 0.758 198 G HN 0.523 nan 8.290 nan 0.000 0.559 199 S N 0.125 115.586 115.700 -0.399 0.000 2.406 199 S HA -0.271 4.199 4.470 0.000 0.000 0.242 199 S C 2.489 177.086 174.600 -0.004 0.000 1.079 199 S CA 1.906 60.086 58.200 -0.034 0.000 1.133 199 S CB -0.584 62.618 63.200 0.003 0.000 1.005 199 S HN 0.344 nan 8.310 nan 0.000 0.443 200 V N 1.540 121.429 119.914 -0.041 0.000 2.255 200 V HA -0.059 4.062 4.120 0.000 0.000 0.243 200 V C 2.168 178.272 176.094 0.017 0.000 1.038 200 V CA 1.465 63.750 62.300 -0.025 0.000 1.008 200 V CB -0.915 30.858 31.823 -0.083 0.000 0.645 200 V HN 0.399 nan 8.190 nan 0.000 0.449 201 L N 0.058 121.283 121.223 0.003 0.000 2.127 201 L HA -0.203 4.137 4.340 0.000 0.000 0.211 201 L C 2.578 179.471 176.870 0.039 0.000 1.089 201 L CA 1.792 56.630 54.840 -0.003 0.000 0.757 201 L CB -0.491 41.512 42.059 -0.093 0.000 0.899 201 L HN 0.433 nan 8.230 nan 0.000 0.434 202 A N -0.480 122.377 122.820 0.060 0.000 1.854 202 A HA -0.100 4.220 4.320 0.000 0.000 0.214 202 A C 2.435 180.066 177.584 0.079 0.000 1.192 202 A CA 1.456 53.545 52.037 0.087 0.000 0.611 202 A CB -0.751 18.336 19.000 0.146 0.000 0.832 202 A HN 0.492 nan 8.150 nan 0.000 0.442 203 A N -1.209 121.664 122.820 0.089 0.000 1.845 203 A HA 0.024 4.345 4.320 0.000 0.000 0.215 203 A C 1.267 178.909 177.584 0.096 0.000 1.195 203 A CA 1.172 53.262 52.037 0.088 0.000 0.616 203 A CB -0.871 18.181 19.000 0.086 0.000 0.832 203 A HN 0.636 nan 8.150 nan 0.000 0.443 204 Y N -0.156 120.138 120.300 -0.010 0.000 2.411 204 Y HA 0.369 4.919 4.550 0.000 0.000 0.333 204 Y C 1.446 177.329 175.900 -0.029 0.000 1.186 204 Y CA 0.479 58.567 58.100 -0.020 0.000 1.381 204 Y CB 0.557 38.998 38.460 -0.031 0.000 1.273 204 Y HN 0.709 nan 8.280 nan 0.000 0.546 205 G N 3.954 112.393 108.800 -0.601 0.000 2.328 205 G HA2 -0.431 3.529 3.960 0.000 0.000 0.256 205 G HA3 -0.431 3.529 3.960 0.000 0.000 0.256 205 G C 0.482 175.275 174.900 -0.179 0.000 1.014 205 G CA 0.440 45.300 45.100 -0.399 0.000 0.620 205 G HN 1.360 nan 8.290 nan 0.000 0.530 206 N N -1.251 117.390 118.700 -0.098 0.000 2.663 206 N HA -0.065 4.675 4.740 0.000 0.000 0.263 206 N C -0.157 175.343 175.510 -0.016 0.000 1.109 206 N CA 0.565 53.591 53.050 -0.039 0.000 0.701 206 N CB -1.017 37.438 38.487 -0.052 0.000 0.879 206 N HN 1.776 nan 8.380 nan 0.000 0.550 207 V N -0.707 119.214 119.914 0.012 0.000 3.114 207 V HA 0.630 4.750 4.120 0.000 0.000 0.308 207 V C 0.409 176.551 176.094 0.080 0.000 1.168 207 V CA -1.098 61.221 62.300 0.031 0.000 1.015 207 V CB 1.847 33.671 31.823 0.000 0.000 1.050 207 V HN 0.144 nan 8.190 nan 0.000 0.433 208 I N 2.458 123.089 120.570 0.102 0.000 2.379 208 I HA 0.298 4.468 4.170 0.000 0.000 0.290 208 I C -0.189 176.031 176.117 0.172 0.000 1.063 208 I CA -0.237 61.153 61.300 0.149 0.000 1.351 208 I CB 1.279 39.368 38.000 0.148 0.000 1.410 208 I HN 0.445 nan 8.210 nan 0.000 0.505 209 V N 7.654 127.709 119.914 0.236 0.000 2.509 209 V HA 0.558 4.679 4.120 0.000 0.000 0.284 209 V C 0.462 176.794 176.094 0.397 0.000 1.047 209 V CA -0.531 61.955 62.300 0.310 0.000 0.952 209 V CB 1.478 33.483 31.823 0.304 0.000 0.988 209 V HN 0.510 nan 8.190 nan 0.000 0.469 210 V N 3.475 123.617 119.914 0.379 0.000 2.656 210 V HA 0.911 5.031 4.120 0.000 0.000 0.307 210 V C 0.038 176.356 176.094 0.374 0.000 1.051 210 V CA -0.526 61.971 62.300 0.328 0.000 0.893 210 V CB 2.394 34.329 31.823 0.187 0.000 0.999 210 V HN 0.858 nan 8.190 nan 0.000 0.426 211 T N 2.528 117.309 114.554 0.378 0.000 2.885 211 T HA 0.866 5.217 4.350 0.000 0.000 0.285 211 T C -0.473 174.376 174.700 0.249 0.000 1.019 211 T CA -0.322 61.994 62.100 0.361 0.000 1.010 211 T CB 1.558 70.686 68.868 0.433 0.000 1.022 211 T HN 1.877 nan 8.240 nan 0.000 0.466 212 L N 0.301 121.678 121.223 0.256 0.000 2.350 212 L HA 0.749 5.089 4.340 0.000 0.000 0.260 212 L C -1.080 176.013 176.870 0.371 0.000 1.015 212 L CA -1.272 53.704 54.840 0.227 0.000 0.821 212 L CB 2.244 44.343 42.059 0.067 0.000 1.370 212 L HN 0.725 nan 8.230 nan 0.000 0.416 213 N N 1.089 119.995 118.700 0.342 0.000 2.405 213 N HA 0.445 5.186 4.740 0.000 0.000 0.299 213 N C -1.652 174.050 175.510 0.319 0.000 1.075 213 N CA -0.482 52.752 53.050 0.307 0.000 0.884 213 N CB 1.763 40.340 38.487 0.150 0.000 1.194 213 N HN 0.741 nan 8.380 nan 0.000 0.491 214 Y N -1.723 118.734 120.300 0.261 0.000 2.499 214 Y HA 0.516 5.066 4.550 0.000 0.000 0.347 214 Y C 0.323 176.293 175.900 0.116 0.000 0.987 214 Y CA -1.548 56.655 58.100 0.172 0.000 1.044 214 Y CB 0.813 39.333 38.460 0.100 0.000 1.245 214 Y HN 0.376 nan 8.280 nan 0.000 0.461 215 R N 2.289 122.891 120.500 0.169 0.000 2.494 215 R HA 0.139 4.480 4.340 0.000 0.000 0.291 215 R C -1.005 175.367 176.300 0.121 0.000 0.953 215 R CA 0.447 56.581 56.100 0.056 0.000 1.098 215 R CB -0.021 30.264 30.300 -0.025 0.000 0.911 215 R HN 0.835 nan 8.270 nan 0.000 0.407 216 L N 3.438 124.730 121.223 0.116 0.000 2.358 216 L HA 0.382 4.722 4.340 0.000 0.000 0.268 216 L C 1.841 178.914 176.870 0.339 0.000 1.032 216 L CA -0.114 54.889 54.840 0.270 0.000 0.805 216 L CB 1.305 43.456 42.059 0.154 0.000 1.253 216 L HN 0.938 nan 8.230 nan 0.000 0.452 217 G N 0.661 109.781 108.800 0.534 0.000 3.376 217 G HA2 -0.381 3.579 3.960 0.000 0.000 0.286 217 G HA3 -0.381 3.579 3.960 0.000 0.000 0.286 217 G C 1.224 176.291 174.900 0.278 0.000 0.909 217 G CA 1.343 46.712 45.100 0.449 0.000 0.769 217 G HN 0.450 nan 8.290 nan 0.000 1.194 218 V N 0.484 120.392 119.914 -0.011 0.000 2.317 218 V HA -0.214 3.907 4.120 0.000 0.000 0.251 218 V C 2.822 178.962 176.094 0.077 0.000 1.065 218 V CA 2.653 64.824 62.300 -0.215 0.000 1.049 218 V CB -0.469 31.212 31.823 -0.235 0.000 0.651 218 V HN 0.449 nan 8.190 nan 0.000 0.450 219 L N -0.599 120.662 121.223 0.064 0.000 2.416 219 L HA 0.284 4.624 4.340 0.000 0.000 0.216 219 L C 2.103 178.964 176.870 -0.015 0.000 1.098 219 L CA 1.153 55.959 54.840 -0.058 0.000 0.840 219 L CB -0.447 41.501 42.059 -0.185 0.000 0.981 219 L HN 0.335 nan 8.230 nan 0.000 0.462 220 G N -2.102 106.746 108.800 0.080 0.000 3.192 220 G HA2 0.139 4.100 3.960 0.000 0.000 0.239 220 G HA3 0.139 4.100 3.960 0.000 0.000 0.239 220 G C 0.599 175.353 174.900 -0.243 0.000 1.084 220 G CA 0.062 45.121 45.100 -0.069 0.000 0.784 220 G HN 0.231 nan 8.290 nan 0.000 0.540 221 F N -0.597 119.574 119.950 0.369 0.000 2.975 221 F HA 0.405 4.932 4.527 0.000 0.000 0.366 221 F C 0.586 176.553 175.800 0.279 0.000 1.071 221 F CA -0.970 57.167 58.000 0.229 0.000 1.102 221 F CB 0.393 39.469 39.000 0.127 0.000 1.176 221 F HN -0.064 nan 8.300 nan 0.000 0.545 222 L N 1.262 122.828 121.223 0.572 0.000 2.499 222 L HA 0.315 4.656 4.340 0.000 0.000 0.273 222 L C 0.302 177.350 176.870 0.297 0.000 1.195 222 L CA 0.521 55.643 54.840 0.470 0.000 0.882 222 L CB 0.594 42.845 42.059 0.321 0.000 1.133 222 L HN 0.096 nan 8.230 nan 0.000 0.483 223 S N 1.784 117.592 115.700 0.180 0.000 2.570 223 S HA 0.510 4.980 4.470 0.000 0.000 0.286 223 S C 0.574 175.198 174.600 0.040 0.000 1.099 223 S CA -0.290 57.956 58.200 0.077 0.000 0.913 223 S CB 1.971 65.185 63.200 0.023 0.000 1.085 223 S HN 0.769 nan 8.310 nan 0.000 0.480 224 T N 1.358 115.922 114.554 0.018 0.000 3.040 224 T HA 0.312 4.662 4.350 0.000 0.000 0.252 224 T C 1.421 176.123 174.700 0.004 0.000 1.064 224 T CA 0.460 62.563 62.100 0.005 0.000 1.110 224 T CB -0.262 68.606 68.868 -0.000 0.000 0.921 224 T HN 1.482 nan 8.240 nan 0.000 0.480 225 G N 1.864 110.665 108.800 0.002 0.000 2.159 225 G HA2 -0.186 3.774 3.960 0.000 0.000 0.256 225 G HA3 -0.186 3.774 3.960 0.000 0.000 0.256 225 G C -0.507 174.394 174.900 0.002 0.000 0.977 225 G CA 0.195 45.294 45.100 -0.001 0.000 0.652 225 G HN 0.548 nan 8.290 nan 0.000 0.531 226 D N -1.162 119.242 120.400 0.006 0.000 2.467 226 D HA 0.561 5.202 4.640 0.000 0.000 0.245 226 D C 1.095 177.405 176.300 0.017 0.000 1.038 226 D CA -0.666 53.340 54.000 0.010 0.000 1.038 226 D CB 0.519 41.325 40.800 0.010 0.000 1.278 226 D HN 0.097 nan 8.370 nan 0.000 0.564 227 Q N 0.085 119.897 119.800 0.020 0.000 2.491 227 Q HA 0.145 4.486 4.340 0.000 0.000 0.214 227 Q C 0.880 176.905 176.000 0.041 0.000 0.970 227 Q CA 0.078 55.898 55.803 0.029 0.000 0.960 227 Q CB 0.128 28.881 28.738 0.025 0.000 0.996 227 Q HN 0.451 nan 8.270 nan 0.000 0.524 228 A N 0.877 123.719 122.820 0.038 0.000 1.850 228 A HA 0.382 4.702 4.320 0.000 0.000 0.212 228 A C 1.061 178.690 177.584 0.075 0.000 1.208 228 A CA 0.913 52.975 52.037 0.042 0.000 0.609 228 A CB 0.236 19.247 19.000 0.019 0.000 0.860 228 A HN 0.275 nan 8.150 nan 0.000 0.448 229 A N -0.530 122.338 122.820 0.080 0.000 2.522 229 A HA 0.559 4.879 4.320 0.000 0.000 0.285 229 A C 0.383 178.036 177.584 0.114 0.000 1.198 229 A CA -0.625 51.519 52.037 0.177 0.000 0.742 229 A CB 0.763 19.835 19.000 0.119 0.000 1.176 229 A HN 0.123 nan 8.150 nan 0.000 0.444 230 K N 1.448 121.888 120.400 0.068 0.000 2.147 230 K HA 0.136 4.456 4.320 0.000 0.000 0.205 230 K C 1.292 177.762 176.600 -0.217 0.000 1.049 230 K CA 1.388 57.628 56.287 -0.079 0.000 0.936 230 K CB -0.470 31.976 32.500 -0.090 0.000 0.722 230 K HN 1.726 nan 8.250 nan 0.000 0.446 231 G N 0.519 109.014 108.800 -0.509 0.000 2.512 231 G HA2 -0.286 3.674 3.960 0.000 0.000 0.210 231 G HA3 -0.286 3.674 3.960 0.000 0.000 0.210 231 G C -0.291 174.094 174.900 -0.859 0.000 1.295 231 G CA -0.085 44.671 45.100 -0.573 0.000 0.934 231 G HN 0.237 nan 8.290 nan 0.000 0.554 232 N N -1.956 116.521 118.700 -0.372 0.000 2.732 232 N HA -0.311 4.429 4.740 0.000 0.000 0.250 232 N C 1.126 176.408 175.510 -0.380 0.000 1.097 232 N CA 1.708 54.597 53.050 -0.267 0.000 0.812 232 N CB -1.057 37.285 38.487 -0.241 0.000 1.148 232 N HN 0.681 nan 8.380 nan 0.000 0.572 233 Y N 0.003 120.169 120.300 -0.223 0.000 2.193 233 Y HA -0.140 4.410 4.550 0.000 0.000 0.285 233 Y C 2.652 178.365 175.900 -0.312 0.000 1.166 233 Y CA 1.577 59.550 58.100 -0.213 0.000 1.181 233 Y CB -0.885 37.486 38.460 -0.148 0.000 0.976 233 Y HN 0.297 nan 8.280 nan 0.000 0.520 234 G N 0.011 108.469 108.800 -0.569 0.000 2.418 234 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 234 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 234 G C 1.661 176.416 174.900 -0.241 0.000 1.158 234 G CA 1.077 45.867 45.100 -0.516 0.000 0.771 234 G HN 0.393 nan 8.290 nan 0.000 0.545 235 L N -0.201 120.908 121.223 -0.189 0.000 2.201 235 L HA 0.074 4.415 4.340 0.000 0.000 0.212 235 L C 2.769 179.596 176.870 -0.071 0.000 1.105 235 L CA 0.287 55.073 54.840 -0.091 0.000 0.775 235 L CB -0.253 41.788 42.059 -0.030 0.000 0.913 235 L HN 0.170 nan 8.230 nan 0.000 0.440 236 L N -0.658 120.526 121.223 -0.066 0.000 2.217 236 L HA -0.150 4.190 4.340 0.000 0.000 0.211 236 L C 2.053 178.979 176.870 0.092 0.000 1.107 236 L CA 0.729 55.578 54.840 0.016 0.000 0.783 236 L CB -0.364 41.717 42.059 0.036 0.000 0.919 236 L HN 0.271 nan 8.230 nan 0.000 0.442 237 D N -0.389 120.067 120.400 0.093 0.000 2.183 237 D HA -0.173 4.468 4.640 0.000 0.000 0.203 237 D C 2.161 178.597 176.300 0.225 0.000 0.969 237 D CA 1.022 55.156 54.000 0.222 0.000 0.842 237 D CB 0.023 40.970 40.800 0.244 0.000 0.957 237 D HN 0.415 nan 8.370 nan 0.000 0.484 238 Q N 0.039 119.867 119.800 0.047 0.000 2.083 238 Q HA -0.089 4.251 4.340 0.000 0.000 0.198 238 Q C 2.435 178.442 176.000 0.010 0.000 0.969 238 Q CA 0.877 56.648 55.803 -0.053 0.000 0.838 238 Q CB -0.098 28.526 28.738 -0.189 0.000 0.900 238 Q HN 0.406 nan 8.270 nan 0.000 0.436 239 I N -1.483 119.133 120.570 0.078 0.000 2.315 239 I HA -0.213 3.957 4.170 0.000 0.000 0.248 239 I C 2.201 178.416 176.117 0.163 0.000 1.117 239 I CA 1.344 62.731 61.300 0.145 0.000 1.404 239 I CB -0.482 37.626 38.000 0.180 0.000 1.071 239 I HN 0.000 nan 8.210 nan 0.000 0.419 240 Q N 1.442 121.355 119.800 0.189 0.000 2.084 240 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 240 Q C 2.446 178.613 176.000 0.278 0.000 0.978 240 Q CA 2.150 58.112 55.803 0.264 0.000 0.844 240 Q CB -0.410 28.524 28.738 0.327 0.000 0.898 240 Q HN 0.702 nan 8.270 nan 0.000 0.426 241 A N 0.377 123.205 122.820 0.013 0.000 1.902 241 A HA -0.160 4.160 4.320 0.000 0.000 0.217 241 A C 2.045 179.655 177.584 0.043 0.000 1.181 241 A CA 1.054 52.885 52.037 -0.343 0.000 0.623 241 A CB -0.497 17.923 19.000 -0.967 0.000 0.818 241 A HN 0.311 nan 8.150 nan 0.000 0.443 242 L N -0.357 120.909 121.223 0.072 0.000 2.046 242 L HA -0.105 4.236 4.340 0.000 0.000 0.208 242 L C 2.507 179.492 176.870 0.192 0.000 1.077 242 L CA 2.074 57.005 54.840 0.151 0.000 0.747 242 L CB -1.014 41.157 42.059 0.187 0.000 0.896 242 L HN 0.480 nan 8.230 nan 0.000 0.432 243 R N -1.921 118.701 120.500 0.204 0.000 2.096 243 R HA -0.247 4.093 4.340 0.000 0.000 0.235 243 R C 2.350 178.795 176.300 0.242 0.000 1.127 243 R CA 1.679 57.898 56.100 0.198 0.000 0.968 243 R CB -0.464 29.954 30.300 0.197 0.000 0.861 243 R HN 0.437 nan 8.270 nan 0.000 0.440 244 W N 0.475 121.860 121.300 0.142 0.000 2.355 244 W HA -0.210 4.450 4.660 0.000 0.000 0.309 244 W C 1.577 178.195 176.519 0.165 0.000 1.206 244 W CA 0.841 58.297 57.345 0.184 0.000 1.284 244 W CB -0.296 29.270 29.460 0.176 0.000 1.145 244 W HN 0.072 nan 8.180 nan 0.000 0.502 245 L N 0.516 122.040 121.223 0.502 0.000 2.042 245 L HA -0.239 4.101 4.340 0.000 0.000 0.210 245 L C 2.795 179.732 176.870 0.111 0.000 1.076 245 L CA 2.365 57.410 54.840 0.341 0.000 0.749 245 L CB -1.788 40.436 42.059 0.274 0.000 0.893 245 L HN 0.118 nan 8.230 nan 0.000 0.432 246 S N -0.684 115.074 115.700 0.097 0.000 2.353 246 S HA -0.231 4.240 4.470 0.000 0.000 0.222 246 S C 1.856 176.436 174.600 -0.034 0.000 1.035 246 S CA 1.831 60.054 58.200 0.039 0.000 1.025 246 S CB -0.077 63.155 63.200 0.054 0.000 0.902 246 S HN 0.589 nan 8.310 nan 0.000 0.440 247 E N 0.209 120.366 120.200 -0.072 0.000 2.216 247 E HA 0.031 4.381 4.350 0.000 0.000 0.192 247 E C 1.568 178.032 176.600 -0.227 0.000 0.988 247 E CA 1.132 57.452 56.400 -0.133 0.000 0.834 247 E CB -0.055 29.581 29.700 -0.106 0.000 0.772 247 E HN 0.645 nan 8.360 nan 0.000 0.479 248 N N -0.424 118.077 118.700 -0.333 0.000 2.273 248 N HA 0.078 4.818 4.740 0.000 0.000 0.192 248 N C 1.266 176.766 175.510 -0.017 0.000 1.132 248 N CA -0.106 52.745 53.050 -0.332 0.000 0.887 248 N CB 0.416 38.247 38.487 -1.092 0.000 1.048 248 N HN -0.039 nan 8.380 nan 0.000 0.490 249 I N 1.467 122.051 120.570 0.023 0.000 2.493 249 I HA -0.052 4.119 4.170 0.000 0.000 0.254 249 I C 1.976 178.226 176.117 0.222 0.000 1.160 249 I CA 0.504 61.949 61.300 0.241 0.000 1.445 249 I CB -0.166 37.927 38.000 0.155 0.000 1.086 249 I HN 0.127 nan 8.210 nan 0.000 0.433 250 A N -0.694 122.110 122.820 -0.027 0.000 2.067 250 A HA -0.211 4.110 4.320 0.000 0.000 0.219 250 A C 2.053 179.560 177.584 -0.129 0.000 1.158 250 A CA 1.393 53.369 52.037 -0.103 0.000 0.661 250 A CB -0.933 17.942 19.000 -0.208 0.000 0.801 250 A HN 0.551 nan 8.150 nan 0.000 0.452 251 H N -1.421 117.618 119.070 -0.051 0.000 2.457 251 H HA -0.053 4.503 4.556 0.000 0.000 0.294 251 H C 0.800 175.938 175.328 -0.315 0.000 1.064 251 H CA 1.175 57.069 56.048 -0.257 0.000 1.330 251 H CB -0.248 29.227 29.762 -0.479 0.000 1.395 251 H HN 0.638 nan 8.280 nan 0.000 0.541 252 F N -0.221 119.791 119.950 0.103 0.000 2.692 252 F HA 0.304 4.831 4.527 0.000 0.000 0.303 252 F C 1.606 177.477 175.800 0.119 0.000 1.114 252 F CA 0.452 58.524 58.000 0.121 0.000 1.361 252 F CB 0.256 39.341 39.000 0.141 0.000 1.063 252 F HN 0.155 nan 8.300 nan 0.000 0.550 253 G N 0.450 109.372 108.800 0.202 0.000 2.149 253 G HA2 -0.145 3.815 3.960 0.000 0.000 0.235 253 G HA3 -0.145 3.815 3.960 0.000 0.000 0.235 253 G C 0.575 175.553 174.900 0.130 0.000 1.018 253 G CA -0.266 44.916 45.100 0.136 0.000 0.728 253 G HN 0.763 nan 8.290 nan 0.000 0.508 254 G N -0.850 108.038 108.800 0.147 0.000 2.528 254 G HA2 0.515 4.475 3.960 0.000 0.000 0.289 254 G HA3 0.515 4.475 3.960 0.000 0.000 0.289 254 G C -0.675 174.256 174.900 0.052 0.000 1.192 254 G CA 0.256 45.424 45.100 0.113 0.000 0.921 254 G HN 0.351 nan 8.290 nan 0.000 0.512 255 D N -0.097 120.327 120.400 0.041 0.000 2.420 255 D HA 0.346 4.987 4.640 0.000 0.000 0.255 255 D C -1.323 174.986 176.300 0.015 0.000 1.185 255 D CA -2.029 51.980 54.000 0.015 0.000 0.904 255 D CB 1.931 42.735 40.800 0.008 0.000 1.102 255 D HN 0.036 nan 8.370 nan 0.000 0.534 256 P HA -0.109 nan 4.420 nan 0.000 0.225 256 P C 0.702 178.007 177.300 0.008 0.000 1.148 256 P CA 0.660 63.767 63.100 0.012 0.000 0.779 256 P CB 0.541 32.235 31.700 -0.009 0.000 0.780 257 E N -0.080 120.118 120.200 -0.002 0.000 2.418 257 E HA -0.043 4.308 4.350 0.000 0.000 0.197 257 E C 1.094 177.688 176.600 -0.010 0.000 1.026 257 E CA 0.571 56.968 56.400 -0.006 0.000 0.862 257 E CB 0.032 29.726 29.700 -0.010 0.000 0.799 257 E HN 0.383 nan 8.360 nan 0.000 0.518 258 R N 0.737 121.231 120.500 -0.008 0.000 2.661 258 R HA 0.185 4.525 4.340 0.000 0.000 0.429 258 R C -0.082 176.209 176.300 -0.017 0.000 1.044 258 R CA -0.277 55.807 56.100 -0.027 0.000 1.065 258 R CB 0.245 30.522 30.300 -0.039 0.000 1.377 258 R HN 0.013 nan 8.270 nan 0.000 0.600 259 I N -0.940 119.640 120.570 0.016 0.000 2.471 259 I HA 0.249 4.419 4.170 0.000 0.000 0.286 259 I C -0.308 175.821 176.117 0.019 0.000 1.079 259 I CA 0.690 62.014 61.300 0.040 0.000 1.398 259 I CB 1.390 39.441 38.000 0.085 0.000 1.403 259 I HN -0.098 nan 8.210 nan 0.000 0.530 260 T N 8.070 122.619 114.554 -0.008 0.000 2.888 260 T HA 0.555 4.905 4.350 0.000 0.000 0.284 260 T C -0.362 174.329 174.700 -0.016 0.000 1.017 260 T CA -0.480 61.593 62.100 -0.046 0.000 1.022 260 T CB 1.516 70.339 68.868 -0.075 0.000 1.013 260 T HN 0.708 nan 8.240 nan 0.000 0.465 261 I N 3.832 124.334 120.570 -0.113 0.000 2.447 261 I HA 0.673 4.843 4.170 0.000 0.000 0.287 261 I C -1.745 174.395 176.117 0.038 0.000 1.023 261 I CA -1.222 59.989 61.300 -0.148 0.000 1.083 261 I CB 0.663 38.283 38.000 -0.634 0.000 1.245 261 I HN 0.660 nan 8.210 nan 0.000 0.434 262 F N 6.099 126.004 119.950 -0.075 0.000 2.576 262 F HA 1.012 5.539 4.527 0.001 0.000 0.313 262 F C -0.525 175.271 175.800 -0.006 0.000 1.078 262 F CA -1.076 56.935 58.000 0.017 0.000 0.921 262 F CB 1.552 40.640 39.000 0.147 0.000 1.232 262 F HN 0.538 nan 8.300 nan 0.000 0.459 263 G N 0.679 109.408 108.800 -0.119 0.000 2.632 263 G HA2 0.528 4.488 3.960 0.000 0.000 0.292 263 G HA3 0.528 4.488 3.960 0.000 0.000 0.292 263 G C -2.234 172.638 174.900 -0.048 0.000 1.465 263 G CA -0.668 44.211 45.100 -0.369 0.000 0.824 263 G HN 0.957 nan 8.290 nan 0.000 0.509 264 S N -0.743 114.942 115.700 -0.026 0.000 2.570 264 S HA 0.861 5.331 4.470 0.000 0.000 0.286 264 S C 0.803 175.456 174.600 0.088 0.000 1.099 264 S CA 1.195 59.463 58.200 0.112 0.000 0.913 264 S CB 1.219 64.561 63.200 0.236 0.000 1.085 264 S HN 2.751 nan 8.310 nan 0.000 0.480 265 G N 2.697 111.594 108.800 0.160 0.000 2.531 265 G HA2 -0.149 3.811 3.960 0.000 0.000 0.274 265 G HA3 -0.149 3.811 3.960 0.000 0.000 0.274 265 G C 1.118 176.047 174.900 0.048 0.000 1.159 265 G CA 0.457 45.710 45.100 0.255 0.000 0.969 265 G HN 1.773 nan 8.290 nan 0.000 0.554 266 A N -0.214 122.503 122.820 -0.171 0.000 1.978 266 A HA 0.240 4.560 4.320 0.000 0.000 0.220 266 A C 2.995 180.420 177.584 -0.264 0.000 1.170 266 A CA 2.863 54.670 52.037 -0.384 0.000 0.636 266 A CB -1.209 17.252 19.000 -0.897 0.000 0.810 266 A HN 2.307 nan 8.150 nan 0.000 0.448 267 G N -0.472 108.188 108.800 -0.232 0.000 2.450 267 G HA2 -0.039 3.921 3.960 0.000 0.000 0.220 267 G HA3 -0.039 3.921 3.960 0.000 0.000 0.220 267 G C 1.634 176.420 174.900 -0.190 0.000 1.130 267 G CA 1.367 46.306 45.100 -0.268 0.000 0.760 267 G HN 0.828 nan 8.290 nan 0.000 0.557 268 A N 0.553 123.319 122.820 -0.089 0.000 2.015 268 A HA 0.120 4.440 4.320 0.000 0.000 0.219 268 A C 2.676 180.258 177.584 -0.004 0.000 1.163 268 A CA 1.984 54.006 52.037 -0.024 0.000 0.646 268 A CB -0.338 18.697 19.000 0.058 0.000 0.806 268 A HN 0.311 nan 8.150 nan 0.000 0.448 269 S N -0.452 115.258 115.700 0.017 0.000 2.345 269 S HA -0.197 4.273 4.470 0.000 0.000 0.220 269 S C 1.977 176.600 174.600 0.038 0.000 1.031 269 S CA 1.434 59.670 58.200 0.060 0.000 0.996 269 S CB -0.794 62.492 63.200 0.143 0.000 0.882 269 S HN 0.737 nan 8.310 nan 0.000 0.445 270 C N 1.436 120.747 119.300 0.018 0.000 2.398 270 C HA -0.057 4.404 4.460 0.000 0.000 0.276 270 C C 2.676 177.635 174.990 -0.050 0.000 1.222 270 C CA 0.433 59.441 59.018 -0.018 0.000 1.746 270 C CB -1.489 26.190 27.740 -0.102 0.000 2.039 270 C HN 0.399 nan 8.230 nan 0.000 0.470 271 V N 1.775 121.629 119.914 -0.099 0.000 2.250 271 V HA -0.293 3.827 4.120 0.000 0.000 0.250 271 V C 2.393 178.471 176.094 -0.027 0.000 1.060 271 V CA 2.318 64.549 62.300 -0.116 0.000 1.030 271 V CB -0.726 31.022 31.823 -0.126 0.000 0.643 271 V HN 0.566 nan 8.190 nan 0.000 0.445 272 N N -0.246 118.445 118.700 -0.014 0.000 2.104 272 N HA -0.130 4.611 4.740 0.000 0.000 0.190 272 N C 1.804 177.350 175.510 0.060 0.000 1.024 272 N CA 1.559 54.613 53.050 0.006 0.000 0.853 272 N CB -0.248 38.238 38.487 -0.002 0.000 1.008 272 N HN 0.408 nan 8.380 nan 0.000 0.424 273 L N 0.428 121.687 121.223 0.059 0.000 1.976 273 L HA -0.171 4.169 4.340 0.000 0.000 0.209 273 L C 2.159 179.108 176.870 0.132 0.000 1.071 273 L CA 0.695 55.579 54.840 0.074 0.000 0.746 273 L CB -0.548 41.535 42.059 0.040 0.000 0.890 273 L HN 0.082 nan 8.230 nan 0.000 0.432 274 L N -0.108 121.210 121.223 0.158 0.000 2.089 274 L HA -0.276 4.065 4.340 0.000 0.000 0.213 274 L C 2.383 179.512 176.870 0.433 0.000 1.079 274 L CA 1.823 56.835 54.840 0.286 0.000 0.758 274 L CB -0.760 41.500 42.059 0.336 0.000 0.891 274 L HN 0.168 nan 8.230 nan 0.000 0.433 275 I N -0.924 119.924 120.570 0.464 0.000 2.151 275 I HA -0.341 3.829 4.170 0.000 0.000 0.243 275 I C 1.980 178.291 176.117 0.323 0.000 1.080 275 I CA 1.424 63.049 61.300 0.541 0.000 1.339 275 I CB -0.326 37.901 38.000 0.379 0.000 1.039 275 I HN 0.209 nan 8.210 nan 0.000 0.409 276 L N -0.755 120.604 121.223 0.226 0.000 2.599 276 L HA 0.062 4.403 4.340 0.000 0.000 0.230 276 L C 1.169 178.172 176.870 0.221 0.000 1.141 276 L CA -0.071 54.888 54.840 0.198 0.000 0.877 276 L CB -0.530 41.616 42.059 0.144 0.000 1.009 276 L HN 0.075 nan 8.230 nan 0.000 0.447 277 S N -1.402 114.448 115.700 0.251 0.000 2.617 277 S HA 0.259 4.730 4.470 0.000 0.000 0.283 277 S C 1.002 175.835 174.600 0.389 0.000 1.189 277 S CA -0.608 57.791 58.200 0.332 0.000 1.036 277 S CB 0.887 64.218 63.200 0.219 0.000 1.014 277 S HN 0.232 nan 8.310 nan 0.000 0.522 278 H N 3.073 122.245 119.070 0.170 0.000 2.268 278 H HA 0.034 4.590 4.556 0.000 0.000 0.304 278 H C 1.868 177.281 175.328 0.143 0.000 1.064 278 H CA 2.207 58.331 56.048 0.127 0.000 1.316 278 H CB -1.116 28.705 29.762 0.098 0.000 1.386 278 H HN 0.755 nan 8.280 nan 0.000 0.496 279 H N 0.551 119.729 119.070 0.180 0.000 2.383 279 H HA -0.160 4.396 4.556 0.000 0.000 0.286 279 H C 1.274 176.650 175.328 0.080 0.000 1.126 279 H CA 1.675 57.784 56.048 0.102 0.000 1.182 279 H CB -0.249 29.559 29.762 0.077 0.000 1.352 279 H HN 0.408 nan 8.280 nan 0.000 0.480 280 S N 0.934 116.754 115.700 0.199 0.000 2.763 280 S HA 0.038 4.508 4.470 0.000 0.000 0.237 280 S C 1.310 175.838 174.600 -0.120 0.000 0.966 280 S CA -0.275 57.938 58.200 0.022 0.000 1.017 280 S CB 0.502 63.704 63.200 0.003 0.000 0.780 280 S HN 0.256 nan 8.310 nan 0.000 0.476 281 E N 2.618 122.819 120.200 0.002 0.000 2.048 281 E HA -0.143 4.207 4.350 0.000 0.000 0.202 281 E C 1.468 178.056 176.600 -0.021 0.000 1.021 281 E CA 1.703 58.107 56.400 0.007 0.000 0.825 281 E CB -0.522 29.190 29.700 0.020 0.000 0.756 281 E HN 0.712 nan 8.360 nan 0.000 0.454 282 G N -0.946 107.833 108.800 -0.035 0.000 4.100 282 G HA2 0.290 4.250 3.960 0.000 0.000 0.294 282 G HA3 0.290 4.250 3.960 0.000 0.000 0.294 282 G C 0.855 175.730 174.900 -0.041 0.000 1.040 282 G CA -0.243 44.840 45.100 -0.029 0.000 0.829 282 G HN -0.002 nan 8.290 nan 0.000 0.505 283 L N 0.059 121.230 121.223 -0.088 0.000 2.189 283 L HA 0.432 4.772 4.340 0.000 0.000 0.199 283 L C 0.852 177.743 176.870 0.034 0.000 1.074 283 L CA 0.923 55.757 54.840 -0.009 0.000 0.783 283 L CB -0.467 41.623 42.059 0.052 0.000 0.955 283 L HN 0.395 nan 8.230 nan 0.000 0.460 284 F N -2.243 117.650 119.950 -0.096 0.000 2.631 284 F HA 0.552 5.079 4.527 0.000 0.000 0.328 284 F C 0.729 176.323 175.800 -0.345 0.000 1.067 284 F CA -0.802 57.085 58.000 -0.187 0.000 0.969 284 F CB 0.860 39.747 39.000 -0.189 0.000 1.332 284 F HN -0.076 nan 8.300 nan 0.000 0.490 285 Q N 0.258 120.045 119.800 -0.022 0.000 2.384 285 Q HA 0.349 4.689 4.340 0.000 0.000 0.264 285 Q C -0.692 175.271 176.000 -0.062 0.000 0.825 285 Q CA 0.198 55.924 55.803 -0.128 0.000 0.984 285 Q CB 0.791 29.515 28.738 -0.023 0.000 1.183 285 Q HN 0.772 nan 8.270 nan 0.000 0.537 286 K N 0.804 121.185 120.400 -0.030 0.000 2.267 286 K HA 0.830 5.150 4.320 0.000 0.000 0.246 286 K C -1.258 175.349 176.600 0.012 0.000 0.954 286 K CA -0.429 55.820 56.287 -0.063 0.000 0.824 286 K CB 2.422 34.672 32.500 -0.416 0.000 1.167 286 K HN 0.190 nan 8.250 nan 0.000 0.431 287 A N 2.155 125.079 122.820 0.173 0.000 2.455 287 A HA 0.653 4.974 4.320 0.000 0.000 0.300 287 A C -1.248 176.432 177.584 0.160 0.000 1.040 287 A CA -0.714 51.377 52.037 0.091 0.000 0.697 287 A CB 0.617 19.628 19.000 0.019 0.000 1.265 287 A HN 0.676 nan 8.150 nan 0.000 0.407 288 I N 1.995 122.610 120.570 0.075 0.000 2.382 288 I HA 0.551 4.722 4.170 0.000 0.000 0.286 288 I C 0.415 176.549 176.117 0.028 0.000 1.002 288 I CA -0.320 60.956 61.300 -0.039 0.000 1.135 288 I CB 1.976 39.913 38.000 -0.104 0.000 1.288 288 I HN 0.714 nan 8.210 nan 0.000 0.448 289 A N 6.494 129.297 122.820 -0.027 0.000 2.267 289 A HA 0.607 4.928 4.320 0.000 0.000 0.315 289 A C -0.510 177.106 177.584 0.053 0.000 1.297 289 A CA -0.506 51.530 52.037 -0.001 0.000 0.865 289 A CB 0.441 19.404 19.000 -0.060 0.000 1.165 289 A HN 0.718 nan 8.150 nan 0.000 0.513 290 Q N 1.809 121.698 119.800 0.147 0.000 2.372 290 Q HA 0.468 4.809 4.340 0.000 0.000 0.259 290 Q C -0.201 175.878 176.000 0.132 0.000 0.993 290 Q CA -0.523 55.413 55.803 0.223 0.000 0.854 290 Q CB 1.232 30.177 28.738 0.345 0.000 1.231 290 Q HN 0.818 nan 8.270 nan 0.000 0.462 291 S N 1.212 116.958 115.700 0.077 0.000 3.628 291 S HA -0.138 4.332 4.470 0.000 0.000 0.373 291 S C -0.012 174.823 174.600 0.392 0.000 0.968 291 S CA 0.517 58.807 58.200 0.150 0.000 1.215 291 S CB -1.158 62.005 63.200 -0.062 0.000 0.912 291 S HN 0.988 nan 8.310 nan 0.000 0.495 292 G N -0.635 108.332 108.800 0.278 0.000 2.633 292 G HA2 0.585 4.546 3.960 0.000 0.000 0.299 292 G HA3 0.585 4.546 3.960 0.000 0.000 0.299 292 G C -0.939 174.032 174.900 0.117 0.000 1.501 292 G CA 0.251 45.503 45.100 0.254 0.000 0.887 292 G HN 0.678 nan 8.290 nan 0.000 0.561 293 T N -1.203 113.409 114.554 0.097 0.000 2.716 293 T HA 0.710 5.060 4.350 0.000 0.000 0.286 293 T C 1.013 175.737 174.700 0.041 0.000 1.052 293 T CA 0.752 62.875 62.100 0.038 0.000 1.024 293 T CB 1.520 70.395 68.868 0.011 0.000 1.349 293 T HN 1.638 nan 8.240 nan 0.000 0.525 294 A N 0.349 123.186 122.820 0.029 0.000 2.308 294 A HA 0.393 4.714 4.320 0.000 0.000 0.217 294 A C 1.487 179.090 177.584 0.032 0.000 1.216 294 A CA 0.364 52.424 52.037 0.038 0.000 0.864 294 A CB -0.740 18.288 19.000 0.046 0.000 0.902 294 A HN 0.878 nan 8.150 nan 0.000 0.499 295 I N -3.579 116.990 120.570 -0.002 0.000 3.707 295 I HA 0.350 4.520 4.170 0.000 0.000 0.330 295 I C -0.325 175.702 176.117 -0.150 0.000 1.572 295 I CA -0.365 60.916 61.300 -0.032 0.000 1.104 295 I CB 0.581 38.568 38.000 -0.022 0.000 1.240 295 I HN -0.116 nan 8.210 nan 0.000 0.475 296 S N 1.308 116.897 115.700 -0.185 0.000 2.592 296 S HA 0.093 4.563 4.470 0.000 0.000 0.271 296 S C 1.454 175.761 174.600 -0.487 0.000 1.326 296 S CA 0.168 58.103 58.200 -0.442 0.000 1.024 296 S CB 1.479 64.450 63.200 -0.381 0.000 0.921 296 S HN 0.629 nan 8.310 nan 0.000 0.527 297 S N 0.544 115.736 115.700 -0.847 0.000 2.584 297 S HA -0.106 4.364 4.470 0.000 0.000 0.240 297 S C 0.588 174.871 174.600 -0.528 0.000 0.975 297 S CA 0.637 58.383 58.200 -0.758 0.000 0.949 297 S CB -0.573 61.989 63.200 -1.062 0.000 0.761 297 S HN 0.935 nan 8.310 nan 0.000 0.536 298 W N -1.163 119.987 121.300 -0.250 0.000 2.252 298 W HA 0.672 5.332 4.660 0.000 0.000 0.338 298 W C 1.053 177.550 176.519 -0.037 0.000 0.914 298 W CA -1.014 56.251 57.345 -0.133 0.000 1.754 298 W CB -0.765 28.608 29.460 -0.146 0.000 1.135 298 W HN 0.012 nan 8.180 nan 0.000 0.531 299 S N 0.736 116.563 115.700 0.213 0.000 2.357 299 S HA 0.029 4.500 4.470 0.000 0.000 0.221 299 S C 0.552 175.180 174.600 0.046 0.000 1.031 299 S CA 1.382 59.691 58.200 0.181 0.000 0.982 299 S CB 0.003 63.251 63.200 0.081 0.000 0.853 299 S HN 0.163 nan 8.310 nan 0.000 0.458 300 V N 1.538 121.411 119.914 -0.069 0.000 2.808 300 V HA 0.581 4.701 4.120 0.000 0.000 0.308 300 V C -1.824 174.032 176.094 -0.398 0.000 1.099 300 V CA -1.094 61.017 62.300 -0.316 0.000 0.920 300 V CB 2.110 33.686 31.823 -0.411 0.000 1.014 300 V HN 0.203 nan 8.190 nan 0.000 0.425 301 N N 4.569 123.016 118.700 -0.421 0.000 2.437 301 N HA 0.361 5.101 4.740 0.000 0.000 0.243 301 N C -0.268 175.052 175.510 -0.316 0.000 1.041 301 N CA -0.065 52.812 53.050 -0.289 0.000 0.940 301 N CB 0.578 38.907 38.487 -0.263 0.000 1.133 301 N HN 0.694 nan 8.380 nan 0.000 0.506 302 Y N 0.888 121.171 120.300 -0.028 0.000 2.490 302 Y HA 0.232 4.783 4.550 0.000 0.000 0.281 302 Y C 0.427 176.319 175.900 -0.013 0.000 1.174 302 Y CA 0.112 58.200 58.100 -0.021 0.000 1.295 302 Y CB 0.534 38.984 38.460 -0.016 0.000 1.062 302 Y HN 0.377 nan 8.280 nan 0.000 0.522 303 Q N 0.527 120.391 119.800 0.108 0.000 3.122 303 Q HA 0.208 4.548 4.340 0.000 0.000 0.282 303 Q C -2.186 173.866 176.000 0.086 0.000 0.947 303 Q CA -1.572 54.281 55.803 0.083 0.000 0.812 303 Q CB 1.203 29.986 28.738 0.075 0.000 1.333 303 Q HN 0.218 nan 8.270 nan 0.000 0.430 304 P HA -0.117 nan 4.420 nan 0.000 0.217 304 P C 1.200 178.503 177.300 0.006 0.000 1.154 304 P CA 0.655 63.749 63.100 -0.009 0.000 0.841 304 P CB 0.382 32.070 31.700 -0.021 0.000 0.788 305 L N 0.188 121.413 121.223 0.003 0.000 2.089 305 L HA -0.187 4.153 4.340 0.000 0.000 0.213 305 L C 2.602 179.455 176.870 -0.028 0.000 1.079 305 L CA 2.105 56.941 54.840 -0.006 0.000 0.758 305 L CB -1.775 40.278 42.059 -0.011 0.000 0.891 305 L HN -0.080 nan 8.230 nan 0.000 0.433 306 K N -1.019 119.343 120.400 -0.064 0.000 2.001 306 K HA -0.139 4.181 4.320 0.000 0.000 0.208 306 K C 2.255 178.719 176.600 -0.227 0.000 1.048 306 K CA 1.778 57.961 56.287 -0.174 0.000 0.932 306 K CB -0.441 31.891 32.500 -0.280 0.000 0.715 306 K HN 0.244 nan 8.250 nan 0.000 0.437 307 Y N 1.222 121.419 120.300 -0.172 0.000 2.373 307 Y HA -0.120 4.430 4.550 0.001 0.000 0.293 307 Y C 2.558 178.384 175.900 -0.123 0.000 1.129 307 Y CA 0.999 58.952 58.100 -0.246 0.000 1.226 307 Y CB -0.302 37.823 38.460 -0.558 0.000 1.000 307 Y HN 0.082 nan 8.280 nan 0.000 0.549 308 T N -0.481 114.114 114.554 0.068 0.000 2.812 308 T HA -0.111 4.240 4.350 0.000 0.000 0.264 308 T C 2.044 176.825 174.700 0.135 0.000 1.042 308 T CA 0.781 63.004 62.100 0.204 0.000 1.140 308 T CB -0.077 68.876 68.868 0.142 0.000 0.870 308 T HN 0.170 nan 8.240 nan 0.000 0.445 309 R N 0.620 121.152 120.500 0.053 0.000 2.096 309 R HA -0.045 4.295 4.340 0.000 0.000 0.240 309 R C 2.373 178.698 176.300 0.041 0.000 1.139 309 R CA 1.065 57.181 56.100 0.026 0.000 0.952 309 R CB -1.015 29.277 30.300 -0.013 0.000 0.854 309 R HN 0.287 nan 8.270 nan 0.000 0.436 310 L N 1.207 122.454 121.223 0.040 0.000 2.083 310 L HA -0.149 4.191 4.340 0.000 0.000 0.209 310 L C 2.186 179.128 176.870 0.120 0.000 1.083 310 L CA 1.447 56.322 54.840 0.057 0.000 0.752 310 L CB -0.750 41.328 42.059 0.032 0.000 0.899 310 L HN 0.143 nan 8.230 nan 0.000 0.433 311 L N -0.250 121.097 121.223 0.206 0.000 1.994 311 L HA -0.159 4.181 4.340 0.000 0.000 0.208 311 L C 2.538 179.482 176.870 0.124 0.000 1.071 311 L CA 2.328 57.302 54.840 0.223 0.000 0.745 311 L CB -1.520 40.757 42.059 0.364 0.000 0.892 311 L HN 0.381 nan 8.230 nan 0.000 0.431 312 A N -0.213 122.668 122.820 0.102 0.000 1.908 312 A HA -0.153 4.168 4.320 0.000 0.000 0.218 312 A C 2.405 180.017 177.584 0.047 0.000 1.181 312 A CA 2.044 54.117 52.037 0.060 0.000 0.627 312 A CB -0.885 18.139 19.000 0.041 0.000 0.818 312 A HN 0.580 nan 8.150 nan 0.000 0.445 313 A N -1.058 121.790 122.820 0.045 0.000 2.014 313 A HA -0.042 4.278 4.320 0.000 0.000 0.218 313 A C 2.020 179.627 177.584 0.038 0.000 1.163 313 A CA 1.452 53.509 52.037 0.034 0.000 0.652 313 A CB -0.225 18.791 19.000 0.025 0.000 0.808 313 A HN 0.320 nan 8.150 nan 0.000 0.449 314 K N -0.122 120.309 120.400 0.051 0.000 2.217 314 K HA -0.041 4.279 4.320 0.000 0.000 0.202 314 K C 1.864 178.490 176.600 0.043 0.000 1.051 314 K CA 1.584 57.902 56.287 0.051 0.000 0.952 314 K CB -0.312 32.229 32.500 0.068 0.000 0.736 314 K HN 0.577 nan 8.250 nan 0.000 0.453 315 V N -3.457 116.483 119.914 0.044 0.000 3.307 315 V HA 0.347 4.467 4.120 0.000 0.000 0.253 315 V C 0.838 176.951 176.094 0.031 0.000 1.149 315 V CA 0.489 62.811 62.300 0.037 0.000 1.112 315 V CB -0.169 31.678 31.823 0.040 0.000 0.777 315 V HN 0.252 nan 8.190 nan 0.000 0.464 316 G N -0.661 108.157 108.800 0.030 0.000 2.970 316 G HA2 -0.149 3.811 3.960 0.000 0.000 0.249 316 G HA3 -0.149 3.811 3.960 0.000 0.000 0.249 316 G C -0.267 174.647 174.900 0.024 0.000 1.113 316 G CA -0.178 44.937 45.100 0.024 0.000 1.119 316 G HN 0.728 nan 8.290 nan 0.000 0.552 317 c N 0.778 119.393 118.600 0.024 0.000 3.463 317 c HA 0.267 4.837 4.570 0.000 0.000 0.283 317 c C 0.586 174.685 174.090 0.016 0.000 2.452 317 c CA -0.595 55.747 56.329 0.021 0.000 1.624 317 c CB -0.354 42.171 42.510 0.024 0.000 3.368 317 c HN 0.827 nan 8.230 nan 0.000 0.407 318 D N 2.458 122.867 120.400 0.015 0.000 2.398 318 D HA 0.134 4.774 4.640 0.000 0.000 0.250 318 D C 0.310 176.614 176.300 0.007 0.000 1.287 318 D CA 0.727 54.734 54.000 0.011 0.000 0.992 318 D CB 0.377 41.183 40.800 0.010 0.000 1.071 318 D HN 0.240 nan 8.370 nan 0.000 0.514 319 R N 3.162 123.664 120.500 0.005 0.000 2.534 319 R HA 0.226 4.567 4.340 0.000 0.000 0.301 319 R C 0.433 176.734 176.300 0.001 0.000 0.961 319 R CA -0.549 55.553 56.100 0.003 0.000 0.871 319 R CB 1.028 31.330 30.300 0.003 0.000 1.170 319 R HN 0.456 nan 8.270 nan 0.000 0.446 320 E N 0.301 120.502 120.200 0.001 0.000 2.511 320 E HA -0.086 4.264 4.350 0.000 0.000 0.196 320 E C -0.375 176.225 176.600 -0.000 0.000 1.066 320 E CA 0.574 56.974 56.400 -0.000 0.000 0.871 320 E CB 0.271 29.971 29.700 -0.000 0.000 0.863 320 E HN 0.375 nan 8.360 nan 0.000 0.520 321 D N -1.166 119.234 120.400 0.001 0.000 2.192 321 D HA 0.155 4.796 4.640 0.000 0.000 0.246 321 D C 0.543 176.843 176.300 -0.000 0.000 1.042 321 D CA -0.283 53.717 54.000 0.001 0.000 0.847 321 D CB 1.565 42.367 40.800 0.003 0.000 1.186 321 D HN -0.296 nan 8.370 nan 0.000 0.461 322 S N 1.361 117.061 115.700 -0.000 0.000 2.380 322 S HA -0.186 4.284 4.470 0.000 0.000 0.217 322 S C 1.949 176.547 174.600 -0.003 0.000 1.036 322 S CA 2.104 60.303 58.200 -0.003 0.000 1.050 322 S CB -0.605 62.595 63.200 0.001 0.000 1.016 322 S HN 0.833 nan 8.310 nan 0.000 0.419 323 T N 0.895 115.452 114.554 0.005 0.000 2.778 323 T HA -0.148 4.202 4.350 0.000 0.000 0.269 323 T C 1.489 176.195 174.700 0.009 0.000 1.050 323 T CA 1.593 63.699 62.100 0.010 0.000 1.137 323 T CB -0.539 68.338 68.868 0.016 0.000 0.860 323 T HN 0.453 nan 8.240 nan 0.000 0.468 324 E N 1.295 121.499 120.200 0.007 0.000 2.072 324 E HA 0.147 4.498 4.350 0.000 0.000 0.190 324 E C 2.669 179.272 176.600 0.004 0.000 0.982 324 E CA 0.771 57.176 56.400 0.008 0.000 0.803 324 E CB -0.317 29.388 29.700 0.007 0.000 0.755 324 E HN 0.651 nan 8.360 nan 0.000 0.453 325 A N 0.903 123.721 122.820 -0.003 0.000 1.902 325 A HA -0.149 4.172 4.320 0.000 0.000 0.217 325 A C 2.462 180.031 177.584 -0.026 0.000 1.181 325 A CA 1.198 53.229 52.037 -0.010 0.000 0.623 325 A CB -0.632 18.360 19.000 -0.014 0.000 0.818 325 A HN 0.122 nan 8.150 nan 0.000 0.443 326 V N 0.446 120.335 119.914 -0.042 0.000 2.407 326 V HA -0.213 3.907 4.120 0.000 0.000 0.248 326 V C 2.338 178.431 176.094 -0.002 0.000 1.055 326 V CA 1.951 64.200 62.300 -0.085 0.000 1.049 326 V CB -0.840 30.930 31.823 -0.089 0.000 0.662 326 V HN 0.514 nan 8.190 nan 0.000 0.455 327 E N -0.603 119.610 120.200 0.022 0.000 2.265 327 E HA -0.221 4.129 4.350 0.000 0.000 0.196 327 E C 2.227 178.854 176.600 0.046 0.000 0.996 327 E CA 1.463 57.890 56.400 0.044 0.000 0.832 327 E CB -0.676 29.042 29.700 0.031 0.000 0.756 327 E HN 0.697 nan 8.360 nan 0.000 0.491 328 c N 0.420 119.039 118.600 0.032 0.000 2.446 328 c HA -0.056 4.515 4.570 0.000 0.000 0.277 328 c C 2.680 176.803 174.090 0.054 0.000 1.275 328 c CA 0.376 56.725 56.329 0.033 0.000 1.727 328 c CB -1.064 41.459 42.510 0.020 0.000 2.010 328 c HN 0.332 nan 8.230 nan 0.000 0.486 329 L N 0.263 121.526 121.223 0.067 0.000 2.141 329 L HA -0.008 4.332 4.340 0.000 0.000 0.209 329 L C 2.643 179.646 176.870 0.221 0.000 1.094 329 L CA 1.182 56.103 54.840 0.136 0.000 0.763 329 L CB -0.681 41.438 42.059 0.100 0.000 0.908 329 L HN 0.233 nan 8.230 nan 0.000 0.437 330 R N 0.356 120.983 120.500 0.211 0.000 2.346 330 R HA 0.004 4.344 4.340 0.000 0.000 0.208 330 R C 0.891 177.231 176.300 0.066 0.000 1.052 330 R CA 0.352 56.548 56.100 0.160 0.000 1.116 330 R CB -0.003 30.384 30.300 0.144 0.000 1.003 330 R HN 0.254 nan 8.270 nan 0.000 0.482 331 R N -0.463 120.074 120.500 0.061 0.000 2.590 331 R HA 0.171 4.511 4.340 0.000 0.000 0.410 331 R C -0.813 175.503 176.300 0.027 0.000 1.010 331 R CA -0.140 55.979 56.100 0.032 0.000 1.155 331 R CB 0.909 31.226 30.300 0.029 0.000 1.455 331 R HN -0.069 nan 8.270 nan 0.000 0.567 332 K N 1.025 121.445 120.400 0.034 0.000 2.292 332 K HA 0.297 4.617 4.320 0.000 0.000 0.257 332 K C -0.094 176.509 176.600 0.006 0.000 0.940 332 K CA -0.532 55.770 56.287 0.026 0.000 0.811 332 K CB 2.230 34.756 32.500 0.043 0.000 1.120 332 K HN -0.003 nan 8.250 nan 0.000 0.428 333 S N 0.730 116.429 115.700 -0.003 0.000 2.589 333 S HA -0.051 4.419 4.470 0.000 0.000 0.265 333 S C 1.545 176.132 174.600 -0.022 0.000 1.342 333 S CA 0.070 58.260 58.200 -0.016 0.000 1.005 333 S CB 1.445 64.638 63.200 -0.013 0.000 0.909 333 S HN 0.712 nan 8.310 nan 0.000 0.555 334 S N 1.368 117.048 115.700 -0.034 0.000 2.380 334 S HA -0.304 4.166 4.470 0.000 0.000 0.229 334 S C 2.072 176.660 174.600 -0.020 0.000 1.050 334 S CA 1.991 60.169 58.200 -0.036 0.000 1.100 334 S CB -0.778 62.401 63.200 -0.035 0.000 0.984 334 S HN 0.817 nan 8.310 nan 0.000 0.434 335 R N 1.017 121.510 120.500 -0.013 0.000 2.083 335 R HA -0.030 4.310 4.340 0.000 0.000 0.237 335 R C 2.454 178.754 176.300 0.000 0.000 1.137 335 R CA 2.267 58.364 56.100 -0.005 0.000 0.951 335 R CB -0.781 29.516 30.300 -0.004 0.000 0.851 335 R HN 0.732 nan 8.270 nan 0.000 0.434 336 E N -0.597 119.604 120.200 0.001 0.000 2.051 336 E HA -0.188 4.162 4.350 0.000 0.000 0.192 336 E C 1.506 178.113 176.600 0.011 0.000 0.991 336 E CA 1.705 58.110 56.400 0.008 0.000 0.799 336 E CB -0.006 29.700 29.700 0.010 0.000 0.748 336 E HN 0.345 nan 8.360 nan 0.000 0.449 337 L N -1.234 119.993 121.223 0.007 0.000 2.307 337 L HA 0.061 4.401 4.340 0.000 0.000 0.211 337 L C 2.107 178.964 176.870 -0.023 0.000 1.099 337 L CA 0.463 55.306 54.840 0.006 0.000 0.816 337 L CB -0.845 41.233 42.059 0.031 0.000 0.952 337 L HN -0.070 nan 8.230 nan 0.000 0.455 338 V N 0.906 120.808 119.914 -0.021 0.000 2.239 338 V HA -0.143 3.977 4.120 0.000 0.000 0.242 338 V C 0.519 176.609 176.094 -0.008 0.000 1.038 338 V CA 1.620 63.904 62.300 -0.027 0.000 1.002 338 V CB -0.511 31.305 31.823 -0.012 0.000 0.641 338 V HN 0.571 nan 8.190 nan 0.000 0.449 339 D N 0.800 121.206 120.400 0.011 0.000 2.441 339 D HA 0.060 4.700 4.640 0.000 0.000 0.243 339 D C 0.512 176.830 176.300 0.030 0.000 1.257 339 D CA 0.052 54.067 54.000 0.026 0.000 1.027 339 D CB 1.395 42.212 40.800 0.030 0.000 1.084 339 D HN 0.282 nan 8.370 nan 0.000 0.514 340 Q N 0.880 120.703 119.800 0.038 0.000 2.322 340 Q HA 0.011 4.351 4.340 0.000 0.000 0.250 340 Q C -0.420 175.622 176.000 0.070 0.000 0.853 340 Q CA 0.082 55.916 55.803 0.051 0.000 0.951 340 Q CB 0.388 29.155 28.738 0.049 0.000 1.114 340 Q HN 0.436 nan 8.270 nan 0.000 0.523 341 D N -1.055 119.390 120.400 0.076 0.000 2.737 341 D HA -0.115 4.525 4.640 0.000 0.000 0.243 341 D C -1.484 174.880 176.300 0.106 0.000 1.109 341 D CA 0.439 54.487 54.000 0.079 0.000 0.702 341 D CB -1.036 39.801 40.800 0.061 0.000 1.068 341 D HN 0.073 nan 8.370 nan 0.000 0.432 342 V N 2.095 122.098 119.914 0.149 0.000 2.239 342 V HA 0.300 4.420 4.120 0.000 0.000 0.267 342 V C 0.709 176.919 176.094 0.193 0.000 1.056 342 V CA -0.630 61.792 62.300 0.203 0.000 0.830 342 V CB 1.046 33.065 31.823 0.328 0.000 1.090 342 V HN 0.208 nan 8.190 nan 0.000 0.459 343 Q N 5.468 125.353 119.800 0.142 0.000 2.349 343 Q HA 0.194 4.535 4.340 0.000 0.000 0.287 343 Q C -2.000 174.091 176.000 0.151 0.000 1.044 343 Q CA -0.439 55.433 55.803 0.114 0.000 0.918 343 Q CB 0.430 29.215 28.738 0.080 0.000 1.242 343 Q HN 0.461 nan 8.270 nan 0.000 0.405 344 P HA 0.176 nan 4.420 nan 0.000 0.277 344 P C -1.335 176.049 177.300 0.140 0.000 1.240 344 P CA -0.514 62.631 63.100 0.075 0.000 0.798 344 P CB 0.840 32.529 31.700 -0.018 0.000 0.979 345 A N 3.672 126.626 122.820 0.222 0.000 2.520 345 A HA 0.190 4.510 4.320 0.000 0.000 0.245 345 A C 0.971 178.647 177.584 0.153 0.000 1.072 345 A CA -0.466 51.665 52.037 0.157 0.000 0.761 345 A CB -0.143 18.939 19.000 0.136 0.000 1.004 345 A HN 0.585 nan 8.150 nan 0.000 0.499 346 R N 2.443 122.983 120.500 0.068 0.000 2.585 346 R HA 0.003 4.343 4.340 0.000 0.000 0.275 346 R C -0.649 175.669 176.300 0.030 0.000 1.018 346 R CA 0.784 56.820 56.100 -0.106 0.000 1.072 346 R CB -0.827 29.274 30.300 -0.332 0.000 0.953 346 R HN 1.010 nan 8.270 nan 0.000 0.419 347 Y N -2.571 117.861 120.300 0.220 0.000 4.929 347 Y HA -0.313 4.237 4.550 0.000 0.000 0.253 347 Y C 0.395 176.265 175.900 -0.049 0.000 0.946 347 Y CA 1.637 59.842 58.100 0.174 0.000 1.905 347 Y CB -1.715 36.689 38.460 -0.094 0.000 1.400 347 Y HN 0.746 nan 8.280 nan 0.000 0.531 348 H N 0.068 119.277 119.070 0.231 0.000 2.896 348 H HA 0.721 5.277 4.556 0.000 0.000 0.318 348 H C 0.314 175.691 175.328 0.081 0.000 1.409 348 H CA -0.413 55.722 56.048 0.145 0.000 1.328 348 H CB 1.792 31.591 29.762 0.062 0.000 1.940 348 H HN 0.042 nan 8.280 nan 0.000 0.665 349 I N -1.451 119.189 120.570 0.116 0.000 2.750 349 I HA 0.534 4.704 4.170 0.000 0.000 0.308 349 I C 0.406 176.273 176.117 -0.417 0.000 1.016 349 I CA -0.799 60.458 61.300 -0.072 0.000 1.098 349 I CB 1.063 39.055 38.000 -0.013 0.000 1.279 349 I HN 0.657 nan 8.210 nan 0.000 0.454 350 A N 4.235 126.745 122.820 -0.516 0.000 1.881 350 A HA 0.384 4.704 4.320 0.000 0.000 0.210 350 A C 0.425 177.487 177.584 -0.871 0.000 1.239 350 A CA 0.574 51.967 52.037 -1.073 0.000 0.629 350 A CB -0.292 18.346 19.000 -0.604 0.000 0.906 350 A HN 0.628 nan 8.150 nan 0.000 0.460 351 F N -1.029 118.802 119.950 -0.197 0.000 2.467 351 F HA 0.637 5.164 4.527 0.000 0.000 0.336 351 F C 0.668 176.343 175.800 -0.208 0.000 1.123 351 F CA 0.266 58.216 58.000 -0.084 0.000 0.964 351 F CB 2.161 41.201 39.000 0.066 0.000 1.136 351 F HN 0.435 nan 8.300 nan 0.000 0.447 352 G N 2.669 111.333 108.800 -0.226 0.000 2.428 352 G HA2 0.460 4.420 3.960 0.000 0.000 0.305 352 G HA3 0.460 4.420 3.960 0.000 0.000 0.305 352 G C -3.399 171.056 174.900 -0.741 0.000 1.260 352 G CA -0.992 43.487 45.100 -1.035 0.000 0.853 352 G HN 0.184 nan 8.290 nan 0.000 0.480 353 P HA 0.463 nan 4.420 nan 0.000 0.271 353 P C -0.534 176.586 177.300 -0.301 0.000 1.216 353 P CA -0.187 62.698 63.100 -0.358 0.000 0.776 353 P CB 1.430 32.892 31.700 -0.396 0.000 0.881 354 V N 3.353 123.154 119.914 -0.189 0.000 2.823 354 V HA 0.215 4.335 4.120 0.000 0.000 0.312 354 V C 0.128 176.117 176.094 -0.175 0.000 1.072 354 V CA -0.979 61.196 62.300 -0.209 0.000 0.937 354 V CB 2.350 34.093 31.823 -0.133 0.000 1.013 354 V HN 0.166 nan 8.190 nan 0.000 0.430 355 V N 3.080 122.885 119.914 -0.182 0.000 2.359 355 V HA 0.145 4.265 4.120 0.000 0.000 0.248 355 V C -0.003 176.061 176.094 -0.051 0.000 1.091 355 V CA 0.478 62.726 62.300 -0.087 0.000 1.103 355 V CB -0.591 31.226 31.823 -0.010 0.000 1.176 355 V HN 0.815 nan 8.190 nan 0.000 0.488 356 D N 4.155 124.516 120.400 -0.066 0.000 2.471 356 D HA 0.252 4.892 4.640 0.000 0.000 0.245 356 D C 0.796 177.067 176.300 -0.049 0.000 1.116 356 D CA -0.301 53.667 54.000 -0.053 0.000 0.853 356 D CB 2.123 42.879 40.800 -0.073 0.000 1.123 356 D HN 0.565 nan 8.370 nan 0.000 0.540 357 G N 2.817 111.602 108.800 -0.024 0.000 2.641 357 G HA2 -0.150 3.811 3.960 0.000 0.000 0.278 357 G HA3 -0.150 3.811 3.960 0.000 0.000 0.278 357 G C 0.581 175.454 174.900 -0.044 0.000 0.655 357 G CA 0.320 45.408 45.100 -0.020 0.000 2.105 357 G HN 0.488 nan 8.290 nan 0.000 0.558 358 D N -0.143 120.212 120.400 -0.075 0.000 2.769 358 D HA -0.085 4.555 4.640 0.000 0.000 0.155 358 D C 1.893 178.139 176.300 -0.091 0.000 1.479 358 D CA 0.459 54.424 54.000 -0.059 0.000 1.511 358 D CB 0.020 40.812 40.800 -0.013 0.000 1.634 358 D HN 0.138 nan 8.370 nan 0.000 0.282 359 V N 1.025 120.829 119.914 -0.183 0.000 3.523 359 V HA 0.323 4.443 4.120 0.000 0.000 0.255 359 V C -0.116 175.900 176.094 -0.129 0.000 1.226 359 V CA 0.587 62.694 62.300 -0.322 0.000 1.092 359 V CB 0.992 32.422 31.823 -0.655 0.000 0.817 359 V HN 0.059 nan 8.190 nan 0.000 0.458 360 V N 2.805 122.661 119.914 -0.097 0.000 2.276 360 V HA 0.398 4.518 4.120 0.000 0.000 0.268 360 V C -1.746 174.346 176.094 -0.004 0.000 1.032 360 V CA -0.937 61.343 62.300 -0.033 0.000 0.810 360 V CB 0.758 32.544 31.823 -0.062 0.000 1.060 360 V HN 0.343 nan 8.190 nan 0.000 0.446 361 P HA 0.047 nan 4.420 nan 0.000 0.221 361 P C 0.185 177.522 177.300 0.061 0.000 1.150 361 P CA 1.126 64.263 63.100 0.061 0.000 0.800 361 P CB 0.542 32.347 31.700 0.175 0.000 0.787 362 D N -2.886 117.556 120.400 0.071 0.000 2.692 362 D HA 0.150 4.791 4.640 0.000 0.000 0.303 362 D C -1.332 175.026 176.300 0.098 0.000 1.278 362 D CA -0.677 53.368 54.000 0.074 0.000 0.852 362 D CB 0.563 41.403 40.800 0.068 0.000 1.375 362 D HN -0.346 nan 8.370 nan 0.000 0.453 363 D N 1.861 122.333 120.400 0.120 0.000 2.451 363 D HA 0.079 4.719 4.640 0.000 0.000 0.254 363 D C -1.356 175.022 176.300 0.129 0.000 1.204 363 D CA -0.864 53.242 54.000 0.176 0.000 0.896 363 D CB 0.835 41.702 40.800 0.112 0.000 1.136 363 D HN 0.176 nan 8.370 nan 0.000 0.499 364 P HA -0.194 nan 4.420 nan 0.000 0.222 364 P C 1.172 178.523 177.300 0.086 0.000 1.142 364 P CA 0.919 64.080 63.100 0.101 0.000 0.788 364 P CB 0.503 32.257 31.700 0.090 0.000 0.767 365 E N -0.078 120.171 120.200 0.081 0.000 2.107 365 E HA -0.092 4.258 4.350 0.000 0.000 0.191 365 E C 1.989 178.623 176.600 0.056 0.000 0.982 365 E CA 0.675 57.110 56.400 0.058 0.000 0.809 365 E CB -0.384 29.335 29.700 0.033 0.000 0.756 365 E HN 0.211 nan 8.360 nan 0.000 0.459 366 I N 0.407 121.008 120.570 0.052 0.000 2.617 366 I HA -0.184 3.986 4.170 0.000 0.000 0.256 366 I C 2.043 178.185 176.117 0.042 0.000 1.167 366 I CA 0.465 61.790 61.300 0.041 0.000 1.469 366 I CB -0.062 37.957 38.000 0.033 0.000 1.098 366 I HN 0.120 nan 8.210 nan 0.000 0.436 367 L N -0.017 121.244 121.223 0.062 0.000 2.141 367 L HA -0.155 4.185 4.340 0.000 0.000 0.209 367 L C 2.549 179.486 176.870 0.112 0.000 1.094 367 L CA 1.381 56.265 54.840 0.075 0.000 0.763 367 L CB -0.302 41.822 42.059 0.108 0.000 0.908 367 L HN 0.243 nan 8.230 nan 0.000 0.437 368 M N -1.396 118.276 119.600 0.119 0.000 2.123 368 M HA -0.192 4.288 4.480 0.000 0.000 0.263 368 M C 2.283 178.640 176.300 0.095 0.000 1.069 368 M CA 1.692 57.098 55.300 0.177 0.000 1.133 368 M CB -0.309 32.331 32.600 0.066 0.000 1.356 368 M HN 0.160 nan 8.290 nan 0.000 0.415 369 Q N -0.028 119.816 119.800 0.073 0.000 2.046 369 Q HA -0.179 4.161 4.340 0.000 0.000 0.200 369 Q C 1.657 177.659 176.000 0.003 0.000 0.975 369 Q CA 1.111 56.971 55.803 0.095 0.000 0.836 369 Q CB -0.128 28.662 28.738 0.087 0.000 0.896 369 Q HN 0.339 nan 8.270 nan 0.000 0.428 370 Q N -0.006 119.763 119.800 -0.052 0.000 2.344 370 Q HA 0.100 4.441 4.340 0.000 0.000 0.212 370 Q C 0.335 176.164 176.000 -0.285 0.000 0.943 370 Q CA 0.442 56.183 55.803 -0.103 0.000 0.955 370 Q CB -0.379 28.328 28.738 -0.053 0.000 1.000 370 Q HN 0.486 nan 8.270 nan 0.000 0.488 371 G N 0.993 109.453 108.800 -0.567 0.000 2.468 371 G HA2 -0.363 3.598 3.960 0.000 0.000 0.311 371 G HA3 -0.363 3.598 3.960 0.000 0.000 0.311 371 G C 0.199 174.548 174.900 -0.919 0.000 0.942 371 G CA 0.779 45.160 45.100 -1.198 0.000 0.893 371 G HN 0.431 nan 8.290 nan 0.000 0.513 372 E N -0.104 119.829 120.200 -0.445 0.000 2.515 372 E HA 0.484 4.834 4.350 0.000 0.000 0.315 372 E C 0.219 176.716 176.600 -0.172 0.000 1.523 372 E CA -0.462 55.764 56.400 -0.289 0.000 1.704 372 E CB -0.562 29.055 29.700 -0.139 0.000 1.395 372 E HN 0.549 nan 8.360 nan 0.000 0.490 373 F N -0.985 118.811 119.950 -0.257 0.000 2.619 373 F HA 0.503 5.030 4.527 0.000 0.000 0.308 373 F C -1.499 174.123 175.800 -0.297 0.000 1.097 373 F CA -1.788 56.065 58.000 -0.244 0.000 0.953 373 F CB 0.585 39.477 39.000 -0.181 0.000 1.287 373 F HN -0.272 nan 8.300 nan 0.000 0.446 374 L N 3.027 124.136 121.223 -0.190 0.000 2.315 374 L HA 0.241 4.581 4.340 0.000 0.000 0.283 374 L C 0.397 177.045 176.870 -0.371 0.000 1.089 374 L CA -0.382 54.264 54.840 -0.322 0.000 0.833 374 L CB 0.101 41.944 42.059 -0.359 0.000 1.170 374 L HN 0.715 nan 8.230 nan 0.000 0.442 375 N N 2.600 121.266 118.700 -0.055 0.000 2.394 375 N HA -0.038 4.702 4.740 0.000 0.000 0.288 375 N C -0.935 174.691 175.510 0.193 0.000 1.272 375 N CA -0.433 52.730 53.050 0.187 0.000 1.004 375 N CB -0.069 38.557 38.487 0.232 0.000 1.393 375 N HN 0.345 nan 8.380 nan 0.000 0.488 376 Y N 1.152 121.632 120.300 0.300 0.000 2.304 376 Y HA 0.120 4.671 4.550 0.001 0.000 0.327 376 Y C 0.545 176.577 175.900 0.219 0.000 1.209 376 Y CA -1.187 57.045 58.100 0.221 0.000 1.299 376 Y CB 0.391 38.995 38.460 0.240 0.000 1.249 376 Y HN 0.449 nan 8.280 nan 0.000 0.519 377 D N 2.315 122.935 120.400 0.367 0.000 2.488 377 D HA 0.218 4.858 4.640 0.000 0.000 0.238 377 D C -0.362 176.245 176.300 0.511 0.000 1.138 377 D CA 0.670 54.882 54.000 0.353 0.000 0.873 377 D CB 0.298 41.166 40.800 0.112 0.000 1.183 377 D HN 0.412 nan 8.370 nan 0.000 0.458 378 M N 2.575 122.488 119.600 0.523 0.000 2.501 378 M HA 0.469 4.949 4.480 0.000 0.000 0.293 378 M C -1.926 174.308 176.300 -0.109 0.000 1.192 378 M CA -0.784 54.662 55.300 0.243 0.000 0.886 378 M CB 1.849 34.489 32.600 0.065 0.000 1.710 378 M HN 0.351 nan 8.290 nan 0.000 0.457 379 L N 5.971 126.964 121.223 -0.384 0.000 2.492 379 L HA 0.566 4.906 4.340 0.000 0.000 0.258 379 L C -1.715 174.948 176.870 -0.344 0.000 1.028 379 L CA -0.251 54.224 54.840 -0.608 0.000 0.900 379 L CB 0.830 42.088 42.059 -1.336 0.000 1.191 379 L HN 0.701 nan 8.230 nan 0.000 0.459 380 I N 2.411 122.785 120.570 -0.327 0.000 2.498 380 I HA 0.830 5.000 4.170 0.000 0.000 0.301 380 I C 0.641 176.226 176.117 -0.887 0.000 0.984 380 I CA -0.505 60.522 61.300 -0.455 0.000 1.204 380 I CB 1.860 39.599 38.000 -0.436 0.000 1.362 380 I HN 0.520 nan 8.210 nan 0.000 0.471 381 G N 3.178 111.345 108.800 -1.053 0.000 2.600 381 G HA2 0.694 4.654 3.960 0.000 0.000 0.293 381 G HA3 0.694 4.654 3.960 0.000 0.000 0.293 381 G C -1.501 172.793 174.900 -1.009 0.000 1.408 381 G CA -0.534 43.480 45.100 -1.811 0.000 0.782 381 G HN 0.660 nan 8.290 nan 0.000 0.482 382 V N -2.130 117.326 119.914 -0.764 0.000 3.087 382 V HA 0.728 4.848 4.120 0.000 0.000 0.306 382 V C -0.977 175.107 176.094 -0.017 0.000 1.187 382 V CA -1.510 60.664 62.300 -0.211 0.000 0.999 382 V CB 1.777 33.584 31.823 -0.028 0.000 1.049 382 V HN 0.681 nan 8.190 nan 0.000 0.431 383 N N 1.290 120.004 118.700 0.022 0.000 2.447 383 N HA 0.342 5.082 4.740 0.000 0.000 0.271 383 N C 0.661 176.135 175.510 -0.060 0.000 1.226 383 N CA -0.506 52.583 53.050 0.065 0.000 0.980 383 N CB 1.206 39.734 38.487 0.069 0.000 1.206 383 N HN 0.942 nan 8.380 nan 0.000 0.558 384 Q N -0.155 119.517 119.800 -0.213 0.000 2.096 384 Q HA 0.066 4.406 4.340 0.000 0.000 0.197 384 Q C 0.285 176.231 176.000 -0.089 0.000 0.964 384 Q CA 0.933 56.552 55.803 -0.307 0.000 0.838 384 Q CB -0.050 28.253 28.738 -0.725 0.000 0.906 384 Q HN 0.758 nan 8.270 nan 0.000 0.444 385 G N 0.440 109.195 108.800 -0.074 0.000 4.873 385 G HA2 0.134 4.094 3.960 0.000 0.000 0.314 385 G HA3 0.134 4.094 3.960 0.000 0.000 0.314 385 G C 0.137 175.045 174.900 0.012 0.000 1.426 385 G CA -0.366 44.745 45.100 0.018 0.000 1.136 385 G HN 0.236 nan 8.290 nan 0.000 0.589 386 E N 0.753 120.932 120.200 -0.035 0.000 2.031 386 E HA -0.095 4.255 4.350 0.000 0.000 0.193 386 E C 2.187 178.746 176.600 -0.069 0.000 0.994 386 E CA 1.015 57.267 56.400 -0.248 0.000 0.800 386 E CB 0.078 29.317 29.700 -0.769 0.000 0.752 386 E HN 0.391 nan 8.360 nan 0.000 0.447 387 G N 1.765 110.758 108.800 0.321 0.000 3.352 387 G HA2 0.020 3.980 3.960 0.000 0.000 0.236 387 G HA3 0.020 3.980 3.960 0.000 0.000 0.236 387 G C 1.121 176.283 174.900 0.436 0.000 1.324 387 G CA -0.169 45.347 45.100 0.692 0.000 1.404 387 G HN 0.056 nan 8.290 nan 0.000 0.542 388 L N 0.055 121.443 121.223 0.275 0.000 2.079 388 L HA 0.045 4.385 4.340 0.000 0.000 0.210 388 L C 2.544 179.538 176.870 0.206 0.000 1.081 388 L CA 1.838 56.812 54.840 0.223 0.000 0.752 388 L CB -0.157 41.967 42.059 0.109 0.000 0.896 388 L HN 0.188 nan 8.230 nan 0.000 0.433 389 K N -0.984 119.538 120.400 0.202 0.000 2.148 389 K HA -0.188 4.132 4.320 0.000 0.000 0.204 389 K C 1.995 178.670 176.600 0.125 0.000 1.050 389 K CA 1.491 57.868 56.287 0.149 0.000 0.942 389 K CB -0.612 31.976 32.500 0.145 0.000 0.724 389 K HN 0.419 nan 8.250 nan 0.000 0.446 390 F N 0.036 119.956 119.950 -0.049 0.000 2.216 390 F HA -0.130 4.397 4.527 0.000 0.000 0.300 390 F C 1.189 176.944 175.800 -0.074 0.000 1.085 390 F CA 1.129 58.978 58.000 -0.252 0.000 1.326 390 F CB 0.288 38.819 39.000 -0.781 0.000 1.027 390 F HN -0.079 nan 8.300 nan 0.000 0.497 391 V N -3.017 116.838 119.914 -0.098 0.000 3.342 391 V HA 0.190 4.310 4.120 0.000 0.000 0.322 391 V C 1.041 177.123 176.094 -0.020 0.000 1.370 391 V CA 0.107 62.325 62.300 -0.137 0.000 1.170 391 V CB -0.365 31.479 31.823 0.036 0.000 1.101 391 V HN 0.250 nan 8.190 nan 0.000 0.442 392 E N 1.061 121.259 120.200 -0.003 0.000 2.485 392 E HA -0.089 4.261 4.350 0.000 0.000 0.194 392 E C 0.832 177.431 176.600 -0.001 0.000 1.098 392 E CA 0.465 56.886 56.400 0.034 0.000 0.878 392 E CB 0.138 29.863 29.700 0.040 0.000 0.939 392 E HN 0.675 nan 8.360 nan 0.000 0.503 393 D N 0.222 120.592 120.400 -0.050 0.000 2.144 393 D HA -0.095 4.545 4.640 0.000 0.000 0.200 393 D C 0.823 177.114 176.300 -0.014 0.000 0.978 393 D CA 1.044 55.017 54.000 -0.044 0.000 0.833 393 D CB 0.137 40.888 40.800 -0.082 0.000 0.961 393 D HN 0.047 nan 8.370 nan 0.000 0.470 394 S N -0.970 114.726 115.700 -0.005 0.000 2.112 394 S HA 0.716 5.186 4.470 0.000 0.000 0.151 394 S C 0.559 175.199 174.600 0.066 0.000 1.723 394 S CA -0.430 57.780 58.200 0.017 0.000 1.263 394 S CB 1.258 64.455 63.200 -0.006 0.000 1.194 394 S HN 0.115 nan 8.310 nan 0.000 0.419 395 A N 1.805 124.690 122.820 0.108 0.000 1.911 395 A HA 0.333 4.653 4.320 0.000 0.000 0.212 395 A C 1.318 179.027 177.584 0.208 0.000 1.189 395 A CA 0.560 52.725 52.037 0.214 0.000 0.639 395 A CB -0.161 18.940 19.000 0.168 0.000 0.839 395 A HN 0.591 nan 8.150 nan 0.000 0.449 396 E N -0.556 119.716 120.200 0.119 0.000 2.995 396 E HA 0.219 4.570 4.350 0.000 0.000 0.203 396 E C -0.452 176.183 176.600 0.059 0.000 0.980 396 E CA -0.033 56.425 56.400 0.097 0.000 1.172 396 E CB 0.763 30.502 29.700 0.066 0.000 1.088 396 E HN 0.200 nan 8.360 nan 0.000 0.463 397 S N 0.895 116.623 115.700 0.047 0.000 2.567 397 S HA 0.293 4.763 4.470 0.000 0.000 0.262 397 S C 0.057 174.665 174.600 0.012 0.000 1.237 397 S CA -0.340 57.873 58.200 0.022 0.000 1.093 397 S CB -0.208 62.999 63.200 0.011 0.000 1.095 397 S HN 0.273 nan 8.310 nan 0.000 0.489 398 E N 2.288 122.497 120.200 0.014 0.000 3.304 398 E HA -0.222 4.128 4.350 0.000 0.000 0.365 398 E C 0.325 176.923 176.600 -0.003 0.000 1.512 398 E CA 2.086 58.489 56.400 0.005 0.000 1.642 398 E CB -0.881 28.817 29.700 -0.004 0.000 1.738 398 E HN 0.657 nan 8.360 nan 0.000 0.483 399 D N -1.397 118.990 120.400 -0.022 0.000 2.006 399 D HA 0.301 4.941 4.640 0.000 0.000 0.304 399 D C 1.065 177.314 176.300 -0.085 0.000 1.101 399 D CA 1.086 55.058 54.000 -0.046 0.000 0.903 399 D CB -0.476 40.295 40.800 -0.048 0.000 1.058 399 D HN 0.436 nan 8.370 nan 0.000 0.361 400 G N -0.775 107.961 108.800 -0.106 0.000 4.543 400 G HA2 0.375 4.335 3.960 0.000 0.000 0.286 400 G HA3 0.375 4.335 3.960 0.000 0.000 0.286 400 G C -0.054 174.792 174.900 -0.091 0.000 1.112 400 G CA 0.006 45.024 45.100 -0.137 0.000 0.870 400 G HN 0.560 nan 8.290 nan 0.000 0.540 401 V N -1.559 118.322 119.914 -0.055 0.000 6.356 401 V HA -0.267 3.854 4.120 0.000 0.000 0.325 401 V C 0.639 176.737 176.094 0.007 0.000 0.504 401 V CA -0.305 61.984 62.300 -0.018 0.000 0.668 401 V CB -3.207 28.616 31.823 -0.000 0.000 0.306 401 V HN 1.537 nan 8.190 nan 0.000 0.878 402 S N 0.415 116.105 115.700 -0.017 0.000 2.887 402 S HA 0.534 5.004 4.470 0.000 0.000 0.337 402 S C 1.748 176.388 174.600 0.066 0.000 1.209 402 S CA 0.687 58.880 58.200 -0.012 0.000 1.186 402 S CB 0.666 63.850 63.200 -0.026 0.000 0.925 402 S HN 2.728 nan 8.310 nan 0.000 0.522 403 A N 3.625 126.544 122.820 0.164 0.000 1.467 403 A HA -0.291 4.030 4.320 0.000 0.000 0.224 403 A C 2.240 179.988 177.584 0.273 0.000 0.419 403 A CA 1.783 53.986 52.037 0.277 0.000 1.100 403 A CB -2.671 16.418 19.000 0.148 0.000 1.463 403 A HN 1.228 nan 8.150 nan 0.000 0.719 404 S N -0.588 115.200 115.700 0.148 0.000 2.387 404 S HA 0.077 4.547 4.470 0.000 0.000 0.230 404 S C 1.936 176.556 174.600 0.034 0.000 1.035 404 S CA 2.295 60.535 58.200 0.068 0.000 1.014 404 S CB -0.348 62.836 63.200 -0.027 0.000 0.836 404 S HN 1.818 nan 8.310 nan 0.000 0.466 405 A N -0.649 122.220 122.820 0.081 0.000 2.303 405 A HA 0.380 4.700 4.320 0.000 0.000 0.217 405 A C 1.497 179.191 177.584 0.184 0.000 1.205 405 A CA -0.211 51.876 52.037 0.084 0.000 0.875 405 A CB -0.285 18.731 19.000 0.027 0.000 0.910 405 A HN 0.480 nan 8.150 nan 0.000 0.501 406 F N 1.179 121.178 119.950 0.082 0.000 2.147 406 F HA 0.032 4.560 4.527 0.000 0.000 0.291 406 F C 1.177 177.057 175.800 0.133 0.000 1.093 406 F CA 1.774 59.820 58.000 0.076 0.000 1.263 406 F CB -0.056 38.967 39.000 0.038 0.000 1.036 406 F HN 0.211 nan 8.300 nan 0.000 0.481 407 D N -0.466 119.966 120.400 0.053 0.000 2.348 407 D HA -0.075 4.565 4.640 0.000 0.000 0.216 407 D C 1.544 177.852 176.300 0.014 0.000 0.970 407 D CA 0.967 54.934 54.000 -0.056 0.000 0.889 407 D CB -0.312 40.573 40.800 0.142 0.000 0.912 407 D HN 0.337 nan 8.370 nan 0.000 0.524 408 F N -0.295 119.634 119.950 -0.035 0.000 2.776 408 F HA 0.068 4.595 4.527 0.000 0.000 0.300 408 F C 2.077 177.882 175.800 0.008 0.000 1.116 408 F CA 0.495 58.497 58.000 0.004 0.000 1.375 408 F CB 0.499 39.512 39.000 0.021 0.000 1.109 408 F HN -0.020 nan 8.300 nan 0.000 0.585 409 T N -4.733 109.881 114.554 0.101 0.000 3.040 409 T HA 0.135 4.485 4.350 0.000 0.000 0.266 409 T C 1.156 175.935 174.700 0.133 0.000 1.005 409 T CA 0.380 62.535 62.100 0.092 0.000 0.906 409 T CB 0.183 69.041 68.868 -0.017 0.000 1.082 409 T HN 0.035 nan 8.240 nan 0.000 0.531 410 V N 0.505 120.396 119.914 -0.040 0.000 3.523 410 V HA 0.222 4.342 4.120 0.000 0.000 0.255 410 V C 2.259 178.386 176.094 0.055 0.000 1.226 410 V CA 1.121 63.370 62.300 -0.084 0.000 1.092 410 V CB 0.295 31.834 31.823 -0.473 0.000 0.817 410 V HN 0.503 nan 8.190 nan 0.000 0.458 411 S N 2.053 117.760 115.700 0.012 0.000 2.371 411 S HA -0.092 4.378 4.470 0.000 0.000 0.221 411 S C 1.580 176.240 174.600 0.100 0.000 1.036 411 S CA 1.565 59.782 58.200 0.029 0.000 0.965 411 S CB -0.311 62.837 63.200 -0.087 0.000 0.845 411 S HN 0.886 nan 8.310 nan 0.000 0.475 412 N N 1.530 120.290 118.700 0.101 0.000 2.494 412 N HA -0.001 4.740 4.740 0.000 0.000 0.182 412 N C 1.256 176.910 175.510 0.240 0.000 1.076 412 N CA 0.367 53.500 53.050 0.139 0.000 0.908 412 N CB -0.796 37.757 38.487 0.110 0.000 0.967 412 N HN 0.452 nan 8.380 nan 0.000 0.449 413 F N 1.467 121.506 119.950 0.148 0.000 2.095 413 F HA -0.185 4.342 4.527 0.000 0.000 0.298 413 F C 1.775 177.639 175.800 0.106 0.000 1.104 413 F CA 1.188 59.279 58.000 0.151 0.000 1.232 413 F CB -0.096 38.990 39.000 0.142 0.000 0.987 413 F HN -0.074 nan 8.300 nan 0.000 0.475 414 V N 0.729 120.897 119.914 0.422 0.000 2.295 414 V HA -0.314 3.806 4.120 0.000 0.000 0.246 414 V C 2.107 178.325 176.094 0.206 0.000 1.049 414 V CA 2.232 64.749 62.300 0.363 0.000 1.024 414 V CB -0.832 31.188 31.823 0.327 0.000 0.648 414 V HN 0.355 nan 8.190 nan 0.000 0.447 415 D N 0.527 121.014 120.400 0.144 0.000 2.190 415 D HA -0.167 4.473 4.640 0.000 0.000 0.200 415 D C 1.771 178.101 176.300 0.051 0.000 0.992 415 D CA 1.232 55.283 54.000 0.085 0.000 0.854 415 D CB -0.266 40.576 40.800 0.070 0.000 0.936 415 D HN 0.438 nan 8.370 nan 0.000 0.462 416 N N 0.075 118.804 118.700 0.048 0.000 2.467 416 N HA -0.043 4.697 4.740 0.000 0.000 0.184 416 N C 1.369 176.872 175.510 -0.013 0.000 1.106 416 N CA 0.146 53.240 53.050 0.072 0.000 0.892 416 N CB 0.603 39.238 38.487 0.246 0.000 0.969 416 N HN 0.218 nan 8.380 nan 0.000 0.454 417 L N -1.673 119.454 121.223 -0.159 0.000 2.678 417 L HA 0.198 4.539 4.340 0.000 0.000 0.211 417 L C 0.852 177.487 176.870 -0.392 0.000 1.043 417 L CA 0.881 55.497 54.840 -0.373 0.000 0.881 417 L CB -0.418 41.172 42.059 -0.782 0.000 1.361 417 L HN -0.083 nan 8.230 nan 0.000 0.484 418 Y N -0.187 120.146 120.300 0.054 0.000 2.610 418 Y HA 0.480 5.030 4.550 0.000 0.000 0.234 418 Y C 1.860 177.744 175.900 -0.027 0.000 1.050 418 Y CA 0.572 58.773 58.100 0.169 0.000 1.381 418 Y CB -0.852 37.755 38.460 0.244 0.000 1.187 418 Y HN 0.139 nan 8.280 nan 0.000 0.495 419 G N -0.534 108.395 108.800 0.215 0.000 2.155 419 G HA2 -0.326 3.634 3.960 0.000 0.000 0.257 419 G HA3 -0.326 3.634 3.960 0.000 0.000 0.257 419 G C -0.566 174.305 174.900 -0.049 0.000 0.983 419 G CA 0.017 45.134 45.100 0.028 0.000 0.676 419 G HN 0.320 nan 8.290 nan 0.000 0.528 420 Y N 0.016 120.374 120.300 0.096 0.000 2.496 420 Y HA 0.346 4.896 4.550 0.000 0.000 0.334 420 Y C -0.625 175.300 175.900 0.040 0.000 1.080 420 Y CA -1.436 56.699 58.100 0.058 0.000 1.355 420 Y CB 0.797 39.293 38.460 0.060 0.000 1.193 420 Y HN -0.016 nan 8.280 nan 0.000 0.523 421 P HA -0.216 nan 4.420 nan 0.000 0.224 421 P C 1.197 178.549 177.300 0.087 0.000 1.142 421 P CA 1.243 64.396 63.100 0.089 0.000 0.778 421 P CB 0.362 32.099 31.700 0.062 0.000 0.764 422 E N 0.337 120.606 120.200 0.114 0.000 2.046 422 E HA -0.044 4.307 4.350 0.000 0.000 0.190 422 E C 1.408 178.041 176.600 0.054 0.000 0.982 422 E CA 1.360 57.801 56.400 0.068 0.000 0.800 422 E CB -1.033 28.695 29.700 0.047 0.000 0.756 422 E HN 0.100 nan 8.360 nan 0.000 0.449 423 G N 0.358 109.205 108.800 0.078 0.000 4.649 423 G HA2 0.206 4.166 3.960 0.000 0.000 0.312 423 G HA3 0.206 4.166 3.960 0.000 0.000 0.312 423 G C 0.451 175.396 174.900 0.075 0.000 1.403 423 G CA -0.281 44.848 45.100 0.048 0.000 1.248 423 G HN 0.043 nan 8.290 nan 0.000 0.581 424 K N 0.458 120.898 120.400 0.067 0.000 2.107 424 K HA 0.122 4.442 4.320 0.000 0.000 0.211 424 K C 1.599 178.230 176.600 0.051 0.000 1.024 424 K CA 1.076 57.402 56.287 0.063 0.000 0.953 424 K CB 0.174 32.704 32.500 0.050 0.000 0.831 424 K HN 0.120 nan 8.250 nan 0.000 0.454 425 D N -0.129 120.294 120.400 0.039 0.000 2.137 425 D HA -0.061 4.580 4.640 0.000 0.000 0.202 425 D C 1.875 178.196 176.300 0.036 0.000 0.970 425 D CA 1.012 55.032 54.000 0.034 0.000 0.837 425 D CB -0.093 40.722 40.800 0.025 0.000 0.981 425 D HN 0.035 nan 8.370 nan 0.000 0.475 426 V N 0.815 120.746 119.914 0.029 0.000 2.343 426 V HA -0.161 3.960 4.120 0.000 0.000 0.247 426 V C 2.389 178.500 176.094 0.028 0.000 1.051 426 V CA 1.117 63.430 62.300 0.022 0.000 1.036 426 V CB -0.413 31.417 31.823 0.011 0.000 0.654 426 V HN 0.189 nan 8.190 nan 0.000 0.451 427 L N -0.727 120.510 121.223 0.023 0.000 2.478 427 L HA -0.025 4.315 4.340 0.000 0.000 0.223 427 L C 2.570 179.476 176.870 0.060 0.000 1.140 427 L CA 0.890 55.736 54.840 0.009 0.000 0.842 427 L CB -0.101 41.925 42.059 -0.056 0.000 0.953 427 L HN 0.223 nan 8.230 nan 0.000 0.452 428 R N -0.603 119.941 120.500 0.074 0.000 2.080 428 R HA -0.068 4.272 4.340 0.000 0.000 0.222 428 R C 2.013 178.374 176.300 0.102 0.000 1.107 428 R CA 0.906 57.063 56.100 0.096 0.000 0.980 428 R CB 0.182 30.527 30.300 0.076 0.000 0.879 428 R HN 0.183 nan 8.270 nan 0.000 0.439 429 E N -0.630 119.626 120.200 0.094 0.000 2.299 429 E HA -0.086 4.264 4.350 0.000 0.000 0.193 429 E C 1.626 178.319 176.600 0.155 0.000 0.998 429 E CA 0.992 57.463 56.400 0.117 0.000 0.851 429 E CB 0.116 29.868 29.700 0.087 0.000 0.795 429 E HN 0.276 nan 8.360 nan 0.000 0.492 430 T N 1.553 116.189 114.554 0.138 0.000 2.812 430 T HA -0.071 4.280 4.350 0.000 0.000 0.264 430 T C 1.864 176.677 174.700 0.188 0.000 1.042 430 T CA 0.975 63.176 62.100 0.169 0.000 1.140 430 T CB -0.081 68.878 68.868 0.151 0.000 0.870 430 T HN 0.233 nan 8.240 nan 0.000 0.445 431 I N -0.366 120.310 120.570 0.176 0.000 2.546 431 I HA 0.011 4.181 4.170 0.000 0.000 0.255 431 I C 1.908 178.120 176.117 0.158 0.000 1.163 431 I CA 1.495 62.865 61.300 0.116 0.000 1.457 431 I CB -0.803 37.347 38.000 0.251 0.000 1.092 431 I HN 0.235 nan 8.210 nan 0.000 0.434 432 K N 0.780 121.301 120.400 0.202 0.000 2.063 432 K HA -0.207 4.113 4.320 0.000 0.000 0.208 432 K C 2.097 178.888 176.600 0.318 0.000 1.048 432 K CA 2.069 58.526 56.287 0.284 0.000 0.928 432 K CB -0.516 32.151 32.500 0.279 0.000 0.713 432 K HN 0.419 nan 8.250 nan 0.000 0.442 433 F N 1.466 121.530 119.950 0.190 0.000 2.146 433 F HA -0.160 4.367 4.527 0.001 0.000 0.298 433 F C 2.047 177.921 175.800 0.123 0.000 1.096 433 F CA 1.253 59.433 58.000 0.300 0.000 1.275 433 F CB -0.057 39.076 39.000 0.221 0.000 1.008 433 F HN -0.097 nan 8.300 nan 0.000 0.480 434 M N -0.709 118.677 119.600 -0.357 0.000 2.132 434 M HA -0.164 4.316 4.480 0.000 0.000 0.263 434 M C 0.670 176.501 176.300 -0.782 0.000 1.065 434 M CA 1.446 56.273 55.300 -0.789 0.000 1.122 434 M CB -1.241 30.686 32.600 -1.120 0.000 1.365 434 M HN 0.185 nan 8.290 nan 0.000 0.411 435 Y N -0.060 120.072 120.300 -0.280 0.000 2.897 435 Y HA 0.239 4.790 4.550 0.000 0.000 0.372 435 Y C 0.402 176.168 175.900 -0.224 0.000 1.034 435 Y CA -0.287 57.707 58.100 -0.177 0.000 1.627 435 Y CB 0.219 38.664 38.460 -0.026 0.000 1.474 435 Y HN -0.017 nan 8.280 nan 0.000 0.517 436 T N 0.382 114.698 114.554 -0.396 0.000 3.348 436 T HA 0.202 4.552 4.350 0.000 0.000 0.328 436 T C -1.147 172.964 174.700 -0.983 0.000 0.913 436 T CA -0.995 60.704 62.100 -0.668 0.000 1.043 436 T CB -0.218 68.136 68.868 -0.856 0.000 1.021 436 T HN 0.483 nan 8.240 nan 0.000 0.461 437 D N 2.814 122.844 120.400 -0.616 0.000 2.425 437 D HA 0.125 4.766 4.640 0.000 0.000 0.247 437 D C 0.415 176.406 176.300 -0.516 0.000 1.147 437 D CA -0.351 53.366 54.000 -0.472 0.000 0.879 437 D CB 0.593 41.253 40.800 -0.232 0.000 1.179 437 D HN 0.641 nan 8.370 nan 0.000 0.456 438 W N 2.033 123.263 121.300 -0.117 0.000 3.290 438 W HA 0.341 5.001 4.660 0.000 0.000 0.287 438 W C 2.068 178.557 176.519 -0.050 0.000 1.288 438 W CA -0.153 57.149 57.345 -0.071 0.000 1.725 438 W CB -0.057 29.379 29.460 -0.041 0.000 1.103 438 W HN 0.674 nan 8.180 nan 0.000 0.670 439 A N 0.279 123.147 122.820 0.080 0.000 1.917 439 A HA -0.187 4.133 4.320 0.000 0.000 0.219 439 A C 0.342 177.941 177.584 0.025 0.000 1.182 439 A CA 1.914 53.976 52.037 0.042 0.000 0.633 439 A CB -0.309 18.692 19.000 0.002 0.000 0.819 439 A HN 0.134 nan 8.150 nan 0.000 0.448 440 D N -3.189 117.200 120.400 -0.017 0.000 2.452 440 D HA 0.254 4.894 4.640 0.000 0.000 0.226 440 D C 0.928 177.175 176.300 -0.088 0.000 1.366 440 D CA -0.389 53.595 54.000 -0.027 0.000 0.986 440 D CB 0.805 41.585 40.800 -0.032 0.000 1.420 440 D HN 0.206 nan 8.370 nan 0.000 0.583 441 R N 1.901 122.359 120.500 -0.071 0.000 2.206 441 R HA 0.101 4.441 4.340 0.000 0.000 0.198 441 R C 0.090 176.310 176.300 -0.133 0.000 0.986 441 R CA 0.155 56.156 56.100 -0.165 0.000 1.029 441 R CB -0.109 30.104 30.300 -0.144 0.000 0.966 441 R HN 0.202 nan 8.270 nan 0.000 0.487 442 D N 1.464 121.826 120.400 -0.064 0.000 2.688 442 D HA 0.138 4.779 4.640 0.000 0.000 0.228 442 D C -0.062 176.198 176.300 -0.067 0.000 1.116 442 D CA 0.080 54.048 54.000 -0.055 0.000 1.023 442 D CB -0.372 40.418 40.800 -0.018 0.000 1.100 442 D HN 0.302 nan 8.370 nan 0.000 0.487 443 N N 0.060 118.699 118.700 -0.102 0.000 2.594 443 N HA 0.191 4.931 4.740 0.000 0.000 0.237 443 N C 1.239 176.686 175.510 -0.105 0.000 1.057 443 N CA 0.231 53.220 53.050 -0.101 0.000 0.883 443 N CB 0.860 39.276 38.487 -0.119 0.000 1.538 443 N HN 0.348 nan 8.380 nan 0.000 0.451 444 G N 1.839 110.560 108.800 -0.132 0.000 4.933 444 G HA2 -0.367 3.593 3.960 0.000 0.000 0.285 444 G HA3 -0.367 3.593 3.960 0.000 0.000 0.285 444 G C 0.784 175.588 174.900 -0.159 0.000 1.596 444 G CA 0.666 45.690 45.100 -0.127 0.000 1.081 444 G HN 0.293 nan 8.290 nan 0.000 0.710 445 E N 0.935 121.041 120.200 -0.156 0.000 2.068 445 E HA -0.161 4.189 4.350 0.000 0.000 0.207 445 E C 2.632 179.079 176.600 -0.256 0.000 1.032 445 E CA 2.378 58.647 56.400 -0.218 0.000 0.839 445 E CB -0.328 29.271 29.700 -0.169 0.000 0.758 445 E HN 0.746 nan 8.360 nan 0.000 0.457 446 M N -0.390 119.097 119.600 -0.188 0.000 2.747 446 M HA 0.182 4.662 4.480 0.000 0.000 0.221 446 M C 1.100 177.290 176.300 -0.183 0.000 1.107 446 M CA 1.021 56.220 55.300 -0.168 0.000 1.031 446 M CB -0.024 32.502 32.600 -0.123 0.000 1.727 446 M HN -0.134 nan 8.290 nan 0.000 0.517 447 R N 1.115 121.490 120.500 -0.208 0.000 2.189 447 R HA 0.198 4.538 4.340 0.000 0.000 0.203 447 R C 2.166 178.396 176.300 -0.116 0.000 1.012 447 R CA 0.846 56.820 56.100 -0.210 0.000 1.015 447 R CB 0.099 30.260 30.300 -0.231 0.000 0.938 447 R HN 0.388 nan 8.270 nan 0.000 0.472 448 R N -0.200 120.192 120.500 -0.179 0.000 2.062 448 R HA -0.096 4.245 4.340 0.000 0.000 0.231 448 R C 1.932 178.184 176.300 -0.080 0.000 1.136 448 R CA 1.621 57.615 56.100 -0.176 0.000 0.948 448 R CB -0.199 29.825 30.300 -0.459 0.000 0.845 448 R HN -0.083 nan 8.270 nan 0.000 0.430 449 K N 0.489 120.818 120.400 -0.118 0.000 2.074 449 K HA -0.144 4.177 4.320 0.000 0.000 0.209 449 K C 1.919 178.566 176.600 0.079 0.000 1.048 449 K CA 2.334 58.627 56.287 0.010 0.000 0.926 449 K CB -0.413 32.089 32.500 0.002 0.000 0.713 449 K HN 0.332 nan 8.250 nan 0.000 0.444 450 T N -0.798 113.787 114.554 0.052 0.000 2.821 450 T HA -0.078 4.272 4.350 0.000 0.000 0.267 450 T C 1.993 176.786 174.700 0.154 0.000 1.046 450 T CA 1.164 63.334 62.100 0.117 0.000 1.139 450 T CB -0.409 68.494 68.868 0.057 0.000 0.871 450 T HN 0.131 nan 8.240 nan 0.000 0.454 451 L N 0.528 121.862 121.223 0.184 0.000 2.046 451 L HA 0.047 4.387 4.340 0.000 0.000 0.208 451 L C 2.622 179.682 176.870 0.315 0.000 1.077 451 L CA 1.181 56.179 54.840 0.263 0.000 0.747 451 L CB -0.521 41.710 42.059 0.286 0.000 0.896 451 L HN 0.269 nan 8.230 nan 0.000 0.432 452 L N -0.514 120.878 121.223 0.282 0.000 2.017 452 L HA -0.211 4.129 4.340 0.000 0.000 0.208 452 L C 2.634 179.677 176.870 0.289 0.000 1.073 452 L CA 1.786 56.830 54.840 0.339 0.000 0.745 452 L CB -0.357 41.874 42.059 0.287 0.000 0.894 452 L HN 0.176 nan 8.230 nan 0.000 0.432 453 A N 0.003 122.942 122.820 0.198 0.000 1.877 453 A HA -0.221 4.099 4.320 0.000 0.000 0.216 453 A C 2.229 179.828 177.584 0.025 0.000 1.186 453 A CA 1.776 53.919 52.037 0.176 0.000 0.620 453 A CB -1.082 18.047 19.000 0.215 0.000 0.822 453 A HN 0.584 nan 8.150 nan 0.000 0.443 454 L N -1.461 119.587 121.223 -0.292 0.000 1.997 454 L HA -0.217 4.123 4.340 0.000 0.000 0.216 454 L C 2.214 178.879 176.870 -0.342 0.000 1.074 454 L CA 2.812 57.173 54.840 -0.799 0.000 0.763 454 L CB -0.775 40.769 42.059 -0.860 0.000 0.890 454 L HN 0.366 nan 8.230 nan 0.000 0.434 455 F N 0.252 119.974 119.950 -0.379 0.000 2.102 455 F HA -0.192 4.335 4.527 0.000 0.000 0.298 455 F C 2.358 178.108 175.800 -0.083 0.000 1.105 455 F CA 2.158 59.939 58.000 -0.365 0.000 1.239 455 F CB -0.756 37.872 39.000 -0.620 0.000 0.991 455 F HN 0.133 nan 8.300 nan 0.000 0.474 456 T N 0.178 114.923 114.554 0.319 0.000 2.635 456 T HA -0.235 4.115 4.350 0.000 0.000 0.267 456 T C 1.410 176.274 174.700 0.272 0.000 1.040 456 T CA 1.911 64.319 62.100 0.514 0.000 1.156 456 T CB -0.519 68.596 68.868 0.411 0.000 0.863 456 T HN 0.223 nan 8.240 nan 0.000 0.430 457 D N -0.074 120.413 120.400 0.145 0.000 2.123 457 D HA -0.105 4.535 4.640 0.000 0.000 0.196 457 D C 1.887 178.074 176.300 -0.188 0.000 0.992 457 D CA 1.240 55.315 54.000 0.124 0.000 0.833 457 D CB -0.475 40.534 40.800 0.348 0.000 0.954 457 D HN 0.497 nan 8.370 nan 0.000 0.455 458 H N -0.291 118.405 119.070 -0.623 0.000 2.529 458 H HA 0.076 4.632 4.556 0.000 0.000 0.277 458 H C 1.421 176.182 175.328 -0.946 0.000 0.999 458 H CA 1.112 56.530 56.048 -1.050 0.000 1.256 458 H CB 0.353 29.367 29.762 -1.246 0.000 1.402 458 H HN -0.025 nan 8.280 nan 0.000 0.566 459 Q N -1.866 117.306 119.800 -1.047 0.000 2.391 459 Q HA 0.041 4.382 4.340 0.000 0.000 0.243 459 Q C 1.178 176.493 176.000 -1.142 0.000 0.874 459 Q CA 0.337 55.247 55.803 -1.488 0.000 0.950 459 Q CB 0.719 28.122 28.738 -2.225 0.000 1.103 459 Q HN 0.569 nan 8.270 nan 0.000 0.544 460 W N -0.334 120.835 121.300 -0.218 0.000 4.168 460 W HA 0.083 4.743 4.660 0.001 0.000 0.211 460 W C 1.948 178.458 176.519 -0.015 0.000 1.002 460 W CA 0.692 58.004 57.345 -0.054 0.000 1.903 460 W CB -0.571 28.928 29.460 0.065 0.000 0.828 460 W HN -0.024 nan 8.180 nan 0.000 0.876 461 V N 1.060 121.145 119.914 0.286 0.000 2.244 461 V HA -0.072 4.048 4.120 0.000 0.000 0.244 461 V C 2.124 178.347 176.094 0.215 0.000 1.042 461 V CA 2.920 65.397 62.300 0.296 0.000 1.006 461 V CB -1.343 30.718 31.823 0.397 0.000 0.641 461 V HN -0.043 nan 8.190 nan 0.000 0.446 462 A N 1.100 124.000 122.820 0.132 0.000 1.873 462 A HA 0.033 4.353 4.320 0.000 0.000 0.215 462 A C 0.819 178.430 177.584 0.045 0.000 1.186 462 A CA 1.945 54.050 52.037 0.112 0.000 0.616 462 A CB -2.112 16.960 19.000 0.120 0.000 0.823 462 A HN 0.608 nan 8.150 nan 0.000 0.442 463 P HA -0.176 nan 4.420 nan 0.000 0.216 463 P C 1.625 178.934 177.300 0.016 0.000 1.150 463 P CA 2.090 65.140 63.100 -0.083 0.000 0.843 463 P CB -0.060 31.513 31.700 -0.211 0.000 0.787 464 A N -1.013 121.852 122.820 0.074 0.000 1.874 464 A HA -0.081 4.239 4.320 0.000 0.000 0.214 464 A C 2.368 180.062 177.584 0.184 0.000 1.189 464 A CA 1.336 53.433 52.037 0.099 0.000 0.615 464 A CB -1.514 17.538 19.000 0.086 0.000 0.830 464 A HN 0.108 nan 8.150 nan 0.000 0.443 465 V N -0.119 119.937 119.914 0.235 0.000 2.515 465 V HA -0.117 4.003 4.120 0.000 0.000 0.250 465 V C 2.714 178.920 176.094 0.187 0.000 1.058 465 V CA 1.991 64.395 62.300 0.173 0.000 1.064 465 V CB -0.534 31.333 31.823 0.073 0.000 0.675 465 V HN 0.581 nan 8.190 nan 0.000 0.461 466 A N -1.288 121.631 122.820 0.165 0.000 1.855 466 A HA -0.197 4.123 4.320 0.000 0.000 0.215 466 A C 2.431 180.121 177.584 0.177 0.000 1.191 466 A CA 2.349 54.484 52.037 0.164 0.000 0.613 466 A CB -1.201 17.867 19.000 0.115 0.000 0.829 466 A HN 0.459 nan 8.150 nan 0.000 0.442 467 T N -0.632 114.008 114.554 0.143 0.000 2.962 467 T HA 0.087 4.437 4.350 0.000 0.000 0.270 467 T C 1.809 176.640 174.700 0.219 0.000 1.088 467 T CA 1.544 63.741 62.100 0.161 0.000 1.127 467 T CB -0.407 68.518 68.868 0.096 0.000 0.883 467 T HN 0.503 nan 8.240 nan 0.000 0.493 468 A N 1.085 124.018 122.820 0.188 0.000 1.872 468 A HA 0.059 4.379 4.320 0.000 0.000 0.214 468 A C 2.248 180.121 177.584 0.482 0.000 1.187 468 A CA 1.583 53.736 52.037 0.194 0.000 0.614 468 A CB -0.516 18.432 19.000 -0.088 0.000 0.826 468 A HN 0.519 nan 8.150 nan 0.000 0.442 469 K N -0.269 120.462 120.400 0.551 0.000 2.147 469 K HA -0.056 4.264 4.320 0.000 0.000 0.205 469 K C 1.787 178.597 176.600 0.350 0.000 1.049 469 K CA 1.176 57.775 56.287 0.519 0.000 0.936 469 K CB -0.266 32.457 32.500 0.372 0.000 0.722 469 K HN 0.475 nan 8.250 nan 0.000 0.446 470 L N -0.258 121.162 121.223 0.328 0.000 2.072 470 L HA -0.148 4.193 4.340 0.000 0.000 0.205 470 L C 2.116 179.218 176.870 0.386 0.000 1.079 470 L CA 1.285 56.315 54.840 0.316 0.000 0.752 470 L CB -0.341 41.855 42.059 0.229 0.000 0.906 470 L HN 0.258 nan 8.230 nan 0.000 0.436 471 H N -0.874 118.377 119.070 0.302 0.000 2.428 471 H HA 0.016 4.572 4.556 0.000 0.000 0.296 471 H C 2.198 177.731 175.328 0.341 0.000 1.062 471 H CA 1.047 57.288 56.048 0.322 0.000 1.350 471 H CB -0.011 29.811 29.762 0.099 0.000 1.403 471 H HN 0.301 nan 8.280 nan 0.000 0.533 472 A N 0.287 123.353 122.820 0.410 0.000 2.067 472 A HA -0.136 4.184 4.320 0.000 0.000 0.219 472 A C 1.652 179.329 177.584 0.155 0.000 1.158 472 A CA 1.588 53.794 52.037 0.282 0.000 0.661 472 A CB -0.029 19.160 19.000 0.316 0.000 0.801 472 A HN 0.321 nan 8.150 nan 0.000 0.452 473 D N -1.900 118.592 120.400 0.153 0.000 2.289 473 D HA -0.007 4.634 4.640 0.000 0.000 0.207 473 D C -0.026 176.164 176.300 -0.183 0.000 0.966 473 D CA 0.848 54.822 54.000 -0.044 0.000 0.868 473 D CB 0.022 40.761 40.800 -0.101 0.000 0.943 473 D HN 0.595 nan 8.370 nan 0.000 0.514 474 Y N 0.460 120.826 120.300 0.109 0.000 2.801 474 Y HA 0.105 4.655 4.550 0.000 0.000 0.318 474 Y C 0.493 176.436 175.900 0.072 0.000 1.073 474 Y CA -0.288 57.842 58.100 0.050 0.000 1.360 474 Y CB 0.487 38.931 38.460 -0.026 0.000 1.220 474 Y HN -0.264 nan 8.280 nan 0.000 0.536 475 Q N -1.490 118.402 119.800 0.154 0.000 2.282 475 Q HA -0.204 4.137 4.340 0.000 0.000 0.182 475 Q C 0.269 176.366 176.000 0.162 0.000 0.609 475 Q CA 1.201 57.076 55.803 0.121 0.000 1.397 475 Q CB -1.810 26.981 28.738 0.087 0.000 1.458 475 Q HN 0.471 nan 8.270 nan 0.000 0.852 476 S N 1.330 117.177 115.700 0.246 0.000 2.505 476 S HA 0.550 5.020 4.470 0.000 0.000 0.276 476 S C -2.203 172.526 174.600 0.216 0.000 1.274 476 S CA -1.106 57.253 58.200 0.265 0.000 1.053 476 S CB 1.205 64.633 63.200 0.379 0.000 0.919 476 S HN 0.084 nan 8.310 nan 0.000 0.490 477 P HA 0.240 nan 4.420 nan 0.000 0.271 477 P C -0.921 176.446 177.300 0.113 0.000 1.226 477 P CA -0.280 62.881 63.100 0.103 0.000 0.765 477 P CB 0.647 32.449 31.700 0.170 0.000 0.835 478 V N 5.532 125.432 119.914 -0.022 0.000 2.588 478 V HA 0.343 4.463 4.120 0.000 0.000 0.304 478 V C -0.691 175.323 176.094 -0.133 0.000 1.042 478 V CA -0.549 61.785 62.300 0.055 0.000 0.877 478 V CB 1.485 33.448 31.823 0.234 0.000 0.996 478 V HN 0.359 nan 8.190 nan 0.000 0.425 479 Y N 3.808 124.109 120.300 0.002 0.000 2.328 479 Y HA 0.571 5.121 4.550 0.001 0.000 0.336 479 Y C -0.413 175.623 175.900 0.226 0.000 0.960 479 Y CA -0.665 57.434 58.100 -0.002 0.000 1.134 479 Y CB 1.702 39.763 38.460 -0.665 0.000 1.166 479 Y HN 0.595 nan 8.280 nan 0.000 0.464 480 F N 5.409 125.679 119.950 0.533 0.000 2.404 480 F HA 0.446 4.973 4.527 0.000 0.000 0.339 480 F C -0.619 175.497 175.800 0.526 0.000 1.105 480 F CA -1.056 57.139 58.000 0.326 0.000 1.087 480 F CB 0.507 39.538 39.000 0.051 0.000 1.143 480 F HN 0.454 nan 8.300 nan 0.000 0.491 481 Y N 1.644 122.048 120.300 0.174 0.000 2.570 481 Y HA 0.782 5.332 4.550 0.001 0.000 0.345 481 Y C -1.454 174.504 175.900 0.096 0.000 1.014 481 Y CA -1.689 56.478 58.100 0.112 0.000 1.063 481 Y CB 1.530 40.049 38.460 0.099 0.000 1.272 481 Y HN 0.457 nan 8.280 nan 0.000 0.477 482 T N 4.293 119.093 114.554 0.410 0.000 2.985 482 T HA 0.238 4.588 4.350 0.000 0.000 0.315 482 T C -1.473 173.479 174.700 0.421 0.000 1.001 482 T CA -0.298 61.954 62.100 0.254 0.000 1.016 482 T CB 0.050 68.894 68.868 -0.040 0.000 0.993 482 T HN 0.574 nan 8.240 nan 0.000 0.454 483 F N 3.813 123.964 119.950 0.334 0.000 2.468 483 F HA 0.325 4.852 4.527 0.000 0.000 0.356 483 F C -0.413 175.433 175.800 0.077 0.000 1.167 483 F CA -0.958 57.146 58.000 0.173 0.000 1.135 483 F CB 0.066 39.161 39.000 0.159 0.000 1.197 483 F HN 0.575 nan 8.300 nan 0.000 0.569 484 Y N 5.244 125.335 120.300 -0.347 0.000 2.850 484 Y HA 0.295 4.845 4.550 0.000 0.000 0.360 484 Y C -0.410 175.364 175.900 -0.211 0.000 1.174 484 Y CA -0.459 57.500 58.100 -0.234 0.000 1.373 484 Y CB -0.298 37.973 38.460 -0.314 0.000 1.487 484 Y HN 0.619 nan 8.280 nan 0.000 0.553 485 H N 0.275 119.122 119.070 -0.373 0.000 3.093 485 H HA 0.290 4.846 4.556 0.001 0.000 0.312 485 H C -1.601 173.670 175.328 -0.095 0.000 1.213 485 H CA -0.863 54.998 56.048 -0.313 0.000 1.366 485 H CB 0.817 30.223 29.762 -0.592 0.000 1.998 485 H HN 0.388 nan 8.280 nan 0.000 0.522 486 H N 2.899 121.717 119.070 -0.420 0.000 2.961 486 H HA 0.398 4.954 4.556 0.001 0.000 0.371 486 H C -0.805 174.460 175.328 -0.105 0.000 1.190 486 H CA -0.676 55.353 56.048 -0.031 0.000 1.138 486 H CB 0.862 30.654 29.762 0.050 0.000 1.816 486 H HN 0.736 nan 8.280 nan 0.000 0.551 487 c N 3.021 121.618 118.600 -0.006 0.000 2.652 487 c HA 0.095 4.666 4.570 0.000 0.000 0.412 487 c C 0.715 174.511 174.090 -0.490 0.000 1.294 487 c CA -0.324 55.916 56.329 -0.148 0.000 2.127 487 c CB -0.362 42.103 42.510 -0.074 0.000 2.691 487 c HN 0.753 nan 8.230 nan 0.000 0.615 488 Q N 4.062 123.632 119.800 -0.384 0.000 2.442 488 Q HA 0.236 4.576 4.340 0.000 0.000 0.244 488 Q C 0.442 176.314 176.000 -0.213 0.000 1.302 488 Q CA 0.444 56.062 55.803 -0.309 0.000 0.889 488 Q CB -0.348 28.272 28.738 -0.196 0.000 1.578 488 Q HN 0.764 nan 8.270 nan 0.000 0.526 489 A N 2.333 125.066 122.820 -0.146 0.000 2.293 489 A HA 0.222 4.542 4.320 0.000 0.000 0.302 489 A C 0.843 178.396 177.584 -0.052 0.000 1.119 489 A CA -0.511 51.484 52.037 -0.069 0.000 0.823 489 A CB 0.675 19.693 19.000 0.031 0.000 1.097 489 A HN 0.643 nan 8.150 nan 0.000 0.491 490 E N 1.423 121.593 120.200 -0.049 0.000 2.285 490 E HA -0.055 4.295 4.350 0.000 0.000 0.194 490 E C 1.845 178.426 176.600 -0.033 0.000 0.997 490 E CA 0.863 57.236 56.400 -0.044 0.000 0.845 490 E CB 0.038 29.712 29.700 -0.044 0.000 0.782 490 E HN 0.867 nan 8.360 nan 0.000 0.491 491 G N 2.188 110.976 108.800 -0.019 0.000 2.403 491 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 491 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 491 G C 0.830 175.707 174.900 -0.038 0.000 1.154 491 G CA -0.008 45.082 45.100 -0.016 0.000 0.784 491 G HN 0.075 nan 8.290 nan 0.000 0.538 492 R N 0.954 121.424 120.500 -0.050 0.000 2.486 492 R HA 0.480 4.820 4.340 0.000 0.000 0.286 492 R C -2.762 173.422 176.300 -0.193 0.000 0.999 492 R CA -1.859 54.160 56.100 -0.135 0.000 0.993 492 R CB 0.376 30.598 30.300 -0.130 0.000 1.084 492 R HN -0.049 nan 8.270 nan 0.000 0.487 493 P HA 0.070 nan 4.420 nan 0.000 0.293 493 P C 0.396 177.443 177.300 -0.423 0.000 1.298 493 P CA -0.477 62.393 63.100 -0.385 0.000 0.757 493 P CB 0.547 31.942 31.700 -0.509 0.000 1.262 494 E N -0.385 119.643 120.200 -0.287 0.000 2.072 494 E HA -0.114 4.236 4.350 0.000 0.000 0.190 494 E C 1.595 178.147 176.600 -0.081 0.000 0.982 494 E CA 0.868 57.200 56.400 -0.113 0.000 0.803 494 E CB -0.371 29.339 29.700 0.018 0.000 0.755 494 E HN 0.559 nan 8.360 nan 0.000 0.453 495 W N 0.855 122.184 121.300 0.048 0.000 2.525 495 W HA 0.208 4.869 4.660 0.001 0.000 0.259 495 W C 0.436 176.974 176.519 0.032 0.000 1.253 495 W CA 0.192 57.562 57.345 0.041 0.000 1.262 495 W CB -0.768 28.711 29.460 0.031 0.000 1.122 495 W HN -0.037 nan 8.180 nan 0.000 0.607 496 A N 2.596 125.167 122.820 -0.415 0.000 2.511 496 A HA 0.149 4.470 4.320 0.000 0.000 0.242 496 A C -0.461 176.986 177.584 -0.228 0.000 1.069 496 A CA 0.464 52.273 52.037 -0.380 0.000 0.763 496 A CB -0.016 18.607 19.000 -0.629 0.000 1.001 496 A HN 0.291 nan 8.150 nan 0.000 0.498 497 D N 0.519 120.807 120.400 -0.187 0.000 2.567 497 D HA 0.547 5.188 4.640 0.000 0.000 0.275 497 D C 0.510 176.548 176.300 -0.437 0.000 1.195 497 D CA 0.288 54.161 54.000 -0.213 0.000 1.087 497 D CB 0.509 41.272 40.800 -0.061 0.000 1.165 497 D HN 0.755 nan 8.370 nan 0.000 0.609 498 A N 0.233 122.920 122.820 -0.221 0.000 2.512 498 A HA 0.425 4.745 4.320 0.000 0.000 0.278 498 A C 0.250 177.787 177.584 -0.079 0.000 1.128 498 A CA 0.021 52.008 52.037 -0.082 0.000 0.818 498 A CB -1.087 17.940 19.000 0.044 0.000 1.044 498 A HN 0.492 nan 8.150 nan 0.000 0.526 499 A N 2.801 125.576 122.820 -0.074 0.000 2.240 499 A HA 0.487 4.807 4.320 0.000 0.000 0.292 499 A C 0.549 178.151 177.584 0.030 0.000 1.121 499 A CA -0.506 51.519 52.037 -0.021 0.000 0.851 499 A CB -0.007 18.990 19.000 -0.005 0.000 1.167 499 A HN 0.922 nan 8.150 nan 0.000 0.503 500 H N -0.502 118.508 119.070 -0.101 0.000 2.929 500 H HA 0.291 4.848 4.556 0.001 0.000 0.317 500 H C 1.441 176.815 175.328 0.078 0.000 1.031 500 H CA 1.784 57.748 56.048 -0.139 0.000 1.466 500 H CB 0.435 30.050 29.762 -0.244 0.000 1.482 500 H HN 1.222 nan 8.280 nan 0.000 0.561 501 G N 5.129 113.779 108.800 -0.250 0.000 2.284 501 G HA2 -0.309 3.651 3.960 0.000 0.000 0.247 501 G HA3 -0.309 3.651 3.960 0.000 0.000 0.247 501 G C 0.973 176.154 174.900 0.468 0.000 1.012 501 G CA 0.418 45.678 45.100 0.267 0.000 0.618 501 G HN 0.624 nan 8.290 nan 0.000 0.521 502 D N 1.268 121.882 120.400 0.356 0.000 2.411 502 D HA 0.016 4.656 4.640 0.000 0.000 0.226 502 D C 2.319 178.807 176.300 0.314 0.000 0.988 502 D CA 1.272 55.508 54.000 0.395 0.000 0.938 502 D CB 0.045 41.086 40.800 0.401 0.000 0.883 502 D HN 0.774 nan 8.370 nan 0.000 0.525 503 E N 0.248 120.467 120.200 0.032 0.000 2.400 503 E HA -0.086 4.265 4.350 0.000 0.000 0.195 503 E C 1.755 178.177 176.600 -0.297 0.000 1.012 503 E CA -0.063 56.054 56.400 -0.472 0.000 0.875 503 E CB -0.272 28.914 29.700 -0.857 0.000 0.859 503 E HN 0.128 nan 8.360 nan 0.000 0.498 504 L N 2.009 123.173 121.223 -0.098 0.000 1.989 504 L HA -0.081 4.259 4.340 0.000 0.000 0.211 504 L C -0.336 176.348 176.870 -0.309 0.000 1.071 504 L CA 1.999 56.782 54.840 -0.095 0.000 0.749 504 L CB -2.355 39.757 42.059 0.089 0.000 0.890 504 L HN 0.175 nan 8.230 nan 0.000 0.431 505 P HA -0.210 nan 4.420 nan 0.000 0.218 505 P C 1.524 178.418 177.300 -0.677 0.000 1.148 505 P CA 1.607 64.198 63.100 -0.847 0.000 0.822 505 P CB -0.162 30.948 31.700 -0.983 0.000 0.784 506 Y N -0.323 119.741 120.300 -0.394 0.000 2.242 506 Y HA -0.111 4.439 4.550 0.000 0.000 0.291 506 Y C 2.647 178.239 175.900 -0.513 0.000 1.137 506 Y CA 0.679 58.550 58.100 -0.381 0.000 1.181 506 Y CB -1.384 36.977 38.460 -0.165 0.000 0.989 506 Y HN -0.256 nan 8.280 nan 0.000 0.527 507 V N -1.080 118.543 119.914 -0.485 0.000 2.358 507 V HA -0.271 3.849 4.120 0.000 0.000 0.246 507 V C 1.476 177.191 176.094 -0.631 0.000 1.047 507 V CA 1.631 63.492 62.300 -0.733 0.000 1.035 507 V CB -0.635 30.709 31.823 -0.800 0.000 0.658 507 V HN 0.297 nan 8.190 nan 0.000 0.452 508 F N 0.645 120.367 119.950 -0.381 0.000 2.773 508 F HA 0.368 4.895 4.527 0.000 0.000 0.304 508 F C 1.776 177.371 175.800 -0.341 0.000 1.129 508 F CA 0.648 58.455 58.000 -0.321 0.000 1.378 508 F CB -0.366 38.445 39.000 -0.314 0.000 1.095 508 F HN 0.286 nan 8.300 nan 0.000 0.565 509 G N 0.374 109.003 108.800 -0.285 0.000 2.249 509 G HA2 -0.295 3.665 3.960 0.000 0.000 0.273 509 G HA3 -0.295 3.665 3.960 0.000 0.000 0.273 509 G C 1.085 175.756 174.900 -0.381 0.000 1.036 509 G CA 0.474 45.370 45.100 -0.341 0.000 0.824 509 G HN 0.292 nan 8.290 nan 0.000 0.504 510 V N 0.485 120.115 119.914 -0.473 0.000 2.427 510 V HA -0.087 4.034 4.120 0.000 0.000 0.248 510 V C 0.728 176.401 176.094 -0.702 0.000 1.051 510 V CA 2.547 64.541 62.300 -0.510 0.000 1.048 510 V CB -0.360 31.140 31.823 -0.539 0.000 0.666 510 V HN 0.422 nan 8.190 nan 0.000 0.456 511 P HA -0.125 nan 4.420 nan 0.000 0.223 511 P C 1.637 178.575 177.300 -0.604 0.000 1.151 511 P CA 1.328 63.681 63.100 -1.246 0.000 0.787 511 P CB -0.073 30.811 31.700 -1.360 0.000 0.788 512 M N -1.565 117.732 119.600 -0.505 0.000 2.561 512 M HA 0.021 4.502 4.480 0.000 0.000 0.238 512 M C 1.308 177.486 176.300 -0.202 0.000 1.131 512 M CA 0.762 55.849 55.300 -0.354 0.000 1.046 512 M CB 0.150 32.522 32.600 -0.381 0.000 1.532 512 M HN -0.185 nan 8.290 nan 0.000 0.497 513 V N -1.229 118.563 119.914 -0.204 0.000 3.219 513 V HA 0.503 4.623 4.120 0.000 0.000 0.240 513 V C 0.321 176.366 176.094 -0.082 0.000 1.222 513 V CA 1.063 63.293 62.300 -0.118 0.000 1.181 513 V CB 1.314 33.067 31.823 -0.116 0.000 0.941 513 V HN 0.427 nan 8.190 nan 0.000 0.471 514 G N -0.136 108.607 108.800 -0.095 0.000 2.351 514 G HA2 0.473 4.434 3.960 0.000 0.000 0.296 514 G HA3 0.473 4.434 3.960 0.000 0.000 0.296 514 G C -0.555 174.365 174.900 0.034 0.000 1.685 514 G CA -0.220 44.866 45.100 -0.022 0.000 0.936 514 G HN 0.922 nan 8.290 nan 0.000 0.714 515 A N 1.342 124.237 122.820 0.125 0.000 2.553 515 A HA 0.552 4.872 4.320 0.000 0.000 0.258 515 A C 1.239 178.873 177.584 0.083 0.000 1.069 515 A CA 1.510 53.647 52.037 0.167 0.000 0.767 515 A CB -0.453 18.601 19.000 0.090 0.000 0.997 515 A HN 2.217 nan 8.150 nan 0.000 0.512 516 T N -0.424 114.192 114.554 0.103 0.000 2.870 516 T HA 0.340 4.691 4.350 0.000 0.000 0.277 516 T C 0.822 175.552 174.700 0.050 0.000 1.000 516 T CA 0.028 62.164 62.100 0.060 0.000 0.982 516 T CB 0.821 69.721 68.868 0.052 0.000 1.249 516 T HN 0.526 nan 8.240 nan 0.000 0.589 517 D N -0.030 120.387 120.400 0.028 0.000 2.205 517 D HA -0.128 4.512 4.640 0.000 0.000 0.190 517 D C 1.615 177.897 176.300 -0.031 0.000 1.002 517 D CA 2.000 56.000 54.000 0.000 0.000 0.848 517 D CB 0.003 40.817 40.800 0.023 0.000 0.975 517 D HN 0.585 nan 8.370 nan 0.000 0.449 518 L N -1.978 119.187 121.223 -0.097 0.000 2.906 518 L HA 0.310 4.650 4.340 0.000 0.000 0.255 518 L C -0.647 175.832 176.870 -0.652 0.000 1.166 518 L CA 0.095 54.771 54.840 -0.274 0.000 0.977 518 L CB -0.771 41.127 42.059 -0.268 0.000 1.313 518 L HN -0.186 nan 8.230 nan 0.000 0.549 519 F N 3.909 123.796 119.950 -0.105 0.000 2.363 519 F HA 0.541 5.068 4.527 0.001 0.000 0.366 519 F C -2.193 173.555 175.800 -0.088 0.000 1.083 519 F CA -2.410 55.541 58.000 -0.081 0.000 1.176 519 F CB 0.763 39.685 39.000 -0.129 0.000 1.432 519 F HN -0.041 nan 8.300 nan 0.000 0.482 520 P HA 0.123 nan 4.420 nan 0.000 0.260 520 P C -0.550 176.678 177.300 -0.119 0.000 1.651 520 P CA 0.219 63.297 63.100 -0.037 0.000 1.139 520 P CB 0.708 32.384 31.700 -0.040 0.000 1.756 521 c N 3.950 122.397 118.600 -0.255 0.000 2.608 521 c HA 0.304 4.875 4.570 0.000 0.000 0.325 521 c C -0.105 173.634 174.090 -0.585 0.000 1.147 521 c CA -0.651 55.383 56.329 -0.492 0.000 1.359 521 c CB 0.657 42.698 42.510 -0.782 0.000 1.912 521 c HN 0.366 nan 8.230 nan 0.000 0.466 522 N N 3.989 122.470 118.700 -0.365 0.000 2.410 522 N HA 0.215 4.955 4.740 0.000 0.000 0.281 522 N C -0.809 174.557 175.510 -0.241 0.000 1.241 522 N CA 0.404 53.318 53.050 -0.226 0.000 0.998 522 N CB -0.203 38.207 38.487 -0.128 0.000 1.376 522 N HN 0.521 nan 8.380 nan 0.000 0.490 523 F N 0.870 120.784 119.950 -0.060 0.000 2.467 523 F HA 0.124 4.651 4.527 0.001 0.000 0.362 523 F C 1.497 177.268 175.800 -0.048 0.000 1.090 523 F CA -0.604 57.354 58.000 -0.069 0.000 1.202 523 F CB 0.540 39.463 39.000 -0.128 0.000 1.113 523 F HN 0.314 nan 8.300 nan 0.000 0.541 524 S N 3.569 119.378 115.700 0.182 0.000 2.686 524 S HA 0.223 4.693 4.470 0.000 0.000 0.270 524 S C 1.208 175.847 174.600 0.065 0.000 1.194 524 S CA -0.877 57.382 58.200 0.099 0.000 0.990 524 S CB 1.210 64.464 63.200 0.091 0.000 1.029 524 S HN 0.704 nan 8.310 nan 0.000 0.560 525 K N 1.012 121.436 120.400 0.040 0.000 2.211 525 K HA -0.142 4.178 4.320 0.000 0.000 0.203 525 K C 0.932 177.516 176.600 -0.026 0.000 1.050 525 K CA 1.769 58.064 56.287 0.012 0.000 0.945 525 K CB -0.981 31.552 32.500 0.055 0.000 0.732 525 K HN 0.587 nan 8.250 nan 0.000 0.451 526 N N 1.601 120.309 118.700 0.013 0.000 2.216 526 N HA -0.097 4.643 4.740 0.000 0.000 0.183 526 N C 1.234 176.715 175.510 -0.048 0.000 1.017 526 N CA 1.308 54.351 53.050 -0.011 0.000 0.861 526 N CB -0.147 38.354 38.487 0.023 0.000 0.986 526 N HN 0.205 nan 8.380 nan 0.000 0.428 527 D N -0.013 120.422 120.400 0.059 0.000 2.228 527 D HA -0.103 4.537 4.640 0.000 0.000 0.203 527 D C 1.776 178.026 176.300 -0.084 0.000 0.988 527 D CA 0.637 54.748 54.000 0.184 0.000 0.864 527 D CB -0.100 40.928 40.800 0.381 0.000 0.928 527 D HN 0.104 nan 8.370 nan 0.000 0.469 528 V N 1.094 120.849 119.914 -0.264 0.000 2.273 528 V HA -0.186 3.934 4.120 0.000 0.000 0.242 528 V C 2.497 178.266 176.094 -0.541 0.000 1.035 528 V CA 1.327 63.292 62.300 -0.558 0.000 1.013 528 V CB -0.565 30.724 31.823 -0.889 0.000 0.652 528 V HN 0.199 nan 8.190 nan 0.000 0.452 529 M N 0.026 119.385 119.600 -0.402 0.000 2.088 529 M HA -0.270 4.210 4.480 0.000 0.000 0.256 529 M C 2.238 178.416 176.300 -0.203 0.000 1.071 529 M CA 2.362 57.532 55.300 -0.217 0.000 1.097 529 M CB -0.435 32.130 32.600 -0.060 0.000 1.315 529 M HN 0.382 nan 8.290 nan 0.000 0.406 530 L N 0.259 121.372 121.223 -0.185 0.000 2.079 530 L HA -0.156 4.184 4.340 0.000 0.000 0.210 530 L C 2.588 179.360 176.870 -0.163 0.000 1.081 530 L CA 2.229 56.946 54.840 -0.206 0.000 0.752 530 L CB -1.045 40.838 42.059 -0.294 0.000 0.896 530 L HN 0.432 nan 8.230 nan 0.000 0.433 531 S N -1.105 114.525 115.700 -0.117 0.000 2.348 531 S HA -0.176 4.295 4.470 0.000 0.000 0.221 531 S C 2.148 176.584 174.600 -0.274 0.000 1.033 531 S CA 1.228 59.320 58.200 -0.179 0.000 1.010 531 S CB -0.434 62.570 63.200 -0.327 0.000 0.891 531 S HN 0.647 nan 8.310 nan 0.000 0.442 532 A N 0.904 123.520 122.820 -0.340 0.000 1.873 532 A HA -0.091 4.229 4.320 0.000 0.000 0.218 532 A C 2.339 179.865 177.584 -0.096 0.000 1.193 532 A CA 2.037 53.889 52.037 -0.308 0.000 0.629 532 A CB -1.284 17.562 19.000 -0.257 0.000 0.826 532 A HN 0.424 nan 8.150 nan 0.000 0.447 533 V N 0.281 120.079 119.914 -0.193 0.000 2.252 533 V HA -0.295 3.825 4.120 0.000 0.000 0.249 533 V C 2.768 178.783 176.094 -0.132 0.000 1.056 533 V CA 2.305 64.423 62.300 -0.303 0.000 1.022 533 V CB -0.936 30.494 31.823 -0.654 0.000 0.641 533 V HN 0.660 nan 8.190 nan 0.000 0.445 534 V N -2.926 116.927 119.914 -0.102 0.000 2.759 534 V HA -0.227 3.893 4.120 0.000 0.000 0.256 534 V C 2.085 178.175 176.094 -0.007 0.000 1.080 534 V CA 2.020 64.304 62.300 -0.027 0.000 1.101 534 V CB -0.740 30.842 31.823 -0.402 0.000 0.698 534 V HN 0.457 nan 8.190 nan 0.000 0.477 535 M N 1.885 121.462 119.600 -0.038 0.000 2.134 535 M HA -0.067 4.413 4.480 0.000 0.000 0.262 535 M C 2.302 178.696 176.300 0.156 0.000 1.076 535 M CA 2.258 57.590 55.300 0.052 0.000 1.143 535 M CB -0.498 32.183 32.600 0.134 0.000 1.346 535 M HN 0.588 nan 8.290 nan 0.000 0.421 536 T N -2.050 112.586 114.554 0.136 0.000 3.163 536 T HA -0.066 4.284 4.350 0.000 0.000 0.260 536 T C 1.122 175.820 174.700 -0.002 0.000 1.156 536 T CA 0.688 62.782 62.100 -0.010 0.000 1.072 536 T CB -0.410 68.401 68.868 -0.096 0.000 0.937 536 T HN 0.222 nan 8.240 nan 0.000 0.528 537 Y N -0.141 120.258 120.300 0.165 0.000 2.190 537 Y HA 0.270 4.821 4.550 0.001 0.000 0.290 537 Y C 2.425 178.467 175.900 0.236 0.000 1.115 537 Y CA -0.369 57.877 58.100 0.243 0.000 1.107 537 Y CB -0.617 38.116 38.460 0.456 0.000 1.033 537 Y HN 0.148 nan 8.280 nan 0.000 0.502 538 W N 0.945 122.313 121.300 0.114 0.000 2.298 538 W HA -0.342 4.318 4.660 0.000 0.000 0.328 538 W C 2.627 179.133 176.519 -0.022 0.000 1.259 538 W CA 2.615 59.948 57.345 -0.019 0.000 1.251 538 W CB -0.939 28.419 29.460 -0.169 0.000 1.161 538 W HN 0.239 nan 8.180 nan 0.000 0.466 539 T N -2.319 112.332 114.554 0.160 0.000 2.759 539 T HA -0.255 4.095 4.350 0.000 0.000 0.269 539 T C 1.397 176.094 174.700 -0.004 0.000 1.042 539 T CA 1.714 63.825 62.100 0.019 0.000 1.140 539 T CB -1.034 67.810 68.868 -0.039 0.000 0.864 539 T HN 0.247 nan 8.240 nan 0.000 0.455 540 N N -0.068 118.647 118.700 0.026 0.000 2.149 540 N HA -0.066 4.675 4.740 0.000 0.000 0.188 540 N C 1.550 177.053 175.510 -0.012 0.000 1.019 540 N CA 1.335 54.385 53.050 -0.000 0.000 0.857 540 N CB -0.268 38.231 38.487 0.020 0.000 0.997 540 N HN 0.411 nan 8.380 nan 0.000 0.426 541 F N 1.754 121.606 119.950 -0.164 0.000 2.186 541 F HA 0.036 4.564 4.527 0.000 0.000 0.299 541 F C 2.202 177.897 175.800 -0.175 0.000 1.090 541 F CA 0.887 58.740 58.000 -0.246 0.000 1.307 541 F CB -0.324 38.445 39.000 -0.385 0.000 1.019 541 F HN -0.077 nan 8.300 nan 0.000 0.489 542 A N -0.207 122.504 122.820 -0.182 0.000 2.121 542 A HA -0.121 4.199 4.320 0.000 0.000 0.218 542 A C 2.144 179.606 177.584 -0.204 0.000 1.154 542 A CA 1.498 53.398 52.037 -0.227 0.000 0.679 542 A CB -0.521 18.410 19.000 -0.116 0.000 0.795 542 A HN 0.482 nan 8.150 nan 0.000 0.458 543 K N -1.194 119.105 120.400 -0.168 0.000 2.121 543 K HA 0.018 4.338 4.320 0.000 0.000 0.203 543 K C 0.691 177.212 176.600 -0.133 0.000 1.041 543 K CA 1.444 57.658 56.287 -0.121 0.000 0.969 543 K CB 0.248 32.699 32.500 -0.083 0.000 0.799 543 K HN 0.520 nan 8.250 nan 0.000 0.456 544 T N -2.851 111.611 114.554 -0.153 0.000 3.516 544 T HA 0.275 4.625 4.350 0.000 0.000 0.300 544 T C 0.714 175.328 174.700 -0.143 0.000 0.995 544 T CA -0.101 61.929 62.100 -0.118 0.000 0.982 544 T CB 0.829 69.661 68.868 -0.060 0.000 1.199 544 T HN 0.311 nan 8.240 nan 0.000 0.481 545 G N 1.591 110.201 108.800 -0.318 0.000 2.309 545 G HA2 -0.236 3.724 3.960 0.000 0.000 0.286 545 G HA3 -0.236 3.724 3.960 0.000 0.000 0.286 545 G C -0.253 174.633 174.900 -0.023 0.000 1.002 545 G CA 0.605 45.481 45.100 -0.374 0.000 0.786 545 G HN 0.769 nan 8.290 nan 0.000 0.511 546 D N -1.176 119.175 120.400 -0.081 0.000 2.736 546 D HA 0.409 5.050 4.640 0.000 0.000 0.243 546 D C -1.632 174.542 176.300 -0.211 0.000 1.304 546 D CA -1.902 51.977 54.000 -0.202 0.000 0.934 546 D CB 1.735 42.498 40.800 -0.062 0.000 1.382 546 D HN -0.038 nan 8.370 nan 0.000 0.571 547 P HA -0.060 nan 4.420 nan 0.000 0.221 547 P C -0.224 177.181 177.300 0.175 0.000 1.145 547 P CA 0.936 63.894 63.100 -0.237 0.000 0.795 547 P CB 0.114 31.309 31.700 -0.842 0.000 0.775 548 N N -1.049 117.702 118.700 0.085 0.000 2.696 548 N HA 0.185 4.925 4.740 0.000 0.000 0.308 548 N C -0.603 174.937 175.510 0.050 0.000 1.915 548 N CA -0.378 52.749 53.050 0.130 0.000 0.906 548 N CB 0.055 38.693 38.487 0.252 0.000 1.284 548 N HN -0.148 nan 8.380 nan 0.000 0.488 549 Q N 0.464 120.270 119.800 0.010 0.000 2.418 549 Q HA 0.248 4.588 4.340 0.000 0.000 0.240 549 Q C -2.698 173.288 176.000 -0.023 0.000 0.859 549 Q CA -0.761 55.041 55.803 -0.002 0.000 0.916 549 Q CB 3.486 32.227 28.738 0.005 0.000 1.448 549 Q HN 0.229 nan 8.270 nan 0.000 0.439 550 P HA 0.065 nan 4.420 nan 0.000 0.269 550 P C 0.426 177.709 177.300 -0.028 0.000 1.169 550 P CA 0.121 63.209 63.100 -0.020 0.000 0.922 550 P CB 1.247 32.934 31.700 -0.022 0.000 1.245 551 V N 4.214 124.099 119.914 -0.050 0.000 2.506 551 V HA -0.000 4.120 4.120 0.000 0.000 0.296 551 V C -2.043 174.016 176.094 -0.059 0.000 1.004 551 V CA -0.219 62.041 62.300 -0.066 0.000 1.150 551 V CB -0.982 30.777 31.823 -0.106 0.000 0.911 551 V HN 0.110 nan 8.190 nan 0.000 0.476 552 P HA 0.095 nan 4.420 nan 0.000 0.269 552 P C 0.109 177.376 177.300 -0.054 0.000 1.209 552 P CA -0.250 62.834 63.100 -0.027 0.000 0.776 552 P CB 0.373 32.068 31.700 -0.007 0.000 0.876 553 Q N 1.580 121.346 119.800 -0.058 0.000 2.516 553 Q HA 0.029 4.369 4.340 0.000 0.000 0.245 553 Q C 0.023 176.028 176.000 0.009 0.000 0.958 553 Q CA 0.540 56.296 55.803 -0.078 0.000 0.959 553 Q CB -0.944 27.753 28.738 -0.069 0.000 1.403 553 Q HN 0.457 nan 8.270 nan 0.000 0.405 554 D N 0.326 120.729 120.400 0.005 0.000 2.380 554 D HA -0.011 4.629 4.640 0.000 0.000 0.254 554 D C 0.195 176.517 176.300 0.036 0.000 1.288 554 D CA 0.050 54.064 54.000 0.023 0.000 1.008 554 D CB 0.740 41.545 40.800 0.009 0.000 1.099 554 D HN 0.178 nan 8.370 nan 0.000 0.537 555 T N 0.150 114.724 114.554 0.033 0.000 4.216 555 T HA 0.043 4.394 4.350 0.000 0.000 0.221 555 T C 0.996 175.725 174.700 0.048 0.000 0.939 555 T CA -0.264 61.860 62.100 0.040 0.000 1.218 555 T CB -0.162 68.711 68.868 0.009 0.000 1.266 555 T HN 0.205 nan 8.240 nan 0.000 0.917 556 K N 0.503 120.954 120.400 0.085 0.000 2.365 556 K HA 0.120 4.440 4.320 0.000 0.000 0.199 556 K C 0.185 176.907 176.600 0.204 0.000 1.045 556 K CA 0.379 56.748 56.287 0.137 0.000 0.962 556 K CB -0.003 32.599 32.500 0.170 0.000 0.759 556 K HN 0.552 nan 8.250 nan 0.000 0.469 557 F N -0.065 119.881 119.950 -0.008 0.000 2.523 557 F HA 0.219 4.747 4.527 0.001 0.000 0.329 557 F C 1.347 177.138 175.800 -0.016 0.000 1.061 557 F CA -1.046 56.940 58.000 -0.024 0.000 0.967 557 F CB 0.906 39.877 39.000 -0.049 0.000 1.218 557 F HN -0.268 nan 8.300 nan 0.000 0.480 558 I N 1.541 121.689 120.570 -0.703 0.000 2.916 558 I HA -0.106 4.064 4.170 0.000 0.000 0.267 558 I C -0.009 175.980 176.117 -0.213 0.000 1.263 558 I CA 0.905 61.937 61.300 -0.446 0.000 1.471 558 I CB -0.482 37.188 38.000 -0.550 0.000 1.089 558 I HN 0.301 nan 8.210 nan 0.000 0.468 559 H N 0.375 119.427 119.070 -0.030 0.000 3.277 559 H HA 0.341 4.897 4.556 0.000 0.000 0.329 559 H C -1.147 174.242 175.328 0.101 0.000 1.034 559 H CA -0.121 55.950 56.048 0.040 0.000 1.530 559 H CB 1.906 31.689 29.762 0.035 0.000 1.837 559 H HN -0.118 nan 8.280 nan 0.000 0.493 560 T N 3.451 118.094 114.554 0.149 0.000 3.395 560 T HA 0.214 4.565 4.350 0.000 0.000 0.330 560 T C -0.531 174.226 174.700 0.094 0.000 1.076 560 T CA -0.778 61.403 62.100 0.135 0.000 1.070 560 T CB 1.328 70.277 68.868 0.135 0.000 1.119 560 T HN 0.372 nan 8.240 nan 0.000 0.462 561 K N 4.007 124.464 120.400 0.096 0.000 2.188 561 K HA 0.387 4.707 4.320 0.000 0.000 0.246 561 K C -2.168 174.468 176.600 0.060 0.000 1.026 561 K CA -1.107 55.222 56.287 0.071 0.000 0.871 561 K CB -0.071 32.468 32.500 0.065 0.000 1.042 561 K HN 0.388 nan 8.250 nan 0.000 0.509 562 P HA -0.236 nan 4.420 nan 0.000 0.224 562 P C -0.915 176.418 177.300 0.056 0.000 1.015 562 P CA 0.571 63.696 63.100 0.042 0.000 0.910 562 P CB -0.378 31.340 31.700 0.030 0.000 0.849 563 N N 4.398 123.140 118.700 0.070 0.000 2.394 563 N HA -0.071 4.670 4.740 0.000 0.000 0.288 563 N C 1.180 176.762 175.510 0.120 0.000 1.272 563 N CA -0.092 53.022 53.050 0.107 0.000 1.004 563 N CB 0.284 38.837 38.487 0.110 0.000 1.393 563 N HN 0.097 nan 8.380 nan 0.000 0.488 564 R N 2.552 123.109 120.500 0.095 0.000 2.303 564 R HA -0.140 4.200 4.340 0.000 0.000 0.225 564 R C 1.007 177.270 176.300 -0.062 0.000 1.114 564 R CA 0.758 56.854 56.100 -0.006 0.000 1.007 564 R CB -0.444 29.808 30.300 -0.079 0.000 0.861 564 R HN 0.547 nan 8.270 nan 0.000 0.471 565 F N 0.837 120.823 119.950 0.060 0.000 2.473 565 F HA 0.035 4.562 4.527 0.000 0.000 0.294 565 F C 2.476 178.334 175.800 0.097 0.000 1.103 565 F CA 0.533 58.594 58.000 0.102 0.000 1.442 565 F CB -0.033 39.041 39.000 0.122 0.000 1.097 565 F HN 0.066 nan 8.300 nan 0.000 0.547 566 E N 0.475 120.807 120.200 0.220 0.000 2.204 566 E HA -0.196 4.155 4.350 0.000 0.000 0.195 566 E C 1.314 177.981 176.600 0.111 0.000 0.990 566 E CA 0.916 57.401 56.400 0.141 0.000 0.821 566 E CB 0.068 29.825 29.700 0.096 0.000 0.750 566 E HN 0.250 nan 8.360 nan 0.000 0.477 567 E N 0.131 120.381 120.200 0.082 0.000 2.476 567 E HA 0.054 4.404 4.350 0.000 0.000 0.191 567 E C -0.637 175.993 176.600 0.049 0.000 1.064 567 E CA 0.073 56.502 56.400 0.048 0.000 0.866 567 E CB 0.890 30.597 29.700 0.012 0.000 0.952 567 E HN 0.001 nan 8.360 nan 0.000 0.492 568 V N 1.482 121.455 119.914 0.099 0.000 2.483 568 V HA 0.194 4.315 4.120 0.000 0.000 0.297 568 V C -0.230 176.005 176.094 0.234 0.000 1.027 568 V CA -0.966 61.407 62.300 0.122 0.000 0.855 568 V CB 2.096 33.956 31.823 0.062 0.000 0.995 568 V HN -0.081 nan 8.190 nan 0.000 0.424 569 V N 1.853 121.895 119.914 0.213 0.000 2.333 569 V HA 0.461 4.581 4.120 0.000 0.000 0.274 569 V C -0.366 175.947 176.094 0.364 0.000 1.028 569 V CA -0.828 61.640 62.300 0.281 0.000 0.851 569 V CB 1.002 32.949 31.823 0.206 0.000 1.000 569 V HN 0.871 nan 8.190 nan 0.000 0.456 570 W N 4.689 126.128 121.300 0.232 0.000 2.529 570 W HA 0.469 5.129 4.660 0.000 0.000 0.319 570 W C 0.213 176.914 176.519 0.303 0.000 1.362 570 W CA -0.224 57.253 57.345 0.221 0.000 1.348 570 W CB 0.470 30.021 29.460 0.151 0.000 1.403 570 W HN 0.684 nan 8.180 nan 0.000 0.519 571 S N 5.010 121.125 115.700 0.692 0.000 2.672 571 S HA 0.338 4.808 4.470 0.000 0.000 0.276 571 S C -0.027 174.805 174.600 0.387 0.000 1.207 571 S CA -0.753 57.721 58.200 0.456 0.000 1.002 571 S CB 1.155 64.520 63.200 0.275 0.000 0.998 571 S HN 0.261 nan 8.310 nan 0.000 0.542 572 K N 1.388 121.821 120.400 0.056 0.000 2.412 572 K HA 0.068 4.388 4.320 0.000 0.000 0.281 572 K C -0.535 176.085 176.600 0.033 0.000 1.027 572 K CA 0.147 56.262 56.287 -0.287 0.000 0.989 572 K CB 0.199 32.515 32.500 -0.307 0.000 0.935 572 K HN 0.506 nan 8.250 nan 0.000 0.475 573 F N 5.079 125.014 119.950 -0.026 0.000 2.466 573 F HA 0.029 4.556 4.527 0.000 0.000 0.363 573 F C 0.327 176.157 175.800 0.050 0.000 1.109 573 F CA -0.572 57.489 58.000 0.102 0.000 1.161 573 F CB 0.047 39.191 39.000 0.240 0.000 1.117 573 F HN 0.544 nan 8.300 nan 0.000 0.539 574 N N 2.402 120.836 118.700 -0.443 0.000 2.477 574 N HA 0.288 5.029 4.740 0.000 0.000 0.284 574 N C 0.394 175.504 175.510 -0.666 0.000 1.182 574 N CA -0.418 52.392 53.050 -0.399 0.000 0.949 574 N CB 1.447 39.818 38.487 -0.193 0.000 1.204 574 N HN 0.383 nan 8.380 nan 0.000 0.526 575 S N -0.215 115.275 115.700 -0.349 0.000 2.370 575 S HA -0.198 4.272 4.470 0.000 0.000 0.226 575 S C 1.463 175.936 174.600 -0.212 0.000 1.033 575 S CA 1.359 59.411 58.200 -0.246 0.000 1.011 575 S CB -0.429 62.721 63.200 -0.083 0.000 0.852 575 S HN 0.716 nan 8.310 nan 0.000 0.457 576 K N 2.013 122.310 120.400 -0.172 0.000 1.975 576 K HA 0.018 4.338 4.320 0.000 0.000 0.210 576 K C 0.106 176.640 176.600 -0.111 0.000 1.041 576 K CA 1.130 57.353 56.287 -0.106 0.000 0.942 576 K CB -0.369 32.088 32.500 -0.073 0.000 0.729 576 K HN 0.291 nan 8.250 nan 0.000 0.439 577 E N 1.890 122.012 120.200 -0.129 0.000 2.105 577 E HA 0.078 4.428 4.350 0.000 0.000 0.285 577 E C -0.681 175.831 176.600 -0.148 0.000 1.055 577 E CA -0.236 56.112 56.400 -0.086 0.000 0.843 577 E CB 0.949 30.620 29.700 -0.048 0.000 1.067 577 E HN 0.094 nan 8.360 nan 0.000 0.398 578 K N 3.509 123.884 120.400 -0.041 0.000 3.233 578 K HA 0.010 4.330 4.320 0.000 0.000 0.283 578 K C -0.171 176.648 176.600 0.366 0.000 1.209 578 K CA 0.069 56.410 56.287 0.091 0.000 1.197 578 K CB -0.254 32.412 32.500 0.277 0.000 1.431 578 K HN 0.526 nan 8.250 nan 0.000 0.326 579 Q N 1.493 121.448 119.800 0.257 0.000 2.255 579 Q HA -0.002 4.338 4.340 0.000 0.000 0.280 579 Q C -0.410 175.894 176.000 0.506 0.000 1.068 579 Q CA 0.475 56.455 55.803 0.295 0.000 0.911 579 Q CB 0.116 28.966 28.738 0.186 0.000 1.157 579 Q HN 0.337 nan 8.270 nan 0.000 0.380 580 Y N -0.016 120.445 120.300 0.268 0.000 2.562 580 Y HA 0.601 5.151 4.550 0.000 0.000 0.343 580 Y C -1.230 174.749 175.900 0.131 0.000 1.025 580 Y CA -1.531 56.739 58.100 0.283 0.000 1.082 580 Y CB 1.093 39.638 38.460 0.141 0.000 1.264 580 Y HN 0.408 nan 8.280 nan 0.000 0.478 581 L N 4.545 125.807 121.223 0.065 0.000 2.265 581 L HA 0.250 4.590 4.340 0.000 0.000 0.289 581 L C -0.553 176.295 176.870 -0.037 0.000 1.033 581 L CA -0.398 54.215 54.840 -0.378 0.000 0.814 581 L CB 0.490 41.643 42.059 -1.509 0.000 1.203 581 L HN 0.919 nan 8.230 nan 0.000 0.423 582 H N 7.194 126.207 119.070 -0.095 0.000 3.109 582 H HA 0.203 4.760 4.556 0.000 0.000 0.266 582 H C -0.386 174.925 175.328 -0.029 0.000 1.334 582 H CA -0.286 55.781 56.048 0.032 0.000 1.456 582 H CB 0.134 29.857 29.762 -0.065 0.000 1.587 582 H HN 0.524 nan 8.280 nan 0.000 0.500 583 I N 5.173 125.735 120.570 -0.013 0.000 2.363 583 I HA 0.280 4.450 4.170 0.000 0.000 0.292 583 I C 1.033 177.122 176.117 -0.047 0.000 1.075 583 I CA 0.231 61.586 61.300 0.091 0.000 1.333 583 I CB 0.910 38.977 38.000 0.113 0.000 1.415 583 I HN 0.624 nan 8.210 nan 0.000 0.502 584 G N 4.996 113.849 108.800 0.088 0.000 2.435 584 G HA2 0.254 4.215 3.960 0.000 0.000 0.296 584 G HA3 0.254 4.215 3.960 0.000 0.000 0.296 584 G C 0.101 175.039 174.900 0.064 0.000 1.240 584 G CA -0.648 44.456 45.100 0.007 0.000 0.872 584 G HN 0.207 nan 8.290 nan 0.000 0.480 585 L N -0.445 120.816 121.223 0.063 0.000 2.093 585 L HA 0.244 4.585 4.340 0.000 0.000 0.208 585 L C 1.287 178.158 176.870 0.002 0.000 1.085 585 L CA 1.385 56.252 54.840 0.046 0.000 0.755 585 L CB -0.804 41.304 42.059 0.082 0.000 0.904 585 L HN 0.286 nan 8.230 nan 0.000 0.435 586 K N 1.292 121.684 120.400 -0.014 0.000 2.533 586 K HA 0.295 4.615 4.320 0.000 0.000 0.207 586 K C -2.301 174.192 176.600 -0.178 0.000 1.052 586 K CA -1.758 54.468 56.287 -0.103 0.000 1.030 586 K CB 1.358 33.806 32.500 -0.086 0.000 1.522 586 K HN 0.037 nan 8.250 nan 0.000 0.543 587 P HA 0.083 nan 4.420 nan 0.000 0.269 587 P C -0.690 176.430 177.300 -0.300 0.000 1.209 587 P CA -0.108 62.764 63.100 -0.380 0.000 0.776 587 P CB 0.653 31.702 31.700 -1.085 0.000 0.876 588 R N -0.139 120.227 120.500 -0.223 0.000 2.604 588 R HA 0.509 4.849 4.340 0.000 0.000 0.270 588 R C -0.890 175.283 176.300 -0.211 0.000 1.052 588 R CA -1.179 54.792 56.100 -0.215 0.000 0.902 588 R CB 0.755 30.904 30.300 -0.253 0.000 1.233 588 R HN 0.136 nan 8.270 nan 0.000 0.455 589 V N 0.230 120.042 119.914 -0.170 0.000 2.352 589 V HA 0.465 4.586 4.120 0.000 0.000 0.253 589 V C 0.083 176.034 176.094 -0.239 0.000 1.083 589 V CA -0.522 61.676 62.300 -0.169 0.000 0.993 589 V CB -0.088 31.713 31.823 -0.037 0.000 1.111 589 V HN 0.710 nan 8.190 nan 0.000 0.490 590 R N 3.287 123.491 120.500 -0.494 0.000 2.668 590 R HA 0.545 4.885 4.340 0.000 0.000 0.279 590 R C 0.434 176.496 176.300 -0.398 0.000 0.976 590 R CA -0.056 55.747 56.100 -0.495 0.000 0.978 590 R CB 1.651 31.606 30.300 -0.575 0.000 1.133 590 R HN 0.847 nan 8.270 nan 0.000 0.484 591 D N -0.702 119.661 120.400 -0.061 0.000 2.433 591 D HA 0.173 4.813 4.640 0.000 0.000 0.211 591 D C -0.827 175.600 176.300 0.212 0.000 1.114 591 D CA -0.292 53.759 54.000 0.086 0.000 0.837 591 D CB 0.197 41.023 40.800 0.043 0.000 0.984 591 D HN 0.422 nan 8.370 nan 0.000 0.505 592 N N -0.198 118.707 118.700 0.343 0.000 2.752 592 N HA 0.134 4.874 4.740 0.000 0.000 0.268 592 N C -2.151 173.583 175.510 0.375 0.000 1.190 592 N CA -0.601 52.639 53.050 0.317 0.000 0.897 592 N CB 1.041 39.632 38.487 0.172 0.000 1.515 592 N HN 0.095 nan 8.380 nan 0.000 0.567 593 Y N 3.077 123.422 120.300 0.074 0.000 2.404 593 Y HA 0.297 4.847 4.550 0.001 0.000 0.344 593 Y C 0.656 176.529 175.900 -0.046 0.000 0.995 593 Y CA -0.029 57.945 58.100 -0.209 0.000 1.201 593 Y CB 0.418 38.402 38.460 -0.794 0.000 1.151 593 Y HN 0.458 nan 8.280 nan 0.000 0.517 594 R N 3.150 123.371 120.500 -0.465 0.000 3.722 594 R HA -0.303 4.038 4.340 0.000 0.000 0.284 594 R C 1.283 177.538 176.300 -0.075 0.000 1.165 594 R CA 0.701 56.600 56.100 -0.335 0.000 0.779 594 R CB -2.059 27.937 30.300 -0.506 0.000 1.179 594 R HN 0.852 nan 8.270 nan 0.000 0.491 595 A N 1.123 123.939 122.820 -0.008 0.000 1.896 595 A HA -0.370 3.950 4.320 0.000 0.000 0.220 595 A C 2.005 179.627 177.584 0.063 0.000 1.206 595 A CA 2.219 54.289 52.037 0.055 0.000 0.647 595 A CB -0.499 18.541 19.000 0.067 0.000 0.828 595 A HN 0.576 nan 8.150 nan 0.000 0.455 596 N N -0.041 118.677 118.700 0.030 0.000 2.018 596 N HA -0.205 4.535 4.740 0.000 0.000 0.196 596 N C 1.588 177.122 175.510 0.039 0.000 1.043 596 N CA 2.312 55.373 53.050 0.018 0.000 0.856 596 N CB -0.214 38.255 38.487 -0.031 0.000 1.042 596 N HN 0.495 nan 8.380 nan 0.000 0.423 597 K N -0.094 120.322 120.400 0.026 0.000 2.217 597 K HA 0.036 4.356 4.320 0.000 0.000 0.202 597 K C 2.110 178.925 176.600 0.358 0.000 1.051 597 K CA 0.531 56.877 56.287 0.099 0.000 0.952 597 K CB -0.531 32.029 32.500 0.099 0.000 0.736 597 K HN 0.147 nan 8.250 nan 0.000 0.453 598 V N 1.979 122.058 119.914 0.275 0.000 2.323 598 V HA -0.142 3.978 4.120 0.000 0.000 0.244 598 V C 2.357 178.629 176.094 0.295 0.000 1.041 598 V CA 1.966 64.457 62.300 0.318 0.000 1.025 598 V CB -0.678 31.268 31.823 0.206 0.000 0.656 598 V HN 0.326 nan 8.190 nan 0.000 0.451 599 A N -1.124 121.820 122.820 0.206 0.000 2.239 599 A HA -0.096 4.225 4.320 0.000 0.000 0.209 599 A C 1.908 179.587 177.584 0.160 0.000 1.171 599 A CA 0.907 53.042 52.037 0.164 0.000 0.768 599 A CB -0.645 18.428 19.000 0.121 0.000 0.790 599 A HN 0.574 nan 8.150 nan 0.000 0.478 600 F N -1.287 118.669 119.950 0.011 0.000 2.234 600 F HA -0.009 4.518 4.527 0.000 0.000 0.296 600 F C 1.633 177.346 175.800 -0.145 0.000 1.089 600 F CA 1.083 58.999 58.000 -0.140 0.000 1.343 600 F CB -0.291 38.515 39.000 -0.323 0.000 1.040 600 F HN 0.374 nan 8.300 nan 0.000 0.498 601 W N 0.098 121.364 121.300 -0.056 0.000 2.576 601 W HA 0.108 4.769 4.660 0.000 0.000 0.275 601 W C 1.987 178.463 176.519 -0.071 0.000 1.241 601 W CA 0.553 57.826 57.345 -0.121 0.000 1.328 601 W CB -0.083 29.450 29.460 0.121 0.000 1.092 601 W HN -0.060 nan 8.180 nan 0.000 0.586 602 L N -0.536 120.811 121.223 0.207 0.000 2.298 602 L HA 0.029 4.369 4.340 0.000 0.000 0.209 602 L C 2.219 179.129 176.870 0.066 0.000 1.084 602 L CA 0.800 55.719 54.840 0.133 0.000 0.816 602 L CB -0.360 41.786 42.059 0.144 0.000 0.967 602 L HN -0.094 nan 8.230 nan 0.000 0.460 603 E N -0.178 120.057 120.200 0.058 0.000 2.110 603 E HA -0.038 4.312 4.350 0.000 0.000 0.193 603 E C 1.922 178.590 176.600 0.114 0.000 0.950 603 E CA 0.602 57.050 56.400 0.081 0.000 0.840 603 E CB 0.040 29.800 29.700 0.101 0.000 0.809 603 E HN 0.168 nan 8.360 nan 0.000 0.465 604 L N 1.111 122.345 121.223 0.018 0.000 2.249 604 L HA 0.019 4.360 4.340 0.000 0.000 0.207 604 L C 2.153 178.973 176.870 -0.083 0.000 1.090 604 L CA 0.849 55.712 54.840 0.038 0.000 0.802 604 L CB -0.078 41.975 42.059 -0.010 0.000 0.947 604 L HN -0.142 nan 8.230 nan 0.000 0.453 605 V N 0.931 120.668 119.914 -0.295 0.000 2.407 605 V HA -0.140 3.980 4.120 0.000 0.000 0.248 605 V C -0.368 175.622 176.094 -0.173 0.000 1.055 605 V CA 1.799 63.916 62.300 -0.305 0.000 1.049 605 V CB -1.716 29.905 31.823 -0.337 0.000 0.662 605 V HN 0.370 nan 8.190 nan 0.000 0.455 606 P HA -0.099 nan 4.420 nan 0.000 0.228 606 P C 0.893 178.019 177.300 -0.291 0.000 1.151 606 P CA 1.272 64.244 63.100 -0.214 0.000 0.770 606 P CB -0.176 31.373 31.700 -0.252 0.000 0.786 607 H N -2.087 116.932 119.070 -0.086 0.000 2.539 607 H HA 0.219 4.775 4.556 0.000 0.000 0.269 607 H C 0.839 176.120 175.328 -0.078 0.000 0.980 607 H CA -0.057 55.949 56.048 -0.070 0.000 1.152 607 H CB -0.155 29.573 29.762 -0.057 0.000 1.407 607 H HN 0.101 nan 8.280 nan 0.000 0.564 608 L N 0.000 121.205 121.223 -0.030 0.000 2.949 608 L HA 0.000 4.340 4.340 0.000 0.000 0.249 608 L CA 0.000 54.807 54.840 -0.055 0.000 0.813 608 L CB 0.000 42.010 42.059 -0.081 0.000 0.961 608 L HN 0.000 nan 8.230 nan 0.000 0.502