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 3lsm_1_A DATA FIRST_RESID 45 DATA SEQUENCE IKYDVVIVGS GPIGCTYARE LVGAGYKVAM FDIGEIDSGL KIGAHKKNTV DATA SEQUENCE EYQKNIDKFV NVIQGQLMSV SVPVNTLVVD TLSPTSWQAS TFFVRNGSNP DATA SEQUENCE EQDPLRNLSG QAVTRVVGGM STAWTCATPR FDREQRPLLV KDDADADDAE DATA SEQUENCE WDRLYTKAES YFQTGTDQFK ESIRHNLVLN KLTEEYKGQR DFQQIPLAAT DATA SEQUENCE RRSPTFVEWS SANTVFDLQN RPNTDAPEER FNLFPAVACE RVVRNALNSE DATA SEQUENCE IESLHIHDLI SGDRFEIKAD VYVLTAGAVH NTQLLVNSGF GQLGRPNPAN DATA SEQUENCE PPELLPSLGS YITEQSLVFC QTVMSTELID SVKSDMTIRG TPGELTYSVT DATA SEQUENCE YTPGASTNKH PDWWNEKVKN HMMQHQEDPL PIPFEDPEPQ VTTLFQPSHP DATA SEQUENCE WHTQIHRDAF SYGAVQQSID SRLIVDWRFF GRTEPKEENK LWFSDKITDA DATA SEQUENCE YNMPQPTFDF RFPAGRTSKE AEDMMTDMCV MSAKIGGFLP GSLPQFMEPG DATA SEQUENCE LVLHLGGTHR MGFDEKEDNC CVNTDSRVFG FKNLFLGGCG NIPTAYGANP DATA SEQUENCE TLTAMSLAIK SCEYIKQNFT PSPF 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 45 I HA 0.000 nan 4.170 nan 0.000 0.288 45 I C 0.000 176.046 176.117 -0.119 0.000 1.063 45 I CA 0.000 61.233 61.300 -0.111 0.000 1.566 45 I CB 0.000 37.949 38.000 -0.085 0.000 1.214 46 K N 1.444 121.661 120.400 -0.304 0.000 2.270 46 K HA 0.658 4.983 4.320 0.009 0.000 0.255 46 K C -2.012 174.294 176.600 -0.489 0.000 0.936 46 K CA -0.287 55.862 56.287 -0.230 0.000 0.809 46 K CB 1.275 33.708 32.500 -0.112 0.000 1.131 46 K HN 0.353 nan 8.250 nan 0.000 0.427 47 Y N 1.124 121.417 120.300 -0.012 0.000 2.605 47 Y HA 0.264 4.819 4.550 0.009 0.000 0.343 47 Y C 0.593 176.471 175.900 -0.037 0.000 1.036 47 Y CA -0.716 57.369 58.100 -0.025 0.000 1.065 47 Y CB 2.012 40.459 38.460 -0.022 0.000 1.288 47 Y HN 0.657 nan 8.280 nan 0.000 0.481 48 D N 0.135 120.623 120.400 0.147 0.000 2.103 48 D HA 0.018 4.664 4.640 0.009 0.000 0.199 48 D C -0.280 176.017 176.300 -0.005 0.000 0.978 48 D CA 1.457 55.526 54.000 0.114 0.000 0.829 48 D CB 0.255 41.206 40.800 0.252 0.000 0.981 48 D HN 0.104 nan 8.370 nan 0.000 0.464 49 V N 1.175 121.076 119.914 -0.022 0.000 2.638 49 V HA 0.388 4.513 4.120 0.009 0.000 0.306 49 V C -0.277 175.728 176.094 -0.148 0.000 1.052 49 V CA -1.038 61.161 62.300 -0.167 0.000 0.885 49 V CB 2.456 34.154 31.823 -0.208 0.000 0.999 49 V HN -0.007 nan 8.190 nan 0.000 0.424 50 V N 2.917 122.701 119.914 -0.217 0.000 2.495 50 V HA 0.743 4.868 4.120 0.009 0.000 0.298 50 V C -0.656 175.392 176.094 -0.076 0.000 1.031 50 V CA -0.603 61.632 62.300 -0.108 0.000 0.871 50 V CB 1.697 33.524 31.823 0.008 0.000 0.988 50 V HN 0.689 nan 8.190 nan 0.000 0.432 51 I N 4.343 124.895 120.570 -0.031 0.000 2.406 51 I HA 0.484 4.659 4.170 0.009 0.000 0.290 51 I C -0.511 175.642 176.117 0.059 0.000 0.999 51 I CA -0.967 60.299 61.300 -0.056 0.000 1.124 51 I CB 2.227 40.176 38.000 -0.086 0.000 1.289 51 I HN 0.445 nan 8.210 nan 0.000 0.441 52 V N 5.558 125.486 119.914 0.024 0.000 2.348 52 V HA 0.744 4.870 4.120 0.009 0.000 0.270 52 V C 0.486 176.591 176.094 0.018 0.000 1.037 52 V CA -0.274 62.059 62.300 0.056 0.000 0.872 52 V CB 0.426 32.255 31.823 0.011 0.000 1.002 52 V HN 1.070 nan 8.190 nan 0.000 0.464 53 G N 4.011 112.837 108.800 0.043 0.000 3.067 53 G HA2 -0.045 3.920 3.960 0.009 0.000 0.686 53 G HA3 -0.045 3.920 3.960 0.009 0.000 0.686 53 G C 0.012 174.931 174.900 0.031 0.000 1.119 53 G CA -0.239 44.877 45.100 0.028 0.000 0.790 53 G HN 1.293 nan 8.290 nan 0.000 0.605 54 S N 1.194 116.915 115.700 0.035 0.000 2.574 54 S HA 0.591 5.067 4.470 0.009 0.000 0.242 54 S C 1.384 176.001 174.600 0.029 0.000 0.982 54 S CA 0.757 58.985 58.200 0.047 0.000 0.977 54 S CB 0.593 63.830 63.200 0.061 0.000 0.814 54 S HN 1.921 nan 8.310 nan 0.000 0.464 55 G N 2.708 111.516 108.800 0.014 0.000 2.525 55 G HA2 0.365 4.330 3.960 0.009 0.000 0.276 55 G HA3 0.365 4.330 3.960 0.009 0.000 0.276 55 G C -1.234 173.654 174.900 -0.019 0.000 1.388 55 G CA -1.089 44.005 45.100 -0.010 0.000 1.050 55 G HN 0.269 nan 8.290 nan 0.000 0.520 56 P HA -0.017 nan 4.420 nan 0.000 0.221 56 P C 1.711 178.971 177.300 -0.066 0.000 1.150 56 P CA 0.638 63.701 63.100 -0.061 0.000 0.800 56 P CB 0.207 31.880 31.700 -0.045 0.000 0.787 57 I N 0.249 120.810 120.570 -0.014 0.000 2.277 57 I HA -0.022 4.153 4.170 0.009 0.000 0.243 57 I C 2.715 178.896 176.117 0.108 0.000 1.094 57 I CA 1.509 62.831 61.300 0.036 0.000 1.393 57 I CB -2.337 35.708 38.000 0.075 0.000 1.078 57 I HN -0.010 nan 8.210 nan 0.000 0.417 58 G N 0.556 109.401 108.800 0.075 0.000 2.505 58 G HA2 -0.281 3.685 3.960 0.009 0.000 0.220 58 G HA3 -0.281 3.685 3.960 0.009 0.000 0.220 58 G C 1.762 176.670 174.900 0.015 0.000 1.145 58 G CA 1.244 46.378 45.100 0.056 0.000 0.761 58 G HN 0.423 nan 8.290 nan 0.000 0.571 59 C N 0.495 119.779 119.300 -0.026 0.000 2.448 59 C HA 0.058 4.524 4.460 0.009 0.000 0.280 59 C C 3.176 178.054 174.990 -0.186 0.000 1.398 59 C CA 1.314 60.277 59.018 -0.092 0.000 1.774 59 C CB -0.960 26.770 27.740 -0.016 0.000 1.888 59 C HN 0.468 nan 8.230 nan 0.000 0.519 60 T N 0.025 114.495 114.554 -0.140 0.000 2.737 60 T HA -0.157 4.199 4.350 0.009 0.000 0.265 60 T C 1.447 176.005 174.700 -0.237 0.000 1.038 60 T CA 1.573 63.556 62.100 -0.196 0.000 1.144 60 T CB -0.408 68.363 68.868 -0.162 0.000 0.866 60 T HN 0.561 nan 8.240 nan 0.000 0.434 61 Y N 1.527 121.695 120.300 -0.219 0.000 2.165 61 Y HA -0.062 4.493 4.550 0.009 0.000 0.286 61 Y C 2.750 178.441 175.900 -0.348 0.000 1.155 61 Y CA 0.920 58.869 58.100 -0.252 0.000 1.164 61 Y CB -0.638 37.693 38.460 -0.217 0.000 0.978 61 Y HN 0.202 nan 8.280 nan 0.000 0.513 62 A N 0.115 122.759 122.820 -0.294 0.000 1.877 62 A HA -0.215 4.111 4.320 0.009 0.000 0.216 62 A C 2.279 179.300 177.584 -0.939 0.000 1.186 62 A CA 1.738 53.350 52.037 -0.708 0.000 0.620 62 A CB -0.737 17.573 19.000 -1.150 0.000 0.822 62 A HN 0.418 nan 8.150 nan 0.000 0.443 63 R N -0.306 119.711 120.500 -0.805 0.000 2.080 63 R HA -0.178 4.168 4.340 0.009 0.000 0.236 63 R C 2.109 178.203 176.300 -0.344 0.000 1.137 63 R CA 1.855 57.619 56.100 -0.559 0.000 0.943 63 R CB -0.309 29.673 30.300 -0.530 0.000 0.846 63 R HN 0.585 nan 8.270 nan 0.000 0.431 64 E N 0.380 120.413 120.200 -0.278 0.000 2.058 64 E HA -0.210 4.146 4.350 0.009 0.000 0.194 64 E C 2.131 178.671 176.600 -0.101 0.000 0.997 64 E CA 1.480 57.794 56.400 -0.143 0.000 0.801 64 E CB -0.116 29.495 29.700 -0.149 0.000 0.746 64 E HN 0.439 nan 8.360 nan 0.000 0.450 65 L N 0.229 121.362 121.223 -0.150 0.000 2.202 65 L HA -0.055 4.291 4.340 0.009 0.000 0.205 65 L C 2.555 179.466 176.870 0.068 0.000 1.083 65 L CA 0.224 55.023 54.840 -0.068 0.000 0.790 65 L CB -0.290 41.615 42.059 -0.256 0.000 0.942 65 L HN -0.060 nan 8.230 nan 0.000 0.452 66 V N 0.726 120.591 119.914 -0.081 0.000 2.332 66 V HA -0.219 3.906 4.120 0.009 0.000 0.248 66 V C 2.653 178.776 176.094 0.048 0.000 1.055 66 V CA 2.120 64.416 62.300 -0.006 0.000 1.038 66 V CB -1.305 30.442 31.823 -0.126 0.000 0.651 66 V HN 0.570 nan 8.190 nan 0.000 0.450 67 G N -0.488 108.315 108.800 0.005 0.000 2.432 67 G HA2 -0.134 3.832 3.960 0.009 0.000 0.219 67 G HA3 -0.134 3.832 3.960 0.009 0.000 0.219 67 G C 1.379 176.315 174.900 0.060 0.000 1.135 67 G CA 0.823 45.943 45.100 0.034 0.000 0.767 67 G HN 0.657 nan 8.290 nan 0.000 0.550 68 A N -0.406 122.476 122.820 0.102 0.000 2.337 68 A HA 0.511 4.836 4.320 0.009 0.000 0.227 68 A C 1.828 179.433 177.584 0.035 0.000 1.259 68 A CA 1.069 53.174 52.037 0.113 0.000 0.870 68 A CB -0.472 18.660 19.000 0.219 0.000 0.927 68 A HN 1.536 nan 8.150 nan 0.000 0.497 69 G N -1.976 106.854 108.800 0.049 0.000 2.157 69 G HA2 -0.286 3.680 3.960 0.009 0.000 0.248 69 G HA3 -0.286 3.680 3.960 0.009 0.000 0.248 69 G C -0.044 174.807 174.900 -0.081 0.000 0.979 69 G CA 0.191 45.283 45.100 -0.013 0.000 0.650 69 G HN 0.432 nan 8.290 nan 0.000 0.529 70 Y N 0.432 120.736 120.300 0.007 0.000 2.336 70 Y HA 0.435 4.991 4.550 0.009 0.000 0.331 70 Y C 1.095 176.990 175.900 -0.009 0.000 1.211 70 Y CA 0.046 58.144 58.100 -0.003 0.000 1.346 70 Y CB 0.805 39.255 38.460 -0.017 0.000 1.271 70 Y HN 0.076 nan 8.280 nan 0.000 0.538 71 K N 3.010 123.488 120.400 0.130 0.000 2.292 71 K HA 0.400 4.726 4.320 0.009 0.000 0.290 71 K C -1.540 175.167 176.600 0.179 0.000 1.083 71 K CA -0.117 56.225 56.287 0.092 0.000 0.918 71 K CB 0.039 32.556 32.500 0.029 0.000 1.089 71 K HN 0.490 nan 8.250 nan 0.000 0.473 72 V N 3.042 123.041 119.914 0.141 0.000 2.628 72 V HA 0.639 4.765 4.120 0.009 0.000 0.306 72 V C -0.419 175.566 176.094 -0.182 0.000 1.045 72 V CA -0.924 61.407 62.300 0.053 0.000 0.905 72 V CB 1.559 33.461 31.823 0.131 0.000 0.997 72 V HN 0.897 nan 8.190 nan 0.000 0.436 73 A N 5.356 127.910 122.820 -0.445 0.000 2.365 73 A HA 0.948 5.274 4.320 0.009 0.000 0.318 73 A C -0.754 176.489 177.584 -0.569 0.000 1.091 73 A CA -0.617 50.932 52.037 -0.813 0.000 0.763 73 A CB 1.712 19.900 19.000 -1.354 0.000 1.248 73 A HN 0.909 nan 8.150 nan 0.000 0.442 74 M N 2.087 121.264 119.600 -0.705 0.000 2.395 74 M HA 0.766 5.251 4.480 0.009 0.000 0.307 74 M C -2.203 173.757 176.300 -0.567 0.000 1.091 74 M CA -0.456 54.619 55.300 -0.375 0.000 0.919 74 M CB 1.363 33.938 32.600 -0.043 0.000 1.662 74 M HN 0.602 nan 8.290 nan 0.000 0.440 75 F N 2.212 122.160 119.950 -0.003 0.000 2.520 75 F HA 0.537 5.069 4.527 0.009 0.000 0.322 75 F C -0.250 175.553 175.800 0.004 0.000 1.103 75 F CA -0.557 57.462 58.000 0.033 0.000 0.926 75 F CB 1.555 40.561 39.000 0.010 0.000 1.154 75 F HN 0.455 nan 8.300 nan 0.000 0.453 76 D N 2.889 123.378 120.400 0.149 0.000 2.780 76 D HA 0.250 4.895 4.640 0.009 0.000 0.242 76 D C 0.559 176.883 176.300 0.039 0.000 1.135 76 D CA -0.351 53.690 54.000 0.068 0.000 0.859 76 D CB 2.562 43.383 40.800 0.036 0.000 1.530 76 D HN 0.654 nan 8.370 nan 0.000 0.493 77 I N 1.906 122.450 120.570 -0.043 0.000 2.493 77 I HA 0.031 4.207 4.170 0.009 0.000 0.254 77 I C 1.122 177.186 176.117 -0.088 0.000 1.160 77 I CA 0.807 62.031 61.300 -0.127 0.000 1.445 77 I CB 0.150 37.950 38.000 -0.333 0.000 1.086 77 I HN 0.333 nan 8.210 nan 0.000 0.433 78 G N -0.078 108.691 108.800 -0.051 0.000 2.537 78 G HA2 0.406 4.371 3.960 0.009 0.000 0.297 78 G HA3 0.406 4.371 3.960 0.009 0.000 0.297 78 G C -0.851 174.060 174.900 0.019 0.000 1.310 78 G CA -0.438 44.658 45.100 -0.007 0.000 1.027 78 G HN 0.305 nan 8.290 nan 0.000 0.505 79 E N -1.366 118.851 120.200 0.029 0.000 2.299 79 E HA 0.386 4.741 4.350 0.009 0.000 0.260 79 E C -0.412 176.208 176.600 0.033 0.000 0.944 79 E CA -0.776 55.645 56.400 0.034 0.000 0.815 79 E CB 2.440 32.163 29.700 0.039 0.000 1.252 79 E HN 0.265 nan 8.360 nan 0.000 0.418 80 I N 1.461 122.050 120.570 0.031 0.000 2.556 80 I HA -0.018 4.157 4.170 0.009 0.000 0.284 80 I C 0.032 176.174 176.117 0.042 0.000 1.114 80 I CA 0.890 62.210 61.300 0.033 0.000 1.418 80 I CB 0.291 38.306 38.000 0.024 0.000 1.394 80 I HN 0.531 nan 8.210 nan 0.000 0.552 81 D N 2.187 122.617 120.400 0.050 0.000 2.567 81 D HA 0.103 4.749 4.640 0.009 0.000 0.268 81 D C 0.223 176.575 176.300 0.086 0.000 1.448 81 D CA 0.179 54.217 54.000 0.063 0.000 0.811 81 D CB 0.662 41.496 40.800 0.058 0.000 1.192 81 D HN 0.324 nan 8.370 nan 0.000 0.488 82 S N -0.176 115.578 115.700 0.090 0.000 2.843 82 S HA 0.590 5.066 4.470 0.009 0.000 0.249 82 S C 0.690 175.358 174.600 0.112 0.000 1.047 82 S CA -0.120 58.151 58.200 0.119 0.000 1.042 82 S CB 1.343 64.615 63.200 0.120 0.000 0.936 82 S HN 0.441 nan 8.310 nan 0.000 0.531 83 G N 1.699 110.553 108.800 0.089 0.000 2.568 83 G HA2 -0.215 3.751 3.960 0.009 0.000 0.222 83 G HA3 -0.215 3.751 3.960 0.009 0.000 0.222 83 G C 0.264 175.196 174.900 0.053 0.000 1.321 83 G CA -0.308 44.836 45.100 0.074 0.000 0.893 83 G HN 0.285 nan 8.290 nan 0.000 0.569 84 L N 0.313 121.561 121.223 0.042 0.000 2.291 84 L HA 0.100 4.445 4.340 0.009 0.000 0.214 84 L C 1.506 178.388 176.870 0.019 0.000 1.120 84 L CA 1.021 55.876 54.840 0.024 0.000 0.799 84 L CB -0.334 41.734 42.059 0.015 0.000 0.925 84 L HN 0.320 nan 8.230 nan 0.000 0.446 85 K N 1.731 122.152 120.400 0.035 0.000 2.250 85 K HA 0.319 4.644 4.320 0.009 0.000 0.285 85 K C -0.335 176.286 176.600 0.035 0.000 1.097 85 K CA -0.174 56.131 56.287 0.030 0.000 0.913 85 K CB 0.758 33.290 32.500 0.053 0.000 1.179 85 K HN 0.094 nan 8.250 nan 0.000 0.462 86 I N 1.886 122.461 120.570 0.008 0.000 2.533 86 I HA -0.010 4.166 4.170 0.009 0.000 0.284 86 I C 1.319 177.452 176.117 0.027 0.000 1.109 86 I CA 0.575 61.884 61.300 0.015 0.000 1.412 86 I CB 0.600 38.598 38.000 -0.003 0.000 1.396 86 I HN 0.935 nan 8.210 nan 0.000 0.543 87 G N 4.311 113.139 108.800 0.047 0.000 2.160 87 G HA2 -0.197 3.768 3.960 0.009 0.000 0.251 87 G HA3 -0.197 3.768 3.960 0.009 0.000 0.251 87 G C 0.293 175.242 174.900 0.082 0.000 1.008 87 G CA 0.118 45.251 45.100 0.055 0.000 0.724 87 G HN 0.954 nan 8.290 nan 0.000 0.514 88 A N -0.579 122.304 122.820 0.105 0.000 2.246 88 A HA 0.655 4.980 4.320 0.009 0.000 0.291 88 A C 0.525 178.232 177.584 0.205 0.000 1.103 88 A CA -0.345 51.792 52.037 0.167 0.000 0.844 88 A CB 0.339 19.440 19.000 0.168 0.000 1.136 88 A HN 0.631 nan 8.150 nan 0.000 0.500 89 H N 0.374 119.577 119.070 0.222 0.000 2.819 89 H HA 0.142 4.703 4.556 0.008 0.000 0.303 89 H C 0.731 176.176 175.328 0.195 0.000 1.058 89 H CA 0.496 56.685 56.048 0.235 0.000 1.471 89 H CB 0.873 30.791 29.762 0.260 0.000 1.480 89 H HN 0.668 nan 8.280 nan 0.000 0.517 90 K N 3.360 123.958 120.400 0.330 0.000 2.360 90 K HA -0.133 4.192 4.320 0.009 0.000 0.201 90 K C 1.600 178.426 176.600 0.376 0.000 1.046 90 K CA 0.853 57.382 56.287 0.403 0.000 0.945 90 K CB 0.354 33.116 32.500 0.436 0.000 0.750 90 K HN 0.412 nan 8.250 nan 0.000 0.464 91 K N 0.842 121.330 120.400 0.146 0.000 2.444 91 K HA 0.018 4.343 4.320 0.009 0.000 0.193 91 K C 0.465 177.070 176.600 0.008 0.000 1.024 91 K CA 0.243 56.264 56.287 -0.443 0.000 1.077 91 K CB 0.296 32.057 32.500 -1.232 0.000 0.833 91 K HN -0.007 nan 8.250 nan 0.000 0.517 92 N N 1.696 120.517 118.700 0.202 0.000 2.375 92 N HA -0.030 4.715 4.740 0.009 0.000 0.220 92 N C -0.538 175.240 175.510 0.447 0.000 1.170 92 N CA 0.321 53.539 53.050 0.279 0.000 0.833 92 N CB 0.523 39.206 38.487 0.328 0.000 1.069 92 N HN 0.271 nan 8.380 nan 0.000 0.479 93 T N -3.788 111.000 114.554 0.389 0.000 2.928 93 T HA 0.298 4.653 4.350 0.009 0.000 0.284 93 T C 1.682 176.597 174.700 0.359 0.000 1.008 93 T CA -0.773 61.527 62.100 0.335 0.000 1.057 93 T CB 1.647 70.651 68.868 0.226 0.000 1.018 93 T HN -0.196 nan 8.240 nan 0.000 0.493 94 V N 1.457 121.519 119.914 0.246 0.000 2.324 94 V HA -0.155 3.970 4.120 0.009 0.000 0.250 94 V C 2.841 179.005 176.094 0.118 0.000 1.060 94 V CA 2.415 64.831 62.300 0.193 0.000 1.042 94 V CB -1.074 30.778 31.823 0.049 0.000 0.650 94 V HN 1.030 nan 8.190 nan 0.000 0.450 95 E N -0.458 119.749 120.200 0.011 0.000 2.077 95 E HA -0.211 4.144 4.350 0.009 0.000 0.193 95 E C 1.983 178.522 176.600 -0.102 0.000 0.989 95 E CA 1.687 58.026 56.400 -0.101 0.000 0.800 95 E CB -0.320 29.234 29.700 -0.243 0.000 0.746 95 E HN 0.698 nan 8.360 nan 0.000 0.452 96 Y N 0.488 120.860 120.300 0.119 0.000 2.395 96 Y HA 0.047 4.602 4.550 0.008 0.000 0.293 96 Y C 2.130 178.062 175.900 0.054 0.000 1.123 96 Y CA 0.983 59.143 58.100 0.100 0.000 1.227 96 Y CB -0.112 38.412 38.460 0.106 0.000 1.012 96 Y HN 0.145 nan 8.280 nan 0.000 0.552 97 Q N -0.134 119.787 119.800 0.201 0.000 2.369 97 Q HA -0.115 4.231 4.340 0.009 0.000 0.206 97 Q C 1.539 177.606 176.000 0.113 0.000 0.963 97 Q CA 0.839 56.721 55.803 0.131 0.000 0.894 97 Q CB -0.002 28.795 28.738 0.099 0.000 0.965 97 Q HN 0.444 nan 8.270 nan 0.000 0.475 98 K N 0.200 120.663 120.400 0.105 0.000 2.400 98 K HA 0.065 4.390 4.320 0.009 0.000 0.194 98 K C 0.253 176.892 176.600 0.064 0.000 1.033 98 K CA 0.362 56.691 56.287 0.070 0.000 1.021 98 K CB 0.468 32.995 32.500 0.046 0.000 0.808 98 K HN 0.090 nan 8.250 nan 0.000 0.505 99 N N 0.695 119.455 118.700 0.100 0.000 2.673 99 N HA 0.078 4.823 4.740 0.009 0.000 0.265 99 N C -0.019 175.600 175.510 0.182 0.000 1.709 99 N CA 0.058 53.177 53.050 0.114 0.000 0.792 99 N CB 0.880 39.428 38.487 0.100 0.000 1.286 99 N HN -0.028 nan 8.380 nan 0.000 0.506 100 I N 1.710 122.352 120.570 0.119 0.000 2.394 100 I HA -0.246 3.930 4.170 0.009 0.000 0.251 100 I C 2.123 178.284 176.117 0.074 0.000 1.136 100 I CA 1.475 62.832 61.300 0.095 0.000 1.425 100 I CB 0.177 38.185 38.000 0.014 0.000 1.079 100 I HN 0.289 nan 8.210 nan 0.000 0.425 101 D N 0.429 120.854 120.400 0.043 0.000 2.158 101 D HA -0.276 4.369 4.640 0.009 0.000 0.197 101 D C 1.675 177.997 176.300 0.038 0.000 0.995 101 D CA 1.336 55.340 54.000 0.006 0.000 0.846 101 D CB -0.595 40.208 40.800 0.005 0.000 0.941 101 D HN 0.288 nan 8.370 nan 0.000 0.456 102 K N -0.440 120.037 120.400 0.129 0.000 2.288 102 K HA -0.047 4.278 4.320 0.009 0.000 0.201 102 K C 1.843 178.512 176.600 0.115 0.000 1.048 102 K CA 0.022 56.407 56.287 0.163 0.000 0.956 102 K CB -0.471 32.205 32.500 0.293 0.000 0.746 102 K HN 0.228 nan 8.250 nan 0.000 0.461 103 F N 1.498 121.391 119.950 -0.095 0.000 2.365 103 F HA -0.147 4.386 4.527 0.010 0.000 0.300 103 F C 1.853 177.511 175.800 -0.237 0.000 1.090 103 F CA 0.472 58.258 58.000 -0.358 0.000 1.408 103 F CB -0.035 38.717 39.000 -0.414 0.000 1.060 103 F HN -0.304 nan 8.300 nan 0.000 0.534 104 V N 0.758 120.564 119.914 -0.180 0.000 2.324 104 V HA -0.396 3.729 4.120 0.009 0.000 0.250 104 V C 1.853 177.793 176.094 -0.256 0.000 1.060 104 V CA 2.549 64.707 62.300 -0.236 0.000 1.042 104 V CB -0.985 30.717 31.823 -0.202 0.000 0.650 104 V HN 0.400 nan 8.190 nan 0.000 0.450 105 N N -0.139 118.442 118.700 -0.199 0.000 2.166 105 N HA -0.142 4.603 4.740 0.009 0.000 0.186 105 N C 1.678 177.049 175.510 -0.232 0.000 1.019 105 N CA 1.334 54.289 53.050 -0.158 0.000 0.856 105 N CB -0.332 38.111 38.487 -0.072 0.000 0.993 105 N HN 0.328 nan 8.380 nan 0.000 0.426 106 V N 1.502 121.175 119.914 -0.401 0.000 2.287 106 V HA -0.249 3.876 4.120 0.009 0.000 0.248 106 V C 2.073 177.889 176.094 -0.463 0.000 1.053 106 V CA 1.532 63.534 62.300 -0.495 0.000 1.027 106 V CB -0.582 30.689 31.823 -0.920 0.000 0.646 106 V HN 0.318 nan 8.190 nan 0.000 0.447 107 I N -0.386 119.840 120.570 -0.573 0.000 2.163 107 I HA -0.335 3.840 4.170 0.009 0.000 0.243 107 I C 2.726 178.745 176.117 -0.165 0.000 1.085 107 I CA 1.769 62.873 61.300 -0.327 0.000 1.347 107 I CB -0.457 37.386 38.000 -0.261 0.000 1.044 107 I HN 0.359 nan 8.210 nan 0.000 0.408 108 Q N 0.364 120.072 119.800 -0.152 0.000 2.135 108 Q HA -0.164 4.182 4.340 0.009 0.000 0.204 108 Q C 2.243 178.209 176.000 -0.057 0.000 0.981 108 Q CA 1.600 57.358 55.803 -0.075 0.000 0.856 108 Q CB -0.436 28.262 28.738 -0.067 0.000 0.902 108 Q HN 0.651 nan 8.270 nan 0.000 0.425 109 G N 0.868 109.619 108.800 -0.082 0.000 2.679 109 G HA2 -0.197 3.768 3.960 0.009 0.000 0.212 109 G HA3 -0.197 3.768 3.960 0.009 0.000 0.212 109 G C 0.996 175.877 174.900 -0.031 0.000 1.137 109 G CA 0.473 45.544 45.100 -0.048 0.000 0.787 109 G HN 0.458 nan 8.290 nan 0.000 0.534 110 Q N -0.589 119.186 119.800 -0.041 0.000 2.159 110 Q HA 0.368 4.713 4.340 0.009 0.000 0.217 110 Q C -0.049 175.962 176.000 0.018 0.000 0.818 110 Q CA -0.266 55.532 55.803 -0.008 0.000 1.008 110 Q CB 0.175 28.903 28.738 -0.017 0.000 1.148 110 Q HN 0.252 nan 8.270 nan 0.000 0.491 111 L N 2.168 123.401 121.223 0.018 0.000 2.264 111 L HA 0.482 4.827 4.340 0.009 0.000 0.287 111 L C -0.831 176.072 176.870 0.054 0.000 1.039 111 L CA -0.751 54.116 54.840 0.045 0.000 0.829 111 L CB 1.090 43.176 42.059 0.045 0.000 1.211 111 L HN 0.172 nan 8.230 nan 0.000 0.427 112 M N 2.277 121.922 119.600 0.075 0.000 2.080 112 M HA 0.245 4.730 4.480 0.009 0.000 0.350 112 M C 0.307 176.662 176.300 0.093 0.000 1.173 112 M CA 0.142 55.491 55.300 0.083 0.000 1.052 112 M CB 1.498 34.159 32.600 0.101 0.000 1.577 112 M HN 0.347 nan 8.290 nan 0.000 0.455 113 S N 1.766 117.510 115.700 0.074 0.000 2.558 113 S HA 0.079 4.554 4.470 0.009 0.000 0.288 113 S C 1.444 176.097 174.600 0.088 0.000 1.318 113 S CA -0.622 57.623 58.200 0.074 0.000 1.056 113 S CB 0.614 63.846 63.200 0.052 0.000 0.853 113 S HN 0.583 nan 8.310 nan 0.000 0.505 114 V N 2.099 122.077 119.914 0.106 0.000 2.302 114 V HA 0.030 4.155 4.120 0.009 0.000 0.243 114 V C 1.157 177.268 176.094 0.029 0.000 1.036 114 V CA 1.342 63.699 62.300 0.094 0.000 1.020 114 V CB 0.079 32.000 31.823 0.163 0.000 0.657 114 V HN 0.779 nan 8.190 nan 0.000 0.453 115 S N -0.435 115.299 115.700 0.057 0.000 2.776 115 S HA 0.534 5.009 4.470 0.009 0.000 0.284 115 S C -1.112 173.499 174.600 0.018 0.000 1.160 115 S CA -0.428 57.768 58.200 -0.006 0.000 1.051 115 S CB 1.446 64.616 63.200 -0.049 0.000 1.037 115 S HN 0.016 nan 8.310 nan 0.000 0.485 116 V N 7.834 127.745 119.914 -0.004 0.000 2.357 116 V HA 0.529 4.654 4.120 0.009 0.000 0.284 116 V C -1.992 174.092 176.094 -0.016 0.000 1.018 116 V CA -1.835 60.463 62.300 -0.003 0.000 0.841 116 V CB 1.378 33.201 31.823 -0.001 0.000 0.991 116 V HN 0.685 nan 8.190 nan 0.000 0.437 117 P HA 0.133 nan 4.420 nan 0.000 0.272 117 P C -0.094 177.189 177.300 -0.029 0.000 1.240 117 P CA -0.086 63.000 63.100 -0.023 0.000 0.791 117 P CB 0.830 32.517 31.700 -0.021 0.000 0.978 118 V N 2.373 122.272 119.914 -0.025 0.000 2.599 118 V HA -0.047 4.079 4.120 0.009 0.000 0.300 118 V C 1.309 177.366 176.094 -0.062 0.000 1.034 118 V CA 0.223 62.505 62.300 -0.029 0.000 1.115 118 V CB -0.739 31.085 31.823 0.002 0.000 0.934 118 V HN 0.616 nan 8.190 nan 0.000 0.485 119 N N 3.646 122.304 118.700 -0.069 0.000 2.497 119 N HA 0.098 4.843 4.740 0.009 0.000 0.271 119 N C 0.579 175.979 175.510 -0.184 0.000 1.142 119 N CA 0.470 53.463 53.050 -0.096 0.000 0.965 119 N CB 1.523 39.976 38.487 -0.058 0.000 1.077 119 N HN 0.874 nan 8.380 nan 0.000 0.462 120 T N 0.689 115.030 114.554 -0.354 0.000 3.288 120 T HA 0.265 4.620 4.350 0.009 0.000 0.293 120 T C 0.749 175.068 174.700 -0.636 0.000 1.008 120 T CA -0.437 61.098 62.100 -0.941 0.000 0.929 120 T CB -0.436 67.881 68.868 -0.919 0.000 1.152 120 T HN 0.269 nan 8.240 nan 0.000 0.517 121 L N 1.962 123.054 121.223 -0.219 0.000 2.453 121 L HA 0.363 4.708 4.340 0.009 0.000 0.272 121 L C 0.071 177.006 176.870 0.107 0.000 1.182 121 L CA -0.663 54.143 54.840 -0.056 0.000 0.858 121 L CB 0.819 42.871 42.059 -0.013 0.000 1.120 121 L HN 0.072 nan 8.230 nan 0.000 0.474 122 V N 4.655 124.637 119.914 0.113 0.000 2.364 122 V HA 0.176 4.301 4.120 0.009 0.000 0.272 122 V C 0.153 176.313 176.094 0.110 0.000 1.036 122 V CA -0.464 61.945 62.300 0.181 0.000 0.880 122 V CB 1.485 33.399 31.823 0.151 0.000 0.991 122 V HN 0.407 nan 8.190 nan 0.000 0.460 123 V N 5.581 125.562 119.914 0.112 0.000 2.294 123 V HA 0.334 4.460 4.120 0.009 0.000 0.272 123 V C 0.263 176.388 176.094 0.051 0.000 1.027 123 V CA -0.396 61.947 62.300 0.071 0.000 0.823 123 V CB 1.317 33.185 31.823 0.074 0.000 1.030 123 V HN 1.063 nan 8.190 nan 0.000 0.457 124 D N 2.018 122.441 120.400 0.038 0.000 2.501 124 D HA -0.004 4.642 4.640 0.009 0.000 0.224 124 D C 1.207 177.516 176.300 0.015 0.000 1.202 124 D CA 0.282 54.295 54.000 0.021 0.000 0.829 124 D CB 0.401 41.213 40.800 0.020 0.000 1.023 124 D HN 0.542 nan 8.370 nan 0.000 0.499 125 T N -1.709 112.857 114.554 0.021 0.000 3.214 125 T HA 0.310 4.666 4.350 0.009 0.000 0.264 125 T C 0.770 175.483 174.700 0.020 0.000 1.012 125 T CA -0.558 61.553 62.100 0.018 0.000 0.901 125 T CB -0.322 68.558 68.868 0.019 0.000 1.070 125 T HN 0.032 nan 8.240 nan 0.000 0.561 126 L N 2.118 123.355 121.223 0.022 0.000 2.483 126 L HA 0.247 4.592 4.340 0.009 0.000 0.276 126 L C 1.153 178.033 176.870 0.017 0.000 1.213 126 L CA -0.473 54.383 54.840 0.026 0.000 0.843 126 L CB 0.350 42.427 42.059 0.030 0.000 1.107 126 L HN 0.271 nan 8.230 nan 0.000 0.487 127 S N 2.321 118.035 115.700 0.022 0.000 2.558 127 S HA 0.077 4.552 4.470 0.009 0.000 0.288 127 S C -1.378 173.227 174.600 0.009 0.000 1.318 127 S CA -1.010 57.200 58.200 0.016 0.000 1.056 127 S CB 0.798 64.012 63.200 0.022 0.000 0.853 127 S HN 0.407 nan 8.310 nan 0.000 0.505 128 P HA -0.108 nan 4.420 nan 0.000 0.220 128 P C 1.389 178.685 177.300 -0.006 0.000 1.144 128 P CA 1.511 64.605 63.100 -0.010 0.000 0.800 128 P CB -0.176 31.518 31.700 -0.010 0.000 0.772 129 T N -5.616 108.944 114.554 0.010 0.000 3.023 129 T HA 0.068 4.424 4.350 0.009 0.000 0.266 129 T C 1.057 175.783 174.700 0.044 0.000 1.093 129 T CA 0.137 62.251 62.100 0.022 0.000 1.129 129 T CB -0.663 68.222 68.868 0.028 0.000 0.899 129 T HN -0.090 nan 8.240 nan 0.000 0.491 130 S N 1.456 117.185 115.700 0.050 0.000 2.562 130 S HA 0.228 4.703 4.470 0.009 0.000 0.281 130 S C -0.519 174.146 174.600 0.109 0.000 1.333 130 S CA -0.937 57.320 58.200 0.095 0.000 1.052 130 S CB 0.040 63.293 63.200 0.089 0.000 0.884 130 S HN 0.597 nan 8.310 nan 0.000 0.506 131 W N 3.397 124.705 121.300 0.013 0.000 2.322 131 W HA 0.190 4.854 4.660 0.006 0.000 0.328 131 W C 0.238 176.771 176.519 0.023 0.000 1.395 131 W CA 0.224 57.576 57.345 0.012 0.000 1.267 131 W CB 0.160 29.626 29.460 0.011 0.000 1.259 131 W HN 0.539 nan 8.180 nan 0.000 0.560 132 Q N 5.301 124.721 119.800 -0.633 0.000 2.323 132 Q HA 0.590 4.936 4.340 0.009 0.000 0.271 132 Q C -0.630 174.897 176.000 -0.789 0.000 1.048 132 Q CA -0.849 54.702 55.803 -0.420 0.000 0.792 132 Q CB 1.725 30.307 28.738 -0.260 0.000 1.280 132 Q HN 0.609 nan 8.270 nan 0.000 0.441 133 A N 2.279 124.849 122.820 -0.417 0.000 2.407 133 A HA 0.271 4.596 4.320 0.009 0.000 0.248 133 A C 0.460 177.858 177.584 -0.309 0.000 1.082 133 A CA -0.037 51.816 52.037 -0.306 0.000 0.785 133 A CB 0.703 19.840 19.000 0.228 0.000 1.020 133 A HN 0.877 nan 8.150 nan 0.000 0.489 134 S N -0.548 115.002 115.700 -0.250 0.000 2.517 134 S HA 0.132 4.607 4.470 0.009 0.000 0.214 134 S C 0.807 175.298 174.600 -0.183 0.000 0.991 134 S CA 0.782 58.860 58.200 -0.203 0.000 0.906 134 S CB -0.077 63.026 63.200 -0.162 0.000 0.789 134 S HN 1.115 nan 8.310 nan 0.000 0.513 135 T N -1.388 113.094 114.554 -0.120 0.000 2.865 135 T HA 0.634 4.989 4.350 0.009 0.000 0.294 135 T C -0.959 173.656 174.700 -0.140 0.000 1.119 135 T CA -0.743 61.282 62.100 -0.125 0.000 1.007 135 T CB 0.678 69.585 68.868 0.065 0.000 1.225 135 T HN -0.085 nan 8.240 nan 0.000 0.515 136 F N 2.881 122.913 119.950 0.138 0.000 2.626 136 F HA 0.391 4.923 4.527 0.009 0.000 0.353 136 F C 0.395 176.235 175.800 0.068 0.000 1.230 136 F CA -1.814 56.222 58.000 0.061 0.000 1.298 136 F CB -0.950 38.061 39.000 0.017 0.000 1.670 136 F HN 0.554 nan 8.300 nan 0.000 0.633 137 F N -0.874 119.178 119.950 0.171 0.000 2.403 137 F HA 0.572 5.106 4.527 0.012 0.000 0.320 137 F C -0.067 175.806 175.800 0.122 0.000 1.176 137 F CA -1.639 56.439 58.000 0.130 0.000 1.206 137 F CB -0.088 38.978 39.000 0.111 0.000 1.235 137 F HN -0.167 nan 8.300 nan 0.000 0.565 138 V N 3.987 124.026 119.914 0.209 0.000 2.446 138 V HA 0.257 4.382 4.120 0.009 0.000 0.276 138 V C 0.344 176.455 176.094 0.027 0.000 1.030 138 V CA -0.223 62.123 62.300 0.075 0.000 1.033 138 V CB -0.778 31.114 31.823 0.115 0.000 0.993 138 V HN 0.936 nan 8.190 nan 0.000 0.477 139 R N 3.464 123.895 120.500 -0.116 0.000 2.831 139 R HA 0.484 4.829 4.340 0.009 0.000 0.266 139 R C -0.263 176.009 176.300 -0.047 0.000 1.051 139 R CA -0.922 55.131 56.100 -0.078 0.000 0.943 139 R CB 0.795 30.946 30.300 -0.250 0.000 1.228 139 R HN 0.429 nan 8.270 nan 0.000 0.467 140 N N -0.564 118.128 118.700 -0.014 0.000 2.708 140 N HA -0.196 4.550 4.740 0.009 0.000 0.249 140 N C 0.717 176.224 175.510 -0.005 0.000 1.097 140 N CA 1.831 54.876 53.050 -0.009 0.000 0.710 140 N CB -1.338 37.139 38.487 -0.017 0.000 1.032 140 N HN 1.122 nan 8.380 nan 0.000 0.551 141 G N -1.828 106.973 108.800 0.001 0.000 2.148 141 G HA2 -0.323 3.642 3.960 0.009 0.000 0.254 141 G HA3 -0.323 3.642 3.960 0.009 0.000 0.254 141 G C 0.316 175.217 174.900 0.001 0.000 0.981 141 G CA 0.893 45.995 45.100 0.004 0.000 0.670 141 G HN 1.287 nan 8.290 nan 0.000 0.528 142 S N -0.647 115.049 115.700 -0.006 0.000 2.589 142 S HA 0.450 4.925 4.470 0.009 0.000 0.265 142 S C 0.173 174.769 174.600 -0.008 0.000 1.342 142 S CA 0.150 58.343 58.200 -0.012 0.000 1.005 142 S CB 1.682 64.868 63.200 -0.022 0.000 0.909 142 S HN 0.751 nan 8.310 nan 0.000 0.555 143 N N 1.730 120.418 118.700 -0.020 0.000 2.546 143 N HA 0.376 5.121 4.740 0.009 0.000 0.238 143 N C -1.888 173.609 175.510 -0.022 0.000 0.984 143 N CA -2.528 50.501 53.050 -0.034 0.000 0.935 143 N CB 1.320 39.759 38.487 -0.080 0.000 1.122 143 N HN 0.349 nan 8.380 nan 0.000 0.510 144 P HA 0.002 nan 4.420 nan 0.000 0.237 144 P C 0.327 177.649 177.300 0.036 0.000 1.178 144 P CA 0.637 63.754 63.100 0.028 0.000 0.766 144 P CB 0.586 32.318 31.700 0.053 0.000 0.876 145 E N -0.116 120.092 120.200 0.014 0.000 2.274 145 E HA -0.100 4.255 4.350 0.009 0.000 0.194 145 E C 0.886 177.498 176.600 0.020 0.000 0.996 145 E CA 0.637 57.066 56.400 0.048 0.000 0.840 145 E CB -0.073 29.593 29.700 -0.057 0.000 0.772 145 E HN 0.310 nan 8.360 nan 0.000 0.491 146 Q N 2.140 121.917 119.800 -0.038 0.000 2.294 146 Q HA 0.037 4.383 4.340 0.009 0.000 0.257 146 Q C -0.855 175.153 176.000 0.014 0.000 0.955 146 Q CA -0.231 55.547 55.803 -0.041 0.000 0.936 146 Q CB 0.867 29.565 28.738 -0.066 0.000 1.188 146 Q HN -0.201 nan 8.270 nan 0.000 0.420 147 D N 5.796 126.223 120.400 0.045 0.000 2.371 147 D HA 0.072 4.717 4.640 0.009 0.000 0.256 147 D C -1.704 174.611 176.300 0.025 0.000 1.193 147 D CA -1.907 52.118 54.000 0.042 0.000 0.881 147 D CB 1.299 42.136 40.800 0.062 0.000 1.143 147 D HN 0.436 nan 8.370 nan 0.000 0.473 148 P HA -0.070 nan 4.420 nan 0.000 0.223 148 P C 1.218 178.518 177.300 0.002 0.000 1.151 148 P CA 0.658 63.756 63.100 -0.003 0.000 0.787 148 P CB 0.329 32.015 31.700 -0.023 0.000 0.788 149 L N -1.117 120.109 121.223 0.006 0.000 2.592 149 L HA 0.184 4.529 4.340 0.009 0.000 0.227 149 L C 1.420 178.299 176.870 0.016 0.000 1.127 149 L CA 0.234 55.077 54.840 0.006 0.000 0.884 149 L CB -0.234 41.825 42.059 -0.001 0.000 1.065 149 L HN -0.165 nan 8.230 nan 0.000 0.457 150 R N -0.187 120.332 120.500 0.032 0.000 2.734 150 R HA 0.221 4.567 4.340 0.009 0.000 0.395 150 R C -0.426 175.925 176.300 0.086 0.000 1.096 150 R CA -0.276 55.853 56.100 0.050 0.000 1.071 150 R CB 0.307 30.638 30.300 0.052 0.000 1.348 150 R HN 0.045 nan 8.270 nan 0.000 0.600 151 N N 0.564 119.296 118.700 0.052 0.000 2.483 151 N HA 0.389 5.134 4.740 0.009 0.000 0.285 151 N C -0.668 174.770 175.510 -0.121 0.000 1.210 151 N CA -0.675 52.396 53.050 0.034 0.000 0.931 151 N CB 1.232 39.735 38.487 0.026 0.000 1.220 151 N HN 0.090 nan 8.380 nan 0.000 0.542 152 L N 2.027 123.033 121.223 -0.362 0.000 2.494 152 L HA 0.214 4.560 4.340 0.009 0.000 0.251 152 L C 1.482 178.187 176.870 -0.275 0.000 1.119 152 L CA -0.285 54.218 54.840 -0.562 0.000 1.026 152 L CB 0.364 41.687 42.059 -1.227 0.000 1.370 152 L HN 0.628 nan 8.230 nan 0.000 0.426 153 S N -0.136 115.489 115.700 -0.124 0.000 2.400 153 S HA -0.144 4.331 4.470 0.009 0.000 0.232 153 S C 1.830 176.406 174.600 -0.039 0.000 1.025 153 S CA 1.181 59.354 58.200 -0.045 0.000 0.993 153 S CB -0.257 62.928 63.200 -0.025 0.000 0.808 153 S HN 0.632 nan 8.310 nan 0.000 0.478 154 G N 0.634 109.392 108.800 -0.070 0.000 2.650 154 G HA2 0.070 4.035 3.960 0.009 0.000 0.214 154 G HA3 0.070 4.035 3.960 0.009 0.000 0.214 154 G C 0.595 175.477 174.900 -0.029 0.000 1.136 154 G CA -0.262 44.814 45.100 -0.040 0.000 0.789 154 G HN 0.399 nan 8.290 nan 0.000 0.536 155 Q N 0.544 120.299 119.800 -0.075 0.000 2.315 155 Q HA 0.452 4.797 4.340 0.009 0.000 0.289 155 Q C -0.027 176.015 176.000 0.070 0.000 1.044 155 Q CA 0.431 56.223 55.803 -0.018 0.000 0.920 155 Q CB 1.283 29.984 28.738 -0.061 0.000 1.214 155 Q HN 0.306 nan 8.270 nan 0.000 0.392 156 A N 1.915 124.788 122.820 0.089 0.000 2.602 156 A HA 0.751 5.077 4.320 0.009 0.000 0.290 156 A C -1.000 176.658 177.584 0.124 0.000 1.114 156 A CA -0.480 51.620 52.037 0.105 0.000 0.683 156 A CB 1.346 20.398 19.000 0.087 0.000 1.281 156 A HN 0.501 nan 8.150 nan 0.000 0.416 157 V N -2.378 117.621 119.914 0.140 0.000 3.074 157 V HA 0.960 5.086 4.120 0.009 0.000 0.314 157 V C -0.533 175.635 176.094 0.124 0.000 1.117 157 V CA -0.495 61.902 62.300 0.162 0.000 1.014 157 V CB 1.631 33.612 31.823 0.263 0.000 1.057 157 V HN 0.937 nan 8.190 nan 0.000 0.438 158 T N 2.453 117.070 114.554 0.104 0.000 2.824 158 T HA 0.589 4.944 4.350 0.009 0.000 0.282 158 T C -0.360 174.367 174.700 0.045 0.000 0.993 158 T CA -0.466 61.674 62.100 0.067 0.000 0.967 158 T CB 1.281 70.181 68.868 0.052 0.000 0.960 158 T HN 0.773 nan 8.240 nan 0.000 0.441 159 R N 2.469 122.987 120.500 0.029 0.000 2.505 159 R HA 0.576 4.922 4.340 0.009 0.000 0.284 159 R C -0.688 175.616 176.300 0.008 0.000 1.324 159 R CA -0.536 55.557 56.100 -0.010 0.000 1.432 159 R CB 0.686 30.958 30.300 -0.046 0.000 1.107 159 R HN 0.515 nan 8.270 nan 0.000 0.587 160 V N -1.986 117.934 119.914 0.011 0.000 3.087 160 V HA 0.450 4.575 4.120 0.009 0.000 0.306 160 V C -0.061 176.045 176.094 0.019 0.000 1.187 160 V CA -1.130 61.182 62.300 0.020 0.000 0.999 160 V CB 2.014 33.854 31.823 0.028 0.000 1.049 160 V HN 0.082 nan 8.190 nan 0.000 0.431 161 V N 3.666 123.595 119.914 0.025 0.000 2.540 161 V HA 0.498 4.623 4.120 0.009 0.000 0.297 161 V C 1.714 177.826 176.094 0.030 0.000 1.024 161 V CA 1.963 64.281 62.300 0.029 0.000 1.105 161 V CB 0.024 31.867 31.823 0.033 0.000 0.938 161 V HN 2.079 nan 8.190 nan 0.000 0.482 162 G N 3.302 112.118 108.800 0.026 0.000 2.194 162 G HA2 0.013 3.979 3.960 0.009 0.000 0.236 162 G HA3 0.013 3.979 3.960 0.009 0.000 0.236 162 G C 0.971 175.864 174.900 -0.011 0.000 0.987 162 G CA 0.223 45.332 45.100 0.015 0.000 0.635 162 G HN 2.110 nan 8.290 nan 0.000 0.520 163 G N 0.131 108.930 108.800 -0.001 0.000 2.581 163 G HA2 -0.252 3.714 3.960 0.009 0.000 0.291 163 G HA3 -0.252 3.714 3.960 0.009 0.000 0.291 163 G C 1.164 176.054 174.900 -0.017 0.000 1.277 163 G CA 1.179 46.277 45.100 -0.004 0.000 0.959 163 G HN 1.112 nan 8.290 nan 0.000 0.554 164 M N 1.451 121.039 119.600 -0.019 0.000 2.549 164 M HA -0.013 4.472 4.480 0.009 0.000 0.260 164 M C 2.696 178.951 176.300 -0.075 0.000 1.076 164 M CA 1.739 57.036 55.300 -0.004 0.000 1.090 164 M CB -0.241 32.385 32.600 0.044 0.000 1.418 164 M HN 0.744 nan 8.290 nan 0.000 0.486 165 S N -0.337 115.227 115.700 -0.227 0.000 2.547 165 S HA -0.077 4.399 4.470 0.009 0.000 0.235 165 S C 1.713 176.245 174.600 -0.113 0.000 0.980 165 S CA 1.216 59.157 58.200 -0.431 0.000 0.941 165 S CB -0.943 61.966 63.200 -0.486 0.000 0.763 165 S HN 0.590 nan 8.310 nan 0.000 0.532 166 T N -2.598 111.899 114.554 -0.095 0.000 3.085 166 T HA 0.469 4.825 4.350 0.009 0.000 0.263 166 T C 1.297 175.819 174.700 -0.296 0.000 1.127 166 T CA 0.539 62.557 62.100 -0.136 0.000 1.103 166 T CB -0.032 68.832 68.868 -0.006 0.000 0.921 166 T HN 0.578 nan 8.240 nan 0.000 0.510 167 A N 0.051 122.795 122.820 -0.126 0.000 2.474 167 A HA 0.411 4.736 4.320 0.009 0.000 0.221 167 A C 0.717 178.525 177.584 0.374 0.000 1.298 167 A CA -0.616 51.514 52.037 0.156 0.000 1.008 167 A CB -0.151 18.930 19.000 0.135 0.000 1.217 167 A HN 0.645 nan 8.150 nan 0.000 0.553 168 W N 1.325 122.666 121.300 0.068 0.000 2.042 168 W HA 0.346 5.011 4.660 0.008 0.000 0.358 168 W C 0.480 177.095 176.519 0.161 0.000 1.325 168 W CA 0.932 58.363 57.345 0.143 0.000 1.311 168 W CB -0.866 28.654 29.460 0.099 0.000 1.210 168 W HN 0.267 nan 8.180 nan 0.000 0.620 169 T N -2.213 112.328 114.554 -0.022 0.000 3.144 169 T HA 0.137 4.492 4.350 0.009 0.000 0.249 169 T C 0.892 175.187 174.700 -0.676 0.000 1.089 169 T CA 0.410 62.306 62.100 -0.340 0.000 0.989 169 T CB -1.162 67.676 68.868 -0.051 0.000 0.992 169 T HN 0.717 nan 8.240 nan 0.000 0.540 170 C N 0.712 119.175 119.300 -1.394 0.000 4.400 170 C HA -0.094 4.371 4.460 0.009 0.000 0.275 170 C C 1.311 175.820 174.990 -0.801 0.000 1.391 170 C CA -0.417 57.585 59.018 -1.694 0.000 1.816 170 C CB -2.851 24.378 27.740 -0.851 0.000 1.404 170 C HN 1.017 nan 8.230 nan 0.000 0.754 171 A N 1.113 123.650 122.820 -0.472 0.000 2.404 171 A HA 0.540 4.866 4.320 0.009 0.000 0.273 171 A C 0.804 178.303 177.584 -0.143 0.000 1.144 171 A CA 1.115 53.028 52.037 -0.206 0.000 0.806 171 A CB 0.175 19.114 19.000 -0.103 0.000 1.080 171 A HN 1.379 nan 8.150 nan 0.000 0.509 172 T N 1.566 116.056 114.554 -0.107 0.000 3.504 172 T HA 0.498 4.853 4.350 0.009 0.000 0.286 172 T C -2.658 172.002 174.700 -0.067 0.000 1.530 172 T CA -1.413 60.660 62.100 -0.044 0.000 1.652 172 T CB 0.546 69.418 68.868 0.006 0.000 0.895 172 T HN 0.458 nan 8.240 nan 0.000 0.674 173 P HA 0.370 nan 4.420 nan 0.000 0.277 173 P C -0.279 176.892 177.300 -0.215 0.000 1.240 173 P CA -0.621 62.390 63.100 -0.148 0.000 0.798 173 P CB 1.126 32.709 31.700 -0.196 0.000 0.979 174 R N 0.968 121.264 120.500 -0.341 0.000 2.539 174 R HA 0.373 4.719 4.340 0.009 0.000 0.275 174 R C 0.061 176.241 176.300 -0.200 0.000 1.077 174 R CA -0.412 55.296 56.100 -0.653 0.000 1.097 174 R CB 0.145 29.927 30.300 -0.863 0.000 1.018 174 R HN 0.374 nan 8.270 nan 0.000 0.483 175 F N 2.160 121.888 119.950 -0.370 0.000 2.399 175 F HA 0.047 4.579 4.527 0.009 0.000 0.342 175 F C 0.994 176.618 175.800 -0.293 0.000 1.106 175 F CA -1.358 56.453 58.000 -0.314 0.000 1.196 175 F CB 0.393 39.205 39.000 -0.314 0.000 1.163 175 F HN 0.551 nan 8.300 nan 0.000 0.547 176 D N 2.283 122.613 120.400 -0.117 0.000 2.411 176 D HA 0.151 4.797 4.640 0.009 0.000 0.251 176 D C 1.052 177.271 176.300 -0.135 0.000 1.201 176 D CA -0.440 53.493 54.000 -0.111 0.000 0.996 176 D CB 0.499 41.248 40.800 -0.086 0.000 1.101 176 D HN 0.459 nan 8.370 nan 0.000 0.504 177 R N -0.352 120.092 120.500 -0.094 0.000 2.103 177 R HA -0.196 4.149 4.340 0.009 0.000 0.242 177 R C 2.041 178.284 176.300 -0.094 0.000 1.142 177 R CA 1.734 57.781 56.100 -0.088 0.000 0.960 177 R CB -0.327 29.954 30.300 -0.032 0.000 0.858 177 R HN 0.666 nan 8.270 nan 0.000 0.439 178 E N 0.688 120.836 120.200 -0.087 0.000 2.209 178 E HA -0.235 4.120 4.350 0.009 0.000 0.196 178 E C 1.569 178.062 176.600 -0.178 0.000 0.993 178 E CA 1.307 57.660 56.400 -0.077 0.000 0.819 178 E CB 0.189 29.899 29.700 0.017 0.000 0.745 178 E HN 0.415 nan 8.360 nan 0.000 0.477 179 Q N -0.670 118.926 119.800 -0.340 0.000 2.352 179 Q HA 0.115 4.460 4.340 0.009 0.000 0.212 179 Q C 0.353 176.244 176.000 -0.181 0.000 0.888 179 Q CA -0.151 55.382 55.803 -0.450 0.000 0.934 179 Q CB 0.627 28.785 28.738 -0.966 0.000 1.093 179 Q HN -0.052 nan 8.270 nan 0.000 0.523 180 R N 2.176 122.608 120.500 -0.114 0.000 2.265 180 R HA 0.258 4.603 4.340 0.009 0.000 0.319 180 R C -2.532 173.706 176.300 -0.102 0.000 1.006 180 R CA -2.121 53.891 56.100 -0.147 0.000 0.880 180 R CB 0.738 30.773 30.300 -0.442 0.000 1.077 180 R HN -0.138 nan 8.270 nan 0.000 0.454 181 P HA -0.082 nan 4.420 nan 0.000 0.266 181 P C -0.596 176.836 177.300 0.219 0.000 1.193 181 P CA 0.220 63.383 63.100 0.106 0.000 0.770 181 P CB 0.479 32.282 31.700 0.173 0.000 0.836 182 L N 3.048 124.378 121.223 0.177 0.000 2.349 182 L HA 0.161 4.506 4.340 0.009 0.000 0.275 182 L C 1.586 178.607 176.870 0.253 0.000 1.115 182 L CA -0.172 54.846 54.840 0.297 0.000 0.820 182 L CB 0.370 42.646 42.059 0.361 0.000 1.135 182 L HN 0.403 nan 8.230 nan 0.000 0.445 183 L N 3.315 124.746 121.223 0.346 0.000 2.470 183 L HA 0.204 4.550 4.340 0.009 0.000 0.219 183 L C -0.131 176.925 176.870 0.310 0.000 1.071 183 L CA 0.207 55.127 54.840 0.133 0.000 0.850 183 L CB 0.656 42.600 42.059 -0.190 0.000 1.040 183 L HN 0.310 nan 8.230 nan 0.000 0.475 184 V N 1.284 121.400 119.914 0.337 0.000 2.540 184 V HA 0.220 4.345 4.120 0.009 0.000 0.302 184 V C -0.210 176.012 176.094 0.213 0.000 1.035 184 V CA -0.949 61.497 62.300 0.244 0.000 0.873 184 V CB 1.866 33.763 31.823 0.123 0.000 0.992 184 V HN 0.167 nan 8.190 nan 0.000 0.428 185 K N 2.872 123.235 120.400 -0.061 0.000 2.205 185 K HA 0.351 4.676 4.320 0.009 0.000 0.279 185 K C -0.404 176.155 176.600 -0.070 0.000 1.027 185 K CA -0.268 55.921 56.287 -0.162 0.000 0.932 185 K CB 0.990 33.121 32.500 -0.615 0.000 1.032 185 K HN 0.636 nan 8.250 nan 0.000 0.466 186 D N 0.942 121.335 120.400 -0.012 0.000 2.945 186 D HA -0.155 4.490 4.640 0.009 0.000 0.225 186 D C -1.001 175.306 176.300 0.011 0.000 1.158 186 D CA 1.505 55.503 54.000 -0.004 0.000 0.805 186 D CB -0.773 40.007 40.800 -0.033 0.000 1.098 186 D HN 0.811 nan 8.370 nan 0.000 0.426 187 D N -1.238 119.182 120.400 0.034 0.000 2.351 187 D HA 0.441 5.087 4.640 0.009 0.000 0.235 187 D C 0.893 177.231 176.300 0.063 0.000 1.331 187 D CA 0.187 54.210 54.000 0.039 0.000 0.959 187 D CB 0.614 41.430 40.800 0.028 0.000 1.432 187 D HN -0.029 nan 8.370 nan 0.000 0.544 188 A N 2.833 125.690 122.820 0.061 0.000 1.933 188 A HA -0.166 4.159 4.320 0.009 0.000 0.218 188 A C 1.613 179.244 177.584 0.078 0.000 1.175 188 A CA 1.470 53.551 52.037 0.074 0.000 0.628 188 A CB -0.033 19.002 19.000 0.058 0.000 0.814 188 A HN 0.466 nan 8.150 nan 0.000 0.444 189 D N -0.133 120.303 120.400 0.060 0.000 2.117 189 D HA 0.018 4.663 4.640 0.009 0.000 0.198 189 D C 2.224 178.563 176.300 0.065 0.000 0.982 189 D CA 1.478 55.513 54.000 0.058 0.000 0.828 189 D CB -0.359 40.467 40.800 0.042 0.000 0.967 189 D HN 0.411 nan 8.370 nan 0.000 0.464 190 A N 0.493 123.350 122.820 0.060 0.000 1.929 190 A HA -0.170 4.155 4.320 0.009 0.000 0.216 190 A C 1.928 179.560 177.584 0.080 0.000 1.176 190 A CA 1.832 53.902 52.037 0.055 0.000 0.628 190 A CB -0.552 18.473 19.000 0.041 0.000 0.816 190 A HN 0.180 nan 8.150 nan 0.000 0.444 191 D N -0.182 120.291 120.400 0.122 0.000 2.097 191 D HA -0.156 4.490 4.640 0.009 0.000 0.195 191 D C 1.276 177.738 176.300 0.271 0.000 0.989 191 D CA 1.514 55.634 54.000 0.201 0.000 0.827 191 D CB -0.107 40.837 40.800 0.239 0.000 0.966 191 D HN 0.324 nan 8.370 nan 0.000 0.456 192 D N -0.208 120.313 120.400 0.201 0.000 2.123 192 D HA -0.134 4.512 4.640 0.009 0.000 0.196 192 D C 1.990 178.398 176.300 0.180 0.000 0.992 192 D CA 1.473 55.593 54.000 0.200 0.000 0.833 192 D CB -0.556 40.319 40.800 0.124 0.000 0.954 192 D HN 0.326 nan 8.370 nan 0.000 0.455 193 A N 0.555 123.442 122.820 0.112 0.000 1.930 193 A HA -0.189 4.137 4.320 0.009 0.000 0.217 193 A C 2.140 179.750 177.584 0.044 0.000 1.175 193 A CA 1.766 53.845 52.037 0.070 0.000 0.627 193 A CB -0.477 18.548 19.000 0.042 0.000 0.815 193 A HN 0.132 nan 8.150 nan 0.000 0.443 194 E N -0.769 119.439 120.200 0.013 0.000 2.031 194 E HA -0.198 4.158 4.350 0.009 0.000 0.193 194 E C 1.661 178.153 176.600 -0.181 0.000 0.994 194 E CA 1.646 57.978 56.400 -0.114 0.000 0.800 194 E CB -0.396 29.192 29.700 -0.187 0.000 0.752 194 E HN 0.735 nan 8.360 nan 0.000 0.447 195 W N 0.718 121.982 121.300 -0.061 0.000 2.358 195 W HA -0.129 4.536 4.660 0.009 0.000 0.303 195 W C 2.228 178.745 176.519 -0.003 0.000 1.208 195 W CA 1.300 58.580 57.345 -0.109 0.000 1.274 195 W CB -0.501 28.929 29.460 -0.049 0.000 1.138 195 W HN 0.232 nan 8.180 nan 0.000 0.515 196 D N 0.016 120.580 120.400 0.273 0.000 2.117 196 D HA -0.216 4.430 4.640 0.009 0.000 0.197 196 D C 2.151 178.524 176.300 0.122 0.000 0.987 196 D CA 1.483 55.612 54.000 0.216 0.000 0.829 196 D CB -0.224 40.659 40.800 0.140 0.000 0.961 196 D HN -0.022 nan 8.370 nan 0.000 0.460 197 R N -0.376 120.147 120.500 0.039 0.000 2.081 197 R HA -0.072 4.274 4.340 0.009 0.000 0.235 197 R C 2.430 178.690 176.300 -0.067 0.000 1.131 197 R CA 1.026 57.113 56.100 -0.022 0.000 0.960 197 R CB -0.247 30.019 30.300 -0.057 0.000 0.856 197 R HN 0.269 nan 8.270 nan 0.000 0.436 198 L N -0.658 120.491 121.223 -0.124 0.000 2.056 198 L HA -0.167 4.179 4.340 0.009 0.000 0.207 198 L C 2.258 179.062 176.870 -0.111 0.000 1.078 198 L CA 1.095 55.806 54.840 -0.215 0.000 0.749 198 L CB -0.556 41.256 42.059 -0.411 0.000 0.901 198 L HN 0.189 nan 8.230 nan 0.000 0.433 199 Y N 0.273 120.574 120.300 0.002 0.000 2.224 199 Y HA -0.217 4.338 4.550 0.009 0.000 0.289 199 Y C 2.851 178.735 175.900 -0.027 0.000 1.146 199 Y CA 1.430 59.543 58.100 0.021 0.000 1.182 199 Y CB -1.017 37.492 38.460 0.081 0.000 0.983 199 Y HN 0.125 nan 8.280 nan 0.000 0.524 200 T N -0.479 114.145 114.554 0.116 0.000 2.821 200 T HA -0.179 4.177 4.350 0.009 0.000 0.267 200 T C 1.981 176.654 174.700 -0.045 0.000 1.046 200 T CA 1.539 63.663 62.100 0.041 0.000 1.139 200 T CB -0.095 68.788 68.868 0.024 0.000 0.871 200 T HN 0.237 nan 8.240 nan 0.000 0.454 201 K N 0.773 121.092 120.400 -0.136 0.000 2.103 201 K HA 0.102 4.428 4.320 0.009 0.000 0.204 201 K C 2.497 178.800 176.600 -0.495 0.000 1.052 201 K CA 0.916 57.004 56.287 -0.333 0.000 0.945 201 K CB -0.223 32.030 32.500 -0.412 0.000 0.722 201 K HN 0.246 nan 8.250 nan 0.000 0.443 202 A N 1.402 124.042 122.820 -0.300 0.000 1.902 202 A HA -0.187 4.139 4.320 0.009 0.000 0.217 202 A C 1.793 179.397 177.584 0.034 0.000 1.181 202 A CA 1.666 53.593 52.037 -0.183 0.000 0.623 202 A CB -0.466 18.533 19.000 -0.000 0.000 0.818 202 A HN 0.447 nan 8.150 nan 0.000 0.443 203 E N -0.551 119.703 120.200 0.090 0.000 2.153 203 E HA -0.144 4.212 4.350 0.009 0.000 0.194 203 E C 2.232 178.917 176.600 0.143 0.000 0.988 203 E CA 1.125 57.619 56.400 0.156 0.000 0.811 203 E CB -0.143 29.620 29.700 0.106 0.000 0.746 203 E HN 0.605 nan 8.360 nan 0.000 0.466 204 S N -0.371 115.363 115.700 0.057 0.000 2.355 204 S HA -0.156 4.320 4.470 0.009 0.000 0.222 204 S C 1.811 176.550 174.600 0.231 0.000 1.031 204 S CA 0.873 59.132 58.200 0.099 0.000 0.993 204 S CB -0.196 63.025 63.200 0.036 0.000 0.859 204 S HN 0.267 nan 8.310 nan 0.000 0.453 205 Y N 0.304 120.615 120.300 0.018 0.000 2.165 205 Y HA 0.008 4.563 4.550 0.009 0.000 0.286 205 Y C 2.047 177.965 175.900 0.031 0.000 1.155 205 Y CA 0.376 58.455 58.100 -0.036 0.000 1.164 205 Y CB -1.111 37.246 38.460 -0.171 0.000 0.978 205 Y HN 0.331 nan 8.280 nan 0.000 0.513 206 F N 0.240 120.353 119.950 0.271 0.000 2.780 206 F HA 0.032 4.564 4.527 0.010 0.000 0.299 206 F C 0.843 176.761 175.800 0.198 0.000 1.146 206 F CA 0.147 58.297 58.000 0.251 0.000 1.428 206 F CB -0.353 38.816 39.000 0.282 0.000 1.115 206 F HN 0.020 nan 8.300 nan 0.000 0.583 207 Q N 0.421 120.413 119.800 0.321 0.000 2.468 207 Q HA -0.189 4.157 4.340 0.009 0.000 0.289 207 Q C 0.074 176.170 176.000 0.159 0.000 1.299 207 Q CA 0.772 56.692 55.803 0.195 0.000 0.838 207 Q CB -2.636 26.193 28.738 0.151 0.000 1.195 207 Q HN 0.224 nan 8.270 nan 0.000 0.456 208 T N 0.011 114.674 114.554 0.181 0.000 2.928 208 T HA 0.432 4.787 4.350 0.009 0.000 0.305 208 T C 0.782 175.522 174.700 0.067 0.000 1.035 208 T CA 0.588 62.758 62.100 0.116 0.000 1.145 208 T CB 1.294 70.237 68.868 0.124 0.000 0.963 208 T HN 0.484 nan 8.240 nan 0.000 0.545 209 G N 0.522 109.346 108.800 0.040 0.000 2.695 209 G HA2 0.552 4.518 3.960 0.009 0.000 0.290 209 G HA3 0.552 4.518 3.960 0.009 0.000 0.290 209 G C 0.106 175.024 174.900 0.031 0.000 1.410 209 G CA -0.570 44.545 45.100 0.025 0.000 0.844 209 G HN 0.643 nan 8.290 nan 0.000 0.478 210 T N -2.542 112.032 114.554 0.032 0.000 3.288 210 T HA 0.257 4.613 4.350 0.009 0.000 0.293 210 T C 0.162 174.896 174.700 0.058 0.000 1.008 210 T CA 0.534 62.665 62.100 0.053 0.000 0.929 210 T CB 0.390 69.291 68.868 0.055 0.000 1.152 210 T HN 0.485 nan 8.240 nan 0.000 0.517 211 D N 0.356 120.770 120.400 0.025 0.000 2.514 211 D HA 0.055 4.700 4.640 0.009 0.000 0.225 211 D C 1.397 177.655 176.300 -0.071 0.000 1.159 211 D CA -0.023 53.975 54.000 -0.004 0.000 0.823 211 D CB -0.155 40.631 40.800 -0.023 0.000 1.097 211 D HN 0.261 nan 8.370 nan 0.000 0.519 212 Q N -0.315 119.429 119.800 -0.093 0.000 2.364 212 Q HA 0.114 4.460 4.340 0.009 0.000 0.207 212 Q C 0.324 175.965 176.000 -0.598 0.000 0.970 212 Q CA 0.928 56.542 55.803 -0.314 0.000 0.888 212 Q CB -0.304 28.227 28.738 -0.345 0.000 0.951 212 Q HN 0.289 nan 8.270 nan 0.000 0.469 213 F N -0.083 119.724 119.950 -0.238 0.000 2.668 213 F HA 0.227 4.759 4.527 0.010 0.000 0.301 213 F C 1.250 176.879 175.800 -0.285 0.000 1.106 213 F CA -0.508 57.305 58.000 -0.312 0.000 1.289 213 F CB 0.278 39.015 39.000 -0.439 0.000 1.006 213 F HN 0.013 nan 8.300 nan 0.000 0.535 214 K N -0.225 120.126 120.400 -0.082 0.000 2.283 214 K HA -0.072 4.253 4.320 0.009 0.000 0.202 214 K C 0.802 177.431 176.600 0.048 0.000 1.048 214 K CA 1.351 57.669 56.287 0.052 0.000 0.948 214 K CB -0.069 32.453 32.500 0.037 0.000 0.742 214 K HN 0.122 nan 8.250 nan 0.000 0.458 215 E N 1.548 121.650 120.200 -0.163 0.000 2.437 215 E HA 0.021 4.376 4.350 0.009 0.000 0.189 215 E C -0.275 176.273 176.600 -0.088 0.000 1.054 215 E CA 0.073 56.221 56.400 -0.420 0.000 0.874 215 E CB 0.668 30.009 29.700 -0.600 0.000 1.011 215 E HN 0.244 nan 8.360 nan 0.000 0.474 216 S N 0.791 116.557 115.700 0.109 0.000 2.465 216 S HA 0.225 4.700 4.470 0.009 0.000 0.279 216 S C 1.309 176.036 174.600 0.211 0.000 1.201 216 S CA -0.507 57.788 58.200 0.157 0.000 1.053 216 S CB 0.392 63.715 63.200 0.206 0.000 0.953 216 S HN 0.089 nan 8.310 nan 0.000 0.488 217 I N 4.990 125.559 120.570 -0.001 0.000 2.179 217 I HA -0.168 4.007 4.170 0.009 0.000 0.242 217 I C 2.708 178.747 176.117 -0.129 0.000 1.088 217 I CA 1.128 62.203 61.300 -0.374 0.000 1.357 217 I CB -0.183 37.349 38.000 -0.781 0.000 1.051 217 I HN 0.704 nan 8.210 nan 0.000 0.409 218 R N -0.509 119.968 120.500 -0.039 0.000 2.073 218 R HA -0.243 4.102 4.340 0.009 0.000 0.234 218 R C 2.362 178.728 176.300 0.109 0.000 1.134 218 R CA 1.849 57.966 56.100 0.029 0.000 0.952 218 R CB -0.737 29.580 30.300 0.028 0.000 0.850 218 R HN 0.406 nan 8.270 nan 0.000 0.433 219 H N 1.262 120.374 119.070 0.071 0.000 2.265 219 H HA -0.127 4.434 4.556 0.009 0.000 0.295 219 H C 1.865 177.272 175.328 0.132 0.000 1.084 219 H CA 2.173 58.280 56.048 0.097 0.000 1.261 219 H CB -0.192 29.658 29.762 0.146 0.000 1.360 219 H HN 0.127 nan 8.280 nan 0.000 0.487 220 N N 0.019 118.838 118.700 0.197 0.000 2.084 220 N HA -0.146 4.599 4.740 0.009 0.000 0.190 220 N C 2.098 177.719 175.510 0.184 0.000 1.030 220 N CA 1.148 54.328 53.050 0.216 0.000 0.849 220 N CB -0.498 38.301 38.487 0.521 0.000 1.012 220 N HN 0.272 nan 8.380 nan 0.000 0.423 221 L N 1.281 122.648 121.223 0.239 0.000 2.021 221 L HA -0.165 4.180 4.340 0.009 0.000 0.215 221 L C 2.221 179.136 176.870 0.074 0.000 1.074 221 L CA 1.369 56.325 54.840 0.192 0.000 0.760 221 L CB -0.631 41.524 42.059 0.160 0.000 0.889 221 L HN -0.062 nan 8.230 nan 0.000 0.433 222 V N -1.068 118.857 119.914 0.019 0.000 2.323 222 V HA -0.256 3.869 4.120 0.009 0.000 0.244 222 V C 2.376 178.402 176.094 -0.114 0.000 1.041 222 V CA 1.758 64.040 62.300 -0.029 0.000 1.025 222 V CB -0.448 31.344 31.823 -0.052 0.000 0.656 222 V HN 0.471 nan 8.190 nan 0.000 0.451 223 L N 0.288 121.409 121.223 -0.171 0.000 2.056 223 L HA -0.167 4.178 4.340 0.009 0.000 0.207 223 L C 2.438 179.223 176.870 -0.142 0.000 1.078 223 L CA 1.711 56.429 54.840 -0.202 0.000 0.749 223 L CB -0.412 41.497 42.059 -0.250 0.000 0.901 223 L HN 0.366 nan 8.230 nan 0.000 0.433 224 N N 0.186 118.852 118.700 -0.057 0.000 2.120 224 N HA -0.228 4.517 4.740 0.009 0.000 0.188 224 N C 1.756 177.241 175.510 -0.042 0.000 1.024 224 N CA 1.266 54.304 53.050 -0.021 0.000 0.852 224 N CB -0.267 38.230 38.487 0.017 0.000 1.003 224 N HN 0.211 nan 8.380 nan 0.000 0.424 225 K N 1.366 121.741 120.400 -0.042 0.000 2.057 225 K HA 0.062 4.387 4.320 0.009 0.000 0.206 225 K C 1.956 178.511 176.600 -0.075 0.000 1.050 225 K CA 0.826 57.092 56.287 -0.035 0.000 0.935 225 K CB -0.438 32.061 32.500 -0.002 0.000 0.715 225 K HN 0.113 nan 8.250 nan 0.000 0.439 226 L N 0.669 121.773 121.223 -0.199 0.000 2.017 226 L HA -0.200 4.146 4.340 0.009 0.000 0.208 226 L C 2.560 179.262 176.870 -0.279 0.000 1.073 226 L CA 1.987 56.592 54.840 -0.391 0.000 0.745 226 L CB -1.299 40.068 42.059 -1.154 0.000 0.894 226 L HN 0.474 nan 8.230 nan 0.000 0.432 227 T N -2.712 111.699 114.554 -0.240 0.000 2.720 227 T HA -0.232 4.124 4.350 0.009 0.000 0.268 227 T C 1.587 176.358 174.700 0.118 0.000 1.037 227 T CA 1.539 63.702 62.100 0.105 0.000 1.144 227 T CB -0.394 68.551 68.868 0.128 0.000 0.864 227 T HN 0.403 nan 8.240 nan 0.000 0.444 228 E N 0.813 121.037 120.200 0.041 0.000 2.051 228 E HA -0.134 4.222 4.350 0.009 0.000 0.192 228 E C 2.587 179.205 176.600 0.030 0.000 0.991 228 E CA 1.225 57.643 56.400 0.029 0.000 0.799 228 E CB -0.100 29.598 29.700 -0.004 0.000 0.748 228 E HN 0.532 nan 8.360 nan 0.000 0.449 229 E N 0.194 120.404 120.200 0.017 0.000 2.150 229 E HA -0.147 4.208 4.350 0.009 0.000 0.193 229 E C 1.636 178.140 176.600 -0.159 0.000 0.985 229 E CA 0.999 57.350 56.400 -0.080 0.000 0.814 229 E CB -0.134 29.501 29.700 -0.108 0.000 0.752 229 E HN 0.423 nan 8.360 nan 0.000 0.466 230 Y N 0.508 120.861 120.300 0.087 0.000 2.529 230 Y HA 0.051 4.606 4.550 0.008 0.000 0.290 230 Y C 0.561 176.515 175.900 0.089 0.000 1.177 230 Y CA 0.227 58.402 58.100 0.126 0.000 1.305 230 Y CB 0.066 38.674 38.460 0.248 0.000 1.047 230 Y HN -0.110 nan 8.280 nan 0.000 0.522 231 K N 0.038 120.518 120.400 0.134 0.000 3.035 231 K HA -0.265 4.061 4.320 0.009 0.000 0.262 231 K C 1.122 177.782 176.600 0.100 0.000 1.024 231 K CA 0.717 57.053 56.287 0.081 0.000 0.748 231 K CB -1.711 30.806 32.500 0.029 0.000 1.247 231 K HN 0.636 nan 8.250 nan 0.000 0.482 232 G N -0.647 108.236 108.800 0.138 0.000 2.217 232 G HA2 -0.392 3.573 3.960 0.009 0.000 0.246 232 G HA3 -0.392 3.573 3.960 0.009 0.000 0.246 232 G C 0.707 175.677 174.900 0.117 0.000 0.990 232 G CA 0.492 45.660 45.100 0.114 0.000 0.627 232 G HN 0.458 nan 8.290 nan 0.000 0.522 233 Q N -0.272 119.620 119.800 0.154 0.000 2.378 233 Q HA 0.206 4.551 4.340 0.009 0.000 0.205 233 Q C 1.357 177.419 176.000 0.103 0.000 0.954 233 Q CA 0.771 56.655 55.803 0.134 0.000 0.901 233 Q CB 0.224 29.065 28.738 0.171 0.000 0.981 233 Q HN 0.561 nan 8.270 nan 0.000 0.483 234 R N -0.058 120.496 120.500 0.090 0.000 2.740 234 R HA 0.305 4.651 4.340 0.009 0.000 0.273 234 R C -1.527 174.698 176.300 -0.125 0.000 0.998 234 R CA -0.768 55.263 56.100 -0.115 0.000 0.900 234 R CB 1.624 31.636 30.300 -0.480 0.000 1.223 234 R HN -0.042 nan 8.270 nan 0.000 0.466 235 D N 1.741 121.997 120.400 -0.240 0.000 2.233 235 D HA 0.328 4.973 4.640 0.009 0.000 0.240 235 D C -0.785 175.290 176.300 -0.375 0.000 1.074 235 D CA 0.161 54.069 54.000 -0.152 0.000 0.838 235 D CB 1.060 41.812 40.800 -0.080 0.000 1.124 235 D HN 0.142 nan 8.370 nan 0.000 0.475 236 F N 1.263 121.212 119.950 -0.001 0.000 2.492 236 F HA 0.371 4.903 4.527 0.008 0.000 0.327 236 F C 0.797 176.607 175.800 0.017 0.000 1.079 236 F CA -0.662 57.333 58.000 -0.008 0.000 0.967 236 F CB 1.689 40.679 39.000 -0.017 0.000 1.169 236 F HN 0.211 nan 8.300 nan 0.000 0.472 237 Q N 0.175 120.084 119.800 0.181 0.000 2.707 237 Q HA 0.359 4.704 4.340 0.009 0.000 0.307 237 Q C -1.508 174.600 176.000 0.180 0.000 0.934 237 Q CA -1.294 54.601 55.803 0.154 0.000 0.753 237 Q CB 1.665 30.462 28.738 0.098 0.000 1.478 237 Q HN 0.623 nan 8.270 nan 0.000 0.458 238 Q N 0.897 120.827 119.800 0.217 0.000 2.337 238 Q HA 0.240 4.586 4.340 0.009 0.000 0.270 238 Q C -0.515 175.563 176.000 0.131 0.000 1.002 238 Q CA -0.251 55.702 55.803 0.249 0.000 0.888 238 Q CB 0.536 29.397 28.738 0.205 0.000 1.222 238 Q HN 0.585 nan 8.270 nan 0.000 0.400 239 I N 6.743 127.371 120.570 0.096 0.000 2.821 239 I HA -0.073 4.102 4.170 0.009 0.000 0.294 239 I C -1.955 174.185 176.117 0.038 0.000 1.210 239 I CA -1.300 60.026 61.300 0.043 0.000 1.430 239 I CB 0.118 38.108 38.000 -0.016 0.000 1.356 239 I HN 0.471 nan 8.210 nan 0.000 0.563 240 P HA 0.236 nan 4.420 nan 0.000 0.271 240 P C -0.908 176.387 177.300 -0.008 0.000 1.233 240 P CA 0.143 63.250 63.100 0.013 0.000 0.764 240 P CB 0.462 32.158 31.700 -0.006 0.000 0.825 241 L N 2.354 123.584 121.223 0.012 0.000 2.386 241 L HA 0.629 4.974 4.340 0.009 0.000 0.271 241 L C 0.325 177.195 176.870 -0.000 0.000 0.993 241 L CA -1.197 53.645 54.840 0.003 0.000 0.819 241 L CB 2.158 44.291 42.059 0.123 0.000 1.294 241 L HN 0.238 nan 8.230 nan 0.000 0.414 242 A N 3.046 125.824 122.820 -0.070 0.000 2.805 242 A HA 0.743 5.069 4.320 0.009 0.000 0.301 242 A C 0.057 177.679 177.584 0.064 0.000 1.557 242 A CA 0.140 52.186 52.037 0.014 0.000 1.254 242 A CB -0.423 18.528 19.000 -0.082 0.000 1.114 242 A HN 0.786 nan 8.150 nan 0.000 0.553 243 A N 1.688 124.512 122.820 0.006 0.000 2.597 243 A HA 0.783 5.109 4.320 0.009 0.000 0.292 243 A C -0.506 176.976 177.584 -0.170 0.000 1.057 243 A CA -0.488 51.459 52.037 -0.151 0.000 0.674 243 A CB 0.873 19.620 19.000 -0.421 0.000 1.278 243 A HN 0.627 nan 8.150 nan 0.000 0.416 244 T N 1.180 115.595 114.554 -0.232 0.000 2.879 244 T HA 0.489 4.844 4.350 0.009 0.000 0.290 244 T C -0.131 174.408 174.700 -0.268 0.000 0.993 244 T CA -0.457 61.529 62.100 -0.190 0.000 0.975 244 T CB 1.297 70.113 68.868 -0.087 0.000 0.981 244 T HN 0.754 nan 8.240 nan 0.000 0.439 245 R N 2.225 122.553 120.500 -0.287 0.000 2.442 245 R HA 0.231 4.576 4.340 0.009 0.000 0.291 245 R C 0.789 176.998 176.300 -0.152 0.000 1.069 245 R CA -0.283 55.636 56.100 -0.300 0.000 1.022 245 R CB 0.390 30.481 30.300 -0.349 0.000 0.976 245 R HN 0.389 nan 8.270 nan 0.000 0.443 246 R N 1.162 121.627 120.500 -0.059 0.000 2.225 246 R HA 0.141 4.486 4.340 0.009 0.000 0.194 246 R C 0.241 176.535 176.300 -0.011 0.000 0.957 246 R CA 0.788 56.899 56.100 0.018 0.000 1.042 246 R CB 0.192 30.588 30.300 0.161 0.000 1.004 246 R HN 0.789 nan 8.270 nan 0.000 0.509 247 S N -1.709 113.983 115.700 -0.013 0.000 2.661 247 S HA 0.378 4.853 4.470 0.009 0.000 0.268 247 S C -2.620 171.935 174.600 -0.075 0.000 1.162 247 S CA -1.031 57.147 58.200 -0.037 0.000 0.817 247 S CB 2.026 65.226 63.200 0.000 0.000 1.141 247 S HN -0.266 nan 8.310 nan 0.000 0.477 248 P HA 0.046 nan 4.420 nan 0.000 0.225 248 P C 0.989 178.244 177.300 -0.074 0.000 1.148 248 P CA 1.702 64.743 63.100 -0.099 0.000 0.779 248 P CB -0.133 31.525 31.700 -0.071 0.000 0.780 249 T N -6.783 107.762 114.554 -0.015 0.000 3.091 249 T HA 0.280 4.635 4.350 0.009 0.000 0.277 249 T C -0.231 174.513 174.700 0.074 0.000 0.996 249 T CA -0.349 61.764 62.100 0.022 0.000 0.897 249 T CB -0.592 68.310 68.868 0.056 0.000 1.109 249 T HN -0.126 nan 8.240 nan 0.000 0.534 250 F N 1.656 121.538 119.950 -0.114 0.000 2.562 250 F HA 0.668 5.201 4.527 0.009 0.000 0.319 250 F C -1.491 174.178 175.800 -0.219 0.000 1.154 250 F CA -1.055 56.874 58.000 -0.118 0.000 0.931 250 F CB 1.922 40.870 39.000 -0.088 0.000 1.198 250 F HN -0.115 nan 8.300 nan 0.000 0.444 251 V N 5.291 124.677 119.914 -0.881 0.000 2.448 251 V HA 0.259 4.384 4.120 0.009 0.000 0.295 251 V C -0.291 175.124 176.094 -1.131 0.000 1.025 251 V CA -0.835 60.905 62.300 -0.932 0.000 0.859 251 V CB 1.681 32.803 31.823 -1.168 0.000 0.988 251 V HN 0.723 nan 8.190 nan 0.000 0.431 252 E N 4.568 124.423 120.200 -0.575 0.000 1.865 252 E HA 0.121 4.477 4.350 0.009 0.000 0.269 252 E C -0.912 175.493 176.600 -0.324 0.000 1.177 252 E CA -0.514 55.724 56.400 -0.270 0.000 0.932 252 E CB 0.325 30.049 29.700 0.039 0.000 1.066 252 E HN 0.623 nan 8.360 nan 0.000 0.405 253 W N 2.731 123.911 121.300 -0.199 0.000 2.193 253 W HA 0.039 4.706 4.660 0.012 0.000 0.338 253 W C 0.798 177.348 176.519 0.052 0.000 1.310 253 W CA -0.452 56.775 57.345 -0.196 0.000 1.243 253 W CB 0.659 29.791 29.460 -0.546 0.000 1.165 253 W HN 0.305 nan 8.180 nan 0.000 0.566 254 S N 1.647 117.571 115.700 0.374 0.000 2.624 254 S HA 0.590 5.066 4.470 0.009 0.000 0.263 254 S C 0.158 175.206 174.600 0.747 0.000 1.287 254 S CA -0.414 58.076 58.200 0.484 0.000 0.990 254 S CB 1.124 64.613 63.200 0.482 0.000 0.950 254 S HN 0.528 nan 8.310 nan 0.000 0.561 255 S N -0.603 115.482 115.700 0.643 0.000 2.683 255 S HA 0.640 5.115 4.470 0.009 0.000 0.269 255 S C 0.684 175.486 174.600 0.337 0.000 1.165 255 S CA -0.329 58.178 58.200 0.513 0.000 0.840 255 S CB 0.467 63.889 63.200 0.370 0.000 1.169 255 S HN 0.745 nan 8.310 nan 0.000 0.490 256 A N 1.571 124.489 122.820 0.163 0.000 1.948 256 A HA -0.179 4.147 4.320 0.009 0.000 0.220 256 A C 2.000 179.634 177.584 0.085 0.000 1.177 256 A CA 2.151 54.240 52.037 0.087 0.000 0.636 256 A CB -1.529 17.493 19.000 0.037 0.000 0.815 256 A HN 0.863 nan 8.150 nan 0.000 0.449 257 N N -0.544 118.215 118.700 0.098 0.000 2.149 257 N HA -0.158 4.587 4.740 0.009 0.000 0.188 257 N C 1.489 177.026 175.510 0.045 0.000 1.019 257 N CA 2.035 55.114 53.050 0.050 0.000 0.857 257 N CB -0.214 38.315 38.487 0.070 0.000 0.997 257 N HN 0.462 nan 8.380 nan 0.000 0.426 258 T N 0.475 115.104 114.554 0.126 0.000 2.821 258 T HA -0.039 4.316 4.350 0.009 0.000 0.267 258 T C 2.080 176.811 174.700 0.052 0.000 1.046 258 T CA 0.979 63.155 62.100 0.127 0.000 1.139 258 T CB -0.129 68.889 68.868 0.251 0.000 0.871 258 T HN 0.056 nan 8.240 nan 0.000 0.454 259 V N -0.293 119.634 119.914 0.022 0.000 2.270 259 V HA 0.115 4.240 4.120 0.009 0.000 0.245 259 V C 0.567 176.615 176.094 -0.077 0.000 1.043 259 V CA 1.060 63.292 62.300 -0.113 0.000 1.014 259 V CB -0.352 31.360 31.823 -0.185 0.000 0.645 259 V HN 0.483 nan 8.190 nan 0.000 0.447 260 F N 0.916 120.738 119.950 -0.214 0.000 2.604 260 F HA 0.408 4.940 4.527 0.009 0.000 0.316 260 F C 0.123 175.805 175.800 -0.197 0.000 1.136 260 F CA -1.683 56.163 58.000 -0.257 0.000 0.989 260 F CB 1.488 40.284 39.000 -0.339 0.000 1.258 260 F HN 0.180 nan 8.300 nan 0.000 0.451 261 D N 4.646 124.551 120.400 -0.824 0.000 2.363 261 D HA -0.012 4.634 4.640 0.009 0.000 0.226 261 D C 1.181 177.181 176.300 -0.500 0.000 1.020 261 D CA 0.906 54.605 54.000 -0.501 0.000 0.892 261 D CB -0.084 40.482 40.800 -0.390 0.000 0.900 261 D HN 0.673 nan 8.370 nan 0.000 0.531 262 L N -1.745 118.986 121.223 -0.820 0.000 4.625 262 L HA -0.254 4.092 4.340 0.009 0.000 0.428 262 L C -0.216 176.605 176.870 -0.080 0.000 1.129 262 L CA 0.540 55.208 54.840 -0.287 0.000 0.978 262 L CB -1.382 40.670 42.059 -0.011 0.000 2.043 262 L HN 0.239 nan 8.230 nan 0.000 0.847 263 Q N 1.061 120.719 119.800 -0.237 0.000 2.332 263 Q HA 0.184 4.529 4.340 0.009 0.000 0.263 263 Q C 0.404 176.466 176.000 0.103 0.000 0.979 263 Q CA -0.000 55.756 55.803 -0.078 0.000 0.885 263 Q CB 0.492 29.154 28.738 -0.127 0.000 1.218 263 Q HN 0.154 nan 8.270 nan 0.000 0.405 264 N N 2.215 120.973 118.700 0.097 0.000 2.454 264 N HA 0.064 4.810 4.740 0.009 0.000 0.254 264 N C -0.259 175.312 175.510 0.103 0.000 1.228 264 N CA 0.436 53.548 53.050 0.105 0.000 0.900 264 N CB 0.561 39.017 38.487 -0.051 0.000 1.089 264 N HN 0.268 nan 8.380 nan 0.000 0.449 265 R N 1.295 121.885 120.500 0.150 0.000 2.744 265 R HA 0.486 4.832 4.340 0.009 0.000 0.279 265 R C -2.491 173.868 176.300 0.100 0.000 0.977 265 R CA -1.638 54.541 56.100 0.132 0.000 0.906 265 R CB 1.827 32.242 30.300 0.191 0.000 1.197 265 R HN 0.370 nan 8.270 nan 0.000 0.463 266 P HA 0.086 nan 4.420 nan 0.000 0.271 266 P C -1.294 176.061 177.300 0.092 0.000 1.218 266 P CA -0.208 62.982 63.100 0.149 0.000 0.780 266 P CB 0.617 32.455 31.700 0.230 0.000 0.901 267 N N -0.839 117.904 118.700 0.072 0.000 3.157 267 N HA 0.270 5.015 4.740 0.009 0.000 0.291 267 N C 0.509 176.036 175.510 0.028 0.000 1.515 267 N CA -0.736 52.337 53.050 0.038 0.000 0.807 267 N CB -0.561 37.936 38.487 0.017 0.000 1.672 267 N HN 0.039 nan 8.380 nan 0.000 0.592 268 T N -0.666 113.895 114.554 0.012 0.000 2.788 268 T HA -0.078 4.277 4.350 0.009 0.000 0.268 268 T C 0.372 175.073 174.700 0.002 0.000 1.044 268 T CA 1.518 63.622 62.100 0.006 0.000 1.139 268 T CB -0.464 68.403 68.868 -0.002 0.000 0.867 268 T HN 0.525 nan 8.240 nan 0.000 0.454 269 D N 1.267 121.665 120.400 -0.003 0.000 2.277 269 D HA 0.148 4.793 4.640 0.009 0.000 0.208 269 D C 0.846 177.149 176.300 0.004 0.000 0.962 269 D CA 0.489 54.484 54.000 -0.008 0.000 0.865 269 D CB 0.222 41.008 40.800 -0.025 0.000 0.939 269 D HN 0.376 nan 8.370 nan 0.000 0.510 270 A N 1.567 124.400 122.820 0.021 0.000 3.266 270 A HA 0.308 4.633 4.320 0.009 0.000 0.310 270 A C -2.082 175.550 177.584 0.079 0.000 1.066 270 A CA -0.874 51.191 52.037 0.046 0.000 0.839 270 A CB 1.038 20.068 19.000 0.051 0.000 1.192 270 A HN -0.164 nan 8.150 nan 0.000 0.496 271 P HA -0.004 nan 4.420 nan 0.000 0.236 271 P C 0.293 177.661 177.300 0.113 0.000 1.177 271 P CA 1.012 64.153 63.100 0.067 0.000 0.773 271 P CB 0.548 32.252 31.700 0.008 0.000 0.878 272 E N -0.235 120.049 120.200 0.140 0.000 2.548 272 E HA 0.181 4.536 4.350 0.009 0.000 0.206 272 E C 0.269 177.144 176.600 0.459 0.000 1.005 272 E CA 0.030 56.574 56.400 0.241 0.000 0.951 272 E CB 0.647 30.379 29.700 0.054 0.000 1.035 272 E HN 0.468 nan 8.360 nan 0.000 0.470 273 E N 0.822 121.210 120.200 0.314 0.000 2.232 273 E HA 0.523 4.879 4.350 0.009 0.000 0.265 273 E C -0.245 176.446 176.600 0.152 0.000 1.001 273 E CA -0.638 55.889 56.400 0.211 0.000 0.870 273 E CB 1.594 31.395 29.700 0.169 0.000 1.175 273 E HN -0.178 nan 8.360 nan 0.000 0.407 274 R N 1.690 122.238 120.500 0.079 0.000 2.500 274 R HA 0.400 4.745 4.340 0.009 0.000 0.299 274 R C -1.652 174.738 176.300 0.150 0.000 1.038 274 R CA -0.504 55.598 56.100 0.004 0.000 0.903 274 R CB 0.947 31.131 30.300 -0.194 0.000 1.177 274 R HN 0.386 nan 8.270 nan 0.000 0.455 275 F N 2.270 122.218 119.950 -0.003 0.000 2.604 275 F HA 0.441 4.974 4.527 0.009 0.000 0.316 275 F C -1.669 174.076 175.800 -0.091 0.000 1.136 275 F CA -0.688 57.303 58.000 -0.014 0.000 0.989 275 F CB 1.921 40.989 39.000 0.113 0.000 1.258 275 F HN 0.369 nan 8.300 nan 0.000 0.451 276 N N 4.765 122.813 118.700 -1.086 0.000 2.296 276 N HA 0.619 5.365 4.740 0.009 0.000 0.294 276 N C -1.998 172.507 175.510 -1.676 0.000 1.033 276 N CA -0.658 51.690 53.050 -1.170 0.000 0.839 276 N CB 2.327 40.290 38.487 -0.872 0.000 1.395 276 N HN 0.582 nan 8.380 nan 0.000 0.479 277 L N 2.530 122.990 121.223 -1.273 0.000 2.307 277 L HA 0.646 4.991 4.340 0.009 0.000 0.284 277 L C -1.696 174.631 176.870 -0.906 0.000 1.023 277 L CA -0.336 53.984 54.840 -0.867 0.000 0.810 277 L CB 0.259 42.170 42.059 -0.247 0.000 1.231 277 L HN 0.453 nan 8.230 nan 0.000 0.423 278 F N 6.453 126.151 119.950 -0.420 0.000 2.359 278 F HA 0.551 5.083 4.527 0.009 0.000 0.369 278 F C -2.108 173.634 175.800 -0.096 0.000 1.084 278 F CA -2.068 55.781 58.000 -0.252 0.000 1.096 278 F CB 0.707 39.524 39.000 -0.304 0.000 1.335 278 F HN 0.415 nan 8.300 nan 0.000 0.457 279 P HA 0.296 nan 4.420 nan 0.000 0.276 279 P C -0.025 177.332 177.300 0.096 0.000 1.261 279 P CA -0.202 62.939 63.100 0.068 0.000 0.800 279 P CB 0.954 32.673 31.700 0.031 0.000 1.066 280 A N -1.156 121.702 122.820 0.064 0.000 2.791 280 A HA -0.089 4.236 4.320 0.009 0.000 0.292 280 A C -0.103 177.512 177.584 0.052 0.000 1.487 280 A CA 0.710 52.777 52.037 0.050 0.000 0.760 280 A CB -2.422 16.608 19.000 0.049 0.000 1.031 280 A HN 0.249 nan 8.150 nan 0.000 0.503 281 V N -0.312 119.648 119.914 0.077 0.000 2.419 281 V HA 0.658 4.783 4.120 0.009 0.000 0.287 281 V C 0.534 176.646 176.094 0.030 0.000 1.017 281 V CA -0.295 62.061 62.300 0.094 0.000 0.844 281 V CB 1.450 33.428 31.823 0.258 0.000 1.011 281 V HN 1.516 nan 8.190 nan 0.000 0.429 282 A N 4.063 126.872 122.820 -0.017 0.000 2.302 282 A HA 0.478 4.803 4.320 0.009 0.000 0.295 282 A C 0.118 177.689 177.584 -0.022 0.000 1.235 282 A CA -0.154 51.852 52.037 -0.053 0.000 0.876 282 A CB -0.025 18.980 19.000 0.009 0.000 1.133 282 A HN 0.846 nan 8.150 nan 0.000 0.533 283 C N 2.794 122.056 119.300 -0.063 0.000 2.394 283 C HA 0.350 4.816 4.460 0.009 0.000 0.362 283 C C 1.356 176.314 174.990 -0.053 0.000 1.268 283 C CA -0.164 58.806 59.018 -0.079 0.000 1.828 283 C CB -0.419 27.267 27.740 -0.090 0.000 2.442 283 C HN 1.024 nan 8.230 nan 0.000 0.549 284 E N 0.778 120.961 120.200 -0.029 0.000 2.391 284 E HA 0.145 4.500 4.350 0.009 0.000 0.206 284 E C 0.582 177.155 176.600 -0.046 0.000 0.851 284 E CA 0.164 56.553 56.400 -0.019 0.000 1.059 284 E CB 0.707 30.416 29.700 0.015 0.000 1.065 284 E HN 0.622 nan 8.360 nan 0.000 0.512 285 R N 0.618 121.085 120.500 -0.055 0.000 2.629 285 R HA 0.264 4.609 4.340 0.009 0.000 0.266 285 R C -1.709 174.497 176.300 -0.156 0.000 1.051 285 R CA -0.552 55.477 56.100 -0.118 0.000 0.895 285 R CB 1.821 32.017 30.300 -0.174 0.000 1.246 285 R HN -0.039 nan 8.270 nan 0.000 0.459 286 V N 0.959 120.772 119.914 -0.169 0.000 2.483 286 V HA 0.656 4.781 4.120 0.009 0.000 0.295 286 V C -0.377 175.578 176.094 -0.232 0.000 1.035 286 V CA -0.760 61.405 62.300 -0.225 0.000 0.896 286 V CB 1.671 33.347 31.823 -0.245 0.000 0.986 286 V HN 0.415 nan 8.190 nan 0.000 0.447 287 V N 5.623 125.372 119.914 -0.276 0.000 2.406 287 V HA 0.457 4.583 4.120 0.009 0.000 0.272 287 V C 0.625 176.640 176.094 -0.132 0.000 1.043 287 V CA -0.443 61.721 62.300 -0.226 0.000 0.915 287 V CB 0.943 32.637 31.823 -0.215 0.000 0.988 287 V HN 0.940 nan 8.190 nan 0.000 0.466 288 R N 3.797 124.245 120.500 -0.086 0.000 2.357 288 R HA 0.300 4.645 4.340 0.009 0.000 0.296 288 R C 0.312 176.622 176.300 0.016 0.000 1.052 288 R CA -0.619 55.501 56.100 0.034 0.000 0.988 288 R CB 0.668 30.974 30.300 0.011 0.000 1.025 288 R HN 0.877 nan 8.270 nan 0.000 0.469 289 N N 1.753 120.481 118.700 0.048 0.000 2.297 289 N HA -0.052 4.694 4.740 0.009 0.000 0.232 289 N C 0.566 176.064 175.510 -0.019 0.000 1.311 289 N CA 0.310 53.365 53.050 0.007 0.000 0.897 289 N CB 0.463 38.954 38.487 0.007 0.000 1.137 289 N HN 0.582 nan 8.380 nan 0.000 0.449 290 A N 0.455 123.258 122.820 -0.029 0.000 1.969 290 A HA -0.020 4.305 4.320 0.009 0.000 0.218 290 A C 2.212 179.763 177.584 -0.055 0.000 1.169 290 A CA 0.766 52.780 52.037 -0.038 0.000 0.635 290 A CB -0.745 18.237 19.000 -0.030 0.000 0.810 290 A HN 0.665 nan 8.150 nan 0.000 0.445 291 L N -0.901 120.280 121.223 -0.070 0.000 2.465 291 L HA -0.089 4.256 4.340 0.009 0.000 0.224 291 L C 0.098 176.866 176.870 -0.169 0.000 1.145 291 L CA 0.260 55.040 54.840 -0.101 0.000 0.834 291 L CB -0.476 41.521 42.059 -0.103 0.000 0.944 291 L HN 0.445 nan 8.230 nan 0.000 0.451 292 N N 0.015 118.599 118.700 -0.193 0.000 2.740 292 N HA -0.173 4.573 4.740 0.009 0.000 0.248 292 N C 0.849 175.772 175.510 -0.978 0.000 1.062 292 N CA 1.045 53.862 53.050 -0.389 0.000 0.704 292 N CB -1.255 37.136 38.487 -0.160 0.000 0.968 292 N HN 0.529 nan 8.380 nan 0.000 0.547 293 S N -2.004 113.289 115.700 -0.678 0.000 2.666 293 S HA 0.288 4.764 4.470 0.009 0.000 0.239 293 S C 0.240 174.649 174.600 -0.317 0.000 1.031 293 S CA -0.185 57.668 58.200 -0.579 0.000 1.015 293 S CB 1.561 64.611 63.200 -0.250 0.000 0.981 293 S HN 0.384 nan 8.310 nan 0.000 0.547 294 E N 0.212 120.346 120.200 -0.110 0.000 2.375 294 E HA 0.429 4.784 4.350 0.009 0.000 0.280 294 E C -1.801 174.977 176.600 0.296 0.000 0.972 294 E CA -0.823 55.690 56.400 0.189 0.000 0.782 294 E CB 1.297 31.067 29.700 0.117 0.000 1.229 294 E HN 0.099 nan 8.360 nan 0.000 0.439 295 I N 3.343 124.039 120.570 0.211 0.000 2.385 295 I HA 0.168 4.343 4.170 0.009 0.000 0.294 295 I C 0.802 176.844 176.117 -0.124 0.000 0.988 295 I CA -0.001 61.246 61.300 -0.089 0.000 1.265 295 I CB 1.360 39.082 38.000 -0.463 0.000 1.388 295 I HN 0.669 nan 8.210 nan 0.000 0.480 296 E N 2.998 123.124 120.200 -0.123 0.000 2.413 296 E HA 0.106 4.461 4.350 0.009 0.000 0.203 296 E C 0.176 176.809 176.600 0.055 0.000 0.957 296 E CA 0.302 56.713 56.400 0.020 0.000 0.950 296 E CB 0.607 30.326 29.700 0.032 0.000 0.957 296 E HN 0.691 nan 8.360 nan 0.000 0.497 297 S N -0.338 115.304 115.700 -0.097 0.000 2.595 297 S HA 0.498 4.974 4.470 0.009 0.000 0.270 297 S C -1.571 173.014 174.600 -0.025 0.000 1.145 297 S CA -1.065 57.187 58.200 0.086 0.000 0.825 297 S CB 1.292 64.603 63.200 0.186 0.000 1.107 297 S HN 0.010 nan 8.310 nan 0.000 0.461 298 L N 1.934 123.267 121.223 0.183 0.000 2.325 298 L HA 0.576 4.921 4.340 0.009 0.000 0.281 298 L C -0.859 176.106 176.870 0.158 0.000 1.004 298 L CA -0.142 54.756 54.840 0.098 0.000 0.823 298 L CB 1.087 43.207 42.059 0.103 0.000 1.236 298 L HN 0.919 nan 8.230 nan 0.000 0.415 299 H N 6.199 125.220 119.070 -0.082 0.000 2.562 299 H HA 0.540 5.102 4.556 0.009 0.000 0.314 299 H C -0.397 174.874 175.328 -0.095 0.000 1.079 299 H CA -0.550 55.455 56.048 -0.071 0.000 1.349 299 H CB 1.371 31.097 29.762 -0.061 0.000 1.432 299 H HN 0.687 nan 8.280 nan 0.000 0.479 300 I N -0.250 120.316 120.570 -0.007 0.000 3.002 300 I HA 0.379 4.555 4.170 0.009 0.000 0.310 300 I C -0.819 175.346 176.117 0.081 0.000 1.087 300 I CA -0.972 60.310 61.300 -0.029 0.000 1.017 300 I CB 3.010 40.896 38.000 -0.189 0.000 1.226 300 I HN 0.579 nan 8.210 nan 0.000 0.443 301 H N 2.176 121.236 119.070 -0.017 0.000 2.762 301 H HA 0.303 4.864 4.556 0.009 0.000 0.310 301 H C -1.438 173.928 175.328 0.063 0.000 1.004 301 H CA -0.567 55.482 56.048 0.002 0.000 1.267 301 H CB 1.453 31.218 29.762 0.004 0.000 1.437 301 H HN 0.851 nan 8.280 nan 0.000 0.498 302 D N 4.934 125.357 120.400 0.039 0.000 2.363 302 D HA 0.015 4.660 4.640 0.009 0.000 0.263 302 D C 1.162 177.329 176.300 -0.223 0.000 1.258 302 D CA -0.071 53.935 54.000 0.010 0.000 0.907 302 D CB 0.871 41.807 40.800 0.228 0.000 1.107 302 D HN 0.596 nan 8.370 nan 0.000 0.495 303 L N 4.263 125.359 121.223 -0.212 0.000 2.313 303 L HA -0.069 4.276 4.340 0.009 0.000 0.214 303 L C 1.604 178.422 176.870 -0.086 0.000 1.119 303 L CA 0.094 54.794 54.840 -0.233 0.000 0.809 303 L CB -0.172 41.840 42.059 -0.078 0.000 0.933 303 L HN 0.651 nan 8.230 nan 0.000 0.449 304 I N -0.459 120.096 120.570 -0.024 0.000 2.339 304 I HA -0.145 4.031 4.170 0.009 0.000 0.245 304 I C 2.748 178.879 176.117 0.025 0.000 1.096 304 I CA 1.627 62.936 61.300 0.014 0.000 1.408 304 I CB -1.061 36.960 38.000 0.034 0.000 1.092 304 I HN 0.276 nan 8.210 nan 0.000 0.423 305 S N 0.360 116.087 115.700 0.044 0.000 2.436 305 S HA 0.088 4.564 4.470 0.009 0.000 0.228 305 S C 1.844 176.477 174.600 0.056 0.000 1.014 305 S CA 0.897 59.136 58.200 0.065 0.000 0.950 305 S CB 0.049 63.321 63.200 0.119 0.000 0.784 305 S HN 0.582 nan 8.310 nan 0.000 0.504 306 G N 0.930 109.752 108.800 0.036 0.000 2.195 306 G HA2 -0.187 3.778 3.960 0.009 0.000 0.246 306 G HA3 -0.187 3.778 3.960 0.009 0.000 0.246 306 G C -0.361 174.637 174.900 0.163 0.000 0.984 306 G CA 0.182 45.348 45.100 0.109 0.000 0.633 306 G HN 0.568 nan 8.290 nan 0.000 0.525 307 D N 0.319 120.749 120.400 0.051 0.000 2.329 307 D HA 0.549 5.194 4.640 0.009 0.000 0.246 307 D C 0.799 176.921 176.300 -0.297 0.000 1.111 307 D CA -0.027 53.865 54.000 -0.179 0.000 0.941 307 D CB 0.694 41.286 40.800 -0.347 0.000 1.169 307 D HN 0.308 nan 8.370 nan 0.000 0.441 308 R N 0.758 120.917 120.500 -0.569 0.000 2.514 308 R HA 0.579 4.924 4.340 0.009 0.000 0.301 308 R C -0.831 174.966 176.300 -0.838 0.000 0.962 308 R CA -0.605 55.217 56.100 -0.463 0.000 0.882 308 R CB 1.105 31.241 30.300 -0.272 0.000 1.143 308 R HN 0.285 nan 8.270 nan 0.000 0.452 309 F N 0.032 119.917 119.950 -0.107 0.000 2.643 309 F HA 0.312 4.844 4.527 0.009 0.000 0.314 309 F C -0.037 175.633 175.800 -0.216 0.000 1.096 309 F CA -1.067 56.847 58.000 -0.144 0.000 0.953 309 F CB 1.705 40.641 39.000 -0.107 0.000 1.345 309 F HN 0.439 nan 8.300 nan 0.000 0.468 310 E N 1.481 121.690 120.200 0.014 0.000 2.263 310 E HA 0.741 5.096 4.350 0.009 0.000 0.264 310 E C -1.554 175.078 176.600 0.054 0.000 0.923 310 E CA -0.875 55.508 56.400 -0.029 0.000 0.802 310 E CB 2.664 32.317 29.700 -0.078 0.000 1.228 310 E HN 0.310 nan 8.360 nan 0.000 0.417 311 I N 1.543 122.159 120.570 0.077 0.000 2.466 311 I HA 0.326 4.501 4.170 0.009 0.000 0.289 311 I C -0.526 175.721 176.117 0.216 0.000 1.026 311 I CA -1.012 60.361 61.300 0.122 0.000 1.078 311 I CB 1.499 39.527 38.000 0.047 0.000 1.249 311 I HN 0.560 nan 8.210 nan 0.000 0.429 312 K N 4.812 125.335 120.400 0.205 0.000 2.159 312 K HA 0.838 5.163 4.320 0.009 0.000 0.266 312 K C -0.973 175.718 176.600 0.151 0.000 0.975 312 K CA -0.276 56.141 56.287 0.217 0.000 0.865 312 K CB 1.694 34.280 32.500 0.143 0.000 1.087 312 K HN 0.806 nan 8.250 nan 0.000 0.446 313 A N 2.767 125.605 122.820 0.030 0.000 2.566 313 A HA 0.427 4.752 4.320 0.009 0.000 0.292 313 A C -0.449 177.038 177.584 -0.162 0.000 1.112 313 A CA -0.647 51.264 52.037 -0.209 0.000 0.707 313 A CB 0.995 19.616 19.000 -0.632 0.000 1.302 313 A HN 0.752 nan 8.150 nan 0.000 0.409 314 D N -0.525 119.812 120.400 -0.105 0.000 2.162 314 D HA 0.113 4.759 4.640 0.009 0.000 0.203 314 D C 0.295 176.513 176.300 -0.137 0.000 0.967 314 D CA 1.594 55.595 54.000 0.002 0.000 0.840 314 D CB 0.187 41.043 40.800 0.093 0.000 0.972 314 D HN 0.207 nan 8.370 nan 0.000 0.482 315 V N 0.829 120.521 119.914 -0.371 0.000 2.588 315 V HA 0.284 4.409 4.120 0.009 0.000 0.304 315 V C -1.239 174.596 176.094 -0.432 0.000 1.042 315 V CA -0.884 61.196 62.300 -0.367 0.000 0.877 315 V CB 1.758 33.257 31.823 -0.540 0.000 0.996 315 V HN -0.063 nan 8.190 nan 0.000 0.425 316 Y N 2.852 123.138 120.300 -0.023 0.000 2.364 316 Y HA 0.728 5.284 4.550 0.009 0.000 0.340 316 Y C -0.117 175.748 175.900 -0.058 0.000 0.975 316 Y CA -1.029 57.044 58.100 -0.045 0.000 1.089 316 Y CB 2.149 40.578 38.460 -0.051 0.000 1.192 316 Y HN 0.341 nan 8.280 nan 0.000 0.454 317 V N 5.328 125.215 119.914 -0.044 0.000 2.483 317 V HA 0.392 4.517 4.120 0.009 0.000 0.297 317 V C -0.573 175.393 176.094 -0.213 0.000 1.027 317 V CA -0.924 61.235 62.300 -0.235 0.000 0.855 317 V CB 1.672 33.145 31.823 -0.583 0.000 0.995 317 V HN 0.596 nan 8.190 nan 0.000 0.424 318 L N 5.084 126.179 121.223 -0.214 0.000 2.265 318 L HA 0.623 4.969 4.340 0.009 0.000 0.289 318 L C 0.312 177.085 176.870 -0.163 0.000 1.033 318 L CA -0.162 54.573 54.840 -0.175 0.000 0.814 318 L CB 1.662 43.597 42.059 -0.207 0.000 1.203 318 L HN 0.828 nan 8.230 nan 0.000 0.423 319 T N -1.456 113.040 114.554 -0.096 0.000 3.866 319 T HA 0.370 4.725 4.350 0.009 0.000 0.241 319 T C 0.457 175.168 174.700 0.018 0.000 1.017 319 T CA -0.150 61.934 62.100 -0.027 0.000 1.300 319 T CB 0.965 69.819 68.868 -0.023 0.000 0.968 319 T HN 0.543 nan 8.240 nan 0.000 0.595 320 A N 0.748 123.587 122.820 0.033 0.000 2.379 320 A HA 0.806 5.132 4.320 0.009 0.000 0.236 320 A C 1.334 178.998 177.584 0.134 0.000 1.272 320 A CA 0.050 52.128 52.037 0.068 0.000 0.886 320 A CB -0.665 18.370 19.000 0.059 0.000 0.962 320 A HN 1.789 nan 8.150 nan 0.000 0.504 321 G N -2.450 106.430 108.800 0.133 0.000 2.662 321 G HA2 0.279 4.245 3.960 0.009 0.000 0.686 321 G HA3 0.279 4.245 3.960 0.009 0.000 0.686 321 G C 0.741 175.750 174.900 0.181 0.000 1.271 321 G CA -0.309 44.882 45.100 0.153 0.000 0.816 321 G HN 1.272 nan 8.290 nan 0.000 0.608 322 A N -0.299 122.613 122.820 0.153 0.000 1.933 322 A HA 0.192 4.518 4.320 0.009 0.000 0.218 322 A C 2.668 180.335 177.584 0.139 0.000 1.175 322 A CA 3.242 55.359 52.037 0.133 0.000 0.628 322 A CB -0.409 18.641 19.000 0.083 0.000 0.814 322 A HN 1.603 nan 8.150 nan 0.000 0.444 323 V N -0.943 119.019 119.914 0.079 0.000 2.283 323 V HA -0.217 3.908 4.120 0.009 0.000 0.243 323 V C 2.290 178.346 176.094 -0.064 0.000 1.039 323 V CA 2.301 64.592 62.300 -0.016 0.000 1.016 323 V CB -1.012 30.705 31.823 -0.176 0.000 0.650 323 V HN 0.728 nan 8.190 nan 0.000 0.449 324 H N -0.292 118.854 119.070 0.126 0.000 2.470 324 H HA -0.012 4.549 4.556 0.009 0.000 0.289 324 H C 2.300 177.626 175.328 -0.003 0.000 1.033 324 H CA 1.037 57.114 56.048 0.047 0.000 1.331 324 H CB 0.028 29.800 29.762 0.018 0.000 1.414 324 H HN 0.309 nan 8.280 nan 0.000 0.545 325 N N -0.175 118.595 118.700 0.116 0.000 2.104 325 N HA -0.132 4.614 4.740 0.009 0.000 0.190 325 N C 1.723 177.209 175.510 -0.040 0.000 1.024 325 N CA 1.864 54.914 53.050 0.001 0.000 0.853 325 N CB -0.506 37.971 38.487 -0.017 0.000 1.008 325 N HN 0.339 nan 8.380 nan 0.000 0.424 326 T N 0.706 115.308 114.554 0.079 0.000 2.746 326 T HA -0.159 4.196 4.350 0.009 0.000 0.267 326 T C 1.846 176.411 174.700 -0.225 0.000 1.039 326 T CA 1.076 63.226 62.100 0.083 0.000 1.142 326 T CB -0.192 68.863 68.868 0.311 0.000 0.866 326 T HN 0.357 nan 8.240 nan 0.000 0.444 327 Q N 0.137 119.697 119.800 -0.400 0.000 2.050 327 Q HA -0.116 4.229 4.340 0.009 0.000 0.202 327 Q C 2.296 178.016 176.000 -0.466 0.000 0.980 327 Q CA 1.150 56.384 55.803 -0.949 0.000 0.840 327 Q CB -0.241 28.237 28.738 -0.433 0.000 0.898 327 Q HN 0.336 nan 8.270 nan 0.000 0.424 328 L N 0.638 121.727 121.223 -0.224 0.000 2.083 328 L HA -0.130 4.216 4.340 0.009 0.000 0.209 328 L C 2.010 178.788 176.870 -0.154 0.000 1.083 328 L CA 1.511 56.258 54.840 -0.156 0.000 0.752 328 L CB -0.574 41.416 42.059 -0.116 0.000 0.899 328 L HN 0.309 nan 8.230 nan 0.000 0.433 329 L N -2.076 119.037 121.223 -0.183 0.000 2.027 329 L HA -0.178 4.168 4.340 0.009 0.000 0.206 329 L C 2.405 179.301 176.870 0.043 0.000 1.074 329 L CA 0.858 55.616 54.840 -0.137 0.000 0.745 329 L CB -0.576 41.296 42.059 -0.312 0.000 0.898 329 L HN 0.051 nan 8.230 nan 0.000 0.433 330 V N -0.009 119.857 119.914 -0.081 0.000 2.407 330 V HA -0.267 3.859 4.120 0.009 0.000 0.248 330 V C 2.089 178.157 176.094 -0.044 0.000 1.055 330 V CA 1.959 64.240 62.300 -0.032 0.000 1.049 330 V CB -0.699 31.075 31.823 -0.082 0.000 0.662 330 V HN 0.486 nan 8.190 nan 0.000 0.455 331 N N 0.044 118.673 118.700 -0.117 0.000 2.520 331 N HA -0.098 4.648 4.740 0.009 0.000 0.185 331 N C 1.521 176.998 175.510 -0.055 0.000 1.068 331 N CA 1.095 54.096 53.050 -0.081 0.000 0.911 331 N CB -0.045 38.382 38.487 -0.101 0.000 0.961 331 N HN 0.392 nan 8.380 nan 0.000 0.446 332 S N -1.427 114.261 115.700 -0.019 0.000 2.577 332 S HA 0.310 4.786 4.470 0.009 0.000 0.219 332 S C 1.064 175.620 174.600 -0.074 0.000 0.962 332 S CA 0.259 58.449 58.200 -0.017 0.000 0.921 332 S CB 0.459 63.706 63.200 0.078 0.000 0.789 332 S HN 0.535 nan 8.310 nan 0.000 0.497 333 G N 1.149 109.916 108.800 -0.055 0.000 2.141 333 G HA2 -0.238 3.727 3.960 0.009 0.000 0.231 333 G HA3 -0.238 3.727 3.960 0.009 0.000 0.231 333 G C -0.086 174.695 174.900 -0.198 0.000 0.984 333 G CA -0.466 44.555 45.100 -0.133 0.000 0.660 333 G HN 0.423 nan 8.290 nan 0.000 0.525 334 F N 0.818 120.734 119.950 -0.056 0.000 2.371 334 F HA 0.559 5.091 4.527 0.009 0.000 0.329 334 F C 1.567 177.373 175.800 0.010 0.000 1.107 334 F CA 0.893 58.875 58.000 -0.031 0.000 1.137 334 F CB 1.046 40.001 39.000 -0.074 0.000 1.214 334 F HN 0.777 nan 8.300 nan 0.000 0.536 335 G N 1.938 110.878 108.800 0.235 0.000 2.564 335 G HA2 -0.288 3.678 3.960 0.009 0.000 0.273 335 G HA3 -0.288 3.678 3.960 0.009 0.000 0.273 335 G C -0.787 174.185 174.900 0.121 0.000 1.242 335 G CA -0.160 45.044 45.100 0.174 0.000 0.951 335 G HN 0.798 nan 8.290 nan 0.000 0.564 336 Q N -1.031 118.845 119.800 0.126 0.000 2.304 336 Q HA 0.628 4.974 4.340 0.009 0.000 0.270 336 Q C -0.691 175.389 176.000 0.133 0.000 1.035 336 Q CA -0.988 54.870 55.803 0.092 0.000 0.781 336 Q CB 1.729 30.502 28.738 0.057 0.000 1.261 336 Q HN 0.774 nan 8.270 nan 0.000 0.444 337 L N 3.382 124.673 121.223 0.115 0.000 2.417 337 L HA 0.689 5.034 4.340 0.009 0.000 0.268 337 L C 0.381 177.335 176.870 0.140 0.000 1.158 337 L CA 1.870 56.804 54.840 0.158 0.000 0.819 337 L CB 0.884 43.010 42.059 0.111 0.000 1.112 337 L HN 0.826 nan 8.230 nan 0.000 0.458 338 G N 3.514 112.456 108.800 0.236 0.000 2.728 338 G HA2 -0.215 3.751 3.960 0.009 0.000 0.294 338 G HA3 -0.215 3.751 3.960 0.009 0.000 0.294 338 G C -0.517 174.291 174.900 -0.153 0.000 1.342 338 G CA -0.232 44.965 45.100 0.162 0.000 0.866 338 G HN 0.905 nan 8.290 nan 0.000 0.534 339 R N 0.757 120.950 120.500 -0.511 0.000 2.484 339 R HA 0.367 4.712 4.340 0.009 0.000 0.293 339 R C -1.927 173.926 176.300 -0.746 0.000 1.023 339 R CA -0.684 54.667 56.100 -1.247 0.000 1.037 339 R CB 0.015 29.880 30.300 -0.725 0.000 0.951 339 R HN 0.339 nan 8.270 nan 0.000 0.418 340 P HA -0.029 nan 4.420 nan 0.000 0.264 340 P C -1.161 175.976 177.300 -0.272 0.000 1.183 340 P CA 0.318 63.171 63.100 -0.412 0.000 0.763 340 P CB 0.479 31.964 31.700 -0.359 0.000 0.807 341 N N 4.083 122.681 118.700 -0.170 0.000 2.648 341 N HA 0.191 4.937 4.740 0.009 0.000 0.261 341 N C -1.971 173.493 175.510 -0.076 0.000 1.138 341 N CA -2.356 50.624 53.050 -0.117 0.000 0.804 341 N CB 0.814 39.241 38.487 -0.099 0.000 1.237 341 N HN 0.089 nan 8.380 nan 0.000 0.532 342 P HA -0.072 nan 4.420 nan 0.000 0.225 342 P C 0.803 178.084 177.300 -0.031 0.000 1.148 342 P CA 0.637 63.710 63.100 -0.045 0.000 0.779 342 P CB 0.334 32.007 31.700 -0.044 0.000 0.780 343 A N -0.233 122.567 122.820 -0.034 0.000 2.119 343 A HA -0.077 4.249 4.320 0.009 0.000 0.216 343 A C 1.382 178.954 177.584 -0.020 0.000 1.152 343 A CA 0.592 52.614 52.037 -0.025 0.000 0.708 343 A CB -0.930 18.054 19.000 -0.026 0.000 0.805 343 A HN 0.322 nan 8.150 nan 0.000 0.460 344 N N 0.264 118.950 118.700 -0.023 0.000 2.752 344 N HA 0.255 5.000 4.740 0.009 0.000 0.260 344 N C -3.249 172.253 175.510 -0.013 0.000 1.562 344 N CA -1.452 51.588 53.050 -0.017 0.000 0.788 344 N CB 1.127 39.603 38.487 -0.020 0.000 1.192 344 N HN -0.019 nan 8.380 nan 0.000 0.503 345 P HA 0.216 nan 4.420 nan 0.000 0.271 345 P C -2.596 174.713 177.300 0.015 0.000 1.216 345 P CA -0.888 62.215 63.100 0.006 0.000 0.776 345 P CB 0.232 31.938 31.700 0.011 0.000 0.881 346 P HA 0.093 nan 4.420 nan 0.000 0.271 346 P C 0.402 177.725 177.300 0.039 0.000 1.218 346 P CA 0.125 63.247 63.100 0.037 0.000 0.780 346 P CB 1.008 32.746 31.700 0.062 0.000 0.901 347 E N 0.568 120.785 120.200 0.029 0.000 2.318 347 E HA 0.046 4.401 4.350 0.009 0.000 0.193 347 E C 0.254 176.884 176.600 0.050 0.000 0.998 347 E CA 0.353 56.770 56.400 0.029 0.000 0.859 347 E CB 0.117 29.823 29.700 0.010 0.000 0.812 347 E HN 0.276 nan 8.360 nan 0.000 0.492 348 L N 1.029 122.289 121.223 0.061 0.000 2.307 348 L HA 0.242 4.587 4.340 0.009 0.000 0.284 348 L C 0.167 177.153 176.870 0.192 0.000 1.023 348 L CA -0.269 54.642 54.840 0.118 0.000 0.810 348 L CB 0.958 43.043 42.059 0.043 0.000 1.231 348 L HN 0.052 nan 8.230 nan 0.000 0.423 349 L N 6.642 128.007 121.223 0.236 0.000 3.823 349 L HA -0.190 4.155 4.340 0.009 0.000 0.525 349 L C -1.363 175.618 176.870 0.186 0.000 1.247 349 L CA -0.327 54.656 54.840 0.238 0.000 0.776 349 L CB -0.632 41.603 42.059 0.293 0.000 1.443 349 L HN 0.615 nan 8.230 nan 0.000 0.831 350 P HA -0.104 nan 4.420 nan 0.000 0.222 350 P C 1.283 178.678 177.300 0.159 0.000 1.147 350 P CA 0.998 64.176 63.100 0.129 0.000 0.790 350 P CB 0.287 32.045 31.700 0.097 0.000 0.780 351 S N -0.515 115.298 115.700 0.188 0.000 2.562 351 S HA 0.033 4.508 4.470 0.009 0.000 0.221 351 S C 0.882 175.638 174.600 0.260 0.000 0.975 351 S CA -0.335 58.023 58.200 0.264 0.000 0.918 351 S CB -0.801 62.543 63.200 0.239 0.000 0.772 351 S HN 0.074 nan 8.310 nan 0.000 0.531 352 L N 2.317 123.670 121.223 0.217 0.000 2.559 352 L HA 0.355 4.700 4.340 0.009 0.000 0.274 352 L C 1.202 178.208 176.870 0.227 0.000 1.205 352 L CA 1.204 56.173 54.840 0.215 0.000 0.907 352 L CB -0.420 41.753 42.059 0.190 0.000 1.153 352 L HN 0.335 nan 8.230 nan 0.000 0.490 353 G N 2.335 111.277 108.800 0.238 0.000 2.179 353 G HA2 -0.273 3.693 3.960 0.009 0.000 0.260 353 G HA3 -0.273 3.693 3.960 0.009 0.000 0.260 353 G C 0.471 175.491 174.900 0.199 0.000 0.977 353 G CA 0.338 45.577 45.100 0.231 0.000 0.641 353 G HN 0.829 nan 8.290 nan 0.000 0.533 354 S N -1.321 114.503 115.700 0.207 0.000 2.722 354 S HA 0.635 5.111 4.470 0.009 0.000 0.292 354 S C 0.404 175.148 174.600 0.241 0.000 1.135 354 S CA 0.139 58.403 58.200 0.107 0.000 1.003 354 S CB 0.799 63.968 63.200 -0.052 0.000 1.067 354 S HN 0.923 nan 8.310 nan 0.000 0.546 355 Y N -0.993 119.374 120.300 0.111 0.000 4.177 355 Y HA -0.201 4.355 4.550 0.009 0.000 0.227 355 Y C 0.512 176.493 175.900 0.134 0.000 1.154 355 Y CA 0.175 58.340 58.100 0.108 0.000 1.887 355 Y CB -2.114 36.405 38.460 0.098 0.000 1.594 355 Y HN 0.611 nan 8.280 nan 0.000 0.668 356 I N 0.068 120.785 120.570 0.245 0.000 2.692 356 I HA 0.431 4.606 4.170 0.009 0.000 0.284 356 I C 0.667 176.947 176.117 0.272 0.000 1.159 356 I CA 0.447 61.891 61.300 0.240 0.000 1.423 356 I CB 1.251 39.391 38.000 0.233 0.000 1.380 356 I HN 0.216 nan 8.210 nan 0.000 0.580 357 T N 2.082 116.758 114.554 0.204 0.000 2.841 357 T HA 0.670 5.025 4.350 0.009 0.000 0.283 357 T C -0.615 174.105 174.700 0.033 0.000 1.000 357 T CA -0.674 61.532 62.100 0.177 0.000 0.977 357 T CB 2.012 70.943 68.868 0.105 0.000 0.979 357 T HN 0.818 nan 8.240 nan 0.000 0.446 358 E N 1.528 121.717 120.200 -0.019 0.000 2.314 358 E HA 0.337 4.692 4.350 0.009 0.000 0.272 358 E C -1.045 175.650 176.600 0.159 0.000 0.884 358 E CA -0.585 55.763 56.400 -0.087 0.000 0.753 358 E CB 1.977 31.420 29.700 -0.427 0.000 1.213 358 E HN 0.718 nan 8.360 nan 0.000 0.432 359 Q N 1.264 121.163 119.800 0.164 0.000 2.327 359 Q HA 0.397 4.743 4.340 0.009 0.000 0.254 359 Q C -0.372 175.802 176.000 0.290 0.000 0.952 359 Q CA -0.276 55.670 55.803 0.240 0.000 0.884 359 Q CB 1.093 29.997 28.738 0.276 0.000 1.224 359 Q HN 0.460 nan 8.270 nan 0.000 0.422 360 S N 1.733 117.539 115.700 0.175 0.000 2.562 360 S HA 0.267 4.742 4.470 0.009 0.000 0.281 360 S C -0.572 174.047 174.600 0.032 0.000 1.333 360 S CA -0.428 57.745 58.200 -0.044 0.000 1.052 360 S CB 0.332 63.407 63.200 -0.208 0.000 0.884 360 S HN 0.378 nan 8.310 nan 0.000 0.506 361 L N 4.733 125.933 121.223 -0.039 0.000 2.409 361 L HA 0.717 5.063 4.340 0.009 0.000 0.272 361 L C -0.789 175.889 176.870 -0.321 0.000 0.980 361 L CA -0.684 54.022 54.840 -0.223 0.000 0.826 361 L CB 1.652 43.536 42.059 -0.291 0.000 1.268 361 L HN 0.475 nan 8.230 nan 0.000 0.407 362 V N 2.114 121.771 119.914 -0.428 0.000 2.715 362 V HA 0.765 4.890 4.120 0.009 0.000 0.310 362 V C -1.097 174.842 176.094 -0.258 0.000 1.054 362 V CA -0.640 61.352 62.300 -0.513 0.000 0.928 362 V CB 1.695 33.049 31.823 -0.781 0.000 1.007 362 V HN 0.801 nan 8.190 nan 0.000 0.437 363 F N 4.991 124.724 119.950 -0.363 0.000 2.591 363 F HA 0.874 5.402 4.527 0.002 0.000 0.309 363 F C -0.404 175.306 175.800 -0.150 0.000 1.098 363 F CA -0.462 57.432 58.000 -0.176 0.000 0.937 363 F CB 1.446 40.391 39.000 -0.092 0.000 1.250 363 F HN 1.204 nan 8.300 nan 0.000 0.447 364 C N 3.164 121.985 119.300 -0.798 0.000 3.318 364 C HA 0.831 5.296 4.460 0.009 0.000 0.322 364 C C -1.605 173.007 174.990 -0.630 0.000 1.398 364 C CA -0.663 57.852 59.018 -0.838 0.000 1.339 364 C CB 1.703 29.123 27.740 -0.534 0.000 1.668 364 C HN 0.944 nan 8.230 nan 0.000 0.462 365 Q N 0.694 120.298 119.800 -0.327 0.000 2.348 365 Q HA 0.756 5.102 4.340 0.009 0.000 0.271 365 Q C -0.382 175.709 176.000 0.151 0.000 1.067 365 Q CA -0.263 55.570 55.803 0.049 0.000 0.839 365 Q CB 2.623 31.390 28.738 0.047 0.000 1.354 365 Q HN 0.928 nan 8.270 nan 0.000 0.447 366 T N -2.553 112.165 114.554 0.275 0.000 2.942 366 T HA 0.698 5.053 4.350 0.009 0.000 0.289 366 T C -0.458 174.325 174.700 0.138 0.000 1.044 366 T CA -0.738 61.466 62.100 0.173 0.000 1.023 366 T CB 1.220 70.194 68.868 0.176 0.000 1.123 366 T HN 0.265 nan 8.240 nan 0.000 0.512 367 V N 2.448 122.403 119.914 0.069 0.000 2.384 367 V HA 0.401 4.526 4.120 0.009 0.000 0.287 367 V C 0.289 176.408 176.094 0.042 0.000 1.020 367 V CA -0.929 61.403 62.300 0.054 0.000 0.850 367 V CB 1.197 33.038 31.823 0.030 0.000 0.987 367 V HN 1.017 nan 8.190 nan 0.000 0.436 368 M N 4.722 124.355 119.600 0.055 0.000 2.248 368 M HA 0.102 4.588 4.480 0.009 0.000 0.343 368 M C 0.865 177.179 176.300 0.025 0.000 1.243 368 M CA 0.716 56.047 55.300 0.052 0.000 1.025 368 M CB 0.648 33.278 32.600 0.049 0.000 1.759 368 M HN 0.931 nan 8.290 nan 0.000 0.452 369 S N 2.497 118.208 115.700 0.018 0.000 2.572 369 S HA 0.083 4.558 4.470 0.009 0.000 0.279 369 S C 1.000 175.606 174.600 0.010 0.000 1.341 369 S CA -0.152 58.049 58.200 0.000 0.000 1.043 369 S CB 0.631 63.826 63.200 -0.009 0.000 0.887 369 S HN 0.809 nan 8.310 nan 0.000 0.516 370 T N 2.044 116.599 114.554 0.003 0.000 2.699 370 T HA -0.154 4.201 4.350 0.009 0.000 0.268 370 T C 1.617 176.327 174.700 0.015 0.000 1.036 370 T CA 2.016 64.121 62.100 0.009 0.000 1.147 370 T CB -0.523 68.346 68.868 0.003 0.000 0.862 370 T HN 0.790 nan 8.240 nan 0.000 0.446 371 E N 0.428 120.634 120.200 0.010 0.000 2.085 371 E HA -0.095 4.260 4.350 0.009 0.000 0.194 371 E C 2.225 178.843 176.600 0.031 0.000 0.994 371 E CA 0.952 57.361 56.400 0.015 0.000 0.801 371 E CB -0.244 29.458 29.700 0.003 0.000 0.743 371 E HN 0.430 nan 8.360 nan 0.000 0.453 372 L N 0.582 121.827 121.223 0.036 0.000 2.072 372 L HA -0.171 4.174 4.340 0.009 0.000 0.205 372 L C 2.377 179.287 176.870 0.067 0.000 1.079 372 L CA 0.394 55.268 54.840 0.057 0.000 0.752 372 L CB -0.259 41.835 42.059 0.058 0.000 0.906 372 L HN 0.202 nan 8.230 nan 0.000 0.436 373 I N 0.098 120.695 120.570 0.046 0.000 2.163 373 I HA -0.297 3.879 4.170 0.009 0.000 0.243 373 I C 2.163 178.311 176.117 0.051 0.000 1.085 373 I CA 1.559 62.882 61.300 0.038 0.000 1.347 373 I CB -1.160 36.854 38.000 0.024 0.000 1.044 373 I HN 0.281 nan 8.210 nan 0.000 0.408 374 D N 0.612 121.042 120.400 0.050 0.000 2.144 374 D HA -0.137 4.508 4.640 0.009 0.000 0.199 374 D C 2.387 178.735 176.300 0.081 0.000 0.984 374 D CA 1.631 55.664 54.000 0.057 0.000 0.834 374 D CB -0.143 40.682 40.800 0.042 0.000 0.955 374 D HN 0.382 nan 8.370 nan 0.000 0.465 375 S N 0.174 115.930 115.700 0.094 0.000 2.400 375 S HA -0.156 4.320 4.470 0.009 0.000 0.232 375 S C 2.198 176.943 174.600 0.242 0.000 1.025 375 S CA 1.115 59.399 58.200 0.141 0.000 0.993 375 S CB -0.676 62.599 63.200 0.125 0.000 0.808 375 S HN 0.102 nan 8.310 nan 0.000 0.478 376 V N 3.017 123.058 119.914 0.212 0.000 2.453 376 V HA -0.184 3.942 4.120 0.009 0.000 0.252 376 V C 2.184 178.391 176.094 0.188 0.000 1.068 376 V CA 2.213 64.660 62.300 0.245 0.000 1.070 376 V CB -0.896 30.971 31.823 0.074 0.000 0.664 376 V HN 0.833 nan 8.190 nan 0.000 0.461 377 K N 0.258 120.739 120.400 0.135 0.000 2.498 377 K HA 0.191 4.516 4.320 0.009 0.000 0.207 377 K C 1.540 178.205 176.600 0.109 0.000 1.033 377 K CA 0.664 57.013 56.287 0.104 0.000 1.138 377 K CB 0.191 32.736 32.500 0.076 0.000 0.860 377 K HN 0.420 nan 8.250 nan 0.000 0.490 378 S N 0.601 116.391 115.700 0.151 0.000 2.442 378 S HA -0.138 4.337 4.470 0.009 0.000 0.236 378 S C 1.006 175.645 174.600 0.065 0.000 1.007 378 S CA 1.070 59.327 58.200 0.096 0.000 0.965 378 S CB -0.189 63.053 63.200 0.069 0.000 0.773 378 S HN 0.269 nan 8.310 nan 0.000 0.504 379 D N 0.743 121.197 120.400 0.091 0.000 2.350 379 D HA 0.209 4.855 4.640 0.009 0.000 0.213 379 D C 0.209 176.565 176.300 0.094 0.000 1.031 379 D CA 0.307 54.346 54.000 0.065 0.000 0.861 379 D CB 0.010 40.844 40.800 0.056 0.000 0.926 379 D HN 0.378 nan 8.370 nan 0.000 0.520 380 M N 0.484 120.135 119.600 0.085 0.000 2.235 380 M HA 0.181 4.667 4.480 0.009 0.000 0.351 380 M C 0.282 176.614 176.300 0.054 0.000 1.178 380 M CA 0.106 55.459 55.300 0.089 0.000 1.143 380 M CB 0.938 33.580 32.600 0.070 0.000 1.530 380 M HN -0.336 nan 8.290 nan 0.000 0.461 381 T N 4.555 119.133 114.554 0.040 0.000 2.738 381 T HA 0.622 4.978 4.350 0.009 0.000 0.298 381 T C 0.135 174.815 174.700 -0.032 0.000 0.962 381 T CA -0.293 61.810 62.100 0.005 0.000 0.972 381 T CB 0.164 69.031 68.868 -0.002 0.000 0.928 381 T HN 0.418 nan 8.240 nan 0.000 0.474 382 I N 4.144 124.693 120.570 -0.035 0.000 2.362 382 I HA 0.475 4.651 4.170 0.009 0.000 0.289 382 I C 0.303 176.380 176.117 -0.068 0.000 0.994 382 I CA -0.739 60.510 61.300 -0.085 0.000 1.158 382 I CB 1.343 39.331 38.000 -0.021 0.000 1.315 382 I HN 0.312 nan 8.210 nan 0.000 0.451 383 R N 4.153 124.575 120.500 -0.130 0.000 2.621 383 R HA 0.784 5.129 4.340 0.009 0.000 0.292 383 R C -0.095 176.214 176.300 0.016 0.000 0.969 383 R CA -0.707 55.365 56.100 -0.045 0.000 0.887 383 R CB 2.210 32.483 30.300 -0.044 0.000 1.180 383 R HN 0.877 nan 8.270 nan 0.000 0.450 384 G N 0.838 109.702 108.800 0.107 0.000 2.660 384 G HA2 -0.227 3.738 3.960 0.009 0.000 0.247 384 G HA3 -0.227 3.738 3.960 0.009 0.000 0.247 384 G C -0.691 174.393 174.900 0.308 0.000 1.328 384 G CA -0.435 44.781 45.100 0.193 0.000 0.884 384 G HN 0.717 nan 8.290 nan 0.000 0.531 385 T N -0.820 113.865 114.554 0.219 0.000 2.807 385 T HA 0.713 5.068 4.350 0.009 0.000 0.279 385 T C -2.652 171.915 174.700 -0.222 0.000 0.993 385 T CA -1.527 60.603 62.100 0.051 0.000 0.970 385 T CB 2.305 71.178 68.868 0.008 0.000 0.950 385 T HN 0.487 nan 8.240 nan 0.000 0.441 386 P HA 0.276 nan 4.420 nan 0.000 0.264 386 P C 1.232 178.272 177.300 -0.434 0.000 1.183 386 P CA 1.282 63.772 63.100 -1.017 0.000 0.763 386 P CB 0.242 31.529 31.700 -0.688 0.000 0.807 387 G N 1.341 109.933 108.800 -0.345 0.000 2.217 387 G HA2 -0.210 3.756 3.960 0.009 0.000 0.246 387 G HA3 -0.210 3.756 3.960 0.009 0.000 0.246 387 G C 0.083 174.942 174.900 -0.069 0.000 0.990 387 G CA -0.223 44.791 45.100 -0.145 0.000 0.627 387 G HN 0.553 nan 8.290 nan 0.000 0.522 388 E N -0.374 119.796 120.200 -0.050 0.000 2.254 388 E HA 0.616 4.971 4.350 0.009 0.000 0.261 388 E C 1.381 178.014 176.600 0.054 0.000 1.051 388 E CA -0.746 55.658 56.400 0.007 0.000 0.902 388 E CB 1.096 30.807 29.700 0.018 0.000 1.168 388 E HN 0.097 nan 8.360 nan 0.000 0.423 389 L N 0.459 121.708 121.223 0.044 0.000 2.127 389 L HA -0.170 4.175 4.340 0.009 0.000 0.211 389 L C 2.195 179.104 176.870 0.065 0.000 1.089 389 L CA 1.597 56.465 54.840 0.047 0.000 0.757 389 L CB -0.565 41.512 42.059 0.029 0.000 0.899 389 L HN 0.651 nan 8.230 nan 0.000 0.434 390 T N -4.978 109.624 114.554 0.080 0.000 3.086 390 T HA -0.012 4.344 4.350 0.009 0.000 0.250 390 T C 0.353 175.118 174.700 0.108 0.000 1.074 390 T CA -0.323 61.820 62.100 0.073 0.000 0.988 390 T CB -0.329 68.573 68.868 0.057 0.000 0.988 390 T HN 0.083 nan 8.240 nan 0.000 0.530 391 Y N 3.703 124.005 120.300 0.003 0.000 2.425 391 Y HA 0.441 4.997 4.550 0.009 0.000 0.331 391 Y C 0.196 176.100 175.900 0.006 0.000 1.157 391 Y CA -0.451 57.652 58.100 0.005 0.000 1.372 391 Y CB 0.574 39.036 38.460 0.003 0.000 1.253 391 Y HN 0.353 nan 8.280 nan 0.000 0.536 392 S N 4.169 119.561 115.700 -0.513 0.000 2.537 392 S HA 0.769 5.245 4.470 0.009 0.000 0.270 392 S C -2.030 172.244 174.600 -0.543 0.000 1.142 392 S CA -0.969 56.975 58.200 -0.427 0.000 0.870 392 S CB 1.359 64.455 63.200 -0.174 0.000 1.112 392 S HN 0.520 nan 8.310 nan 0.000 0.466 393 V N 2.422 122.132 119.914 -0.340 0.000 2.525 393 V HA 0.817 4.943 4.120 0.009 0.000 0.299 393 V C -0.111 175.957 176.094 -0.043 0.000 1.034 393 V CA -0.074 62.113 62.300 -0.189 0.000 0.863 393 V CB 1.404 33.152 31.823 -0.124 0.000 0.999 393 V HN 1.246 nan 8.190 nan 0.000 0.423 394 T N 1.773 116.328 114.554 0.003 0.000 2.896 394 T HA 0.885 5.240 4.350 0.009 0.000 0.297 394 T C -1.050 173.736 174.700 0.144 0.000 1.108 394 T CA -0.723 61.402 62.100 0.042 0.000 1.004 394 T CB 2.382 71.231 68.868 -0.033 0.000 1.159 394 T HN 0.873 nan 8.240 nan 0.000 0.499 395 Y N -1.630 118.665 120.300 -0.008 0.000 2.644 395 Y HA 0.771 5.327 4.550 0.009 0.000 0.338 395 Y C -0.838 175.059 175.900 -0.004 0.000 1.119 395 Y CA -1.404 56.694 58.100 -0.002 0.000 1.060 395 Y CB 0.699 39.166 38.460 0.012 0.000 1.294 395 Y HN 0.645 nan 8.280 nan 0.000 0.472 396 T N 4.360 118.865 114.554 -0.083 0.000 2.738 396 T HA 0.388 4.744 4.350 0.009 0.000 0.298 396 T C -2.772 171.874 174.700 -0.090 0.000 0.962 396 T CA -1.265 60.743 62.100 -0.153 0.000 0.972 396 T CB 0.506 69.352 68.868 -0.036 0.000 0.928 396 T HN 0.352 nan 8.240 nan 0.000 0.474 397 P HA 0.244 nan 4.420 nan 0.000 0.268 397 P C 1.119 178.447 177.300 0.047 0.000 1.204 397 P CA 0.542 63.649 63.100 0.012 0.000 0.768 397 P CB 0.407 32.076 31.700 -0.052 0.000 0.842 398 G N 1.869 110.727 108.800 0.097 0.000 2.184 398 G HA2 -0.231 3.735 3.960 0.009 0.000 0.264 398 G HA3 -0.231 3.735 3.960 0.009 0.000 0.264 398 G C 0.457 175.376 174.900 0.031 0.000 0.975 398 G CA 0.050 45.183 45.100 0.055 0.000 0.642 398 G HN 0.870 nan 8.290 nan 0.000 0.536 399 A N 0.678 123.518 122.820 0.035 0.000 2.524 399 A HA 0.612 4.938 4.320 0.009 0.000 0.250 399 A C 1.746 179.327 177.584 -0.004 0.000 1.078 399 A CA 1.270 53.315 52.037 0.012 0.000 0.761 399 A CB 0.247 19.257 19.000 0.015 0.000 1.012 399 A HN 1.694 nan 8.150 nan 0.000 0.500 400 S N 1.709 117.402 115.700 -0.012 0.000 2.447 400 S HA -0.157 4.319 4.470 0.009 0.000 0.233 400 S C 1.438 176.013 174.600 -0.041 0.000 1.006 400 S CA 1.535 59.720 58.200 -0.025 0.000 0.957 400 S CB -0.829 62.359 63.200 -0.020 0.000 0.773 400 S HN 1.122 nan 8.310 nan 0.000 0.507 401 T N -0.663 113.868 114.554 -0.038 0.000 3.148 401 T HA 0.162 4.518 4.350 0.009 0.000 0.253 401 T C 0.438 175.092 174.700 -0.076 0.000 1.134 401 T CA -0.365 61.703 62.100 -0.052 0.000 1.051 401 T CB -0.613 68.232 68.868 -0.039 0.000 0.959 401 T HN 0.191 nan 8.240 nan 0.000 0.525 402 N N 2.286 120.942 118.700 -0.072 0.000 2.458 402 N HA 0.187 4.933 4.740 0.009 0.000 0.258 402 N C 0.892 176.264 175.510 -0.230 0.000 1.219 402 N CA -0.172 52.809 53.050 -0.114 0.000 0.902 402 N CB 1.020 39.467 38.487 -0.067 0.000 1.076 402 N HN 0.047 nan 8.380 nan 0.000 0.455 403 K N 1.152 121.328 120.400 -0.374 0.000 2.147 403 K HA -0.009 4.316 4.320 0.009 0.000 0.205 403 K C 0.171 176.254 176.600 -0.861 0.000 1.049 403 K CA 1.365 57.265 56.287 -0.645 0.000 0.936 403 K CB -0.087 31.893 32.500 -0.867 0.000 0.722 403 K HN 0.583 nan 8.250 nan 0.000 0.446 404 H N -0.810 117.955 119.070 -0.508 0.000 2.679 404 H HA 0.314 4.876 4.556 0.009 0.000 0.367 404 H C -2.305 172.724 175.328 -0.499 0.000 1.162 404 H CA -2.538 53.052 56.048 -0.764 0.000 1.181 404 H CB 1.342 30.263 29.762 -1.402 0.000 1.693 404 H HN -0.101 nan 8.280 nan 0.000 0.538 405 P HA 0.017 nan 4.420 nan 0.000 0.274 405 P C 0.253 177.409 177.300 -0.241 0.000 1.256 405 P CA -0.285 62.673 63.100 -0.236 0.000 0.795 405 P CB 1.376 32.954 31.700 -0.203 0.000 1.038 406 D N -0.168 120.210 120.400 -0.038 0.000 2.117 406 D HA -0.138 4.508 4.640 0.009 0.000 0.197 406 D C 1.942 178.281 176.300 0.064 0.000 0.987 406 D CA 1.331 55.373 54.000 0.070 0.000 0.829 406 D CB -0.596 40.331 40.800 0.211 0.000 0.961 406 D HN 0.616 nan 8.370 nan 0.000 0.460 407 W N 0.395 121.766 121.300 0.119 0.000 2.342 407 W HA -0.167 4.498 4.660 0.008 0.000 0.297 407 W C 1.964 178.556 176.519 0.123 0.000 1.213 407 W CA 0.263 57.672 57.345 0.107 0.000 1.251 407 W CB -1.284 28.235 29.460 0.099 0.000 1.136 407 W HN 0.060 nan 8.180 nan 0.000 0.526 408 W N 3.387 124.175 121.300 -0.853 0.000 2.378 408 W HA -0.160 4.506 4.660 0.010 0.000 0.313 408 W C 1.915 178.137 176.519 -0.495 0.000 1.197 408 W CA 1.748 58.565 57.345 -0.879 0.000 1.304 408 W CB -1.062 27.665 29.460 -1.222 0.000 1.148 408 W HN -0.103 nan 8.180 nan 0.000 0.494 409 N N 0.965 119.562 118.700 -0.171 0.000 2.244 409 N HA -0.181 4.564 4.740 0.009 0.000 0.183 409 N C 1.500 176.724 175.510 -0.478 0.000 1.016 409 N CA 1.742 54.513 53.050 -0.466 0.000 0.866 409 N CB -0.516 37.291 38.487 -1.133 0.000 0.980 409 N HN 0.244 nan 8.380 nan 0.000 0.430 410 E N 1.517 121.579 120.200 -0.230 0.000 2.051 410 E HA -0.095 4.260 4.350 0.009 0.000 0.192 410 E C 1.626 178.267 176.600 0.068 0.000 0.991 410 E CA 1.201 57.642 56.400 0.068 0.000 0.799 410 E CB 0.061 29.880 29.700 0.198 0.000 0.748 410 E HN 0.021 nan 8.360 nan 0.000 0.449 411 K N 0.015 120.448 120.400 0.055 0.000 2.044 411 K HA -0.118 4.208 4.320 0.009 0.000 0.210 411 K C 2.189 178.785 176.600 -0.006 0.000 1.049 411 K CA 1.402 57.712 56.287 0.038 0.000 0.927 411 K CB -0.737 31.775 32.500 0.021 0.000 0.713 411 K HN 0.146 nan 8.250 nan 0.000 0.443 412 V N 1.712 121.578 119.914 -0.080 0.000 2.323 412 V HA -0.210 3.915 4.120 0.009 0.000 0.244 412 V C 2.601 178.721 176.094 0.042 0.000 1.041 412 V CA 1.713 63.978 62.300 -0.058 0.000 1.025 412 V CB -0.438 31.324 31.823 -0.101 0.000 0.656 412 V HN 0.384 nan 8.190 nan 0.000 0.451 413 K N 0.517 120.941 120.400 0.039 0.000 2.020 413 K HA -0.272 4.054 4.320 0.009 0.000 0.212 413 K C 2.014 178.677 176.600 0.105 0.000 1.050 413 K CA 2.234 58.582 56.287 0.101 0.000 0.929 413 K CB -0.289 32.329 32.500 0.197 0.000 0.714 413 K HN 0.437 nan 8.250 nan 0.000 0.443 414 N N 0.115 118.882 118.700 0.110 0.000 2.166 414 N HA -0.181 4.564 4.740 0.009 0.000 0.186 414 N C 1.789 177.370 175.510 0.118 0.000 1.019 414 N CA 1.354 54.466 53.050 0.103 0.000 0.856 414 N CB -0.548 38.003 38.487 0.108 0.000 0.993 414 N HN 0.442 nan 8.380 nan 0.000 0.426 415 H N 0.986 120.085 119.070 0.049 0.000 2.293 415 H HA 0.088 4.649 4.556 0.009 0.000 0.300 415 H C 2.135 177.511 175.328 0.080 0.000 1.082 415 H CA 1.734 57.819 56.048 0.062 0.000 1.308 415 H CB -0.108 29.596 29.762 -0.096 0.000 1.375 415 H HN 0.071 nan 8.280 nan 0.000 0.495 416 M N -0.775 118.859 119.600 0.056 0.000 2.117 416 M HA -0.174 4.312 4.480 0.009 0.000 0.262 416 M C 1.961 178.318 176.300 0.095 0.000 1.065 416 M CA 1.353 56.689 55.300 0.061 0.000 1.114 416 M CB -0.066 32.626 32.600 0.154 0.000 1.361 416 M HN 0.348 nan 8.290 nan 0.000 0.408 417 M N -0.332 119.318 119.600 0.082 0.000 2.236 417 M HA -0.108 4.378 4.480 0.009 0.000 0.266 417 M C 1.886 178.177 176.300 -0.015 0.000 1.070 417 M CA 1.630 56.980 55.300 0.084 0.000 1.137 417 M CB -1.009 31.626 32.600 0.059 0.000 1.378 417 M HN 0.349 nan 8.290 nan 0.000 0.426 418 Q N -0.907 118.826 119.800 -0.110 0.000 2.389 418 Q HA -0.039 4.306 4.340 0.009 0.000 0.204 418 Q C 0.025 175.663 176.000 -0.604 0.000 0.944 418 Q CA 0.676 56.294 55.803 -0.309 0.000 0.908 418 Q CB 0.388 28.940 28.738 -0.310 0.000 1.002 418 Q HN 0.552 nan 8.270 nan 0.000 0.493 419 H N -0.020 118.972 119.070 -0.130 0.000 2.511 419 H HA 0.182 4.744 4.556 0.010 0.000 0.228 419 H C 0.118 175.349 175.328 -0.163 0.000 1.424 419 H CA -0.084 55.876 56.048 -0.148 0.000 1.321 419 H CB 0.503 30.086 29.762 -0.298 0.000 1.720 419 H HN 0.241 nan 8.280 nan 0.000 0.512 420 Q N 0.583 120.354 119.800 -0.048 0.000 2.364 420 Q HA -0.116 4.229 4.340 0.009 0.000 0.207 420 Q C 1.873 177.825 176.000 -0.081 0.000 0.970 420 Q CA 0.951 56.694 55.803 -0.100 0.000 0.888 420 Q CB 0.398 29.041 28.738 -0.158 0.000 0.951 420 Q HN 0.526 nan 8.270 nan 0.000 0.469 421 E N 1.207 121.403 120.200 -0.006 0.000 2.427 421 E HA -0.115 4.240 4.350 0.009 0.000 0.196 421 E C -0.329 176.302 176.600 0.053 0.000 1.028 421 E CA 0.553 56.965 56.400 0.020 0.000 0.864 421 E CB 0.020 29.751 29.700 0.052 0.000 0.813 421 E HN 0.171 nan 8.360 nan 0.000 0.514 422 D N 1.972 122.415 120.400 0.071 0.000 2.249 422 D HA 0.128 4.773 4.640 0.009 0.000 0.246 422 D C -1.618 174.723 176.300 0.068 0.000 1.114 422 D CA -2.137 51.929 54.000 0.110 0.000 0.854 422 D CB 1.637 42.534 40.800 0.161 0.000 1.132 422 D HN -0.153 nan 8.370 nan 0.000 0.461 423 P HA 0.123 nan 4.420 nan 0.000 0.255 423 P C -0.251 177.088 177.300 0.066 0.000 1.248 423 P CA 0.102 63.236 63.100 0.056 0.000 0.807 423 P CB 0.441 32.168 31.700 0.045 0.000 1.150 424 L N 1.699 122.974 121.223 0.086 0.000 2.334 424 L HA 0.397 4.742 4.340 0.009 0.000 0.272 424 L C -1.465 175.437 176.870 0.053 0.000 1.020 424 L CA -2.255 52.610 54.840 0.042 0.000 0.812 424 L CB 2.480 44.536 42.059 -0.005 0.000 1.264 424 L HN -0.305 nan 8.230 nan 0.000 0.439 425 P HA 0.135 nan 4.420 nan 0.000 0.261 425 P C 0.156 177.289 177.300 -0.279 0.000 1.268 425 P CA 0.389 63.473 63.100 -0.027 0.000 0.833 425 P CB 0.512 32.201 31.700 -0.017 0.000 1.231 426 I N 2.468 122.789 120.570 -0.414 0.000 2.371 426 I HA 0.218 4.393 4.170 0.009 0.000 0.290 426 I C -2.149 173.448 176.117 -0.866 0.000 1.028 426 I CA -2.699 58.295 61.300 -0.511 0.000 1.345 426 I CB 0.577 38.386 38.000 -0.317 0.000 1.407 426 I HN -0.240 nan 8.210 nan 0.000 0.501 427 P HA -0.000 nan 4.420 nan 0.000 0.267 427 P C 0.320 177.378 177.300 -0.404 0.000 1.200 427 P CA 0.023 62.748 63.100 -0.626 0.000 0.772 427 P CB 0.342 31.899 31.700 -0.239 0.000 0.855 428 F N 0.819 120.662 119.950 -0.179 0.000 2.161 428 F HA -0.148 4.384 4.527 0.009 0.000 0.300 428 F C 1.881 177.639 175.800 -0.071 0.000 1.089 428 F CA 1.623 59.558 58.000 -0.108 0.000 1.282 428 F CB -0.686 38.264 39.000 -0.083 0.000 1.010 428 F HN 0.322 nan 8.300 nan 0.000 0.485 429 E N 0.182 120.462 120.200 0.133 0.000 2.419 429 E HA 0.005 4.360 4.350 0.009 0.000 0.190 429 E C -0.279 176.337 176.600 0.027 0.000 1.040 429 E CA -0.068 56.378 56.400 0.077 0.000 0.900 429 E CB -0.834 28.909 29.700 0.072 0.000 1.054 429 E HN 0.281 nan 8.360 nan 0.000 0.462 430 D N 2.555 122.950 120.400 -0.008 0.000 2.531 430 D HA 0.002 4.647 4.640 0.009 0.000 0.239 430 D C -2.259 174.055 176.300 0.023 0.000 1.144 430 D CA -1.056 52.929 54.000 -0.025 0.000 0.869 430 D CB 0.782 41.532 40.800 -0.082 0.000 1.160 430 D HN -0.095 nan 8.370 nan 0.000 0.484 431 P HA 0.111 nan 4.420 nan 0.000 0.271 431 P C -0.727 176.679 177.300 0.178 0.000 1.233 431 P CA -0.301 62.879 63.100 0.132 0.000 0.789 431 P CB 0.471 32.247 31.700 0.127 0.000 0.951 432 E N 2.144 122.473 120.200 0.214 0.000 2.398 432 E HA 0.122 4.478 4.350 0.009 0.000 0.263 432 E C -1.885 174.756 176.600 0.068 0.000 1.046 432 E CA -1.158 55.299 56.400 0.095 0.000 0.908 432 E CB -0.872 28.843 29.700 0.024 0.000 0.963 432 E HN 0.390 nan 8.360 nan 0.000 0.431 433 P HA -0.000 nan 4.420 nan 0.000 0.271 433 P C -0.803 176.538 177.300 0.068 0.000 1.218 433 P CA -0.083 63.112 63.100 0.158 0.000 0.780 433 P CB 0.631 32.380 31.700 0.082 0.000 0.901 434 Q N 1.086 121.035 119.800 0.248 0.000 3.394 434 Q HA 0.301 4.646 4.340 0.009 0.000 0.285 434 Q C -0.846 175.274 176.000 0.200 0.000 0.866 434 Q CA -0.367 55.453 55.803 0.028 0.000 0.844 434 Q CB 1.045 29.560 28.738 -0.372 0.000 1.472 434 Q HN 0.200 nan 8.270 nan 0.000 0.401 435 V N 0.538 120.520 119.914 0.113 0.000 2.630 435 V HA 0.753 4.879 4.120 0.009 0.000 0.305 435 V C 0.214 176.332 176.094 0.040 0.000 1.046 435 V CA -0.415 61.934 62.300 0.082 0.000 0.934 435 V CB 2.011 33.821 31.823 -0.021 0.000 1.003 435 V HN 0.433 nan 8.190 nan 0.000 0.451 436 T N 1.612 116.220 114.554 0.090 0.000 2.894 436 T HA 0.510 4.866 4.350 0.009 0.000 0.309 436 T C -0.973 173.732 174.700 0.008 0.000 1.208 436 T CA -0.321 61.792 62.100 0.022 0.000 1.016 436 T CB 1.933 70.795 68.868 -0.011 0.000 1.192 436 T HN 0.851 nan 8.240 nan 0.000 0.491 437 T N 4.308 118.763 114.554 -0.165 0.000 2.786 437 T HA 0.618 4.974 4.350 0.009 0.000 0.283 437 T C -0.225 174.379 174.700 -0.160 0.000 0.992 437 T CA -0.625 61.236 62.100 -0.398 0.000 0.954 437 T CB 0.021 68.266 68.868 -1.038 0.000 0.934 437 T HN 0.528 nan 8.240 nan 0.000 0.440 438 L N 4.456 125.643 121.223 -0.059 0.000 2.452 438 L HA 0.420 4.765 4.340 0.009 0.000 0.267 438 L C 0.747 177.625 176.870 0.014 0.000 1.188 438 L CA -0.965 53.910 54.840 0.058 0.000 0.821 438 L CB 0.271 42.351 42.059 0.035 0.000 1.102 438 L HN 0.648 nan 8.230 nan 0.000 0.470 439 F N 2.828 122.706 119.950 -0.121 0.000 2.623 439 F HA -0.085 4.447 4.527 0.008 0.000 0.381 439 F C 0.224 175.755 175.800 -0.449 0.000 1.081 439 F CA 0.599 58.420 58.000 -0.298 0.000 1.293 439 F CB 0.170 39.048 39.000 -0.202 0.000 1.006 439 F HN 0.391 nan 8.300 nan 0.000 0.578 440 Q N 6.342 125.622 119.800 -0.868 0.000 2.456 440 Q HA 0.251 4.597 4.340 0.009 0.000 0.284 440 Q C -2.081 173.437 176.000 -0.803 0.000 1.061 440 Q CA -1.735 53.654 55.803 -0.690 0.000 0.799 440 Q CB 1.412 29.657 28.738 -0.820 0.000 1.445 440 Q HN 0.243 nan 8.270 nan 0.000 0.411 441 P HA -0.194 nan 4.420 nan 0.000 0.216 441 P C 1.260 178.330 177.300 -0.383 0.000 1.150 441 P CA 2.007 64.919 63.100 -0.313 0.000 0.843 441 P CB 0.230 31.848 31.700 -0.136 0.000 0.787 442 S N -1.268 114.215 115.700 -0.363 0.000 2.522 442 S HA -0.113 4.362 4.470 0.009 0.000 0.227 442 S C 0.547 174.951 174.600 -0.326 0.000 0.986 442 S CA 0.183 58.238 58.200 -0.241 0.000 0.929 442 S CB -1.260 61.894 63.200 -0.077 0.000 0.769 442 S HN 0.428 nan 8.310 nan 0.000 0.529 443 H N -1.186 117.433 119.070 -0.750 0.000 2.651 443 H HA 0.487 5.049 4.556 0.009 0.000 0.252 443 H C -3.180 171.030 175.328 -1.862 0.000 1.365 443 H CA -1.817 53.412 56.048 -1.365 0.000 1.539 443 H CB 0.668 29.893 29.762 -0.896 0.000 1.621 443 H HN 0.076 nan 8.280 nan 0.000 0.526 444 P HA 0.083 nan 4.420 nan 0.000 0.218 444 P C -1.225 175.564 177.300 -0.852 0.000 1.793 444 P CA 0.134 62.155 63.100 -1.799 0.000 0.941 444 P CB -1.044 30.132 31.700 -0.873 0.000 1.919 445 W N -0.728 120.332 121.300 -0.400 0.000 3.083 445 W HA 0.568 5.235 4.660 0.012 0.000 0.333 445 W C -0.826 175.799 176.519 0.176 0.000 1.217 445 W CA -1.337 56.053 57.345 0.075 0.000 1.170 445 W CB 0.132 29.654 29.460 0.103 0.000 1.437 445 W HN -0.043 nan 8.180 nan 0.000 0.557 446 H N 0.963 120.295 119.070 0.436 0.000 2.481 446 H HA 0.676 5.238 4.556 0.009 0.000 0.339 446 H C -0.198 175.298 175.328 0.280 0.000 1.131 446 H CA 0.330 56.540 56.048 0.270 0.000 1.301 446 H CB 1.511 31.373 29.762 0.166 0.000 1.476 446 H HN 0.585 nan 8.280 nan 0.000 0.529 447 T N 2.221 116.437 114.554 -0.564 0.000 2.893 447 T HA 0.522 4.877 4.350 0.009 0.000 0.293 447 T C -0.826 173.568 174.700 -0.510 0.000 1.027 447 T CA -1.085 60.696 62.100 -0.532 0.000 0.988 447 T CB 1.651 70.097 68.868 -0.704 0.000 1.043 447 T HN 0.678 nan 8.240 nan 0.000 0.461 448 Q N 1.885 121.609 119.800 -0.126 0.000 2.271 448 Q HA 0.549 4.895 4.340 0.009 0.000 0.268 448 Q C -1.305 174.661 176.000 -0.056 0.000 1.021 448 Q CA -0.645 55.027 55.803 -0.218 0.000 0.802 448 Q CB 2.704 31.192 28.738 -0.417 0.000 1.282 448 Q HN 0.736 nan 8.270 nan 0.000 0.431 449 I N 3.424 123.918 120.570 -0.127 0.000 2.521 449 I HA 0.387 4.562 4.170 0.009 0.000 0.277 449 I C -0.512 175.548 176.117 -0.095 0.000 1.054 449 I CA -0.327 60.772 61.300 -0.334 0.000 1.117 449 I CB 0.578 38.219 38.000 -0.597 0.000 1.217 449 I HN 0.751 nan 8.210 nan 0.000 0.469 450 H N 3.849 122.789 119.070 -0.216 0.000 2.917 450 H HA 0.665 5.227 4.556 0.010 0.000 0.269 450 H C -1.329 173.985 175.328 -0.023 0.000 1.488 450 H CA -1.330 54.661 56.048 -0.096 0.000 1.173 450 H CB 1.467 31.192 29.762 -0.062 0.000 1.868 450 H HN 0.148 nan 8.280 nan 0.000 0.600 451 R N 1.304 121.664 120.500 -0.232 0.000 2.538 451 R HA 0.425 4.771 4.340 0.009 0.000 0.292 451 R C -1.612 174.511 176.300 -0.295 0.000 1.008 451 R CA -0.561 55.376 56.100 -0.271 0.000 0.896 451 R CB 1.765 31.998 30.300 -0.112 0.000 1.187 451 R HN 0.868 nan 8.270 nan 0.000 0.440 452 D N 0.376 120.579 120.400 -0.329 0.000 2.713 452 D HA 0.444 5.089 4.640 0.009 0.000 0.306 452 D C -1.463 174.614 176.300 -0.372 0.000 1.299 452 D CA -0.392 53.466 54.000 -0.236 0.000 0.823 452 D CB 2.147 42.885 40.800 -0.103 0.000 1.353 452 D HN 0.470 nan 8.370 nan 0.000 0.447 453 A N 0.872 123.511 122.820 -0.302 0.000 2.274 453 A HA 0.704 5.030 4.320 0.009 0.000 0.309 453 A C -0.894 176.497 177.584 -0.321 0.000 1.226 453 A CA -0.253 51.557 52.037 -0.378 0.000 0.853 453 A CB -0.375 18.593 19.000 -0.054 0.000 1.146 453 A HN 0.339 nan 8.150 nan 0.000 0.518 454 F N -0.053 119.735 119.950 -0.271 0.000 2.664 454 F HA 0.559 5.090 4.527 0.007 0.000 0.317 454 F C 1.301 176.823 175.800 -0.463 0.000 1.108 454 F CA -0.413 57.345 58.000 -0.403 0.000 0.957 454 F CB 1.145 39.739 39.000 -0.677 0.000 1.365 454 F HN 0.425 nan 8.300 nan 0.000 0.475 455 S N 0.127 115.712 115.700 -0.192 0.000 2.402 455 S HA -0.204 4.272 4.470 0.009 0.000 0.229 455 S C 1.232 175.791 174.600 -0.069 0.000 1.021 455 S CA 1.413 59.551 58.200 -0.104 0.000 0.974 455 S CB -1.092 62.127 63.200 0.033 0.000 0.800 455 S HN 0.766 nan 8.310 nan 0.000 0.484 456 Y N 1.286 121.602 120.300 0.027 0.000 2.461 456 Y HA 0.635 5.188 4.550 0.005 0.000 0.277 456 Y C 1.182 177.016 175.900 -0.110 0.000 1.182 456 Y CA -1.319 56.759 58.100 -0.036 0.000 1.276 456 Y CB -1.098 37.318 38.460 -0.074 0.000 1.087 456 Y HN 0.229 nan 8.280 nan 0.000 0.519 457 G N 1.124 109.682 108.800 -0.404 0.000 2.732 457 G HA2 0.394 4.359 3.960 0.009 0.000 0.244 457 G HA3 0.394 4.359 3.960 0.009 0.000 0.244 457 G C -0.641 174.156 174.900 -0.172 0.000 1.226 457 G CA -0.044 44.703 45.100 -0.588 0.000 0.860 457 G HN 0.649 nan 8.290 nan 0.000 0.583 458 A N -0.915 121.871 122.820 -0.057 0.000 2.365 458 A HA 0.703 5.028 4.320 0.009 0.000 0.318 458 A C -0.911 176.671 177.584 -0.003 0.000 1.091 458 A CA -0.525 51.544 52.037 0.053 0.000 0.763 458 A CB 2.161 21.282 19.000 0.200 0.000 1.248 458 A HN 1.100 nan 8.150 nan 0.000 0.442 459 V N 2.829 122.745 119.914 0.004 0.000 2.524 459 V HA 0.590 4.716 4.120 0.009 0.000 0.297 459 V C -0.683 175.417 176.094 0.011 0.000 1.035 459 V CA -0.413 61.883 62.300 -0.006 0.000 0.867 459 V CB 1.228 33.039 31.823 -0.020 0.000 1.004 459 V HN 1.177 nan 8.190 nan 0.000 0.426 460 Q N 3.866 123.675 119.800 0.015 0.000 2.511 460 Q HA 0.658 5.003 4.340 0.009 0.000 0.289 460 Q C -0.744 175.266 176.000 0.016 0.000 1.021 460 Q CA -0.789 55.025 55.803 0.018 0.000 0.785 460 Q CB 1.811 30.564 28.738 0.025 0.000 1.472 460 Q HN 0.247 nan 8.270 nan 0.000 0.411 461 Q N -0.129 119.680 119.800 0.016 0.000 2.164 461 Q HA 0.235 4.581 4.340 0.009 0.000 0.226 461 Q C 0.734 176.744 176.000 0.017 0.000 0.813 461 Q CA 0.491 56.303 55.803 0.014 0.000 0.978 461 Q CB 1.179 29.923 28.738 0.010 0.000 1.149 461 Q HN 0.724 nan 8.270 nan 0.000 0.489 462 S N 0.040 115.751 115.700 0.018 0.000 2.406 462 S HA 0.097 4.573 4.470 0.009 0.000 0.224 462 S C 0.913 175.526 174.600 0.023 0.000 1.030 462 S CA 0.271 58.483 58.200 0.019 0.000 0.958 462 S CB 0.347 63.558 63.200 0.018 0.000 0.811 462 S HN 0.121 nan 8.310 nan 0.000 0.489 463 I N 2.663 123.248 120.570 0.025 0.000 2.392 463 I HA 0.305 4.481 4.170 0.009 0.000 0.295 463 I C 0.157 176.294 176.117 0.033 0.000 0.985 463 I CA -0.906 60.411 61.300 0.029 0.000 1.221 463 I CB 1.146 39.165 38.000 0.031 0.000 1.366 463 I HN 0.212 nan 8.210 nan 0.000 0.467 464 D N 3.817 124.240 120.400 0.038 0.000 2.487 464 D HA -0.064 4.582 4.640 0.009 0.000 0.243 464 D C 1.215 177.540 176.300 0.042 0.000 1.154 464 D CA 0.201 54.229 54.000 0.046 0.000 0.876 464 D CB 1.168 42.002 40.800 0.057 0.000 1.161 464 D HN 0.658 nan 8.370 nan 0.000 0.478 465 S N 4.191 119.915 115.700 0.041 0.000 2.440 465 S HA -0.190 4.285 4.470 0.009 0.000 0.238 465 S C 1.637 176.256 174.600 0.032 0.000 1.010 465 S CA 0.637 58.858 58.200 0.034 0.000 0.972 465 S CB -0.039 63.179 63.200 0.029 0.000 0.774 465 S HN 0.547 nan 8.310 nan 0.000 0.501 466 R N 0.680 121.200 120.500 0.034 0.000 2.237 466 R HA 0.202 4.548 4.340 0.009 0.000 0.219 466 R C 1.724 178.031 176.300 0.012 0.000 1.080 466 R CA 1.031 57.139 56.100 0.013 0.000 0.995 466 R CB -0.485 29.808 30.300 -0.012 0.000 0.875 466 R HN 0.457 nan 8.270 nan 0.000 0.462 467 L N 0.233 121.471 121.223 0.026 0.000 2.509 467 L HA 0.147 4.493 4.340 0.009 0.000 0.222 467 L C 0.615 177.517 176.870 0.054 0.000 1.123 467 L CA 0.165 55.026 54.840 0.035 0.000 0.856 467 L CB 0.107 42.187 42.059 0.035 0.000 0.985 467 L HN 0.046 nan 8.230 nan 0.000 0.456 468 I N 0.084 120.685 120.570 0.053 0.000 2.385 468 I HA 0.276 4.451 4.170 0.009 0.000 0.294 468 I C -0.578 175.584 176.117 0.075 0.000 0.988 468 I CA -0.422 60.922 61.300 0.073 0.000 1.265 468 I CB 1.856 39.892 38.000 0.059 0.000 1.388 468 I HN -0.301 nan 8.210 nan 0.000 0.480 469 V N 4.828 124.817 119.914 0.125 0.000 2.709 469 V HA 0.340 4.466 4.120 0.009 0.000 0.308 469 V C -0.813 175.351 176.094 0.116 0.000 1.062 469 V CA -0.827 61.514 62.300 0.068 0.000 0.901 469 V CB 2.240 34.102 31.823 0.066 0.000 1.003 469 V HN 0.591 nan 8.190 nan 0.000 0.425 470 D N 2.283 122.701 120.400 0.031 0.000 2.225 470 D HA 0.471 5.116 4.640 0.009 0.000 0.249 470 D C -1.063 175.268 176.300 0.052 0.000 1.052 470 D CA 0.059 54.191 54.000 0.219 0.000 0.909 470 D CB 1.601 42.602 40.800 0.335 0.000 1.186 470 D HN 0.445 nan 8.370 nan 0.000 0.431 471 W N 1.264 122.700 121.300 0.226 0.000 2.619 471 W HA 0.418 5.082 4.660 0.007 0.000 0.327 471 W C 0.113 176.774 176.519 0.237 0.000 1.027 471 W CA -0.819 56.651 57.345 0.208 0.000 1.233 471 W CB 1.309 30.764 29.460 -0.009 0.000 1.370 471 W HN -0.071 nan 8.180 nan 0.000 0.453 472 R N 3.108 123.881 120.500 0.455 0.000 2.483 472 R HA 0.519 4.865 4.340 0.009 0.000 0.303 472 R C -1.528 174.910 176.300 0.230 0.000 0.987 472 R CA -0.887 55.315 56.100 0.168 0.000 0.881 472 R CB 1.655 31.912 30.300 -0.072 0.000 1.177 472 R HN 0.160 nan 8.270 nan 0.000 0.451 473 F N 2.998 122.766 119.950 -0.304 0.000 2.458 473 F HA 0.502 5.036 4.527 0.011 0.000 0.336 473 F C -0.309 175.316 175.800 -0.291 0.000 1.114 473 F CA -1.502 56.412 58.000 -0.144 0.000 0.987 473 F CB 1.062 39.973 39.000 -0.149 0.000 1.130 473 F HN 0.300 nan 8.300 nan 0.000 0.458 474 F N 1.242 121.360 119.950 0.279 0.000 2.467 474 F HA 0.672 5.206 4.527 0.012 0.000 0.336 474 F C 0.621 176.613 175.800 0.319 0.000 1.123 474 F CA -1.104 57.052 58.000 0.260 0.000 0.964 474 F CB 1.580 40.778 39.000 0.329 0.000 1.136 474 F HN 0.526 nan 8.300 nan 0.000 0.447 475 G N 1.959 110.996 108.800 0.396 0.000 2.462 475 G HA2 0.648 4.614 3.960 0.009 0.000 0.319 475 G HA3 0.648 4.614 3.960 0.009 0.000 0.319 475 G C -0.976 174.103 174.900 0.298 0.000 1.171 475 G CA -1.081 44.234 45.100 0.358 0.000 0.920 475 G HN 0.716 nan 8.290 nan 0.000 0.499 476 R N -0.649 120.025 120.500 0.290 0.000 2.428 476 R HA 0.652 4.998 4.340 0.009 0.000 0.294 476 R C -1.010 175.378 176.300 0.148 0.000 1.000 476 R CA -0.559 55.636 56.100 0.158 0.000 0.960 476 R CB 1.320 31.729 30.300 0.181 0.000 1.076 476 R HN 0.263 nan 8.270 nan 0.000 0.475 477 T N 2.525 117.137 114.554 0.095 0.000 2.792 477 T HA 0.161 4.517 4.350 0.009 0.000 0.280 477 T C -0.683 174.093 174.700 0.126 0.000 0.990 477 T CA -0.706 61.497 62.100 0.171 0.000 0.960 477 T CB 1.250 70.285 68.868 0.279 0.000 0.939 477 T HN 0.572 nan 8.240 nan 0.000 0.439 478 E N 4.377 124.654 120.200 0.130 0.000 2.415 478 E HA 0.124 4.479 4.350 0.009 0.000 0.263 478 E C -2.154 174.524 176.600 0.130 0.000 0.995 478 E CA -1.416 55.053 56.400 0.114 0.000 0.915 478 E CB 0.286 30.044 29.700 0.097 0.000 0.951 478 E HN 0.298 nan 8.360 nan 0.000 0.449 479 P HA 0.080 nan 4.420 nan 0.000 0.271 479 P C -0.942 176.507 177.300 0.249 0.000 1.226 479 P CA 0.065 63.301 63.100 0.226 0.000 0.765 479 P CB 0.653 32.502 31.700 0.248 0.000 0.835 480 K N 2.612 123.115 120.400 0.173 0.000 2.482 480 K HA 0.154 4.479 4.320 0.009 0.000 0.251 480 K C 0.886 177.335 176.600 -0.252 0.000 0.936 480 K CA -0.645 55.658 56.287 0.028 0.000 0.791 480 K CB 2.383 34.861 32.500 -0.038 0.000 1.213 480 K HN 0.454 nan 8.250 nan 0.000 0.428 481 E N 2.312 122.197 120.200 -0.524 0.000 2.130 481 E HA -0.239 4.116 4.350 0.009 0.000 0.196 481 E C 1.053 177.401 176.600 -0.420 0.000 0.998 481 E CA 1.725 57.558 56.400 -0.946 0.000 0.806 481 E CB 0.460 29.823 29.700 -0.561 0.000 0.738 481 E HN 0.560 nan 8.360 nan 0.000 0.459 482 E N 0.414 120.475 120.200 -0.233 0.000 2.338 482 E HA -0.132 4.224 4.350 0.009 0.000 0.197 482 E C 0.012 176.552 176.600 -0.100 0.000 1.007 482 E CA 0.398 56.714 56.400 -0.139 0.000 0.849 482 E CB -0.321 29.313 29.700 -0.110 0.000 0.774 482 E HN 0.096 nan 8.360 nan 0.000 0.506 483 N N 1.945 120.579 118.700 -0.110 0.000 2.411 483 N HA 0.182 4.928 4.740 0.009 0.000 0.259 483 N C -0.745 174.825 175.510 0.100 0.000 1.103 483 N CA 0.133 53.172 53.050 -0.017 0.000 0.954 483 N CB 1.109 39.563 38.487 -0.055 0.000 1.085 483 N HN 0.111 nan 8.380 nan 0.000 0.485 484 K N 1.195 121.706 120.400 0.185 0.000 2.469 484 K HA 0.467 4.793 4.320 0.009 0.000 0.254 484 K C -1.176 175.577 176.600 0.256 0.000 0.939 484 K CA -0.907 55.505 56.287 0.208 0.000 0.812 484 K CB 2.403 35.027 32.500 0.206 0.000 1.301 484 K HN 0.182 nan 8.250 nan 0.000 0.433 485 L N 3.985 125.307 121.223 0.165 0.000 2.319 485 L HA 0.569 4.915 4.340 0.009 0.000 0.281 485 L C -1.335 175.452 176.870 -0.138 0.000 1.005 485 L CA -0.091 54.685 54.840 -0.107 0.000 0.828 485 L CB 0.517 42.519 42.059 -0.096 0.000 1.227 485 L HN 0.695 nan 8.230 nan 0.000 0.415 486 W N 3.546 124.545 121.300 -0.501 0.000 3.017 486 W HA 0.667 5.333 4.660 0.010 0.000 0.341 486 W C -2.121 173.937 176.519 -0.769 0.000 1.180 486 W CA -1.187 55.926 57.345 -0.387 0.000 1.097 486 W CB 0.942 30.327 29.460 -0.125 0.000 1.468 486 W HN 0.330 nan 8.180 nan 0.000 0.584 487 F N 1.412 121.524 119.950 0.269 0.000 2.529 487 F HA 0.336 4.869 4.527 0.010 0.000 0.320 487 F C 0.796 176.738 175.800 0.236 0.000 1.118 487 F CA -0.941 57.103 58.000 0.074 0.000 0.915 487 F CB 2.111 41.141 39.000 0.050 0.000 1.161 487 F HN 0.267 nan 8.300 nan 0.000 0.445 488 S N 0.939 116.770 115.700 0.218 0.000 2.568 488 S HA 0.034 4.510 4.470 0.009 0.000 0.282 488 S C 0.730 175.471 174.600 0.236 0.000 1.338 488 S CA -0.422 57.943 58.200 0.275 0.000 1.045 488 S CB 0.362 63.631 63.200 0.116 0.000 0.873 488 S HN 0.692 nan 8.310 nan 0.000 0.516 489 D N 2.145 122.672 120.400 0.212 0.000 2.339 489 D HA 0.063 4.708 4.640 0.009 0.000 0.217 489 D C 0.959 177.318 176.300 0.099 0.000 1.050 489 D CA 0.287 54.368 54.000 0.135 0.000 0.856 489 D CB -0.004 40.859 40.800 0.105 0.000 0.922 489 D HN 0.722 nan 8.370 nan 0.000 0.518 490 K N -0.780 119.682 120.400 0.103 0.000 2.556 490 K HA 0.182 4.507 4.320 0.009 0.000 0.201 490 K C 0.297 176.937 176.600 0.066 0.000 1.423 490 K CA -0.372 55.959 56.287 0.074 0.000 1.010 490 K CB 0.436 32.978 32.500 0.069 0.000 1.409 490 K HN -0.113 nan 8.250 nan 0.000 0.538 491 I N 4.020 124.632 120.570 0.071 0.000 2.474 491 I HA 0.159 4.335 4.170 0.009 0.000 0.287 491 I C 0.326 176.475 176.117 0.054 0.000 1.048 491 I CA 0.003 61.334 61.300 0.051 0.000 1.383 491 I CB 0.967 38.986 38.000 0.032 0.000 1.412 491 I HN 0.359 nan 8.210 nan 0.000 0.531 492 T N 1.530 116.112 114.554 0.047 0.000 2.942 492 T HA 0.605 4.961 4.350 0.009 0.000 0.289 492 T C -0.312 174.419 174.700 0.053 0.000 1.044 492 T CA -0.919 61.214 62.100 0.056 0.000 1.023 492 T CB 2.299 71.196 68.868 0.048 0.000 1.123 492 T HN 0.532 nan 8.240 nan 0.000 0.512 493 D N 0.593 121.041 120.400 0.079 0.000 2.469 493 D HA 0.478 5.123 4.640 0.009 0.000 0.278 493 D C 1.442 177.773 176.300 0.052 0.000 1.231 493 D CA -0.535 53.517 54.000 0.087 0.000 1.075 493 D CB -0.069 40.823 40.800 0.153 0.000 1.121 493 D HN 0.652 nan 8.370 nan 0.000 0.571 494 A N -1.609 121.227 122.820 0.027 0.000 2.167 494 A HA -0.023 4.302 4.320 0.009 0.000 0.214 494 A C 0.905 178.298 177.584 -0.318 0.000 1.151 494 A CA 0.542 52.495 52.037 -0.140 0.000 0.735 494 A CB -0.869 18.012 19.000 -0.199 0.000 0.802 494 A HN 0.526 nan 8.150 nan 0.000 0.467 495 Y N -0.639 119.686 120.300 0.042 0.000 2.607 495 Y HA 0.205 4.760 4.550 0.008 0.000 0.266 495 Y C 0.475 176.401 175.900 0.043 0.000 1.178 495 Y CA -0.220 57.908 58.100 0.047 0.000 1.226 495 Y CB -0.516 37.963 38.460 0.031 0.000 1.144 495 Y HN 0.496 nan 8.280 nan 0.000 0.528 496 N N -0.465 118.296 118.700 0.101 0.000 2.747 496 N HA -0.174 4.571 4.740 0.009 0.000 0.249 496 N C -0.669 174.884 175.510 0.071 0.000 1.107 496 N CA 0.395 53.483 53.050 0.063 0.000 0.707 496 N CB -0.654 37.850 38.487 0.028 0.000 1.054 496 N HN 0.170 nan 8.380 nan 0.000 0.555 497 M N -0.305 119.357 119.600 0.103 0.000 2.644 497 M HA 0.453 4.938 4.480 0.009 0.000 0.316 497 M C -2.292 174.066 176.300 0.096 0.000 1.200 497 M CA -2.038 53.312 55.300 0.084 0.000 0.944 497 M CB 0.826 33.484 32.600 0.097 0.000 1.691 497 M HN -0.303 nan 8.290 nan 0.000 0.471 498 P HA 0.042 nan 4.420 nan 0.000 0.267 498 P C -0.680 176.760 177.300 0.234 0.000 1.205 498 P CA -0.012 63.172 63.100 0.140 0.000 0.765 498 P CB 0.269 32.053 31.700 0.141 0.000 0.828 499 Q N 6.675 126.564 119.800 0.148 0.000 2.297 499 Q HA 0.179 4.525 4.340 0.009 0.000 0.267 499 Q C -2.277 173.696 176.000 -0.046 0.000 1.006 499 Q CA -1.927 53.917 55.803 0.069 0.000 0.896 499 Q CB -0.211 28.518 28.738 -0.014 0.000 1.186 499 Q HN 0.283 nan 8.270 nan 0.000 0.392 500 P HA 0.117 nan 4.420 nan 0.000 0.271 500 P C -1.080 175.728 177.300 -0.819 0.000 1.216 500 P CA -0.109 62.595 63.100 -0.659 0.000 0.776 500 P CB 1.019 32.408 31.700 -0.519 0.000 0.881 501 T N 2.908 116.743 114.554 -1.197 0.000 2.916 501 T HA 0.505 4.860 4.350 0.009 0.000 0.298 501 T C -0.624 173.399 174.700 -1.128 0.000 1.031 501 T CA -0.132 61.285 62.100 -1.139 0.000 0.993 501 T CB 0.515 68.407 68.868 -1.627 0.000 1.045 501 T HN 0.035 nan 8.240 nan 0.000 0.454 502 F N 1.991 121.674 119.950 -0.445 0.000 2.397 502 F HA 0.541 5.073 4.527 0.009 0.000 0.331 502 F C 0.620 176.382 175.800 -0.064 0.000 1.090 502 F CA -0.977 56.888 58.000 -0.225 0.000 1.065 502 F CB 1.126 40.039 39.000 -0.145 0.000 1.184 502 F HN 0.405 nan 8.300 nan 0.000 0.499 503 D N 3.323 123.900 120.400 0.296 0.000 2.389 503 D HA 0.243 4.888 4.640 0.009 0.000 0.256 503 D C -1.811 174.620 176.300 0.217 0.000 1.239 503 D CA -0.117 54.036 54.000 0.255 0.000 0.925 503 D CB 0.393 41.371 40.800 0.296 0.000 1.145 503 D HN 0.300 nan 8.370 nan 0.000 0.542 504 F N 3.345 123.293 119.950 -0.004 0.000 2.574 504 F HA 0.562 5.094 4.527 0.008 0.000 0.313 504 F C -1.153 174.546 175.800 -0.169 0.000 1.130 504 F CA -0.600 57.330 58.000 -0.116 0.000 0.936 504 F CB 1.404 40.271 39.000 -0.222 0.000 1.219 504 F HN 0.052 nan 8.300 nan 0.000 0.445 505 R N 4.251 124.267 120.500 -0.806 0.000 2.771 505 R HA 0.381 4.726 4.340 0.009 0.000 0.274 505 R C -1.626 174.055 176.300 -1.032 0.000 0.987 505 R CA -0.962 54.764 56.100 -0.623 0.000 0.908 505 R CB 1.891 32.025 30.300 -0.276 0.000 1.213 505 R HN 0.558 nan 8.270 nan 0.000 0.468 506 F N 2.505 122.227 119.950 -0.379 0.000 2.538 506 F HA 0.201 4.732 4.527 0.007 0.000 0.371 506 F C -1.372 174.297 175.800 -0.218 0.000 1.087 506 F CA -1.321 56.529 58.000 -0.250 0.000 1.250 506 F CB -0.045 38.933 39.000 -0.036 0.000 1.110 506 F HN 0.133 nan 8.300 nan 0.000 0.570 507 P HA 0.131 nan 4.420 nan 0.000 0.268 507 P C -0.603 176.704 177.300 0.011 0.000 1.205 507 P CA -0.108 62.968 63.100 -0.041 0.000 0.771 507 P CB 0.591 32.285 31.700 -0.010 0.000 0.858 508 A N 2.826 125.640 122.820 -0.010 0.000 2.366 508 A HA 0.571 4.896 4.320 0.009 0.000 0.250 508 A C 1.143 178.736 177.584 0.016 0.000 1.099 508 A CA 0.726 52.763 52.037 0.000 0.000 0.794 508 A CB -0.979 18.014 19.000 -0.012 0.000 1.056 508 A HN 0.808 nan 8.150 nan 0.000 0.499 509 G N -0.169 108.642 108.800 0.019 0.000 2.496 509 G HA2 -0.277 3.688 3.960 0.009 0.000 0.243 509 G HA3 -0.277 3.688 3.960 0.009 0.000 0.243 509 G C 1.069 175.994 174.900 0.042 0.000 1.176 509 G CA 0.833 45.949 45.100 0.028 0.000 0.940 509 G HN 1.033 nan 8.290 nan 0.000 0.573 510 R N -0.138 120.394 120.500 0.054 0.000 2.091 510 R HA -0.070 4.275 4.340 0.009 0.000 0.238 510 R C 2.810 179.162 176.300 0.088 0.000 1.136 510 R CA 2.629 58.772 56.100 0.070 0.000 0.959 510 R CB -0.857 29.487 30.300 0.074 0.000 0.856 510 R HN 0.616 nan 8.270 nan 0.000 0.437 511 T N 0.024 114.632 114.554 0.091 0.000 2.720 511 T HA -0.100 4.256 4.350 0.009 0.000 0.268 511 T C 1.895 176.641 174.700 0.078 0.000 1.037 511 T CA 1.781 63.949 62.100 0.113 0.000 1.144 511 T CB -0.127 68.827 68.868 0.144 0.000 0.864 511 T HN 0.271 nan 8.240 nan 0.000 0.444 512 S N 0.589 116.318 115.700 0.048 0.000 2.371 512 S HA -0.009 4.466 4.470 0.009 0.000 0.224 512 S C 2.009 176.612 174.600 0.006 0.000 1.029 512 S CA 0.890 59.088 58.200 -0.002 0.000 0.978 512 S CB -0.167 63.026 63.200 -0.012 0.000 0.833 512 S HN 0.504 nan 8.310 nan 0.000 0.466 513 K N 1.449 121.871 120.400 0.036 0.000 2.032 513 K HA -0.156 4.169 4.320 0.009 0.000 0.209 513 K C 1.918 178.570 176.600 0.087 0.000 1.048 513 K CA 1.551 57.868 56.287 0.051 0.000 0.927 513 K CB -0.124 32.411 32.500 0.059 0.000 0.712 513 K HN 0.355 nan 8.250 nan 0.000 0.441 514 E N -0.166 120.112 120.200 0.130 0.000 2.110 514 E HA -0.182 4.174 4.350 0.009 0.000 0.193 514 E C 1.989 178.676 176.600 0.145 0.000 0.988 514 E CA 0.963 57.502 56.400 0.232 0.000 0.804 514 E CB -0.111 29.762 29.700 0.288 0.000 0.745 514 E HN 0.467 nan 8.360 nan 0.000 0.458 515 A N 1.378 124.249 122.820 0.084 0.000 1.902 515 A HA -0.234 4.091 4.320 0.009 0.000 0.217 515 A C 2.086 179.723 177.584 0.089 0.000 1.181 515 A CA 1.707 53.783 52.037 0.065 0.000 0.623 515 A CB -0.341 18.653 19.000 -0.010 0.000 0.818 515 A HN 0.107 nan 8.150 nan 0.000 0.443 516 E N 0.489 120.727 120.200 0.064 0.000 2.152 516 E HA -0.130 4.226 4.350 0.009 0.000 0.192 516 E C 1.265 177.838 176.600 -0.045 0.000 0.983 516 E CA 1.362 57.801 56.400 0.065 0.000 0.818 516 E CB -0.299 29.415 29.700 0.023 0.000 0.758 516 E HN 0.517 nan 8.360 nan 0.000 0.467 517 D N -0.222 120.146 120.400 -0.052 0.000 2.178 517 D HA -0.156 4.490 4.640 0.009 0.000 0.201 517 D C 1.892 177.912 176.300 -0.465 0.000 0.980 517 D CA 0.961 54.913 54.000 -0.081 0.000 0.842 517 D CB -0.277 40.619 40.800 0.160 0.000 0.948 517 D HN 0.307 nan 8.370 nan 0.000 0.472 518 M N -0.198 118.894 119.600 -0.845 0.000 2.086 518 M HA -0.203 4.282 4.480 0.009 0.000 0.261 518 M C 2.079 177.937 176.300 -0.736 0.000 1.067 518 M CA 1.227 55.680 55.300 -1.413 0.000 1.116 518 M CB -0.013 31.980 32.600 -1.011 0.000 1.348 518 M HN -0.043 nan 8.290 nan 0.000 0.407 519 M N 0.492 119.793 119.600 -0.498 0.000 2.073 519 M HA -0.192 4.294 4.480 0.009 0.000 0.258 519 M C 1.817 177.897 176.300 -0.367 0.000 1.070 519 M CA 2.569 57.582 55.300 -0.477 0.000 1.103 519 M CB -1.086 31.296 32.600 -0.364 0.000 1.321 519 M HN 0.291 nan 8.290 nan 0.000 0.405 520 T N -0.042 114.365 114.554 -0.246 0.000 2.720 520 T HA -0.178 4.178 4.350 0.009 0.000 0.268 520 T C 1.507 176.129 174.700 -0.130 0.000 1.037 520 T CA 1.824 63.836 62.100 -0.147 0.000 1.144 520 T CB -0.646 68.180 68.868 -0.069 0.000 0.864 520 T HN 0.550 nan 8.240 nan 0.000 0.444 521 D N 0.506 120.825 120.400 -0.136 0.000 2.149 521 D HA -0.073 4.572 4.640 0.009 0.000 0.198 521 D C 2.050 178.344 176.300 -0.011 0.000 0.990 521 D CA 0.869 54.908 54.000 0.064 0.000 0.839 521 D CB -0.230 40.718 40.800 0.246 0.000 0.948 521 D HN 0.293 nan 8.370 nan 0.000 0.460 522 M N -0.548 118.797 119.600 -0.426 0.000 2.159 522 M HA -0.165 4.321 4.480 0.009 0.000 0.263 522 M C 1.866 177.880 176.300 -0.478 0.000 1.063 522 M CA 1.273 56.060 55.300 -0.855 0.000 1.110 522 M CB -0.115 31.697 32.600 -1.313 0.000 1.374 522 M HN 0.195 nan 8.290 nan 0.000 0.411 523 C N -0.471 118.653 119.300 -0.294 0.000 2.440 523 C HA -0.081 4.384 4.460 0.009 0.000 0.278 523 C C 2.655 177.551 174.990 -0.158 0.000 1.295 523 C CA 0.675 59.619 59.018 -0.124 0.000 1.738 523 C CB -0.877 26.838 27.740 -0.042 0.000 1.987 523 C HN 0.477 nan 8.230 nan 0.000 0.492 524 V N 0.545 120.397 119.914 -0.102 0.000 2.323 524 V HA -0.243 3.882 4.120 0.009 0.000 0.244 524 V C 2.383 178.459 176.094 -0.029 0.000 1.041 524 V CA 2.135 64.407 62.300 -0.046 0.000 1.025 524 V CB -0.617 31.227 31.823 0.036 0.000 0.656 524 V HN 0.581 nan 8.190 nan 0.000 0.451 525 M N 0.663 120.293 119.600 0.050 0.000 2.156 525 M HA -0.146 4.339 4.480 0.009 0.000 0.264 525 M C 2.462 178.659 176.300 -0.172 0.000 1.067 525 M CA 2.204 57.617 55.300 0.188 0.000 1.131 525 M CB -0.162 32.721 32.600 0.471 0.000 1.368 525 M HN 0.541 nan 8.290 nan 0.000 0.416 526 S N 0.741 116.039 115.700 -0.670 0.000 2.382 526 S HA -0.076 4.400 4.470 0.009 0.000 0.228 526 S C 2.042 176.270 174.600 -0.620 0.000 1.027 526 S CA 1.037 58.436 58.200 -1.335 0.000 0.991 526 S CB -0.995 61.134 63.200 -1.786 0.000 0.823 526 S HN 0.585 nan 8.310 nan 0.000 0.469 527 A N 2.097 124.642 122.820 -0.459 0.000 2.084 527 A HA -0.099 4.226 4.320 0.009 0.000 0.221 527 A C 2.150 179.613 177.584 -0.200 0.000 1.161 527 A CA 1.579 53.405 52.037 -0.352 0.000 0.653 527 A CB -0.608 18.212 19.000 -0.301 0.000 0.802 527 A HN 0.674 nan 8.150 nan 0.000 0.457 528 K N -0.870 119.455 120.400 -0.124 0.000 2.366 528 K HA 0.079 4.404 4.320 0.009 0.000 0.198 528 K C 1.091 177.689 176.600 -0.004 0.000 1.044 528 K CA 0.604 56.864 56.287 -0.046 0.000 0.973 528 K CB 0.059 32.568 32.500 0.015 0.000 0.767 528 K HN 0.408 nan 8.250 nan 0.000 0.475 529 I N -0.632 119.950 120.570 0.020 0.000 3.039 529 I HA 0.161 4.337 4.170 0.009 0.000 0.270 529 I C 1.102 177.241 176.117 0.036 0.000 1.150 529 I CA 0.577 61.938 61.300 0.100 0.000 1.448 529 I CB 0.042 38.243 38.000 0.335 0.000 1.197 529 I HN 0.094 nan 8.210 nan 0.000 0.450 530 G N -0.642 108.128 108.800 -0.051 0.000 2.349 530 G HA2 0.455 4.420 3.960 0.009 0.000 0.294 530 G HA3 0.455 4.420 3.960 0.009 0.000 0.294 530 G C -0.552 174.213 174.900 -0.226 0.000 1.380 530 G CA -0.176 44.870 45.100 -0.091 0.000 0.811 530 G HN 0.289 nan 8.290 nan 0.000 0.519 531 G N -1.153 107.511 108.800 -0.226 0.000 2.634 531 G HA2 0.514 4.480 3.960 0.009 0.000 0.255 531 G HA3 0.514 4.480 3.960 0.009 0.000 0.255 531 G C -0.258 174.467 174.900 -0.292 0.000 1.205 531 G CA -0.442 44.436 45.100 -0.370 0.000 0.884 531 G HN 0.445 nan 8.290 nan 0.000 0.549 532 F N -0.859 119.007 119.950 -0.139 0.000 2.506 532 F HA 0.240 4.774 4.527 0.012 0.000 0.351 532 F C 0.681 176.428 175.800 -0.089 0.000 1.136 532 F CA -0.746 57.167 58.000 -0.145 0.000 1.298 532 F CB 0.765 39.665 39.000 -0.167 0.000 1.145 532 F HN 0.177 nan 8.300 nan 0.000 0.593 533 L N 5.755 127.058 121.223 0.133 0.000 2.319 533 L HA 0.438 4.783 4.340 0.009 0.000 0.280 533 L C -2.424 174.478 176.870 0.052 0.000 1.099 533 L CA -1.869 53.013 54.840 0.070 0.000 0.828 533 L CB 0.198 42.291 42.059 0.055 0.000 1.150 533 L HN 0.288 nan 8.230 nan 0.000 0.442 534 P HA 0.192 nan 4.420 nan 0.000 0.265 534 P C 0.611 177.920 177.300 0.015 0.000 1.187 534 P CA 1.051 64.166 63.100 0.025 0.000 0.766 534 P CB 0.672 32.385 31.700 0.022 0.000 0.820 535 G N 1.741 110.542 108.800 0.002 0.000 2.234 535 G HA2 -0.250 3.715 3.960 0.009 0.000 0.260 535 G HA3 -0.250 3.715 3.960 0.009 0.000 0.260 535 G C 0.438 175.345 174.900 0.011 0.000 0.987 535 G CA 0.333 45.439 45.100 0.009 0.000 0.625 535 G HN 0.531 nan 8.290 nan 0.000 0.532 536 S N 0.784 116.470 115.700 -0.024 0.000 2.474 536 S HA 0.537 5.013 4.470 0.009 0.000 0.224 536 S C 0.399 174.858 174.600 -0.234 0.000 1.209 536 S CA -0.561 57.589 58.200 -0.083 0.000 1.212 536 S CB 0.343 63.495 63.200 -0.079 0.000 1.137 536 S HN 0.467 nan 8.310 nan 0.000 0.446 537 L N 2.599 123.679 121.223 -0.238 0.000 2.453 537 L HA 0.378 4.723 4.340 0.009 0.000 0.261 537 L C -2.045 174.497 176.870 -0.546 0.000 1.179 537 L CA -2.260 52.315 54.840 -0.441 0.000 0.813 537 L CB 0.047 41.920 42.059 -0.310 0.000 1.110 537 L HN 0.081 nan 8.230 nan 0.000 0.466 538 P HA 0.021 nan 4.420 nan 0.000 0.267 538 P C -1.428 175.615 177.300 -0.430 0.000 1.205 538 P CA 0.053 62.744 63.100 -0.680 0.000 0.765 538 P CB 0.598 31.814 31.700 -0.807 0.000 0.828 539 Q N 1.634 121.216 119.800 -0.363 0.000 2.472 539 Q HA 0.461 4.806 4.340 0.009 0.000 0.281 539 Q C -1.529 174.281 176.000 -0.315 0.000 0.997 539 Q CA -0.869 54.793 55.803 -0.235 0.000 0.828 539 Q CB 0.639 29.312 28.738 -0.107 0.000 1.443 539 Q HN 0.099 nan 8.270 nan 0.000 0.390 540 F N 1.665 121.527 119.950 -0.147 0.000 2.412 540 F HA 0.312 4.842 4.527 0.006 0.000 0.348 540 F C 0.569 176.285 175.800 -0.140 0.000 1.102 540 F CA -0.390 57.517 58.000 -0.156 0.000 1.196 540 F CB 0.973 39.880 39.000 -0.155 0.000 1.144 540 F HN 0.395 nan 8.300 nan 0.000 0.541 541 M N 1.628 121.199 119.600 -0.049 0.000 2.255 541 M HA 0.166 4.652 4.480 0.009 0.000 0.336 541 M C 0.067 176.334 176.300 -0.055 0.000 1.135 541 M CA -0.826 54.387 55.300 -0.144 0.000 1.145 541 M CB 0.334 32.674 32.600 -0.434 0.000 1.473 541 M HN 0.460 nan 8.290 nan 0.000 0.462 542 E N 2.473 122.632 120.200 -0.068 0.000 2.502 542 E HA 0.044 4.399 4.350 0.009 0.000 0.261 542 E C -2.218 174.369 176.600 -0.022 0.000 0.974 542 E CA -0.583 55.800 56.400 -0.027 0.000 0.936 542 E CB -0.387 29.292 29.700 -0.035 0.000 0.926 542 E HN 0.257 nan 8.360 nan 0.000 0.459 543 P HA 0.004 nan 4.420 nan 0.000 0.261 543 P C 0.654 177.875 177.300 -0.133 0.000 1.183 543 P CA 1.170 64.286 63.100 0.026 0.000 0.761 543 P CB 0.613 32.323 31.700 0.017 0.000 0.785 544 G N 2.593 111.308 108.800 -0.141 0.000 2.199 544 G HA2 -0.321 3.645 3.960 0.009 0.000 0.254 544 G HA3 -0.321 3.645 3.960 0.009 0.000 0.254 544 G C 0.720 175.567 174.900 -0.088 0.000 0.982 544 G CA 0.186 45.174 45.100 -0.186 0.000 0.632 544 G HN 0.535 nan 8.290 nan 0.000 0.529 545 L N 0.882 122.060 121.223 -0.074 0.000 2.275 545 L HA 0.245 4.590 4.340 0.009 0.000 0.215 545 L C 2.741 179.622 176.870 0.018 0.000 1.119 545 L CA 2.287 57.110 54.840 -0.028 0.000 0.790 545 L CB -0.201 41.793 42.059 -0.108 0.000 0.919 545 L HN 0.401 nan 8.230 nan 0.000 0.443 546 V N -0.066 119.815 119.914 -0.055 0.000 2.594 546 V HA -0.167 3.958 4.120 0.009 0.000 0.253 546 V C 1.505 177.548 176.094 -0.085 0.000 1.069 546 V CA 1.234 63.494 62.300 -0.067 0.000 1.082 546 V CB -0.288 31.484 31.823 -0.084 0.000 0.680 546 V HN 0.495 nan 8.190 nan 0.000 0.469 547 L N 0.037 121.275 121.223 0.025 0.000 3.608 547 L HA -0.239 4.107 4.340 0.009 0.000 0.422 547 L C 0.332 177.406 176.870 0.340 0.000 1.260 547 L CA 0.869 55.796 54.840 0.145 0.000 0.889 547 L CB -2.582 39.584 42.059 0.179 0.000 1.821 547 L HN 0.562 nan 8.230 nan 0.000 0.884 548 H N -0.829 118.334 119.070 0.154 0.000 2.510 548 H HA 0.269 4.832 4.556 0.011 0.000 0.266 548 H C 0.541 175.992 175.328 0.205 0.000 1.146 548 H CA -1.062 55.114 56.048 0.213 0.000 0.993 548 H CB 0.802 30.721 29.762 0.263 0.000 1.727 548 H HN 0.202 nan 8.280 nan 0.000 0.590 549 L N 2.015 123.373 121.223 0.225 0.000 2.540 549 L HA 0.199 4.544 4.340 0.009 0.000 0.276 549 L C 0.598 177.591 176.870 0.205 0.000 1.212 549 L CA 0.807 55.728 54.840 0.135 0.000 0.893 549 L CB 0.349 42.453 42.059 0.074 0.000 1.138 549 L HN 0.276 nan 8.230 nan 0.000 0.491 550 G N 1.817 110.749 108.800 0.219 0.000 2.798 550 G HA2 0.539 4.504 3.960 0.009 0.000 0.286 550 G HA3 0.539 4.504 3.960 0.009 0.000 0.286 550 G C 0.318 175.313 174.900 0.158 0.000 1.389 550 G CA -0.302 44.944 45.100 0.244 0.000 0.894 550 G HN 1.346 nan 8.290 nan 0.000 0.488 551 G N -1.352 107.509 108.800 0.103 0.000 2.162 551 G HA2 -0.251 3.715 3.960 0.009 0.000 0.260 551 G HA3 -0.251 3.715 3.960 0.009 0.000 0.260 551 G C 1.400 176.355 174.900 0.093 0.000 0.976 551 G CA 1.674 46.839 45.100 0.108 0.000 0.655 551 G HN 1.889 nan 8.290 nan 0.000 0.533 552 T N -1.978 112.582 114.554 0.010 0.000 2.915 552 T HA 0.078 4.434 4.350 0.009 0.000 0.269 552 T C 1.090 175.861 174.700 0.118 0.000 1.071 552 T CA 1.918 64.060 62.100 0.070 0.000 1.132 552 T CB -0.302 68.614 68.868 0.080 0.000 0.878 552 T HN 1.491 nan 8.240 nan 0.000 0.479 553 H N -0.087 119.052 119.070 0.115 0.000 2.695 553 H HA 0.480 5.041 4.556 0.009 0.000 0.222 553 H C -0.122 175.247 175.328 0.068 0.000 1.412 553 H CA -1.337 54.756 56.048 0.075 0.000 1.347 553 H CB -0.290 29.480 29.762 0.014 0.000 1.858 553 H HN 0.382 nan 8.280 nan 0.000 0.519 554 R N 0.793 121.378 120.500 0.142 0.000 2.641 554 R HA 0.318 4.663 4.340 0.009 0.000 0.269 554 R C -0.403 175.960 176.300 0.106 0.000 1.074 554 R CA -0.739 55.417 56.100 0.094 0.000 1.133 554 R CB 0.988 31.334 30.300 0.076 0.000 1.029 554 R HN 0.465 nan 8.270 nan 0.000 0.488 555 M N 1.425 121.063 119.600 0.064 0.000 2.249 555 M HA 0.423 4.909 4.480 0.009 0.000 0.351 555 M C -0.471 175.833 176.300 0.005 0.000 1.180 555 M CA 0.275 55.592 55.300 0.028 0.000 1.127 555 M CB 1.510 34.099 32.600 -0.018 0.000 1.546 555 M HN 0.962 nan 8.290 nan 0.000 0.461 556 G N 2.213 111.031 108.800 0.030 0.000 2.550 556 G HA2 0.395 4.360 3.960 0.009 0.000 0.293 556 G HA3 0.395 4.360 3.960 0.009 0.000 0.293 556 G C -0.864 174.056 174.900 0.034 0.000 1.402 556 G CA -0.686 44.384 45.100 -0.051 0.000 0.784 556 G HN 0.661 nan 8.290 nan 0.000 0.482 557 F N -0.036 120.013 119.950 0.166 0.000 2.206 557 F HA 0.243 4.776 4.527 0.009 0.000 0.298 557 F C 1.126 177.050 175.800 0.206 0.000 1.090 557 F CA 1.231 59.331 58.000 0.168 0.000 1.323 557 F CB 0.378 39.435 39.000 0.095 0.000 1.028 557 F HN 0.398 nan 8.300 nan 0.000 0.492 558 D N -1.082 119.473 120.400 0.258 0.000 2.863 558 D HA 0.123 4.769 4.640 0.009 0.000 0.245 558 D C 0.689 176.813 176.300 -0.293 0.000 1.211 558 D CA -0.262 53.731 54.000 -0.010 0.000 0.888 558 D CB 1.248 42.064 40.800 0.026 0.000 1.483 558 D HN 0.072 nan 8.370 nan 0.000 0.533 559 E N 3.168 122.865 120.200 -0.837 0.000 2.049 559 E HA -0.299 4.057 4.350 0.009 0.000 0.198 559 E C 1.319 177.731 176.600 -0.314 0.000 1.007 559 E CA 1.364 57.228 56.400 -0.893 0.000 0.809 559 E CB 0.263 29.314 29.700 -1.081 0.000 0.749 559 E HN 0.454 nan 8.360 nan 0.000 0.450 560 K N 0.086 120.353 120.400 -0.222 0.000 2.021 560 K HA -0.123 4.202 4.320 0.009 0.000 0.205 560 K C 2.065 178.628 176.600 -0.063 0.000 1.047 560 K CA 1.463 57.689 56.287 -0.101 0.000 0.943 560 K CB 0.056 32.512 32.500 -0.073 0.000 0.725 560 K HN 0.097 nan 8.250 nan 0.000 0.439 561 E N 0.225 120.392 120.200 -0.054 0.000 2.150 561 E HA -0.134 4.222 4.350 0.009 0.000 0.193 561 E C 0.839 177.433 176.600 -0.010 0.000 0.985 561 E CA 0.984 57.375 56.400 -0.014 0.000 0.814 561 E CB 0.146 29.851 29.700 0.008 0.000 0.752 561 E HN 0.358 nan 8.360 nan 0.000 0.466 562 D N 0.125 120.512 120.400 -0.021 0.000 2.349 562 D HA 0.046 4.692 4.640 0.009 0.000 0.214 562 D C -0.570 175.663 176.300 -0.111 0.000 1.063 562 D CA 0.030 54.015 54.000 -0.025 0.000 0.847 562 D CB 0.068 40.893 40.800 0.042 0.000 0.933 562 D HN 0.091 nan 8.370 nan 0.000 0.513 563 N N 0.391 119.020 118.700 -0.118 0.000 2.696 563 N HA -0.182 4.563 4.740 0.009 0.000 0.256 563 N C -0.338 175.080 175.510 -0.153 0.000 1.031 563 N CA 0.531 53.480 53.050 -0.167 0.000 0.730 563 N CB -1.531 36.728 38.487 -0.379 0.000 0.894 563 N HN 0.392 nan 8.380 nan 0.000 0.544 564 C N -3.670 115.616 119.300 -0.024 0.000 3.285 564 C HA 0.783 5.248 4.460 0.009 0.000 0.320 564 C C 1.348 176.495 174.990 0.261 0.000 1.411 564 C CA -0.674 58.404 59.018 0.100 0.000 1.429 564 C CB 1.601 29.426 27.740 0.142 0.000 1.812 564 C HN 0.461 nan 8.230 nan 0.000 0.454 565 C N 0.252 119.752 119.300 0.334 0.000 2.937 565 C HA 0.480 4.946 4.460 0.009 0.000 0.426 565 C C 0.656 175.786 174.990 0.234 0.000 1.321 565 C CA 0.595 59.814 59.018 0.334 0.000 2.082 565 C CB -0.273 27.581 27.740 0.190 0.000 2.834 565 C HN 0.953 nan 8.230 nan 0.000 0.593 566 V N 1.445 121.393 119.914 0.056 0.000 2.914 566 V HA 0.697 4.822 4.120 0.009 0.000 0.314 566 V C -0.678 175.128 176.094 -0.481 0.000 1.084 566 V CA -0.632 61.461 62.300 -0.345 0.000 0.963 566 V CB 1.500 33.221 31.823 -0.170 0.000 1.025 566 V HN 0.416 nan 8.190 nan 0.000 0.432 567 N N 1.260 119.485 118.700 -0.791 0.000 2.431 567 N HA 0.244 4.989 4.740 0.009 0.000 0.289 567 N C 1.069 176.443 175.510 -0.227 0.000 1.277 567 N CA 0.257 53.049 53.050 -0.430 0.000 0.972 567 N CB -0.047 38.175 38.487 -0.441 0.000 1.143 567 N HN 0.922 nan 8.380 nan 0.000 0.578 568 T N -4.717 109.745 114.554 -0.154 0.000 3.113 568 T HA 0.021 4.376 4.350 0.009 0.000 0.263 568 T C 0.075 174.696 174.700 -0.131 0.000 1.143 568 T CA 0.611 62.622 62.100 -0.149 0.000 1.090 568 T CB -0.375 68.422 68.868 -0.119 0.000 0.922 568 T HN 0.426 nan 8.240 nan 0.000 0.521 569 D N 1.013 121.327 120.400 -0.144 0.000 2.340 569 D HA 0.203 4.848 4.640 0.009 0.000 0.217 569 D C 0.556 176.854 176.300 -0.004 0.000 1.081 569 D CA 0.085 54.017 54.000 -0.114 0.000 0.842 569 D CB 0.120 40.731 40.800 -0.316 0.000 0.934 569 D HN 0.329 nan 8.370 nan 0.000 0.511 570 S N 0.176 115.847 115.700 -0.048 0.000 3.476 570 S HA -0.257 4.218 4.470 0.009 0.000 0.309 570 S C 0.545 175.158 174.600 0.021 0.000 1.222 570 S CA 0.458 58.671 58.200 0.022 0.000 0.922 570 S CB -1.347 61.931 63.200 0.129 0.000 1.023 570 S HN 0.469 nan 8.310 nan 0.000 0.591 571 R N 1.131 121.529 120.500 -0.170 0.000 2.297 571 R HA 0.497 4.842 4.340 0.009 0.000 0.308 571 R C -0.095 175.921 176.300 -0.474 0.000 1.029 571 R CA -0.459 55.376 56.100 -0.442 0.000 0.929 571 R CB 0.744 30.746 30.300 -0.496 0.000 1.046 571 R HN 0.130 nan 8.270 nan 0.000 0.461 572 V N 6.045 125.708 119.914 -0.419 0.000 2.529 572 V HA 0.024 4.149 4.120 0.009 0.000 0.292 572 V C 0.177 176.210 176.094 -0.101 0.000 1.028 572 V CA 0.133 62.272 62.300 -0.268 0.000 1.074 572 V CB -0.052 31.602 31.823 -0.282 0.000 0.958 572 V HN 0.576 nan 8.190 nan 0.000 0.481 573 F N 3.998 123.993 119.950 0.075 0.000 2.623 573 F HA 0.366 4.899 4.527 0.009 0.000 0.383 573 F C 1.592 177.512 175.800 0.199 0.000 1.077 573 F CA 1.608 59.670 58.000 0.103 0.000 1.268 573 F CB -0.137 38.918 39.000 0.090 0.000 1.053 573 F HN 0.805 nan 8.300 nan 0.000 0.571 574 G N 2.426 111.379 108.800 0.254 0.000 2.284 574 G HA2 -0.314 3.651 3.960 0.009 0.000 0.247 574 G HA3 -0.314 3.651 3.960 0.009 0.000 0.247 574 G C 0.038 174.849 174.900 -0.150 0.000 1.012 574 G CA -0.393 44.741 45.100 0.057 0.000 0.618 574 G HN 0.440 nan 8.290 nan 0.000 0.521 575 F N 1.679 121.639 119.950 0.017 0.000 2.405 575 F HA 0.556 5.089 4.527 0.010 0.000 0.355 575 F C 1.545 177.317 175.800 -0.046 0.000 1.121 575 F CA -0.423 57.571 58.000 -0.011 0.000 1.112 575 F CB 1.559 40.543 39.000 -0.027 0.000 1.126 575 F HN -0.069 nan 8.300 nan 0.000 0.481 576 K N 1.466 121.948 120.400 0.138 0.000 2.211 576 K HA -0.109 4.216 4.320 0.009 0.000 0.203 576 K C 0.824 177.616 176.600 0.320 0.000 1.050 576 K CA 1.270 57.685 56.287 0.214 0.000 0.945 576 K CB -0.014 32.624 32.500 0.230 0.000 0.732 576 K HN 0.568 nan 8.250 nan 0.000 0.451 577 N N 0.106 118.936 118.700 0.217 0.000 2.387 577 N HA 0.047 4.792 4.740 0.009 0.000 0.259 577 N C -0.962 174.578 175.510 0.049 0.000 1.369 577 N CA -0.309 52.878 53.050 0.229 0.000 0.867 577 N CB 0.222 38.915 38.487 0.343 0.000 1.341 577 N HN -0.035 nan 8.380 nan 0.000 0.495 578 L N 0.663 121.685 121.223 -0.335 0.000 2.376 578 L HA 0.697 5.042 4.340 0.009 0.000 0.275 578 L C -1.871 174.548 176.870 -0.752 0.000 0.987 578 L CA -0.564 54.074 54.840 -0.335 0.000 0.828 578 L CB 0.998 42.884 42.059 -0.289 0.000 1.249 578 L HN -0.027 nan 8.230 nan 0.000 0.409 579 F N 4.888 124.757 119.950 -0.136 0.000 2.563 579 F HA 0.671 5.203 4.527 0.009 0.000 0.316 579 F C -0.583 175.070 175.800 -0.246 0.000 1.076 579 F CA -0.714 57.190 58.000 -0.161 0.000 0.921 579 F CB 1.840 40.778 39.000 -0.104 0.000 1.209 579 F HN 0.180 nan 8.300 nan 0.000 0.462 580 L N 1.832 123.017 121.223 -0.064 0.000 2.346 580 L HA 0.896 5.241 4.340 0.009 0.000 0.274 580 L C 0.031 176.914 176.870 0.023 0.000 1.007 580 L CA -0.826 53.908 54.840 -0.177 0.000 0.818 580 L CB 1.961 43.763 42.059 -0.428 0.000 1.284 580 L HN 0.796 nan 8.230 nan 0.000 0.424 581 G N 0.341 109.171 108.800 0.049 0.000 2.542 581 G HA2 0.782 4.747 3.960 0.009 0.000 0.311 581 G HA3 0.782 4.747 3.960 0.009 0.000 0.311 581 G C -0.555 174.465 174.900 0.199 0.000 1.298 581 G CA -0.253 44.976 45.100 0.214 0.000 0.973 581 G HN 0.963 nan 8.290 nan 0.000 0.487 582 G N -1.054 107.856 108.800 0.183 0.000 2.347 582 G HA2 0.090 4.056 3.960 0.009 0.000 0.341 582 G HA3 0.090 4.056 3.960 0.009 0.000 0.341 582 G C 0.684 175.633 174.900 0.081 0.000 1.287 582 G CA 0.095 45.277 45.100 0.137 0.000 0.984 582 G HN 1.117 nan 8.290 nan 0.000 0.526 583 C N 0.598 119.923 119.300 0.040 0.000 2.437 583 C HA 0.242 4.707 4.460 0.009 0.000 0.283 583 C C 2.937 177.898 174.990 -0.048 0.000 1.424 583 C CA 1.684 60.701 59.018 -0.001 0.000 1.782 583 C CB -1.219 26.551 27.740 0.051 0.000 1.833 583 C HN 1.201 nan 8.230 nan 0.000 0.532 584 G N 1.107 109.796 108.800 -0.185 0.000 2.498 584 G HA2 -0.182 3.784 3.960 0.009 0.000 0.219 584 G HA3 -0.182 3.784 3.960 0.009 0.000 0.219 584 G C 1.407 175.962 174.900 -0.574 0.000 1.119 584 G CA 0.544 45.295 45.100 -0.582 0.000 0.766 584 G HN 0.539 nan 8.290 nan 0.000 0.552 585 N N 0.423 118.995 118.700 -0.212 0.000 2.309 585 N HA 0.006 4.751 4.740 0.009 0.000 0.182 585 N C 0.899 176.420 175.510 0.017 0.000 1.018 585 N CA 0.212 53.275 53.050 0.021 0.000 0.876 585 N CB 0.045 38.592 38.487 0.100 0.000 0.972 585 N HN 0.305 nan 8.380 nan 0.000 0.434 586 I N 3.118 123.692 120.570 0.007 0.000 2.505 586 I HA 0.032 4.207 4.170 0.009 0.000 0.287 586 I C -1.343 174.853 176.117 0.132 0.000 1.104 586 I CA -0.965 60.362 61.300 0.046 0.000 1.387 586 I CB 1.250 39.214 38.000 -0.060 0.000 1.404 586 I HN -0.062 nan 8.210 nan 0.000 0.528 587 P HA 0.060 nan 4.420 nan 0.000 0.267 587 P C 0.290 177.675 177.300 0.142 0.000 1.289 587 P CA 0.186 63.352 63.100 0.111 0.000 0.866 587 P CB 0.224 31.953 31.700 0.047 0.000 1.309 588 T N -2.167 112.505 114.554 0.196 0.000 2.897 588 T HA 0.668 5.024 4.350 0.009 0.000 0.278 588 T C 0.220 175.051 174.700 0.218 0.000 0.981 588 T CA -0.833 61.372 62.100 0.176 0.000 0.973 588 T CB 1.166 70.114 68.868 0.134 0.000 1.092 588 T HN 0.058 nan 8.240 nan 0.000 0.543 589 A N 1.862 124.745 122.820 0.105 0.000 2.302 589 A HA 0.603 4.929 4.320 0.009 0.000 0.295 589 A C -0.659 176.891 177.584 -0.057 0.000 1.235 589 A CA -0.839 51.213 52.037 0.025 0.000 0.876 589 A CB -0.886 18.145 19.000 0.052 0.000 1.133 589 A HN 0.907 nan 8.150 nan 0.000 0.533 590 Y N -0.301 119.919 120.300 -0.134 0.000 2.477 590 Y HA 0.698 5.253 4.550 0.009 0.000 0.347 590 Y C 0.660 176.426 175.900 -0.223 0.000 0.981 590 Y CA -0.669 57.165 58.100 -0.442 0.000 1.033 590 Y CB 1.392 39.414 38.460 -0.730 0.000 1.245 590 Y HN 0.397 nan 8.280 nan 0.000 0.455 591 G N 0.827 109.519 108.800 -0.180 0.000 2.709 591 G HA2 0.397 4.363 3.960 0.009 0.000 0.208 591 G HA3 0.397 4.363 3.960 0.009 0.000 0.208 591 G C 0.470 175.431 174.900 0.101 0.000 1.129 591 G CA 0.173 45.353 45.100 0.132 0.000 0.793 591 G HN 0.960 nan 8.290 nan 0.000 0.524 592 A N 0.759 123.463 122.820 -0.194 0.000 2.386 592 A HA 0.463 4.788 4.320 0.009 0.000 0.246 592 A C -0.020 177.469 177.584 -0.159 0.000 1.089 592 A CA -0.430 51.385 52.037 -0.371 0.000 0.790 592 A CB 0.041 18.807 19.000 -0.391 0.000 1.042 592 A HN 0.362 nan 8.150 nan 0.000 0.497 593 N N 1.599 120.085 118.700 -0.356 0.000 2.483 593 N HA 0.268 5.013 4.740 0.009 0.000 0.264 593 N C -2.036 173.394 175.510 -0.134 0.000 1.197 593 N CA -0.930 51.905 53.050 -0.359 0.000 0.927 593 N CB 0.514 38.844 38.487 -0.263 0.000 1.065 593 N HN 0.405 nan 8.380 nan 0.000 0.461 594 P HA 0.018 nan 4.420 nan 0.000 0.245 594 P C 0.484 177.682 177.300 -0.170 0.000 1.203 594 P CA 0.588 63.592 63.100 -0.161 0.000 0.792 594 P CB 0.350 31.936 31.700 -0.190 0.000 0.997 595 T N 1.139 115.664 114.554 -0.048 0.000 2.746 595 T HA -0.138 4.218 4.350 0.009 0.000 0.267 595 T C 1.784 176.556 174.700 0.121 0.000 1.039 595 T CA 1.000 63.128 62.100 0.046 0.000 1.142 595 T CB -0.853 68.074 68.868 0.098 0.000 0.866 595 T HN 0.007 nan 8.240 nan 0.000 0.444 596 L N 1.034 122.349 121.223 0.154 0.000 2.079 596 L HA -0.116 4.229 4.340 0.009 0.000 0.210 596 L C 2.492 179.446 176.870 0.139 0.000 1.081 596 L CA 1.737 56.721 54.840 0.241 0.000 0.752 596 L CB -0.972 41.209 42.059 0.204 0.000 0.896 596 L HN 0.205 nan 8.230 nan 0.000 0.433 597 T N -0.589 113.919 114.554 -0.077 0.000 2.737 597 T HA -0.097 4.259 4.350 0.009 0.000 0.265 597 T C 1.899 176.516 174.700 -0.139 0.000 1.038 597 T CA 1.176 63.139 62.100 -0.228 0.000 1.144 597 T CB -0.465 67.843 68.868 -0.933 0.000 0.866 597 T HN 0.503 nan 8.240 nan 0.000 0.434 598 A N 1.524 124.261 122.820 -0.138 0.000 1.933 598 A HA -0.062 4.264 4.320 0.009 0.000 0.218 598 A C 2.301 179.853 177.584 -0.052 0.000 1.175 598 A CA 1.759 53.756 52.037 -0.067 0.000 0.628 598 A CB -0.719 18.259 19.000 -0.037 0.000 0.814 598 A HN 0.532 nan 8.150 nan 0.000 0.444 599 M N -0.313 119.267 119.600 -0.033 0.000 2.132 599 M HA -0.130 4.355 4.480 0.009 0.000 0.263 599 M C 2.106 178.319 176.300 -0.146 0.000 1.065 599 M CA 2.043 57.296 55.300 -0.078 0.000 1.122 599 M CB -0.160 32.404 32.600 -0.060 0.000 1.365 599 M HN 0.374 nan 8.290 nan 0.000 0.411 600 S N 1.331 116.947 115.700 -0.140 0.000 2.359 600 S HA -0.154 4.321 4.470 0.009 0.000 0.224 600 S C 1.774 176.171 174.600 -0.338 0.000 1.035 600 S CA 1.543 59.587 58.200 -0.260 0.000 1.018 600 S CB -0.640 62.360 63.200 -0.333 0.000 0.876 600 S HN 0.528 nan 8.310 nan 0.000 0.448 601 L N 1.079 122.140 121.223 -0.270 0.000 2.079 601 L HA -0.185 4.160 4.340 0.009 0.000 0.210 601 L C 2.782 179.512 176.870 -0.235 0.000 1.081 601 L CA 1.273 55.962 54.840 -0.253 0.000 0.752 601 L CB -0.723 41.261 42.059 -0.126 0.000 0.896 601 L HN 0.348 nan 8.230 nan 0.000 0.433 602 A N 0.138 122.813 122.820 -0.242 0.000 1.930 602 A HA -0.138 4.188 4.320 0.009 0.000 0.217 602 A C 2.199 179.451 177.584 -0.554 0.000 1.175 602 A CA 1.258 53.034 52.037 -0.434 0.000 0.627 602 A CB -0.550 18.191 19.000 -0.433 0.000 0.815 602 A HN 0.345 nan 8.150 nan 0.000 0.443 603 I N -0.481 119.861 120.570 -0.379 0.000 2.179 603 I HA -0.276 3.899 4.170 0.009 0.000 0.242 603 I C 2.532 178.478 176.117 -0.285 0.000 1.088 603 I CA 1.850 62.961 61.300 -0.316 0.000 1.357 603 I CB -0.235 37.601 38.000 -0.273 0.000 1.051 603 I HN 0.343 nan 8.210 nan 0.000 0.409 604 K N 0.422 120.651 120.400 -0.285 0.000 2.103 604 K HA -0.223 4.103 4.320 0.009 0.000 0.207 604 K C 2.359 178.867 176.600 -0.154 0.000 1.048 604 K CA 1.755 57.906 56.287 -0.226 0.000 0.930 604 K CB -0.094 32.239 32.500 -0.278 0.000 0.716 604 K HN 0.154 nan 8.250 nan 0.000 0.444 605 S N -0.005 115.583 115.700 -0.186 0.000 2.368 605 S HA -0.155 4.320 4.470 0.009 0.000 0.225 605 S C 2.076 176.569 174.600 -0.178 0.000 1.030 605 S CA 1.396 59.527 58.200 -0.114 0.000 0.999 605 S CB -0.440 62.733 63.200 -0.044 0.000 0.844 605 S HN 0.555 nan 8.310 nan 0.000 0.459 606 C N 1.668 120.777 119.300 -0.318 0.000 2.413 606 C HA -0.057 4.409 4.460 0.009 0.000 0.277 606 C C 2.526 177.429 174.990 -0.146 0.000 1.265 606 C CA 0.961 59.815 59.018 -0.274 0.000 1.752 606 C CB -1.522 26.026 27.740 -0.321 0.000 1.998 606 C HN 0.686 nan 8.230 nan 0.000 0.489 607 E N -0.680 119.458 120.200 -0.104 0.000 2.051 607 E HA -0.255 4.101 4.350 0.009 0.000 0.192 607 E C 1.888 178.486 176.600 -0.004 0.000 0.991 607 E CA 1.506 57.876 56.400 -0.050 0.000 0.799 607 E CB -0.379 29.286 29.700 -0.058 0.000 0.748 607 E HN 0.821 nan 8.360 nan 0.000 0.449 608 Y N 1.450 121.710 120.300 -0.066 0.000 2.165 608 Y HA -0.250 4.305 4.550 0.009 0.000 0.286 608 Y C 2.008 177.937 175.900 0.048 0.000 1.155 608 Y CA 1.565 59.669 58.100 0.006 0.000 1.164 608 Y CB -0.125 38.367 38.460 0.054 0.000 0.978 608 Y HN -0.048 nan 8.280 nan 0.000 0.513 609 I N 0.183 120.755 120.570 0.004 0.000 2.226 609 I HA -0.330 3.846 4.170 0.009 0.000 0.245 609 I C 2.301 178.464 176.117 0.077 0.000 1.100 609 I CA 1.673 62.978 61.300 0.008 0.000 1.374 609 I CB -0.402 37.405 38.000 -0.322 0.000 1.057 609 I HN 0.151 nan 8.210 nan 0.000 0.413 610 K N 0.359 120.768 120.400 0.015 0.000 2.209 610 K HA -0.200 4.126 4.320 0.009 0.000 0.204 610 K C 2.042 178.679 176.600 0.061 0.000 1.048 610 K CA 1.193 57.557 56.287 0.128 0.000 0.940 610 K CB -0.112 32.439 32.500 0.086 0.000 0.729 610 K HN 0.415 nan 8.250 nan 0.000 0.451 611 Q N -0.159 119.605 119.800 -0.060 0.000 2.378 611 Q HA 0.018 4.363 4.340 0.009 0.000 0.205 611 Q C 1.047 176.929 176.000 -0.196 0.000 0.954 611 Q CA 0.686 56.413 55.803 -0.127 0.000 0.901 611 Q CB 0.347 28.974 28.738 -0.185 0.000 0.981 611 Q HN 0.265 nan 8.270 nan 0.000 0.483 612 N N -1.358 117.204 118.700 -0.229 0.000 2.168 612 N HA 0.142 4.887 4.740 0.009 0.000 0.216 612 N C -0.938 174.203 175.510 -0.616 0.000 1.259 612 N CA 0.244 53.027 53.050 -0.445 0.000 0.902 612 N CB 1.085 39.150 38.487 -0.703 0.000 1.079 612 N HN 0.001 nan 8.380 nan 0.000 0.507 613 F N 0.662 120.634 119.950 0.036 0.000 2.556 613 F HA 0.363 4.896 4.527 0.009 0.000 0.314 613 F C 0.130 176.040 175.800 0.183 0.000 1.106 613 F CA -0.658 57.420 58.000 0.131 0.000 0.911 613 F CB 1.904 41.009 39.000 0.175 0.000 1.190 613 F HN -0.387 nan 8.300 nan 0.000 0.448 614 T N 4.106 118.813 114.554 0.254 0.000 2.799 614 T HA 0.424 4.780 4.350 0.009 0.000 0.286 614 T C -2.501 172.202 174.700 0.005 0.000 0.973 614 T CA -1.380 60.765 62.100 0.075 0.000 1.035 614 T CB 1.122 70.004 68.868 0.023 0.000 0.932 614 T HN 0.153 nan 8.240 nan 0.000 0.469 615 P HA 0.199 nan 4.420 nan 0.000 0.272 615 P C -0.168 177.049 177.300 -0.138 0.000 1.223 615 P CA -0.571 62.285 63.100 -0.407 0.000 0.784 615 P CB 0.330 31.599 31.700 -0.719 0.000 0.923 616 S N 2.165 117.826 115.700 -0.066 0.000 2.585 616 S HA 0.342 4.817 4.470 0.009 0.000 0.273 616 S C -2.073 172.515 174.600 -0.020 0.000 1.339 616 S CA -1.086 57.099 58.200 -0.025 0.000 1.028 616 S CB -0.732 62.460 63.200 -0.015 0.000 0.906 616 S HN 0.360 nan 8.310 nan 0.000 0.528 617 P HA 0.122 nan 4.420 nan 0.000 0.268 617 P C -0.301 177.069 177.300 0.116 0.000 1.204 617 P CA -0.345 62.785 63.100 0.051 0.000 0.768 617 P CB 0.184 31.909 31.700 0.041 0.000 0.842 618 F N 0.000 119.935 119.950 -0.025 0.000 2.286 618 F HA 0.000 4.532 4.527 0.009 0.000 0.279 618 F CA 0.000 57.991 58.000 -0.014 0.000 1.383 618 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574