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 3lsh_1_C DATA FIRST_RESID 45 DATA SEQUENCE IKYDVVIVGS GPIGCTYARE LVGAGYKVAM FDIGEIDSGL KIGAHKKNTV DATA SEQUENCE EYQKNIDKFV NVIQGQLMSV SVPVNTLVVD TLSPTSWQAS TFFVRNGSNP DATA SEQUENCE EQDPLRNLSG QAVTRVVGGM STHWACATPR 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 PSPFT 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 0.000 176.018 176.117 -0.164 0.000 1.063 45 I CA 0.000 61.202 61.300 -0.163 0.000 1.566 45 I CB 0.000 37.779 38.000 -0.369 0.000 1.214 46 K N 0.540 120.730 120.400 -0.350 0.000 2.345 46 K HA 0.684 5.004 4.320 -0.001 0.000 0.255 46 K C -2.155 174.144 176.600 -0.501 0.000 0.934 46 K CA -0.354 55.786 56.287 -0.245 0.000 0.801 46 K CB 1.013 33.435 32.500 -0.130 0.000 1.137 46 K HN 0.412 nan 8.250 nan 0.000 0.424 47 Y N 1.233 121.521 120.300 -0.021 0.000 2.602 47 Y HA 0.253 4.802 4.550 -0.001 0.000 0.342 47 Y C 0.727 176.595 175.900 -0.052 0.000 1.029 47 Y CA -0.705 57.373 58.100 -0.036 0.000 1.080 47 Y CB 1.904 40.346 38.460 -0.031 0.000 1.284 47 Y HN 0.646 nan 8.280 nan 0.000 0.485 48 D N 0.220 120.692 120.400 0.120 0.000 2.117 48 D HA -0.002 4.637 4.640 -0.001 0.000 0.198 48 D C -0.282 175.990 176.300 -0.046 0.000 0.982 48 D CA 1.496 55.545 54.000 0.082 0.000 0.828 48 D CB 0.214 41.141 40.800 0.212 0.000 0.967 48 D HN 0.111 nan 8.370 nan 0.000 0.464 49 V N 0.832 120.718 119.914 -0.046 0.000 2.760 49 V HA 0.395 4.514 4.120 -0.001 0.000 0.309 49 V C -0.308 175.695 176.094 -0.153 0.000 1.077 49 V CA -1.060 61.129 62.300 -0.185 0.000 0.910 49 V CB 2.547 34.244 31.823 -0.210 0.000 1.008 49 V HN -0.015 nan 8.190 nan 0.000 0.424 50 V N 2.503 122.293 119.914 -0.206 0.000 2.680 50 V HA 0.782 4.901 4.120 -0.001 0.000 0.309 50 V C -0.728 175.320 176.094 -0.077 0.000 1.052 50 V CA -0.686 61.553 62.300 -0.100 0.000 0.908 50 V CB 1.909 33.754 31.823 0.036 0.000 1.001 50 V HN 0.699 nan 8.190 nan 0.000 0.431 51 I N 3.609 124.160 120.570 -0.033 0.000 2.466 51 I HA 0.491 4.660 4.170 -0.001 0.000 0.289 51 I C -0.667 175.478 176.117 0.047 0.000 1.026 51 I CA -0.920 60.342 61.300 -0.063 0.000 1.078 51 I CB 2.321 40.263 38.000 -0.097 0.000 1.249 51 I HN 0.463 nan 8.210 nan 0.000 0.429 52 V N 5.404 125.329 119.914 0.019 0.000 2.364 52 V HA 0.786 4.906 4.120 -0.001 0.000 0.272 52 V C 0.466 176.565 176.094 0.009 0.000 1.036 52 V CA -0.307 62.025 62.300 0.052 0.000 0.880 52 V CB 0.570 32.398 31.823 0.007 0.000 0.991 52 V HN 1.057 nan 8.190 nan 0.000 0.460 53 G N 3.932 112.751 108.800 0.031 0.000 3.225 53 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.686 53 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.686 53 G C -0.055 174.854 174.900 0.013 0.000 1.105 53 G CA -0.277 44.831 45.100 0.012 0.000 0.831 53 G HN 1.274 nan 8.290 nan 0.000 0.578 54 S N 1.293 117.003 115.700 0.016 0.000 2.537 54 S HA 0.600 5.070 4.470 -0.001 0.000 0.246 54 S C 1.327 175.928 174.600 0.003 0.000 1.036 54 S CA 0.614 58.830 58.200 0.026 0.000 1.041 54 S CB 0.688 63.916 63.200 0.046 0.000 0.799 54 S HN 1.866 nan 8.310 nan 0.000 0.456 55 G N 2.727 111.518 108.800 -0.015 0.000 2.611 55 G HA2 0.373 4.333 3.960 -0.001 0.000 0.273 55 G HA3 0.373 4.333 3.960 -0.001 0.000 0.273 55 G C -1.116 173.755 174.900 -0.048 0.000 1.305 55 G CA -1.312 43.760 45.100 -0.047 0.000 1.010 55 G HN 0.255 nan 8.290 nan 0.000 0.509 56 P HA -0.092 nan 4.420 nan 0.000 0.218 56 P C 1.679 178.919 177.300 -0.100 0.000 1.148 56 P CA 0.926 63.972 63.100 -0.090 0.000 0.822 56 P CB 0.158 31.825 31.700 -0.055 0.000 0.784 57 I N -0.495 120.051 120.570 -0.041 0.000 2.480 57 I HA 0.015 4.184 4.170 -0.001 0.000 0.251 57 I C 2.611 178.786 176.117 0.096 0.000 1.124 57 I CA 1.324 62.633 61.300 0.014 0.000 1.444 57 I CB -2.138 35.897 38.000 0.059 0.000 1.098 57 I HN -0.007 nan 8.210 nan 0.000 0.428 58 G N 0.182 109.010 108.800 0.048 0.000 2.422 58 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 58 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 58 G C 1.737 176.638 174.900 0.002 0.000 1.146 58 G CA 0.829 45.951 45.100 0.036 0.000 0.769 58 G HN 0.390 nan 8.290 nan 0.000 0.547 59 C N 0.703 119.978 119.300 -0.041 0.000 2.446 59 C HA 0.043 4.503 4.460 -0.001 0.000 0.279 59 C C 3.181 178.052 174.990 -0.199 0.000 1.366 59 C CA 1.343 60.296 59.018 -0.107 0.000 1.763 59 C CB -0.885 26.838 27.740 -0.029 0.000 1.929 59 C HN 0.448 nan 8.230 nan 0.000 0.509 60 T N 0.120 114.578 114.554 -0.161 0.000 2.708 60 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 60 T C 1.455 175.993 174.700 -0.271 0.000 1.037 60 T CA 1.686 63.656 62.100 -0.216 0.000 1.146 60 T CB -0.435 68.322 68.868 -0.185 0.000 0.865 60 T HN 0.562 nan 8.240 nan 0.000 0.435 61 Y N 1.489 121.652 120.300 -0.228 0.000 2.181 61 Y HA -0.052 4.497 4.550 -0.001 0.000 0.288 61 Y C 2.783 178.471 175.900 -0.354 0.000 1.146 61 Y CA 0.946 58.892 58.100 -0.257 0.000 1.164 61 Y CB -0.681 37.645 38.460 -0.223 0.000 0.982 61 Y HN 0.199 nan 8.280 nan 0.000 0.515 62 A N 0.097 122.728 122.820 -0.315 0.000 1.902 62 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 62 A C 2.258 179.294 177.584 -0.913 0.000 1.181 62 A CA 1.809 53.426 52.037 -0.699 0.000 0.623 62 A CB -0.739 17.591 19.000 -1.115 0.000 0.818 62 A HN 0.441 nan 8.150 nan 0.000 0.443 63 R N -0.304 119.721 120.500 -0.791 0.000 2.080 63 R HA -0.163 4.176 4.340 -0.001 0.000 0.236 63 R C 2.065 178.164 176.300 -0.336 0.000 1.137 63 R CA 1.786 57.559 56.100 -0.544 0.000 0.943 63 R CB -0.261 29.741 30.300 -0.496 0.000 0.846 63 R HN 0.565 nan 8.270 nan 0.000 0.431 64 E N 0.356 120.382 120.200 -0.291 0.000 2.077 64 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 64 E C 2.112 178.643 176.600 -0.115 0.000 0.989 64 E CA 1.321 57.620 56.400 -0.169 0.000 0.800 64 E CB -0.040 29.553 29.700 -0.179 0.000 0.746 64 E HN 0.443 nan 8.360 nan 0.000 0.452 65 L N 0.195 121.322 121.223 -0.159 0.000 2.202 65 L HA -0.049 4.291 4.340 -0.001 0.000 0.205 65 L C 2.539 179.464 176.870 0.091 0.000 1.083 65 L CA 0.236 55.032 54.840 -0.073 0.000 0.790 65 L CB -0.289 41.621 42.059 -0.248 0.000 0.942 65 L HN -0.060 nan 8.230 nan 0.000 0.452 66 V N 0.706 120.589 119.914 -0.053 0.000 2.287 66 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 66 V C 2.632 178.763 176.094 0.061 0.000 1.053 66 V CA 2.125 64.435 62.300 0.016 0.000 1.027 66 V CB -1.339 30.432 31.823 -0.087 0.000 0.646 66 V HN 0.571 nan 8.190 nan 0.000 0.447 67 G N -0.672 108.134 108.800 0.011 0.000 2.470 67 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.220 67 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.220 67 G C 1.335 176.270 174.900 0.058 0.000 1.121 67 G CA 0.874 45.993 45.100 0.032 0.000 0.766 67 G HN 0.662 nan 8.290 nan 0.000 0.553 68 A N -0.817 122.066 122.820 0.103 0.000 2.387 68 A HA 0.538 4.857 4.320 -0.001 0.000 0.234 68 A C 1.732 179.342 177.584 0.043 0.000 1.253 68 A CA 1.038 53.143 52.037 0.114 0.000 0.894 68 A CB -0.128 18.999 19.000 0.212 0.000 0.963 68 A HN 1.480 nan 8.150 nan 0.000 0.508 69 G N -1.841 106.999 108.800 0.066 0.000 2.159 69 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.227 69 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.227 69 G C -0.067 174.797 174.900 -0.058 0.000 0.986 69 G CA 0.040 45.141 45.100 0.002 0.000 0.651 69 G HN 0.376 nan 8.290 nan 0.000 0.523 70 Y N 0.405 120.719 120.300 0.023 0.000 2.326 70 Y HA 0.480 5.029 4.550 -0.001 0.000 0.333 70 Y C 1.095 177.004 175.900 0.014 0.000 1.240 70 Y CA -0.051 58.055 58.100 0.010 0.000 1.365 70 Y CB 0.733 39.183 38.460 -0.015 0.000 1.289 70 Y HN 0.040 nan 8.280 nan 0.000 0.548 71 K N 2.455 122.952 120.400 0.162 0.000 2.263 71 K HA 0.440 4.759 4.320 -0.001 0.000 0.282 71 K C -1.644 175.056 176.600 0.165 0.000 1.089 71 K CA -0.188 56.165 56.287 0.110 0.000 0.907 71 K CB 0.129 32.654 32.500 0.042 0.000 1.148 71 K HN 0.482 nan 8.250 nan 0.000 0.470 72 V N 3.213 123.209 119.914 0.137 0.000 2.459 72 V HA 0.563 4.682 4.120 -0.001 0.000 0.295 72 V C -0.259 175.750 176.094 -0.143 0.000 1.029 72 V CA -0.909 61.424 62.300 0.055 0.000 0.874 72 V CB 1.421 33.322 31.823 0.129 0.000 0.985 72 V HN 0.869 nan 8.190 nan 0.000 0.438 73 A N 5.861 128.446 122.820 -0.391 0.000 2.350 73 A HA 0.939 5.258 4.320 -0.001 0.000 0.324 73 A C -0.633 176.616 177.584 -0.557 0.000 1.118 73 A CA -0.629 50.964 52.037 -0.740 0.000 0.783 73 A CB 1.573 19.774 19.000 -1.331 0.000 1.236 73 A HN 0.913 nan 8.150 nan 0.000 0.457 74 M N 2.329 121.508 119.600 -0.702 0.000 2.395 74 M HA 0.738 5.218 4.480 -0.001 0.000 0.307 74 M C -2.166 173.766 176.300 -0.614 0.000 1.091 74 M CA -0.435 54.626 55.300 -0.399 0.000 0.919 74 M CB 1.198 33.768 32.600 -0.050 0.000 1.662 74 M HN 0.589 nan 8.290 nan 0.000 0.440 75 F N 2.283 122.220 119.950 -0.023 0.000 2.480 75 F HA 0.574 5.101 4.527 -0.001 0.000 0.329 75 F C -0.126 175.667 175.800 -0.012 0.000 1.091 75 F CA -0.467 57.537 58.000 0.007 0.000 0.972 75 F CB 1.455 40.439 39.000 -0.027 0.000 1.150 75 F HN 0.464 nan 8.300 nan 0.000 0.467 76 D N 2.697 123.179 120.400 0.137 0.000 2.879 76 D HA 0.217 4.856 4.640 -0.001 0.000 0.236 76 D C 0.374 176.691 176.300 0.027 0.000 1.171 76 D CA -0.343 53.690 54.000 0.055 0.000 0.868 76 D CB 2.430 43.244 40.800 0.024 0.000 1.598 76 D HN 0.649 nan 8.370 nan 0.000 0.497 77 I N 1.935 122.476 120.570 -0.048 0.000 2.830 77 I HA 0.058 4.227 4.170 -0.001 0.000 0.263 77 I C 1.054 177.118 176.117 -0.089 0.000 1.230 77 I CA 0.665 61.890 61.300 -0.125 0.000 1.480 77 I CB 0.164 37.974 38.000 -0.317 0.000 1.095 77 I HN 0.331 nan 8.210 nan 0.000 0.455 78 G N -0.179 108.593 108.800 -0.047 0.000 2.642 78 G HA2 0.439 4.399 3.960 -0.001 0.000 0.291 78 G HA3 0.439 4.399 3.960 -0.001 0.000 0.291 78 G C -0.931 173.980 174.900 0.018 0.000 1.345 78 G CA -0.420 44.677 45.100 -0.006 0.000 1.043 78 G HN 0.262 nan 8.290 nan 0.000 0.528 79 E N -1.533 118.685 120.200 0.030 0.000 2.339 79 E HA 0.410 4.759 4.350 -0.001 0.000 0.262 79 E C -0.609 176.010 176.600 0.032 0.000 0.934 79 E CA -0.748 55.671 56.400 0.032 0.000 0.802 79 E CB 2.557 32.281 29.700 0.039 0.000 1.275 79 E HN 0.258 nan 8.360 nan 0.000 0.427 80 I N 2.491 123.078 120.570 0.029 0.000 2.436 80 I HA 0.029 4.199 4.170 -0.001 0.000 0.289 80 I C 0.124 176.266 176.117 0.041 0.000 1.083 80 I CA 0.480 61.799 61.300 0.031 0.000 1.372 80 I CB 0.237 38.250 38.000 0.021 0.000 1.408 80 I HN 0.581 nan 8.210 nan 0.000 0.516 81 D N 1.428 121.859 120.400 0.053 0.000 2.401 81 D HA -0.047 4.592 4.640 -0.001 0.000 0.269 81 D C 1.040 177.390 176.300 0.083 0.000 1.117 81 D CA -0.035 54.004 54.000 0.064 0.000 0.829 81 D CB -0.039 40.802 40.800 0.067 0.000 1.350 81 D HN 0.231 nan 8.370 nan 0.000 0.529 82 S N 0.568 116.321 115.700 0.088 0.000 2.894 82 S HA 0.461 4.930 4.470 -0.001 0.000 0.231 82 S C 1.162 175.827 174.600 0.108 0.000 0.971 82 S CA 0.522 58.791 58.200 0.115 0.000 1.005 82 S CB -0.851 62.416 63.200 0.112 0.000 0.799 82 S HN 0.825 nan 8.310 nan 0.000 0.527 83 G N 0.852 109.704 108.800 0.086 0.000 2.615 83 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 83 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 83 G C 0.296 175.226 174.900 0.051 0.000 1.339 83 G CA -0.298 44.845 45.100 0.072 0.000 0.884 83 G HN 0.294 nan 8.290 nan 0.000 0.559 84 L N 0.229 121.476 121.223 0.040 0.000 2.240 84 L HA 0.136 4.475 4.340 -0.001 0.000 0.211 84 L C 1.539 178.418 176.870 0.015 0.000 1.106 84 L CA 0.867 55.720 54.840 0.021 0.000 0.793 84 L CB -0.282 41.785 42.059 0.012 0.000 0.927 84 L HN 0.331 nan 8.230 nan 0.000 0.446 85 K N 1.805 122.221 120.400 0.028 0.000 2.262 85 K HA 0.275 4.595 4.320 -0.001 0.000 0.288 85 K C -0.293 176.321 176.600 0.025 0.000 1.090 85 K CA -0.177 56.122 56.287 0.020 0.000 0.918 85 K CB 0.662 33.187 32.500 0.042 0.000 1.139 85 K HN 0.098 nan 8.250 nan 0.000 0.462 86 I N 2.127 122.697 120.570 -0.000 0.000 2.587 86 I HA -0.076 4.093 4.170 -0.001 0.000 0.284 86 I C 1.346 177.473 176.117 0.018 0.000 1.134 86 I CA 0.846 62.151 61.300 0.007 0.000 1.410 86 I CB 0.341 38.336 38.000 -0.008 0.000 1.392 86 I HN 0.967 nan 8.210 nan 0.000 0.545 87 G N 4.203 113.023 108.800 0.034 0.000 2.143 87 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.249 87 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.249 87 G C 0.304 175.239 174.900 0.058 0.000 0.981 87 G CA 0.008 45.129 45.100 0.035 0.000 0.665 87 G HN 0.951 nan 8.290 nan 0.000 0.528 88 A N -0.367 122.505 122.820 0.088 0.000 2.259 88 A HA 0.641 4.960 4.320 -0.001 0.000 0.278 88 A C 0.527 178.222 177.584 0.185 0.000 1.107 88 A CA -0.297 51.828 52.037 0.147 0.000 0.828 88 A CB 0.296 19.386 19.000 0.150 0.000 1.111 88 A HN 0.597 nan 8.150 nan 0.000 0.498 89 H N 0.239 119.424 119.070 0.191 0.000 2.848 89 H HA 0.131 4.686 4.556 -0.001 0.000 0.317 89 H C 0.655 176.092 175.328 0.182 0.000 1.046 89 H CA 0.634 56.806 56.048 0.207 0.000 1.470 89 H CB 0.909 30.812 29.762 0.235 0.000 1.483 89 H HN 0.659 nan 8.280 nan 0.000 0.548 90 K N 3.296 123.919 120.400 0.371 0.000 2.439 90 K HA -0.060 4.260 4.320 -0.001 0.000 0.197 90 K C 1.633 178.426 176.600 0.322 0.000 1.041 90 K CA 0.505 57.031 56.287 0.399 0.000 0.970 90 K CB 0.402 33.178 32.500 0.460 0.000 0.773 90 K HN 0.428 nan 8.250 nan 0.000 0.479 91 K N 0.779 121.240 120.400 0.101 0.000 2.486 91 K HA 0.010 4.330 4.320 -0.001 0.000 0.194 91 K C 0.294 176.878 176.600 -0.027 0.000 1.033 91 K CA 0.321 56.319 56.287 -0.483 0.000 1.004 91 K CB 0.213 32.111 32.500 -1.003 0.000 0.798 91 K HN 0.041 nan 8.250 nan 0.000 0.495 92 N N 1.867 120.676 118.700 0.182 0.000 2.623 92 N HA -0.029 4.711 4.740 -0.001 0.000 0.263 92 N C -0.534 175.259 175.510 0.473 0.000 1.218 92 N CA 0.290 53.518 53.050 0.296 0.000 0.949 92 N CB 0.440 39.127 38.487 0.333 0.000 1.270 92 N HN 0.204 nan 8.380 nan 0.000 0.507 93 T N -4.335 110.469 114.554 0.416 0.000 2.918 93 T HA 0.360 4.709 4.350 -0.001 0.000 0.286 93 T C 1.519 176.454 174.700 0.392 0.000 1.026 93 T CA -0.785 61.529 62.100 0.358 0.000 1.031 93 T CB 1.589 70.608 68.868 0.253 0.000 1.046 93 T HN -0.183 nan 8.240 nan 0.000 0.479 94 V N 1.341 121.398 119.914 0.240 0.000 2.295 94 V HA -0.107 4.012 4.120 -0.001 0.000 0.246 94 V C 2.839 179.007 176.094 0.123 0.000 1.049 94 V CA 2.345 64.758 62.300 0.189 0.000 1.024 94 V CB -1.066 30.780 31.823 0.038 0.000 0.648 94 V HN 1.047 nan 8.190 nan 0.000 0.447 95 E N -0.213 120.003 120.200 0.026 0.000 2.097 95 E HA -0.243 4.106 4.350 -0.001 0.000 0.196 95 E C 1.993 178.549 176.600 -0.073 0.000 1.000 95 E CA 1.915 58.269 56.400 -0.076 0.000 0.804 95 E CB -0.375 29.206 29.700 -0.197 0.000 0.740 95 E HN 0.681 nan 8.360 nan 0.000 0.454 96 Y N 0.470 120.837 120.300 0.112 0.000 2.337 96 Y HA 0.028 4.577 4.550 -0.001 0.000 0.293 96 Y C 2.163 178.091 175.900 0.047 0.000 1.123 96 Y CA 1.169 59.326 58.100 0.095 0.000 1.201 96 Y CB -0.133 38.387 38.460 0.100 0.000 1.011 96 Y HN 0.159 nan 8.280 nan 0.000 0.545 97 Q N -0.175 119.745 119.800 0.202 0.000 2.435 97 Q HA -0.094 4.245 4.340 -0.001 0.000 0.207 97 Q C 1.514 177.578 176.000 0.108 0.000 0.956 97 Q CA 0.685 56.559 55.803 0.119 0.000 0.917 97 Q CB 0.016 28.797 28.738 0.071 0.000 0.997 97 Q HN 0.442 nan 8.270 nan 0.000 0.497 98 K N 0.235 120.698 120.400 0.105 0.000 2.426 98 K HA 0.063 4.382 4.320 -0.001 0.000 0.193 98 K C 0.208 176.847 176.600 0.065 0.000 1.028 98 K CA 0.330 56.658 56.287 0.069 0.000 1.047 98 K CB 0.486 33.013 32.500 0.045 0.000 0.821 98 K HN 0.077 nan 8.250 nan 0.000 0.513 99 N N 0.976 119.735 118.700 0.099 0.000 2.651 99 N HA 0.025 4.764 4.740 -0.001 0.000 0.277 99 N C 0.141 175.751 175.510 0.167 0.000 1.787 99 N CA 0.031 53.147 53.050 0.110 0.000 0.818 99 N CB 0.933 39.484 38.487 0.106 0.000 1.316 99 N HN -0.008 nan 8.380 nan 0.000 0.503 100 I N 1.808 122.448 120.570 0.116 0.000 2.335 100 I HA -0.233 3.936 4.170 -0.001 0.000 0.251 100 I C 1.678 177.854 176.117 0.098 0.000 1.129 100 I CA 1.764 63.119 61.300 0.092 0.000 1.402 100 I CB 0.002 38.011 38.000 0.015 0.000 1.069 100 I HN 0.240 nan 8.210 nan 0.000 0.424 101 D N 0.541 120.989 120.400 0.080 0.000 2.158 101 D HA -0.257 4.382 4.640 -0.001 0.000 0.197 101 D C 1.603 177.950 176.300 0.078 0.000 0.995 101 D CA 1.227 55.264 54.000 0.062 0.000 0.846 101 D CB -0.610 40.223 40.800 0.055 0.000 0.941 101 D HN 0.367 nan 8.370 nan 0.000 0.456 102 K N 0.082 120.566 120.400 0.141 0.000 2.217 102 K HA -0.037 4.283 4.320 -0.001 0.000 0.202 102 K C 1.954 178.630 176.600 0.127 0.000 1.051 102 K CA -0.032 56.354 56.287 0.165 0.000 0.952 102 K CB -0.679 31.983 32.500 0.271 0.000 0.736 102 K HN 0.188 nan 8.250 nan 0.000 0.453 103 F N 2.221 122.135 119.950 -0.060 0.000 2.202 103 F HA -0.216 4.311 4.527 -0.001 0.000 0.301 103 F C 1.982 177.645 175.800 -0.227 0.000 1.082 103 F CA 0.657 58.473 58.000 -0.305 0.000 1.313 103 F CB -0.250 38.534 39.000 -0.360 0.000 1.024 103 F HN -0.289 nan 8.300 nan 0.000 0.495 104 V N 0.570 120.388 119.914 -0.161 0.000 2.278 104 V HA -0.428 3.691 4.120 -0.001 0.000 0.251 104 V C 1.945 177.884 176.094 -0.258 0.000 1.062 104 V CA 2.572 64.749 62.300 -0.206 0.000 1.038 104 V CB -1.022 30.737 31.823 -0.106 0.000 0.646 104 V HN 0.405 nan 8.190 nan 0.000 0.447 105 N N -0.377 118.207 118.700 -0.193 0.000 2.120 105 N HA -0.138 4.602 4.740 -0.001 0.000 0.188 105 N C 1.679 177.035 175.510 -0.257 0.000 1.024 105 N CA 1.295 54.248 53.050 -0.160 0.000 0.852 105 N CB -0.296 38.150 38.487 -0.068 0.000 1.003 105 N HN 0.312 nan 8.380 nan 0.000 0.424 106 V N 1.440 121.104 119.914 -0.417 0.000 2.287 106 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 106 V C 2.046 177.780 176.094 -0.600 0.000 1.053 106 V CA 1.488 63.472 62.300 -0.528 0.000 1.027 106 V CB -0.492 30.812 31.823 -0.865 0.000 0.646 106 V HN 0.320 nan 8.190 nan 0.000 0.447 107 I N -0.337 119.773 120.570 -0.766 0.000 2.179 107 I HA -0.331 3.838 4.170 -0.001 0.000 0.242 107 I C 2.675 178.545 176.117 -0.412 0.000 1.088 107 I CA 1.732 62.609 61.300 -0.705 0.000 1.357 107 I CB -0.475 37.190 38.000 -0.559 0.000 1.051 107 I HN 0.377 nan 8.210 nan 0.000 0.409 108 Q N 0.492 120.129 119.800 -0.271 0.000 2.170 108 Q HA -0.146 4.193 4.340 -0.001 0.000 0.203 108 Q C 2.331 178.254 176.000 -0.127 0.000 0.976 108 Q CA 1.531 57.245 55.803 -0.149 0.000 0.858 108 Q CB -0.435 28.244 28.738 -0.099 0.000 0.907 108 Q HN 0.656 nan 8.270 nan 0.000 0.433 109 G N 0.408 109.114 108.800 -0.156 0.000 2.422 109 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.218 109 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.218 109 G C 1.401 176.252 174.900 -0.082 0.000 1.140 109 G CA 0.511 45.551 45.100 -0.100 0.000 0.775 109 G HN 0.176 nan 8.290 nan 0.000 0.545 110 Q N -0.628 119.090 119.800 -0.135 0.000 2.402 110 Q HA 0.296 4.635 4.340 -0.001 0.000 0.206 110 Q C 0.840 176.841 176.000 0.002 0.000 0.919 110 Q CA -0.135 55.637 55.803 -0.052 0.000 0.923 110 Q CB -0.050 28.670 28.738 -0.029 0.000 1.048 110 Q HN 0.340 nan 8.270 nan 0.000 0.515 111 L N 1.973 123.175 121.223 -0.035 0.000 2.369 111 L HA 0.217 4.557 4.340 -0.001 0.000 0.279 111 L C -0.498 176.403 176.870 0.052 0.000 1.108 111 L CA -0.241 54.621 54.840 0.036 0.000 0.852 111 L CB 0.548 42.619 42.059 0.020 0.000 1.169 111 L HN 0.150 nan 8.230 nan 0.000 0.452 112 M N 2.447 122.100 119.600 0.088 0.000 2.180 112 M HA 0.267 4.747 4.480 -0.001 0.000 0.350 112 M C 0.132 176.494 176.300 0.103 0.000 1.125 112 M CA -0.443 54.911 55.300 0.090 0.000 1.031 112 M CB 1.264 33.933 32.600 0.114 0.000 1.623 112 M HN 0.370 nan 8.290 nan 0.000 0.451 113 S N 1.884 117.632 115.700 0.081 0.000 2.552 113 S HA 0.159 4.628 4.470 -0.001 0.000 0.289 113 S C 1.602 176.266 174.600 0.107 0.000 1.304 113 S CA -0.564 57.685 58.200 0.082 0.000 1.063 113 S CB 0.883 64.115 63.200 0.053 0.000 0.848 113 S HN 0.538 nan 8.310 nan 0.000 0.499 114 V N 2.173 122.167 119.914 0.133 0.000 2.407 114 V HA 0.041 4.160 4.120 -0.001 0.000 0.245 114 V C 1.154 177.293 176.094 0.076 0.000 1.041 114 V CA 1.316 63.700 62.300 0.140 0.000 1.040 114 V CB 0.200 32.151 31.823 0.212 0.000 0.671 114 V HN 0.797 nan 8.190 nan 0.000 0.455 115 S N -0.258 115.501 115.700 0.099 0.000 2.775 115 S HA 0.489 4.958 4.470 -0.001 0.000 0.277 115 S C -1.086 173.532 174.600 0.030 0.000 1.156 115 S CA -0.473 57.741 58.200 0.023 0.000 1.081 115 S CB 1.394 64.594 63.200 -0.001 0.000 1.054 115 S HN 0.002 nan 8.310 nan 0.000 0.482 116 V N 7.707 127.625 119.914 0.007 0.000 2.350 116 V HA 0.498 4.618 4.120 -0.001 0.000 0.276 116 V C -1.918 174.166 176.094 -0.017 0.000 1.028 116 V CA -1.840 60.459 62.300 -0.002 0.000 0.860 116 V CB 1.087 32.910 31.823 -0.001 0.000 0.990 116 V HN 0.699 nan 8.190 nan 0.000 0.453 117 P HA 0.066 nan 4.420 nan 0.000 0.271 117 P C -0.085 177.194 177.300 -0.034 0.000 1.233 117 P CA -0.057 63.026 63.100 -0.027 0.000 0.789 117 P CB 0.557 32.238 31.700 -0.031 0.000 0.951 118 V N 2.172 122.068 119.914 -0.029 0.000 2.617 118 V HA -0.050 4.069 4.120 -0.001 0.000 0.304 118 V C 1.293 177.340 176.094 -0.079 0.000 1.040 118 V CA 0.230 62.509 62.300 -0.035 0.000 1.149 118 V CB -0.755 31.072 31.823 0.005 0.000 0.914 118 V HN 0.610 nan 8.190 nan 0.000 0.487 119 N N 3.575 122.221 118.700 -0.090 0.000 2.520 119 N HA 0.121 4.860 4.740 -0.001 0.000 0.273 119 N C 0.528 175.881 175.510 -0.261 0.000 1.155 119 N CA 0.502 53.473 53.050 -0.132 0.000 0.967 119 N CB 1.535 39.972 38.487 -0.083 0.000 1.092 119 N HN 0.889 nan 8.380 nan 0.000 0.457 120 T N 0.395 114.671 114.554 -0.463 0.000 3.337 120 T HA 0.251 4.600 4.350 -0.001 0.000 0.299 120 T C 0.690 174.945 174.700 -0.741 0.000 0.998 120 T CA -0.445 60.928 62.100 -1.211 0.000 0.948 120 T CB -0.549 67.676 68.868 -1.072 0.000 1.170 120 T HN 0.270 nan 8.240 nan 0.000 0.508 121 L N 2.001 123.062 121.223 -0.270 0.000 2.490 121 L HA 0.323 4.663 4.340 -0.001 0.000 0.274 121 L C 0.149 177.081 176.870 0.104 0.000 1.201 121 L CA -0.575 54.222 54.840 -0.071 0.000 0.869 121 L CB 0.555 42.599 42.059 -0.025 0.000 1.123 121 L HN 0.071 nan 8.230 nan 0.000 0.484 122 V N 4.716 124.700 119.914 0.117 0.000 2.385 122 V HA 0.168 4.287 4.120 -0.001 0.000 0.269 122 V C 0.218 176.381 176.094 0.115 0.000 1.043 122 V CA -0.436 61.977 62.300 0.189 0.000 0.906 122 V CB 1.515 33.434 31.823 0.160 0.000 0.995 122 V HN 0.430 nan 8.190 nan 0.000 0.467 123 V N 5.491 125.475 119.914 0.116 0.000 2.275 123 V HA 0.299 4.419 4.120 -0.001 0.000 0.272 123 V C 0.231 176.359 176.094 0.057 0.000 1.028 123 V CA -0.454 61.891 62.300 0.076 0.000 0.810 123 V CB 1.257 33.128 31.823 0.080 0.000 1.043 123 V HN 1.065 nan 8.190 nan 0.000 0.453 124 D N 1.974 122.400 120.400 0.043 0.000 2.463 124 D HA 0.013 4.652 4.640 -0.001 0.000 0.224 124 D C 1.126 177.438 176.300 0.019 0.000 1.174 124 D CA 0.154 54.170 54.000 0.026 0.000 0.829 124 D CB 0.367 41.181 40.800 0.024 0.000 0.993 124 D HN 0.540 nan 8.370 nan 0.000 0.497 125 T N -2.031 112.538 114.554 0.025 0.000 3.266 125 T HA 0.328 4.677 4.350 -0.001 0.000 0.278 125 T C 0.601 175.315 174.700 0.023 0.000 1.010 125 T CA -0.573 61.540 62.100 0.021 0.000 0.909 125 T CB -0.268 68.613 68.868 0.021 0.000 1.122 125 T HN 0.018 nan 8.240 nan 0.000 0.536 126 L N 1.883 123.121 121.223 0.026 0.000 2.467 126 L HA 0.335 4.675 4.340 -0.001 0.000 0.270 126 L C 1.157 178.040 176.870 0.022 0.000 1.205 126 L CA -0.567 54.292 54.840 0.032 0.000 0.828 126 L CB 0.549 42.632 42.059 0.039 0.000 1.101 126 L HN 0.266 nan 8.230 nan 0.000 0.479 127 S N 1.828 117.544 115.700 0.027 0.000 2.558 127 S HA 0.052 4.522 4.470 -0.001 0.000 0.288 127 S C -1.456 173.151 174.600 0.012 0.000 1.318 127 S CA -0.969 57.243 58.200 0.020 0.000 1.056 127 S CB 0.703 63.919 63.200 0.026 0.000 0.853 127 S HN 0.394 nan 8.310 nan 0.000 0.505 128 P HA -0.062 nan 4.420 nan 0.000 0.221 128 P C 1.220 178.518 177.300 -0.004 0.000 1.145 128 P CA 1.224 64.319 63.100 -0.008 0.000 0.795 128 P CB -0.131 31.564 31.700 -0.009 0.000 0.775 129 T N -5.969 108.592 114.554 0.012 0.000 3.081 129 T HA 0.138 4.487 4.350 -0.001 0.000 0.255 129 T C 0.968 175.696 174.700 0.045 0.000 1.113 129 T CA -0.086 62.027 62.100 0.022 0.000 1.082 129 T CB -0.522 68.362 68.868 0.027 0.000 0.939 129 T HN -0.116 nan 8.240 nan 0.000 0.506 130 S N 1.397 117.129 115.700 0.053 0.000 2.576 130 S HA 0.261 4.731 4.470 -0.001 0.000 0.276 130 S C -0.544 174.133 174.600 0.128 0.000 1.339 130 S CA -0.956 57.304 58.200 0.100 0.000 1.039 130 S CB 0.145 63.402 63.200 0.095 0.000 0.902 130 S HN 0.609 nan 8.310 nan 0.000 0.516 131 W N 3.074 124.384 121.300 0.017 0.000 2.308 131 W HA 0.206 4.865 4.660 -0.001 0.000 0.324 131 W C 0.249 176.786 176.519 0.029 0.000 1.387 131 W CA 0.234 57.588 57.345 0.016 0.000 1.250 131 W CB 0.171 29.640 29.460 0.016 0.000 1.257 131 W HN 0.551 nan 8.180 nan 0.000 0.554 132 Q N 5.062 124.543 119.800 -0.531 0.000 2.356 132 Q HA 0.629 4.969 4.340 -0.001 0.000 0.270 132 Q C -0.790 174.730 176.000 -0.799 0.000 1.058 132 Q CA -0.896 54.667 55.803 -0.399 0.000 0.802 132 Q CB 1.813 30.407 28.738 -0.241 0.000 1.303 132 Q HN 0.593 nan 8.270 nan 0.000 0.444 133 A N 2.168 124.771 122.820 -0.362 0.000 2.371 133 A HA 0.329 4.648 4.320 -0.001 0.000 0.257 133 A C 0.382 177.816 177.584 -0.251 0.000 1.089 133 A CA -0.172 51.733 52.037 -0.221 0.000 0.794 133 A CB 0.886 20.030 19.000 0.239 0.000 1.029 133 A HN 0.873 nan 8.150 nan 0.000 0.488 134 S N -0.432 115.138 115.700 -0.217 0.000 2.503 134 S HA 0.120 4.590 4.470 -0.001 0.000 0.217 134 S C 0.837 175.333 174.600 -0.174 0.000 0.999 134 S CA 0.904 58.992 58.200 -0.187 0.000 0.914 134 S CB -0.050 63.058 63.200 -0.154 0.000 0.782 134 S HN 1.110 nan 8.310 nan 0.000 0.520 135 T N -1.378 113.111 114.554 -0.109 0.000 2.841 135 T HA 0.618 4.967 4.350 -0.001 0.000 0.296 135 T C -0.946 173.697 174.700 -0.095 0.000 1.166 135 T CA -0.750 61.275 62.100 -0.126 0.000 1.007 135 T CB 0.660 69.561 68.868 0.056 0.000 1.253 135 T HN -0.089 nan 8.240 nan 0.000 0.511 136 F N 3.122 123.159 119.950 0.144 0.000 2.652 136 F HA 0.381 4.907 4.527 -0.001 0.000 0.352 136 F C 0.415 176.276 175.800 0.102 0.000 1.259 136 F CA -1.662 56.385 58.000 0.079 0.000 1.249 136 F CB -1.024 37.989 39.000 0.022 0.000 1.628 136 F HN 0.540 nan 8.300 nan 0.000 0.654 137 F N -0.764 119.291 119.950 0.175 0.000 2.375 137 F HA 0.606 5.132 4.527 -0.001 0.000 0.313 137 F C -0.038 175.836 175.800 0.124 0.000 1.176 137 F CA -1.840 56.240 58.000 0.133 0.000 1.142 137 F CB -0.204 38.865 39.000 0.115 0.000 1.275 137 F HN -0.163 nan 8.300 nan 0.000 0.544 138 V N 2.851 122.893 119.914 0.214 0.000 2.458 138 V HA 0.174 4.293 4.120 -0.001 0.000 0.287 138 V C 0.174 176.279 176.094 0.019 0.000 1.009 138 V CA 0.193 62.544 62.300 0.084 0.000 1.091 138 V CB -0.736 31.161 31.823 0.124 0.000 0.960 138 V HN 0.708 nan 8.190 nan 0.000 0.476 139 R N 3.967 124.389 120.500 -0.130 0.000 2.750 139 R HA 0.467 4.806 4.340 -0.001 0.000 0.281 139 R C 0.280 176.547 176.300 -0.055 0.000 0.972 139 R CA -0.898 55.115 56.100 -0.145 0.000 0.912 139 R CB 1.179 31.297 30.300 -0.304 0.000 1.187 139 R HN 0.727 nan 8.270 nan 0.000 0.464 140 N N 1.163 119.851 118.700 -0.020 0.000 2.716 140 N HA -0.225 4.514 4.740 -0.001 0.000 0.250 140 N C 0.510 176.017 175.510 -0.007 0.000 1.033 140 N CA 1.566 54.608 53.050 -0.012 0.000 0.727 140 N CB -1.004 37.471 38.487 -0.021 0.000 0.950 140 N HN 1.088 nan 8.380 nan 0.000 0.541 141 G N -2.048 106.754 108.800 0.003 0.000 2.199 141 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.254 141 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.254 141 G C 0.293 175.197 174.900 0.007 0.000 0.982 141 G CA 0.842 45.947 45.100 0.008 0.000 0.632 141 G HN 1.301 nan 8.290 nan 0.000 0.529 142 S N -0.266 115.432 115.700 -0.003 0.000 2.589 142 S HA 0.463 4.932 4.470 -0.001 0.000 0.265 142 S C 0.115 174.714 174.600 -0.001 0.000 1.342 142 S CA 0.326 58.521 58.200 -0.008 0.000 1.005 142 S CB 1.603 64.790 63.200 -0.023 0.000 0.909 142 S HN 0.728 nan 8.310 nan 0.000 0.555 143 N N 1.798 120.490 118.700 -0.013 0.000 2.546 143 N HA 0.372 5.111 4.740 -0.001 0.000 0.238 143 N C -1.693 173.809 175.510 -0.013 0.000 0.984 143 N CA -2.530 50.506 53.050 -0.023 0.000 0.935 143 N CB 1.321 39.769 38.487 -0.065 0.000 1.122 143 N HN 0.384 nan 8.380 nan 0.000 0.510 144 P HA -0.058 nan 4.420 nan 0.000 0.230 144 P C 0.288 177.614 177.300 0.043 0.000 1.158 144 P CA 0.852 63.974 63.100 0.036 0.000 0.769 144 P CB 0.590 32.327 31.700 0.061 0.000 0.807 145 E N -0.075 120.139 120.200 0.022 0.000 2.274 145 E HA -0.104 4.246 4.350 -0.001 0.000 0.194 145 E C 0.944 177.548 176.600 0.008 0.000 0.996 145 E CA 0.542 56.972 56.400 0.050 0.000 0.840 145 E CB -0.163 29.524 29.700 -0.021 0.000 0.772 145 E HN 0.289 nan 8.360 nan 0.000 0.491 146 Q N 2.425 122.192 119.800 -0.055 0.000 2.307 146 Q HA -0.003 4.336 4.340 -0.001 0.000 0.261 146 Q C -0.759 175.243 176.000 0.003 0.000 1.051 146 Q CA -0.062 55.706 55.803 -0.059 0.000 0.911 146 Q CB 0.543 29.239 28.738 -0.070 0.000 1.227 146 Q HN -0.174 nan 8.270 nan 0.000 0.418 147 D N 6.217 126.638 120.400 0.034 0.000 2.389 147 D HA 0.014 4.654 4.640 -0.001 0.000 0.263 147 D C -1.701 174.610 176.300 0.019 0.000 1.255 147 D CA -1.759 52.263 54.000 0.037 0.000 0.914 147 D CB 1.229 42.065 40.800 0.061 0.000 1.116 147 D HN 0.423 nan 8.370 nan 0.000 0.502 148 P HA -0.105 nan 4.420 nan 0.000 0.219 148 P C 1.224 178.520 177.300 -0.006 0.000 1.146 148 P CA 0.882 63.975 63.100 -0.011 0.000 0.808 148 P CB 0.233 31.916 31.700 -0.028 0.000 0.779 149 L N -1.642 119.582 121.223 0.001 0.000 2.607 149 L HA 0.194 4.534 4.340 -0.001 0.000 0.228 149 L C 1.302 178.179 176.870 0.011 0.000 1.123 149 L CA 0.235 55.076 54.840 0.001 0.000 0.890 149 L CB -0.079 41.979 42.059 -0.002 0.000 1.103 149 L HN -0.153 nan 8.230 nan 0.000 0.468 150 R N -0.272 120.243 120.500 0.025 0.000 2.698 150 R HA 0.197 4.536 4.340 -0.001 0.000 0.422 150 R C -0.358 175.986 176.300 0.073 0.000 1.073 150 R CA -0.272 55.854 56.100 0.044 0.000 1.054 150 R CB 0.346 30.675 30.300 0.048 0.000 1.373 150 R HN 0.039 nan 8.270 nan 0.000 0.593 151 N N 0.556 119.274 118.700 0.029 0.000 2.483 151 N HA 0.356 5.095 4.740 -0.001 0.000 0.285 151 N C -0.684 174.717 175.510 -0.182 0.000 1.210 151 N CA -0.601 52.446 53.050 -0.005 0.000 0.931 151 N CB 1.148 39.634 38.487 -0.002 0.000 1.220 151 N HN 0.075 nan 8.380 nan 0.000 0.542 152 L N 2.155 123.093 121.223 -0.475 0.000 2.494 152 L HA 0.215 4.554 4.340 -0.001 0.000 0.251 152 L C 1.319 177.955 176.870 -0.392 0.000 1.119 152 L CA -0.283 54.143 54.840 -0.690 0.000 1.026 152 L CB 0.438 41.690 42.059 -1.345 0.000 1.370 152 L HN 0.647 nan 8.230 nan 0.000 0.426 153 S N -0.390 115.193 115.700 -0.195 0.000 2.423 153 S HA -0.100 4.369 4.470 -0.001 0.000 0.231 153 S C 1.756 176.309 174.600 -0.077 0.000 1.014 153 S CA 0.883 59.029 58.200 -0.091 0.000 0.965 153 S CB -0.125 63.041 63.200 -0.057 0.000 0.785 153 S HN 0.631 nan 8.310 nan 0.000 0.495 154 G N 0.493 109.228 108.800 -0.109 0.000 2.920 154 G HA2 0.091 4.050 3.960 -0.001 0.000 0.208 154 G HA3 0.091 4.050 3.960 -0.001 0.000 0.208 154 G C 0.495 175.366 174.900 -0.049 0.000 1.159 154 G CA -0.310 44.750 45.100 -0.066 0.000 0.784 154 G HN 0.338 nan 8.290 nan 0.000 0.535 155 Q N 0.743 120.482 119.800 -0.102 0.000 2.289 155 Q HA 0.504 4.844 4.340 -0.001 0.000 0.273 155 Q C -0.032 176.014 176.000 0.075 0.000 1.029 155 Q CA 0.202 55.985 55.803 -0.033 0.000 0.896 155 Q CB 1.306 29.978 28.738 -0.109 0.000 1.182 155 Q HN 0.302 nan 8.270 nan 0.000 0.385 156 A N 2.290 125.175 122.820 0.107 0.000 2.569 156 A HA 0.799 5.119 4.320 -0.001 0.000 0.290 156 A C -0.957 176.726 177.584 0.165 0.000 1.136 156 A CA -0.562 51.553 52.037 0.130 0.000 0.710 156 A CB 1.444 20.506 19.000 0.104 0.000 1.303 156 A HN 0.469 nan 8.150 nan 0.000 0.413 157 V N -2.385 117.638 119.914 0.182 0.000 2.914 157 V HA 0.901 5.021 4.120 -0.001 0.000 0.314 157 V C -0.429 175.766 176.094 0.169 0.000 1.084 157 V CA -0.514 61.907 62.300 0.203 0.000 0.963 157 V CB 1.578 33.577 31.823 0.293 0.000 1.025 157 V HN 0.821 nan 8.190 nan 0.000 0.432 158 T N 2.904 117.550 114.554 0.154 0.000 2.770 158 T HA 0.532 4.882 4.350 -0.001 0.000 0.283 158 T C -0.188 174.556 174.700 0.073 0.000 0.988 158 T CA -0.410 61.776 62.100 0.143 0.000 0.957 158 T CB 0.790 69.769 68.868 0.185 0.000 0.930 158 T HN 0.741 nan 8.240 nan 0.000 0.443 159 R N 2.914 123.447 120.500 0.056 0.000 2.471 159 R HA 0.585 4.924 4.340 -0.001 0.000 0.292 159 R C -0.517 175.798 176.300 0.025 0.000 1.192 159 R CA -0.538 55.564 56.100 0.003 0.000 1.257 159 R CB 0.473 30.752 30.300 -0.036 0.000 1.130 159 R HN 0.506 nan 8.270 nan 0.000 0.558 160 V N -1.821 118.104 119.914 0.018 0.000 3.216 160 V HA 0.443 4.562 4.120 -0.001 0.000 0.302 160 V C -0.106 175.993 176.094 0.008 0.000 1.286 160 V CA -1.198 61.117 62.300 0.024 0.000 1.048 160 V CB 1.795 33.644 31.823 0.044 0.000 1.081 160 V HN 0.112 nan 8.190 nan 0.000 0.442 161 V N 2.223 122.146 119.914 0.015 0.000 2.655 161 V HA 0.542 4.662 4.120 -0.001 0.000 0.300 161 V C 1.677 177.772 176.094 0.002 0.000 1.044 161 V CA 1.766 64.074 62.300 0.013 0.000 1.095 161 V CB 0.240 32.075 31.823 0.021 0.000 0.952 161 V HN 2.127 nan 8.190 nan 0.000 0.485 162 G N 3.195 111.990 108.800 -0.007 0.000 2.175 162 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.244 162 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.244 162 G C 0.994 175.840 174.900 -0.089 0.000 0.982 162 G CA 0.339 45.419 45.100 -0.034 0.000 0.641 162 G HN 2.077 nan 8.290 nan 0.000 0.527 163 G N 0.118 108.875 108.800 -0.072 0.000 2.627 163 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.312 163 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.312 163 G C 1.241 176.021 174.900 -0.200 0.000 1.299 163 G CA 1.439 46.484 45.100 -0.091 0.000 0.989 163 G HN 1.083 nan 8.290 nan 0.000 0.547 164 M N 1.581 121.053 119.600 -0.214 0.000 2.476 164 M HA -0.002 4.477 4.480 -0.001 0.000 0.262 164 M C 2.755 178.764 176.300 -0.485 0.000 1.079 164 M CA 1.670 56.758 55.300 -0.353 0.000 1.104 164 M CB -0.196 32.343 32.600 -0.101 0.000 1.409 164 M HN 0.709 nan 8.290 nan 0.000 0.467 165 S N -0.329 115.077 115.700 -0.489 0.000 2.547 165 S HA -0.087 4.383 4.470 -0.001 0.000 0.235 165 S C 1.703 176.090 174.600 -0.355 0.000 0.980 165 S CA 1.309 59.090 58.200 -0.700 0.000 0.941 165 S CB -0.984 61.851 63.200 -0.609 0.000 0.763 165 S HN 0.591 nan 8.310 nan 0.000 0.532 166 T N -0.608 113.714 114.554 -0.387 0.000 3.055 166 T HA 0.000 4.349 4.350 -0.001 0.000 0.265 166 T C 1.279 175.753 174.700 -0.377 0.000 1.111 166 T CA 0.871 62.785 62.100 -0.310 0.000 1.118 166 T CB -0.630 68.163 68.868 -0.124 0.000 0.909 166 T HN 0.890 nan 8.240 nan 0.000 0.501 167 H N -1.781 117.204 119.070 -0.141 0.000 3.297 167 H HA 0.217 4.773 4.556 -0.001 0.000 0.254 167 H C 0.398 175.895 175.328 0.283 0.000 1.192 167 H CA -1.190 54.917 56.048 0.098 0.000 1.058 167 H CB -0.759 29.117 29.762 0.190 0.000 1.777 167 H HN 0.498 nan 8.280 nan 0.000 0.696 168 W N 1.919 123.204 121.300 -0.023 0.000 1.979 168 W HA 0.513 5.173 4.660 -0.001 0.000 0.359 168 W C 0.371 176.924 176.519 0.057 0.000 1.354 168 W CA -0.252 57.138 57.345 0.075 0.000 1.359 168 W CB -0.116 29.367 29.460 0.039 0.000 1.248 168 W HN 0.007 nan 8.180 nan 0.000 0.641 169 A N 0.457 123.174 122.820 -0.172 0.000 2.308 169 A HA 0.313 4.632 4.320 -0.001 0.000 0.217 169 A C 1.271 178.430 177.584 -0.709 0.000 1.216 169 A CA 0.579 52.320 52.037 -0.492 0.000 0.864 169 A CB -0.894 17.948 19.000 -0.263 0.000 0.902 169 A HN 0.974 nan 8.150 nan 0.000 0.499 170 C N -2.052 116.443 119.300 -1.342 0.000 4.400 170 C HA -0.166 4.294 4.460 -0.001 0.000 0.275 170 C C 1.292 175.818 174.990 -0.773 0.000 1.391 170 C CA -0.335 57.652 59.018 -1.719 0.000 1.816 170 C CB -2.955 24.241 27.740 -0.907 0.000 1.404 170 C HN 1.127 nan 8.230 nan 0.000 0.754 171 A N 1.064 123.651 122.820 -0.389 0.000 2.451 171 A HA 0.531 4.851 4.320 -0.001 0.000 0.266 171 A C 0.851 178.382 177.584 -0.089 0.000 1.119 171 A CA 1.155 53.109 52.037 -0.138 0.000 0.786 171 A CB 0.182 19.181 19.000 -0.002 0.000 1.061 171 A HN 1.401 nan 8.150 nan 0.000 0.503 172 T N 1.281 115.794 114.554 -0.068 0.000 3.630 172 T HA 0.472 4.821 4.350 -0.001 0.000 0.238 172 T C -2.618 172.052 174.700 -0.049 0.000 1.195 172 T CA -1.377 60.715 62.100 -0.014 0.000 1.433 172 T CB 0.350 69.239 68.868 0.036 0.000 0.940 172 T HN 0.463 nan 8.240 nan 0.000 0.641 173 P HA 0.330 nan 4.420 nan 0.000 0.274 173 P C -0.206 176.959 177.300 -0.224 0.000 1.231 173 P CA -0.478 62.539 63.100 -0.139 0.000 0.790 173 P CB 1.044 32.639 31.700 -0.176 0.000 0.951 174 R N 1.089 121.369 120.500 -0.367 0.000 2.560 174 R HA 0.447 4.786 4.340 -0.001 0.000 0.270 174 R C 0.112 176.295 176.300 -0.196 0.000 1.074 174 R CA -0.532 55.138 56.100 -0.717 0.000 1.140 174 R CB 0.240 29.901 30.300 -1.066 0.000 1.073 174 R HN 0.363 nan 8.270 nan 0.000 0.527 175 F N 1.649 121.373 119.950 -0.376 0.000 2.384 175 F HA 0.086 4.613 4.527 -0.001 0.000 0.338 175 F C 1.002 176.615 175.800 -0.311 0.000 1.103 175 F CA -1.579 56.223 58.000 -0.331 0.000 1.157 175 F CB 0.335 39.124 39.000 -0.350 0.000 1.167 175 F HN 0.548 nan 8.300 nan 0.000 0.529 176 D N 1.892 122.227 120.400 -0.108 0.000 2.433 176 D HA 0.162 4.802 4.640 -0.001 0.000 0.255 176 D C 1.107 177.324 176.300 -0.138 0.000 1.226 176 D CA -0.482 53.453 54.000 -0.109 0.000 1.015 176 D CB 0.543 41.296 40.800 -0.078 0.000 1.091 176 D HN 0.427 nan 8.370 nan 0.000 0.527 177 R N -0.454 119.992 120.500 -0.090 0.000 2.096 177 R HA -0.167 4.172 4.340 -0.001 0.000 0.240 177 R C 2.078 178.331 176.300 -0.078 0.000 1.139 177 R CA 1.659 57.716 56.100 -0.072 0.000 0.952 177 R CB -0.182 30.111 30.300 -0.011 0.000 0.854 177 R HN 0.590 nan 8.270 nan 0.000 0.436 178 E N 0.272 120.425 120.200 -0.079 0.000 2.160 178 E HA -0.228 4.121 4.350 -0.001 0.000 0.195 178 E C 1.630 178.133 176.600 -0.161 0.000 0.991 178 E CA 1.210 57.569 56.400 -0.068 0.000 0.810 178 E CB 0.117 29.821 29.700 0.008 0.000 0.742 178 E HN 0.475 nan 8.360 nan 0.000 0.466 179 Q N -0.502 119.109 119.800 -0.316 0.000 2.319 179 Q HA 0.103 4.443 4.340 -0.001 0.000 0.202 179 Q C 0.507 176.408 176.000 -0.165 0.000 0.896 179 Q CA -0.043 55.508 55.803 -0.419 0.000 0.942 179 Q CB 0.670 28.868 28.738 -0.901 0.000 1.083 179 Q HN -0.067 nan 8.270 nan 0.000 0.510 180 R N 1.774 122.221 120.500 -0.088 0.000 2.637 180 R HA 0.335 4.674 4.340 -0.001 0.000 0.291 180 R C -2.607 173.707 176.300 0.023 0.000 0.963 180 R CA -2.154 53.903 56.100 -0.072 0.000 0.901 180 R CB 1.314 31.396 30.300 -0.365 0.000 1.160 180 R HN -0.127 nan 8.270 nan 0.000 0.457 181 P HA 0.062 nan 4.420 nan 0.000 0.274 181 P C -0.481 176.999 177.300 0.300 0.000 1.231 181 P CA -0.157 63.047 63.100 0.174 0.000 0.790 181 P CB 0.718 32.504 31.700 0.143 0.000 0.951 182 L N 2.555 123.915 121.223 0.227 0.000 2.453 182 L HA 0.062 4.402 4.340 -0.001 0.000 0.272 182 L C 1.701 178.720 176.870 0.249 0.000 1.182 182 L CA 0.064 55.097 54.840 0.322 0.000 0.858 182 L CB -0.043 42.257 42.059 0.401 0.000 1.120 182 L HN 0.375 nan 8.230 nan 0.000 0.474 183 L N 3.417 124.803 121.223 0.271 0.000 2.672 183 L HA 0.219 4.558 4.340 -0.001 0.000 0.236 183 L C -0.341 176.687 176.870 0.263 0.000 1.092 183 L CA 0.089 54.992 54.840 0.105 0.000 0.887 183 L CB 0.751 42.663 42.059 -0.244 0.000 1.168 183 L HN 0.322 nan 8.230 nan 0.000 0.502 184 V N 0.684 120.766 119.914 0.279 0.000 2.524 184 V HA 0.240 4.359 4.120 -0.001 0.000 0.297 184 V C -0.309 175.858 176.094 0.122 0.000 1.035 184 V CA -1.146 61.249 62.300 0.159 0.000 0.867 184 V CB 1.670 33.540 31.823 0.077 0.000 1.004 184 V HN 0.128 nan 8.190 nan 0.000 0.426 185 K N 2.360 122.700 120.400 -0.099 0.000 2.276 185 K HA 0.175 4.495 4.320 -0.001 0.000 0.259 185 K C 0.494 177.059 176.600 -0.057 0.000 1.001 185 K CA -0.305 55.890 56.287 -0.154 0.000 0.927 185 K CB 0.229 32.487 32.500 -0.404 0.000 0.969 185 K HN 0.670 nan 8.250 nan 0.000 0.490 186 D N 1.368 121.754 120.400 -0.024 0.000 2.814 186 D HA -0.212 4.427 4.640 -0.001 0.000 0.225 186 D C -0.721 175.583 176.300 0.007 0.000 1.170 186 D CA 1.435 55.432 54.000 -0.005 0.000 0.638 186 D CB -0.492 40.295 40.800 -0.021 0.000 1.050 186 D HN 0.505 nan 8.370 nan 0.000 0.418 187 D N -1.610 118.805 120.400 0.024 0.000 2.470 187 D HA 0.434 5.074 4.640 -0.001 0.000 0.233 187 D C 0.409 176.742 176.300 0.056 0.000 1.372 187 D CA -0.120 53.898 54.000 0.031 0.000 0.994 187 D CB 1.171 41.983 40.800 0.020 0.000 1.377 187 D HN -0.058 nan 8.370 nan 0.000 0.586 188 A N 3.295 126.150 122.820 0.058 0.000 1.878 188 A HA -0.014 4.306 4.320 -0.001 0.000 0.213 188 A C 1.610 179.242 177.584 0.080 0.000 1.192 188 A CA 0.861 52.944 52.037 0.076 0.000 0.619 188 A CB -0.110 18.929 19.000 0.064 0.000 0.837 188 A HN 0.517 nan 8.150 nan 0.000 0.446 189 D N 0.647 121.083 120.400 0.061 0.000 2.133 189 D HA -0.194 4.445 4.640 -0.001 0.000 0.192 189 D C 2.154 178.492 176.300 0.064 0.000 1.001 189 D CA 1.861 55.896 54.000 0.058 0.000 0.844 189 D CB -0.416 40.409 40.800 0.042 0.000 0.944 189 D HN 0.423 nan 8.370 nan 0.000 0.447 190 A N 0.572 123.426 122.820 0.056 0.000 1.898 190 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 190 A C 1.990 179.616 177.584 0.069 0.000 1.181 190 A CA 2.035 54.101 52.037 0.049 0.000 0.620 190 A CB -0.642 18.378 19.000 0.034 0.000 0.819 190 A HN 0.225 nan 8.150 nan 0.000 0.442 191 D N -0.368 120.095 120.400 0.105 0.000 2.117 191 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 191 D C 1.251 177.698 176.300 0.246 0.000 0.987 191 D CA 1.541 55.642 54.000 0.167 0.000 0.829 191 D CB -0.118 40.812 40.800 0.216 0.000 0.961 191 D HN 0.337 nan 8.370 nan 0.000 0.460 192 D N -0.478 120.044 120.400 0.203 0.000 2.144 192 D HA -0.052 4.587 4.640 -0.001 0.000 0.200 192 D C 1.960 178.372 176.300 0.187 0.000 0.978 192 D CA 1.325 55.453 54.000 0.215 0.000 0.833 192 D CB -0.438 40.444 40.800 0.137 0.000 0.961 192 D HN 0.322 nan 8.370 nan 0.000 0.470 193 A N 0.556 123.445 122.820 0.115 0.000 1.929 193 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 193 A C 2.096 179.711 177.584 0.051 0.000 1.176 193 A CA 1.507 53.590 52.037 0.078 0.000 0.628 193 A CB -0.373 18.655 19.000 0.046 0.000 0.816 193 A HN 0.088 nan 8.150 nan 0.000 0.444 194 E N -0.642 119.566 120.200 0.014 0.000 2.077 194 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 194 E C 1.638 178.156 176.600 -0.136 0.000 0.989 194 E CA 1.487 57.825 56.400 -0.102 0.000 0.800 194 E CB -0.451 29.141 29.700 -0.179 0.000 0.746 194 E HN 0.733 nan 8.360 nan 0.000 0.452 195 W N 0.513 121.787 121.300 -0.043 0.000 2.388 195 W HA -0.072 4.588 4.660 -0.001 0.000 0.294 195 W C 2.098 178.621 176.519 0.006 0.000 1.212 195 W CA 1.192 58.478 57.345 -0.097 0.000 1.271 195 W CB -0.237 29.209 29.460 -0.022 0.000 1.126 195 W HN 0.227 nan 8.180 nan 0.000 0.535 196 D N -0.075 120.500 120.400 0.291 0.000 2.117 196 D HA -0.203 4.437 4.640 -0.001 0.000 0.198 196 D C 2.180 178.563 176.300 0.138 0.000 0.982 196 D CA 1.382 55.523 54.000 0.235 0.000 0.828 196 D CB -0.136 40.756 40.800 0.155 0.000 0.967 196 D HN -0.040 nan 8.370 nan 0.000 0.464 197 R N -0.113 120.421 120.500 0.057 0.000 2.073 197 R HA -0.088 4.252 4.340 -0.001 0.000 0.234 197 R C 2.387 178.660 176.300 -0.044 0.000 1.134 197 R CA 1.170 57.267 56.100 -0.005 0.000 0.952 197 R CB -0.367 29.911 30.300 -0.036 0.000 0.850 197 R HN 0.258 nan 8.270 nan 0.000 0.433 198 L N -0.342 120.821 121.223 -0.101 0.000 2.017 198 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 198 L C 2.428 179.248 176.870 -0.083 0.000 1.073 198 L CA 1.280 56.013 54.840 -0.179 0.000 0.745 198 L CB -0.650 41.196 42.059 -0.355 0.000 0.894 198 L HN 0.214 nan 8.230 nan 0.000 0.432 199 Y N 0.379 120.693 120.300 0.023 0.000 2.224 199 Y HA -0.223 4.327 4.550 -0.001 0.000 0.289 199 Y C 2.882 178.763 175.900 -0.031 0.000 1.146 199 Y CA 1.485 59.599 58.100 0.023 0.000 1.182 199 Y CB -1.106 37.398 38.460 0.074 0.000 0.983 199 Y HN 0.143 nan 8.280 nan 0.000 0.524 200 T N -0.417 114.216 114.554 0.130 0.000 2.746 200 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 200 T C 1.981 176.649 174.700 -0.053 0.000 1.039 200 T CA 1.708 63.831 62.100 0.039 0.000 1.142 200 T CB -0.175 68.711 68.868 0.029 0.000 0.866 200 T HN 0.200 nan 8.240 nan 0.000 0.444 201 K N 0.747 121.061 120.400 -0.143 0.000 2.057 201 K HA 0.022 4.342 4.320 -0.001 0.000 0.206 201 K C 2.501 178.762 176.600 -0.565 0.000 1.050 201 K CA 1.064 57.137 56.287 -0.358 0.000 0.935 201 K CB -0.271 31.980 32.500 -0.416 0.000 0.715 201 K HN 0.275 nan 8.250 nan 0.000 0.439 202 A N 1.169 123.784 122.820 -0.341 0.000 1.902 202 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 202 A C 1.820 179.395 177.584 -0.016 0.000 1.181 202 A CA 1.735 53.631 52.037 -0.236 0.000 0.623 202 A CB -0.488 18.493 19.000 -0.031 0.000 0.818 202 A HN 0.416 nan 8.150 nan 0.000 0.443 203 E N 0.195 120.432 120.200 0.062 0.000 2.118 203 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 203 E C 2.353 179.028 176.600 0.125 0.000 0.992 203 E CA 1.593 58.072 56.400 0.132 0.000 0.804 203 E CB -0.181 29.570 29.700 0.085 0.000 0.741 203 E HN 0.822 nan 8.360 nan 0.000 0.458 204 S N -0.124 115.600 115.700 0.040 0.000 2.406 204 S HA -0.144 4.326 4.470 -0.001 0.000 0.228 204 S C 1.867 176.609 174.600 0.237 0.000 1.020 204 S CA 0.576 58.835 58.200 0.097 0.000 0.965 204 S CB -0.340 62.895 63.200 0.059 0.000 0.798 204 S HN 0.199 nan 8.310 nan 0.000 0.488 205 Y N 0.550 120.873 120.300 0.039 0.000 2.200 205 Y HA 0.187 4.737 4.550 -0.001 0.000 0.290 205 Y C 2.025 177.981 175.900 0.092 0.000 1.137 205 Y CA -0.273 57.824 58.100 -0.004 0.000 1.163 205 Y CB -1.059 37.319 38.460 -0.136 0.000 0.988 205 Y HN 0.295 nan 8.280 nan 0.000 0.518 206 F N 0.262 120.369 119.950 0.261 0.000 2.615 206 F HA 0.001 4.528 4.527 -0.001 0.000 0.297 206 F C 0.904 176.814 175.800 0.183 0.000 1.124 206 F CA 0.426 58.568 58.000 0.236 0.000 1.451 206 F CB -0.245 38.911 39.000 0.260 0.000 1.103 206 F HN 0.016 nan 8.300 nan 0.000 0.569 207 Q N 0.266 120.253 119.800 0.312 0.000 2.493 207 Q HA -0.186 4.154 4.340 -0.001 0.000 0.278 207 Q C 0.124 176.205 176.000 0.135 0.000 1.216 207 Q CA 0.762 56.672 55.803 0.179 0.000 0.875 207 Q CB -2.744 26.077 28.738 0.138 0.000 1.262 207 Q HN 0.219 nan 8.270 nan 0.000 0.468 208 T N 0.141 114.793 114.554 0.162 0.000 2.934 208 T HA 0.389 4.738 4.350 -0.001 0.000 0.306 208 T C 0.781 175.513 174.700 0.054 0.000 1.042 208 T CA 0.753 62.913 62.100 0.100 0.000 1.145 208 T CB 1.089 70.028 68.868 0.117 0.000 0.982 208 T HN 0.479 nan 8.240 nan 0.000 0.544 209 G N 0.766 109.581 108.800 0.026 0.000 2.708 209 G HA2 0.554 4.513 3.960 -0.001 0.000 0.289 209 G HA3 0.554 4.513 3.960 -0.001 0.000 0.289 209 G C 0.154 175.065 174.900 0.019 0.000 1.416 209 G CA -0.452 44.656 45.100 0.014 0.000 0.829 209 G HN 0.621 nan 8.290 nan 0.000 0.480 210 T N -2.532 112.034 114.554 0.020 0.000 3.252 210 T HA 0.244 4.593 4.350 -0.001 0.000 0.286 210 T C 0.241 174.960 174.700 0.032 0.000 1.013 210 T CA 0.586 62.709 62.100 0.039 0.000 0.914 210 T CB 0.375 69.272 68.868 0.049 0.000 1.131 210 T HN 0.464 nan 8.240 nan 0.000 0.529 211 D N 0.561 120.957 120.400 -0.006 0.000 2.449 211 D HA 0.041 4.680 4.640 -0.001 0.000 0.210 211 D C 1.460 177.693 176.300 -0.112 0.000 1.094 211 D CA 0.043 54.020 54.000 -0.039 0.000 0.846 211 D CB -0.106 40.666 40.800 -0.048 0.000 1.003 211 D HN 0.304 nan 8.370 nan 0.000 0.504 212 Q N -0.427 119.289 119.800 -0.140 0.000 2.369 212 Q HA 0.141 4.480 4.340 -0.001 0.000 0.206 212 Q C 0.249 175.830 176.000 -0.698 0.000 0.963 212 Q CA 0.805 56.386 55.803 -0.371 0.000 0.894 212 Q CB -0.234 28.262 28.738 -0.404 0.000 0.965 212 Q HN 0.286 nan 8.270 nan 0.000 0.475 213 F N 0.101 119.887 119.950 -0.275 0.000 2.735 213 F HA 0.225 4.751 4.527 -0.001 0.000 0.304 213 F C 1.287 176.909 175.800 -0.297 0.000 1.119 213 F CA -0.525 57.271 58.000 -0.339 0.000 1.280 213 F CB 0.411 39.107 39.000 -0.506 0.000 0.994 213 F HN -0.011 nan 8.300 nan 0.000 0.520 214 K N 0.397 120.719 120.400 -0.130 0.000 2.283 214 K HA -0.054 4.266 4.320 -0.001 0.000 0.202 214 K C 0.417 176.921 176.600 -0.160 0.000 1.048 214 K CA 1.432 57.702 56.287 -0.028 0.000 0.948 214 K CB -0.078 32.394 32.500 -0.046 0.000 0.742 214 K HN 0.335 nan 8.250 nan 0.000 0.458 215 E N 1.852 121.816 120.200 -0.393 0.000 2.496 215 E HA 0.043 4.393 4.350 -0.001 0.000 0.200 215 E C -0.610 175.740 176.600 -0.416 0.000 1.016 215 E CA -0.199 55.671 56.400 -0.883 0.000 0.962 215 E CB 0.875 29.976 29.700 -0.998 0.000 1.071 215 E HN 0.177 nan 8.360 nan 0.000 0.457 216 S N 0.786 116.480 115.700 -0.010 0.000 2.489 216 S HA 0.225 4.694 4.470 -0.001 0.000 0.277 216 S C 1.163 175.905 174.600 0.236 0.000 1.230 216 S CA -0.507 57.771 58.200 0.131 0.000 1.053 216 S CB 0.593 63.937 63.200 0.240 0.000 0.955 216 S HN 0.184 nan 8.310 nan 0.000 0.488 217 I N 4.831 125.409 120.570 0.014 0.000 2.226 217 I HA -0.152 4.018 4.170 -0.001 0.000 0.245 217 I C 2.715 178.648 176.117 -0.307 0.000 1.100 217 I CA 1.159 62.164 61.300 -0.491 0.000 1.374 217 I CB -0.147 37.313 38.000 -0.900 0.000 1.057 217 I HN 0.700 nan 8.210 nan 0.000 0.413 218 R N -0.610 119.815 120.500 -0.124 0.000 2.075 218 R HA -0.218 4.122 4.340 -0.001 0.000 0.232 218 R C 2.373 178.696 176.300 0.038 0.000 1.126 218 R CA 1.686 57.754 56.100 -0.053 0.000 0.963 218 R CB -0.610 29.676 30.300 -0.024 0.000 0.858 218 R HN 0.429 nan 8.270 nan 0.000 0.435 219 H N 1.077 120.169 119.070 0.036 0.000 2.321 219 H HA -0.033 4.523 4.556 -0.001 0.000 0.300 219 H C 1.751 177.152 175.328 0.122 0.000 1.087 219 H CA 1.818 57.909 56.048 0.072 0.000 1.319 219 H CB -0.072 29.768 29.762 0.129 0.000 1.379 219 H HN 0.105 nan 8.280 nan 0.000 0.501 220 N N 0.029 118.814 118.700 0.142 0.000 2.270 220 N HA -0.111 4.628 4.740 -0.001 0.000 0.181 220 N C 2.006 177.652 175.510 0.226 0.000 1.016 220 N CA 0.930 54.109 53.050 0.216 0.000 0.870 220 N CB -0.145 38.673 38.487 0.551 0.000 0.979 220 N HN 0.325 nan 8.380 nan 0.000 0.431 221 L N 1.257 122.623 121.223 0.239 0.000 2.017 221 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 221 L C 2.091 179.014 176.870 0.089 0.000 1.073 221 L CA 1.401 56.391 54.840 0.251 0.000 0.745 221 L CB -0.545 41.616 42.059 0.171 0.000 0.894 221 L HN -0.134 nan 8.230 nan 0.000 0.432 222 V N -0.695 119.220 119.914 0.001 0.000 2.379 222 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 222 V C 2.444 178.462 176.094 -0.126 0.000 1.044 222 V CA 1.502 63.772 62.300 -0.051 0.000 1.036 222 V CB -0.665 31.105 31.823 -0.088 0.000 0.664 222 V HN 0.503 nan 8.190 nan 0.000 0.453 223 L N 1.265 122.377 121.223 -0.185 0.000 1.990 223 L HA -0.203 4.136 4.340 -0.001 0.000 0.213 223 L C 2.251 179.055 176.870 -0.110 0.000 1.072 223 L CA 2.223 56.949 54.840 -0.190 0.000 0.755 223 L CB -0.901 41.004 42.059 -0.257 0.000 0.889 223 L HN 0.338 nan 8.230 nan 0.000 0.432 224 N N -0.332 118.352 118.700 -0.027 0.000 2.188 224 N HA -0.190 4.550 4.740 -0.001 0.000 0.184 224 N C 1.807 177.302 175.510 -0.025 0.000 1.018 224 N CA 1.197 54.246 53.050 -0.001 0.000 0.858 224 N CB -0.381 38.128 38.487 0.037 0.000 0.989 224 N HN 0.279 nan 8.380 nan 0.000 0.426 225 K N 1.485 121.871 120.400 -0.023 0.000 2.032 225 K HA 0.036 4.356 4.320 -0.001 0.000 0.209 225 K C 1.915 178.475 176.600 -0.067 0.000 1.048 225 K CA 0.962 57.235 56.287 -0.025 0.000 0.927 225 K CB -0.472 32.032 32.500 0.006 0.000 0.712 225 K HN 0.136 nan 8.250 nan 0.000 0.441 226 L N -0.104 121.008 121.223 -0.185 0.000 2.056 226 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 226 L C 2.262 178.961 176.870 -0.285 0.000 1.078 226 L CA 1.636 56.249 54.840 -0.378 0.000 0.749 226 L CB -0.786 40.647 42.059 -1.043 0.000 0.901 226 L HN 0.236 nan 8.230 nan 0.000 0.433 227 T N -0.691 113.733 114.554 -0.215 0.000 2.665 227 T HA -0.297 4.053 4.350 -0.001 0.000 0.268 227 T C 1.775 176.535 174.700 0.100 0.000 1.035 227 T CA 1.949 64.086 62.100 0.062 0.000 1.151 227 T CB -0.175 68.734 68.868 0.069 0.000 0.862 227 T HN 0.410 nan 8.240 nan 0.000 0.438 228 E N 0.554 120.774 120.200 0.034 0.000 2.072 228 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 228 E C 2.095 178.710 176.600 0.025 0.000 0.985 228 E CA 0.906 57.322 56.400 0.027 0.000 0.801 228 E CB 0.038 29.736 29.700 -0.004 0.000 0.750 228 E HN 0.406 nan 8.360 nan 0.000 0.452 229 E N -0.491 119.717 120.200 0.012 0.000 2.338 229 E HA -0.158 4.191 4.350 -0.001 0.000 0.197 229 E C 0.502 176.983 176.600 -0.198 0.000 1.007 229 E CA 0.815 57.159 56.400 -0.094 0.000 0.849 229 E CB 0.073 29.695 29.700 -0.131 0.000 0.774 229 E HN 0.480 nan 8.360 nan 0.000 0.506 230 Y N 0.291 120.640 120.300 0.081 0.000 2.720 230 Y HA 0.199 4.748 4.550 -0.001 0.000 0.268 230 Y C 0.433 176.404 175.900 0.119 0.000 1.142 230 Y CA -0.581 57.604 58.100 0.141 0.000 1.193 230 Y CB 0.453 39.099 38.460 0.311 0.000 1.176 230 Y HN -0.242 nan 8.280 nan 0.000 0.542 231 K N 0.354 120.853 120.400 0.165 0.000 2.484 231 K HA 0.278 4.598 4.320 -0.001 0.000 0.280 231 K C 1.375 178.037 176.600 0.104 0.000 1.013 231 K CA 1.441 57.803 56.287 0.125 0.000 1.029 231 K CB 0.061 32.604 32.500 0.070 0.000 0.902 231 K HN 0.512 nan 8.250 nan 0.000 0.481 232 G N 2.720 111.580 108.800 0.101 0.000 2.184 232 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.264 232 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.264 232 G C 0.629 175.585 174.900 0.093 0.000 0.975 232 G CA 0.876 46.024 45.100 0.080 0.000 0.642 232 G HN 0.713 nan 8.290 nan 0.000 0.536 233 Q N -1.423 118.459 119.800 0.137 0.000 2.532 233 Q HA 0.270 4.610 4.340 -0.001 0.000 0.247 233 Q C 1.112 177.192 176.000 0.134 0.000 0.872 233 Q CA 0.106 55.997 55.803 0.146 0.000 0.963 233 Q CB 1.061 29.920 28.738 0.201 0.000 1.159 233 Q HN 0.432 nan 8.270 nan 0.000 0.598 234 R N 0.870 121.461 120.500 0.152 0.000 2.651 234 R HA 0.360 4.700 4.340 -0.001 0.000 0.278 234 R C -1.584 174.713 176.300 -0.005 0.000 1.010 234 R CA -0.551 55.526 56.100 -0.039 0.000 0.896 234 R CB 1.910 31.973 30.300 -0.395 0.000 1.211 234 R HN 0.017 nan 8.270 nan 0.000 0.456 235 D N 2.011 122.341 120.400 -0.116 0.000 2.163 235 D HA 0.400 5.039 4.640 -0.001 0.000 0.248 235 D C -0.645 175.533 176.300 -0.202 0.000 1.035 235 D CA 0.107 54.094 54.000 -0.021 0.000 0.872 235 D CB 1.381 42.183 40.800 0.004 0.000 1.183 235 D HN 0.141 nan 8.370 nan 0.000 0.445 236 F N 0.446 120.402 119.950 0.010 0.000 2.579 236 F HA 0.396 4.922 4.527 -0.001 0.000 0.324 236 F C 0.570 176.389 175.800 0.032 0.000 1.058 236 F CA -0.633 57.368 58.000 0.002 0.000 0.944 236 F CB 1.836 40.827 39.000 -0.015 0.000 1.245 236 F HN 0.220 nan 8.300 nan 0.000 0.477 237 Q N -0.383 119.549 119.800 0.220 0.000 2.737 237 Q HA 0.329 4.668 4.340 -0.001 0.000 0.307 237 Q C -1.597 174.528 176.000 0.208 0.000 0.905 237 Q CA -1.306 54.605 55.803 0.179 0.000 0.753 237 Q CB 1.779 30.590 28.738 0.121 0.000 1.463 237 Q HN 0.625 nan 8.270 nan 0.000 0.455 238 Q N 0.692 120.631 119.800 0.232 0.000 2.392 238 Q HA 0.265 4.604 4.340 -0.001 0.000 0.262 238 Q C -0.626 175.454 176.000 0.134 0.000 1.003 238 Q CA -0.247 55.701 55.803 0.242 0.000 0.888 238 Q CB 0.579 29.417 28.738 0.167 0.000 1.260 238 Q HN 0.570 nan 8.270 nan 0.000 0.435 239 I N 5.800 126.430 120.570 0.099 0.000 2.598 239 I HA 0.033 4.202 4.170 -0.001 0.000 0.284 239 I C -1.973 174.174 176.117 0.051 0.000 1.140 239 I CA -1.719 59.619 61.300 0.063 0.000 1.420 239 I CB 0.374 38.388 38.000 0.023 0.000 1.387 239 I HN 0.468 nan 8.210 nan 0.000 0.553 240 P HA 0.248 nan 4.420 nan 0.000 0.271 240 P C -0.945 176.358 177.300 0.006 0.000 1.226 240 P CA 0.075 63.189 63.100 0.023 0.000 0.765 240 P CB 0.503 32.205 31.700 0.003 0.000 0.835 241 L N 2.266 123.499 121.223 0.017 0.000 2.385 241 L HA 0.615 4.954 4.340 -0.001 0.000 0.273 241 L C 0.291 177.154 176.870 -0.012 0.000 0.990 241 L CA -1.212 53.632 54.840 0.007 0.000 0.821 241 L CB 2.150 44.286 42.059 0.127 0.000 1.279 241 L HN 0.251 nan 8.230 nan 0.000 0.412 242 A N 3.162 125.932 122.820 -0.084 0.000 2.544 242 A HA 0.732 5.052 4.320 -0.001 0.000 0.301 242 A C 0.087 177.681 177.584 0.018 0.000 1.368 242 A CA 0.209 52.232 52.037 -0.023 0.000 1.045 242 A CB -0.410 18.513 19.000 -0.128 0.000 1.129 242 A HN 0.811 nan 8.150 nan 0.000 0.540 243 A N 2.123 124.927 122.820 -0.027 0.000 2.590 243 A HA 0.692 5.011 4.320 -0.001 0.000 0.296 243 A C -0.492 176.963 177.584 -0.215 0.000 1.050 243 A CA -0.458 51.463 52.037 -0.194 0.000 0.697 243 A CB 0.704 19.428 19.000 -0.459 0.000 1.277 243 A HN 0.666 nan 8.150 nan 0.000 0.411 244 T N 1.637 116.030 114.554 -0.268 0.000 2.840 244 T HA 0.478 4.828 4.350 -0.001 0.000 0.287 244 T C -0.015 174.509 174.700 -0.294 0.000 0.991 244 T CA -0.392 61.579 62.100 -0.215 0.000 0.964 244 T CB 1.109 69.915 68.868 -0.105 0.000 0.954 244 T HN 0.712 nan 8.240 nan 0.000 0.438 245 R N 2.225 122.540 120.500 -0.308 0.000 2.389 245 R HA 0.261 4.601 4.340 -0.001 0.000 0.295 245 R C 0.718 176.916 176.300 -0.170 0.000 1.075 245 R CA -0.392 55.517 56.100 -0.318 0.000 1.005 245 R CB 0.391 30.469 30.300 -0.370 0.000 0.987 245 R HN 0.349 nan 8.270 nan 0.000 0.452 246 R N 0.922 121.373 120.500 -0.083 0.000 2.225 246 R HA 0.153 4.492 4.340 -0.001 0.000 0.194 246 R C 0.102 176.386 176.300 -0.028 0.000 0.957 246 R CA 0.647 56.741 56.100 -0.011 0.000 1.042 246 R CB 0.215 30.574 30.300 0.099 0.000 1.004 246 R HN 0.754 nan 8.270 nan 0.000 0.509 247 S N -1.566 114.117 115.700 -0.029 0.000 2.611 247 S HA 0.374 4.844 4.470 -0.001 0.000 0.268 247 S C -2.631 171.928 174.600 -0.067 0.000 1.156 247 S CA -1.043 57.136 58.200 -0.036 0.000 0.817 247 S CB 2.041 65.243 63.200 0.004 0.000 1.122 247 S HN -0.229 nan 8.310 nan 0.000 0.466 248 P HA 0.026 nan 4.420 nan 0.000 0.223 248 P C 1.076 178.342 177.300 -0.057 0.000 1.144 248 P CA 1.696 64.745 63.100 -0.084 0.000 0.783 248 P CB -0.226 31.443 31.700 -0.052 0.000 0.771 249 T N -6.641 107.913 114.554 -0.001 0.000 3.084 249 T HA 0.272 4.621 4.350 -0.001 0.000 0.270 249 T C -0.178 174.576 174.700 0.089 0.000 1.008 249 T CA -0.343 61.779 62.100 0.037 0.000 0.900 249 T CB -0.536 68.372 68.868 0.068 0.000 1.084 249 T HN -0.099 nan 8.240 nan 0.000 0.538 250 F N 1.610 121.497 119.950 -0.105 0.000 2.562 250 F HA 0.653 5.179 4.527 -0.001 0.000 0.319 250 F C -1.481 174.183 175.800 -0.227 0.000 1.154 250 F CA -1.137 56.794 58.000 -0.115 0.000 0.931 250 F CB 1.906 40.856 39.000 -0.084 0.000 1.198 250 F HN -0.137 nan 8.300 nan 0.000 0.444 251 V N 5.320 124.700 119.914 -0.890 0.000 2.459 251 V HA 0.273 4.392 4.120 -0.001 0.000 0.295 251 V C -0.295 175.125 176.094 -1.124 0.000 1.029 251 V CA -0.796 60.920 62.300 -0.974 0.000 0.874 251 V CB 1.684 32.725 31.823 -1.303 0.000 0.985 251 V HN 0.726 nan 8.190 nan 0.000 0.438 252 E N 4.690 124.523 120.200 -0.612 0.000 1.963 252 E HA 0.141 4.491 4.350 -0.001 0.000 0.274 252 E C -1.033 175.351 176.600 -0.361 0.000 1.061 252 E CA -0.590 55.639 56.400 -0.286 0.000 0.847 252 E CB 0.361 30.072 29.700 0.020 0.000 1.083 252 E HN 0.633 nan 8.360 nan 0.000 0.402 253 W N 2.845 124.006 121.300 -0.231 0.000 2.210 253 W HA 0.075 4.735 4.660 -0.001 0.000 0.330 253 W C 0.775 177.301 176.519 0.012 0.000 1.334 253 W CA -0.428 56.774 57.345 -0.239 0.000 1.227 253 W CB 0.730 29.811 29.460 -0.631 0.000 1.178 253 W HN 0.306 nan 8.180 nan 0.000 0.560 254 S N 1.705 117.585 115.700 0.299 0.000 2.600 254 S HA 0.530 4.999 4.470 -0.001 0.000 0.265 254 S C 0.183 175.207 174.600 0.706 0.000 1.325 254 S CA -0.425 58.026 58.200 0.418 0.000 1.002 254 S CB 1.000 64.437 63.200 0.395 0.000 0.921 254 S HN 0.516 nan 8.310 nan 0.000 0.554 255 S N -0.393 115.665 115.700 0.596 0.000 2.661 255 S HA 0.676 5.145 4.470 -0.001 0.000 0.268 255 S C 0.739 175.532 174.600 0.321 0.000 1.162 255 S CA -0.332 58.150 58.200 0.471 0.000 0.817 255 S CB 0.538 63.936 63.200 0.329 0.000 1.141 255 S HN 0.744 nan 8.310 nan 0.000 0.477 256 A N 1.782 124.685 122.820 0.140 0.000 1.915 256 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 256 A C 2.035 179.667 177.584 0.080 0.000 1.198 256 A CA 2.343 54.425 52.037 0.075 0.000 0.647 256 A CB -1.657 17.349 19.000 0.011 0.000 0.825 256 A HN 0.905 nan 8.150 nan 0.000 0.456 257 N N -0.728 118.021 118.700 0.081 0.000 2.205 257 N HA -0.160 4.580 4.740 -0.001 0.000 0.186 257 N C 1.536 177.070 175.510 0.039 0.000 1.015 257 N CA 2.041 55.114 53.050 0.039 0.000 0.862 257 N CB -0.233 38.288 38.487 0.057 0.000 0.986 257 N HN 0.507 nan 8.380 nan 0.000 0.429 258 T N 0.354 114.980 114.554 0.120 0.000 2.788 258 T HA -0.052 4.297 4.350 -0.001 0.000 0.268 258 T C 2.075 176.822 174.700 0.078 0.000 1.044 258 T CA 1.056 63.234 62.100 0.131 0.000 1.139 258 T CB -0.191 68.828 68.868 0.252 0.000 0.867 258 T HN 0.050 nan 8.240 nan 0.000 0.454 259 V N -0.398 119.555 119.914 0.064 0.000 2.379 259 V HA 0.148 4.267 4.120 -0.001 0.000 0.245 259 V C 0.481 176.548 176.094 -0.044 0.000 1.044 259 V CA 0.978 63.245 62.300 -0.055 0.000 1.036 259 V CB -0.339 31.407 31.823 -0.128 0.000 0.664 259 V HN 0.475 nan 8.190 nan 0.000 0.453 260 F N 0.941 120.777 119.950 -0.190 0.000 2.605 260 F HA 0.383 4.909 4.527 -0.001 0.000 0.320 260 F C 0.131 175.818 175.800 -0.188 0.000 1.159 260 F CA -1.744 56.112 58.000 -0.241 0.000 0.999 260 F CB 1.434 40.242 39.000 -0.320 0.000 1.258 260 F HN 0.151 nan 8.300 nan 0.000 0.464 261 D N 4.921 124.848 120.400 -0.789 0.000 2.363 261 D HA -0.018 4.622 4.640 -0.001 0.000 0.220 261 D C 1.188 177.206 176.300 -0.470 0.000 0.994 261 D CA 0.906 54.617 54.000 -0.483 0.000 0.890 261 D CB -0.050 40.522 40.800 -0.380 0.000 0.906 261 D HN 0.695 nan 8.370 nan 0.000 0.530 262 L N -1.756 119.003 121.223 -0.773 0.000 4.625 262 L HA -0.244 4.096 4.340 -0.001 0.000 0.428 262 L C -0.158 176.671 176.870 -0.069 0.000 1.129 262 L CA 0.498 55.170 54.840 -0.280 0.000 0.978 262 L CB -1.457 40.596 42.059 -0.011 0.000 2.043 262 L HN 0.218 nan 8.230 nan 0.000 0.847 263 Q N 0.987 120.654 119.800 -0.221 0.000 2.332 263 Q HA 0.203 4.543 4.340 -0.001 0.000 0.263 263 Q C 0.418 176.461 176.000 0.072 0.000 0.979 263 Q CA -0.035 55.722 55.803 -0.077 0.000 0.885 263 Q CB 0.580 29.242 28.738 -0.128 0.000 1.218 263 Q HN 0.139 nan 8.270 nan 0.000 0.405 264 N N 2.000 120.751 118.700 0.085 0.000 2.454 264 N HA 0.096 4.835 4.740 -0.001 0.000 0.254 264 N C -0.281 175.295 175.510 0.110 0.000 1.228 264 N CA 0.354 53.468 53.050 0.107 0.000 0.900 264 N CB 0.582 39.039 38.487 -0.051 0.000 1.089 264 N HN 0.283 nan 8.380 nan 0.000 0.449 265 R N 1.077 121.674 120.500 0.162 0.000 2.837 265 R HA 0.517 4.857 4.340 -0.001 0.000 0.271 265 R C -2.442 173.927 176.300 0.115 0.000 0.993 265 R CA -1.544 54.637 56.100 0.134 0.000 0.931 265 R CB 1.665 32.069 30.300 0.174 0.000 1.206 265 R HN 0.402 nan 8.270 nan 0.000 0.474 266 P HA 0.092 nan 4.420 nan 0.000 0.272 266 P C -1.337 176.015 177.300 0.087 0.000 1.223 266 P CA -0.180 63.009 63.100 0.149 0.000 0.784 266 P CB 0.699 32.537 31.700 0.230 0.000 0.923 267 N N -1.005 117.733 118.700 0.063 0.000 3.243 267 N HA 0.229 4.969 4.740 -0.001 0.000 0.280 267 N C 0.607 176.127 175.510 0.018 0.000 1.545 267 N CA -0.739 52.329 53.050 0.030 0.000 0.854 267 N CB -0.587 37.906 38.487 0.010 0.000 1.612 267 N HN 0.063 nan 8.380 nan 0.000 0.577 268 T N -0.857 113.699 114.554 0.004 0.000 2.720 268 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 268 T C 0.278 174.973 174.700 -0.007 0.000 1.037 268 T CA 1.573 63.671 62.100 -0.003 0.000 1.144 268 T CB -0.455 68.408 68.868 -0.008 0.000 0.864 268 T HN 0.510 nan 8.240 nan 0.000 0.444 269 D N 0.757 121.149 120.400 -0.013 0.000 2.340 269 D HA 0.267 4.907 4.640 -0.001 0.000 0.220 269 D C 0.512 176.806 176.300 -0.009 0.000 1.039 269 D CA 0.202 54.192 54.000 -0.017 0.000 0.866 269 D CB 0.293 41.075 40.800 -0.030 0.000 0.913 269 D HN 0.344 nan 8.370 nan 0.000 0.523 270 A N 1.205 124.028 122.820 0.005 0.000 3.300 270 A HA 0.344 4.664 4.320 -0.001 0.000 0.300 270 A C -2.171 175.444 177.584 0.053 0.000 1.099 270 A CA -0.798 51.254 52.037 0.026 0.000 0.846 270 A CB 0.961 19.979 19.000 0.029 0.000 1.255 270 A HN -0.179 nan 8.150 nan 0.000 0.519 271 P HA 0.002 nan 4.420 nan 0.000 0.231 271 P C 0.648 177.969 177.300 0.034 0.000 1.168 271 P CA 1.063 64.181 63.100 0.030 0.000 0.779 271 P CB 0.384 32.074 31.700 -0.017 0.000 0.844 272 E N -0.490 119.732 120.200 0.037 0.000 2.476 272 E HA 0.091 4.440 4.350 -0.001 0.000 0.196 272 E C 0.145 176.909 176.600 0.272 0.000 1.029 272 E CA -0.035 56.388 56.400 0.039 0.000 0.896 272 E CB 0.319 29.989 29.700 -0.051 0.000 1.012 272 E HN 0.455 nan 8.360 nan 0.000 0.475 273 E N 0.936 121.285 120.200 0.248 0.000 2.227 273 E HA 0.438 4.788 4.350 -0.001 0.000 0.268 273 E C -0.248 176.494 176.600 0.236 0.000 0.990 273 E CA -0.557 55.981 56.400 0.231 0.000 0.856 273 E CB 1.498 31.298 29.700 0.167 0.000 1.159 273 E HN -0.108 nan 8.360 nan 0.000 0.401 274 R N 1.807 122.410 120.500 0.171 0.000 2.468 274 R HA 0.395 4.734 4.340 -0.001 0.000 0.302 274 R C -1.598 174.819 176.300 0.196 0.000 1.041 274 R CA -0.481 55.676 56.100 0.096 0.000 0.899 274 R CB 0.863 31.116 30.300 -0.079 0.000 1.167 274 R HN 0.411 nan 8.270 nan 0.000 0.483 275 F N 2.152 122.115 119.950 0.023 0.000 2.588 275 F HA 0.444 4.971 4.527 -0.001 0.000 0.314 275 F C -1.614 174.141 175.800 -0.074 0.000 1.134 275 F CA -0.647 57.354 58.000 0.001 0.000 0.961 275 F CB 2.029 41.095 39.000 0.110 0.000 1.239 275 F HN 0.362 nan 8.300 nan 0.000 0.448 276 N N 4.681 122.767 118.700 -1.024 0.000 2.296 276 N HA 0.582 5.321 4.740 -0.001 0.000 0.294 276 N C -2.023 172.498 175.510 -1.648 0.000 1.033 276 N CA -0.690 51.679 53.050 -1.136 0.000 0.839 276 N CB 2.354 40.361 38.487 -0.801 0.000 1.395 276 N HN 0.570 nan 8.380 nan 0.000 0.479 277 L N 2.623 123.097 121.223 -1.248 0.000 2.282 277 L HA 0.626 4.965 4.340 -0.001 0.000 0.288 277 L C -1.667 174.668 176.870 -0.892 0.000 1.033 277 L CA -0.239 54.096 54.840 -0.842 0.000 0.807 277 L CB 0.075 41.980 42.059 -0.257 0.000 1.209 277 L HN 0.465 nan 8.230 nan 0.000 0.423 278 F N 6.492 126.171 119.950 -0.451 0.000 2.434 278 F HA 0.551 5.078 4.527 -0.001 0.000 0.367 278 F C -2.152 173.578 175.800 -0.116 0.000 1.093 278 F CA -1.945 55.887 58.000 -0.280 0.000 1.085 278 F CB 0.849 39.651 39.000 -0.330 0.000 1.322 278 F HN 0.422 nan 8.300 nan 0.000 0.452 279 P HA 0.352 nan 4.420 nan 0.000 0.278 279 P C -0.017 177.330 177.300 0.079 0.000 1.266 279 P CA -0.288 62.847 63.100 0.058 0.000 0.807 279 P CB 1.155 32.869 31.700 0.022 0.000 1.094 280 A N -1.119 121.733 122.820 0.052 0.000 2.822 280 A HA -0.104 4.215 4.320 -0.001 0.000 0.287 280 A C -0.034 177.577 177.584 0.044 0.000 1.479 280 A CA 0.792 52.853 52.037 0.041 0.000 0.779 280 A CB -2.460 16.565 19.000 0.042 0.000 1.022 280 A HN 0.255 nan 8.150 nan 0.000 0.532 281 V N -0.287 119.670 119.914 0.072 0.000 2.376 281 V HA 0.668 4.788 4.120 -0.001 0.000 0.287 281 V C 0.604 176.712 176.094 0.024 0.000 1.015 281 V CA -0.307 62.041 62.300 0.081 0.000 0.834 281 V CB 1.449 33.409 31.823 0.228 0.000 1.001 281 V HN 1.430 nan 8.190 nan 0.000 0.428 282 A N 4.244 127.054 122.820 -0.016 0.000 2.347 282 A HA 0.476 4.795 4.320 -0.001 0.000 0.287 282 A C 0.119 177.692 177.584 -0.017 0.000 1.199 282 A CA -0.175 51.834 52.037 -0.045 0.000 0.851 282 A CB -0.037 18.969 19.000 0.010 0.000 1.118 282 A HN 0.858 nan 8.150 nan 0.000 0.525 283 C N 2.589 121.855 119.300 -0.057 0.000 2.435 283 C HA 0.362 4.821 4.460 -0.001 0.000 0.375 283 C C 1.389 176.354 174.990 -0.041 0.000 1.281 283 C CA -0.208 58.765 59.018 -0.075 0.000 1.963 283 C CB -0.112 27.575 27.740 -0.089 0.000 2.490 283 C HN 1.026 nan 8.230 nan 0.000 0.557 284 E N 0.802 120.991 120.200 -0.019 0.000 2.364 284 E HA 0.131 4.481 4.350 -0.001 0.000 0.203 284 E C 0.006 176.589 176.600 -0.029 0.000 0.888 284 E CA 0.352 56.750 56.400 -0.003 0.000 0.989 284 E CB 0.495 30.214 29.700 0.032 0.000 0.985 284 E HN 0.673 nan 8.360 nan 0.000 0.499 285 R N 0.519 120.993 120.500 -0.043 0.000 2.634 285 R HA 0.316 4.655 4.340 -0.001 0.000 0.263 285 R C -0.891 175.320 176.300 -0.149 0.000 1.060 285 R CA -0.628 55.414 56.100 -0.096 0.000 0.898 285 R CB 1.385 31.610 30.300 -0.124 0.000 1.253 285 R HN -0.089 nan 8.270 nan 0.000 0.461 286 V N -0.766 119.049 119.914 -0.164 0.000 2.481 286 V HA 0.557 4.676 4.120 -0.001 0.000 0.286 286 V C 0.238 176.187 176.094 -0.241 0.000 1.042 286 V CA -0.837 61.320 62.300 -0.238 0.000 0.928 286 V CB 1.670 33.339 31.823 -0.257 0.000 0.986 286 V HN 0.471 nan 8.190 nan 0.000 0.462 287 V N 5.778 125.510 119.914 -0.304 0.000 2.432 287 V HA 0.425 4.544 4.120 -0.001 0.000 0.275 287 V C 0.704 176.709 176.094 -0.149 0.000 1.043 287 V CA -0.383 61.767 62.300 -0.250 0.000 0.925 287 V CB 0.919 32.575 31.823 -0.277 0.000 0.985 287 V HN 0.939 nan 8.190 nan 0.000 0.466 288 R N 3.892 124.335 120.500 -0.096 0.000 2.441 288 R HA 0.277 4.617 4.340 -0.001 0.000 0.284 288 R C 0.388 176.707 176.300 0.032 0.000 1.070 288 R CA -0.555 55.566 56.100 0.035 0.000 1.047 288 R CB 0.619 30.923 30.300 0.006 0.000 1.016 288 R HN 0.878 nan 8.270 nan 0.000 0.477 289 N N 1.639 120.388 118.700 0.082 0.000 2.288 289 N HA -0.024 4.716 4.740 -0.001 0.000 0.237 289 N C 0.559 176.074 175.510 0.007 0.000 1.311 289 N CA 0.225 53.295 53.050 0.032 0.000 0.909 289 N CB 0.399 38.908 38.487 0.036 0.000 1.167 289 N HN 0.560 nan 8.380 nan 0.000 0.476 290 A N 0.094 122.910 122.820 -0.006 0.000 1.972 290 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 290 A C 2.124 179.692 177.584 -0.028 0.000 1.169 290 A CA 0.840 52.867 52.037 -0.017 0.000 0.635 290 A CB -0.651 18.340 19.000 -0.015 0.000 0.810 290 A HN 0.651 nan 8.150 nan 0.000 0.446 291 L N -1.066 120.135 121.223 -0.037 0.000 2.554 291 L HA 0.002 4.341 4.340 -0.001 0.000 0.226 291 L C -0.016 176.788 176.870 -0.109 0.000 1.137 291 L CA 0.124 54.928 54.840 -0.061 0.000 0.863 291 L CB -0.486 41.536 42.059 -0.061 0.000 0.985 291 L HN 0.431 nan 8.230 nan 0.000 0.451 292 N N 0.444 119.078 118.700 -0.110 0.000 2.756 292 N HA -0.164 4.576 4.740 -0.001 0.000 0.248 292 N C 0.893 175.975 175.510 -0.714 0.000 1.062 292 N CA 1.038 53.963 53.050 -0.208 0.000 0.696 292 N CB -1.170 37.276 38.487 -0.069 0.000 0.946 292 N HN 0.528 nan 8.380 nan 0.000 0.548 293 S N -2.276 113.099 115.700 -0.540 0.000 2.687 293 S HA 0.266 4.735 4.470 -0.001 0.000 0.247 293 S C 0.232 174.639 174.600 -0.322 0.000 1.050 293 S CA -0.254 57.611 58.200 -0.558 0.000 1.063 293 S CB 1.630 64.685 63.200 -0.242 0.000 1.039 293 S HN 0.312 nan 8.310 nan 0.000 0.580 294 E N 0.425 120.590 120.200 -0.057 0.000 2.372 294 E HA 0.425 4.775 4.350 -0.001 0.000 0.279 294 E C -1.604 175.173 176.600 0.294 0.000 0.946 294 E CA -0.803 55.711 56.400 0.189 0.000 0.769 294 E CB 1.602 31.378 29.700 0.127 0.000 1.230 294 E HN 0.131 nan 8.360 nan 0.000 0.442 295 I N 3.023 123.730 120.570 0.228 0.000 2.396 295 I HA 0.136 4.305 4.170 -0.001 0.000 0.292 295 I C 0.844 176.898 176.117 -0.105 0.000 0.999 295 I CA 0.176 61.435 61.300 -0.068 0.000 1.310 295 I CB 1.281 39.042 38.000 -0.397 0.000 1.404 295 I HN 0.648 nan 8.210 nan 0.000 0.496 296 E N 2.860 122.979 120.200 -0.136 0.000 2.434 296 E HA 0.110 4.460 4.350 -0.001 0.000 0.207 296 E C 0.139 176.765 176.600 0.044 0.000 0.929 296 E CA 0.326 56.735 56.400 0.015 0.000 1.001 296 E CB 0.796 30.513 29.700 0.028 0.000 1.016 296 E HN 0.754 nan 8.360 nan 0.000 0.502 297 S N -0.752 114.879 115.700 -0.116 0.000 2.636 297 S HA 0.496 4.966 4.470 -0.001 0.000 0.266 297 S C -1.569 172.959 174.600 -0.119 0.000 1.147 297 S CA -1.018 57.194 58.200 0.020 0.000 0.815 297 S CB 1.142 64.433 63.200 0.153 0.000 1.119 297 S HN -0.001 nan 8.310 nan 0.000 0.470 298 L N 1.774 123.069 121.223 0.120 0.000 2.313 298 L HA 0.725 5.064 4.340 -0.001 0.000 0.283 298 L C -1.382 175.571 176.870 0.139 0.000 1.013 298 L CA -0.095 54.771 54.840 0.043 0.000 0.816 298 L CB 1.107 43.216 42.059 0.082 0.000 1.236 298 L HN 0.884 nan 8.230 nan 0.000 0.419 299 H N 5.512 124.534 119.070 -0.081 0.000 2.489 299 H HA 0.603 5.158 4.556 -0.001 0.000 0.322 299 H C -0.281 174.991 175.328 -0.094 0.000 1.091 299 H CA -0.272 55.736 56.048 -0.066 0.000 1.291 299 H CB 1.025 30.755 29.762 -0.054 0.000 1.436 299 H HN 0.697 nan 8.280 nan 0.000 0.480 300 I N -0.653 119.918 120.570 0.001 0.000 2.957 300 I HA 0.474 4.644 4.170 -0.001 0.000 0.310 300 I C -0.570 175.615 176.117 0.113 0.000 1.063 300 I CA -0.925 60.355 61.300 -0.034 0.000 1.033 300 I CB 2.912 40.762 38.000 -0.250 0.000 1.230 300 I HN 0.507 nan 8.210 nan 0.000 0.447 301 H N 2.495 121.568 119.070 0.005 0.000 2.860 301 H HA 0.228 4.783 4.556 -0.001 0.000 0.312 301 H C -1.522 173.854 175.328 0.080 0.000 0.995 301 H CA -0.683 55.395 56.048 0.051 0.000 1.311 301 H CB 1.353 31.142 29.762 0.044 0.000 1.478 301 H HN 0.761 nan 8.280 nan 0.000 0.508 302 D N 5.529 126.007 120.400 0.130 0.000 2.325 302 D HA 0.014 4.653 4.640 -0.001 0.000 0.251 302 D C 0.903 177.091 176.300 -0.187 0.000 1.196 302 D CA -0.121 53.895 54.000 0.027 0.000 0.866 302 D CB 1.193 42.107 40.800 0.190 0.000 1.101 302 D HN 0.682 nan 8.370 nan 0.000 0.476 303 L N 4.326 125.429 121.223 -0.199 0.000 2.375 303 L HA -0.047 4.292 4.340 -0.001 0.000 0.215 303 L C 2.056 178.877 176.870 -0.082 0.000 1.108 303 L CA -0.011 54.688 54.840 -0.236 0.000 0.830 303 L CB 0.060 42.061 42.059 -0.097 0.000 0.959 303 L HN 0.525 nan 8.230 nan 0.000 0.457 304 I N -0.252 120.305 120.570 -0.020 0.000 2.206 304 I HA -0.184 3.985 4.170 -0.001 0.000 0.239 304 I C 2.746 178.880 176.117 0.029 0.000 1.078 304 I CA 1.793 63.102 61.300 0.015 0.000 1.367 304 I CB -1.144 36.876 38.000 0.033 0.000 1.078 304 I HN 0.296 nan 8.210 nan 0.000 0.413 305 S N 0.454 116.186 115.700 0.052 0.000 2.436 305 S HA 0.058 4.527 4.470 -0.001 0.000 0.228 305 S C 1.831 176.477 174.600 0.077 0.000 1.014 305 S CA 0.861 59.106 58.200 0.075 0.000 0.950 305 S CB -0.064 63.209 63.200 0.122 0.000 0.784 305 S HN 0.636 nan 8.310 nan 0.000 0.504 306 G N 0.939 109.785 108.800 0.076 0.000 2.179 306 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.260 306 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.260 306 G C -0.372 174.668 174.900 0.233 0.000 0.977 306 G CA 0.212 45.409 45.100 0.162 0.000 0.641 306 G HN 0.567 nan 8.290 nan 0.000 0.533 307 D N 0.319 120.819 120.400 0.168 0.000 2.313 307 D HA 0.509 5.149 4.640 -0.001 0.000 0.247 307 D C 0.909 177.241 176.300 0.054 0.000 1.094 307 D CA -0.005 54.001 54.000 0.009 0.000 0.925 307 D CB 0.666 41.394 40.800 -0.119 0.000 1.188 307 D HN 0.360 nan 8.370 nan 0.000 0.430 308 R N 1.010 121.378 120.500 -0.220 0.000 2.532 308 R HA 0.616 4.955 4.340 -0.001 0.000 0.295 308 R C -0.706 175.336 176.300 -0.430 0.000 0.968 308 R CA -0.633 55.365 56.100 -0.169 0.000 0.916 308 R CB 1.288 31.472 30.300 -0.193 0.000 1.124 308 R HN 0.298 nan 8.270 nan 0.000 0.463 309 F N -0.017 119.852 119.950 -0.133 0.000 2.626 309 F HA 0.300 4.826 4.527 -0.001 0.000 0.311 309 F C -0.093 175.586 175.800 -0.202 0.000 1.088 309 F CA -0.951 56.961 58.000 -0.147 0.000 0.949 309 F CB 2.264 41.200 39.000 -0.107 0.000 1.322 309 F HN 0.307 nan 8.300 nan 0.000 0.461 310 E N 2.647 122.870 120.200 0.039 0.000 2.134 310 E HA 0.443 4.792 4.350 -0.001 0.000 0.278 310 E C -0.992 175.686 176.600 0.131 0.000 0.959 310 E CA -0.564 55.880 56.400 0.073 0.000 0.783 310 E CB 1.307 31.052 29.700 0.075 0.000 1.095 310 E HN 0.217 nan 8.360 nan 0.000 0.399 311 I N 2.995 123.640 120.570 0.125 0.000 2.392 311 I HA 0.273 4.442 4.170 -0.001 0.000 0.295 311 I C 0.057 176.313 176.117 0.232 0.000 0.985 311 I CA -0.844 60.543 61.300 0.146 0.000 1.221 311 I CB 1.189 39.229 38.000 0.065 0.000 1.366 311 I HN 0.386 nan 8.210 nan 0.000 0.467 312 K N 4.791 125.320 120.400 0.216 0.000 2.206 312 K HA 0.794 5.114 4.320 -0.001 0.000 0.264 312 K C -1.059 175.623 176.600 0.138 0.000 0.967 312 K CA -0.277 56.142 56.287 0.220 0.000 0.844 312 K CB 1.583 34.173 32.500 0.149 0.000 1.099 312 K HN 0.816 nan 8.250 nan 0.000 0.441 313 A N 2.944 125.762 122.820 -0.003 0.000 2.566 313 A HA 0.388 4.707 4.320 -0.001 0.000 0.292 313 A C -0.440 177.008 177.584 -0.226 0.000 1.112 313 A CA -0.706 51.180 52.037 -0.251 0.000 0.707 313 A CB 1.134 19.761 19.000 -0.623 0.000 1.302 313 A HN 0.797 nan 8.150 nan 0.000 0.409 314 D N -0.537 119.767 120.400 -0.161 0.000 2.194 314 D HA 0.102 4.741 4.640 -0.001 0.000 0.204 314 D C 0.261 176.407 176.300 -0.258 0.000 0.964 314 D CA 1.632 55.589 54.000 -0.072 0.000 0.846 314 D CB 0.251 41.062 40.800 0.019 0.000 0.962 314 D HN 0.216 nan 8.370 nan 0.000 0.490 315 V N 0.833 120.461 119.914 -0.477 0.000 2.588 315 V HA 0.281 4.400 4.120 -0.001 0.000 0.304 315 V C -1.173 174.637 176.094 -0.474 0.000 1.042 315 V CA -0.885 61.138 62.300 -0.462 0.000 0.877 315 V CB 1.713 33.163 31.823 -0.621 0.000 0.996 315 V HN -0.072 nan 8.190 nan 0.000 0.425 316 Y N 2.876 123.163 120.300 -0.021 0.000 2.335 316 Y HA 0.724 5.273 4.550 -0.001 0.000 0.338 316 Y C -0.092 175.782 175.900 -0.043 0.000 0.977 316 Y CA -0.924 57.155 58.100 -0.035 0.000 1.114 316 Y CB 2.135 40.576 38.460 -0.033 0.000 1.182 316 Y HN 0.363 nan 8.280 nan 0.000 0.463 317 V N 5.425 125.314 119.914 -0.042 0.000 2.531 317 V HA 0.409 4.528 4.120 -0.001 0.000 0.301 317 V C -0.608 175.357 176.094 -0.215 0.000 1.034 317 V CA -0.937 61.225 62.300 -0.231 0.000 0.865 317 V CB 1.869 33.360 31.823 -0.553 0.000 0.995 317 V HN 0.598 nan 8.190 nan 0.000 0.424 318 L N 4.994 126.082 121.223 -0.226 0.000 2.294 318 L HA 0.580 4.920 4.340 -0.001 0.000 0.283 318 L C 0.214 176.978 176.870 -0.177 0.000 1.015 318 L CA -0.215 54.516 54.840 -0.182 0.000 0.831 318 L CB 1.829 43.759 42.059 -0.215 0.000 1.217 318 L HN 0.824 nan 8.230 nan 0.000 0.420 319 T N -1.547 112.938 114.554 -0.116 0.000 3.630 319 T HA 0.367 4.716 4.350 -0.001 0.000 0.238 319 T C 0.628 175.329 174.700 0.001 0.000 1.195 319 T CA -0.161 61.911 62.100 -0.047 0.000 1.433 319 T CB 1.044 69.885 68.868 -0.045 0.000 0.940 319 T HN 0.526 nan 8.240 nan 0.000 0.641 320 A N 0.801 123.632 122.820 0.018 0.000 2.345 320 A HA 0.776 5.095 4.320 -0.001 0.000 0.225 320 A C 1.383 179.038 177.584 0.119 0.000 1.243 320 A CA 0.080 52.148 52.037 0.052 0.000 0.875 320 A CB -0.696 18.334 19.000 0.050 0.000 0.929 320 A HN 1.725 nan 8.150 nan 0.000 0.502 321 G N -2.477 106.398 108.800 0.124 0.000 2.662 321 G HA2 0.260 4.220 3.960 -0.001 0.000 0.686 321 G HA3 0.260 4.220 3.960 -0.001 0.000 0.686 321 G C 0.747 175.764 174.900 0.195 0.000 1.271 321 G CA -0.302 44.894 45.100 0.158 0.000 0.816 321 G HN 1.272 nan 8.290 nan 0.000 0.608 322 A N -0.317 122.609 122.820 0.176 0.000 1.933 322 A HA 0.210 4.529 4.320 -0.001 0.000 0.218 322 A C 2.672 180.352 177.584 0.160 0.000 1.175 322 A CA 3.173 55.306 52.037 0.161 0.000 0.628 322 A CB -0.390 18.675 19.000 0.109 0.000 0.814 322 A HN 1.606 nan 8.150 nan 0.000 0.444 323 V N -0.795 119.183 119.914 0.106 0.000 2.283 323 V HA -0.220 3.900 4.120 -0.001 0.000 0.243 323 V C 2.256 178.298 176.094 -0.086 0.000 1.039 323 V CA 2.300 64.599 62.300 -0.001 0.000 1.016 323 V CB -1.037 30.704 31.823 -0.136 0.000 0.650 323 V HN 0.730 nan 8.190 nan 0.000 0.449 324 H N -0.434 118.707 119.070 0.119 0.000 2.512 324 H HA 0.025 4.580 4.556 -0.001 0.000 0.279 324 H C 2.244 177.559 175.328 -0.022 0.000 0.999 324 H CA 0.879 56.949 56.048 0.036 0.000 1.283 324 H CB -0.005 29.765 29.762 0.014 0.000 1.421 324 H HN 0.299 nan 8.280 nan 0.000 0.554 325 N N -0.199 118.553 118.700 0.087 0.000 2.084 325 N HA -0.114 4.625 4.740 -0.001 0.000 0.190 325 N C 1.697 177.175 175.510 -0.053 0.000 1.030 325 N CA 1.755 54.795 53.050 -0.016 0.000 0.849 325 N CB -0.413 38.056 38.487 -0.031 0.000 1.012 325 N HN 0.312 nan 8.380 nan 0.000 0.423 326 T N 0.784 115.375 114.554 0.060 0.000 2.746 326 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 326 T C 1.832 176.369 174.700 -0.272 0.000 1.039 326 T CA 1.080 63.209 62.100 0.048 0.000 1.142 326 T CB -0.185 68.845 68.868 0.269 0.000 0.866 326 T HN 0.350 nan 8.240 nan 0.000 0.444 327 Q N 0.360 119.878 119.800 -0.469 0.000 2.050 327 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 327 Q C 2.349 178.076 176.000 -0.455 0.000 0.980 327 Q CA 1.162 56.410 55.803 -0.925 0.000 0.840 327 Q CB -0.287 28.155 28.738 -0.493 0.000 0.898 327 Q HN 0.488 nan 8.270 nan 0.000 0.424 328 L N 0.357 121.444 121.223 -0.227 0.000 2.046 328 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 328 L C 2.287 179.072 176.870 -0.141 0.000 1.077 328 L CA 0.973 55.724 54.840 -0.149 0.000 0.747 328 L CB -0.149 41.843 42.059 -0.110 0.000 0.896 328 L HN 0.328 nan 8.230 nan 0.000 0.432 329 L N -1.406 119.718 121.223 -0.165 0.000 2.046 329 L HA -0.235 4.104 4.340 -0.001 0.000 0.208 329 L C 2.390 179.295 176.870 0.059 0.000 1.077 329 L CA 0.969 55.747 54.840 -0.103 0.000 0.747 329 L CB -0.560 41.343 42.059 -0.260 0.000 0.896 329 L HN 0.097 nan 8.230 nan 0.000 0.432 330 V N -0.286 119.591 119.914 -0.061 0.000 2.548 330 V HA -0.212 3.907 4.120 -0.001 0.000 0.249 330 V C 2.037 178.111 176.094 -0.034 0.000 1.055 330 V CA 1.697 63.988 62.300 -0.015 0.000 1.065 330 V CB -0.653 31.141 31.823 -0.048 0.000 0.681 330 V HN 0.474 nan 8.190 nan 0.000 0.462 331 N N 0.126 118.768 118.700 -0.097 0.000 2.573 331 N HA -0.088 4.651 4.740 -0.001 0.000 0.187 331 N C 1.394 176.878 175.510 -0.044 0.000 1.107 331 N CA 1.027 54.037 53.050 -0.066 0.000 0.918 331 N CB -0.000 38.437 38.487 -0.082 0.000 0.966 331 N HN 0.400 nan 8.380 nan 0.000 0.448 332 S N -1.709 113.983 115.700 -0.014 0.000 2.578 332 S HA 0.363 4.832 4.470 -0.001 0.000 0.231 332 S C 1.023 175.559 174.600 -0.107 0.000 0.994 332 S CA 0.087 58.272 58.200 -0.026 0.000 0.956 332 S CB 0.782 64.012 63.200 0.051 0.000 0.870 332 S HN 0.481 nan 8.310 nan 0.000 0.494 333 G N 1.250 109.995 108.800 -0.092 0.000 2.157 333 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.239 333 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.239 333 G C -0.071 174.673 174.900 -0.260 0.000 0.982 333 G CA -0.522 44.471 45.100 -0.179 0.000 0.650 333 G HN 0.420 nan 8.290 nan 0.000 0.527 334 F N 0.924 120.832 119.950 -0.070 0.000 2.382 334 F HA 0.523 5.049 4.527 -0.001 0.000 0.331 334 F C 1.732 177.532 175.800 0.000 0.000 1.121 334 F CA 1.005 58.977 58.000 -0.046 0.000 1.183 334 F CB 0.715 39.657 39.000 -0.097 0.000 1.207 334 F HN 0.708 nan 8.300 nan 0.000 0.555 335 G N 1.821 110.749 108.800 0.213 0.000 2.614 335 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.303 335 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.303 335 G C -0.622 174.342 174.900 0.107 0.000 1.270 335 G CA 0.493 45.688 45.100 0.159 0.000 0.988 335 G HN 0.967 nan 8.290 nan 0.000 0.551 336 Q N -1.303 118.566 119.800 0.114 0.000 2.284 336 Q HA 0.646 4.986 4.340 -0.001 0.000 0.269 336 Q C -1.093 174.974 176.000 0.111 0.000 1.026 336 Q CA -1.036 54.814 55.803 0.078 0.000 0.831 336 Q CB 1.820 30.585 28.738 0.046 0.000 1.322 336 Q HN 1.015 nan 8.270 nan 0.000 0.419 337 L N 3.240 124.521 121.223 0.096 0.000 2.395 337 L HA 0.811 5.151 4.340 -0.001 0.000 0.269 337 L C 0.430 177.366 176.870 0.109 0.000 1.133 337 L CA 2.075 56.998 54.840 0.139 0.000 0.812 337 L CB 1.021 43.140 42.059 0.101 0.000 1.125 337 L HN 0.939 nan 8.230 nan 0.000 0.452 338 G N 3.383 112.295 108.800 0.186 0.000 2.710 338 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.668 338 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.668 338 G C -0.516 174.226 174.900 -0.264 0.000 1.320 338 G CA -0.294 44.857 45.100 0.086 0.000 0.860 338 G HN 0.894 nan 8.290 nan 0.000 0.538 339 R N 0.797 120.929 120.500 -0.613 0.000 2.538 339 R HA 0.331 4.671 4.340 -0.001 0.000 0.282 339 R C -1.814 174.033 176.300 -0.755 0.000 1.009 339 R CA -0.540 54.786 56.100 -1.290 0.000 1.063 339 R CB 0.022 29.887 30.300 -0.725 0.000 0.945 339 R HN 0.360 nan 8.270 nan 0.000 0.414 340 P HA -0.045 nan 4.420 nan 0.000 0.266 340 P C -1.208 175.936 177.300 -0.260 0.000 1.195 340 P CA 0.402 63.262 63.100 -0.400 0.000 0.768 340 P CB 0.388 31.884 31.700 -0.340 0.000 0.838 341 N N 2.717 121.321 118.700 -0.161 0.000 2.727 341 N HA 0.161 4.900 4.740 -0.001 0.000 0.252 341 N C -1.628 173.838 175.510 -0.072 0.000 1.283 341 N CA -1.744 51.238 53.050 -0.113 0.000 0.782 341 N CB 0.929 39.357 38.487 -0.098 0.000 1.199 341 N HN 0.193 nan 8.380 nan 0.000 0.520 342 P HA -0.215 nan 4.420 nan 0.000 0.220 342 P C 0.851 178.133 177.300 -0.030 0.000 1.142 342 P CA 1.006 64.082 63.100 -0.041 0.000 0.801 342 P CB 0.317 31.992 31.700 -0.041 0.000 0.764 343 A N -0.885 121.914 122.820 -0.035 0.000 2.072 343 A HA -0.012 4.307 4.320 -0.001 0.000 0.216 343 A C 1.544 179.114 177.584 -0.022 0.000 1.156 343 A CA 0.503 52.525 52.037 -0.026 0.000 0.701 343 A CB -0.568 18.415 19.000 -0.028 0.000 0.816 343 A HN 0.182 nan 8.150 nan 0.000 0.458 344 N N 1.354 120.038 118.700 -0.027 0.000 2.914 344 N HA 0.183 4.923 4.740 -0.001 0.000 0.304 344 N C -2.951 172.551 175.510 -0.013 0.000 1.727 344 N CA -1.162 51.876 53.050 -0.020 0.000 0.986 344 N CB 0.894 39.366 38.487 -0.025 0.000 1.297 344 N HN 0.270 nan 8.380 nan 0.000 0.490 345 P HA 0.068 nan 4.420 nan 0.000 0.264 345 P C -2.524 174.782 177.300 0.011 0.000 1.183 345 P CA -0.492 62.611 63.100 0.005 0.000 0.763 345 P CB 0.155 31.860 31.700 0.008 0.000 0.807 346 P HA 0.146 nan 4.420 nan 0.000 0.274 346 P C 0.857 178.173 177.300 0.026 0.000 1.246 346 P CA -0.218 62.898 63.100 0.027 0.000 0.795 346 P CB 1.007 32.737 31.700 0.050 0.000 1.006 347 E N -0.096 120.112 120.200 0.013 0.000 2.208 347 E HA -0.006 4.343 4.350 -0.001 0.000 0.193 347 E C -0.119 176.502 176.600 0.036 0.000 0.988 347 E CA 0.653 57.059 56.400 0.009 0.000 0.828 347 E CB 0.078 29.768 29.700 -0.017 0.000 0.763 347 E HN 0.339 nan 8.360 nan 0.000 0.478 348 L N 0.695 121.952 121.223 0.057 0.000 2.455 348 L HA 0.294 4.634 4.340 -0.001 0.000 0.264 348 L C -0.510 176.477 176.870 0.195 0.000 0.968 348 L CA -0.967 53.951 54.840 0.130 0.000 0.827 348 L CB 2.138 44.241 42.059 0.074 0.000 1.317 348 L HN 0.043 nan 8.230 nan 0.000 0.407 349 L N 3.168 124.531 121.223 0.234 0.000 3.826 349 L HA -0.182 4.157 4.340 -0.001 0.000 0.566 349 L C -1.475 175.502 176.870 0.179 0.000 1.217 349 L CA -0.477 54.500 54.840 0.229 0.000 0.823 349 L CB -0.854 41.367 42.059 0.270 0.000 1.381 349 L HN 0.570 nan 8.230 nan 0.000 0.825 350 P HA -0.133 nan 4.420 nan 0.000 0.219 350 P C 1.268 178.659 177.300 0.152 0.000 1.146 350 P CA 1.231 64.404 63.100 0.122 0.000 0.808 350 P CB 0.262 32.017 31.700 0.092 0.000 0.779 351 S N -0.575 115.234 115.700 0.181 0.000 2.603 351 S HA 0.056 4.525 4.470 -0.001 0.000 0.220 351 S C 0.850 175.600 174.600 0.250 0.000 0.967 351 S CA -0.366 57.985 58.200 0.251 0.000 0.920 351 S CB -0.768 62.584 63.200 0.253 0.000 0.773 351 S HN 0.068 nan 8.310 nan 0.000 0.529 352 L N 2.068 123.417 121.223 0.209 0.000 2.455 352 L HA 0.486 4.826 4.340 -0.001 0.000 0.272 352 L C 1.155 178.157 176.870 0.220 0.000 1.174 352 L CA 1.056 56.023 54.840 0.210 0.000 0.869 352 L CB -0.115 42.056 42.059 0.187 0.000 1.130 352 L HN 0.315 nan 8.230 nan 0.000 0.474 353 G N 2.451 111.391 108.800 0.233 0.000 2.189 353 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.267 353 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.267 353 G C 0.471 175.488 174.900 0.196 0.000 0.975 353 G CA 0.456 45.692 45.100 0.226 0.000 0.644 353 G HN 0.818 nan 8.290 nan 0.000 0.537 354 S N -1.567 114.256 115.700 0.205 0.000 2.722 354 S HA 0.634 5.104 4.470 -0.001 0.000 0.292 354 S C 0.462 175.202 174.600 0.233 0.000 1.135 354 S CA 0.166 58.435 58.200 0.115 0.000 1.003 354 S CB 0.749 63.952 63.200 0.006 0.000 1.067 354 S HN 0.896 nan 8.310 nan 0.000 0.546 355 Y N -1.149 119.215 120.300 0.107 0.000 4.272 355 Y HA -0.203 4.346 4.550 -0.001 0.000 0.232 355 Y C 0.493 176.471 175.900 0.130 0.000 1.149 355 Y CA 0.207 58.368 58.100 0.102 0.000 1.961 355 Y CB -2.258 36.258 38.460 0.094 0.000 1.611 355 Y HN 0.610 nan 8.280 nan 0.000 0.682 356 I N -0.165 120.551 120.570 0.244 0.000 2.779 356 I HA 0.498 4.667 4.170 -0.001 0.000 0.285 356 I C 0.679 176.965 176.117 0.281 0.000 1.134 356 I CA 0.442 61.893 61.300 0.252 0.000 1.398 356 I CB 1.257 39.411 38.000 0.257 0.000 1.404 356 I HN 0.196 nan 8.210 nan 0.000 0.587 357 T N 1.604 116.292 114.554 0.224 0.000 2.893 357 T HA 0.693 5.043 4.350 -0.001 0.000 0.293 357 T C -0.711 174.038 174.700 0.081 0.000 1.027 357 T CA -0.681 61.536 62.100 0.195 0.000 0.988 357 T CB 2.048 70.971 68.868 0.091 0.000 1.043 357 T HN 0.834 nan 8.240 nan 0.000 0.461 358 E N 1.266 121.500 120.200 0.057 0.000 2.343 358 E HA 0.349 4.698 4.350 -0.001 0.000 0.278 358 E C -1.128 175.586 176.600 0.191 0.000 0.910 358 E CA -0.537 55.846 56.400 -0.028 0.000 0.757 358 E CB 2.082 31.559 29.700 -0.372 0.000 1.218 358 E HN 0.722 nan 8.360 nan 0.000 0.435 359 Q N 1.106 121.024 119.800 0.198 0.000 2.327 359 Q HA 0.435 4.775 4.340 -0.001 0.000 0.254 359 Q C -0.378 175.801 176.000 0.298 0.000 0.952 359 Q CA -0.252 55.712 55.803 0.268 0.000 0.884 359 Q CB 1.098 30.023 28.738 0.312 0.000 1.224 359 Q HN 0.460 nan 8.270 nan 0.000 0.422 360 S N 1.529 117.307 115.700 0.130 0.000 2.564 360 S HA 0.331 4.801 4.470 -0.001 0.000 0.278 360 S C -0.677 173.932 174.600 0.015 0.000 1.333 360 S CA -0.497 57.627 58.200 -0.125 0.000 1.048 360 S CB 0.407 63.434 63.200 -0.287 0.000 0.900 360 S HN 0.386 nan 8.310 nan 0.000 0.505 361 L N 4.342 125.538 121.223 -0.045 0.000 2.409 361 L HA 0.706 5.045 4.340 -0.001 0.000 0.272 361 L C -0.840 175.855 176.870 -0.292 0.000 0.980 361 L CA -0.654 54.065 54.840 -0.201 0.000 0.826 361 L CB 1.647 43.556 42.059 -0.249 0.000 1.268 361 L HN 0.479 nan 8.230 nan 0.000 0.407 362 V N 2.105 121.784 119.914 -0.392 0.000 2.581 362 V HA 0.761 4.880 4.120 -0.001 0.000 0.303 362 V C -1.059 174.879 176.094 -0.259 0.000 1.041 362 V CA -0.621 61.377 62.300 -0.503 0.000 0.907 362 V CB 1.633 32.988 31.823 -0.779 0.000 0.994 362 V HN 0.789 nan 8.190 nan 0.000 0.442 363 F N 5.206 124.924 119.950 -0.387 0.000 2.596 363 F HA 0.862 5.388 4.527 -0.001 0.000 0.311 363 F C -0.397 175.283 175.800 -0.200 0.000 1.116 363 F CA -0.466 57.398 58.000 -0.226 0.000 0.957 363 F CB 1.373 40.265 39.000 -0.181 0.000 1.250 363 F HN 1.204 nan 8.300 nan 0.000 0.444 364 C N 3.189 122.000 119.300 -0.814 0.000 3.332 364 C HA 0.857 5.316 4.460 -0.001 0.000 0.329 364 C C -1.660 172.946 174.990 -0.640 0.000 1.434 364 C CA -0.623 57.879 59.018 -0.860 0.000 1.314 364 C CB 1.790 29.207 27.740 -0.537 0.000 1.664 364 C HN 0.934 nan 8.230 nan 0.000 0.457 365 Q N 0.481 120.079 119.800 -0.336 0.000 2.413 365 Q HA 0.745 5.084 4.340 -0.001 0.000 0.276 365 Q C -0.731 175.333 176.000 0.106 0.000 1.099 365 Q CA -0.245 55.561 55.803 0.006 0.000 0.814 365 Q CB 2.758 31.488 28.738 -0.013 0.000 1.379 365 Q HN 0.940 nan 8.270 nan 0.000 0.436 366 T N -2.428 112.264 114.554 0.231 0.000 2.908 366 T HA 0.691 5.040 4.350 -0.001 0.000 0.290 366 T C -0.440 174.335 174.700 0.125 0.000 1.034 366 T CA -0.711 61.483 62.100 0.155 0.000 1.010 366 T CB 1.261 70.243 68.868 0.189 0.000 1.068 366 T HN 0.259 nan 8.240 nan 0.000 0.481 367 V N 2.976 122.926 119.914 0.059 0.000 2.398 367 V HA 0.395 4.515 4.120 -0.001 0.000 0.286 367 V C 0.428 176.542 176.094 0.034 0.000 1.026 367 V CA -0.947 61.380 62.300 0.046 0.000 0.868 367 V CB 1.120 32.957 31.823 0.024 0.000 0.982 367 V HN 1.018 nan 8.190 nan 0.000 0.443 368 M N 4.633 124.261 119.600 0.047 0.000 2.245 368 M HA 0.088 4.568 4.480 -0.001 0.000 0.335 368 M C 0.850 177.161 176.300 0.020 0.000 1.155 368 M CA 0.720 56.046 55.300 0.045 0.000 1.055 368 M CB 0.631 33.255 32.600 0.040 0.000 1.670 368 M HN 0.938 nan 8.290 nan 0.000 0.447 369 S N 2.455 118.164 115.700 0.015 0.000 2.562 369 S HA 0.085 4.554 4.470 -0.001 0.000 0.281 369 S C 1.013 175.618 174.600 0.008 0.000 1.333 369 S CA -0.179 58.020 58.200 -0.002 0.000 1.052 369 S CB 0.616 63.810 63.200 -0.009 0.000 0.884 369 S HN 0.814 nan 8.310 nan 0.000 0.506 370 T N 2.300 116.855 114.554 0.001 0.000 2.685 370 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 370 T C 1.600 176.309 174.700 0.015 0.000 1.034 370 T CA 2.080 64.185 62.100 0.008 0.000 1.149 370 T CB -0.495 68.374 68.868 0.002 0.000 0.860 370 T HN 0.791 nan 8.240 nan 0.000 0.449 371 E N 0.412 120.618 120.200 0.010 0.000 2.077 371 E HA -0.054 4.295 4.350 -0.001 0.000 0.193 371 E C 2.273 178.893 176.600 0.033 0.000 0.989 371 E CA 0.835 57.244 56.400 0.016 0.000 0.800 371 E CB -0.234 29.469 29.700 0.005 0.000 0.746 371 E HN 0.438 nan 8.360 nan 0.000 0.452 372 L N 0.719 121.965 121.223 0.037 0.000 2.056 372 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 372 L C 2.401 179.313 176.870 0.070 0.000 1.078 372 L CA 0.425 55.302 54.840 0.061 0.000 0.749 372 L CB -0.219 41.877 42.059 0.061 0.000 0.901 372 L HN 0.193 nan 8.230 nan 0.000 0.433 373 I N 0.027 120.625 120.570 0.047 0.000 2.179 373 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 373 I C 2.140 178.290 176.117 0.055 0.000 1.088 373 I CA 1.514 62.838 61.300 0.040 0.000 1.357 373 I CB -1.091 36.924 38.000 0.024 0.000 1.051 373 I HN 0.286 nan 8.210 nan 0.000 0.409 374 D N 0.725 121.156 120.400 0.052 0.000 2.182 374 D HA -0.137 4.502 4.640 -0.001 0.000 0.201 374 D C 2.336 178.686 176.300 0.083 0.000 0.986 374 D CA 1.659 55.693 54.000 0.058 0.000 0.847 374 D CB -0.098 40.727 40.800 0.042 0.000 0.942 374 D HN 0.387 nan 8.370 nan 0.000 0.467 375 S N -0.086 115.674 115.700 0.099 0.000 2.447 375 S HA -0.087 4.383 4.470 -0.001 0.000 0.233 375 S C 2.159 176.907 174.600 0.247 0.000 1.006 375 S CA 0.505 58.793 58.200 0.147 0.000 0.957 375 S CB -0.459 62.825 63.200 0.140 0.000 0.773 375 S HN 0.076 nan 8.310 nan 0.000 0.507 376 V N 2.842 122.878 119.914 0.202 0.000 2.380 376 V HA -0.185 3.934 4.120 -0.001 0.000 0.251 376 V C 2.017 178.250 176.094 0.231 0.000 1.063 376 V CA 2.147 64.594 62.300 0.245 0.000 1.055 376 V CB -0.857 31.025 31.823 0.098 0.000 0.657 376 V HN 0.786 nan 8.190 nan 0.000 0.455 377 K N 0.330 120.824 120.400 0.156 0.000 2.576 377 K HA 0.217 4.537 4.320 -0.001 0.000 0.209 377 K C 1.484 178.146 176.600 0.104 0.000 1.049 377 K CA 0.644 57.007 56.287 0.126 0.000 1.140 377 K CB 0.212 32.770 32.500 0.095 0.000 0.871 377 K HN 0.427 nan 8.250 nan 0.000 0.479 378 S N 0.594 116.370 115.700 0.127 0.000 2.447 378 S HA -0.127 4.342 4.470 -0.001 0.000 0.233 378 S C 0.895 175.506 174.600 0.018 0.000 1.006 378 S CA 0.995 59.230 58.200 0.058 0.000 0.957 378 S CB -0.176 63.041 63.200 0.027 0.000 0.773 378 S HN 0.277 nan 8.310 nan 0.000 0.507 379 D N 0.821 121.237 120.400 0.026 0.000 2.340 379 D HA 0.243 4.883 4.640 -0.001 0.000 0.217 379 D C -0.017 176.315 176.300 0.053 0.000 1.081 379 D CA 0.178 54.178 54.000 0.000 0.000 0.842 379 D CB 0.065 40.835 40.800 -0.050 0.000 0.934 379 D HN 0.378 nan 8.370 nan 0.000 0.511 380 M N 0.781 120.415 119.600 0.057 0.000 2.233 380 M HA 0.225 4.704 4.480 -0.001 0.000 0.355 380 M C 0.232 176.562 176.300 0.050 0.000 1.191 380 M CA -0.065 55.281 55.300 0.076 0.000 1.101 380 M CB 1.021 33.660 32.600 0.064 0.000 1.592 380 M HN -0.297 nan 8.290 nan 0.000 0.461 381 T N 4.344 118.925 114.554 0.045 0.000 2.799 381 T HA 0.677 5.027 4.350 -0.001 0.000 0.286 381 T C 0.161 174.847 174.700 -0.025 0.000 0.973 381 T CA -0.368 61.738 62.100 0.010 0.000 1.035 381 T CB 0.760 69.629 68.868 0.002 0.000 0.932 381 T HN 0.460 nan 8.240 nan 0.000 0.469 382 I N 3.490 124.043 120.570 -0.029 0.000 2.418 382 I HA 0.420 4.589 4.170 -0.001 0.000 0.287 382 I C 0.190 176.275 176.117 -0.053 0.000 1.008 382 I CA -0.695 60.561 61.300 -0.074 0.000 1.104 382 I CB 1.295 39.291 38.000 -0.006 0.000 1.264 382 I HN 0.340 nan 8.210 nan 0.000 0.438 383 R N 4.568 124.999 120.500 -0.115 0.000 2.534 383 R HA 0.781 5.120 4.340 -0.001 0.000 0.301 383 R C -0.177 176.138 176.300 0.025 0.000 0.961 383 R CA -0.816 55.262 56.100 -0.037 0.000 0.871 383 R CB 2.137 32.410 30.300 -0.045 0.000 1.170 383 R HN 0.858 nan 8.270 nan 0.000 0.446 384 G N 1.023 109.889 108.800 0.109 0.000 2.712 384 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.683 384 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.683 384 G C -0.436 174.634 174.900 0.285 0.000 1.320 384 G CA -0.442 44.769 45.100 0.185 0.000 0.847 384 G HN 0.694 nan 8.290 nan 0.000 0.553 385 T N -0.441 114.218 114.554 0.175 0.000 2.837 385 T HA 0.697 5.046 4.350 -0.001 0.000 0.285 385 T C -2.310 172.295 174.700 -0.158 0.000 0.984 385 T CA -1.399 60.734 62.100 0.055 0.000 1.049 385 T CB 1.886 70.756 68.868 0.003 0.000 0.947 385 T HN 0.497 nan 8.240 nan 0.000 0.472 386 P HA 0.217 nan 4.420 nan 0.000 0.261 386 P C 1.180 178.226 177.300 -0.423 0.000 1.173 386 P CA 1.325 63.799 63.100 -1.044 0.000 0.760 386 P CB 0.114 31.391 31.700 -0.705 0.000 0.783 387 G N 1.636 110.253 108.800 -0.305 0.000 2.234 387 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.235 387 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.235 387 G C 0.405 175.274 174.900 -0.052 0.000 0.997 387 G CA -0.123 44.902 45.100 -0.125 0.000 0.623 387 G HN 0.525 nan 8.290 nan 0.000 0.514 388 E N -0.838 119.343 120.200 -0.031 0.000 3.570 388 E HA 0.511 4.860 4.350 -0.001 0.000 0.298 388 E C 1.268 177.897 176.600 0.049 0.000 1.489 388 E CA -0.210 56.203 56.400 0.022 0.000 1.457 388 E CB 0.150 29.881 29.700 0.052 0.000 1.247 388 E HN 0.095 nan 8.360 nan 0.000 0.778 389 L N -0.503 120.752 121.223 0.054 0.000 2.537 389 L HA 0.025 4.364 4.340 -0.001 0.000 0.224 389 L C 1.854 178.762 176.870 0.064 0.000 1.065 389 L CA 1.053 55.923 54.840 0.050 0.000 0.860 389 L CB -0.347 41.730 42.059 0.031 0.000 1.086 389 L HN 0.564 nan 8.230 nan 0.000 0.482 390 T N -4.264 110.334 114.554 0.073 0.000 3.105 390 T HA 0.105 4.454 4.350 -0.001 0.000 0.253 390 T C 0.506 175.265 174.700 0.098 0.000 1.047 390 T CA -0.306 61.833 62.100 0.065 0.000 0.944 390 T CB -0.647 68.248 68.868 0.045 0.000 1.016 390 T HN 0.006 nan 8.240 nan 0.000 0.544 391 Y N 4.244 124.547 120.300 0.004 0.000 2.805 391 Y HA 0.310 4.859 4.550 -0.001 0.000 0.331 391 Y C 0.323 176.228 175.900 0.007 0.000 1.241 391 Y CA -0.347 57.757 58.100 0.006 0.000 1.546 391 Y CB 0.119 38.581 38.460 0.004 0.000 1.248 391 Y HN 0.370 nan 8.280 nan 0.000 0.559 392 S N 4.616 120.094 115.700 -0.370 0.000 2.569 392 S HA 0.852 5.321 4.470 -0.001 0.000 0.280 392 S C -1.666 172.646 174.600 -0.480 0.000 1.111 392 S CA -0.950 57.043 58.200 -0.344 0.000 0.887 392 S CB 1.773 64.886 63.200 -0.145 0.000 1.095 392 S HN 0.518 nan 8.310 nan 0.000 0.476 393 V N 2.259 121.982 119.914 -0.319 0.000 2.482 393 V HA 0.765 4.884 4.120 -0.001 0.000 0.295 393 V C -0.069 175.995 176.094 -0.051 0.000 1.026 393 V CA -0.160 62.017 62.300 -0.204 0.000 0.856 393 V CB 1.251 32.974 31.823 -0.167 0.000 1.001 393 V HN 1.251 nan 8.190 nan 0.000 0.424 394 T N 1.663 116.216 114.554 -0.002 0.000 2.865 394 T HA 0.914 5.263 4.350 -0.001 0.000 0.294 394 T C -1.023 173.775 174.700 0.164 0.000 1.119 394 T CA -0.764 61.366 62.100 0.050 0.000 1.007 394 T CB 2.495 71.342 68.868 -0.034 0.000 1.225 394 T HN 0.946 nan 8.240 nan 0.000 0.515 395 Y N -1.944 118.348 120.300 -0.013 0.000 2.625 395 Y HA 0.738 5.287 4.550 -0.001 0.000 0.338 395 Y C -0.980 174.913 175.900 -0.011 0.000 1.123 395 Y CA -1.316 56.778 58.100 -0.011 0.000 1.046 395 Y CB 0.697 39.157 38.460 0.000 0.000 1.299 395 Y HN 0.679 nan 8.280 nan 0.000 0.464 396 T N 4.054 118.597 114.554 -0.018 0.000 2.733 396 T HA 0.390 4.740 4.350 -0.001 0.000 0.294 396 T C -2.804 171.912 174.700 0.026 0.000 0.956 396 T CA -1.315 60.730 62.100 -0.093 0.000 0.987 396 T CB 0.637 69.497 68.868 -0.015 0.000 0.920 396 T HN 0.357 nan 8.240 nan 0.000 0.470 397 P HA 0.191 nan 4.420 nan 0.000 0.263 397 P C 1.129 178.473 177.300 0.074 0.000 1.195 397 P CA 0.674 63.830 63.100 0.093 0.000 0.762 397 P CB 0.230 31.933 31.700 0.004 0.000 0.799 398 G N 2.385 111.241 108.800 0.093 0.000 2.175 398 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.265 398 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.265 398 G C 0.517 175.426 174.900 0.016 0.000 0.979 398 G CA 0.070 45.194 45.100 0.041 0.000 0.663 398 G HN 0.870 nan 8.290 nan 0.000 0.533 399 A N 0.418 123.250 122.820 0.020 0.000 2.565 399 A HA 0.567 4.886 4.320 -0.001 0.000 0.237 399 A C 1.856 179.426 177.584 -0.023 0.000 1.053 399 A CA 1.311 53.347 52.037 -0.001 0.000 0.755 399 A CB 0.178 19.181 19.000 0.006 0.000 0.980 399 A HN 1.769 nan 8.150 nan 0.000 0.506 400 S N 1.410 117.095 115.700 -0.026 0.000 2.419 400 S HA -0.171 4.298 4.470 -0.001 0.000 0.233 400 S C 1.409 175.977 174.600 -0.054 0.000 1.016 400 S CA 1.690 59.869 58.200 -0.037 0.000 0.974 400 S CB -0.938 62.244 63.200 -0.029 0.000 0.786 400 S HN 1.241 nan 8.310 nan 0.000 0.492 401 T N -0.845 113.678 114.554 -0.052 0.000 3.148 401 T HA 0.216 4.565 4.350 -0.001 0.000 0.253 401 T C 0.390 175.030 174.700 -0.100 0.000 1.134 401 T CA -0.405 61.654 62.100 -0.067 0.000 1.051 401 T CB -0.518 68.320 68.868 -0.050 0.000 0.959 401 T HN 0.187 nan 8.240 nan 0.000 0.525 402 N N 1.620 120.255 118.700 -0.108 0.000 2.530 402 N HA 0.351 5.090 4.740 -0.001 0.000 0.277 402 N C 0.695 176.037 175.510 -0.279 0.000 1.168 402 N CA -0.314 52.637 53.050 -0.165 0.000 0.979 402 N CB 1.460 39.868 38.487 -0.130 0.000 1.141 402 N HN 0.237 nan 8.380 nan 0.000 0.459 403 K N 0.222 120.340 120.400 -0.469 0.000 2.352 403 K HA 0.134 4.453 4.320 -0.001 0.000 0.194 403 K C -0.252 175.729 176.600 -1.032 0.000 1.038 403 K CA 0.417 56.277 56.287 -0.712 0.000 1.023 403 K CB 0.286 32.298 32.500 -0.815 0.000 0.840 403 K HN 0.528 nan 8.250 nan 0.000 0.519 404 H N -0.360 118.365 119.070 -0.575 0.000 2.731 404 H HA 0.322 4.877 4.556 -0.001 0.000 0.368 404 H C -2.522 172.461 175.328 -0.576 0.000 1.168 404 H CA -2.826 52.710 56.048 -0.854 0.000 1.181 404 H CB 1.043 29.825 29.762 -1.634 0.000 1.743 404 H HN -0.148 nan 8.280 nan 0.000 0.547 405 P HA 0.009 nan 4.420 nan 0.000 0.272 405 P C 0.335 177.455 177.300 -0.299 0.000 1.240 405 P CA -0.190 62.712 63.100 -0.330 0.000 0.791 405 P CB 1.155 32.602 31.700 -0.421 0.000 0.978 406 D N 0.163 120.510 120.400 -0.088 0.000 2.144 406 D HA -0.141 4.498 4.640 -0.001 0.000 0.199 406 D C 1.901 178.238 176.300 0.062 0.000 0.984 406 D CA 1.219 55.240 54.000 0.035 0.000 0.834 406 D CB -0.550 40.364 40.800 0.190 0.000 0.955 406 D HN 0.611 nan 8.370 nan 0.000 0.465 407 W N 0.320 121.694 121.300 0.123 0.000 2.342 407 W HA -0.174 4.486 4.660 -0.001 0.000 0.297 407 W C 1.923 178.529 176.519 0.145 0.000 1.213 407 W CA 0.322 57.739 57.345 0.120 0.000 1.251 407 W CB -1.333 28.190 29.460 0.105 0.000 1.136 407 W HN 0.072 nan 8.180 nan 0.000 0.526 408 W N 3.510 124.412 121.300 -0.663 0.000 2.379 408 W HA -0.154 4.505 4.660 -0.001 0.000 0.307 408 W C 1.907 178.200 176.519 -0.377 0.000 1.200 408 W CA 1.724 58.652 57.345 -0.694 0.000 1.297 408 W CB -1.082 27.683 29.460 -1.158 0.000 1.140 408 W HN -0.099 nan 8.180 nan 0.000 0.507 409 N N 0.973 119.627 118.700 -0.076 0.000 2.166 409 N HA -0.200 4.539 4.740 -0.001 0.000 0.186 409 N C 1.535 176.833 175.510 -0.353 0.000 1.019 409 N CA 1.948 54.766 53.050 -0.387 0.000 0.856 409 N CB -0.612 37.240 38.487 -1.058 0.000 0.993 409 N HN 0.295 nan 8.380 nan 0.000 0.426 410 E N 1.395 121.520 120.200 -0.124 0.000 2.072 410 E HA -0.053 4.297 4.350 -0.001 0.000 0.191 410 E C 1.580 178.251 176.600 0.119 0.000 0.985 410 E CA 1.212 57.688 56.400 0.126 0.000 0.801 410 E CB 0.107 29.943 29.700 0.228 0.000 0.750 410 E HN 0.238 nan 8.360 nan 0.000 0.452 411 K N -0.343 120.123 120.400 0.110 0.000 2.097 411 K HA -0.082 4.237 4.320 -0.001 0.000 0.206 411 K C 2.093 178.730 176.600 0.062 0.000 1.049 411 K CA 1.305 57.648 56.287 0.092 0.000 0.933 411 K CB -0.037 32.511 32.500 0.079 0.000 0.717 411 K HN 0.051 nan 8.250 nan 0.000 0.442 412 V N 2.034 121.957 119.914 0.016 0.000 2.307 412 V HA -0.244 3.875 4.120 -0.001 0.000 0.245 412 V C 2.414 178.565 176.094 0.095 0.000 1.045 412 V CA 1.667 63.988 62.300 0.034 0.000 1.024 412 V CB -0.410 31.428 31.823 0.026 0.000 0.651 412 V HN 0.348 nan 8.190 nan 0.000 0.449 413 K N 0.421 120.871 120.400 0.084 0.000 2.032 413 K HA -0.254 4.065 4.320 -0.001 0.000 0.209 413 K C 2.012 178.679 176.600 0.110 0.000 1.048 413 K CA 2.130 58.485 56.287 0.113 0.000 0.927 413 K CB -0.264 32.350 32.500 0.191 0.000 0.712 413 K HN 0.427 nan 8.250 nan 0.000 0.441 414 N N 0.482 119.255 118.700 0.121 0.000 2.058 414 N HA -0.204 4.536 4.740 -0.001 0.000 0.191 414 N C 1.799 177.379 175.510 0.116 0.000 1.037 414 N CA 1.674 54.789 53.050 0.107 0.000 0.848 414 N CB -0.893 37.662 38.487 0.114 0.000 1.021 414 N HN 0.437 nan 8.380 nan 0.000 0.422 415 H N 0.906 120.023 119.070 0.078 0.000 2.289 415 H HA -0.015 4.540 4.556 -0.001 0.000 0.296 415 H C 2.046 177.444 175.328 0.117 0.000 1.091 415 H CA 2.120 58.235 56.048 0.111 0.000 1.274 415 H CB -0.235 29.517 29.762 -0.017 0.000 1.364 415 H HN 0.141 nan 8.280 nan 0.000 0.490 416 M N -0.892 118.719 119.600 0.019 0.000 2.213 416 M HA -0.157 4.322 4.480 -0.001 0.000 0.263 416 M C 1.796 178.146 176.300 0.084 0.000 1.062 416 M CA 1.137 56.451 55.300 0.025 0.000 1.105 416 M CB 0.004 32.686 32.600 0.136 0.000 1.385 416 M HN 0.362 nan 8.290 nan 0.000 0.417 417 M N -0.583 119.050 119.600 0.056 0.000 2.334 417 M HA -0.061 4.419 4.480 -0.001 0.000 0.266 417 M C 1.788 178.084 176.300 -0.007 0.000 1.082 417 M CA 1.551 56.894 55.300 0.071 0.000 1.141 417 M CB -0.732 31.889 32.600 0.036 0.000 1.380 417 M HN 0.299 nan 8.290 nan 0.000 0.440 418 Q N -1.002 118.729 119.800 -0.115 0.000 2.354 418 Q HA -0.013 4.326 4.340 -0.001 0.000 0.203 418 Q C 0.011 175.707 176.000 -0.505 0.000 0.933 418 Q CA 0.664 56.288 55.803 -0.299 0.000 0.901 418 Q CB 0.498 29.002 28.738 -0.391 0.000 1.007 418 Q HN 0.481 nan 8.270 nan 0.000 0.495 419 H N 0.229 119.224 119.070 -0.124 0.000 2.348 419 H HA 0.200 4.756 4.556 -0.001 0.000 0.232 419 H C -0.093 175.160 175.328 -0.125 0.000 1.419 419 H CA -0.051 55.929 56.048 -0.113 0.000 1.416 419 H CB 0.620 30.263 29.762 -0.199 0.000 1.510 419 H HN 0.253 nan 8.280 nan 0.000 0.507 420 Q N 0.596 120.393 119.800 -0.005 0.000 2.432 420 Q HA -0.080 4.260 4.340 -0.001 0.000 0.205 420 Q C 1.737 177.697 176.000 -0.067 0.000 0.945 420 Q CA 0.463 56.224 55.803 -0.070 0.000 0.924 420 Q CB 0.517 29.176 28.738 -0.132 0.000 1.016 420 Q HN 0.472 nan 8.270 nan 0.000 0.503 421 E N 1.270 121.475 120.200 0.009 0.000 2.482 421 E HA -0.106 4.243 4.350 -0.001 0.000 0.196 421 E C -0.391 176.242 176.600 0.056 0.000 1.047 421 E CA 0.524 56.939 56.400 0.025 0.000 0.869 421 E CB 0.025 29.757 29.700 0.052 0.000 0.836 421 E HN 0.188 nan 8.360 nan 0.000 0.520 422 D N 1.488 121.932 120.400 0.074 0.000 2.168 422 D HA 0.167 4.806 4.640 -0.001 0.000 0.246 422 D C -1.663 174.677 176.300 0.065 0.000 1.050 422 D CA -2.177 51.887 54.000 0.108 0.000 0.857 422 D CB 1.728 42.616 40.800 0.148 0.000 1.169 422 D HN -0.191 nan 8.370 nan 0.000 0.453 423 P HA 0.159 nan 4.420 nan 0.000 0.261 423 P C -0.308 177.024 177.300 0.053 0.000 1.268 423 P CA 0.074 63.203 63.100 0.048 0.000 0.833 423 P CB 0.466 32.189 31.700 0.039 0.000 1.231 424 L N 1.843 123.104 121.223 0.063 0.000 2.334 424 L HA 0.404 4.743 4.340 -0.001 0.000 0.273 424 L C -1.550 175.358 176.870 0.063 0.000 1.013 424 L CA -2.193 52.666 54.840 0.032 0.000 0.816 424 L CB 2.711 44.755 42.059 -0.025 0.000 1.278 424 L HN -0.303 nan 8.230 nan 0.000 0.431 425 P HA 0.134 nan 4.420 nan 0.000 0.261 425 P C 0.208 177.413 177.300 -0.158 0.000 1.268 425 P CA 0.302 63.429 63.100 0.046 0.000 0.833 425 P CB 0.504 32.230 31.700 0.044 0.000 1.231 426 I N 2.707 123.092 120.570 -0.309 0.000 2.396 426 I HA 0.174 4.344 4.170 -0.001 0.000 0.289 426 I C -2.067 173.572 176.117 -0.797 0.000 1.056 426 I CA -2.463 58.578 61.300 -0.432 0.000 1.365 426 I CB 0.341 38.165 38.000 -0.293 0.000 1.407 426 I HN -0.204 nan 8.210 nan 0.000 0.509 427 P HA -0.029 nan 4.420 nan 0.000 0.266 427 P C 0.345 177.371 177.300 -0.456 0.000 1.193 427 P CA 0.070 62.758 63.100 -0.687 0.000 0.770 427 P CB 0.372 31.942 31.700 -0.217 0.000 0.836 428 F N 0.847 120.661 119.950 -0.228 0.000 2.126 428 F HA -0.138 4.389 4.527 -0.001 0.000 0.299 428 F C 1.793 177.550 175.800 -0.071 0.000 1.096 428 F CA 1.634 59.560 58.000 -0.125 0.000 1.255 428 F CB -0.908 38.040 39.000 -0.086 0.000 0.997 428 F HN 0.393 nan 8.300 nan 0.000 0.479 429 E N 0.011 120.293 120.200 0.137 0.000 2.403 429 E HA -0.016 4.333 4.350 -0.001 0.000 0.188 429 E C -0.282 176.337 176.600 0.032 0.000 1.056 429 E CA -0.128 56.323 56.400 0.084 0.000 0.892 429 E CB -0.442 29.309 29.700 0.086 0.000 1.049 429 E HN 0.266 nan 8.360 nan 0.000 0.465 430 D N 2.386 122.782 120.400 -0.006 0.000 2.417 430 D HA 0.049 4.689 4.640 -0.001 0.000 0.250 430 D C -2.324 173.988 176.300 0.020 0.000 1.166 430 D CA -1.780 52.205 54.000 -0.025 0.000 0.881 430 D CB 0.834 41.579 40.800 -0.092 0.000 1.164 430 D HN -0.154 nan 8.370 nan 0.000 0.467 431 P HA 0.025 nan 4.420 nan 0.000 0.269 431 P C -0.410 176.995 177.300 0.174 0.000 1.217 431 P CA -0.198 62.988 63.100 0.144 0.000 0.783 431 P CB 0.353 32.148 31.700 0.159 0.000 0.898 432 E N 2.965 123.278 120.200 0.189 0.000 2.392 432 E HA 0.157 4.507 4.350 -0.001 0.000 0.259 432 E C -2.404 174.218 176.600 0.038 0.000 1.108 432 E CA -1.915 54.526 56.400 0.069 0.000 0.916 432 E CB -0.912 28.792 29.700 0.006 0.000 0.989 432 E HN 0.260 nan 8.360 nan 0.000 0.432 433 P HA 0.069 nan 4.420 nan 0.000 0.274 433 P C -0.462 176.841 177.300 0.004 0.000 1.231 433 P CA -0.071 63.086 63.100 0.097 0.000 0.790 433 P CB 0.518 32.236 31.700 0.030 0.000 0.951 434 Q N 0.960 120.864 119.800 0.174 0.000 3.557 434 Q HA 0.287 4.627 4.340 -0.001 0.000 0.264 434 Q C -0.938 175.162 176.000 0.167 0.000 0.850 434 Q CA -0.334 55.463 55.803 -0.011 0.000 0.833 434 Q CB 1.096 29.563 28.738 -0.452 0.000 1.505 434 Q HN 0.200 nan 8.270 nan 0.000 0.402 435 V N 0.595 120.576 119.914 0.112 0.000 2.532 435 V HA 0.731 4.851 4.120 -0.001 0.000 0.295 435 V C 0.280 176.406 176.094 0.053 0.000 1.041 435 V CA -0.344 62.015 62.300 0.099 0.000 0.926 435 V CB 1.956 33.775 31.823 -0.007 0.000 0.992 435 V HN 0.425 nan 8.190 nan 0.000 0.457 436 T N 1.721 116.338 114.554 0.104 0.000 2.900 436 T HA 0.493 4.842 4.350 -0.001 0.000 0.303 436 T C -0.922 173.768 174.700 -0.017 0.000 1.142 436 T CA -0.336 61.776 62.100 0.021 0.000 1.007 436 T CB 1.948 70.810 68.868 -0.009 0.000 1.156 436 T HN 0.800 nan 8.240 nan 0.000 0.490 437 T N 4.360 118.764 114.554 -0.249 0.000 2.809 437 T HA 0.580 4.930 4.350 -0.001 0.000 0.296 437 T C -0.090 174.487 174.700 -0.205 0.000 1.015 437 T CA -0.589 61.204 62.100 -0.512 0.000 0.954 437 T CB -0.201 67.905 68.868 -1.271 0.000 0.950 437 T HN 0.521 nan 8.240 nan 0.000 0.450 438 L N 4.295 125.477 121.223 -0.069 0.000 2.467 438 L HA 0.371 4.711 4.340 -0.001 0.000 0.270 438 L C 0.810 177.706 176.870 0.043 0.000 1.205 438 L CA -0.848 54.039 54.840 0.078 0.000 0.828 438 L CB 0.186 42.282 42.059 0.061 0.000 1.101 438 L HN 0.622 nan 8.230 nan 0.000 0.479 439 F N 2.899 122.800 119.950 -0.081 0.000 2.604 439 F HA -0.090 4.436 4.527 -0.001 0.000 0.390 439 F C 0.217 175.771 175.800 -0.409 0.000 1.053 439 F CA 0.587 58.444 58.000 -0.237 0.000 1.256 439 F CB 0.115 39.019 39.000 -0.160 0.000 0.996 439 F HN 0.382 nan 8.300 nan 0.000 0.564 440 Q N 6.378 125.554 119.800 -1.040 0.000 2.462 440 Q HA 0.239 4.578 4.340 -0.001 0.000 0.285 440 Q C -2.097 173.384 176.000 -0.865 0.000 1.035 440 Q CA -1.748 53.591 55.803 -0.774 0.000 0.799 440 Q CB 1.369 29.608 28.738 -0.831 0.000 1.452 440 Q HN 0.241 nan 8.270 nan 0.000 0.404 441 P HA -0.202 nan 4.420 nan 0.000 0.217 441 P C 1.160 178.217 177.300 -0.404 0.000 1.148 441 P CA 1.987 64.886 63.100 -0.335 0.000 0.834 441 P CB 0.247 31.855 31.700 -0.152 0.000 0.783 442 S N -1.787 113.662 115.700 -0.418 0.000 2.527 442 S HA -0.076 4.393 4.470 -0.001 0.000 0.222 442 S C 0.516 174.898 174.600 -0.364 0.000 0.985 442 S CA 0.105 58.147 58.200 -0.264 0.000 0.921 442 S CB -1.152 62.009 63.200 -0.065 0.000 0.772 442 S HN 0.424 nan 8.310 nan 0.000 0.529 443 H N -1.475 117.125 119.070 -0.784 0.000 2.562 443 H HA 0.450 5.005 4.556 -0.001 0.000 0.230 443 H C -3.247 170.923 175.328 -1.929 0.000 1.415 443 H CA -1.662 53.525 56.048 -1.435 0.000 1.454 443 H CB 0.303 29.538 29.762 -0.879 0.000 1.716 443 H HN 0.048 nan 8.280 nan 0.000 0.538 444 P HA 0.074 nan 4.420 nan 0.000 0.225 444 P C -1.202 175.628 177.300 -0.782 0.000 1.768 444 P CA 0.277 62.403 63.100 -1.624 0.000 0.943 444 P CB -1.102 30.178 31.700 -0.701 0.000 1.936 445 W N -0.853 120.203 121.300 -0.407 0.000 3.213 445 W HA 0.515 5.174 4.660 -0.001 0.000 0.318 445 W C -0.921 175.706 176.519 0.181 0.000 1.248 445 W CA -1.272 56.134 57.345 0.102 0.000 1.187 445 W CB 0.060 29.578 29.460 0.096 0.000 1.403 445 W HN -0.056 nan 8.180 nan 0.000 0.556 446 H N 1.015 120.351 119.070 0.444 0.000 2.505 446 H HA 0.721 5.277 4.556 -0.001 0.000 0.351 446 H C -0.231 175.250 175.328 0.255 0.000 1.151 446 H CA 0.492 56.703 56.048 0.272 0.000 1.339 446 H CB 1.534 31.406 29.762 0.184 0.000 1.483 446 H HN 0.582 nan 8.280 nan 0.000 0.558 447 T N 1.978 116.186 114.554 -0.576 0.000 2.916 447 T HA 0.465 4.814 4.350 -0.001 0.000 0.298 447 T C -0.850 173.572 174.700 -0.462 0.000 1.031 447 T CA -1.125 60.677 62.100 -0.496 0.000 0.993 447 T CB 1.566 70.024 68.868 -0.682 0.000 1.045 447 T HN 0.663 nan 8.240 nan 0.000 0.454 448 Q N 1.961 121.682 119.800 -0.132 0.000 2.321 448 Q HA 0.610 4.950 4.340 -0.001 0.000 0.270 448 Q C -1.099 174.851 176.000 -0.083 0.000 1.032 448 Q CA -0.732 54.934 55.803 -0.228 0.000 0.784 448 Q CB 2.682 31.137 28.738 -0.471 0.000 1.264 448 Q HN 0.710 nan 8.270 nan 0.000 0.448 449 I N 3.694 124.178 120.570 -0.143 0.000 2.537 449 I HA 0.342 4.511 4.170 -0.001 0.000 0.276 449 I C -0.463 175.582 176.117 -0.120 0.000 1.063 449 I CA -0.234 60.860 61.300 -0.343 0.000 1.144 449 I CB 0.416 38.085 38.000 -0.552 0.000 1.252 449 I HN 0.767 nan 8.210 nan 0.000 0.480 450 H N 3.836 122.763 119.070 -0.239 0.000 3.001 450 H HA 0.676 5.232 4.556 -0.001 0.000 0.266 450 H C -1.241 174.054 175.328 -0.056 0.000 1.532 450 H CA -1.330 54.647 56.048 -0.118 0.000 1.187 450 H CB 1.435 31.161 29.762 -0.059 0.000 1.881 450 H HN 0.099 nan 8.280 nan 0.000 0.643 451 R N 1.179 121.485 120.500 -0.323 0.000 2.533 451 R HA 0.416 4.755 4.340 -0.001 0.000 0.288 451 R C -1.683 174.378 176.300 -0.399 0.000 1.039 451 R CA -0.602 55.292 56.100 -0.343 0.000 0.909 451 R CB 1.888 32.104 30.300 -0.140 0.000 1.195 451 R HN 0.848 nan 8.270 nan 0.000 0.438 452 D N 0.374 120.552 120.400 -0.369 0.000 2.692 452 D HA 0.454 5.093 4.640 -0.001 0.000 0.290 452 D C -1.356 174.753 176.300 -0.318 0.000 1.281 452 D CA -0.412 53.385 54.000 -0.338 0.000 0.804 452 D CB 2.531 43.121 40.800 -0.350 0.000 1.331 452 D HN 0.492 nan 8.370 nan 0.000 0.432 453 A N 1.160 123.691 122.820 -0.481 0.000 2.289 453 A HA 0.663 4.982 4.320 -0.001 0.000 0.298 453 A C -1.064 176.070 177.584 -0.750 0.000 1.208 453 A CA -0.091 51.719 52.037 -0.378 0.000 0.845 453 A CB -0.137 18.806 19.000 -0.096 0.000 1.125 453 A HN 0.313 nan 8.150 nan 0.000 0.517 454 F N 0.436 120.205 119.950 -0.302 0.000 2.654 454 F HA 0.394 4.921 4.527 -0.001 0.000 0.334 454 F C 1.727 177.274 175.800 -0.422 0.000 1.078 454 F CA 0.065 57.825 58.000 -0.400 0.000 0.986 454 F CB 1.688 40.235 39.000 -0.755 0.000 1.362 454 F HN 0.576 nan 8.300 nan 0.000 0.498 455 S N -0.311 115.326 115.700 -0.105 0.000 2.474 455 S HA -0.209 4.260 4.470 -0.001 0.000 0.235 455 S C 0.896 175.480 174.600 -0.028 0.000 0.997 455 S CA 1.398 59.562 58.200 -0.059 0.000 0.949 455 S CB -0.954 62.276 63.200 0.049 0.000 0.766 455 S HN 0.707 nan 8.310 nan 0.000 0.517 456 Y N 0.030 120.313 120.300 -0.028 0.000 2.531 456 Y HA 0.692 5.242 4.550 -0.001 0.000 0.249 456 Y C 1.045 176.905 175.900 -0.066 0.000 1.168 456 Y CA -1.369 56.688 58.100 -0.070 0.000 1.226 456 Y CB -0.741 37.637 38.460 -0.138 0.000 1.177 456 Y HN 0.173 nan 8.280 nan 0.000 0.527 457 G N 1.309 109.963 108.800 -0.243 0.000 2.716 457 G HA2 0.430 4.389 3.960 -0.001 0.000 0.251 457 G HA3 0.430 4.389 3.960 -0.001 0.000 0.251 457 G C -0.545 174.370 174.900 0.024 0.000 1.224 457 G CA -0.125 44.920 45.100 -0.091 0.000 0.891 457 G HN 0.614 nan 8.290 nan 0.000 0.561 458 A N -1.004 121.855 122.820 0.066 0.000 2.325 458 A HA 0.640 4.959 4.320 -0.001 0.000 0.333 458 A C -0.169 177.448 177.584 0.054 0.000 1.155 458 A CA -0.509 51.577 52.037 0.082 0.000 0.814 458 A CB 1.618 20.689 19.000 0.118 0.000 1.206 458 A HN 0.810 nan 8.150 nan 0.000 0.482 459 V N 1.793 121.736 119.914 0.048 0.000 2.614 459 V HA 0.444 4.563 4.120 -0.001 0.000 0.291 459 V C 0.034 176.155 176.094 0.045 0.000 1.049 459 V CA 0.575 62.899 62.300 0.040 0.000 1.038 459 V CB 0.876 32.719 31.823 0.033 0.000 0.980 459 V HN 1.024 nan 8.190 nan 0.000 0.481 460 Q N 4.382 124.207 119.800 0.042 0.000 2.536 460 Q HA 0.304 4.643 4.340 -0.001 0.000 0.231 460 Q C -0.774 175.248 176.000 0.036 0.000 0.811 460 Q CA -0.248 55.580 55.803 0.041 0.000 0.966 460 Q CB 1.433 30.201 28.738 0.050 0.000 1.512 460 Q HN 0.551 nan 8.270 nan 0.000 0.456 461 Q N 1.436 121.255 119.800 0.031 0.000 2.185 461 Q HA 0.176 4.515 4.340 -0.001 0.000 0.234 461 Q C 0.685 176.701 176.000 0.027 0.000 0.819 461 Q CA 0.940 56.760 55.803 0.028 0.000 0.961 461 Q CB 1.364 30.116 28.738 0.023 0.000 1.140 461 Q HN 0.751 nan 8.270 nan 0.000 0.492 462 S N -0.672 115.045 115.700 0.027 0.000 2.486 462 S HA 0.141 4.610 4.470 -0.001 0.000 0.220 462 S C 0.976 175.593 174.600 0.028 0.000 1.011 462 S CA -0.048 58.168 58.200 0.025 0.000 0.921 462 S CB 0.357 63.570 63.200 0.022 0.000 0.785 462 S HN 0.040 nan 8.310 nan 0.000 0.517 463 I N 3.244 123.832 120.570 0.031 0.000 2.359 463 I HA 0.349 4.519 4.170 -0.001 0.000 0.294 463 I C 0.079 176.219 176.117 0.039 0.000 0.987 463 I CA -1.106 60.214 61.300 0.033 0.000 1.225 463 I CB 1.009 39.029 38.000 0.033 0.000 1.366 463 I HN 0.199 nan 8.210 nan 0.000 0.466 464 D N 4.159 124.584 120.400 0.041 0.000 2.472 464 D HA -0.069 4.570 4.640 -0.001 0.000 0.248 464 D C 1.276 177.603 176.300 0.045 0.000 1.174 464 D CA 0.256 54.286 54.000 0.050 0.000 0.883 464 D CB 1.130 41.962 40.800 0.055 0.000 1.149 464 D HN 0.663 nan 8.370 nan 0.000 0.488 465 S N 4.248 119.977 115.700 0.049 0.000 2.442 465 S HA -0.175 4.294 4.470 -0.001 0.000 0.236 465 S C 1.667 176.287 174.600 0.034 0.000 1.007 465 S CA 0.531 58.757 58.200 0.043 0.000 0.965 465 S CB -0.029 63.197 63.200 0.043 0.000 0.773 465 S HN 0.541 nan 8.310 nan 0.000 0.504 466 R N 0.663 121.181 120.500 0.029 0.000 2.200 466 R HA 0.113 4.453 4.340 -0.001 0.000 0.234 466 R C 1.754 178.053 176.300 -0.002 0.000 1.127 466 R CA 1.300 57.400 56.100 -0.000 0.000 0.989 466 R CB -0.537 29.743 30.300 -0.033 0.000 0.869 466 R HN 0.466 nan 8.270 nan 0.000 0.459 467 L N 0.182 121.414 121.223 0.016 0.000 2.509 467 L HA 0.143 4.483 4.340 -0.001 0.000 0.222 467 L C 0.582 177.479 176.870 0.044 0.000 1.123 467 L CA 0.061 54.916 54.840 0.024 0.000 0.856 467 L CB 0.192 42.267 42.059 0.027 0.000 0.985 467 L HN 0.048 nan 8.230 nan 0.000 0.456 468 I N 0.110 120.708 120.570 0.047 0.000 2.353 468 I HA 0.229 4.398 4.170 -0.001 0.000 0.293 468 I C -0.534 175.624 176.117 0.069 0.000 0.992 468 I CA -0.327 61.014 61.300 0.068 0.000 1.268 468 I CB 1.731 39.769 38.000 0.063 0.000 1.387 468 I HN -0.294 nan 8.210 nan 0.000 0.478 469 V N 5.026 125.012 119.914 0.119 0.000 2.735 469 V HA 0.359 4.478 4.120 -0.001 0.000 0.310 469 V C -0.764 175.394 176.094 0.108 0.000 1.061 469 V CA -0.868 61.469 62.300 0.062 0.000 0.913 469 V CB 2.166 34.014 31.823 0.042 0.000 1.005 469 V HN 0.576 nan 8.190 nan 0.000 0.428 470 D N 2.262 122.663 120.400 0.001 0.000 2.210 470 D HA 0.441 5.081 4.640 -0.001 0.000 0.249 470 D C -1.059 175.225 176.300 -0.027 0.000 1.062 470 D CA 0.025 54.109 54.000 0.140 0.000 0.891 470 D CB 1.406 42.328 40.800 0.202 0.000 1.186 470 D HN 0.442 nan 8.370 nan 0.000 0.432 471 W N 1.353 122.750 121.300 0.162 0.000 2.475 471 W HA 0.439 5.099 4.660 -0.001 0.000 0.320 471 W C 0.230 176.859 176.519 0.182 0.000 1.022 471 W CA -0.855 56.583 57.345 0.155 0.000 1.240 471 W CB 1.214 30.644 29.460 -0.050 0.000 1.328 471 W HN -0.075 nan 8.180 nan 0.000 0.439 472 R N 2.981 123.725 120.500 0.407 0.000 2.483 472 R HA 0.521 4.860 4.340 -0.001 0.000 0.303 472 R C -1.592 174.822 176.300 0.190 0.000 0.987 472 R CA -0.819 55.354 56.100 0.121 0.000 0.881 472 R CB 1.520 31.793 30.300 -0.044 0.000 1.177 472 R HN 0.182 nan 8.270 nan 0.000 0.451 473 F N 3.136 122.905 119.950 -0.301 0.000 2.507 473 F HA 0.510 5.036 4.527 -0.001 0.000 0.325 473 F C -0.536 175.139 175.800 -0.209 0.000 1.116 473 F CA -1.430 56.503 58.000 -0.111 0.000 0.930 473 F CB 1.248 40.158 39.000 -0.150 0.000 1.146 473 F HN 0.295 nan 8.300 nan 0.000 0.447 474 F N 1.470 121.587 119.950 0.277 0.000 2.477 474 F HA 0.663 5.190 4.527 -0.001 0.000 0.335 474 F C 0.592 176.579 175.800 0.311 0.000 1.130 474 F CA -1.177 56.980 58.000 0.262 0.000 0.948 474 F CB 1.497 40.700 39.000 0.339 0.000 1.154 474 F HN 0.519 nan 8.300 nan 0.000 0.439 475 G N 2.053 111.076 108.800 0.372 0.000 2.502 475 G HA2 0.645 4.604 3.960 -0.001 0.000 0.305 475 G HA3 0.645 4.604 3.960 -0.001 0.000 0.305 475 G C -0.856 174.220 174.900 0.293 0.000 1.190 475 G CA -1.078 44.236 45.100 0.358 0.000 0.933 475 G HN 0.699 nan 8.290 nan 0.000 0.503 476 R N -0.798 119.871 120.500 0.281 0.000 2.428 476 R HA 0.630 4.969 4.340 -0.001 0.000 0.294 476 R C -1.036 175.353 176.300 0.149 0.000 1.000 476 R CA -0.568 55.620 56.100 0.148 0.000 0.960 476 R CB 1.260 31.653 30.300 0.155 0.000 1.076 476 R HN 0.261 nan 8.270 nan 0.000 0.475 477 T N 2.687 117.301 114.554 0.101 0.000 2.770 477 T HA 0.152 4.501 4.350 -0.001 0.000 0.283 477 T C -0.683 174.095 174.700 0.129 0.000 0.988 477 T CA -0.740 61.469 62.100 0.182 0.000 0.957 477 T CB 1.150 70.203 68.868 0.308 0.000 0.930 477 T HN 0.573 nan 8.240 nan 0.000 0.443 478 E N 4.381 124.660 120.200 0.131 0.000 2.465 478 E HA 0.103 4.452 4.350 -0.001 0.000 0.260 478 E C -2.191 174.485 176.600 0.127 0.000 0.980 478 E CA -1.369 55.100 56.400 0.115 0.000 0.927 478 E CB 0.132 29.892 29.700 0.099 0.000 0.934 478 E HN 0.300 nan 8.360 nan 0.000 0.459 479 P HA 0.080 nan 4.420 nan 0.000 0.276 479 P C -0.935 176.531 177.300 0.278 0.000 1.264 479 P CA 0.014 63.258 63.100 0.240 0.000 0.769 479 P CB 0.571 32.422 31.700 0.253 0.000 0.840 480 K N 2.917 123.407 120.400 0.150 0.000 2.397 480 K HA 0.149 4.468 4.320 -0.001 0.000 0.253 480 K C 1.054 177.460 176.600 -0.324 0.000 0.932 480 K CA -0.720 55.560 56.287 -0.012 0.000 0.795 480 K CB 2.089 34.554 32.500 -0.059 0.000 1.159 480 K HN 0.372 nan 8.250 nan 0.000 0.424 481 E N 2.810 122.657 120.200 -0.589 0.000 2.130 481 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 481 E C 0.844 177.178 176.600 -0.444 0.000 0.998 481 E CA 1.565 57.390 56.400 -0.958 0.000 0.806 481 E CB 0.533 29.906 29.700 -0.545 0.000 0.738 481 E HN 0.633 nan 8.360 nan 0.000 0.459 482 E N 0.326 120.374 120.200 -0.253 0.000 2.347 482 E HA -0.104 4.246 4.350 -0.001 0.000 0.196 482 E C -0.015 176.519 176.600 -0.110 0.000 1.008 482 E CA 0.217 56.527 56.400 -0.150 0.000 0.852 482 E CB -0.423 29.207 29.700 -0.116 0.000 0.783 482 E HN 0.025 nan 8.360 nan 0.000 0.505 483 N N 1.986 120.609 118.700 -0.129 0.000 2.406 483 N HA 0.190 4.930 4.740 -0.001 0.000 0.251 483 N C -0.750 174.807 175.510 0.077 0.000 1.069 483 N CA 0.084 53.107 53.050 -0.044 0.000 0.947 483 N CB 1.128 39.545 38.487 -0.117 0.000 1.111 483 N HN 0.122 nan 8.380 nan 0.000 0.497 484 K N 0.970 121.468 120.400 0.165 0.000 2.482 484 K HA 0.506 4.825 4.320 -0.001 0.000 0.257 484 K C -1.161 175.568 176.600 0.215 0.000 0.969 484 K CA -0.921 55.482 56.287 0.193 0.000 0.842 484 K CB 2.326 34.949 32.500 0.206 0.000 1.359 484 K HN 0.163 nan 8.250 nan 0.000 0.441 485 L N 3.438 124.731 121.223 0.116 0.000 2.319 485 L HA 0.568 4.908 4.340 -0.001 0.000 0.281 485 L C -1.435 175.324 176.870 -0.186 0.000 1.005 485 L CA -0.074 54.647 54.840 -0.198 0.000 0.828 485 L CB 0.538 42.505 42.059 -0.154 0.000 1.227 485 L HN 0.701 nan 8.230 nan 0.000 0.415 486 W N 3.563 124.543 121.300 -0.532 0.000 3.017 486 W HA 0.669 5.328 4.660 -0.001 0.000 0.341 486 W C -2.105 173.938 176.519 -0.793 0.000 1.180 486 W CA -1.236 55.858 57.345 -0.419 0.000 1.097 486 W CB 0.891 30.265 29.460 -0.145 0.000 1.468 486 W HN 0.328 nan 8.180 nan 0.000 0.584 487 F N 1.337 121.477 119.950 0.316 0.000 2.529 487 F HA 0.337 4.864 4.527 -0.001 0.000 0.320 487 F C 0.798 176.763 175.800 0.275 0.000 1.118 487 F CA -1.004 57.070 58.000 0.123 0.000 0.915 487 F CB 2.077 41.114 39.000 0.061 0.000 1.161 487 F HN 0.249 nan 8.300 nan 0.000 0.445 488 S N 1.107 116.966 115.700 0.266 0.000 2.560 488 S HA 0.010 4.479 4.470 -0.001 0.000 0.284 488 S C 0.776 175.519 174.600 0.238 0.000 1.327 488 S CA -0.447 57.927 58.200 0.290 0.000 1.055 488 S CB 0.291 63.583 63.200 0.153 0.000 0.868 488 S HN 0.695 nan 8.310 nan 0.000 0.506 489 D N 2.976 123.499 120.400 0.205 0.000 2.340 489 D HA 0.083 4.722 4.640 -0.001 0.000 0.220 489 D C 0.982 177.342 176.300 0.100 0.000 1.039 489 D CA 0.464 54.541 54.000 0.130 0.000 0.866 489 D CB 0.159 41.016 40.800 0.095 0.000 0.913 489 D HN 0.509 nan 8.370 nan 0.000 0.523 490 K N -0.377 120.088 120.400 0.109 0.000 2.493 490 K HA 0.133 4.453 4.320 -0.001 0.000 0.201 490 K C -0.048 176.599 176.600 0.078 0.000 1.355 490 K CA -0.162 56.175 56.287 0.083 0.000 0.953 490 K CB 0.980 33.528 32.500 0.081 0.000 1.316 490 K HN -0.041 nan 8.250 nan 0.000 0.522 491 I N 3.168 123.789 120.570 0.085 0.000 2.428 491 I HA 0.162 4.332 4.170 -0.001 0.000 0.296 491 I C 0.365 176.526 176.117 0.072 0.000 0.985 491 I CA -0.144 61.197 61.300 0.068 0.000 1.260 491 I CB 1.369 39.402 38.000 0.054 0.000 1.389 491 I HN 0.196 nan 8.210 nan 0.000 0.484 492 T N 1.137 115.730 114.554 0.065 0.000 2.924 492 T HA 0.585 4.935 4.350 -0.001 0.000 0.291 492 T C -0.335 174.409 174.700 0.074 0.000 1.045 492 T CA -0.891 61.255 62.100 0.076 0.000 1.015 492 T CB 2.403 71.312 68.868 0.069 0.000 1.103 492 T HN 0.542 nan 8.240 nan 0.000 0.496 493 D N 0.718 121.179 120.400 0.102 0.000 2.496 493 D HA 0.463 5.102 4.640 -0.001 0.000 0.283 493 D C 1.604 177.952 176.300 0.081 0.000 1.214 493 D CA -0.427 53.638 54.000 0.109 0.000 1.089 493 D CB -0.137 40.769 40.800 0.175 0.000 1.141 493 D HN 0.645 nan 8.370 nan 0.000 0.580 494 A N -1.627 121.233 122.820 0.067 0.000 2.121 494 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 494 A C 0.989 178.412 177.584 -0.268 0.000 1.154 494 A CA 0.775 52.748 52.037 -0.107 0.000 0.679 494 A CB -0.863 18.029 19.000 -0.180 0.000 0.795 494 A HN 0.525 nan 8.150 nan 0.000 0.458 495 Y N -0.543 119.790 120.300 0.054 0.000 2.696 495 Y HA 0.208 4.757 4.550 -0.001 0.000 0.260 495 Y C 0.495 176.435 175.900 0.067 0.000 1.165 495 Y CA -0.606 57.531 58.100 0.061 0.000 1.189 495 Y CB 0.232 38.717 38.460 0.043 0.000 1.180 495 Y HN 0.347 nan 8.280 nan 0.000 0.538 496 N N -0.002 118.782 118.700 0.140 0.000 2.747 496 N HA -0.168 4.572 4.740 -0.001 0.000 0.249 496 N C -0.604 174.968 175.510 0.103 0.000 1.107 496 N CA 0.916 54.024 53.050 0.098 0.000 0.707 496 N CB -0.915 37.614 38.487 0.069 0.000 1.054 496 N HN 0.313 nan 8.380 nan 0.000 0.555 497 M N -0.302 119.378 119.600 0.134 0.000 2.598 497 M HA 0.397 4.877 4.480 -0.001 0.000 0.317 497 M C -2.146 174.226 176.300 0.121 0.000 1.201 497 M CA -1.931 53.435 55.300 0.109 0.000 0.971 497 M CB 0.615 33.284 32.600 0.114 0.000 1.657 497 M HN -0.318 nan 8.290 nan 0.000 0.470 498 P HA -0.033 nan 4.420 nan 0.000 0.261 498 P C -0.589 176.863 177.300 0.253 0.000 1.183 498 P CA 0.176 63.374 63.100 0.163 0.000 0.761 498 P CB 0.210 32.002 31.700 0.154 0.000 0.785 499 Q N 6.975 126.878 119.800 0.172 0.000 2.286 499 Q HA 0.170 4.509 4.340 -0.001 0.000 0.267 499 Q C -2.304 173.680 176.000 -0.027 0.000 1.028 499 Q CA -2.024 53.832 55.803 0.087 0.000 0.901 499 Q CB -0.310 28.434 28.738 0.010 0.000 1.183 499 Q HN 0.276 nan 8.270 nan 0.000 0.392 500 P HA 0.113 nan 4.420 nan 0.000 0.268 500 P C -1.100 175.734 177.300 -0.777 0.000 1.204 500 P CA -0.027 62.685 63.100 -0.646 0.000 0.768 500 P CB 0.957 32.376 31.700 -0.469 0.000 0.842 501 T N 2.955 116.812 114.554 -1.162 0.000 2.916 501 T HA 0.550 4.899 4.350 -0.001 0.000 0.298 501 T C -0.724 173.284 174.700 -1.152 0.000 1.031 501 T CA -0.138 61.282 62.100 -1.134 0.000 0.993 501 T CB 0.581 68.440 68.868 -1.680 0.000 1.045 501 T HN 0.028 nan 8.240 nan 0.000 0.454 502 F N 1.765 121.429 119.950 -0.476 0.000 2.450 502 F HA 0.546 5.073 4.527 -0.001 0.000 0.332 502 F C 0.460 176.192 175.800 -0.113 0.000 1.093 502 F CA -0.936 56.908 58.000 -0.259 0.000 1.003 502 F CB 1.369 40.274 39.000 -0.158 0.000 1.151 502 F HN 0.398 nan 8.300 nan 0.000 0.474 503 D N 3.338 123.886 120.400 0.247 0.000 2.420 503 D HA 0.243 4.882 4.640 -0.001 0.000 0.255 503 D C -1.791 174.632 176.300 0.205 0.000 1.185 503 D CA -0.082 54.054 54.000 0.226 0.000 0.904 503 D CB 0.495 41.456 40.800 0.268 0.000 1.102 503 D HN 0.306 nan 8.370 nan 0.000 0.534 504 F N 3.296 123.237 119.950 -0.014 0.000 2.581 504 F HA 0.594 5.120 4.527 -0.001 0.000 0.311 504 F C -1.159 174.530 175.800 -0.185 0.000 1.113 504 F CA -0.605 57.321 58.000 -0.123 0.000 0.935 504 F CB 1.416 40.283 39.000 -0.222 0.000 1.232 504 F HN 0.034 nan 8.300 nan 0.000 0.445 505 R N 4.313 124.279 120.500 -0.891 0.000 2.651 505 R HA 0.345 4.685 4.340 -0.001 0.000 0.278 505 R C -1.650 174.041 176.300 -1.015 0.000 1.010 505 R CA -0.949 54.765 56.100 -0.643 0.000 0.896 505 R CB 1.648 31.779 30.300 -0.282 0.000 1.211 505 R HN 0.575 nan 8.270 nan 0.000 0.456 506 F N 2.898 122.652 119.950 -0.328 0.000 2.578 506 F HA 0.175 4.702 4.527 -0.001 0.000 0.381 506 F C -1.280 174.408 175.800 -0.187 0.000 1.069 506 F CA -1.095 56.795 58.000 -0.183 0.000 1.231 506 F CB -0.160 38.837 39.000 -0.004 0.000 1.086 506 F HN 0.134 nan 8.300 nan 0.000 0.564 507 P HA 0.116 nan 4.420 nan 0.000 0.266 507 P C -0.487 176.827 177.300 0.024 0.000 1.195 507 P CA -0.044 63.041 63.100 -0.025 0.000 0.768 507 P CB 0.591 32.289 31.700 -0.003 0.000 0.838 508 A N 2.931 125.751 122.820 0.001 0.000 2.346 508 A HA 0.577 4.896 4.320 -0.001 0.000 0.255 508 A C 1.107 178.705 177.584 0.022 0.000 1.113 508 A CA 0.701 52.744 52.037 0.010 0.000 0.798 508 A CB -0.981 18.017 19.000 -0.003 0.000 1.073 508 A HN 0.810 nan 8.150 nan 0.000 0.502 509 G N -0.482 108.333 108.800 0.024 0.000 2.488 509 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.237 509 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.237 509 G C 0.997 175.925 174.900 0.047 0.000 1.209 509 G CA 0.748 45.868 45.100 0.033 0.000 0.929 509 G HN 0.961 nan 8.290 nan 0.000 0.578 510 R N -0.348 120.188 120.500 0.059 0.000 2.083 510 R HA -0.089 4.251 4.340 -0.001 0.000 0.237 510 R C 2.882 179.239 176.300 0.094 0.000 1.137 510 R CA 2.692 58.838 56.100 0.076 0.000 0.951 510 R CB -0.879 29.469 30.300 0.081 0.000 0.851 510 R HN 0.637 nan 8.270 nan 0.000 0.434 511 T N -0.047 114.566 114.554 0.098 0.000 2.746 511 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 511 T C 1.933 176.682 174.700 0.082 0.000 1.039 511 T CA 1.728 63.899 62.100 0.119 0.000 1.142 511 T CB -0.132 68.828 68.868 0.154 0.000 0.866 511 T HN 0.252 nan 8.240 nan 0.000 0.444 512 S N 0.696 116.430 115.700 0.056 0.000 2.357 512 S HA -0.024 4.445 4.470 -0.001 0.000 0.221 512 S C 2.030 176.635 174.600 0.009 0.000 1.031 512 S CA 0.950 59.152 58.200 0.004 0.000 0.982 512 S CB -0.207 62.992 63.200 -0.002 0.000 0.853 512 S HN 0.532 nan 8.310 nan 0.000 0.458 513 K N 1.438 121.860 120.400 0.037 0.000 2.103 513 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 513 K C 1.772 178.424 176.600 0.088 0.000 1.048 513 K CA 1.519 57.837 56.287 0.051 0.000 0.930 513 K CB -0.117 32.418 32.500 0.058 0.000 0.716 513 K HN 0.375 nan 8.250 nan 0.000 0.444 514 E N -0.114 120.163 120.200 0.127 0.000 2.106 514 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 514 E C 1.975 178.654 176.600 0.131 0.000 0.984 514 E CA 0.902 57.436 56.400 0.223 0.000 0.806 514 E CB -0.070 29.805 29.700 0.291 0.000 0.750 514 E HN 0.473 nan 8.360 nan 0.000 0.458 515 A N 1.277 124.141 122.820 0.073 0.000 1.930 515 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 515 A C 2.056 179.689 177.584 0.082 0.000 1.175 515 A CA 1.606 53.674 52.037 0.051 0.000 0.627 515 A CB -0.273 18.718 19.000 -0.015 0.000 0.815 515 A HN 0.113 nan 8.150 nan 0.000 0.443 516 E N 0.584 120.820 120.200 0.060 0.000 2.072 516 E HA -0.139 4.210 4.350 -0.001 0.000 0.190 516 E C 1.288 177.865 176.600 -0.038 0.000 0.982 516 E CA 1.418 57.857 56.400 0.064 0.000 0.803 516 E CB -0.286 29.431 29.700 0.029 0.000 0.755 516 E HN 0.488 nan 8.360 nan 0.000 0.453 517 D N -0.064 120.313 120.400 -0.039 0.000 2.149 517 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 517 D C 1.892 177.969 176.300 -0.372 0.000 0.990 517 D CA 1.183 55.152 54.000 -0.052 0.000 0.839 517 D CB -0.303 40.591 40.800 0.157 0.000 0.948 517 D HN 0.317 nan 8.370 nan 0.000 0.460 518 M N -0.358 118.801 119.600 -0.735 0.000 2.117 518 M HA -0.195 4.284 4.480 -0.001 0.000 0.262 518 M C 2.037 177.942 176.300 -0.659 0.000 1.065 518 M CA 1.155 55.683 55.300 -1.285 0.000 1.114 518 M CB 0.003 31.980 32.600 -1.037 0.000 1.361 518 M HN -0.039 nan 8.290 nan 0.000 0.408 519 M N 0.484 119.807 119.600 -0.462 0.000 2.073 519 M HA -0.180 4.299 4.480 -0.001 0.000 0.258 519 M C 1.827 177.926 176.300 -0.335 0.000 1.070 519 M CA 2.500 57.534 55.300 -0.444 0.000 1.103 519 M CB -1.055 31.343 32.600 -0.338 0.000 1.321 519 M HN 0.275 nan 8.290 nan 0.000 0.405 520 T N -0.115 114.307 114.554 -0.219 0.000 2.746 520 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 520 T C 1.498 176.137 174.700 -0.102 0.000 1.039 520 T CA 1.784 63.808 62.100 -0.127 0.000 1.142 520 T CB -0.613 68.223 68.868 -0.053 0.000 0.866 520 T HN 0.539 nan 8.240 nan 0.000 0.444 521 D N 0.551 120.895 120.400 -0.093 0.000 2.117 521 D HA -0.067 4.573 4.640 -0.001 0.000 0.197 521 D C 2.073 178.383 176.300 0.016 0.000 0.987 521 D CA 0.878 54.934 54.000 0.094 0.000 0.829 521 D CB -0.225 40.769 40.800 0.324 0.000 0.961 521 D HN 0.285 nan 8.370 nan 0.000 0.460 522 M N -0.437 118.930 119.600 -0.389 0.000 2.117 522 M HA -0.177 4.302 4.480 -0.001 0.000 0.262 522 M C 1.912 177.930 176.300 -0.470 0.000 1.065 522 M CA 1.386 56.199 55.300 -0.813 0.000 1.114 522 M CB -0.138 31.696 32.600 -1.276 0.000 1.361 522 M HN 0.210 nan 8.290 nan 0.000 0.408 523 C N -0.457 118.663 119.300 -0.299 0.000 2.425 523 C HA -0.093 4.366 4.460 -0.001 0.000 0.277 523 C C 2.653 177.551 174.990 -0.154 0.000 1.280 523 C CA 0.713 59.652 59.018 -0.131 0.000 1.744 523 C CB -1.035 26.681 27.740 -0.040 0.000 1.989 523 C HN 0.492 nan 8.230 nan 0.000 0.491 524 V N 0.524 120.380 119.914 -0.097 0.000 2.379 524 V HA -0.244 3.876 4.120 -0.001 0.000 0.245 524 V C 2.405 178.484 176.094 -0.025 0.000 1.044 524 V CA 2.071 64.346 62.300 -0.041 0.000 1.036 524 V CB -0.611 31.235 31.823 0.039 0.000 0.664 524 V HN 0.585 nan 8.190 nan 0.000 0.453 525 M N 0.704 120.319 119.600 0.024 0.000 2.123 525 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 525 M C 2.488 178.678 176.300 -0.184 0.000 1.069 525 M CA 2.295 57.684 55.300 0.148 0.000 1.133 525 M CB -0.184 32.667 32.600 0.418 0.000 1.356 525 M HN 0.531 nan 8.290 nan 0.000 0.415 526 S N 0.554 115.820 115.700 -0.724 0.000 2.419 526 S HA -0.059 4.411 4.470 -0.001 0.000 0.233 526 S C 1.927 176.148 174.600 -0.632 0.000 1.016 526 S CA 0.991 58.339 58.200 -1.420 0.000 0.974 526 S CB -0.824 61.297 63.200 -1.797 0.000 0.786 526 S HN 0.572 nan 8.310 nan 0.000 0.492 527 A N 1.941 124.500 122.820 -0.435 0.000 2.067 527 A HA 0.057 4.376 4.320 -0.001 0.000 0.219 527 A C 2.144 179.617 177.584 -0.185 0.000 1.158 527 A CA 1.118 52.952 52.037 -0.338 0.000 0.661 527 A CB -0.484 18.335 19.000 -0.301 0.000 0.801 527 A HN 0.617 nan 8.150 nan 0.000 0.452 528 K N -0.558 119.777 120.400 -0.107 0.000 2.362 528 K HA 0.018 4.337 4.320 -0.001 0.000 0.200 528 K C 1.119 177.728 176.600 0.015 0.000 1.046 528 K CA 0.766 57.037 56.287 -0.027 0.000 0.952 528 K CB -0.008 32.514 32.500 0.037 0.000 0.753 528 K HN 0.407 nan 8.250 nan 0.000 0.466 529 I N -0.837 119.758 120.570 0.042 0.000 3.039 529 I HA 0.151 4.321 4.170 -0.001 0.000 0.270 529 I C 1.132 177.281 176.117 0.053 0.000 1.150 529 I CA 0.589 61.964 61.300 0.124 0.000 1.448 529 I CB 0.106 38.322 38.000 0.359 0.000 1.197 529 I HN 0.102 nan 8.210 nan 0.000 0.450 530 G N -0.606 108.173 108.800 -0.035 0.000 2.441 530 G HA2 0.473 4.433 3.960 -0.001 0.000 0.294 530 G HA3 0.473 4.433 3.960 -0.001 0.000 0.294 530 G C -0.780 173.984 174.900 -0.226 0.000 1.393 530 G CA -0.116 44.934 45.100 -0.084 0.000 0.796 530 G HN 0.264 nan 8.290 nan 0.000 0.494 531 G N -1.123 107.540 108.800 -0.229 0.000 2.537 531 G HA2 0.558 4.517 3.960 -0.001 0.000 0.273 531 G HA3 0.558 4.517 3.960 -0.001 0.000 0.273 531 G C -0.289 174.440 174.900 -0.286 0.000 1.189 531 G CA -0.546 44.324 45.100 -0.383 0.000 0.881 531 G HN 0.429 nan 8.290 nan 0.000 0.535 532 F N -0.614 119.247 119.950 -0.149 0.000 2.602 532 F HA 0.148 4.675 4.527 -0.001 0.000 0.367 532 F C 0.797 176.537 175.800 -0.101 0.000 1.126 532 F CA -0.625 57.282 58.000 -0.156 0.000 1.321 532 F CB 0.524 39.419 39.000 -0.176 0.000 1.094 532 F HN 0.196 nan 8.300 nan 0.000 0.594 533 L N 6.099 127.389 121.223 0.111 0.000 2.361 533 L HA 0.392 4.731 4.340 -0.001 0.000 0.278 533 L C -2.394 174.494 176.870 0.030 0.000 1.113 533 L CA -1.675 53.196 54.840 0.051 0.000 0.849 533 L CB 0.091 42.173 42.059 0.038 0.000 1.155 533 L HN 0.273 nan 8.230 nan 0.000 0.452 534 P HA 0.198 nan 4.420 nan 0.000 0.265 534 P C 0.630 177.933 177.300 0.004 0.000 1.193 534 P CA 0.955 64.062 63.100 0.012 0.000 0.765 534 P CB 0.783 32.491 31.700 0.014 0.000 0.823 535 G N 2.014 110.807 108.800 -0.010 0.000 2.225 535 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.254 535 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.254 535 G C 0.371 175.267 174.900 -0.006 0.000 0.988 535 G CA 0.243 45.343 45.100 -0.001 0.000 0.625 535 G HN 0.526 nan 8.290 nan 0.000 0.527 536 S N 0.775 116.444 115.700 -0.051 0.000 2.526 536 S HA 0.532 5.001 4.470 -0.001 0.000 0.220 536 S C 0.371 174.807 174.600 -0.273 0.000 1.159 536 S CA -0.572 57.548 58.200 -0.133 0.000 1.196 536 S CB 0.413 63.527 63.200 -0.142 0.000 1.225 536 S HN 0.473 nan 8.310 nan 0.000 0.432 537 L N 2.572 123.638 121.223 -0.262 0.000 2.466 537 L HA 0.371 4.711 4.340 -0.001 0.000 0.257 537 L C -2.015 174.528 176.870 -0.546 0.000 1.189 537 L CA -2.184 52.392 54.840 -0.439 0.000 0.813 537 L CB 0.041 41.914 42.059 -0.311 0.000 1.118 537 L HN 0.086 nan 8.230 nan 0.000 0.471 538 P HA 0.041 nan 4.420 nan 0.000 0.267 538 P C -1.544 175.498 177.300 -0.429 0.000 1.205 538 P CA -0.033 62.678 63.100 -0.649 0.000 0.765 538 P CB 0.647 31.878 31.700 -0.783 0.000 0.828 539 Q N 1.867 121.446 119.800 -0.369 0.000 2.391 539 Q HA 0.450 4.789 4.340 -0.001 0.000 0.279 539 Q C -1.343 174.473 176.000 -0.306 0.000 1.028 539 Q CA -0.884 54.774 55.803 -0.242 0.000 0.836 539 Q CB 0.716 29.374 28.738 -0.132 0.000 1.414 539 Q HN 0.105 nan 8.270 nan 0.000 0.397 540 F N 1.922 121.772 119.950 -0.166 0.000 2.529 540 F HA 0.192 4.718 4.527 -0.001 0.000 0.365 540 F C 0.707 176.410 175.800 -0.163 0.000 1.102 540 F CA -0.073 57.824 58.000 -0.172 0.000 1.271 540 F CB 0.648 39.547 39.000 -0.168 0.000 1.120 540 F HN 0.401 nan 8.300 nan 0.000 0.579 541 M N 1.573 121.129 119.600 -0.073 0.000 2.227 541 M HA 0.173 4.653 4.480 -0.001 0.000 0.316 541 M C 0.095 176.345 176.300 -0.084 0.000 1.144 541 M CA -0.911 54.282 55.300 -0.180 0.000 1.121 541 M CB 0.461 32.802 32.600 -0.432 0.000 1.440 541 M HN 0.433 nan 8.290 nan 0.000 0.473 542 E N 2.102 122.233 120.200 -0.114 0.000 2.529 542 E HA 0.063 4.412 4.350 -0.001 0.000 0.259 542 E C -2.216 174.357 176.600 -0.046 0.000 0.966 542 E CA -0.765 55.598 56.400 -0.061 0.000 0.937 542 E CB -0.476 29.180 29.700 -0.074 0.000 0.923 542 E HN 0.216 nan 8.360 nan 0.000 0.468 543 P HA 0.004 nan 4.420 nan 0.000 0.258 543 P C 0.671 177.867 177.300 -0.174 0.000 1.187 543 P CA 1.134 64.228 63.100 -0.011 0.000 0.767 543 P CB 0.480 32.161 31.700 -0.031 0.000 0.770 544 G N 2.704 111.413 108.800 -0.153 0.000 2.194 544 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.236 544 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.236 544 G C 0.723 175.573 174.900 -0.083 0.000 0.987 544 G CA -0.043 44.945 45.100 -0.187 0.000 0.635 544 G HN 0.483 nan 8.290 nan 0.000 0.520 545 L N 0.960 122.138 121.223 -0.075 0.000 2.261 545 L HA 0.130 4.469 4.340 -0.001 0.000 0.216 545 L C 2.775 179.664 176.870 0.031 0.000 1.114 545 L CA 2.264 57.086 54.840 -0.029 0.000 0.777 545 L CB -0.470 41.509 42.059 -0.133 0.000 0.910 545 L HN 0.441 nan 8.230 nan 0.000 0.440 546 V N -0.665 119.235 119.914 -0.023 0.000 2.871 546 V HA -0.050 4.070 4.120 -0.001 0.000 0.256 546 V C 1.539 177.585 176.094 -0.080 0.000 1.082 546 V CA 0.459 62.727 62.300 -0.053 0.000 1.105 546 V CB -0.162 31.629 31.823 -0.053 0.000 0.713 546 V HN 0.439 nan 8.190 nan 0.000 0.473 547 L N 0.648 121.897 121.223 0.043 0.000 3.660 547 L HA -0.258 4.081 4.340 -0.001 0.000 0.440 547 L C 0.356 177.444 176.870 0.365 0.000 1.262 547 L CA 0.870 55.810 54.840 0.167 0.000 0.837 547 L CB -2.273 39.922 42.059 0.227 0.000 1.689 547 L HN 0.566 nan 8.230 nan 0.000 0.890 548 H N -0.867 118.324 119.070 0.203 0.000 2.510 548 H HA 0.257 4.812 4.556 -0.001 0.000 0.266 548 H C 0.569 176.040 175.328 0.238 0.000 1.146 548 H CA -1.090 55.112 56.048 0.258 0.000 0.993 548 H CB 0.720 30.665 29.762 0.306 0.000 1.727 548 H HN 0.215 nan 8.280 nan 0.000 0.590 549 L N 1.969 123.348 121.223 0.261 0.000 2.578 549 L HA 0.153 4.493 4.340 -0.001 0.000 0.279 549 L C 0.597 177.606 176.870 0.232 0.000 1.227 549 L CA 0.860 55.805 54.840 0.175 0.000 0.900 549 L CB 0.325 42.458 42.059 0.123 0.000 1.144 549 L HN 0.279 nan 8.230 nan 0.000 0.496 550 G N 1.849 110.791 108.800 0.237 0.000 2.680 550 G HA2 0.544 4.503 3.960 -0.001 0.000 0.290 550 G HA3 0.544 4.503 3.960 -0.001 0.000 0.290 550 G C 0.292 175.298 174.900 0.178 0.000 1.355 550 G CA -0.277 44.979 45.100 0.259 0.000 0.903 550 G HN 1.317 nan 8.290 nan 0.000 0.474 551 G N -1.143 107.731 108.800 0.123 0.000 2.179 551 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 551 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 551 G C 1.395 176.360 174.900 0.109 0.000 0.977 551 G CA 1.579 46.756 45.100 0.128 0.000 0.641 551 G HN 1.923 nan 8.290 nan 0.000 0.533 552 T N -1.814 112.761 114.554 0.034 0.000 2.995 552 T HA 0.147 4.497 4.350 -0.001 0.000 0.269 552 T C 1.036 175.811 174.700 0.125 0.000 1.091 552 T CA 1.792 63.946 62.100 0.090 0.000 1.128 552 T CB -0.299 68.628 68.868 0.099 0.000 0.891 552 T HN 1.425 nan 8.240 nan 0.000 0.492 553 H N 0.010 119.149 119.070 0.115 0.000 2.514 553 H HA 0.484 5.039 4.556 -0.001 0.000 0.226 553 H C -0.079 175.286 175.328 0.062 0.000 1.421 553 H CA -1.318 54.773 56.048 0.071 0.000 1.394 553 H CB -0.188 29.581 29.762 0.011 0.000 1.701 553 H HN 0.333 nan 8.280 nan 0.000 0.515 554 R N 0.980 121.555 120.500 0.126 0.000 2.641 554 R HA 0.286 4.625 4.340 -0.001 0.000 0.269 554 R C -0.395 175.951 176.300 0.077 0.000 1.074 554 R CA -0.722 55.423 56.100 0.075 0.000 1.133 554 R CB 0.972 31.309 30.300 0.061 0.000 1.029 554 R HN 0.475 nan 8.270 nan 0.000 0.488 555 M N 1.646 121.269 119.600 0.037 0.000 2.235 555 M HA 0.372 4.851 4.480 -0.001 0.000 0.351 555 M C -0.381 175.899 176.300 -0.032 0.000 1.178 555 M CA 0.434 55.730 55.300 -0.007 0.000 1.143 555 M CB 1.294 33.869 32.600 -0.042 0.000 1.530 555 M HN 0.967 nan 8.290 nan 0.000 0.461 556 G N 2.270 111.054 108.800 -0.026 0.000 2.600 556 G HA2 0.426 4.385 3.960 -0.001 0.000 0.293 556 G HA3 0.426 4.385 3.960 -0.001 0.000 0.293 556 G C -0.865 173.992 174.900 -0.072 0.000 1.408 556 G CA -0.669 44.366 45.100 -0.107 0.000 0.782 556 G HN 0.650 nan 8.290 nan 0.000 0.482 557 F N -0.074 119.962 119.950 0.144 0.000 2.234 557 F HA 0.263 4.789 4.527 -0.001 0.000 0.296 557 F C 1.081 176.983 175.800 0.170 0.000 1.089 557 F CA 0.975 59.060 58.000 0.142 0.000 1.343 557 F CB 0.371 39.418 39.000 0.079 0.000 1.040 557 F HN 0.398 nan 8.300 nan 0.000 0.498 558 D N -1.094 119.453 120.400 0.244 0.000 2.863 558 D HA 0.125 4.765 4.640 -0.001 0.000 0.245 558 D C 0.684 176.855 176.300 -0.216 0.000 1.211 558 D CA -0.254 53.752 54.000 0.010 0.000 0.888 558 D CB 1.302 42.123 40.800 0.035 0.000 1.483 558 D HN 0.074 nan 8.370 nan 0.000 0.533 559 E N 2.749 122.511 120.200 -0.730 0.000 2.070 559 E HA -0.268 4.081 4.350 -0.001 0.000 0.197 559 E C 0.954 177.381 176.600 -0.288 0.000 1.004 559 E CA 1.470 57.385 56.400 -0.809 0.000 0.805 559 E CB 0.312 29.340 29.700 -1.120 0.000 0.744 559 E HN 0.418 nan 8.360 nan 0.000 0.451 560 K N -0.057 120.216 120.400 -0.212 0.000 2.044 560 K HA -0.060 4.259 4.320 -0.001 0.000 0.204 560 K C 2.238 178.807 176.600 -0.052 0.000 1.049 560 K CA 1.239 57.469 56.287 -0.095 0.000 0.945 560 K CB 0.015 32.472 32.500 -0.072 0.000 0.724 560 K HN 0.104 nan 8.250 nan 0.000 0.440 561 E N 0.691 120.865 120.200 -0.043 0.000 2.150 561 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 561 E C 0.619 177.219 176.600 -0.001 0.000 0.985 561 E CA 0.950 57.347 56.400 -0.005 0.000 0.814 561 E CB 0.201 29.913 29.700 0.019 0.000 0.752 561 E HN 0.261 nan 8.360 nan 0.000 0.466 562 D N 0.118 120.510 120.400 -0.013 0.000 2.402 562 D HA 0.052 4.691 4.640 -0.001 0.000 0.216 562 D C -0.701 175.535 176.300 -0.106 0.000 1.128 562 D CA -0.046 53.938 54.000 -0.026 0.000 0.833 562 D CB 0.102 40.918 40.800 0.027 0.000 0.971 562 D HN 0.077 nan 8.370 nan 0.000 0.503 563 N N 0.926 119.566 118.700 -0.101 0.000 2.650 563 N HA -0.198 4.541 4.740 -0.001 0.000 0.272 563 N C -0.213 175.221 175.510 -0.125 0.000 1.058 563 N CA 0.569 53.545 53.050 -0.123 0.000 0.765 563 N CB -1.281 37.045 38.487 -0.268 0.000 0.902 563 N HN 0.419 nan 8.380 nan 0.000 0.551 564 C N -3.058 116.243 119.300 0.002 0.000 3.318 564 C HA 0.775 5.235 4.460 -0.001 0.000 0.329 564 C C 1.280 176.433 174.990 0.270 0.000 1.449 564 C CA -0.679 58.407 59.018 0.114 0.000 1.397 564 C CB 1.557 29.380 27.740 0.137 0.000 1.810 564 C HN 0.525 nan 8.230 nan 0.000 0.449 565 C N 0.209 119.699 119.300 0.318 0.000 3.294 565 C HA 0.499 4.959 4.460 -0.001 0.000 0.441 565 C C 0.629 175.702 174.990 0.139 0.000 1.364 565 C CA 0.599 59.798 59.018 0.303 0.000 2.059 565 C CB -0.309 27.534 27.740 0.170 0.000 2.925 565 C HN 0.956 nan 8.230 nan 0.000 0.633 566 V N 1.241 121.125 119.914 -0.050 0.000 3.001 566 V HA 0.718 4.837 4.120 -0.001 0.000 0.314 566 V C -0.842 174.900 176.094 -0.586 0.000 1.099 566 V CA -0.636 61.391 62.300 -0.456 0.000 0.989 566 V CB 1.579 33.269 31.823 -0.222 0.000 1.040 566 V HN 0.396 nan 8.190 nan 0.000 0.434 567 N N 0.588 118.812 118.700 -0.794 0.000 2.495 567 N HA 0.281 5.020 4.740 -0.001 0.000 0.294 567 N C 0.977 176.348 175.510 -0.232 0.000 1.276 567 N CA 0.132 52.941 53.050 -0.400 0.000 0.973 567 N CB -0.024 38.265 38.487 -0.331 0.000 1.143 567 N HN 0.926 nan 8.380 nan 0.000 0.589 568 T N -4.696 109.769 114.554 -0.149 0.000 3.163 568 T HA 0.040 4.389 4.350 -0.001 0.000 0.260 568 T C -0.066 174.555 174.700 -0.132 0.000 1.156 568 T CA 0.483 62.494 62.100 -0.149 0.000 1.072 568 T CB -0.433 68.368 68.868 -0.113 0.000 0.937 568 T HN 0.446 nan 8.240 nan 0.000 0.528 569 D N 0.957 121.265 120.400 -0.153 0.000 2.368 569 D HA 0.202 4.842 4.640 -0.001 0.000 0.218 569 D C 0.445 176.736 176.300 -0.016 0.000 1.112 569 D CA -0.010 53.916 54.000 -0.122 0.000 0.834 569 D CB 0.256 40.867 40.800 -0.313 0.000 0.953 569 D HN 0.314 nan 8.370 nan 0.000 0.505 570 S N 0.467 116.126 115.700 -0.068 0.000 3.521 570 S HA -0.262 4.208 4.470 -0.001 0.000 0.328 570 S C 0.554 175.106 174.600 -0.080 0.000 1.165 570 S CA 0.541 58.734 58.200 -0.012 0.000 0.941 570 S CB -1.326 61.950 63.200 0.127 0.000 0.951 570 S HN 0.475 nan 8.310 nan 0.000 0.539 571 R N 1.060 121.369 120.500 -0.318 0.000 2.312 571 R HA 0.487 4.826 4.340 -0.001 0.000 0.311 571 R C -0.092 175.863 176.300 -0.575 0.000 1.004 571 R CA -0.508 55.200 56.100 -0.652 0.000 0.902 571 R CB 0.766 30.622 30.300 -0.740 0.000 1.073 571 R HN 0.126 nan 8.270 nan 0.000 0.457 572 V N 6.161 125.783 119.914 -0.487 0.000 2.493 572 V HA -0.012 4.107 4.120 -0.001 0.000 0.292 572 V C 0.182 176.200 176.094 -0.127 0.000 1.016 572 V CA 0.310 62.421 62.300 -0.315 0.000 1.097 572 V CB -0.317 31.318 31.823 -0.314 0.000 0.947 572 V HN 0.560 nan 8.190 nan 0.000 0.479 573 F N 3.776 123.754 119.950 0.047 0.000 2.623 573 F HA 0.377 4.903 4.527 -0.001 0.000 0.383 573 F C 1.599 177.514 175.800 0.191 0.000 1.077 573 F CA 1.462 59.513 58.000 0.085 0.000 1.268 573 F CB -0.113 38.933 39.000 0.076 0.000 1.053 573 F HN 0.792 nan 8.300 nan 0.000 0.571 574 G N 2.081 111.038 108.800 0.261 0.000 2.225 574 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.254 574 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.254 574 G C -0.167 174.582 174.900 -0.251 0.000 0.988 574 G CA -0.416 44.701 45.100 0.028 0.000 0.625 574 G HN 0.455 nan 8.290 nan 0.000 0.527 575 F N 0.670 120.641 119.950 0.035 0.000 2.467 575 F HA 0.582 5.108 4.527 -0.001 0.000 0.336 575 F C 1.302 177.092 175.800 -0.016 0.000 1.123 575 F CA -0.808 57.203 58.000 0.018 0.000 0.964 575 F CB 1.833 40.838 39.000 0.008 0.000 1.136 575 F HN -0.129 nan 8.300 nan 0.000 0.447 576 K N 1.289 121.780 120.400 0.152 0.000 2.217 576 K HA -0.059 4.260 4.320 -0.001 0.000 0.202 576 K C 0.706 177.508 176.600 0.337 0.000 1.051 576 K CA 1.066 57.478 56.287 0.209 0.000 0.952 576 K CB 0.079 32.709 32.500 0.217 0.000 0.736 576 K HN 0.581 nan 8.250 nan 0.000 0.453 577 N N 0.200 119.082 118.700 0.304 0.000 2.377 577 N HA 0.050 4.789 4.740 -0.001 0.000 0.259 577 N C -0.913 174.748 175.510 0.252 0.000 1.332 577 N CA -0.316 52.976 53.050 0.404 0.000 0.877 577 N CB 0.160 38.904 38.487 0.429 0.000 1.299 577 N HN -0.054 nan 8.380 nan 0.000 0.501 578 L N 0.504 121.649 121.223 -0.131 0.000 2.356 578 L HA 0.734 5.073 4.340 -0.001 0.000 0.277 578 L C -1.858 174.652 176.870 -0.600 0.000 0.996 578 L CA -0.562 54.169 54.840 -0.182 0.000 0.822 578 L CB 1.060 42.995 42.059 -0.206 0.000 1.256 578 L HN -0.021 nan 8.230 nan 0.000 0.413 579 F N 4.816 124.683 119.950 -0.139 0.000 2.578 579 F HA 0.662 5.188 4.527 -0.001 0.000 0.311 579 F C -0.740 174.909 175.800 -0.252 0.000 1.094 579 F CA -0.677 57.222 58.000 -0.168 0.000 0.923 579 F CB 1.885 40.818 39.000 -0.111 0.000 1.230 579 F HN 0.198 nan 8.300 nan 0.000 0.450 580 L N 1.827 123.006 121.223 -0.074 0.000 2.346 580 L HA 0.918 5.258 4.340 -0.001 0.000 0.274 580 L C 0.008 176.883 176.870 0.008 0.000 1.007 580 L CA -0.893 53.838 54.840 -0.182 0.000 0.818 580 L CB 2.021 43.818 42.059 -0.437 0.000 1.284 580 L HN 0.787 nan 8.230 nan 0.000 0.424 581 G N 0.326 109.136 108.800 0.017 0.000 2.566 581 G HA2 0.777 4.736 3.960 -0.001 0.000 0.311 581 G HA3 0.777 4.736 3.960 -0.001 0.000 0.311 581 G C -0.515 174.500 174.900 0.192 0.000 1.322 581 G CA -0.236 44.973 45.100 0.182 0.000 0.969 581 G HN 0.969 nan 8.290 nan 0.000 0.490 582 G N -0.781 108.138 108.800 0.198 0.000 2.369 582 G HA2 0.140 4.099 3.960 -0.001 0.000 0.295 582 G HA3 0.140 4.099 3.960 -0.001 0.000 0.295 582 G C 0.803 175.760 174.900 0.094 0.000 1.298 582 G CA 0.142 45.331 45.100 0.147 0.000 0.940 582 G HN 1.148 nan 8.290 nan 0.000 0.536 583 C N 0.577 119.912 119.300 0.058 0.000 2.409 583 C HA 0.180 4.640 4.460 -0.001 0.000 0.284 583 C C 3.054 178.030 174.990 -0.023 0.000 1.354 583 C CA 1.689 60.724 59.018 0.028 0.000 1.787 583 C CB -1.397 26.393 27.740 0.084 0.000 1.900 583 C HN 1.279 nan 8.230 nan 0.000 0.520 584 G N 1.320 110.017 108.800 -0.173 0.000 2.479 584 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.220 584 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.220 584 G C 1.402 175.969 174.900 -0.555 0.000 1.115 584 G CA 0.804 45.547 45.100 -0.596 0.000 0.757 584 G HN 0.574 nan 8.290 nan 0.000 0.560 585 N N 0.270 118.839 118.700 -0.219 0.000 2.396 585 N HA 0.028 4.767 4.740 -0.001 0.000 0.180 585 N C 0.807 176.328 175.510 0.018 0.000 1.028 585 N CA 0.187 53.243 53.050 0.010 0.000 0.893 585 N CB 0.091 38.638 38.487 0.099 0.000 0.967 585 N HN 0.314 nan 8.380 nan 0.000 0.440 586 I N 2.776 123.363 120.570 0.029 0.000 2.452 586 I HA 0.070 4.239 4.170 -0.001 0.000 0.287 586 I C -1.374 174.834 176.117 0.151 0.000 1.079 586 I CA -1.171 60.177 61.300 0.079 0.000 1.387 586 I CB 1.431 39.433 38.000 0.004 0.000 1.404 586 I HN -0.093 nan 8.210 nan 0.000 0.522 587 P HA 0.070 nan 4.420 nan 0.000 0.267 587 P C 0.220 177.604 177.300 0.140 0.000 1.289 587 P CA 0.191 63.356 63.100 0.107 0.000 0.866 587 P CB 0.220 31.942 31.700 0.036 0.000 1.309 588 T N -2.296 112.378 114.554 0.199 0.000 2.897 588 T HA 0.687 5.036 4.350 -0.001 0.000 0.278 588 T C 0.190 175.022 174.700 0.220 0.000 0.981 588 T CA -0.876 61.330 62.100 0.177 0.000 0.973 588 T CB 1.099 70.049 68.868 0.136 0.000 1.092 588 T HN 0.052 nan 8.240 nan 0.000 0.543 589 A N 1.713 124.600 122.820 0.112 0.000 2.302 589 A HA 0.602 4.922 4.320 -0.001 0.000 0.295 589 A C -0.640 176.923 177.584 -0.035 0.000 1.235 589 A CA -0.824 51.229 52.037 0.027 0.000 0.876 589 A CB -0.942 18.090 19.000 0.052 0.000 1.133 589 A HN 0.874 nan 8.150 nan 0.000 0.533 590 Y N -0.390 119.829 120.300 -0.136 0.000 2.512 590 Y HA 0.714 5.263 4.550 -0.001 0.000 0.348 590 Y C 0.716 176.488 175.900 -0.214 0.000 0.990 590 Y CA -0.682 57.161 58.100 -0.429 0.000 1.033 590 Y CB 1.431 39.466 38.460 -0.709 0.000 1.259 590 Y HN 0.388 nan 8.280 nan 0.000 0.461 591 G N 0.527 109.245 108.800 -0.137 0.000 2.709 591 G HA2 0.409 4.369 3.960 -0.001 0.000 0.208 591 G HA3 0.409 4.369 3.960 -0.001 0.000 0.208 591 G C 0.414 175.391 174.900 0.127 0.000 1.129 591 G CA 0.214 45.417 45.100 0.171 0.000 0.793 591 G HN 0.946 nan 8.290 nan 0.000 0.524 592 A N 0.666 123.382 122.820 -0.172 0.000 2.296 592 A HA 0.536 4.856 4.320 -0.001 0.000 0.264 592 A C -0.143 177.360 177.584 -0.134 0.000 1.097 592 A CA -0.521 51.308 52.037 -0.346 0.000 0.811 592 A CB 0.140 18.934 19.000 -0.343 0.000 1.072 592 A HN 0.319 nan 8.150 nan 0.000 0.495 593 N N 1.308 119.826 118.700 -0.303 0.000 2.497 593 N HA 0.303 5.042 4.740 -0.001 0.000 0.268 593 N C -2.106 173.340 175.510 -0.107 0.000 1.171 593 N CA -1.127 51.731 53.050 -0.320 0.000 0.948 593 N CB 0.574 38.944 38.487 -0.196 0.000 1.069 593 N HN 0.388 nan 8.380 nan 0.000 0.460 594 P HA 0.038 nan 4.420 nan 0.000 0.252 594 P C 0.421 177.629 177.300 -0.154 0.000 1.218 594 P CA 0.503 63.520 63.100 -0.138 0.000 0.807 594 P CB 0.358 31.955 31.700 -0.172 0.000 1.072 595 T N 1.035 115.579 114.554 -0.018 0.000 2.788 595 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 595 T C 1.755 176.555 174.700 0.165 0.000 1.044 595 T CA 1.014 63.168 62.100 0.089 0.000 1.139 595 T CB -0.741 68.229 68.868 0.170 0.000 0.867 595 T HN 0.020 nan 8.240 nan 0.000 0.454 596 L N 1.028 122.360 121.223 0.181 0.000 2.083 596 L HA -0.067 4.272 4.340 -0.001 0.000 0.209 596 L C 2.522 179.466 176.870 0.123 0.000 1.083 596 L CA 1.702 56.688 54.840 0.243 0.000 0.752 596 L CB -1.055 41.134 42.059 0.217 0.000 0.899 596 L HN 0.170 nan 8.230 nan 0.000 0.433 597 T N -0.243 114.250 114.554 -0.102 0.000 2.684 597 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 597 T C 1.886 176.508 174.700 -0.130 0.000 1.036 597 T CA 1.406 63.353 62.100 -0.255 0.000 1.148 597 T CB -0.527 67.759 68.868 -0.971 0.000 0.863 597 T HN 0.525 nan 8.240 nan 0.000 0.436 598 A N 1.272 124.025 122.820 -0.113 0.000 1.972 598 A HA -0.007 4.312 4.320 -0.001 0.000 0.219 598 A C 2.285 179.842 177.584 -0.045 0.000 1.169 598 A CA 1.675 53.682 52.037 -0.049 0.000 0.635 598 A CB -0.685 18.305 19.000 -0.015 0.000 0.810 598 A HN 0.555 nan 8.150 nan 0.000 0.446 599 M N -0.384 119.191 119.600 -0.041 0.000 2.175 599 M HA -0.112 4.367 4.480 -0.001 0.000 0.264 599 M C 1.988 178.207 176.300 -0.135 0.000 1.063 599 M CA 1.980 57.224 55.300 -0.093 0.000 1.119 599 M CB -0.115 32.415 32.600 -0.117 0.000 1.377 599 M HN 0.348 nan 8.290 nan 0.000 0.415 600 S N 1.253 116.878 115.700 -0.125 0.000 2.355 600 S HA -0.087 4.382 4.470 -0.001 0.000 0.222 600 S C 1.771 176.206 174.600 -0.276 0.000 1.031 600 S CA 1.348 59.418 58.200 -0.217 0.000 0.993 600 S CB -0.530 62.504 63.200 -0.278 0.000 0.859 600 S HN 0.520 nan 8.310 nan 0.000 0.453 601 L N 1.229 122.324 121.223 -0.212 0.000 2.042 601 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 601 L C 2.795 179.552 176.870 -0.190 0.000 1.076 601 L CA 1.313 56.030 54.840 -0.206 0.000 0.749 601 L CB -0.743 41.261 42.059 -0.091 0.000 0.893 601 L HN 0.341 nan 8.230 nan 0.000 0.432 602 A N 0.158 122.865 122.820 -0.188 0.000 1.930 602 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 602 A C 2.194 179.492 177.584 -0.476 0.000 1.175 602 A CA 1.360 53.189 52.037 -0.347 0.000 0.627 602 A CB -0.589 18.195 19.000 -0.359 0.000 0.815 602 A HN 0.351 nan 8.150 nan 0.000 0.443 603 I N -0.467 119.904 120.570 -0.331 0.000 2.226 603 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 603 I C 2.520 178.489 176.117 -0.246 0.000 1.100 603 I CA 1.872 63.007 61.300 -0.275 0.000 1.374 603 I CB -0.212 37.652 38.000 -0.226 0.000 1.057 603 I HN 0.353 nan 8.210 nan 0.000 0.413 604 K N 0.482 120.734 120.400 -0.247 0.000 2.032 604 K HA -0.237 4.082 4.320 -0.001 0.000 0.209 604 K C 2.390 178.912 176.600 -0.129 0.000 1.048 604 K CA 1.899 58.066 56.287 -0.199 0.000 0.927 604 K CB -0.171 32.177 32.500 -0.253 0.000 0.712 604 K HN 0.175 nan 8.250 nan 0.000 0.441 605 S N 0.103 115.717 115.700 -0.143 0.000 2.370 605 S HA -0.186 4.283 4.470 -0.001 0.000 0.226 605 S C 2.099 176.630 174.600 -0.114 0.000 1.033 605 S CA 1.598 59.764 58.200 -0.056 0.000 1.011 605 S CB -0.541 62.675 63.200 0.027 0.000 0.852 605 S HN 0.570 nan 8.310 nan 0.000 0.457 606 C N 1.525 120.662 119.300 -0.271 0.000 2.422 606 C HA 0.003 4.462 4.460 -0.001 0.000 0.279 606 C C 2.513 177.428 174.990 -0.125 0.000 1.305 606 C CA 0.808 59.676 59.018 -0.249 0.000 1.757 606 C CB -1.529 26.020 27.740 -0.320 0.000 1.962 606 C HN 0.689 nan 8.230 nan 0.000 0.499 607 E N -0.674 119.478 120.200 -0.080 0.000 2.106 607 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 607 E C 1.805 178.426 176.600 0.036 0.000 0.984 607 E CA 1.261 57.645 56.400 -0.027 0.000 0.806 607 E CB -0.278 29.400 29.700 -0.037 0.000 0.750 607 E HN 0.840 nan 8.360 nan 0.000 0.458 608 Y N 1.296 121.571 120.300 -0.041 0.000 2.200 608 Y HA -0.187 4.363 4.550 -0.001 0.000 0.290 608 Y C 1.946 177.880 175.900 0.057 0.000 1.137 608 Y CA 1.318 59.436 58.100 0.030 0.000 1.163 608 Y CB -0.041 38.480 38.460 0.102 0.000 0.988 608 Y HN -0.065 nan 8.280 nan 0.000 0.518 609 I N 0.347 120.991 120.570 0.124 0.000 2.163 609 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 609 I C 2.310 178.461 176.117 0.058 0.000 1.085 609 I CA 1.815 63.142 61.300 0.044 0.000 1.347 609 I CB -0.401 37.421 38.000 -0.297 0.000 1.044 609 I HN 0.197 nan 8.210 nan 0.000 0.408 610 K N 0.083 120.484 120.400 0.002 0.000 2.057 610 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 610 K C 2.166 178.811 176.600 0.075 0.000 1.050 610 K CA 1.015 57.371 56.287 0.115 0.000 0.935 610 K CB -0.152 32.404 32.500 0.094 0.000 0.715 610 K HN 0.318 nan 8.250 nan 0.000 0.439 611 Q N 0.289 120.067 119.800 -0.036 0.000 2.291 611 Q HA -0.056 4.283 4.340 -0.001 0.000 0.205 611 Q C 0.984 176.872 176.000 -0.186 0.000 0.970 611 Q CA 0.960 56.701 55.803 -0.103 0.000 0.876 611 Q CB 0.184 28.834 28.738 -0.147 0.000 0.935 611 Q HN 0.366 nan 8.270 nan 0.000 0.455 612 N N -1.508 117.041 118.700 -0.252 0.000 2.159 612 N HA 0.135 4.874 4.740 -0.001 0.000 0.217 612 N C -0.756 174.398 175.510 -0.593 0.000 1.223 612 N CA 0.137 52.905 53.050 -0.470 0.000 0.896 612 N CB 0.904 38.913 38.487 -0.796 0.000 1.064 612 N HN -0.024 nan 8.380 nan 0.000 0.518 613 F N 0.102 120.070 119.950 0.031 0.000 2.613 613 F HA 0.399 4.925 4.527 -0.001 0.000 0.314 613 F C 0.080 176.017 175.800 0.229 0.000 1.075 613 F CA -0.673 57.404 58.000 0.129 0.000 0.945 613 F CB 1.925 41.013 39.000 0.146 0.000 1.310 613 F HN -0.392 nan 8.300 nan 0.000 0.467 614 T N 2.284 117.051 114.554 0.355 0.000 2.807 614 T HA 0.462 4.811 4.350 -0.001 0.000 0.279 614 T C -2.724 171.985 174.700 0.014 0.000 0.993 614 T CA -1.522 60.652 62.100 0.123 0.000 0.970 614 T CB 1.717 70.614 68.868 0.048 0.000 0.950 614 T HN 0.105 nan 8.240 nan 0.000 0.441 615 P HA 0.140 nan 4.420 nan 0.000 0.266 615 P C -0.034 177.198 177.300 -0.112 0.000 1.195 615 P CA -0.349 62.530 63.100 -0.369 0.000 0.768 615 P CB 0.300 31.686 31.700 -0.523 0.000 0.838 616 S N 3.296 118.972 115.700 -0.040 0.000 2.573 616 S HA 0.249 4.718 4.470 -0.001 0.000 0.277 616 S C -2.177 172.415 174.600 -0.015 0.000 1.346 616 S CA -1.033 57.157 58.200 -0.017 0.000 1.034 616 S CB -0.877 62.313 63.200 -0.016 0.000 0.879 616 S HN 0.274 nan 8.310 nan 0.000 0.528 617 P HA 0.095 nan 4.420 nan 0.000 0.265 617 P C -0.641 176.716 177.300 0.095 0.000 1.193 617 P CA -0.308 62.822 63.100 0.050 0.000 0.765 617 P CB -0.010 31.714 31.700 0.041 0.000 0.823 618 F N 4.194 124.129 119.950 -0.026 0.000 2.556 618 F HA 0.078 4.605 4.527 -0.001 0.000 0.344 618 F C 0.586 176.378 175.800 -0.013 0.000 1.255 618 F CA -0.074 57.916 58.000 -0.017 0.000 1.091 618 F CB -0.981 38.009 39.000 -0.016 0.000 1.325 618 F HN 0.210 nan 8.300 nan 0.000 0.627 619 T N 0.000 114.675 114.554 0.202 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 62.198 62.100 0.163 0.000 1.349 619 T CB 0.000 68.894 68.868 0.043 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658