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 4nos_1_A DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEFTQLCID LGWKPKYGRF DVVPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV IHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D 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 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.509 176.300 0.348 0.000 0.893 83 R CA 0.000 56.185 56.100 0.142 0.000 0.921 83 R CB 0.000 30.364 30.300 0.107 0.000 0.687 84 H N -0.496 118.712 119.070 0.231 0.000 2.869 84 H HA 0.847 5.402 4.556 -0.001 0.000 0.342 84 H C -1.294 174.118 175.328 0.139 0.000 1.250 84 H CA -1.162 55.034 56.048 0.247 0.000 1.217 84 H CB 2.010 31.867 29.762 0.159 0.000 1.917 84 H HN 0.311 nan 8.280 nan 0.000 0.586 85 V N 1.736 121.692 119.914 0.069 0.000 2.443 85 V HA 0.291 4.411 4.120 -0.001 0.000 0.293 85 V C 0.230 176.416 176.094 0.153 0.000 1.021 85 V CA -0.771 61.470 62.300 -0.098 0.000 0.848 85 V CB 1.494 33.157 31.823 -0.266 0.000 0.998 85 V HN 0.732 nan 8.190 nan 0.000 0.424 86 R N 5.668 126.245 120.500 0.128 0.000 2.308 86 R HA 0.691 5.030 4.340 -0.001 0.000 0.305 86 R C -0.640 175.677 176.300 0.030 0.000 1.053 86 R CA -0.239 55.960 56.100 0.164 0.000 0.957 86 R CB 0.773 31.191 30.300 0.197 0.000 1.022 86 R HN 0.819 nan 8.270 nan 0.000 0.461 87 I N 0.456 121.013 120.570 -0.021 0.000 3.002 87 I HA 0.671 4.840 4.170 -0.001 0.000 0.310 87 I C -1.258 174.752 176.117 -0.178 0.000 1.087 87 I CA -1.300 59.975 61.300 -0.042 0.000 1.017 87 I CB 2.239 40.256 38.000 0.029 0.000 1.226 87 I HN 0.579 nan 8.210 nan 0.000 0.443 88 K N 1.810 122.064 120.400 -0.243 0.000 2.536 88 K HA 0.414 4.733 4.320 -0.001 0.000 0.269 88 K C -1.779 174.534 176.600 -0.479 0.000 0.965 88 K CA -0.730 55.269 56.287 -0.481 0.000 0.860 88 K CB 2.017 34.073 32.500 -0.739 0.000 1.423 88 K HN 0.682 nan 8.250 nan 0.000 0.438 89 N N 2.595 121.034 118.700 -0.436 0.000 2.437 89 N HA 0.160 4.899 4.740 -0.001 0.000 0.259 89 N C -0.612 174.734 175.510 -0.273 0.000 0.983 89 N CA -0.476 52.462 53.050 -0.187 0.000 0.937 89 N CB 0.464 38.910 38.487 -0.067 0.000 1.122 89 N HN 0.754 nan 8.380 nan 0.000 0.499 90 W N 2.032 123.411 121.300 0.131 0.000 2.937 90 W HA 0.232 4.892 4.660 -0.001 0.000 0.245 90 W C 1.881 178.428 176.519 0.047 0.000 1.306 90 W CA -0.288 57.119 57.345 0.103 0.000 1.470 90 W CB 0.513 30.069 29.460 0.160 0.000 1.132 90 W HN 0.651 nan 8.180 nan 0.000 0.675 91 G N -1.082 107.820 108.800 0.170 0.000 3.159 91 G HA2 0.041 4.001 3.960 -0.001 0.000 0.232 91 G HA3 0.041 4.001 3.960 -0.001 0.000 0.232 91 G C 1.114 176.008 174.900 -0.009 0.000 1.116 91 G CA 0.701 45.786 45.100 -0.024 0.000 0.767 91 G HN 0.197 nan 8.290 nan 0.000 0.547 92 S N -2.584 113.111 115.700 -0.009 0.000 2.692 92 S HA 0.392 4.861 4.470 -0.001 0.000 0.269 92 S C 1.699 176.250 174.600 -0.081 0.000 1.080 92 S CA 1.054 59.232 58.200 -0.037 0.000 1.058 92 S CB 0.438 63.620 63.200 -0.030 0.000 0.982 92 S HN 1.416 nan 8.310 nan 0.000 0.534 93 G N 1.807 110.527 108.800 -0.133 0.000 2.195 93 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.246 93 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.246 93 G C 0.006 174.747 174.900 -0.265 0.000 0.984 93 G CA 0.262 45.247 45.100 -0.192 0.000 0.633 93 G HN 0.675 nan 8.290 nan 0.000 0.525 94 M N 2.494 121.925 119.600 -0.283 0.000 2.238 94 M HA 0.504 4.984 4.480 -0.001 0.000 0.347 94 M C 0.870 176.825 176.300 -0.575 0.000 1.173 94 M CA 1.017 56.079 55.300 -0.398 0.000 1.147 94 M CB 0.606 32.962 32.600 -0.408 0.000 1.547 94 M HN 0.527 nan 8.290 nan 0.000 0.455 95 T N 1.150 115.336 114.554 -0.614 0.000 2.907 95 T HA 0.740 5.089 4.350 -0.001 0.000 0.292 95 T C -0.971 173.296 174.700 -0.721 0.000 1.043 95 T CA -0.767 60.973 62.100 -0.600 0.000 1.003 95 T CB 1.320 69.979 68.868 -0.348 0.000 1.084 95 T HN 0.454 nan 8.240 nan 0.000 0.483 96 F N 0.069 119.835 119.950 -0.307 0.000 2.593 96 F HA 0.572 5.099 4.527 -0.001 0.000 0.320 96 F C 0.088 175.712 175.800 -0.294 0.000 1.060 96 F CA -1.176 56.562 58.000 -0.438 0.000 0.940 96 F CB 2.492 40.835 39.000 -1.095 0.000 1.268 96 F HN 0.570 nan 8.300 nan 0.000 0.475 97 Q N 1.238 121.052 119.800 0.023 0.000 2.454 97 Q HA 0.186 4.525 4.340 -0.001 0.000 0.255 97 Q C -1.316 174.834 176.000 0.250 0.000 1.034 97 Q CA -0.584 55.252 55.803 0.056 0.000 0.736 97 Q CB 1.574 30.091 28.738 -0.368 0.000 1.210 97 Q HN 0.410 nan 8.270 nan 0.000 0.500 98 D N 1.720 122.331 120.400 0.351 0.000 2.358 98 D HA 0.011 4.650 4.640 -0.001 0.000 0.258 98 D C 0.562 177.081 176.300 0.365 0.000 1.223 98 D CA 0.458 54.720 54.000 0.437 0.000 0.886 98 D CB 1.179 42.206 40.800 0.379 0.000 1.120 98 D HN 0.611 nan 8.370 nan 0.000 0.482 99 T N 1.051 115.769 114.554 0.273 0.000 2.978 99 T HA -0.051 4.298 4.350 -0.001 0.000 0.248 99 T C 1.934 176.622 174.700 -0.020 0.000 1.018 99 T CA -0.315 61.903 62.100 0.198 0.000 1.026 99 T CB 0.024 69.017 68.868 0.209 0.000 1.032 99 T HN 0.233 nan 8.240 nan 0.000 0.485 100 L N 3.370 124.584 121.223 -0.014 0.000 2.081 100 L HA -0.153 4.187 4.340 -0.001 0.000 0.212 100 L C 2.618 179.314 176.870 -0.290 0.000 1.080 100 L CA 1.989 56.787 54.840 -0.071 0.000 0.754 100 L CB -0.960 41.114 42.059 0.025 0.000 0.893 100 L HN 0.600 nan 8.230 nan 0.000 0.433 101 H N -2.256 116.375 119.070 -0.733 0.000 2.539 101 H HA -0.209 4.347 4.556 -0.000 0.000 0.292 101 H C 1.638 176.611 175.328 -0.592 0.000 1.069 101 H CA 1.967 57.329 56.048 -1.144 0.000 1.244 101 H CB -0.944 28.099 29.762 -1.199 0.000 1.365 101 H HN 0.596 nan 8.280 nan 0.000 0.575 102 H N 0.980 119.626 119.070 -0.706 0.000 2.470 102 H HA 0.077 4.633 4.556 -0.000 0.000 0.289 102 H C 1.673 176.873 175.328 -0.214 0.000 1.033 102 H CA 0.969 56.742 56.048 -0.458 0.000 1.331 102 H CB 0.336 29.862 29.762 -0.393 0.000 1.414 102 H HN 0.366 nan 8.280 nan 0.000 0.545 103 K N 0.679 121.039 120.400 -0.068 0.000 2.444 103 K HA 0.238 4.557 4.320 -0.001 0.000 0.193 103 K C 0.683 177.291 176.600 0.014 0.000 1.024 103 K CA 0.034 56.317 56.287 -0.007 0.000 1.077 103 K CB 0.745 33.251 32.500 0.010 0.000 0.833 103 K HN 0.147 nan 8.250 nan 0.000 0.517 104 A N 1.905 124.722 122.820 -0.004 0.000 2.386 104 A HA 0.125 4.445 4.320 -0.001 0.000 0.246 104 A C -0.236 177.364 177.584 0.027 0.000 1.089 104 A CA -0.154 51.924 52.037 0.068 0.000 0.790 104 A CB 0.279 19.355 19.000 0.126 0.000 1.042 104 A HN 0.130 nan 8.150 nan 0.000 0.497 105 K N 0.599 121.008 120.400 0.014 0.000 2.234 105 K HA 0.331 4.651 4.320 -0.001 0.000 0.282 105 K C 0.571 177.175 176.600 0.007 0.000 1.039 105 K CA 0.234 56.525 56.287 0.007 0.000 0.928 105 K CB 1.115 33.615 32.500 -0.001 0.000 1.039 105 K HN 0.738 nan 8.250 nan 0.000 0.470 106 G N 3.675 112.482 108.800 0.013 0.000 3.008 106 G HA2 0.155 4.114 3.960 -0.001 0.000 0.272 106 G HA3 0.155 4.114 3.960 -0.001 0.000 0.272 106 G C 0.694 175.603 174.900 0.015 0.000 0.764 106 G CA -0.113 44.996 45.100 0.016 0.000 2.029 106 G HN 0.764 nan 8.290 nan 0.000 0.587 107 I N -1.541 119.036 120.570 0.012 0.000 4.240 107 I HA 0.404 4.574 4.170 -0.001 0.000 0.331 107 I C 0.366 176.496 176.117 0.022 0.000 1.381 107 I CA -0.467 60.842 61.300 0.016 0.000 1.136 107 I CB 0.139 38.151 38.000 0.019 0.000 1.137 107 I HN -0.027 nan 8.210 nan 0.000 0.411 108 L N 2.505 123.742 121.223 0.022 0.000 2.461 108 L HA 0.146 4.485 4.340 -0.001 0.000 0.272 108 L C 1.610 178.501 176.870 0.035 0.000 1.197 108 L CA 0.191 55.050 54.840 0.032 0.000 0.836 108 L CB 1.016 43.099 42.059 0.040 0.000 1.105 108 L HN 0.319 nan 8.230 nan 0.000 0.477 109 T N -2.860 111.718 114.554 0.039 0.000 3.169 109 T HA 0.071 4.421 4.350 -0.001 0.000 0.250 109 T C 0.524 175.245 174.700 0.034 0.000 1.111 109 T CA -0.421 61.701 62.100 0.036 0.000 1.010 109 T CB -0.507 68.384 68.868 0.039 0.000 0.984 109 T HN 0.463 nan 8.240 nan 0.000 0.537 110 C N 3.274 122.595 119.300 0.036 0.000 2.627 110 C HA 0.569 5.028 4.460 -0.001 0.000 0.404 110 C C 0.932 175.937 174.990 0.026 0.000 1.340 110 C CA -0.936 58.101 59.018 0.032 0.000 1.758 110 C CB -1.014 26.747 27.740 0.036 0.000 2.501 110 C HN 0.611 nan 8.230 nan 0.000 0.588 111 R N 1.998 122.511 120.500 0.022 0.000 2.893 111 R HA 0.473 4.812 4.340 -0.001 0.000 0.245 111 R C 1.274 177.583 176.300 0.014 0.000 1.192 111 R CA -0.354 55.757 56.100 0.018 0.000 1.077 111 R CB 0.248 30.558 30.300 0.016 0.000 1.253 111 R HN 0.653 nan 8.270 nan 0.000 0.505 112 S N -0.236 115.471 115.700 0.012 0.000 2.423 112 S HA -0.156 4.314 4.470 -0.001 0.000 0.231 112 S C 1.539 176.143 174.600 0.006 0.000 1.014 112 S CA 1.084 59.289 58.200 0.008 0.000 0.965 112 S CB -0.112 63.093 63.200 0.007 0.000 0.785 112 S HN 0.579 nan 8.310 nan 0.000 0.495 113 K N 0.890 121.294 120.400 0.008 0.000 2.426 113 K HA 0.226 4.546 4.320 -0.001 0.000 0.193 113 K C -0.672 175.933 176.600 0.008 0.000 1.028 113 K CA 0.168 56.459 56.287 0.007 0.000 1.047 113 K CB 0.229 32.734 32.500 0.008 0.000 0.821 113 K HN 0.332 nan 8.250 nan 0.000 0.513 114 S N -0.758 114.948 115.700 0.010 0.000 2.556 114 S HA 0.173 4.643 4.470 -0.001 0.000 0.280 114 S C -1.836 172.774 174.600 0.015 0.000 1.141 114 S CA -1.014 57.193 58.200 0.012 0.000 0.883 114 S CB 1.558 64.767 63.200 0.015 0.000 1.103 114 S HN 0.226 nan 8.310 nan 0.000 0.453 115 C N 4.825 124.134 119.300 0.015 0.000 2.319 115 C HA 0.732 5.191 4.460 -0.001 0.000 0.323 115 C C 0.132 175.139 174.990 0.029 0.000 1.277 115 C CA -0.713 58.317 59.018 0.020 0.000 1.517 115 C CB -1.228 26.519 27.740 0.011 0.000 2.206 115 C HN 0.882 nan 8.230 nan 0.000 0.486 116 L N 4.549 125.796 121.223 0.040 0.000 3.209 116 L HA 0.480 4.820 4.340 -0.001 0.000 0.279 116 L C 1.309 178.221 176.870 0.069 0.000 1.301 116 L CA -0.062 54.808 54.840 0.050 0.000 1.004 116 L CB -0.318 41.770 42.059 0.048 0.000 1.402 116 L HN 0.749 nan 8.230 nan 0.000 0.577 117 G N 0.697 109.540 108.800 0.071 0.000 2.559 117 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.216 117 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.216 117 G C 1.376 176.356 174.900 0.134 0.000 1.126 117 G CA 0.960 46.118 45.100 0.098 0.000 0.778 117 G HN 0.599 nan 8.290 nan 0.000 0.543 118 S N -0.067 115.705 115.700 0.120 0.000 2.575 118 S HA 0.288 4.757 4.470 -0.001 0.000 0.215 118 S C 0.813 175.504 174.600 0.152 0.000 0.966 118 S CA -0.530 57.757 58.200 0.145 0.000 0.911 118 S CB 0.083 63.348 63.200 0.107 0.000 0.780 118 S HN 0.034 nan 8.310 nan 0.000 0.514 119 I N 2.381 123.030 120.570 0.132 0.000 2.556 119 I HA 0.144 4.313 4.170 -0.001 0.000 0.284 119 I C 1.456 177.678 176.117 0.175 0.000 1.114 119 I CA 0.121 61.495 61.300 0.124 0.000 1.418 119 I CB 0.214 38.272 38.000 0.095 0.000 1.394 119 I HN 0.343 nan 8.210 nan 0.000 0.552 120 M N 4.171 123.879 119.600 0.179 0.000 2.160 120 M HA -0.046 4.434 4.480 -0.001 0.000 0.264 120 M C 0.556 176.949 176.300 0.155 0.000 1.073 120 M CA 1.536 56.989 55.300 0.254 0.000 1.142 120 M CB 0.291 33.031 32.600 0.234 0.000 1.358 120 M HN 0.597 nan 8.290 nan 0.000 0.422 121 T N 2.795 117.364 114.554 0.025 0.000 3.427 121 T HA 0.347 4.697 4.350 -0.001 0.000 0.306 121 T C -2.441 172.267 174.700 0.014 0.000 1.733 121 T CA -1.117 60.907 62.100 -0.128 0.000 1.599 121 T CB 0.277 68.931 68.868 -0.357 0.000 0.964 121 T HN 0.306 nan 8.240 nan 0.000 0.701 122 P HA 0.163 nan 4.420 nan 0.000 0.271 122 P C 0.718 178.098 177.300 0.133 0.000 1.218 122 P CA -0.358 62.808 63.100 0.111 0.000 0.780 122 P CB 1.482 33.253 31.700 0.120 0.000 0.901 123 K N 1.537 121.991 120.400 0.090 0.000 2.362 123 K HA -0.093 4.226 4.320 -0.001 0.000 0.200 123 K C 1.719 178.382 176.600 0.105 0.000 1.046 123 K CA 1.422 57.760 56.287 0.084 0.000 0.952 123 K CB -0.130 32.398 32.500 0.046 0.000 0.753 123 K HN 0.516 nan 8.250 nan 0.000 0.466 124 S N 0.316 116.081 115.700 0.108 0.000 2.428 124 S HA -0.060 4.410 4.470 -0.001 0.000 0.230 124 S C 1.595 176.300 174.600 0.174 0.000 1.014 124 S CA 0.559 58.821 58.200 0.104 0.000 0.957 124 S CB -0.138 63.105 63.200 0.072 0.000 0.784 124 S HN 0.320 nan 8.310 nan 0.000 0.499 125 L N 1.338 122.702 121.223 0.235 0.000 2.700 125 L HA 0.283 4.623 4.340 -0.001 0.000 0.234 125 L C -0.111 177.069 176.870 0.516 0.000 1.156 125 L CA -0.024 55.017 54.840 0.335 0.000 0.946 125 L CB 0.033 42.253 42.059 0.269 0.000 1.216 125 L HN 0.207 nan 8.230 nan 0.000 0.493 126 T N -0.036 114.751 114.554 0.388 0.000 2.797 126 T HA 0.401 4.751 4.350 -0.001 0.000 0.279 126 T C -0.294 174.469 174.700 0.105 0.000 0.991 126 T CA -0.409 61.873 62.100 0.303 0.000 0.979 126 T CB 2.120 71.103 68.868 0.192 0.000 0.943 126 T HN -0.072 nan 8.240 nan 0.000 0.444 127 R N 2.004 122.524 120.500 0.034 0.000 2.312 127 R HA 0.580 4.919 4.340 -0.001 0.000 0.310 127 R C 0.495 176.760 176.300 -0.058 0.000 1.064 127 R CA -0.314 55.681 56.100 -0.175 0.000 0.983 127 R CB 0.198 30.289 30.300 -0.348 0.000 1.139 127 R HN 0.830 nan 8.270 nan 0.000 0.536 128 G N 2.964 111.728 108.800 -0.061 0.000 2.510 128 G HA2 0.415 4.375 3.960 -0.001 0.000 0.280 128 G HA3 0.415 4.375 3.960 -0.001 0.000 0.280 128 G C -2.076 172.789 174.900 -0.057 0.000 1.386 128 G CA -0.992 44.077 45.100 -0.052 0.000 1.047 128 G HN 0.454 nan 8.290 nan 0.000 0.527 129 P HA 0.437 nan 4.420 nan 0.000 0.277 129 P C -0.386 176.883 177.300 -0.052 0.000 1.271 129 P CA -0.409 62.657 63.100 -0.057 0.000 0.795 129 P CB 0.816 32.478 31.700 -0.063 0.000 1.101 130 R N -0.188 120.282 120.500 -0.051 0.000 2.817 130 R HA 0.357 4.697 4.340 -0.001 0.000 0.268 130 R C -0.547 175.722 176.300 -0.052 0.000 1.027 130 R CA -0.560 55.512 56.100 -0.048 0.000 0.928 130 R CB 1.444 31.717 30.300 -0.045 0.000 1.228 130 R HN 0.336 nan 8.270 nan 0.000 0.469 131 D N -0.371 120.003 120.400 -0.045 0.000 2.399 131 D HA 0.133 4.773 4.640 -0.001 0.000 0.269 131 D C -0.555 175.724 176.300 -0.036 0.000 1.105 131 D CA 0.581 54.552 54.000 -0.047 0.000 0.844 131 D CB 1.034 41.811 40.800 -0.038 0.000 1.372 131 D HN 0.175 nan 8.370 nan 0.000 0.517 132 K N 0.929 121.313 120.400 -0.026 0.000 2.340 132 K HA 0.460 4.780 4.320 -0.001 0.000 0.244 132 K C -2.679 173.913 176.600 -0.013 0.000 0.973 132 K CA -2.101 54.178 56.287 -0.014 0.000 0.828 132 K CB 2.298 34.792 32.500 -0.010 0.000 1.226 132 K HN -0.246 nan 8.250 nan 0.000 0.437 133 P HA -0.027 nan 4.420 nan 0.000 0.269 133 P C -0.706 176.591 177.300 -0.004 0.000 1.217 133 P CA -0.084 63.015 63.100 -0.003 0.000 0.783 133 P CB 0.291 31.996 31.700 0.009 0.000 0.898 134 T N 3.435 117.985 114.554 -0.006 0.000 2.853 134 T HA 0.149 4.499 4.350 -0.001 0.000 0.298 134 T C -2.072 172.635 174.700 0.013 0.000 0.978 134 T CA -0.448 61.652 62.100 -0.001 0.000 1.152 134 T CB -0.794 68.075 68.868 0.002 0.000 0.914 134 T HN 0.317 nan 8.240 nan 0.000 0.539 135 P HA 0.093 nan 4.420 nan 0.000 0.261 135 P C -1.895 175.421 177.300 0.027 0.000 1.203 135 P CA -1.084 62.026 63.100 0.017 0.000 0.767 135 P CB 0.318 32.025 31.700 0.012 0.000 0.785 136 P HA -0.233 nan 4.420 nan 0.000 0.217 136 P C 0.853 178.175 177.300 0.037 0.000 1.148 136 P CA 1.505 64.631 63.100 0.043 0.000 0.828 136 P CB -0.153 31.570 31.700 0.038 0.000 0.783 137 D N -0.591 119.825 120.400 0.026 0.000 2.178 137 D HA -0.185 4.454 4.640 -0.001 0.000 0.201 137 D C 1.550 177.865 176.300 0.025 0.000 0.980 137 D CA 1.136 55.149 54.000 0.022 0.000 0.842 137 D CB -0.905 39.905 40.800 0.016 0.000 0.948 137 D HN 0.254 nan 8.370 nan 0.000 0.472 138 E N -0.445 119.772 120.200 0.028 0.000 2.112 138 E HA -0.023 4.326 4.350 -0.001 0.000 0.190 138 E C 1.893 178.520 176.600 0.046 0.000 0.979 138 E CA 0.137 56.555 56.400 0.030 0.000 0.814 138 E CB -0.046 29.668 29.700 0.023 0.000 0.762 138 E HN 0.202 nan 8.360 nan 0.000 0.460 139 L N 1.243 122.501 121.223 0.058 0.000 1.994 139 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 139 L C 2.237 179.164 176.870 0.095 0.000 1.071 139 L CA 1.259 56.156 54.840 0.095 0.000 0.745 139 L CB -0.611 41.519 42.059 0.118 0.000 0.892 139 L HN 0.124 nan 8.230 nan 0.000 0.431 140 L N 0.850 122.107 121.223 0.056 0.000 2.030 140 L HA -0.211 4.129 4.340 -0.001 0.000 0.222 140 L C -0.550 176.331 176.870 0.019 0.000 1.082 140 L CA 2.843 57.693 54.840 0.016 0.000 0.785 140 L CB -1.984 40.079 42.059 0.007 0.000 0.895 140 L HN 0.287 nan 8.230 nan 0.000 0.439 141 P HA -0.224 nan 4.420 nan 0.000 0.215 141 P C 1.356 178.699 177.300 0.073 0.000 1.153 141 P CA 1.761 64.887 63.100 0.043 0.000 0.853 141 P CB -0.191 31.533 31.700 0.039 0.000 0.788 142 Q N -0.167 119.690 119.800 0.095 0.000 2.170 142 Q HA -0.075 4.265 4.340 -0.001 0.000 0.203 142 Q C 2.435 178.554 176.000 0.198 0.000 0.976 142 Q CA 1.519 57.407 55.803 0.142 0.000 0.858 142 Q CB -0.679 28.144 28.738 0.141 0.000 0.907 142 Q HN 0.218 nan 8.270 nan 0.000 0.433 143 A N 1.456 124.366 122.820 0.150 0.000 1.858 143 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 143 A C 2.064 179.692 177.584 0.075 0.000 1.190 143 A CA 1.167 53.245 52.037 0.067 0.000 0.617 143 A CB -0.476 18.330 19.000 -0.323 0.000 0.827 143 A HN 0.227 nan 8.150 nan 0.000 0.443 144 I N 0.173 120.765 120.570 0.036 0.000 2.163 144 I HA -0.243 3.926 4.170 -0.001 0.000 0.243 144 I C 2.348 178.532 176.117 0.112 0.000 1.085 144 I CA 1.714 63.050 61.300 0.060 0.000 1.347 144 I CB -1.834 36.187 38.000 0.036 0.000 1.044 144 I HN 0.471 nan 8.210 nan 0.000 0.408 145 E N 0.355 120.628 120.200 0.122 0.000 2.070 145 E HA -0.285 4.065 4.350 -0.001 0.000 0.197 145 E C 2.176 178.864 176.600 0.147 0.000 1.004 145 E CA 1.666 58.142 56.400 0.126 0.000 0.805 145 E CB -0.359 29.421 29.700 0.133 0.000 0.744 145 E HN 0.389 nan 8.360 nan 0.000 0.451 146 F N 1.186 121.211 119.950 0.126 0.000 2.095 146 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 146 F C 2.145 178.039 175.800 0.155 0.000 1.104 146 F CA 1.147 59.248 58.000 0.169 0.000 1.232 146 F CB -0.398 38.730 39.000 0.213 0.000 0.987 146 F HN -0.193 nan 8.300 nan 0.000 0.475 147 V N 0.991 120.918 119.914 0.022 0.000 2.332 147 V HA -0.368 3.751 4.120 -0.001 0.000 0.248 147 V C 2.273 178.312 176.094 -0.092 0.000 1.055 147 V CA 2.199 64.512 62.300 0.022 0.000 1.038 147 V CB -0.923 31.029 31.823 0.215 0.000 0.651 147 V HN 0.375 nan 8.190 nan 0.000 0.450 148 N N -0.069 118.625 118.700 -0.010 0.000 2.069 148 N HA -0.221 4.519 4.740 -0.001 0.000 0.191 148 N C 1.913 177.293 175.510 -0.217 0.000 1.031 148 N CA 1.797 54.838 53.050 -0.014 0.000 0.852 148 N CB -0.411 38.140 38.487 0.108 0.000 1.018 148 N HN 0.658 nan 8.380 nan 0.000 0.423 149 Q N -0.501 119.159 119.800 -0.234 0.000 2.050 149 Q HA -0.206 4.134 4.340 -0.001 0.000 0.202 149 Q C 2.027 177.659 176.000 -0.613 0.000 0.980 149 Q CA 1.280 56.928 55.803 -0.259 0.000 0.840 149 Q CB -0.225 28.469 28.738 -0.072 0.000 0.898 149 Q HN 0.440 nan 8.270 nan 0.000 0.424 150 Y N 0.044 119.673 120.300 -1.118 0.000 2.070 150 Y HA -0.301 4.248 4.550 -0.001 0.000 0.280 150 Y C 1.706 176.716 175.900 -1.484 0.000 1.148 150 Y CA 2.040 59.096 58.100 -1.740 0.000 1.125 150 Y CB -0.770 36.790 38.460 -1.500 0.000 0.975 150 Y HN 0.197 nan 8.280 nan 0.000 0.492 151 Y N 0.064 119.677 120.300 -1.146 0.000 2.333 151 Y HA -0.040 4.510 4.550 -0.000 0.000 0.290 151 Y C 2.642 178.029 175.900 -0.855 0.000 1.144 151 Y CA 1.396 58.862 58.100 -1.056 0.000 1.228 151 Y CB -0.843 37.005 38.460 -1.020 0.000 0.985 151 Y HN 0.265 nan 8.280 nan 0.000 0.542 152 G N -1.501 106.949 108.800 -0.582 0.000 2.744 152 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.211 152 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.211 152 G C 1.603 176.245 174.900 -0.429 0.000 1.143 152 G CA 0.842 45.734 45.100 -0.346 0.000 0.788 152 G HN 0.442 nan 8.290 nan 0.000 0.534 153 S N -0.209 115.013 115.700 -0.798 0.000 2.603 153 S HA 0.289 4.758 4.470 -0.001 0.000 0.220 153 S C 0.209 174.499 174.600 -0.516 0.000 0.967 153 S CA -0.454 57.360 58.200 -0.645 0.000 0.920 153 S CB -0.298 62.446 63.200 -0.759 0.000 0.773 153 S HN 0.002 nan 8.310 nan 0.000 0.529 154 F N 2.297 122.091 119.950 -0.260 0.000 2.404 154 F HA 0.540 5.066 4.527 -0.001 0.000 0.339 154 F C 1.381 177.122 175.800 -0.099 0.000 1.105 154 F CA -1.797 56.096 58.000 -0.179 0.000 1.087 154 F CB 1.143 40.027 39.000 -0.194 0.000 1.143 154 F HN -0.110 nan 8.300 nan 0.000 0.491 155 K N 0.777 121.256 120.400 0.133 0.000 2.097 155 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 155 K C 0.384 177.021 176.600 0.062 0.000 1.050 155 K CA 1.129 57.454 56.287 0.064 0.000 0.938 155 K CB -0.030 32.496 32.500 0.044 0.000 0.718 155 K HN 0.547 nan 8.250 nan 0.000 0.442 156 E N 1.782 122.024 120.200 0.069 0.000 1.963 156 E HA 0.300 4.650 4.350 -0.001 0.000 0.274 156 E C -0.642 175.999 176.600 0.067 0.000 1.061 156 E CA -0.283 56.136 56.400 0.031 0.000 0.847 156 E CB 0.800 30.484 29.700 -0.026 0.000 1.083 156 E HN 0.087 nan 8.360 nan 0.000 0.402 157 A N 4.568 127.436 122.820 0.081 0.000 2.386 157 A HA 0.339 4.659 4.320 -0.001 0.000 0.246 157 A C 0.286 177.926 177.584 0.093 0.000 1.089 157 A CA -0.466 51.643 52.037 0.121 0.000 0.790 157 A CB 0.365 19.419 19.000 0.089 0.000 1.042 157 A HN 0.640 nan 8.150 nan 0.000 0.497 158 K N 2.068 122.551 120.400 0.139 0.000 2.832 158 K HA 0.218 4.538 4.320 -0.001 0.000 0.243 158 K C -0.003 176.632 176.600 0.059 0.000 1.117 158 K CA -0.146 56.190 56.287 0.081 0.000 1.068 158 K CB -0.382 32.165 32.500 0.077 0.000 1.286 158 K HN 0.680 nan 8.250 nan 0.000 0.553 159 I N -1.446 119.137 120.570 0.022 0.000 2.315 159 I HA -0.233 3.937 4.170 -0.001 0.000 0.248 159 I C 1.165 177.228 176.117 -0.090 0.000 1.117 159 I CA 0.871 62.148 61.300 -0.039 0.000 1.404 159 I CB -0.263 37.702 38.000 -0.058 0.000 1.071 159 I HN 0.248 nan 8.210 nan 0.000 0.419 160 E N 1.905 122.069 120.200 -0.061 0.000 2.012 160 E HA -0.270 4.079 4.350 -0.001 0.000 0.197 160 E C 2.128 178.675 176.600 -0.087 0.000 1.007 160 E CA 1.834 58.195 56.400 -0.065 0.000 0.816 160 E CB -0.425 29.253 29.700 -0.038 0.000 0.762 160 E HN 0.616 nan 8.360 nan 0.000 0.451 161 E N -0.015 120.139 120.200 -0.077 0.000 2.070 161 E HA -0.310 4.040 4.350 -0.001 0.000 0.197 161 E C 2.178 178.576 176.600 -0.338 0.000 1.004 161 E CA 1.472 57.815 56.400 -0.096 0.000 0.805 161 E CB -0.146 29.566 29.700 0.020 0.000 0.744 161 E HN 0.502 nan 8.360 nan 0.000 0.451 162 H N -0.500 118.125 119.070 -0.742 0.000 2.253 162 H HA -0.176 4.380 4.556 -0.000 0.000 0.296 162 H C 2.173 177.191 175.328 -0.518 0.000 1.067 162 H CA 1.545 56.886 56.048 -1.178 0.000 1.245 162 H CB 0.015 29.368 29.762 -0.682 0.000 1.364 162 H HN 0.134 nan 8.280 nan 0.000 0.494 163 L N 1.044 122.096 121.223 -0.285 0.000 2.079 163 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 163 L C 2.927 179.726 176.870 -0.117 0.000 1.081 163 L CA 1.698 56.394 54.840 -0.239 0.000 0.752 163 L CB -1.098 40.820 42.059 -0.234 0.000 0.896 163 L HN 0.478 nan 8.230 nan 0.000 0.433 164 A N -0.606 122.154 122.820 -0.101 0.000 1.902 164 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 164 A C 2.460 180.038 177.584 -0.012 0.000 1.181 164 A CA 1.780 53.789 52.037 -0.048 0.000 0.623 164 A CB -0.489 18.491 19.000 -0.034 0.000 0.818 164 A HN 0.327 nan 8.150 nan 0.000 0.443 165 R N -0.181 120.316 120.500 -0.005 0.000 2.148 165 R HA -0.028 4.311 4.340 -0.001 0.000 0.227 165 R C 1.660 178.010 176.300 0.083 0.000 1.103 165 R CA 1.776 57.930 56.100 0.090 0.000 0.983 165 R CB -0.966 29.471 30.300 0.229 0.000 0.874 165 R HN 0.280 nan 8.270 nan 0.000 0.451 166 V N 0.352 120.296 119.914 0.050 0.000 2.323 166 V HA -0.153 3.967 4.120 -0.001 0.000 0.244 166 V C 1.914 178.005 176.094 -0.006 0.000 1.041 166 V CA 2.026 64.344 62.300 0.030 0.000 1.025 166 V CB -0.420 31.404 31.823 0.002 0.000 0.656 166 V HN 0.292 nan 8.190 nan 0.000 0.451 167 E N 0.577 120.769 120.200 -0.014 0.000 2.038 167 E HA -0.203 4.147 4.350 -0.001 0.000 0.195 167 E C 2.292 178.891 176.600 -0.002 0.000 1.000 167 E CA 1.706 58.097 56.400 -0.015 0.000 0.803 167 E CB -0.652 29.037 29.700 -0.018 0.000 0.750 167 E HN 0.550 nan 8.360 nan 0.000 0.448 168 A N 0.382 123.209 122.820 0.013 0.000 1.873 168 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 168 A C 2.515 180.112 177.584 0.022 0.000 1.193 168 A CA 1.933 53.987 52.037 0.028 0.000 0.629 168 A CB -1.025 18.006 19.000 0.053 0.000 0.826 168 A HN 0.167 nan 8.150 nan 0.000 0.447 169 V N -0.138 119.776 119.914 0.001 0.000 2.469 169 V HA -0.238 3.882 4.120 -0.001 0.000 0.251 169 V C 2.708 178.750 176.094 -0.087 0.000 1.064 169 V CA 2.414 64.668 62.300 -0.076 0.000 1.066 169 V CB -1.314 30.383 31.823 -0.210 0.000 0.667 169 V HN 0.658 nan 8.190 nan 0.000 0.461 170 T N -0.101 114.421 114.554 -0.054 0.000 2.643 170 T HA -0.175 4.174 4.350 -0.001 0.000 0.264 170 T C 2.008 176.703 174.700 -0.010 0.000 1.045 170 T CA 1.337 63.415 62.100 -0.037 0.000 1.155 170 T CB -0.252 68.601 68.868 -0.025 0.000 0.863 170 T HN 0.366 nan 8.240 nan 0.000 0.420 171 K N 1.320 121.721 120.400 0.001 0.000 2.020 171 K HA -0.173 4.146 4.320 -0.001 0.000 0.212 171 K C 2.227 178.843 176.600 0.027 0.000 1.050 171 K CA 1.579 57.874 56.287 0.014 0.000 0.929 171 K CB -0.706 31.805 32.500 0.017 0.000 0.714 171 K HN 0.510 nan 8.250 nan 0.000 0.443 172 E N 0.630 120.853 120.200 0.038 0.000 2.049 172 E HA -0.172 4.178 4.350 -0.001 0.000 0.198 172 E C 2.141 178.788 176.600 0.077 0.000 1.007 172 E CA 1.338 57.779 56.400 0.068 0.000 0.809 172 E CB -0.067 29.696 29.700 0.105 0.000 0.749 172 E HN 0.261 nan 8.360 nan 0.000 0.450 173 I N 0.635 121.246 120.570 0.068 0.000 2.315 173 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 173 I C 2.245 178.391 176.117 0.050 0.000 1.117 173 I CA 1.078 62.425 61.300 0.078 0.000 1.404 173 I CB -0.337 37.697 38.000 0.057 0.000 1.071 173 I HN 0.189 nan 8.210 nan 0.000 0.419 174 E N 0.388 120.607 120.200 0.032 0.000 2.077 174 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 174 E C 2.095 178.711 176.600 0.027 0.000 0.989 174 E CA 1.921 58.336 56.400 0.024 0.000 0.800 174 E CB -0.090 29.620 29.700 0.016 0.000 0.746 174 E HN 0.506 nan 8.360 nan 0.000 0.452 175 T N 0.285 114.858 114.554 0.031 0.000 2.755 175 T HA -0.063 4.287 4.350 -0.001 0.000 0.251 175 T C 2.075 176.795 174.700 0.034 0.000 1.044 175 T CA 1.486 63.604 62.100 0.030 0.000 1.154 175 T CB -0.459 68.427 68.868 0.030 0.000 0.866 175 T HN 0.117 nan 8.240 nan 0.000 0.416 176 T N 0.286 114.867 114.554 0.044 0.000 2.995 176 T HA 0.276 4.625 4.350 -0.001 0.000 0.269 176 T C 1.750 176.478 174.700 0.046 0.000 1.091 176 T CA 0.943 63.070 62.100 0.045 0.000 1.128 176 T CB -0.462 68.439 68.868 0.054 0.000 0.891 176 T HN 0.644 nan 8.240 nan 0.000 0.492 177 G N 0.937 109.769 108.800 0.053 0.000 2.159 177 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.256 177 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.256 177 G C 0.310 175.252 174.900 0.069 0.000 0.977 177 G CA 0.659 45.790 45.100 0.052 0.000 0.652 177 G HN 0.866 nan 8.290 nan 0.000 0.531 178 T N -1.670 112.943 114.554 0.099 0.000 2.658 178 T HA 0.671 5.021 4.350 -0.001 0.000 0.306 178 T C -1.451 173.389 174.700 0.232 0.000 1.544 178 T CA 0.515 62.694 62.100 0.132 0.000 0.991 178 T CB 1.111 69.995 68.868 0.025 0.000 1.774 178 T HN 1.712 nan 8.240 nan 0.000 0.479 179 Y N -0.563 119.742 120.300 0.009 0.000 2.705 179 Y HA 0.830 5.380 4.550 -0.000 0.000 0.332 179 Y C -1.616 174.298 175.900 0.023 0.000 1.221 179 Y CA -1.125 56.990 58.100 0.025 0.000 1.059 179 Y CB 0.982 39.470 38.460 0.047 0.000 1.298 179 Y HN 0.508 nan 8.280 nan 0.000 0.459 180 Q N 1.695 121.553 119.800 0.097 0.000 2.353 180 Q HA 0.439 4.779 4.340 -0.001 0.000 0.268 180 Q C -1.344 174.719 176.000 0.105 0.000 1.045 180 Q CA -0.960 54.843 55.803 -0.001 0.000 0.811 180 Q CB 3.140 31.901 28.738 0.038 0.000 1.305 180 Q HN 0.714 nan 8.270 nan 0.000 0.447 181 L N 1.400 122.647 121.223 0.040 0.000 2.475 181 L HA 0.309 4.648 4.340 -0.001 0.000 0.253 181 L C 1.217 178.119 176.870 0.055 0.000 1.198 181 L CA 0.326 55.215 54.840 0.081 0.000 0.814 181 L CB 0.385 42.448 42.059 0.006 0.000 1.134 181 L HN 0.757 nan 8.230 nan 0.000 0.478 182 T N -2.302 112.266 114.554 0.023 0.000 2.849 182 T HA 0.448 4.798 4.350 -0.001 0.000 0.276 182 T C 1.164 175.853 174.700 -0.018 0.000 0.971 182 T CA -0.186 61.918 62.100 0.006 0.000 0.949 182 T CB 0.906 69.769 68.868 -0.007 0.000 1.093 182 T HN 0.606 nan 8.240 nan 0.000 0.545 183 G N -0.275 108.520 108.800 -0.008 0.000 2.402 183 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.216 183 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.216 183 G C 1.197 176.092 174.900 -0.009 0.000 1.162 183 G CA 0.862 45.953 45.100 -0.016 0.000 0.777 183 G HN 0.809 nan 8.290 nan 0.000 0.539 184 D N 0.237 120.646 120.400 0.014 0.000 2.144 184 D HA -0.033 4.606 4.640 -0.001 0.000 0.200 184 D C 2.411 178.753 176.300 0.069 0.000 0.978 184 D CA 0.839 54.886 54.000 0.078 0.000 0.833 184 D CB -0.079 40.810 40.800 0.149 0.000 0.961 184 D HN 0.438 nan 8.370 nan 0.000 0.470 185 E N -0.619 119.488 120.200 -0.156 0.000 2.110 185 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 185 E C 1.954 178.618 176.600 0.107 0.000 0.988 185 E CA 0.471 56.727 56.400 -0.239 0.000 0.804 185 E CB -0.050 29.482 29.700 -0.280 0.000 0.745 185 E HN 0.234 nan 8.360 nan 0.000 0.458 186 L N 0.825 122.042 121.223 -0.010 0.000 2.141 186 L HA -0.096 4.244 4.340 -0.001 0.000 0.209 186 L C 1.892 178.733 176.870 -0.049 0.000 1.094 186 L CA 1.342 56.123 54.840 -0.098 0.000 0.763 186 L CB -0.073 41.889 42.059 -0.160 0.000 0.908 186 L HN 0.103 nan 8.230 nan 0.000 0.437 187 I N -1.260 119.326 120.570 0.028 0.000 2.252 187 I HA -0.287 3.883 4.170 -0.001 0.000 0.245 187 I C 2.335 178.536 176.117 0.140 0.000 1.102 187 I CA 1.524 62.854 61.300 0.050 0.000 1.385 187 I CB -0.451 37.592 38.000 0.071 0.000 1.064 187 I HN 0.330 nan 8.210 nan 0.000 0.414 188 F N 2.025 122.046 119.950 0.117 0.000 2.102 188 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 188 F C 2.472 178.379 175.800 0.178 0.000 1.105 188 F CA 1.463 59.580 58.000 0.194 0.000 1.239 188 F CB -0.400 38.793 39.000 0.323 0.000 0.991 188 F HN -0.012 nan 8.300 nan 0.000 0.474 189 A N 0.179 123.048 122.820 0.082 0.000 1.877 189 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 189 A C 2.298 179.718 177.584 -0.274 0.000 1.186 189 A CA 2.733 54.683 52.037 -0.145 0.000 0.620 189 A CB -1.702 17.164 19.000 -0.223 0.000 0.822 189 A HN 0.574 nan 8.150 nan 0.000 0.443 190 T N -1.634 112.803 114.554 -0.196 0.000 2.708 190 T HA -0.174 4.176 4.350 -0.001 0.000 0.266 190 T C 1.859 176.554 174.700 -0.009 0.000 1.037 190 T CA 1.689 63.704 62.100 -0.141 0.000 1.146 190 T CB -0.349 68.472 68.868 -0.078 0.000 0.865 190 T HN 0.516 nan 8.240 nan 0.000 0.435 191 K N 0.615 121.046 120.400 0.052 0.000 2.025 191 K HA -0.081 4.239 4.320 -0.001 0.000 0.207 191 K C 2.681 179.330 176.600 0.081 0.000 1.049 191 K CA 1.526 57.959 56.287 0.243 0.000 0.933 191 K CB -0.236 32.447 32.500 0.306 0.000 0.714 191 K HN 0.319 nan 8.250 nan 0.000 0.438 192 Q N 0.653 120.308 119.800 -0.242 0.000 2.170 192 Q HA -0.082 4.258 4.340 -0.001 0.000 0.203 192 Q C 1.739 177.538 176.000 -0.335 0.000 0.976 192 Q CA 1.579 57.112 55.803 -0.450 0.000 0.858 192 Q CB -0.073 28.169 28.738 -0.828 0.000 0.907 192 Q HN 0.332 nan 8.270 nan 0.000 0.433 193 A N -0.752 121.874 122.820 -0.324 0.000 1.929 193 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 193 A C 1.758 179.212 177.584 -0.217 0.000 1.176 193 A CA 1.157 52.924 52.037 -0.449 0.000 0.628 193 A CB -1.084 17.338 19.000 -0.963 0.000 0.816 193 A HN 0.719 nan 8.150 nan 0.000 0.444 194 W N 1.103 122.301 121.300 -0.171 0.000 2.381 194 W HA -0.098 4.562 4.660 -0.001 0.000 0.301 194 W C 2.226 178.623 176.519 -0.203 0.000 1.205 194 W CA 1.455 58.747 57.345 -0.087 0.000 1.285 194 W CB -0.649 28.769 29.460 -0.070 0.000 1.133 194 W HN 0.334 nan 8.180 nan 0.000 0.521 195 R N 0.226 120.603 120.500 -0.204 0.000 2.096 195 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 195 R C 1.142 177.268 176.300 -0.290 0.000 1.127 195 R CA 1.671 57.473 56.100 -0.497 0.000 0.968 195 R CB -0.463 29.335 30.300 -0.836 0.000 0.861 195 R HN 0.035 nan 8.270 nan 0.000 0.440 196 N N 0.029 118.595 118.700 -0.224 0.000 2.313 196 N HA 0.070 4.810 4.740 -0.001 0.000 0.207 196 N C -0.983 174.452 175.510 -0.125 0.000 1.141 196 N CA 0.288 53.251 53.050 -0.146 0.000 0.830 196 N CB 1.196 39.637 38.487 -0.076 0.000 1.008 196 N HN 0.135 nan 8.380 nan 0.000 0.481 197 A N 1.224 123.956 122.820 -0.146 0.000 2.506 197 A HA 0.405 4.724 4.320 -0.001 0.000 0.320 197 A C -1.417 176.104 177.584 -0.105 0.000 1.424 197 A CA -1.220 50.697 52.037 -0.200 0.000 1.044 197 A CB 0.675 19.607 19.000 -0.113 0.000 1.140 197 A HN -0.034 nan 8.150 nan 0.000 0.538 198 P HA -0.142 nan 4.420 nan 0.000 0.218 198 P C 1.039 178.305 177.300 -0.056 0.000 1.148 198 P CA 1.157 64.228 63.100 -0.049 0.000 0.822 198 P CB 0.155 31.827 31.700 -0.047 0.000 0.784 199 R N -1.932 118.484 120.500 -0.140 0.000 2.335 199 R HA 0.149 4.489 4.340 -0.001 0.000 0.223 199 R C 0.112 176.428 176.300 0.027 0.000 0.940 199 R CA -0.109 55.937 56.100 -0.091 0.000 1.086 199 R CB -0.693 29.317 30.300 -0.483 0.000 1.073 199 R HN 0.183 nan 8.270 nan 0.000 0.504 200 C N 1.058 120.350 119.300 -0.014 0.000 2.239 200 C HA 0.278 4.737 4.460 -0.001 0.000 0.325 200 C C 1.624 176.608 174.990 -0.009 0.000 1.231 200 C CA -0.900 58.136 59.018 0.029 0.000 1.652 200 C CB -0.511 27.287 27.740 0.096 0.000 2.284 200 C HN 0.482 nan 8.230 nan 0.000 0.499 201 I N 4.637 125.179 120.570 -0.047 0.000 2.928 201 I HA 0.190 4.360 4.170 -0.001 0.000 0.266 201 I C 2.044 178.226 176.117 0.108 0.000 1.234 201 I CA 1.555 62.804 61.300 -0.086 0.000 1.483 201 I CB 0.018 37.955 38.000 -0.105 0.000 1.097 201 I HN 0.840 nan 8.210 nan 0.000 0.455 202 G N -0.309 108.534 108.800 0.072 0.000 2.920 202 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.208 202 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.208 202 G C 1.559 176.435 174.900 -0.041 0.000 1.159 202 G CA -0.204 44.922 45.100 0.044 0.000 0.784 202 G HN 0.284 nan 8.290 nan 0.000 0.535 203 R N -0.178 120.196 120.500 -0.209 0.000 2.332 203 R HA -0.043 4.297 4.340 -0.001 0.000 0.239 203 R C 2.038 177.785 176.300 -0.921 0.000 1.160 203 R CA 0.571 56.176 56.100 -0.824 0.000 1.020 203 R CB -0.317 29.323 30.300 -1.099 0.000 0.859 203 R HN 0.430 nan 8.270 nan 0.000 0.478 204 I N 0.761 121.040 120.570 -0.485 0.000 2.493 204 I HA -0.232 3.938 4.170 -0.001 0.000 0.254 204 I C 1.464 177.452 176.117 -0.216 0.000 1.160 204 I CA 1.189 62.398 61.300 -0.151 0.000 1.445 204 I CB 0.105 38.132 38.000 0.045 0.000 1.086 204 I HN 0.210 nan 8.210 nan 0.000 0.433 205 Q N 0.637 120.241 119.800 -0.328 0.000 2.444 205 Q HA -0.142 4.198 4.340 -0.001 0.000 0.206 205 Q C 1.690 177.216 176.000 -0.791 0.000 0.948 205 Q CA 0.535 56.145 55.803 -0.323 0.000 0.946 205 Q CB -0.279 28.440 28.738 -0.031 0.000 1.027 205 Q HN 0.774 nan 8.270 nan 0.000 0.513 206 W N 1.180 121.644 121.300 -1.394 0.000 2.303 206 W HA -0.232 4.428 4.660 -0.001 0.000 0.287 206 W C 1.042 177.222 176.519 -0.565 0.000 1.213 206 W CA 1.475 57.828 57.345 -1.653 0.000 1.203 206 W CB -1.140 27.582 29.460 -1.230 0.000 1.136 206 W HN 0.166 nan 8.180 nan 0.000 0.547 207 S N -0.141 114.828 115.700 -1.219 0.000 2.575 207 S HA 0.069 4.539 4.470 -0.001 0.000 0.215 207 S C 0.237 174.628 174.600 -0.348 0.000 0.966 207 S CA -0.180 57.435 58.200 -0.975 0.000 0.911 207 S CB -0.858 61.578 63.200 -1.274 0.000 0.780 207 S HN 0.352 nan 8.310 nan 0.000 0.514 208 N N 1.341 119.949 118.700 -0.153 0.000 2.816 208 N HA 0.533 5.272 4.740 -0.001 0.000 0.236 208 N C -1.743 173.895 175.510 0.213 0.000 1.076 208 N CA -0.365 52.707 53.050 0.037 0.000 0.902 208 N CB 1.188 39.721 38.487 0.077 0.000 1.149 208 N HN 0.183 nan 8.380 nan 0.000 0.506 209 L N 2.007 123.321 121.223 0.151 0.000 2.476 209 L HA 0.296 4.635 4.340 -0.001 0.000 0.269 209 L C -1.008 175.843 176.870 -0.032 0.000 0.965 209 L CA -0.701 54.214 54.840 0.125 0.000 0.845 209 L CB 1.852 44.041 42.059 0.217 0.000 1.259 209 L HN 0.262 nan 8.230 nan 0.000 0.403 210 Q N 3.654 123.381 119.800 -0.122 0.000 2.295 210 Q HA 0.475 4.815 4.340 -0.001 0.000 0.259 210 Q C -1.564 174.120 176.000 -0.528 0.000 0.976 210 Q CA -0.098 55.463 55.803 -0.403 0.000 0.923 210 Q CB 1.181 29.520 28.738 -0.664 0.000 1.185 210 Q HN 0.492 nan 8.270 nan 0.000 0.410 211 V N 6.399 126.024 119.914 -0.483 0.000 2.318 211 V HA 0.318 4.437 4.120 -0.001 0.000 0.271 211 V C -0.551 175.258 176.094 -0.476 0.000 1.030 211 V CA -0.527 61.542 62.300 -0.384 0.000 0.844 211 V CB -0.181 31.514 31.823 -0.214 0.000 1.015 211 V HN 0.658 nan 8.190 nan 0.000 0.460 212 F N 3.017 122.787 119.950 -0.301 0.000 2.405 212 F HA 0.284 4.811 4.527 -0.001 0.000 0.358 212 F C 0.816 176.452 175.800 -0.274 0.000 1.151 212 F CA -0.541 57.292 58.000 -0.279 0.000 1.161 212 F CB 0.381 39.199 39.000 -0.304 0.000 1.245 212 F HN 0.438 nan 8.300 nan 0.000 0.545 213 D N 3.313 123.675 120.400 -0.064 0.000 2.371 213 D HA 0.373 5.013 4.640 -0.001 0.000 0.256 213 D C -0.044 176.163 176.300 -0.155 0.000 1.193 213 D CA 0.216 54.148 54.000 -0.113 0.000 0.881 213 D CB 1.160 41.915 40.800 -0.075 0.000 1.143 213 D HN 0.618 nan 8.370 nan 0.000 0.473 214 A N 4.409 127.060 122.820 -0.282 0.000 2.676 214 A HA 0.188 4.508 4.320 -0.001 0.000 0.258 214 A C 1.095 178.556 177.584 -0.205 0.000 0.898 214 A CA -0.454 51.327 52.037 -0.427 0.000 1.087 214 A CB 0.168 18.512 19.000 -1.092 0.000 1.214 214 A HN 0.514 nan 8.150 nan 0.000 0.474 215 R N 0.371 120.808 120.500 -0.105 0.000 2.323 215 R HA -0.010 4.330 4.340 -0.001 0.000 0.198 215 R C 1.726 177.968 176.300 -0.097 0.000 0.988 215 R CA 1.212 57.277 56.100 -0.059 0.000 1.041 215 R CB 0.059 30.373 30.300 0.024 0.000 0.926 215 R HN 0.560 nan 8.270 nan 0.000 0.476 216 S N -1.228 114.433 115.700 -0.066 0.000 2.517 216 S HA 0.036 4.506 4.470 -0.001 0.000 0.214 216 S C 1.006 175.576 174.600 -0.050 0.000 0.991 216 S CA -0.625 57.550 58.200 -0.041 0.000 0.906 216 S CB -0.166 63.042 63.200 0.014 0.000 0.789 216 S HN 0.314 nan 8.310 nan 0.000 0.513 217 C N 3.339 122.599 119.300 -0.067 0.000 2.608 217 C HA 0.329 4.789 4.460 -0.001 0.000 0.407 217 C C 1.834 176.745 174.990 -0.132 0.000 1.322 217 C CA 0.859 59.867 59.018 -0.016 0.000 1.778 217 C CB 0.119 27.883 27.740 0.039 0.000 2.654 217 C HN 0.764 nan 8.230 nan 0.000 0.622 218 S N 0.781 116.562 115.700 0.135 0.000 2.661 218 S HA 0.222 4.692 4.470 -0.001 0.000 0.275 218 S C 0.037 174.849 174.600 0.353 0.000 1.075 218 S CA 0.396 58.778 58.200 0.302 0.000 1.251 218 S CB -0.025 63.272 63.200 0.162 0.000 1.167 218 S HN 1.132 nan 8.310 nan 0.000 0.648 219 T N -1.771 112.945 114.554 0.269 0.000 2.883 219 T HA 0.832 5.182 4.350 -0.001 0.000 0.296 219 T C 1.087 175.844 174.700 0.094 0.000 1.117 219 T CA -0.163 62.029 62.100 0.154 0.000 1.006 219 T CB 1.365 70.292 68.868 0.097 0.000 1.191 219 T HN 0.275 nan 8.240 nan 0.000 0.508 220 A N 0.920 123.763 122.820 0.038 0.000 1.972 220 A HA 0.012 4.331 4.320 -0.001 0.000 0.219 220 A C 2.304 179.694 177.584 -0.323 0.000 1.169 220 A CA 1.826 53.848 52.037 -0.025 0.000 0.635 220 A CB -0.808 18.316 19.000 0.207 0.000 0.810 220 A HN 0.858 nan 8.150 nan 0.000 0.446 221 R N 0.134 120.531 120.500 -0.170 0.000 2.119 221 R HA -0.016 4.324 4.340 -0.001 0.000 0.222 221 R C 1.941 178.170 176.300 -0.119 0.000 1.088 221 R CA 1.760 57.696 56.100 -0.273 0.000 0.984 221 R CB -0.460 29.860 30.300 0.034 0.000 0.884 221 R HN 0.637 nan 8.270 nan 0.000 0.447 222 E N -0.191 119.993 120.200 -0.027 0.000 2.106 222 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 222 E C 1.771 178.436 176.600 0.109 0.000 0.984 222 E CA 1.373 57.785 56.400 0.021 0.000 0.806 222 E CB -0.013 29.740 29.700 0.089 0.000 0.750 222 E HN 0.380 nan 8.360 nan 0.000 0.458 223 M N -0.107 119.544 119.600 0.085 0.000 2.086 223 M HA -0.148 4.331 4.480 -0.001 0.000 0.261 223 M C 2.212 178.581 176.300 0.114 0.000 1.067 223 M CA 1.376 56.731 55.300 0.092 0.000 1.116 223 M CB -0.423 32.008 32.600 -0.281 0.000 1.348 223 M HN 0.183 nan 8.290 nan 0.000 0.407 224 F N 1.432 121.200 119.950 -0.303 0.000 2.202 224 F HA -0.212 4.315 4.527 -0.001 0.000 0.301 224 F C 1.989 177.689 175.800 -0.166 0.000 1.082 224 F CA 1.788 59.582 58.000 -0.343 0.000 1.313 224 F CB -0.230 38.271 39.000 -0.832 0.000 1.024 224 F HN 0.165 nan 8.300 nan 0.000 0.495 225 E N -1.169 118.889 120.200 -0.236 0.000 2.072 225 E HA -0.185 4.165 4.350 -0.001 0.000 0.190 225 E C 1.966 178.405 176.600 -0.269 0.000 0.982 225 E CA 1.353 57.554 56.400 -0.332 0.000 0.803 225 E CB -0.306 29.262 29.700 -0.219 0.000 0.755 225 E HN 0.596 nan 8.360 nan 0.000 0.453 226 H N 0.253 119.264 119.070 -0.099 0.000 2.353 226 H HA -0.071 4.484 4.556 -0.001 0.000 0.300 226 H C 2.056 177.278 175.328 -0.177 0.000 1.090 226 H CA 1.366 57.352 56.048 -0.104 0.000 1.327 226 H CB 0.080 29.882 29.762 0.065 0.000 1.383 226 H HN 0.096 nan 8.280 nan 0.000 0.508 227 I N -0.511 120.088 120.570 0.047 0.000 2.286 227 I HA -0.306 3.864 4.170 -0.001 0.000 0.248 227 I C 2.075 178.082 176.117 -0.183 0.000 1.115 227 I CA 0.682 61.955 61.300 -0.045 0.000 1.392 227 I CB -0.188 37.817 38.000 0.008 0.000 1.065 227 I HN 0.408 nan 8.210 nan 0.000 0.418 228 C N 0.288 119.389 119.300 -0.331 0.000 2.432 228 C HA -0.119 4.340 4.460 -0.001 0.000 0.280 228 C C 2.962 177.820 174.990 -0.220 0.000 1.353 228 C CA 0.842 59.654 59.018 -0.342 0.000 1.766 228 C CB -1.151 26.259 27.740 -0.549 0.000 1.924 228 C HN 0.466 nan 8.230 nan 0.000 0.509 229 R N 0.107 120.461 120.500 -0.243 0.000 2.062 229 R HA -0.127 4.213 4.340 -0.001 0.000 0.229 229 R C 2.171 178.299 176.300 -0.287 0.000 1.128 229 R CA 1.838 57.788 56.100 -0.250 0.000 0.960 229 R CB -0.726 29.378 30.300 -0.326 0.000 0.855 229 R HN 0.747 nan 8.270 nan 0.000 0.432 230 H N -0.477 118.257 119.070 -0.560 0.000 2.267 230 H HA -0.119 4.437 4.556 -0.001 0.000 0.297 230 H C 1.874 177.158 175.328 -0.073 0.000 1.080 230 H CA 2.025 57.789 56.048 -0.474 0.000 1.278 230 H CB 0.051 29.592 29.762 -0.367 0.000 1.365 230 H HN 0.084 nan 8.280 nan 0.000 0.489 231 V N 0.966 120.927 119.914 0.078 0.000 2.380 231 V HA -0.295 3.824 4.120 -0.001 0.000 0.251 231 V C 2.608 178.748 176.094 0.076 0.000 1.063 231 V CA 2.288 64.614 62.300 0.043 0.000 1.055 231 V CB -0.634 31.153 31.823 -0.061 0.000 0.657 231 V HN 0.434 nan 8.190 nan 0.000 0.455 232 R N -1.146 119.385 120.500 0.051 0.000 2.073 232 R HA -0.188 4.152 4.340 -0.001 0.000 0.229 232 R C 2.414 178.778 176.300 0.106 0.000 1.120 232 R CA 1.817 57.948 56.100 0.052 0.000 0.967 232 R CB -0.447 29.865 30.300 0.020 0.000 0.862 232 R HN 0.602 nan 8.270 nan 0.000 0.436 233 Y N 0.820 121.167 120.300 0.079 0.000 2.145 233 Y HA -0.167 4.383 4.550 -0.001 0.000 0.286 233 Y C 2.220 178.212 175.900 0.153 0.000 1.145 233 Y CA 2.155 60.348 58.100 0.154 0.000 1.148 233 Y CB -0.259 38.406 38.460 0.341 0.000 0.981 233 Y HN 0.039 nan 8.280 nan 0.000 0.507 234 S N -0.539 115.294 115.700 0.223 0.000 2.355 234 S HA -0.166 4.303 4.470 -0.001 0.000 0.222 234 S C 1.892 176.526 174.600 0.055 0.000 1.031 234 S CA 1.673 59.966 58.200 0.154 0.000 0.993 234 S CB -0.667 62.748 63.200 0.358 0.000 0.859 234 S HN 0.580 nan 8.310 nan 0.000 0.453 235 T N 2.027 116.622 114.554 0.068 0.000 2.759 235 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 235 T C 1.036 175.733 174.700 -0.005 0.000 1.042 235 T CA 1.124 63.252 62.100 0.046 0.000 1.140 235 T CB -0.664 68.230 68.868 0.042 0.000 0.864 235 T HN 0.444 nan 8.240 nan 0.000 0.455 236 N N 1.883 120.551 118.700 -0.053 0.000 2.701 236 N HA -0.267 4.473 4.740 -0.001 0.000 0.252 236 N C -0.394 175.085 175.510 -0.053 0.000 1.002 236 N CA 0.786 53.782 53.050 -0.090 0.000 0.758 236 N CB -1.875 36.513 38.487 -0.165 0.000 0.937 236 N HN 0.527 nan 8.380 nan 0.000 0.538 237 N N -2.301 116.381 118.700 -0.031 0.000 2.741 237 N HA -0.219 4.520 4.740 -0.001 0.000 0.250 237 N C 1.092 176.584 175.510 -0.030 0.000 1.115 237 N CA 1.702 54.736 53.050 -0.027 0.000 0.724 237 N CB -1.421 37.049 38.487 -0.029 0.000 1.090 237 N HN 0.996 nan 8.380 nan 0.000 0.558 238 G N 0.071 108.859 108.800 -0.020 0.000 2.313 238 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.215 238 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.215 238 G C 0.071 174.961 174.900 -0.016 0.000 1.023 238 G CA 0.213 45.302 45.100 -0.018 0.000 0.626 238 G HN 0.469 nan 8.290 nan 0.000 0.503 239 N N 2.477 121.152 118.700 -0.041 0.000 3.050 239 N HA 0.269 5.008 4.740 -0.001 0.000 0.289 239 N C 0.964 176.441 175.510 -0.056 0.000 1.209 239 N CA -0.419 52.590 53.050 -0.068 0.000 1.154 239 N CB -0.612 37.829 38.487 -0.078 0.000 1.444 239 N HN 0.406 nan 8.380 nan 0.000 0.529 240 I N 1.390 121.958 120.570 -0.004 0.000 2.919 240 I HA -0.135 4.035 4.170 -0.001 0.000 0.303 240 I C 0.933 177.141 176.117 0.152 0.000 1.221 240 I CA 0.884 62.244 61.300 0.101 0.000 1.444 240 I CB -0.343 37.805 38.000 0.247 0.000 1.331 240 I HN 0.300 nan 8.210 nan 0.000 0.572 241 R N 3.552 124.153 120.500 0.169 0.000 2.750 241 R HA 0.469 4.808 4.340 -0.001 0.000 0.281 241 R C -0.577 175.902 176.300 0.298 0.000 0.972 241 R CA -0.731 55.500 56.100 0.218 0.000 0.912 241 R CB 2.183 32.459 30.300 -0.040 0.000 1.187 241 R HN 0.582 nan 8.270 nan 0.000 0.464 242 S N 0.924 116.802 115.700 0.297 0.000 2.562 242 S HA 0.691 5.160 4.470 -0.001 0.000 0.275 242 S C -0.621 174.067 174.600 0.146 0.000 1.281 242 S CA -0.515 57.766 58.200 0.135 0.000 1.045 242 S CB 1.592 64.779 63.200 -0.022 0.000 0.962 242 S HN 0.687 nan 8.310 nan 0.000 0.503 243 A N 2.441 125.307 122.820 0.077 0.000 2.605 243 A HA 0.761 5.080 4.320 -0.001 0.000 0.294 243 A C -1.395 176.158 177.584 -0.052 0.000 1.062 243 A CA -0.628 51.377 52.037 -0.054 0.000 0.682 243 A CB 1.045 20.019 19.000 -0.044 0.000 1.278 243 A HN 0.814 nan 8.150 nan 0.000 0.410 244 I N 0.629 121.128 120.570 -0.118 0.000 2.647 244 I HA 0.679 4.848 4.170 -0.001 0.000 0.295 244 I C -1.008 175.113 176.117 0.007 0.000 1.078 244 I CA -0.280 61.057 61.300 0.062 0.000 1.048 244 I CB 2.409 40.427 38.000 0.030 0.000 1.239 244 I HN 0.588 nan 8.210 nan 0.000 0.421 245 T N 6.399 121.003 114.554 0.083 0.000 2.788 245 T HA 0.377 4.727 4.350 -0.001 0.000 0.296 245 T C -0.558 173.924 174.700 -0.364 0.000 1.009 245 T CA -0.318 61.699 62.100 -0.139 0.000 0.949 245 T CB 1.097 69.865 68.868 -0.167 0.000 0.946 245 T HN 0.274 nan 8.240 nan 0.000 0.453 246 V N 5.425 125.130 119.914 -0.349 0.000 2.385 246 V HA 0.439 4.559 4.120 -0.001 0.000 0.269 246 V C -0.197 175.703 176.094 -0.322 0.000 1.043 246 V CA -0.658 61.477 62.300 -0.275 0.000 0.906 246 V CB -0.257 31.415 31.823 -0.253 0.000 0.995 246 V HN 0.663 nan 8.190 nan 0.000 0.467 247 F N 5.443 125.420 119.950 0.045 0.000 2.364 247 F HA 0.544 5.070 4.527 -0.001 0.000 0.316 247 F C -1.879 173.922 175.800 0.002 0.000 1.133 247 F CA -2.529 55.446 58.000 -0.042 0.000 1.051 247 F CB 0.275 39.297 39.000 0.038 0.000 1.342 247 F HN 0.286 nan 8.300 nan 0.000 0.507 248 P HA 0.043 nan 4.420 nan 0.000 0.268 248 P C -1.146 176.132 177.300 -0.037 0.000 1.205 248 P CA -0.304 62.731 63.100 -0.109 0.000 0.771 248 P CB 0.231 31.673 31.700 -0.430 0.000 0.858 249 Q N 2.820 122.457 119.800 -0.272 0.000 2.421 249 Q HA 0.093 4.433 4.340 -0.001 0.000 0.255 249 Q C 0.137 175.972 176.000 -0.274 0.000 1.013 249 Q CA -0.495 54.909 55.803 -0.665 0.000 0.895 249 Q CB 0.733 28.785 28.738 -1.143 0.000 1.271 249 Q HN 0.335 nan 8.270 nan 0.000 0.460 250 R N 1.428 121.787 120.500 -0.236 0.000 2.570 250 R HA -0.002 4.338 4.340 -0.001 0.000 0.277 250 R C 0.120 176.372 176.300 -0.080 0.000 1.039 250 R CA 0.747 56.800 56.100 -0.080 0.000 1.065 250 R CB 0.573 30.831 30.300 -0.071 0.000 0.964 250 R HN 0.965 nan 8.270 nan 0.000 0.428 251 S N 2.341 118.045 115.700 0.006 0.000 2.440 251 S HA -0.045 4.424 4.470 -0.001 0.000 0.194 251 S C 0.709 175.319 174.600 0.016 0.000 0.952 251 S CA 0.360 58.573 58.200 0.022 0.000 0.898 251 S CB -0.036 63.227 63.200 0.104 0.000 0.875 251 S HN 0.841 nan 8.310 nan 0.000 0.581 252 D N -0.170 120.253 120.400 0.038 0.000 2.431 252 D HA 0.338 4.978 4.640 -0.001 0.000 0.213 252 D C 1.267 177.540 176.300 -0.044 0.000 1.130 252 D CA 0.492 54.492 54.000 0.001 0.000 0.834 252 D CB -0.033 40.780 40.800 0.021 0.000 0.985 252 D HN 0.781 nan 8.370 nan 0.000 0.504 253 G N 1.136 109.907 108.800 -0.048 0.000 2.179 253 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.260 253 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.260 253 G C 1.007 175.833 174.900 -0.124 0.000 0.977 253 G CA 0.495 45.555 45.100 -0.067 0.000 0.641 253 G HN 0.456 nan 8.290 nan 0.000 0.533 254 K N -0.483 119.774 120.400 -0.239 0.000 2.353 254 K HA 0.230 4.549 4.320 -0.001 0.000 0.195 254 K C 0.484 176.686 176.600 -0.663 0.000 1.031 254 K CA 0.474 56.496 56.287 -0.442 0.000 1.079 254 K CB 0.347 32.530 32.500 -0.528 0.000 0.857 254 K HN 0.592 nan 8.250 nan 0.000 0.535 255 H N 0.681 119.748 119.070 -0.004 0.000 2.591 255 H HA 0.184 4.739 4.556 -0.001 0.000 0.241 255 H C -1.182 174.144 175.328 -0.003 0.000 1.292 255 H CA -0.775 55.261 56.048 -0.021 0.000 1.022 255 H CB 0.290 30.071 29.762 0.031 0.000 1.875 255 H HN -0.034 nan 8.280 nan 0.000 0.570 256 D N 0.780 121.191 120.400 0.018 0.000 2.390 256 D HA 0.032 4.672 4.640 -0.001 0.000 0.249 256 D C -0.161 176.132 176.300 -0.012 0.000 1.144 256 D CA 0.234 54.275 54.000 0.069 0.000 0.880 256 D CB 0.622 41.450 40.800 0.046 0.000 1.182 256 D HN 0.204 nan 8.370 nan 0.000 0.451 257 F N 2.485 122.462 119.950 0.045 0.000 2.405 257 F HA 0.386 4.913 4.527 -0.001 0.000 0.355 257 F C 0.957 176.774 175.800 0.028 0.000 1.121 257 F CA -0.256 57.738 58.000 -0.010 0.000 1.112 257 F CB 0.808 39.795 39.000 -0.022 0.000 1.126 257 F HN -0.056 nan 8.300 nan 0.000 0.481 258 R N 1.717 122.276 120.500 0.099 0.000 2.668 258 R HA 0.621 4.960 4.340 -0.001 0.000 0.272 258 R C -1.810 174.610 176.300 0.202 0.000 1.019 258 R CA -1.096 55.112 56.100 0.181 0.000 0.894 258 R CB 2.472 32.901 30.300 0.216 0.000 1.228 258 R HN 0.271 nan 8.270 nan 0.000 0.460 259 V N 1.985 122.038 119.914 0.233 0.000 2.383 259 V HA 0.132 4.252 4.120 -0.001 0.000 0.275 259 V C 0.145 176.481 176.094 0.404 0.000 1.036 259 V CA -0.417 62.033 62.300 0.250 0.000 0.889 259 V CB 1.090 33.016 31.823 0.171 0.000 0.985 259 V HN 0.786 nan 8.190 nan 0.000 0.459 260 W N 2.087 123.493 121.300 0.176 0.000 2.436 260 W HA 0.016 4.675 4.660 -0.001 0.000 0.284 260 W C 1.037 177.779 176.519 0.373 0.000 1.225 260 W CA -0.197 57.363 57.345 0.359 0.000 1.271 260 W CB -0.672 29.097 29.460 0.516 0.000 1.114 260 W HN 0.536 nan 8.180 nan 0.000 0.559 261 N N 0.201 119.117 118.700 0.359 0.000 2.454 261 N HA 0.205 4.945 4.740 -0.001 0.000 0.254 261 N C 1.106 176.532 175.510 -0.140 0.000 1.228 261 N CA 0.793 53.714 53.050 -0.216 0.000 0.900 261 N CB 0.582 38.948 38.487 -0.202 0.000 1.089 261 N HN -0.038 nan 8.380 nan 0.000 0.449 262 A N 1.888 124.566 122.820 -0.237 0.000 1.873 262 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 262 A C 0.382 177.882 177.584 -0.141 0.000 1.186 262 A CA 1.401 53.369 52.037 -0.115 0.000 0.616 262 A CB -0.175 18.782 19.000 -0.071 0.000 0.823 262 A HN 0.739 nan 8.150 nan 0.000 0.442 263 Q N -2.075 117.618 119.800 -0.180 0.000 2.359 263 Q HA 0.582 4.921 4.340 -0.001 0.000 0.275 263 Q C 0.351 176.220 176.000 -0.218 0.000 1.082 263 Q CA -0.769 54.922 55.803 -0.187 0.000 0.849 263 Q CB 1.104 29.762 28.738 -0.133 0.000 1.377 263 Q HN 0.094 nan 8.270 nan 0.000 0.452 264 L N 0.312 121.396 121.223 -0.232 0.000 2.005 264 L HA 0.130 4.469 4.340 -0.001 0.000 0.207 264 L C 0.281 176.990 176.870 -0.269 0.000 1.072 264 L CA 1.596 56.306 54.840 -0.217 0.000 0.744 264 L CB -0.085 41.830 42.059 -0.241 0.000 0.895 264 L HN 0.614 nan 8.230 nan 0.000 0.433 265 I N -0.862 119.466 120.570 -0.404 0.000 2.404 265 I HA 0.432 4.602 4.170 -0.001 0.000 0.293 265 I C -0.261 175.294 176.117 -0.937 0.000 0.992 265 I CA -0.636 60.270 61.300 -0.655 0.000 1.149 265 I CB 1.696 39.212 38.000 -0.807 0.000 1.315 265 I HN 0.030 nan 8.210 nan 0.000 0.446 266 R N 4.591 124.615 120.500 -0.793 0.000 2.634 266 R HA 0.430 4.769 4.340 -0.001 0.000 0.263 266 R C -1.955 174.110 176.300 -0.391 0.000 1.060 266 R CA -0.736 55.010 56.100 -0.590 0.000 0.898 266 R CB 0.992 31.131 30.300 -0.269 0.000 1.253 266 R HN 0.309 nan 8.270 nan 0.000 0.461 267 Y N 1.073 121.373 120.300 0.000 0.000 2.316 267 Y HA 0.695 5.244 4.550 -0.001 0.000 0.324 267 Y C 0.874 176.810 175.900 0.060 0.000 1.267 267 Y CA -0.273 57.878 58.100 0.086 0.000 1.311 267 Y CB 1.170 39.783 38.460 0.256 0.000 1.267 267 Y HN 0.720 nan 8.280 nan 0.000 0.516 268 A N 0.526 123.468 122.820 0.203 0.000 2.286 268 A HA 0.722 5.042 4.320 -0.001 0.000 0.286 268 A C 0.245 177.707 177.584 -0.203 0.000 1.097 268 A CA 0.011 52.008 52.037 -0.067 0.000 0.821 268 A CB 0.054 18.929 19.000 -0.208 0.000 1.076 268 A HN 0.893 nan 8.150 nan 0.000 0.490 269 G N -0.033 108.588 108.800 -0.298 0.000 2.544 269 G HA2 0.572 4.531 3.960 -0.001 0.000 0.313 269 G HA3 0.572 4.531 3.960 -0.001 0.000 0.313 269 G C -1.348 173.381 174.900 -0.285 0.000 1.316 269 G CA -0.217 44.757 45.100 -0.210 0.000 0.944 269 G HN 0.489 nan 8.290 nan 0.000 0.489 270 Y N 0.483 120.833 120.300 0.082 0.000 2.393 270 Y HA 0.457 5.007 4.550 -0.001 0.000 0.341 270 Y C 0.338 176.300 175.900 0.103 0.000 0.988 270 Y CA -1.068 57.105 58.100 0.122 0.000 1.078 270 Y CB 2.558 41.154 38.460 0.227 0.000 1.203 270 Y HN 0.443 nan 8.280 nan 0.000 0.453 271 Q N 3.565 123.520 119.800 0.258 0.000 2.423 271 Q HA 0.281 4.621 4.340 -0.001 0.000 0.235 271 Q C -0.764 175.320 176.000 0.141 0.000 1.100 271 Q CA -0.253 55.640 55.803 0.151 0.000 0.908 271 Q CB 0.217 29.017 28.738 0.103 0.000 1.312 271 Q HN 0.522 nan 8.270 nan 0.000 0.497 272 M N 4.803 124.462 119.600 0.099 0.000 2.207 272 M HA 0.122 4.602 4.480 -0.001 0.000 0.311 272 M C -1.417 174.871 176.300 -0.019 0.000 1.127 272 M CA -1.941 53.367 55.300 0.014 0.000 1.181 272 M CB -0.377 32.218 32.600 -0.009 0.000 1.409 272 M HN 0.378 nan 8.290 nan 0.000 0.461 273 P HA -0.116 nan 4.420 nan 0.000 0.219 273 P C 0.462 177.737 177.300 -0.041 0.000 1.150 273 P CA 1.103 64.167 63.100 -0.060 0.000 0.814 273 P CB -0.038 31.604 31.700 -0.096 0.000 0.787 274 D N -1.377 118.998 120.400 -0.043 0.000 2.378 274 D HA 0.029 4.669 4.640 -0.001 0.000 0.227 274 D C 1.448 177.738 176.300 -0.017 0.000 1.012 274 D CA 0.862 54.843 54.000 -0.030 0.000 0.905 274 D CB -0.982 39.798 40.800 -0.033 0.000 0.895 274 D HN 0.261 nan 8.370 nan 0.000 0.532 275 G N -0.245 108.549 108.800 -0.010 0.000 2.213 275 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.236 275 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.236 275 G C 0.476 175.382 174.900 0.009 0.000 0.991 275 G CA 0.352 45.453 45.100 0.002 0.000 0.629 275 G HN 0.813 nan 8.290 nan 0.000 0.517 276 S N -0.072 115.632 115.700 0.006 0.000 2.645 276 S HA 0.765 5.234 4.470 -0.001 0.000 0.266 276 S C 0.250 174.868 174.600 0.030 0.000 1.258 276 S CA -0.571 57.636 58.200 0.012 0.000 0.990 276 S CB 1.791 64.993 63.200 0.004 0.000 0.967 276 S HN 0.562 nan 8.310 nan 0.000 0.556 277 I N 0.860 121.446 120.570 0.027 0.000 2.441 277 I HA 0.467 4.637 4.170 -0.001 0.000 0.295 277 I C 0.256 176.394 176.117 0.035 0.000 0.994 277 I CA -0.585 60.740 61.300 0.042 0.000 1.144 277 I CB 1.815 39.824 38.000 0.015 0.000 1.314 277 I HN 0.671 nan 8.210 nan 0.000 0.445 278 R N 4.239 124.798 120.500 0.098 0.000 2.562 278 R HA 0.680 5.020 4.340 -0.001 0.000 0.298 278 R C 0.121 176.472 176.300 0.086 0.000 0.961 278 R CA 0.336 56.494 56.100 0.096 0.000 0.881 278 R CB 1.716 32.117 30.300 0.167 0.000 1.159 278 R HN 0.897 nan 8.270 nan 0.000 0.450 279 G N 2.725 111.484 108.800 -0.069 0.000 2.499 279 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.232 279 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.232 279 G C -1.121 173.524 174.900 -0.426 0.000 1.251 279 G CA 0.014 45.026 45.100 -0.147 0.000 0.917 279 G HN 0.655 nan 8.290 nan 0.000 0.580 280 D N 1.698 121.976 120.400 -0.203 0.000 2.393 280 D HA 0.510 5.150 4.640 -0.001 0.000 0.232 280 D C -0.860 175.399 176.300 -0.067 0.000 1.192 280 D CA -1.908 51.996 54.000 -0.159 0.000 0.882 280 D CB 1.148 42.123 40.800 0.293 0.000 1.038 280 D HN -0.001 nan 8.370 nan 0.000 0.499 281 P HA -0.099 nan 4.420 nan 0.000 0.218 281 P C 0.789 178.105 177.300 0.026 0.000 1.148 281 P CA 0.970 64.053 63.100 -0.029 0.000 0.822 281 P CB 0.256 31.936 31.700 -0.032 0.000 0.784 282 A N -1.351 121.505 122.820 0.059 0.000 2.239 282 A HA -0.059 4.260 4.320 -0.001 0.000 0.209 282 A C 1.730 179.373 177.584 0.098 0.000 1.171 282 A CA 1.195 53.287 52.037 0.091 0.000 0.768 282 A CB -1.025 18.048 19.000 0.121 0.000 0.790 282 A HN 0.109 nan 8.150 nan 0.000 0.478 283 N N -1.457 117.292 118.700 0.083 0.000 2.177 283 N HA 0.152 4.891 4.740 -0.001 0.000 0.218 283 N C 1.023 176.566 175.510 0.055 0.000 1.182 283 N CA 0.186 53.289 53.050 0.089 0.000 0.882 283 N CB 0.413 38.954 38.487 0.091 0.000 1.052 283 N HN 0.055 nan 8.380 nan 0.000 0.519 284 V N 0.530 120.462 119.914 0.030 0.000 2.287 284 V HA -0.233 3.887 4.120 -0.001 0.000 0.248 284 V C 2.246 178.348 176.094 0.014 0.000 1.053 284 V CA 1.930 64.235 62.300 0.009 0.000 1.027 284 V CB -0.314 31.525 31.823 0.027 0.000 0.646 284 V HN 0.465 nan 8.190 nan 0.000 0.447 285 E N -0.366 119.854 120.200 0.034 0.000 2.031 285 E HA -0.273 4.076 4.350 -0.001 0.000 0.193 285 E C 2.133 178.687 176.600 -0.077 0.000 0.994 285 E CA 1.737 58.137 56.400 -0.001 0.000 0.800 285 E CB -0.283 29.443 29.700 0.043 0.000 0.752 285 E HN 0.522 nan 8.360 nan 0.000 0.447 286 F N 1.334 121.169 119.950 -0.192 0.000 2.171 286 F HA -0.164 4.362 4.527 -0.001 0.000 0.300 286 F C 2.276 177.962 175.800 -0.191 0.000 1.090 286 F CA 1.875 59.696 58.000 -0.298 0.000 1.293 286 F CB -0.397 38.474 39.000 -0.215 0.000 1.013 286 F HN 0.016 nan 8.300 nan 0.000 0.486 287 T N -0.433 114.120 114.554 -0.002 0.000 2.788 287 T HA -0.253 4.096 4.350 -0.001 0.000 0.268 287 T C 1.746 176.412 174.700 -0.056 0.000 1.044 287 T CA 1.569 63.648 62.100 -0.035 0.000 1.139 287 T CB -0.309 68.514 68.868 -0.075 0.000 0.867 287 T HN 0.230 nan 8.240 nan 0.000 0.454 288 Q N 0.882 120.636 119.800 -0.078 0.000 2.167 288 Q HA 0.067 4.407 4.340 -0.001 0.000 0.202 288 Q C 2.063 177.982 176.000 -0.135 0.000 0.970 288 Q CA 1.129 56.895 55.803 -0.061 0.000 0.855 288 Q CB -0.700 28.012 28.738 -0.044 0.000 0.911 288 Q HN 0.570 nan 8.270 nan 0.000 0.438 289 L N -0.760 120.300 121.223 -0.272 0.000 2.046 289 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 289 L C 2.065 178.755 176.870 -0.300 0.000 1.077 289 L CA 1.628 56.262 54.840 -0.344 0.000 0.747 289 L CB -0.406 41.287 42.059 -0.611 0.000 0.896 289 L HN 0.346 nan 8.230 nan 0.000 0.432 290 C N -0.066 119.025 119.300 -0.348 0.000 2.429 290 C HA -0.137 4.323 4.460 -0.001 0.000 0.277 290 C C 2.621 177.635 174.990 0.039 0.000 1.262 290 C CA 0.722 59.627 59.018 -0.189 0.000 1.733 290 C CB -0.839 26.786 27.740 -0.193 0.000 2.010 290 C HN 0.566 nan 8.230 nan 0.000 0.483 291 I N 1.086 121.703 120.570 0.078 0.000 2.286 291 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 291 I C 2.008 178.114 176.117 -0.019 0.000 1.115 291 I CA 1.476 62.812 61.300 0.059 0.000 1.392 291 I CB -0.552 37.469 38.000 0.035 0.000 1.065 291 I HN 0.342 nan 8.210 nan 0.000 0.418 292 D N 0.784 121.145 120.400 -0.066 0.000 2.178 292 D HA -0.078 4.561 4.640 -0.001 0.000 0.202 292 D C 2.037 178.268 176.300 -0.115 0.000 0.974 292 D CA 1.130 55.067 54.000 -0.104 0.000 0.841 292 D CB -0.064 40.648 40.800 -0.146 0.000 0.953 292 D HN 0.337 nan 8.370 nan 0.000 0.478 293 L N -0.711 120.453 121.223 -0.099 0.000 2.612 293 L HA 0.213 4.552 4.340 -0.001 0.000 0.230 293 L C 1.423 178.257 176.870 -0.059 0.000 1.140 293 L CA 0.355 55.142 54.840 -0.089 0.000 0.896 293 L CB 0.031 42.034 42.059 -0.092 0.000 1.065 293 L HN 0.119 nan 8.230 nan 0.000 0.447 294 G N -1.290 107.491 108.800 -0.032 0.000 2.184 294 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.206 294 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.206 294 G C -0.183 174.740 174.900 0.038 0.000 0.995 294 G CA -0.438 44.650 45.100 -0.020 0.000 0.651 294 G HN 0.281 nan 8.290 nan 0.000 0.511 295 W N 2.512 123.740 121.300 -0.120 0.000 2.190 295 W HA 0.612 5.272 4.660 -0.001 0.000 0.330 295 W C 0.593 177.065 176.519 -0.079 0.000 1.299 295 W CA -0.695 56.588 57.345 -0.103 0.000 1.215 295 W CB 0.696 30.093 29.460 -0.106 0.000 1.147 295 W HN 0.106 nan 8.180 nan 0.000 0.563 296 K N 8.649 128.606 120.400 -0.738 0.000 2.284 296 K HA 0.215 4.535 4.320 -0.001 0.000 0.287 296 K C -2.118 173.690 176.600 -1.320 0.000 1.081 296 K CA -1.654 54.195 56.287 -0.729 0.000 0.910 296 K CB 0.530 32.754 32.500 -0.460 0.000 1.088 296 K HN 0.206 nan 8.250 nan 0.000 0.478 297 P HA 0.010 nan 4.420 nan 0.000 0.267 297 P C -0.842 175.884 177.300 -0.958 0.000 1.205 297 P CA 0.084 62.541 63.100 -1.071 0.000 0.765 297 P CB 0.864 32.041 31.700 -0.870 0.000 0.828 298 K N 1.812 121.787 120.400 -0.709 0.000 2.361 298 K HA 0.047 4.366 4.320 -0.001 0.000 0.194 298 K C -0.215 176.156 176.600 -0.382 0.000 1.032 298 K CA -0.063 55.998 56.287 -0.376 0.000 1.048 298 K CB -0.321 32.128 32.500 -0.084 0.000 0.842 298 K HN 0.301 nan 8.250 nan 0.000 0.526 299 Y N 0.284 120.065 120.300 -0.865 0.000 3.234 299 Y HA -0.245 4.304 4.550 -0.001 0.000 0.207 299 Y C 0.614 176.309 175.900 -0.342 0.000 1.316 299 Y CA 0.583 58.041 58.100 -1.070 0.000 1.309 299 Y CB -2.149 35.916 38.460 -0.660 0.000 1.408 299 Y HN 0.213 nan 8.280 nan 0.000 0.544 300 G N -0.568 108.274 108.800 0.071 0.000 2.644 300 G HA2 0.615 4.575 3.960 -0.001 0.000 0.307 300 G HA3 0.615 4.575 3.960 -0.001 0.000 0.307 300 G C 0.520 175.533 174.900 0.189 0.000 1.250 300 G CA -1.011 44.175 45.100 0.143 0.000 0.996 300 G HN 0.223 nan 8.290 nan 0.000 0.489 301 R N -1.185 119.318 120.500 0.006 0.000 2.200 301 R HA 0.120 4.460 4.340 -0.001 0.000 0.208 301 R C -0.279 175.668 176.300 -0.588 0.000 1.033 301 R CA 0.859 56.775 56.100 -0.306 0.000 1.000 301 R CB 0.052 29.998 30.300 -0.589 0.000 0.906 301 R HN 0.368 nan 8.270 nan 0.000 0.462 302 F N 0.776 120.700 119.950 -0.043 0.000 2.646 302 F HA 0.267 4.794 4.527 -0.001 0.000 0.336 302 F C -0.993 174.743 175.800 -0.107 0.000 1.437 302 F CA -1.233 56.451 58.000 -0.526 0.000 1.142 302 F CB 0.846 39.263 39.000 -0.970 0.000 1.530 302 F HN -0.295 nan 8.300 nan 0.000 0.591 303 D N 1.768 122.365 120.400 0.329 0.000 2.373 303 D HA 0.279 4.919 4.640 -0.001 0.000 0.227 303 D C 0.071 176.626 176.300 0.426 0.000 1.091 303 D CA -0.132 54.114 54.000 0.410 0.000 0.840 303 D CB 2.332 43.433 40.800 0.501 0.000 1.060 303 D HN -0.005 nan 8.370 nan 0.000 0.502 304 V N 2.699 122.824 119.914 0.351 0.000 2.599 304 V HA 0.003 4.123 4.120 -0.001 0.000 0.300 304 V C 1.037 177.093 176.094 -0.064 0.000 1.034 304 V CA -0.407 61.967 62.300 0.122 0.000 1.115 304 V CB 0.775 32.613 31.823 0.025 0.000 0.934 304 V HN 0.371 nan 8.190 nan 0.000 0.485 305 V N 5.134 124.929 119.914 -0.200 0.000 2.881 305 V HA 0.490 4.610 4.120 -0.001 0.000 0.303 305 V C -1.768 174.051 176.094 -0.458 0.000 1.070 305 V CA -1.702 60.307 62.300 -0.486 0.000 1.074 305 V CB 0.783 32.470 31.823 -0.226 0.000 1.012 305 V HN 0.791 nan 8.190 nan 0.000 0.482 306 P HA 0.237 nan 4.420 nan 0.000 0.271 306 P C -0.355 176.851 177.300 -0.157 0.000 1.218 306 P CA -0.339 62.497 63.100 -0.440 0.000 0.780 306 P CB 0.763 32.071 31.700 -0.653 0.000 0.901 307 L N 1.952 123.162 121.223 -0.022 0.000 2.426 307 L HA 0.170 4.509 4.340 -0.001 0.000 0.271 307 L C 0.389 177.313 176.870 0.090 0.000 1.169 307 L CA -0.391 54.507 54.840 0.096 0.000 0.836 307 L CB 0.617 42.793 42.059 0.195 0.000 1.112 307 L HN 0.137 nan 8.230 nan 0.000 0.465 308 V N 5.610 125.613 119.914 0.149 0.000 2.304 308 V HA 0.339 4.459 4.120 -0.001 0.000 0.278 308 V C -0.007 176.074 176.094 -0.023 0.000 1.018 308 V CA -0.339 61.973 62.300 0.020 0.000 0.814 308 V CB 1.174 33.057 31.823 0.099 0.000 1.021 308 V HN 0.472 nan 8.190 nan 0.000 0.440 309 L N 4.731 125.924 121.223 -0.049 0.000 2.296 309 L HA 0.600 4.940 4.340 -0.001 0.000 0.286 309 L C -0.014 176.721 176.870 -0.225 0.000 1.023 309 L CA -0.327 54.476 54.840 -0.062 0.000 0.812 309 L CB 1.733 43.827 42.059 0.059 0.000 1.223 309 L HN 0.615 nan 8.230 nan 0.000 0.421 310 Q N 3.213 122.866 119.800 -0.245 0.000 2.347 310 Q HA 0.672 5.012 4.340 -0.001 0.000 0.262 310 Q C -1.216 174.582 176.000 -0.338 0.000 0.980 310 Q CA -0.594 55.029 55.803 -0.299 0.000 0.867 310 Q CB 1.876 30.526 28.738 -0.148 0.000 1.242 310 Q HN 0.764 nan 8.270 nan 0.000 0.453 311 A N 4.443 127.012 122.820 -0.419 0.000 2.318 311 A HA 0.337 4.657 4.320 -0.001 0.000 0.324 311 A C 0.231 177.284 177.584 -0.885 0.000 1.170 311 A CA -0.483 51.087 52.037 -0.779 0.000 0.810 311 A CB 0.740 19.539 19.000 -0.336 0.000 1.198 311 A HN 1.089 nan 8.150 nan 0.000 0.484 312 N N 1.018 118.700 118.700 -1.696 0.000 2.710 312 N HA -0.267 4.473 4.740 -0.001 0.000 0.249 312 N C 1.035 176.434 175.510 -0.185 0.000 1.059 312 N CA 1.730 54.375 53.050 -0.675 0.000 0.720 312 N CB -0.658 37.699 38.487 -0.216 0.000 0.983 312 N HN 2.161 nan 8.380 nan 0.000 0.544 313 G N -0.806 107.848 108.800 -0.243 0.000 2.179 313 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.260 313 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.260 313 G C 0.349 175.218 174.900 -0.052 0.000 0.977 313 G CA 0.782 45.825 45.100 -0.095 0.000 0.641 313 G HN 0.602 nan 8.290 nan 0.000 0.533 314 R N 0.861 121.289 120.500 -0.120 0.000 2.774 314 R HA 0.433 4.772 4.340 -0.001 0.000 0.269 314 R C 0.142 176.330 176.300 -0.186 0.000 1.068 314 R CA -0.254 55.787 56.100 -0.098 0.000 1.180 314 R CB 0.214 30.446 30.300 -0.114 0.000 1.077 314 R HN 0.216 nan 8.270 nan 0.000 0.513 315 D N 2.565 122.868 120.400 -0.162 0.000 2.449 315 D HA 0.032 4.672 4.640 -0.001 0.000 0.236 315 D C -2.044 173.952 176.300 -0.506 0.000 1.149 315 D CA -0.811 52.949 54.000 -0.400 0.000 0.878 315 D CB 0.296 41.042 40.800 -0.089 0.000 1.198 315 D HN 0.239 nan 8.370 nan 0.000 0.446 316 P HA 0.114 nan 4.420 nan 0.000 0.272 316 P C -0.770 176.278 177.300 -0.418 0.000 1.223 316 P CA -0.183 62.457 63.100 -0.766 0.000 0.784 316 P CB 0.967 31.802 31.700 -1.442 0.000 0.923 317 E N 0.855 120.884 120.200 -0.285 0.000 2.222 317 E HA 0.413 4.762 4.350 -0.001 0.000 0.267 317 E C -0.774 175.575 176.600 -0.418 0.000 0.884 317 E CA -1.010 55.212 56.400 -0.297 0.000 0.764 317 E CB 1.285 30.865 29.700 -0.201 0.000 1.169 317 E HN 0.254 nan 8.360 nan 0.000 0.413 318 L N 2.663 123.530 121.223 -0.594 0.000 2.371 318 L HA 0.407 4.747 4.340 -0.001 0.000 0.272 318 L C -0.927 175.328 176.870 -1.025 0.000 1.124 318 L CA 0.413 54.921 54.840 -0.554 0.000 0.816 318 L CB -0.011 41.835 42.059 -0.354 0.000 1.129 318 L HN 0.459 nan 8.230 nan 0.000 0.448 319 F N 0.867 120.631 119.950 -0.310 0.000 2.607 319 F HA 0.347 4.874 4.527 -0.001 0.000 0.322 319 F C 0.020 175.620 175.800 -0.333 0.000 1.176 319 F CA -0.772 56.900 58.000 -0.546 0.000 0.977 319 F CB 1.357 39.740 39.000 -1.029 0.000 1.242 319 F HN 0.393 nan 8.300 nan 0.000 0.465 320 E N 3.799 123.942 120.200 -0.096 0.000 2.227 320 E HA 0.442 4.792 4.350 -0.001 0.000 0.282 320 E C -0.426 176.315 176.600 0.234 0.000 1.015 320 E CA -0.688 55.732 56.400 0.033 0.000 0.823 320 E CB 1.927 31.654 29.700 0.045 0.000 1.081 320 E HN 0.474 nan 8.360 nan 0.000 0.396 321 I N 4.670 125.384 120.570 0.240 0.000 2.618 321 I HA 0.025 4.195 4.170 -0.001 0.000 0.284 321 I C -1.994 174.226 176.117 0.172 0.000 1.146 321 I CA -1.726 59.724 61.300 0.251 0.000 1.425 321 I CB -0.030 38.025 38.000 0.092 0.000 1.383 321 I HN 0.203 nan 8.210 nan 0.000 0.562 322 P HA -0.023 nan 4.420 nan 0.000 0.260 322 P C -1.995 175.352 177.300 0.079 0.000 1.172 322 P CA -0.651 62.520 63.100 0.117 0.000 0.760 322 P CB 0.053 31.803 31.700 0.082 0.000 0.773 323 P HA -0.276 nan 4.420 nan 0.000 0.217 323 P C 0.983 178.313 177.300 0.050 0.000 1.158 323 P CA 1.888 65.030 63.100 0.070 0.000 0.887 323 P CB -0.276 31.469 31.700 0.075 0.000 0.792 324 D N -1.018 119.408 120.400 0.043 0.000 2.265 324 D HA -0.161 4.478 4.640 -0.001 0.000 0.208 324 D C 1.467 177.779 176.300 0.020 0.000 0.977 324 D CA 0.900 54.917 54.000 0.029 0.000 0.871 324 D CB -1.089 39.726 40.800 0.025 0.000 0.925 324 D HN 0.189 nan 8.370 nan 0.000 0.485 325 L N 0.297 121.531 121.223 0.018 0.000 2.591 325 L HA 0.172 4.512 4.340 -0.001 0.000 0.228 325 L C -0.016 176.856 176.870 0.004 0.000 1.133 325 L CA -0.152 54.690 54.840 0.003 0.000 0.880 325 L CB 0.509 42.558 42.059 -0.016 0.000 1.033 325 L HN 0.029 nan 8.230 nan 0.000 0.450 326 V N 1.746 121.670 119.914 0.015 0.000 2.259 326 V HA 0.176 4.296 4.120 -0.001 0.000 0.267 326 V C 0.006 176.121 176.094 0.035 0.000 1.051 326 V CA -0.591 61.719 62.300 0.017 0.000 0.830 326 V CB 1.455 33.290 31.823 0.020 0.000 1.080 326 V HN 0.032 nan 8.190 nan 0.000 0.467 327 L N 5.283 126.527 121.223 0.036 0.000 2.367 327 L HA 0.465 4.804 4.340 -0.001 0.000 0.275 327 L C 0.181 177.074 176.870 0.037 0.000 1.129 327 L CA 0.743 55.596 54.840 0.022 0.000 0.839 327 L CB 0.426 42.489 42.059 0.008 0.000 1.133 327 L HN 0.652 nan 8.230 nan 0.000 0.453 328 E N 3.124 123.326 120.200 0.003 0.000 2.359 328 E HA 0.644 4.993 4.350 -0.001 0.000 0.266 328 E C -1.516 175.021 176.600 -0.106 0.000 0.920 328 E CA -1.024 55.375 56.400 -0.001 0.000 0.788 328 E CB 2.480 32.209 29.700 0.047 0.000 1.279 328 E HN 0.361 nan 8.360 nan 0.000 0.438 329 V N 1.391 121.217 119.914 -0.146 0.000 2.443 329 V HA 0.452 4.572 4.120 -0.001 0.000 0.293 329 V C -0.359 175.696 176.094 -0.064 0.000 1.021 329 V CA -0.859 61.315 62.300 -0.209 0.000 0.848 329 V CB 1.394 32.889 31.823 -0.547 0.000 0.998 329 V HN 0.798 nan 8.190 nan 0.000 0.424 330 A N 6.885 129.677 122.820 -0.047 0.000 2.450 330 A HA 0.635 4.955 4.320 -0.001 0.000 0.255 330 A C 0.175 177.805 177.584 0.077 0.000 1.096 330 A CA -0.296 51.742 52.037 0.001 0.000 0.778 330 A CB 0.117 19.116 19.000 -0.003 0.000 1.031 330 A HN 0.706 nan 8.150 nan 0.000 0.494 331 M N 2.550 122.248 119.600 0.163 0.000 2.188 331 M HA 0.299 4.778 4.480 -0.001 0.000 0.354 331 M C -0.044 176.482 176.300 0.376 0.000 1.342 331 M CA 0.697 56.187 55.300 0.316 0.000 1.117 331 M CB -0.231 32.660 32.600 0.486 0.000 1.670 331 M HN 0.766 nan 8.290 nan 0.000 0.466 332 E N 0.815 121.198 120.200 0.306 0.000 2.383 332 E HA 0.431 4.781 4.350 -0.001 0.000 0.275 332 E C -1.495 175.182 176.600 0.129 0.000 0.918 332 E CA -0.788 55.785 56.400 0.288 0.000 0.764 332 E CB 2.297 32.117 29.700 0.198 0.000 1.252 332 E HN 0.611 nan 8.360 nan 0.000 0.449 333 H N 2.165 121.168 119.070 -0.110 0.000 2.457 333 H HA 0.265 4.821 4.556 -0.001 0.000 0.335 333 H C -1.731 173.372 175.328 -0.375 0.000 1.115 333 H CA -2.214 53.611 56.048 -0.371 0.000 1.219 333 H CB 1.421 30.865 29.762 -0.530 0.000 1.471 333 H HN 0.271 nan 8.280 nan 0.000 0.491 334 P HA -0.164 nan 4.420 nan 0.000 0.223 334 P C 0.019 177.074 177.300 -0.408 0.000 1.144 334 P CA 1.473 64.028 63.100 -0.910 0.000 0.783 334 P CB 0.388 31.455 31.700 -1.055 0.000 0.771 335 K N -3.003 117.253 120.400 -0.239 0.000 2.550 335 K HA 0.083 4.403 4.320 -0.001 0.000 0.205 335 K C 0.174 176.686 176.600 -0.146 0.000 1.429 335 K CA -0.241 55.933 56.287 -0.189 0.000 0.997 335 K CB -0.090 32.238 32.500 -0.287 0.000 1.328 335 K HN -0.126 nan 8.250 nan 0.000 0.546 336 Y N 4.290 124.570 120.300 -0.033 0.000 2.616 336 Y HA 0.103 4.652 4.550 -0.001 0.000 0.350 336 Y C 0.497 176.082 175.900 -0.524 0.000 1.119 336 Y CA -0.780 57.020 58.100 -0.501 0.000 1.467 336 Y CB 0.372 38.161 38.460 -1.118 0.000 1.287 336 Y HN 0.218 nan 8.280 nan 0.000 0.504 337 E N 1.094 121.231 120.200 -0.105 0.000 2.219 337 E HA -0.253 4.096 4.350 -0.001 0.000 0.198 337 E C 1.578 178.195 176.600 0.029 0.000 0.998 337 E CA 1.554 57.952 56.400 -0.003 0.000 0.818 337 E CB -0.607 29.143 29.700 0.083 0.000 0.741 337 E HN 0.834 nan 8.360 nan 0.000 0.477 338 W N -0.460 120.959 121.300 0.199 0.000 2.937 338 W HA 0.173 4.833 4.660 -0.001 0.000 0.245 338 W C 1.027 177.631 176.519 0.141 0.000 1.306 338 W CA -0.389 57.033 57.345 0.128 0.000 1.470 338 W CB -0.844 28.654 29.460 0.063 0.000 1.132 338 W HN -0.050 nan 8.180 nan 0.000 0.675 339 F N 2.921 122.649 119.950 -0.370 0.000 2.202 339 F HA -0.122 4.405 4.527 -0.001 0.000 0.301 339 F C 2.631 178.467 175.800 0.060 0.000 1.082 339 F CA 1.873 59.757 58.000 -0.194 0.000 1.313 339 F CB -0.211 38.616 39.000 -0.289 0.000 1.024 339 F HN -0.269 nan 8.300 nan 0.000 0.495 340 R N 0.276 120.889 120.500 0.188 0.000 2.152 340 R HA -0.152 4.188 4.340 -0.001 0.000 0.232 340 R C 1.879 178.231 176.300 0.087 0.000 1.117 340 R CA 1.450 57.632 56.100 0.137 0.000 0.981 340 R CB -0.547 29.829 30.300 0.126 0.000 0.870 340 R HN 0.476 nan 8.270 nan 0.000 0.451 341 E N 0.686 120.958 120.200 0.119 0.000 2.268 341 E HA -0.127 4.223 4.350 -0.001 0.000 0.195 341 E C 1.846 178.472 176.600 0.043 0.000 0.995 341 E CA 0.635 57.094 56.400 0.100 0.000 0.836 341 E CB -0.049 29.740 29.700 0.149 0.000 0.763 341 E HN 0.336 nan 8.360 nan 0.000 0.491 342 L N 0.727 121.936 121.223 -0.023 0.000 2.291 342 L HA -0.074 4.266 4.340 -0.001 0.000 0.214 342 L C 0.418 177.263 176.870 -0.042 0.000 1.120 342 L CA 0.523 55.300 54.840 -0.105 0.000 0.799 342 L CB -0.425 41.420 42.059 -0.356 0.000 0.925 342 L HN 0.097 nan 8.230 nan 0.000 0.446 343 E N 0.802 120.998 120.200 -0.006 0.000 2.252 343 E HA -0.212 4.137 4.350 -0.001 0.000 0.218 343 E C -0.475 176.173 176.600 0.079 0.000 1.253 343 E CA 0.125 56.555 56.400 0.051 0.000 0.705 343 E CB -1.592 28.162 29.700 0.090 0.000 1.172 343 E HN 0.427 nan 8.360 nan 0.000 0.369 344 L N 0.412 121.629 121.223 -0.011 0.000 2.332 344 L HA 0.644 4.984 4.340 -0.001 0.000 0.269 344 L C 0.416 177.181 176.870 -0.174 0.000 1.016 344 L CA -0.527 54.273 54.840 -0.068 0.000 0.809 344 L CB 1.397 43.338 42.059 -0.197 0.000 1.280 344 L HN 0.157 nan 8.230 nan 0.000 0.447 345 K N -0.612 119.546 120.400 -0.403 0.000 2.615 345 K HA 0.447 4.767 4.320 -0.001 0.000 0.291 345 K C -2.092 174.539 176.600 0.052 0.000 1.017 345 K CA -1.040 55.134 56.287 -0.188 0.000 0.882 345 K CB 2.057 34.342 32.500 -0.358 0.000 1.522 345 K HN 0.588 nan 8.250 nan 0.000 0.412 346 W N 1.755 123.051 121.300 -0.007 0.000 3.075 346 W HA 0.402 5.062 4.660 -0.001 0.000 0.334 346 W C -1.379 175.211 176.519 0.117 0.000 1.243 346 W CA -0.863 56.544 57.345 0.104 0.000 1.170 346 W CB 1.778 31.185 29.460 -0.088 0.000 1.452 346 W HN 0.702 nan 8.180 nan 0.000 0.572 347 Y N 0.747 120.924 120.300 -0.205 0.000 2.320 347 Y HA 0.611 5.161 4.550 -0.001 0.000 0.324 347 Y C 0.696 176.766 175.900 0.284 0.000 1.190 347 Y CA -0.174 57.892 58.100 -0.057 0.000 1.215 347 Y CB 0.596 38.892 38.460 -0.275 0.000 1.221 347 Y HN 0.348 nan 8.280 nan 0.000 0.486 348 A N 2.512 125.538 122.820 0.343 0.000 2.016 348 A HA 0.069 4.388 4.320 -0.001 0.000 0.217 348 A C 0.450 178.353 177.584 0.532 0.000 1.162 348 A CA 0.336 52.635 52.037 0.436 0.000 0.662 348 A CB -0.293 18.798 19.000 0.152 0.000 0.812 348 A HN 0.690 nan 8.150 nan 0.000 0.450 349 L N 1.960 123.444 121.223 0.435 0.000 2.257 349 L HA 0.419 4.759 4.340 -0.001 0.000 0.290 349 L C -2.542 174.474 176.870 0.244 0.000 1.044 349 L CA -2.123 52.878 54.840 0.269 0.000 0.810 349 L CB 1.596 43.739 42.059 0.140 0.000 1.193 349 L HN -0.014 nan 8.230 nan 0.000 0.425 350 P HA 0.404 nan 4.420 nan 0.000 0.297 350 P C -1.640 175.558 177.300 -0.170 0.000 1.342 350 P CA -0.430 62.531 63.100 -0.232 0.000 0.801 350 P CB 1.590 32.776 31.700 -0.857 0.000 0.920 351 A N 4.174 126.896 122.820 -0.164 0.000 2.385 351 A HA 0.421 4.741 4.320 -0.001 0.000 0.290 351 A C -0.497 176.858 177.584 -0.382 0.000 1.094 351 A CA -0.676 51.197 52.037 -0.273 0.000 0.729 351 A CB 1.221 20.055 19.000 -0.277 0.000 1.194 351 A HN 0.288 nan 8.150 nan 0.000 0.442 352 V N 2.818 122.341 119.914 -0.650 0.000 2.415 352 V HA 0.301 4.421 4.120 -0.001 0.000 0.267 352 V C 1.316 176.965 176.094 -0.742 0.000 1.042 352 V CA 0.996 62.861 62.300 -0.726 0.000 1.000 352 V CB 0.677 31.915 31.823 -0.975 0.000 1.015 352 V HN 1.104 nan 8.190 nan 0.000 0.478 353 A N 4.742 127.336 122.820 -0.378 0.000 2.220 353 A HA 0.092 4.411 4.320 -0.001 0.000 0.211 353 A C 1.327 178.855 177.584 -0.093 0.000 1.176 353 A CA 0.511 52.416 52.037 -0.221 0.000 0.834 353 A CB -0.130 18.788 19.000 -0.137 0.000 0.868 353 A HN 0.839 nan 8.150 nan 0.000 0.488 354 N N -0.719 117.928 118.700 -0.088 0.000 2.338 354 N HA 0.259 4.999 4.740 -0.001 0.000 0.251 354 N C -0.239 175.303 175.510 0.054 0.000 1.199 354 N CA -0.167 52.888 53.050 0.008 0.000 0.879 354 N CB -0.313 38.178 38.487 0.006 0.000 1.159 354 N HN 0.335 nan 8.380 nan 0.000 0.514 355 M N 0.138 119.776 119.600 0.063 0.000 2.613 355 M HA 0.411 4.891 4.480 -0.001 0.000 0.301 355 M C -0.577 175.866 176.300 0.238 0.000 1.205 355 M CA -1.010 54.389 55.300 0.165 0.000 0.950 355 M CB 2.042 34.751 32.600 0.182 0.000 1.585 355 M HN 0.059 nan 8.290 nan 0.000 0.490 356 L N 1.717 123.107 121.223 0.278 0.000 2.313 356 L HA 0.515 4.854 4.340 -0.001 0.000 0.283 356 L C -1.398 175.670 176.870 0.329 0.000 1.013 356 L CA -0.603 54.410 54.840 0.287 0.000 0.816 356 L CB 1.082 43.274 42.059 0.222 0.000 1.236 356 L HN 0.599 nan 8.230 nan 0.000 0.419 357 L N 5.232 126.636 121.223 0.301 0.000 2.281 357 L HA 0.359 4.698 4.340 -0.001 0.000 0.285 357 L C -0.262 176.718 176.870 0.183 0.000 1.074 357 L CA -0.130 54.779 54.840 0.115 0.000 0.817 357 L CB 0.914 42.974 42.059 0.002 0.000 1.168 357 L HN 0.674 nan 8.230 nan 0.000 0.434 358 E N 5.055 125.337 120.200 0.135 0.000 2.151 358 E HA 0.392 4.742 4.350 -0.001 0.000 0.275 358 E C -1.793 174.842 176.600 0.059 0.000 0.936 358 E CA -0.537 55.974 56.400 0.184 0.000 0.777 358 E CB 1.846 31.753 29.700 0.344 0.000 1.108 358 E HN 0.364 nan 8.360 nan 0.000 0.401 359 V N 2.922 122.858 119.914 0.038 0.000 2.524 359 V HA 0.338 4.458 4.120 -0.001 0.000 0.297 359 V C 0.762 176.805 176.094 -0.086 0.000 1.035 359 V CA -0.357 61.852 62.300 -0.150 0.000 0.867 359 V CB 1.499 33.109 31.823 -0.355 0.000 1.004 359 V HN 0.885 nan 8.190 nan 0.000 0.426 360 G N 3.194 112.013 108.800 0.032 0.000 2.416 360 G HA2 0.049 4.009 3.960 -0.001 0.000 0.301 360 G HA3 0.049 4.009 3.960 -0.001 0.000 0.301 360 G C 1.293 176.330 174.900 0.228 0.000 0.985 360 G CA 1.395 46.632 45.100 0.228 0.000 0.934 360 G HN 2.383 nan 8.290 nan 0.000 0.513 361 G N -2.587 106.293 108.800 0.134 0.000 2.254 361 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.225 361 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.225 361 G C 0.334 175.251 174.900 0.029 0.000 1.003 361 G CA 0.328 45.489 45.100 0.101 0.000 0.622 361 G HN 1.122 nan 8.290 nan 0.000 0.507 362 L N 1.629 122.845 121.223 -0.011 0.000 2.397 362 L HA 0.635 4.975 4.340 -0.001 0.000 0.271 362 L C 0.425 177.260 176.870 -0.059 0.000 1.148 362 L CA 0.022 54.779 54.840 -0.139 0.000 0.825 362 L CB 1.129 43.044 42.059 -0.240 0.000 1.117 362 L HN 0.346 nan 8.230 nan 0.000 0.456 363 E N 2.587 122.671 120.200 -0.193 0.000 2.199 363 E HA 0.389 4.738 4.350 -0.001 0.000 0.265 363 E C -1.443 175.042 176.600 -0.191 0.000 0.882 363 E CA -0.278 56.088 56.400 -0.057 0.000 0.759 363 E CB 1.436 31.103 29.700 -0.055 0.000 1.148 363 E HN 0.214 nan 8.360 nan 0.000 0.412 364 F N 3.404 123.366 119.950 0.020 0.000 2.307 364 F HA 0.310 4.837 4.527 -0.001 0.000 0.369 364 F C -1.819 174.051 175.800 0.116 0.000 1.076 364 F CA -2.332 55.702 58.000 0.057 0.000 1.149 364 F CB 1.309 40.328 39.000 0.030 0.000 1.410 364 F HN 0.369 nan 8.300 nan 0.000 0.481 365 P HA -0.009 nan 4.420 nan 0.000 0.231 365 P C 0.506 177.964 177.300 0.263 0.000 1.158 365 P CA 0.659 63.882 63.100 0.204 0.000 0.763 365 P CB 0.437 32.221 31.700 0.141 0.000 0.805 366 G N -0.123 108.893 108.800 0.360 0.000 2.730 366 G HA2 0.480 4.440 3.960 -0.001 0.000 0.291 366 G HA3 0.480 4.440 3.960 -0.001 0.000 0.291 366 G C -0.733 174.427 174.900 0.434 0.000 1.456 366 G CA -0.442 44.936 45.100 0.463 0.000 0.996 366 G HN 0.162 nan 8.290 nan 0.000 0.528 367 C N 0.802 120.285 119.300 0.306 0.000 3.079 367 C HA 0.404 4.864 4.460 -0.001 0.000 0.246 367 C C -2.924 172.164 174.990 0.163 0.000 1.025 367 C CA -1.933 57.200 59.018 0.192 0.000 1.081 367 C CB 0.027 27.917 27.740 0.250 0.000 1.757 367 C HN 0.445 nan 8.230 nan 0.000 0.646 368 P HA 0.331 nan 4.420 nan 0.000 0.264 368 P C -0.329 176.981 177.300 0.015 0.000 1.193 368 P CA 0.807 63.849 63.100 -0.098 0.000 0.763 368 P CB 0.078 31.718 31.700 -0.101 0.000 0.810 369 F N 1.022 120.904 119.950 -0.114 0.000 2.611 369 F HA 0.747 5.274 4.527 -0.001 0.000 0.324 369 F C -0.338 175.359 175.800 -0.173 0.000 1.061 369 F CA -1.099 56.823 58.000 -0.131 0.000 0.954 369 F CB 1.669 40.443 39.000 -0.378 0.000 1.301 369 F HN 0.262 nan 8.300 nan 0.000 0.482 370 N N -0.273 118.495 118.700 0.113 0.000 2.610 370 N HA 0.749 5.489 4.740 -0.001 0.000 0.264 370 N C -1.275 174.177 175.510 -0.096 0.000 1.348 370 N CA -0.452 52.592 53.050 -0.010 0.000 0.819 370 N CB 1.876 40.395 38.487 0.055 0.000 1.521 370 N HN 1.106 nan 8.380 nan 0.000 0.497 371 G N -1.091 107.628 108.800 -0.136 0.000 2.976 371 G HA2 0.651 4.611 3.960 -0.001 0.000 0.276 371 G HA3 0.651 4.611 3.960 -0.001 0.000 0.276 371 G C -1.934 172.952 174.900 -0.024 0.000 1.207 371 G CA -0.777 44.183 45.100 -0.233 0.000 0.803 371 G HN 0.705 nan 8.290 nan 0.000 0.572 372 W N -1.612 119.687 121.300 -0.002 0.000 2.762 372 W HA 0.819 5.479 4.660 -0.000 0.000 0.355 372 W C -1.436 175.078 176.519 -0.009 0.000 1.124 372 W CA -2.033 55.326 57.345 0.023 0.000 1.141 372 W CB 0.513 30.029 29.460 0.093 0.000 1.432 372 W HN 0.390 nan 8.180 nan 0.000 0.586 373 Y N 2.424 122.915 120.300 0.318 0.000 2.359 373 Y HA 0.225 4.775 4.550 -0.001 0.000 0.330 373 Y C 0.761 176.697 175.900 0.060 0.000 1.143 373 Y CA -0.673 57.480 58.100 0.089 0.000 1.318 373 Y CB 1.157 39.568 38.460 -0.082 0.000 1.234 373 Y HN 0.370 nan 8.280 nan 0.000 0.522 374 M N 3.444 123.181 119.600 0.228 0.000 2.113 374 M HA 0.302 4.781 4.480 -0.001 0.000 0.352 374 M C 1.236 177.520 176.300 -0.027 0.000 1.170 374 M CA 0.007 55.369 55.300 0.103 0.000 1.053 374 M CB 0.930 33.569 32.600 0.064 0.000 1.601 374 M HN 0.910 nan 8.290 nan 0.000 0.459 375 G N 2.295 111.031 108.800 -0.107 0.000 2.656 375 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.223 375 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.223 375 G C 1.137 175.867 174.900 -0.284 0.000 1.130 375 G CA 1.986 46.941 45.100 -0.242 0.000 0.758 375 G HN 0.878 nan 8.290 nan 0.000 0.608 376 T N -0.730 113.686 114.554 -0.230 0.000 2.803 376 T HA -0.069 4.281 4.350 -0.001 0.000 0.269 376 T C 1.944 176.466 174.700 -0.298 0.000 1.052 376 T CA 1.648 63.568 62.100 -0.301 0.000 1.136 376 T CB -0.329 68.311 68.868 -0.379 0.000 0.864 376 T HN 0.562 nan 8.240 nan 0.000 0.467 377 E N 0.997 121.047 120.200 -0.251 0.000 2.085 377 E HA -0.078 4.272 4.350 -0.001 0.000 0.194 377 E C 2.122 178.444 176.600 -0.464 0.000 0.994 377 E CA 1.495 57.757 56.400 -0.229 0.000 0.801 377 E CB -0.350 29.353 29.700 0.005 0.000 0.743 377 E HN 0.604 nan 8.360 nan 0.000 0.453 378 I N 0.155 120.279 120.570 -0.743 0.000 2.270 378 I HA -0.056 4.114 4.170 -0.001 0.000 0.239 378 I C 2.632 178.139 176.117 -1.017 0.000 1.080 378 I CA 0.904 61.463 61.300 -1.236 0.000 1.383 378 I CB -0.686 36.419 38.000 -1.491 0.000 1.097 378 I HN 0.114 nan 8.210 nan 0.000 0.420 379 G N 0.865 109.292 108.800 -0.621 0.000 2.446 379 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.217 379 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.217 379 G C 1.632 176.455 174.900 -0.128 0.000 1.168 379 G CA 1.198 46.143 45.100 -0.259 0.000 0.771 379 G HN 0.237 nan 8.290 nan 0.000 0.551 380 V N 0.101 119.896 119.914 -0.197 0.000 2.492 380 V HA 0.077 4.197 4.120 -0.001 0.000 0.241 380 V C 2.817 178.841 176.094 -0.118 0.000 1.041 380 V CA 0.984 63.204 62.300 -0.133 0.000 1.057 380 V CB -0.217 31.500 31.823 -0.176 0.000 0.711 380 V HN 0.122 nan 8.190 nan 0.000 0.468 381 R N 0.743 121.135 120.500 -0.180 0.000 2.051 381 R HA -0.012 4.327 4.340 -0.001 0.000 0.225 381 R C 1.990 178.231 176.300 -0.098 0.000 1.155 381 R CA 1.496 57.515 56.100 -0.135 0.000 0.945 381 R CB -1.144 29.066 30.300 -0.151 0.000 0.840 381 R HN 0.460 nan 8.270 nan 0.000 0.432 382 D N 0.446 120.694 120.400 -0.254 0.000 2.117 382 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 382 D C 1.835 178.201 176.300 0.109 0.000 0.987 382 D CA 1.082 54.950 54.000 -0.221 0.000 0.829 382 D CB -0.156 40.053 40.800 -0.985 0.000 0.961 382 D HN 0.087 nan 8.370 nan 0.000 0.460 383 F N 0.173 120.036 119.950 -0.144 0.000 2.416 383 F HA 0.046 4.573 4.527 -0.001 0.000 0.296 383 F C 2.278 178.126 175.800 0.080 0.000 1.099 383 F CA -0.316 57.691 58.000 0.011 0.000 1.427 383 F CB -0.537 38.447 39.000 -0.026 0.000 1.079 383 F HN 0.040 nan 8.300 nan 0.000 0.536 384 C N -1.366 118.059 119.300 0.209 0.000 3.019 384 C HA 0.190 4.649 4.460 -0.001 0.000 0.295 384 C C 0.484 175.525 174.990 0.086 0.000 1.256 384 C CA -0.597 58.500 59.018 0.131 0.000 1.706 384 C CB -0.424 27.362 27.740 0.077 0.000 2.153 384 C HN 0.066 nan 8.230 nan 0.000 0.618 385 D N 1.000 121.444 120.400 0.073 0.000 2.472 385 D HA 0.052 4.692 4.640 -0.001 0.000 0.237 385 D C 1.084 177.430 176.300 0.075 0.000 1.141 385 D CA 0.326 54.357 54.000 0.052 0.000 0.875 385 D CB 0.937 41.765 40.800 0.047 0.000 1.192 385 D HN -0.041 nan 8.370 nan 0.000 0.450 386 V N 2.049 121.996 119.914 0.054 0.000 2.667 386 V HA -0.162 3.958 4.120 -0.001 0.000 0.252 386 V C 1.808 177.935 176.094 0.055 0.000 1.065 386 V CA 1.280 63.615 62.300 0.058 0.000 1.083 386 V CB -0.226 31.625 31.823 0.046 0.000 0.692 386 V HN 0.466 nan 8.190 nan 0.000 0.468 387 Q N -0.505 119.327 119.800 0.053 0.000 2.365 387 Q HA 0.162 4.502 4.340 -0.001 0.000 0.203 387 Q C 1.164 177.199 176.000 0.058 0.000 0.929 387 Q CA 0.303 56.135 55.803 0.049 0.000 0.948 387 Q CB 0.269 29.035 28.738 0.048 0.000 1.043 387 Q HN 0.520 nan 8.270 nan 0.000 0.505 388 R N -1.286 119.265 120.500 0.086 0.000 2.769 388 R HA 0.235 4.575 4.340 -0.001 0.000 0.117 388 R C 1.476 177.825 176.300 0.083 0.000 1.152 388 R CA -0.503 55.675 56.100 0.130 0.000 0.887 388 R CB -1.022 29.423 30.300 0.241 0.000 1.099 388 R HN 0.016 nan 8.270 nan 0.000 0.398 389 Y N 1.683 122.109 120.300 0.210 0.000 2.373 389 Y HA -0.010 4.539 4.550 -0.001 0.000 0.293 389 Y C 0.727 176.699 175.900 0.119 0.000 1.129 389 Y CA 1.097 59.311 58.100 0.190 0.000 1.226 389 Y CB -0.224 38.408 38.460 0.287 0.000 1.000 389 Y HN 0.524 nan 8.280 nan 0.000 0.549 390 N N 1.123 119.966 118.700 0.238 0.000 2.669 390 N HA -0.221 4.518 4.740 -0.001 0.000 0.266 390 N C 0.459 176.054 175.510 0.142 0.000 1.024 390 N CA 0.450 53.594 53.050 0.157 0.000 0.766 390 N CB -0.938 37.611 38.487 0.103 0.000 0.898 390 N HN 0.648 nan 8.380 nan 0.000 0.548 391 I N -2.451 118.210 120.570 0.151 0.000 3.883 391 I HA 0.020 4.190 4.170 -0.001 0.000 0.326 391 I C 1.909 178.106 176.117 0.133 0.000 1.283 391 I CA -0.425 60.936 61.300 0.101 0.000 1.161 391 I CB -0.021 37.995 38.000 0.026 0.000 1.012 391 I HN 0.158 nan 8.210 nan 0.000 0.421 392 L N 1.737 123.061 121.223 0.169 0.000 2.010 392 L HA -0.258 4.081 4.340 -0.001 0.000 0.219 392 L C 2.630 179.720 176.870 0.367 0.000 1.077 392 L CA 2.029 57.005 54.840 0.226 0.000 0.773 392 L CB -0.936 41.209 42.059 0.144 0.000 0.892 392 L HN 0.385 nan 8.230 nan 0.000 0.436 393 E N -0.131 120.266 120.200 0.328 0.000 2.033 393 E HA -0.270 4.080 4.350 -0.001 0.000 0.199 393 E C 2.037 178.655 176.600 0.030 0.000 1.011 393 E CA 1.862 58.398 56.400 0.227 0.000 0.815 393 E CB -0.145 29.637 29.700 0.137 0.000 0.755 393 E HN 0.811 nan 8.360 nan 0.000 0.451 394 E N -0.064 120.145 120.200 0.015 0.000 2.150 394 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 394 E C 2.255 178.793 176.600 -0.104 0.000 0.985 394 E CA 1.163 57.522 56.400 -0.069 0.000 0.814 394 E CB -0.305 29.358 29.700 -0.062 0.000 0.752 394 E HN 0.036 nan 8.360 nan 0.000 0.466 395 V N 1.825 121.747 119.914 0.013 0.000 2.307 395 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 395 V C 2.564 178.657 176.094 -0.003 0.000 1.045 395 V CA 2.063 64.402 62.300 0.065 0.000 1.024 395 V CB -0.948 31.029 31.823 0.257 0.000 0.651 395 V HN 0.544 nan 8.190 nan 0.000 0.449 396 G N -0.473 108.395 108.800 0.112 0.000 2.476 396 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.218 396 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.218 396 G C 1.755 176.543 174.900 -0.186 0.000 1.164 396 G CA 0.887 46.036 45.100 0.081 0.000 0.768 396 G HN 0.405 nan 8.290 nan 0.000 0.560 397 R N -0.204 120.136 120.500 -0.267 0.000 2.073 397 R HA 0.004 4.344 4.340 -0.001 0.000 0.234 397 R C 2.837 178.923 176.300 -0.357 0.000 1.134 397 R CA 1.247 57.167 56.100 -0.301 0.000 0.952 397 R CB -0.281 29.861 30.300 -0.263 0.000 0.850 397 R HN 0.254 nan 8.270 nan 0.000 0.433 398 R N -0.032 120.170 120.500 -0.497 0.000 2.120 398 R HA -0.048 4.292 4.340 -0.001 0.000 0.234 398 R C 2.074 177.861 176.300 -0.856 0.000 1.123 398 R CA 1.286 56.850 56.100 -0.893 0.000 0.975 398 R CB -0.073 29.321 30.300 -1.511 0.000 0.866 398 R HN 0.225 nan 8.270 nan 0.000 0.446 399 M N -0.753 118.542 119.600 -0.509 0.000 2.619 399 M HA 0.083 4.563 4.480 -0.001 0.000 0.251 399 M C 0.832 177.040 176.300 -0.153 0.000 1.106 399 M CA 0.798 55.936 55.300 -0.270 0.000 1.086 399 M CB 0.609 33.147 32.600 -0.103 0.000 1.465 399 M HN 0.428 nan 8.290 nan 0.000 0.506 400 G N 1.715 110.399 108.800 -0.194 0.000 2.176 400 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.252 400 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.252 400 G C -0.012 174.837 174.900 -0.085 0.000 1.024 400 G CA -0.168 44.856 45.100 -0.127 0.000 0.755 400 G HN 0.408 nan 8.290 nan 0.000 0.507 401 L N -0.754 120.407 121.223 -0.103 0.000 2.456 401 L HA 0.414 4.753 4.340 -0.001 0.000 0.257 401 L C 0.961 177.718 176.870 -0.187 0.000 1.162 401 L CA -0.649 54.147 54.840 -0.074 0.000 0.808 401 L CB 0.498 42.574 42.059 0.028 0.000 1.136 401 L HN 0.151 nan 8.230 nan 0.000 0.466 402 E N 0.141 120.229 120.200 -0.185 0.000 2.148 402 E HA -0.014 4.335 4.350 -0.001 0.000 0.308 402 E C 0.744 176.925 176.600 -0.699 0.000 1.278 402 E CA -0.110 56.048 56.400 -0.403 0.000 1.368 402 E CB 0.255 29.713 29.700 -0.404 0.000 1.229 402 E HN 0.543 nan 8.360 nan 0.000 0.494 403 T N 0.852 114.894 114.554 -0.853 0.000 3.025 403 T HA -0.166 4.183 4.350 -0.001 0.000 0.270 403 T C 1.550 175.776 174.700 -0.790 0.000 1.126 403 T CA 1.261 62.393 62.100 -1.612 0.000 1.105 403 T CB -0.152 67.841 68.868 -1.457 0.000 0.884 403 T HN 0.557 nan 8.240 nan 0.000 0.522 404 H N -0.784 118.095 119.070 -0.319 0.000 2.548 404 H HA 0.287 4.843 4.556 -0.001 0.000 0.268 404 H C 0.877 176.214 175.328 0.015 0.000 0.975 404 H CA 0.181 56.161 56.048 -0.112 0.000 1.195 404 H CB 0.154 29.860 29.762 -0.094 0.000 1.397 404 H HN 0.280 nan 8.280 nan 0.000 0.572 405 K N 1.391 121.611 120.400 -0.300 0.000 2.483 405 K HA 0.237 4.557 4.320 -0.001 0.000 0.256 405 K C 0.515 177.216 176.600 0.169 0.000 0.961 405 K CA -0.471 55.797 56.287 -0.032 0.000 0.873 405 K CB 1.758 34.169 32.500 -0.147 0.000 1.107 405 K HN 0.058 nan 8.250 nan 0.000 0.432 406 L N 2.799 124.137 121.223 0.193 0.000 2.083 406 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 406 L C 2.207 179.122 176.870 0.075 0.000 1.083 406 L CA 1.649 56.581 54.840 0.153 0.000 0.752 406 L CB -0.343 41.766 42.059 0.083 0.000 0.899 406 L HN 0.823 nan 8.230 nan 0.000 0.433 407 A N -0.073 122.787 122.820 0.067 0.000 2.125 407 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 407 A C 2.410 180.022 177.584 0.048 0.000 1.156 407 A CA 1.571 53.634 52.037 0.044 0.000 0.671 407 A CB -0.536 18.489 19.000 0.042 0.000 0.794 407 A HN 0.554 nan 8.150 nan 0.000 0.459 408 S N -0.739 115.007 115.700 0.077 0.000 2.481 408 S HA 0.082 4.552 4.470 -0.001 0.000 0.231 408 S C 0.902 175.554 174.600 0.087 0.000 0.996 408 S CA 0.719 58.968 58.200 0.082 0.000 0.942 408 S CB -0.642 62.612 63.200 0.090 0.000 0.768 408 S HN 0.830 nan 8.310 nan 0.000 0.520 409 L N 0.361 121.613 121.223 0.048 0.000 4.089 409 L HA -0.175 4.165 4.340 -0.001 0.000 0.408 409 L C 1.663 178.527 176.870 -0.010 0.000 1.184 409 L CA 0.775 55.599 54.840 -0.028 0.000 0.947 409 L CB -2.493 39.563 42.059 -0.005 0.000 2.066 409 L HN 0.773 nan 8.230 nan 0.000 0.851 410 W N 0.501 121.788 121.300 -0.023 0.000 2.342 410 W HA -0.177 4.483 4.660 -0.000 0.000 0.297 410 W C 1.653 178.173 176.519 0.002 0.000 1.213 410 W CA 1.468 58.801 57.345 -0.020 0.000 1.251 410 W CB -0.726 28.702 29.460 -0.053 0.000 1.136 410 W HN 0.251 nan 8.180 nan 0.000 0.526 411 K N 0.921 120.723 120.400 -0.997 0.000 2.209 411 K HA -0.158 4.162 4.320 -0.001 0.000 0.204 411 K C 1.385 177.777 176.600 -0.346 0.000 1.048 411 K CA 2.227 57.937 56.287 -0.963 0.000 0.940 411 K CB -0.256 31.622 32.500 -1.037 0.000 0.729 411 K HN 0.176 nan 8.250 nan 0.000 0.451 412 D N 0.345 120.613 120.400 -0.219 0.000 2.183 412 D HA -0.087 4.552 4.640 -0.001 0.000 0.205 412 D C 1.866 178.164 176.300 -0.003 0.000 0.962 412 D CA 0.728 54.674 54.000 -0.090 0.000 0.849 412 D CB 0.125 40.885 40.800 -0.066 0.000 0.978 412 D HN 0.153 nan 8.370 nan 0.000 0.488 413 Q N 0.349 120.173 119.800 0.040 0.000 2.079 413 Q HA -0.031 4.309 4.340 -0.001 0.000 0.200 413 Q C 2.252 178.336 176.000 0.139 0.000 0.974 413 Q CA 1.207 57.073 55.803 0.105 0.000 0.840 413 Q CB -0.103 28.718 28.738 0.139 0.000 0.898 413 Q HN 0.280 nan 8.270 nan 0.000 0.430 414 A N 0.425 123.337 122.820 0.154 0.000 1.873 414 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 414 A C 2.221 179.899 177.584 0.157 0.000 1.186 414 A CA 1.264 53.419 52.037 0.197 0.000 0.616 414 A CB -0.868 18.296 19.000 0.272 0.000 0.823 414 A HN 0.269 nan 8.150 nan 0.000 0.442 415 V N -0.264 119.696 119.914 0.076 0.000 2.594 415 V HA -0.167 3.953 4.120 -0.001 0.000 0.253 415 V C 2.380 178.522 176.094 0.079 0.000 1.069 415 V CA 2.109 64.448 62.300 0.064 0.000 1.082 415 V CB -0.254 31.564 31.823 -0.008 0.000 0.680 415 V HN 0.322 nan 8.190 nan 0.000 0.469 416 V N 0.038 120.005 119.914 0.088 0.000 2.358 416 V HA -0.127 3.993 4.120 -0.001 0.000 0.246 416 V C 2.603 178.780 176.094 0.137 0.000 1.047 416 V CA 2.029 64.390 62.300 0.103 0.000 1.035 416 V CB -0.573 31.312 31.823 0.103 0.000 0.658 416 V HN 0.567 nan 8.190 nan 0.000 0.452 417 E N -0.128 120.179 120.200 0.178 0.000 2.150 417 E HA -0.095 4.254 4.350 -0.001 0.000 0.193 417 E C 2.124 178.834 176.600 0.182 0.000 0.985 417 E CA 1.013 57.549 56.400 0.226 0.000 0.814 417 E CB -0.209 29.631 29.700 0.233 0.000 0.752 417 E HN 0.565 nan 8.360 nan 0.000 0.466 418 I N 1.624 122.316 120.570 0.203 0.000 2.226 418 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 418 I C 2.035 178.242 176.117 0.150 0.000 1.100 418 I CA 0.883 62.336 61.300 0.255 0.000 1.374 418 I CB -0.249 37.956 38.000 0.342 0.000 1.057 418 I HN 0.067 nan 8.210 nan 0.000 0.413 419 N N 0.634 119.391 118.700 0.096 0.000 2.396 419 N HA -0.042 4.698 4.740 -0.001 0.000 0.180 419 N C 1.899 177.417 175.510 0.013 0.000 1.028 419 N CA 1.073 54.139 53.050 0.025 0.000 0.893 419 N CB 0.207 38.694 38.487 -0.001 0.000 0.967 419 N HN 0.398 nan 8.380 nan 0.000 0.440 420 I N 0.883 121.471 120.570 0.029 0.000 2.406 420 I HA -0.119 4.051 4.170 -0.001 0.000 0.249 420 I C 2.401 178.446 176.117 -0.120 0.000 1.122 420 I CA 0.261 61.540 61.300 -0.034 0.000 1.431 420 I CB -0.128 37.868 38.000 -0.007 0.000 1.087 420 I HN 0.017 nan 8.210 nan 0.000 0.424 421 A N 0.662 123.400 122.820 -0.136 0.000 1.877 421 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 421 A C 2.413 179.997 177.584 -0.001 0.000 1.186 421 A CA 1.624 53.519 52.037 -0.237 0.000 0.620 421 A CB -0.963 17.581 19.000 -0.760 0.000 0.822 421 A HN 0.193 nan 8.150 nan 0.000 0.443 422 V N 1.435 121.374 119.914 0.042 0.000 2.219 422 V HA -0.338 3.781 4.120 -0.001 0.000 0.248 422 V C 2.548 178.660 176.094 0.030 0.000 1.053 422 V CA 2.358 64.689 62.300 0.052 0.000 1.009 422 V CB -0.962 30.794 31.823 -0.112 0.000 0.636 422 V HN 0.730 nan 8.190 nan 0.000 0.445 423 I N -0.863 119.689 120.570 -0.031 0.000 2.454 423 I HA -0.241 3.928 4.170 -0.001 0.000 0.254 423 I C 2.455 178.617 176.117 0.075 0.000 1.156 423 I CA 2.390 63.682 61.300 -0.014 0.000 1.433 423 I CB -1.022 36.960 38.000 -0.031 0.000 1.082 423 I HN 0.431 nan 8.210 nan 0.000 0.432 424 H N 1.906 120.946 119.070 -0.049 0.000 2.299 424 H HA -0.076 4.480 4.556 -0.001 0.000 0.302 424 H C 2.290 177.619 175.328 0.002 0.000 1.078 424 H CA 2.222 58.229 56.048 -0.069 0.000 1.323 424 H CB -0.289 29.364 29.762 -0.181 0.000 1.381 424 H HN 0.224 nan 8.280 nan 0.000 0.498 425 S N -0.222 115.438 115.700 -0.067 0.000 2.359 425 S HA -0.133 4.337 4.470 -0.001 0.000 0.224 425 S C 1.964 176.563 174.600 -0.001 0.000 1.035 425 S CA 1.367 59.507 58.200 -0.101 0.000 1.018 425 S CB -0.518 62.733 63.200 0.085 0.000 0.876 425 S HN 0.328 nan 8.310 nan 0.000 0.448 426 F N 2.037 121.938 119.950 -0.082 0.000 2.134 426 F HA -0.091 4.436 4.527 -0.001 0.000 0.299 426 F C 2.694 178.449 175.800 -0.074 0.000 1.097 426 F CA 1.080 59.049 58.000 -0.052 0.000 1.264 426 F CB -0.618 38.368 39.000 -0.022 0.000 1.001 426 F HN 0.219 nan 8.300 nan 0.000 0.479 427 Q N 0.039 119.908 119.800 0.115 0.000 2.020 427 Q HA -0.273 4.066 4.340 -0.001 0.000 0.202 427 Q C 2.281 178.250 176.000 -0.052 0.000 0.982 427 Q CA 1.831 57.647 55.803 0.022 0.000 0.838 427 Q CB -0.420 28.327 28.738 0.014 0.000 0.899 427 Q HN 0.373 nan 8.270 nan 0.000 0.423 428 K N 0.399 120.712 120.400 -0.145 0.000 2.152 428 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 428 K C 1.460 177.984 176.600 -0.127 0.000 1.048 428 K CA 1.180 57.356 56.287 -0.184 0.000 0.933 428 K CB 0.250 32.524 32.500 -0.377 0.000 0.721 428 K HN 0.084 nan 8.250 nan 0.000 0.447 429 Q N 0.496 120.223 119.800 -0.122 0.000 2.280 429 Q HA 0.062 4.402 4.340 -0.001 0.000 0.201 429 Q C -0.612 175.333 176.000 -0.091 0.000 0.890 429 Q CA 0.211 55.945 55.803 -0.115 0.000 0.947 429 Q CB 0.188 28.829 28.738 -0.161 0.000 1.081 429 Q HN 0.417 nan 8.270 nan 0.000 0.502 430 N N -0.611 118.050 118.700 -0.064 0.000 2.740 430 N HA -0.148 4.592 4.740 -0.001 0.000 0.248 430 N C -1.193 174.294 175.510 -0.038 0.000 1.062 430 N CA 0.363 53.386 53.050 -0.045 0.000 0.704 430 N CB -1.253 37.206 38.487 -0.047 0.000 0.968 430 N HN -0.017 nan 8.380 nan 0.000 0.547 431 V N 0.023 119.929 119.914 -0.013 0.000 2.459 431 V HA 0.371 4.491 4.120 -0.001 0.000 0.295 431 V C 0.861 177.061 176.094 0.175 0.000 1.029 431 V CA -0.748 61.572 62.300 0.034 0.000 0.874 431 V CB 1.986 33.735 31.823 -0.122 0.000 0.985 431 V HN 0.179 nan 8.190 nan 0.000 0.438 432 T N 6.202 120.813 114.554 0.095 0.000 2.902 432 T HA 0.431 4.781 4.350 -0.001 0.000 0.301 432 T C -0.282 174.493 174.700 0.126 0.000 1.012 432 T CA 0.864 62.947 62.100 -0.028 0.000 1.151 432 T CB -0.067 68.629 68.868 -0.287 0.000 0.946 432 T HN 0.559 nan 8.240 nan 0.000 0.542 433 I N 2.967 123.539 120.570 0.003 0.000 2.842 433 I HA 0.494 4.664 4.170 -0.001 0.000 0.297 433 I C -1.474 174.657 176.117 0.023 0.000 1.380 433 I CA -0.938 60.376 61.300 0.023 0.000 1.018 433 I CB 2.032 39.895 38.000 -0.228 0.000 1.311 433 I HN 0.572 nan 8.210 nan 0.000 0.439 434 M N 6.719 126.406 119.600 0.146 0.000 2.393 434 M HA 0.363 4.843 4.480 -0.001 0.000 0.316 434 M C -1.121 175.233 176.300 0.090 0.000 1.087 434 M CA -0.702 54.687 55.300 0.149 0.000 0.937 434 M CB 1.502 34.293 32.600 0.318 0.000 1.668 434 M HN 0.585 nan 8.290 nan 0.000 0.438 435 D N 2.356 122.789 120.400 0.055 0.000 2.357 435 D HA -0.004 4.636 4.640 -0.001 0.000 0.242 435 D C 0.497 176.809 176.300 0.021 0.000 1.153 435 D CA -0.028 53.991 54.000 0.032 0.000 0.918 435 D CB 0.650 41.446 40.800 -0.007 0.000 1.181 435 D HN 0.921 nan 8.370 nan 0.000 0.435 436 H N -0.817 118.160 119.070 -0.155 0.000 2.457 436 H HA -0.094 4.461 4.556 -0.001 0.000 0.294 436 H C 1.427 176.652 175.328 -0.171 0.000 1.064 436 H CA 1.101 57.036 56.048 -0.189 0.000 1.330 436 H CB -0.249 29.357 29.762 -0.260 0.000 1.395 436 H HN 0.425 nan 8.280 nan 0.000 0.541 437 H N 0.886 119.783 119.070 -0.289 0.000 2.307 437 H HA 0.011 4.566 4.556 -0.001 0.000 0.303 437 H C 2.373 177.688 175.328 -0.022 0.000 1.073 437 H CA 1.386 57.342 56.048 -0.154 0.000 1.338 437 H CB -0.151 29.491 29.762 -0.200 0.000 1.389 437 H HN 0.404 nan 8.280 nan 0.000 0.503 438 S N 0.897 116.659 115.700 0.103 0.000 2.368 438 S HA -0.120 4.350 4.470 -0.001 0.000 0.225 438 S C 2.465 177.141 174.600 0.128 0.000 1.030 438 S CA 0.953 59.216 58.200 0.106 0.000 0.999 438 S CB -0.304 62.950 63.200 0.089 0.000 0.844 438 S HN 0.533 nan 8.310 nan 0.000 0.459 439 A N 1.648 124.541 122.820 0.122 0.000 1.902 439 A HA 0.122 4.441 4.320 -0.001 0.000 0.217 439 A C 2.374 180.063 177.584 0.176 0.000 1.181 439 A CA 1.693 53.821 52.037 0.151 0.000 0.623 439 A CB -1.109 17.967 19.000 0.126 0.000 0.818 439 A HN 0.518 nan 8.150 nan 0.000 0.443 440 A N -0.323 122.587 122.820 0.148 0.000 1.902 440 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 440 A C 1.927 179.651 177.584 0.233 0.000 1.181 440 A CA 1.643 53.790 52.037 0.183 0.000 0.623 440 A CB -0.517 18.566 19.000 0.139 0.000 0.818 440 A HN 0.635 nan 8.150 nan 0.000 0.443 441 E N 0.150 120.461 120.200 0.185 0.000 2.051 441 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 441 E C 2.425 179.131 176.600 0.176 0.000 0.991 441 E CA 1.588 58.089 56.400 0.169 0.000 0.799 441 E CB -0.196 29.581 29.700 0.128 0.000 0.748 441 E HN 0.805 nan 8.360 nan 0.000 0.449 442 S N 0.567 116.376 115.700 0.181 0.000 2.382 442 S HA -0.187 4.282 4.470 -0.001 0.000 0.228 442 S C 1.916 176.639 174.600 0.204 0.000 1.027 442 S CA 0.721 59.024 58.200 0.172 0.000 0.991 442 S CB -0.514 62.788 63.200 0.170 0.000 0.823 442 S HN 0.312 nan 8.310 nan 0.000 0.469 443 F N 2.175 122.213 119.950 0.148 0.000 2.171 443 F HA 0.012 4.539 4.527 -0.001 0.000 0.300 443 F C 2.264 178.205 175.800 0.236 0.000 1.090 443 F CA 1.355 59.475 58.000 0.200 0.000 1.293 443 F CB -0.288 38.800 39.000 0.147 0.000 1.013 443 F HN 0.109 nan 8.300 nan 0.000 0.486 444 M N 0.342 120.063 119.600 0.203 0.000 2.132 444 M HA -0.191 4.289 4.480 -0.001 0.000 0.263 444 M C 2.279 178.605 176.300 0.043 0.000 1.065 444 M CA 1.536 56.922 55.300 0.143 0.000 1.122 444 M CB -1.429 31.293 32.600 0.203 0.000 1.365 444 M HN 0.168 nan 8.290 nan 0.000 0.411 445 K N -0.280 120.158 120.400 0.063 0.000 2.032 445 K HA -0.244 4.076 4.320 -0.001 0.000 0.209 445 K C 2.209 178.794 176.600 -0.025 0.000 1.048 445 K CA 1.710 58.023 56.287 0.043 0.000 0.927 445 K CB -0.452 32.090 32.500 0.070 0.000 0.712 445 K HN 0.279 nan 8.250 nan 0.000 0.441 446 Y N 1.178 121.381 120.300 -0.161 0.000 2.181 446 Y HA -0.246 4.304 4.550 -0.001 0.000 0.288 446 Y C 2.285 177.976 175.900 -0.348 0.000 1.146 446 Y CA 2.174 60.131 58.100 -0.239 0.000 1.164 446 Y CB -0.364 37.919 38.460 -0.295 0.000 0.982 446 Y HN 0.104 nan 8.280 nan 0.000 0.515 447 M N 0.105 119.232 119.600 -0.787 0.000 2.149 447 M HA -0.281 4.198 4.480 -0.001 0.000 0.261 447 M C 2.427 178.390 176.300 -0.561 0.000 1.064 447 M CA 2.236 57.094 55.300 -0.736 0.000 1.102 447 M CB -0.260 32.121 32.600 -0.365 0.000 1.369 447 M HN 0.537 nan 8.290 nan 0.000 0.408 448 Q N 0.129 119.739 119.800 -0.316 0.000 2.083 448 Q HA -0.172 4.168 4.340 -0.001 0.000 0.198 448 Q C 1.465 177.330 176.000 -0.224 0.000 0.969 448 Q CA 2.032 57.717 55.803 -0.197 0.000 0.838 448 Q CB -0.112 28.697 28.738 0.118 0.000 0.900 448 Q HN 0.713 nan 8.270 nan 0.000 0.436 449 N N -0.026 118.536 118.700 -0.231 0.000 2.104 449 N HA -0.179 4.561 4.740 -0.001 0.000 0.190 449 N C 1.645 176.985 175.510 -0.283 0.000 1.024 449 N CA 1.053 53.993 53.050 -0.184 0.000 0.853 449 N CB -0.008 38.407 38.487 -0.119 0.000 1.008 449 N HN 0.204 nan 8.380 nan 0.000 0.424 450 E N 0.616 120.503 120.200 -0.521 0.000 2.085 450 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 450 E C 1.690 177.959 176.600 -0.552 0.000 0.994 450 E CA 1.234 57.266 56.400 -0.613 0.000 0.801 450 E CB -0.354 28.787 29.700 -0.932 0.000 0.743 450 E HN 0.540 nan 8.360 nan 0.000 0.453 451 Y N 0.662 120.662 120.300 -0.499 0.000 2.263 451 Y HA -0.076 4.474 4.550 -0.001 0.000 0.292 451 Y C 2.603 178.374 175.900 -0.214 0.000 1.130 451 Y CA 1.196 59.055 58.100 -0.403 0.000 1.179 451 Y CB -0.114 37.919 38.460 -0.712 0.000 0.998 451 Y HN -0.039 nan 8.280 nan 0.000 0.532 452 R N -0.448 120.006 120.500 -0.077 0.000 2.115 452 R HA -0.119 4.220 4.340 -0.001 0.000 0.230 452 R C 2.038 178.303 176.300 -0.058 0.000 1.111 452 R CA 1.557 57.639 56.100 -0.031 0.000 0.976 452 R CB -0.095 30.191 30.300 -0.022 0.000 0.870 452 R HN 0.228 nan 8.270 nan 0.000 0.445 453 S N 0.563 116.195 115.700 -0.113 0.000 2.336 453 S HA -0.078 4.392 4.470 -0.001 0.000 0.216 453 S C 1.536 176.069 174.600 -0.111 0.000 1.032 453 S CA 1.343 59.481 58.200 -0.104 0.000 0.973 453 S CB 0.020 63.145 63.200 -0.125 0.000 0.888 453 S HN 0.516 nan 8.310 nan 0.000 0.455 454 R N 0.298 120.694 120.500 -0.173 0.000 2.509 454 R HA 0.446 4.786 4.340 -0.001 0.000 0.297 454 R C 0.760 176.980 176.300 -0.134 0.000 0.951 454 R CA 0.396 56.408 56.100 -0.146 0.000 1.103 454 R CB -0.002 30.197 30.300 -0.167 0.000 1.283 454 R HN 0.305 nan 8.270 nan 0.000 0.534 455 G N 0.342 109.055 108.800 -0.146 0.000 2.272 455 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.280 455 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.280 455 G C 0.142 174.957 174.900 -0.142 0.000 1.067 455 G CA 0.096 45.176 45.100 -0.034 0.000 0.902 455 G HN 0.869 nan 8.290 nan 0.000 0.500 456 G N -2.495 105.901 108.800 -0.674 0.000 2.338 456 G HA2 0.607 4.567 3.960 -0.001 0.000 0.295 456 G HA3 0.607 4.567 3.960 -0.001 0.000 0.295 456 G C -0.752 173.568 174.900 -0.966 0.000 1.461 456 G CA 0.335 45.001 45.100 -0.725 0.000 0.817 456 G HN 2.008 nan 8.290 nan 0.000 0.556 457 C N 2.251 121.210 119.300 -0.568 0.000 3.149 457 C HA 0.519 4.979 4.460 -0.001 0.000 0.383 457 C C -2.717 172.152 174.990 -0.202 0.000 1.018 457 C CA -0.990 57.775 59.018 -0.423 0.000 1.293 457 C CB 0.599 28.011 27.740 -0.547 0.000 1.640 457 C HN 0.705 nan 8.230 nan 0.000 0.546 458 P HA 0.416 nan 4.420 nan 0.000 0.267 458 P C -0.474 176.731 177.300 -0.159 0.000 1.205 458 P CA 0.714 63.390 63.100 -0.705 0.000 0.765 458 P CB 1.230 32.328 31.700 -1.002 0.000 0.828 459 A N 2.694 125.511 122.820 -0.005 0.000 2.488 459 A HA 0.422 4.742 4.320 -0.001 0.000 0.298 459 A C -1.072 176.588 177.584 0.127 0.000 1.044 459 A CA -0.555 51.560 52.037 0.130 0.000 0.693 459 A CB 1.326 20.514 19.000 0.314 0.000 1.272 459 A HN 0.452 nan 8.150 nan 0.000 0.402 460 D N 1.928 122.386 120.400 0.097 0.000 2.443 460 D HA 0.150 4.790 4.640 -0.001 0.000 0.221 460 D C 0.778 177.206 176.300 0.213 0.000 1.097 460 D CA -0.475 53.619 54.000 0.157 0.000 0.865 460 D CB 0.445 41.301 40.800 0.093 0.000 1.034 460 D HN 0.612 nan 8.370 nan 0.000 0.511 461 W N 4.478 125.828 121.300 0.084 0.000 2.318 461 W HA -0.222 4.437 4.660 -0.001 0.000 0.313 461 W C 1.738 178.296 176.519 0.066 0.000 1.221 461 W CA 1.263 58.642 57.345 0.058 0.000 1.266 461 W CB -0.080 29.402 29.460 0.037 0.000 1.150 461 W HN 0.479 nan 8.180 nan 0.000 0.496 462 I N -1.070 119.798 120.570 0.496 0.000 2.335 462 I HA -0.298 3.872 4.170 -0.001 0.000 0.251 462 I C 1.784 177.987 176.117 0.144 0.000 1.129 462 I CA 1.378 62.907 61.300 0.381 0.000 1.402 462 I CB -0.600 37.644 38.000 0.407 0.000 1.069 462 I HN 0.113 nan 8.210 nan 0.000 0.424 463 W N 0.254 121.537 121.300 -0.029 0.000 2.588 463 W HA 0.113 4.773 4.660 -0.000 0.000 0.277 463 W C 2.242 178.656 176.519 -0.175 0.000 1.221 463 W CA 0.310 57.612 57.345 -0.072 0.000 1.355 463 W CB -0.364 29.078 29.460 -0.030 0.000 1.083 463 W HN -0.073 nan 8.180 nan 0.000 0.581 464 L N -0.057 121.131 121.223 -0.058 0.000 2.291 464 L HA -0.040 4.299 4.340 -0.001 0.000 0.214 464 L C 0.613 177.273 176.870 -0.351 0.000 1.120 464 L CA 0.322 54.993 54.840 -0.281 0.000 0.799 464 L CB -0.948 40.832 42.059 -0.464 0.000 0.925 464 L HN -0.378 nan 8.230 nan 0.000 0.446 465 V N 1.350 120.987 119.914 -0.461 0.000 2.455 465 V HA 0.147 4.267 4.120 -0.001 0.000 0.273 465 V C -1.812 174.122 176.094 -0.267 0.000 1.045 465 V CA -1.420 60.607 62.300 -0.455 0.000 0.976 465 V CB 0.480 31.812 31.823 -0.818 0.000 0.993 465 V HN 0.017 nan 8.190 nan 0.000 0.475 466 P HA 0.037 nan 4.420 nan 0.000 0.266 466 P C -1.694 175.487 177.300 -0.197 0.000 1.186 466 P CA -0.794 62.196 63.100 -0.184 0.000 0.767 466 P CB 0.081 31.698 31.700 -0.138 0.000 0.820 467 P HA -0.080 nan 4.420 nan 0.000 0.228 467 P C 0.174 177.372 177.300 -0.171 0.000 1.151 467 P CA 1.516 64.499 63.100 -0.196 0.000 0.770 467 P CB 0.020 31.593 31.700 -0.212 0.000 0.786 468 M N -4.932 114.538 119.600 -0.218 0.000 2.531 468 M HA 0.541 5.021 4.480 -0.001 0.000 0.286 468 M C -0.393 175.853 176.300 -0.089 0.000 1.232 468 M CA -0.656 54.549 55.300 -0.158 0.000 0.877 468 M CB 2.142 34.634 32.600 -0.180 0.000 1.726 468 M HN -0.367 nan 8.290 nan 0.000 0.463 469 S N 0.919 116.617 115.700 -0.002 0.000 3.641 469 S HA -0.166 4.304 4.470 -0.001 0.000 0.346 469 S C 1.089 175.714 174.600 0.043 0.000 1.074 469 S CA 0.792 59.031 58.200 0.065 0.000 1.026 469 S CB -1.892 61.433 63.200 0.209 0.000 0.908 469 S HN 1.235 nan 8.310 nan 0.000 0.479 470 G N 2.424 111.225 108.800 0.002 0.000 2.672 470 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.218 470 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.218 470 G C 1.527 176.336 174.900 -0.152 0.000 1.238 470 G CA 1.730 46.846 45.100 0.027 0.000 0.791 470 G HN 1.330 nan 8.290 nan 0.000 0.606 471 S N 0.157 115.454 115.700 -0.672 0.000 2.507 471 S HA 0.038 4.507 4.470 -0.001 0.000 0.235 471 S C 2.135 176.639 174.600 -0.159 0.000 0.988 471 S CA 0.785 58.360 58.200 -1.042 0.000 0.944 471 S CB -0.128 62.272 63.200 -1.333 0.000 0.762 471 S HN 0.186 nan 8.310 nan 0.000 0.526 472 I N 2.946 123.493 120.570 -0.039 0.000 2.830 472 I HA 0.014 4.184 4.170 -0.001 0.000 0.263 472 I C 1.428 177.648 176.117 0.171 0.000 1.230 472 I CA 0.794 62.146 61.300 0.086 0.000 1.480 472 I CB -2.040 36.029 38.000 0.114 0.000 1.095 472 I HN 0.545 nan 8.210 nan 0.000 0.455 473 T N -1.164 113.499 114.554 0.182 0.000 2.902 473 T HA 0.348 4.698 4.350 -0.001 0.000 0.283 473 T C -1.466 173.405 174.700 0.286 0.000 1.009 473 T CA -1.804 60.428 62.100 0.222 0.000 1.051 473 T CB 2.381 71.352 68.868 0.170 0.000 0.999 473 T HN -0.096 nan 8.240 nan 0.000 0.474 474 P HA -0.032 nan 4.420 nan 0.000 0.223 474 P C 1.660 179.173 177.300 0.355 0.000 1.151 474 P CA 0.336 63.650 63.100 0.356 0.000 0.787 474 P CB -0.073 31.779 31.700 0.253 0.000 0.788 475 V N -0.154 119.910 119.914 0.249 0.000 2.343 475 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 475 V C 2.385 178.552 176.094 0.122 0.000 1.051 475 V CA 1.742 64.136 62.300 0.156 0.000 1.036 475 V CB -1.492 30.319 31.823 -0.019 0.000 0.654 475 V HN -0.017 nan 8.190 nan 0.000 0.451 476 F N 1.311 121.219 119.950 -0.070 0.000 2.154 476 F HA -0.244 4.282 4.527 -0.000 0.000 0.301 476 F C 2.174 178.141 175.800 0.278 0.000 1.087 476 F CA 2.239 60.255 58.000 0.027 0.000 1.274 476 F CB -0.386 38.507 39.000 -0.177 0.000 1.009 476 F HN 0.348 nan 8.300 nan 0.000 0.485 477 H N -1.639 117.846 119.070 0.692 0.000 2.547 477 H HA 0.117 4.672 4.556 -0.001 0.000 0.266 477 H C 0.344 175.955 175.328 0.472 0.000 0.988 477 H CA 0.197 56.596 56.048 0.586 0.000 1.147 477 H CB -0.100 29.946 29.762 0.474 0.000 1.365 477 H HN 0.165 nan 8.280 nan 0.000 0.589 478 Q N 1.777 121.886 119.800 0.516 0.000 2.278 478 Q HA 0.159 4.498 4.340 -0.001 0.000 0.257 478 Q C -0.776 175.495 176.000 0.452 0.000 0.928 478 Q CA -0.417 55.632 55.803 0.411 0.000 0.932 478 Q CB 0.762 29.731 28.738 0.385 0.000 1.221 478 Q HN 0.334 nan 8.270 nan 0.000 0.434 479 E N 3.564 123.944 120.200 0.300 0.000 2.301 479 E HA 0.404 4.753 4.350 -0.001 0.000 0.275 479 E C -0.573 176.192 176.600 0.275 0.000 1.030 479 E CA -0.058 56.490 56.400 0.246 0.000 0.852 479 E CB 1.082 30.882 29.700 0.168 0.000 1.060 479 E HN 0.603 nan 8.360 nan 0.000 0.401 480 M N 2.068 121.836 119.600 0.280 0.000 2.667 480 M HA 0.467 4.946 4.480 -0.001 0.000 0.286 480 M C -1.117 175.327 176.300 0.240 0.000 1.270 480 M CA -0.764 54.719 55.300 0.306 0.000 0.826 480 M CB 1.822 34.643 32.600 0.370 0.000 1.743 480 M HN 0.205 nan 8.290 nan 0.000 0.460 481 L N 1.630 123.024 121.223 0.284 0.000 2.356 481 L HA 0.519 4.859 4.340 -0.001 0.000 0.277 481 L C -0.946 176.120 176.870 0.327 0.000 0.996 481 L CA -0.750 54.263 54.840 0.287 0.000 0.822 481 L CB 1.773 44.026 42.059 0.324 0.000 1.256 481 L HN 0.651 nan 8.230 nan 0.000 0.413 482 N N 3.252 122.107 118.700 0.259 0.000 2.430 482 N HA 0.594 5.334 4.740 -0.001 0.000 0.292 482 N C -1.440 174.223 175.510 0.254 0.000 1.051 482 N CA -0.108 53.029 53.050 0.144 0.000 0.917 482 N CB 1.039 39.593 38.487 0.110 0.000 1.164 482 N HN 0.401 nan 8.380 nan 0.000 0.484 483 Y N -0.716 119.596 120.300 0.020 0.000 2.677 483 Y HA 0.530 5.080 4.550 -0.000 0.000 0.334 483 Y C -1.567 174.275 175.900 -0.097 0.000 1.196 483 Y CA -1.304 56.781 58.100 -0.026 0.000 1.059 483 Y CB 0.492 38.956 38.460 0.007 0.000 1.315 483 Y HN 0.042 nan 8.280 nan 0.000 0.455 484 V N 3.902 123.780 119.914 -0.059 0.000 2.328 484 V HA 0.435 4.554 4.120 -0.001 0.000 0.278 484 V C 0.080 176.055 176.094 -0.198 0.000 1.021 484 V CA -0.416 61.635 62.300 -0.415 0.000 0.838 484 V CB 0.573 31.992 31.823 -0.673 0.000 0.999 484 V HN 0.743 nan 8.190 nan 0.000 0.447 485 L N 2.740 123.892 121.223 -0.118 0.000 2.687 485 L HA 0.704 5.044 4.340 -0.001 0.000 0.252 485 L C 0.333 177.227 176.870 0.039 0.000 1.115 485 L CA -0.485 54.365 54.840 0.017 0.000 0.893 485 L CB 1.561 43.654 42.059 0.057 0.000 1.670 485 L HN 0.588 nan 8.230 nan 0.000 0.531 486 S N -0.503 115.246 115.700 0.082 0.000 2.619 486 S HA 0.545 5.015 4.470 -0.001 0.000 0.280 486 S C -2.638 172.029 174.600 0.112 0.000 1.150 486 S CA -1.157 57.115 58.200 0.120 0.000 0.978 486 S CB 1.835 65.124 63.200 0.148 0.000 1.041 486 S HN 0.135 nan 8.310 nan 0.000 0.485 487 P HA 0.505 nan 4.420 nan 0.000 0.274 487 P C -1.339 175.933 177.300 -0.047 0.000 1.256 487 P CA -0.263 62.819 63.100 -0.029 0.000 0.795 487 P CB 0.337 31.929 31.700 -0.180 0.000 1.038 488 F N 0.120 119.892 119.950 -0.296 0.000 2.665 488 F HA 0.421 4.948 4.527 -0.000 0.000 0.308 488 F C -1.665 173.859 175.800 -0.458 0.000 1.112 488 F CA -0.770 56.980 58.000 -0.417 0.000 0.972 488 F CB 1.123 39.848 39.000 -0.459 0.000 1.295 488 F HN 0.171 nan 8.300 nan 0.000 0.440 489 Y N 4.965 124.682 120.300 -0.972 0.000 2.367 489 Y HA 0.443 4.992 4.550 -0.000 0.000 0.342 489 Y C -0.716 174.796 175.900 -0.648 0.000 0.979 489 Y CA -0.370 57.390 58.100 -0.567 0.000 1.161 489 Y CB 0.415 38.556 38.460 -0.532 0.000 1.155 489 Y HN 0.445 nan 8.280 nan 0.000 0.503 490 Y N 0.858 121.170 120.300 0.020 0.000 2.565 490 Y HA 0.418 4.968 4.550 -0.001 0.000 0.325 490 Y C -0.334 175.547 175.900 -0.032 0.000 1.221 490 Y CA -1.011 57.126 58.100 0.061 0.000 1.316 490 Y CB 0.780 39.347 38.460 0.179 0.000 1.404 490 Y HN 0.391 nan 8.280 nan 0.000 0.527 491 Y N 0.131 120.612 120.300 0.302 0.000 2.480 491 Y HA 0.458 5.007 4.550 -0.001 0.000 0.323 491 Y C -0.207 175.759 175.900 0.110 0.000 1.267 491 Y CA -1.138 57.049 58.100 0.144 0.000 1.336 491 Y CB 0.908 39.426 38.460 0.096 0.000 1.361 491 Y HN 0.368 nan 8.280 nan 0.000 0.518 492 Q N -0.358 119.575 119.800 0.222 0.000 2.456 492 Q HA 0.505 4.845 4.340 -0.001 0.000 0.284 492 Q C -1.598 174.374 176.000 -0.048 0.000 1.061 492 Q CA -1.230 54.609 55.803 0.060 0.000 0.799 492 Q CB 2.789 31.535 28.738 0.014 0.000 1.445 492 Q HN 0.309 nan 8.270 nan 0.000 0.411 493 V N 1.786 121.631 119.914 -0.115 0.000 2.572 493 V HA 0.009 4.129 4.120 -0.001 0.000 0.291 493 V C -0.076 175.793 176.094 -0.375 0.000 1.039 493 V CA -0.099 62.078 62.300 -0.204 0.000 1.055 493 V CB 0.549 32.265 31.823 -0.179 0.000 0.969 493 V HN 0.663 nan 8.190 nan 0.000 0.482 494 E N 3.337 123.203 120.200 -0.557 0.000 2.558 494 E HA 0.129 4.479 4.350 -0.001 0.000 0.255 494 E C 1.306 177.184 176.600 -1.203 0.000 0.968 494 E CA 0.598 56.363 56.400 -1.058 0.000 0.939 494 E CB 0.389 29.116 29.700 -1.622 0.000 0.921 494 E HN 0.769 nan 8.360 nan 0.000 0.477 495 A N 4.289 126.420 122.820 -1.148 0.000 1.929 495 A HA -0.263 4.057 4.320 -0.001 0.000 0.221 495 A C 1.763 178.733 177.584 -1.022 0.000 1.211 495 A CA 2.340 53.699 52.037 -1.130 0.000 0.657 495 A CB -1.145 16.778 19.000 -1.796 0.000 0.827 495 A HN 0.971 nan 8.150 nan 0.000 0.462 496 W N -0.401 120.356 121.300 -0.904 0.000 2.374 496 W HA -0.018 4.642 4.660 -0.000 0.000 0.288 496 W C 1.574 178.069 176.519 -0.040 0.000 1.218 496 W CA 1.080 58.223 57.345 -0.338 0.000 1.245 496 W CB -0.382 29.079 29.460 0.002 0.000 1.126 496 W HN 0.164 nan 8.180 nan 0.000 0.545 497 K N 0.390 120.606 120.400 -0.306 0.000 2.362 497 K HA -0.047 4.273 4.320 -0.001 0.000 0.200 497 K C 1.728 178.291 176.600 -0.062 0.000 1.046 497 K CA 1.795 58.013 56.287 -0.114 0.000 0.952 497 K CB -0.284 32.073 32.500 -0.238 0.000 0.753 497 K HN 0.416 nan 8.250 nan 0.000 0.466 498 T N -3.982 110.507 114.554 -0.109 0.000 2.975 498 T HA 0.033 4.383 4.350 -0.001 0.000 0.261 498 T C 0.192 174.894 174.700 0.004 0.000 0.984 498 T CA -0.449 61.616 62.100 -0.058 0.000 0.911 498 T CB -0.173 68.629 68.868 -0.111 0.000 1.127 498 T HN 0.087 nan 8.240 nan 0.000 0.514 499 H N 2.048 121.086 119.070 -0.052 0.000 2.899 499 H HA 0.455 5.011 4.556 -0.001 0.000 0.303 499 H C -0.508 174.838 175.328 0.030 0.000 1.042 499 H CA -0.265 55.760 56.048 -0.038 0.000 1.479 499 H CB 0.453 30.203 29.762 -0.021 0.000 1.493 499 H HN 0.046 nan 8.280 nan 0.000 0.534 500 V N 7.270 126.840 119.914 -0.573 0.000 2.339 500 V HA 0.007 4.127 4.120 -0.001 0.000 0.261 500 V C -0.291 175.439 176.094 -0.606 0.000 1.058 500 V CA -0.647 61.447 62.300 -0.344 0.000 0.897 500 V CB -0.650 31.054 31.823 -0.198 0.000 1.052 500 V HN 0.742 nan 8.190 nan 0.000 0.480 501 W N 4.809 125.923 121.300 -0.310 0.000 2.308 501 W HA 0.287 4.947 4.660 -0.001 0.000 0.324 501 W C 0.863 177.347 176.519 -0.057 0.000 1.387 501 W CA -0.308 56.979 57.345 -0.097 0.000 1.250 501 W CB 0.417 29.931 29.460 0.090 0.000 1.257 501 W HN 0.575 nan 8.180 nan 0.000 0.554 502 Q N 2.421 122.299 119.800 0.130 0.000 2.349 502 Q HA 0.590 4.930 4.340 -0.001 0.000 0.254 502 Q C -0.359 175.721 176.000 0.134 0.000 0.980 502 Q CA 0.254 56.111 55.803 0.091 0.000 0.924 502 Q CB 1.079 29.840 28.738 0.039 0.000 1.209 502 Q HN 0.675 nan 8.270 nan 0.000 0.445 503 D N 0.000 120.468 120.400 0.113 0.000 6.856 503 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 503 D CA 0.000 nan 54.000 nan 0.000 0.868 503 D CB 0.000 nan 40.800 nan 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683