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 1kmo_1_A DATA FIRST_RESID 81 DATA SEQUENCE ALTVVGDWLG DARENDVFEH AGARDVIRRE DFAKTGATTM REVLNRIPGV DATA SEQUENCE SAPENNGTGS HDLAMNFGIR GLNPRLASRS TVLMDGIPVP FAPYGQPQLS DATA SEQUENCE LAPVSLGNMD AIDVVRGGGA VRYGPQSVGG VVNFVTRAIP QDFGIEAGVE DATA SEQUENCE GQLSPTSSQN NPKETHNLMV GGTADNGFGT ALLYSGTRGS DWREHSATRI DATA SEQUENCE DDLMLKSKYA PDEVHTFNSL LQYYDGEADM PGGLSRADYD ADRWQSTRPY DATA SEQUENCE DRFWGRRKLA SLGYQFQPDS QHKFNIQGFY TQTLRSGYLE QGKRITLSPR DATA SEQUENCE NYWVRGIEPR YSQIFMIGPS AHEVGVGYRY LNESTHEMRY YTATSSGQLP DATA SEQUENCE SGSSPYDRDT RSGTEAHAWY LDDKIDIGNW TITPGMRFEH IESYQNNAIT DATA SEQUENCE GTHEEVSYNA PLPALNVLYH LTDSWNLYAN TEGSFGTVQY SQIGKAVQSG DATA SEQUENCE NVEPEKARTW ELGTRYDDGA LTAEMGLFLI NFNNQYDSNQ TNDTVTARGK DATA SEQUENCE TRHTGLETQA RYDLGTLTPT LDNVSIYASY AYVNAEIREK GDTYGNLVPF DATA SEQUENCE SPKHKGTLGV DYKPGNWTFN LNSDFQSSQF ADNANTVKES ADGSTGRIPG DATA SEQUENCE FMLWGARVAY DFGPQMADLN LAFGVKNIFD QDYFIRSYDD NNKGIYAGQP DATA SEQUENCE RTLYMQGSLK F 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 81 A HA 0.000 nan 4.320 nan 0.000 0.244 81 A C 0.000 177.582 177.584 -0.003 0.000 1.274 81 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 81 A CB 0.000 19.001 19.000 0.002 0.000 0.831 82 L N 0.683 121.901 121.223 -0.008 0.000 3.893 82 L HA -0.200 4.102 4.340 -0.062 0.000 0.547 82 L C -0.134 176.723 176.870 -0.023 0.000 1.000 82 L CA 1.240 56.069 54.840 -0.017 0.000 0.988 82 L CB -0.625 41.427 42.059 -0.011 0.000 0.738 82 L HN 0.653 nan 8.230 nan 0.000 0.831 83 T N 2.606 117.143 114.554 -0.029 0.000 2.840 83 T HA 0.350 4.663 4.350 -0.062 0.000 0.287 83 T C -0.054 174.621 174.700 -0.040 0.000 0.991 83 T CA -0.479 61.603 62.100 -0.030 0.000 0.964 83 T CB 2.375 71.231 68.868 -0.019 0.000 0.954 83 T HN 0.325 nan 8.240 nan 0.000 0.438 84 V N 5.186 125.065 119.914 -0.058 0.000 2.655 84 V HA 0.114 4.197 4.120 -0.062 0.000 0.300 84 V C 1.044 177.118 176.094 -0.034 0.000 1.044 84 V CA 0.584 62.844 62.300 -0.066 0.000 1.095 84 V CB 0.784 32.545 31.823 -0.104 0.000 0.952 84 V HN 0.829 nan 8.190 nan 0.000 0.485 85 V N 6.558 126.467 119.914 -0.009 0.000 2.331 85 V HA 0.263 4.346 4.120 -0.062 0.000 0.242 85 V C 1.859 177.965 176.094 0.020 0.000 1.034 85 V CA 1.893 64.209 62.300 0.027 0.000 1.027 85 V CB -0.954 30.916 31.823 0.078 0.000 0.667 85 V HN 1.458 nan 8.190 nan 0.000 0.457 86 G N 0.528 109.339 108.800 0.017 0.000 2.779 86 G HA2 -0.333 3.589 3.960 -0.062 0.000 0.284 86 G HA3 -0.333 3.589 3.960 -0.062 0.000 0.284 86 G C 0.034 174.927 174.900 -0.012 0.000 1.326 86 G CA 0.351 45.446 45.100 -0.008 0.000 0.983 86 G HN 0.578 nan 8.290 nan 0.000 0.555 87 D N 1.919 122.288 120.400 -0.050 0.000 2.393 87 D HA 0.341 4.944 4.640 -0.062 0.000 0.232 87 D C 1.602 177.870 176.300 -0.053 0.000 1.192 87 D CA -0.114 53.802 54.000 -0.141 0.000 0.882 87 D CB -0.552 40.176 40.800 -0.121 0.000 1.038 87 D HN 0.580 nan 8.370 nan 0.000 0.499 88 W N 3.788 125.119 121.300 0.051 0.000 3.180 88 W HA 0.045 4.668 4.660 -0.062 0.000 0.254 88 W C 0.353 176.895 176.519 0.038 0.000 1.318 88 W CA -0.511 56.863 57.345 0.048 0.000 1.608 88 W CB -0.323 29.177 29.460 0.066 0.000 1.124 88 W HN 0.301 nan 8.180 nan 0.000 0.694 89 L N 2.104 123.311 121.223 -0.027 0.000 2.208 89 L HA 0.351 4.654 4.340 -0.062 0.000 0.196 89 L C 2.181 179.031 176.870 -0.033 0.000 1.130 89 L CA 2.719 57.541 54.840 -0.030 0.000 0.791 89 L CB -1.233 40.607 42.059 -0.365 0.000 0.969 89 L HN 0.196 nan 8.230 nan 0.000 0.468 90 G N -0.143 108.603 108.800 -0.089 0.000 2.685 90 G HA2 -0.427 3.495 3.960 -0.062 0.000 0.357 90 G HA3 -0.427 3.495 3.960 -0.062 0.000 0.357 90 G C 0.603 175.475 174.900 -0.046 0.000 1.272 90 G CA 0.842 45.908 45.100 -0.058 0.000 0.972 90 G HN 0.527 nan 8.290 nan 0.000 0.550 91 D N 2.371 122.757 120.400 -0.023 0.000 2.370 91 D HA 0.420 5.022 4.640 -0.062 0.000 0.230 91 D C 1.417 177.706 176.300 -0.017 0.000 1.143 91 D CA 1.199 55.186 54.000 -0.021 0.000 0.834 91 D CB -0.366 40.424 40.800 -0.016 0.000 0.944 91 D HN 1.398 nan 8.370 nan 0.000 0.504 92 A N 1.423 124.237 122.820 -0.010 0.000 2.519 92 A HA -0.296 3.987 4.320 -0.062 0.000 0.297 92 A C 0.425 178.012 177.584 0.005 0.000 1.472 92 A CA 0.389 52.423 52.037 -0.005 0.000 0.739 92 A CB -1.915 17.063 19.000 -0.036 0.000 1.096 92 A HN 0.353 nan 8.150 nan 0.000 0.414 93 R N -0.236 120.279 120.500 0.026 0.000 2.570 93 R HA 0.159 4.462 4.340 -0.062 0.000 0.277 93 R C 1.317 177.637 176.300 0.033 0.000 1.039 93 R CA 0.383 56.498 56.100 0.025 0.000 1.065 93 R CB 0.341 30.663 30.300 0.038 0.000 0.964 93 R HN 0.733 nan 8.270 nan 0.000 0.428 94 E N 2.046 122.258 120.200 0.019 0.000 2.070 94 E HA -0.295 4.018 4.350 -0.062 0.000 0.197 94 E C 1.119 177.765 176.600 0.077 0.000 1.004 94 E CA 1.681 58.099 56.400 0.029 0.000 0.805 94 E CB 0.053 29.751 29.700 -0.003 0.000 0.744 94 E HN 0.568 nan 8.360 nan 0.000 0.451 95 N N 0.310 119.055 118.700 0.075 0.000 2.166 95 N HA -0.147 4.556 4.740 -0.062 0.000 0.186 95 N C 1.317 176.910 175.510 0.138 0.000 1.019 95 N CA 0.948 54.071 53.050 0.123 0.000 0.856 95 N CB -0.027 38.512 38.487 0.086 0.000 0.993 95 N HN 0.145 nan 8.380 nan 0.000 0.426 96 D N 0.787 121.252 120.400 0.109 0.000 2.144 96 D HA -0.078 4.525 4.640 -0.062 0.000 0.200 96 D C 2.117 178.469 176.300 0.087 0.000 0.978 96 D CA 0.630 54.700 54.000 0.116 0.000 0.833 96 D CB -0.219 40.685 40.800 0.172 0.000 0.961 96 D HN 0.063 nan 8.370 nan 0.000 0.470 97 V N 0.901 120.859 119.914 0.075 0.000 2.307 97 V HA -0.207 3.876 4.120 -0.062 0.000 0.245 97 V C 2.167 178.301 176.094 0.066 0.000 1.045 97 V CA 1.069 63.384 62.300 0.025 0.000 1.024 97 V CB -0.547 31.281 31.823 0.009 0.000 0.651 97 V HN 0.053 nan 8.190 nan 0.000 0.449 98 F N 1.297 121.243 119.950 -0.006 0.000 2.171 98 F HA -0.127 4.362 4.527 -0.062 0.000 0.300 98 F C 2.275 178.075 175.800 -0.001 0.000 1.090 98 F CA 1.584 59.586 58.000 0.004 0.000 1.293 98 F CB -0.072 38.930 39.000 0.003 0.000 1.013 98 F HN 0.154 nan 8.300 nan 0.000 0.486 99 E N -0.772 119.378 120.200 -0.083 0.000 2.489 99 E HA -0.089 4.224 4.350 -0.062 0.000 0.193 99 E C -0.165 176.302 176.600 -0.222 0.000 1.057 99 E CA 0.109 56.404 56.400 -0.175 0.000 0.866 99 E CB -0.860 28.836 29.700 -0.006 0.000 0.916 99 E HN 0.443 nan 8.360 nan 0.000 0.500 100 H N 0.656 119.539 119.070 -0.311 0.000 2.899 100 H HA 0.197 4.716 4.556 -0.062 0.000 0.303 100 H C 0.073 175.113 175.328 -0.480 0.000 1.042 100 H CA 0.002 55.793 56.048 -0.428 0.000 1.479 100 H CB 0.697 30.199 29.762 -0.433 0.000 1.493 100 H HN -0.046 nan 8.280 nan 0.000 0.534 101 A N 4.771 127.122 122.820 -0.781 0.000 3.077 101 A HA 0.505 4.788 4.320 -0.062 0.000 0.255 101 A C 0.560 177.739 177.584 -0.676 0.000 1.728 101 A CA 0.571 52.288 52.037 -0.533 0.000 1.383 101 A CB -0.895 17.915 19.000 -0.317 0.000 1.097 101 A HN 0.908 nan 8.150 nan 0.000 0.634 102 G N -1.100 107.068 108.800 -1.053 0.000 2.338 102 G HA2 0.584 4.506 3.960 -0.062 0.000 0.295 102 G HA3 0.584 4.506 3.960 -0.062 0.000 0.295 102 G C -0.521 173.917 174.900 -0.770 0.000 1.461 102 G CA -0.169 44.408 45.100 -0.872 0.000 0.817 102 G HN 1.199 nan 8.290 nan 0.000 0.556 103 A N 0.134 122.739 122.820 -0.359 0.000 2.522 103 A HA 0.681 4.963 4.320 -0.062 0.000 0.256 103 A C 0.624 178.076 177.584 -0.220 0.000 1.086 103 A CA 0.717 52.662 52.037 -0.153 0.000 0.763 103 A CB 0.087 19.088 19.000 0.001 0.000 1.024 103 A HN 1.102 nan 8.150 nan 0.000 0.502 104 R N 2.482 122.842 120.500 -0.232 0.000 2.522 104 R HA 0.398 4.701 4.340 -0.062 0.000 0.273 104 R C -2.201 173.982 176.300 -0.195 0.000 1.133 104 R CA -0.477 55.432 56.100 -0.318 0.000 0.969 104 R CB 1.469 31.382 30.300 -0.644 0.000 1.235 104 R HN 0.753 nan 8.270 nan 0.000 0.433 105 D N 3.119 123.414 120.400 -0.176 0.000 2.738 105 D HA 0.402 5.004 4.640 -0.062 0.000 0.237 105 D C -0.999 175.226 176.300 -0.124 0.000 1.123 105 D CA -0.415 53.515 54.000 -0.116 0.000 0.856 105 D CB 2.858 43.603 40.800 -0.091 0.000 1.552 105 D HN 0.159 nan 8.370 nan 0.000 0.480 106 V N 2.230 122.094 119.914 -0.084 0.000 2.680 106 V HA 0.523 4.606 4.120 -0.062 0.000 0.309 106 V C -0.098 175.976 176.094 -0.034 0.000 1.052 106 V CA -0.706 61.552 62.300 -0.070 0.000 0.908 106 V CB 2.398 34.187 31.823 -0.057 0.000 1.001 106 V HN 0.430 nan 8.190 nan 0.000 0.431 107 I N 4.115 124.690 120.570 0.009 0.000 2.447 107 I HA 0.516 4.649 4.170 -0.062 0.000 0.287 107 I C -0.030 176.173 176.117 0.142 0.000 1.023 107 I CA -0.592 60.749 61.300 0.067 0.000 1.083 107 I CB 1.944 40.004 38.000 0.100 0.000 1.245 107 I HN 0.548 nan 8.210 nan 0.000 0.434 108 R N 3.884 124.375 120.500 -0.015 0.000 2.532 108 R HA 0.378 4.680 4.340 -0.062 0.000 0.272 108 R C 1.215 177.090 176.300 -0.708 0.000 1.032 108 R CA -0.706 55.270 56.100 -0.205 0.000 1.089 108 R CB 1.291 31.487 30.300 -0.174 0.000 1.098 108 R HN 0.536 nan 8.270 nan 0.000 0.526 109 R N 1.378 121.231 120.500 -1.079 0.000 2.133 109 R HA -0.277 4.026 4.340 -0.062 0.000 0.247 109 R C 1.635 177.389 176.300 -0.911 0.000 1.151 109 R CA 2.239 57.338 56.100 -1.668 0.000 0.971 109 R CB -0.085 29.758 30.300 -0.762 0.000 0.866 109 R HN 0.612 nan 8.270 nan 0.000 0.447 110 E N 0.822 120.728 120.200 -0.489 0.000 2.130 110 E HA -0.194 4.119 4.350 -0.062 0.000 0.196 110 E C 0.637 177.121 176.600 -0.194 0.000 0.998 110 E CA 2.005 58.245 56.400 -0.267 0.000 0.806 110 E CB -0.123 29.464 29.700 -0.188 0.000 0.738 110 E HN 0.429 nan 8.360 nan 0.000 0.459 111 D N -0.846 119.438 120.400 -0.193 0.000 2.340 111 D HA 0.001 4.604 4.640 -0.062 0.000 0.217 111 D C 0.881 177.252 176.300 0.117 0.000 1.081 111 D CA -0.059 53.913 54.000 -0.046 0.000 0.842 111 D CB -0.036 40.733 40.800 -0.052 0.000 0.934 111 D HN 0.185 nan 8.370 nan 0.000 0.511 112 F N 2.073 121.990 119.950 -0.056 0.000 2.102 112 F HA -0.036 4.454 4.527 -0.061 0.000 0.298 112 F C 2.565 178.334 175.800 -0.051 0.000 1.105 112 F CA 0.211 58.176 58.000 -0.057 0.000 1.239 112 F CB -1.219 37.747 39.000 -0.057 0.000 0.991 112 F HN -0.025 nan 8.300 nan 0.000 0.474 113 A N 0.650 123.574 122.820 0.173 0.000 2.067 113 A HA -0.179 4.103 4.320 -0.062 0.000 0.219 113 A C 2.247 179.888 177.584 0.096 0.000 1.158 113 A CA 1.382 53.479 52.037 0.100 0.000 0.661 113 A CB -0.868 18.181 19.000 0.082 0.000 0.801 113 A HN 0.493 nan 8.150 nan 0.000 0.452 114 K N 0.094 120.548 120.400 0.090 0.000 2.211 114 K HA -0.156 4.126 4.320 -0.062 0.000 0.204 114 K C 1.121 177.805 176.600 0.140 0.000 1.047 114 K CA 1.909 58.262 56.287 0.110 0.000 0.935 114 K CB -0.626 31.925 32.500 0.085 0.000 0.728 114 K HN 0.456 nan 8.250 nan 0.000 0.452 115 T N -3.924 110.684 114.554 0.090 0.000 3.129 115 T HA 0.347 4.660 4.350 -0.062 0.000 0.267 115 T C 1.030 175.689 174.700 -0.069 0.000 1.018 115 T CA 0.018 62.164 62.100 0.076 0.000 0.903 115 T CB 0.606 69.503 68.868 0.049 0.000 1.067 115 T HN 0.427 nan 8.240 nan 0.000 0.549 116 G N 1.352 110.051 108.800 -0.167 0.000 2.147 116 G HA2 -0.045 3.877 3.960 -0.062 0.000 0.244 116 G HA3 -0.045 3.877 3.960 -0.062 0.000 0.244 116 G C 0.316 174.954 174.900 -0.437 0.000 1.005 116 G CA -0.186 44.498 45.100 -0.693 0.000 0.713 116 G HN 1.258 nan 8.290 nan 0.000 0.515 117 A N 0.027 122.722 122.820 -0.209 0.000 2.488 117 A HA 0.685 4.968 4.320 -0.062 0.000 0.249 117 A C 1.414 178.898 177.584 -0.166 0.000 1.083 117 A CA 1.535 53.466 52.037 -0.176 0.000 0.768 117 A CB 0.352 19.258 19.000 -0.157 0.000 1.017 117 A HN 1.670 nan 8.150 nan 0.000 0.496 118 T N -1.558 112.895 114.554 -0.168 0.000 3.041 118 T HA 0.282 4.595 4.350 -0.062 0.000 0.276 118 T C 0.494 175.093 174.700 -0.170 0.000 0.948 118 T CA 0.683 62.694 62.100 -0.148 0.000 0.885 118 T CB -0.472 68.322 68.868 -0.122 0.000 1.175 118 T HN 1.090 nan 8.240 nan 0.000 0.529 119 T N -0.876 113.570 114.554 -0.179 0.000 2.924 119 T HA 0.647 4.960 4.350 -0.062 0.000 0.291 119 T C 0.964 175.523 174.700 -0.234 0.000 1.045 119 T CA -0.848 61.143 62.100 -0.182 0.000 1.015 119 T CB 1.831 70.627 68.868 -0.121 0.000 1.103 119 T HN -0.147 nan 8.240 nan 0.000 0.496 120 M N 1.074 120.527 119.600 -0.245 0.000 2.108 120 M HA -0.008 4.434 4.480 -0.062 0.000 0.261 120 M C 2.442 178.637 176.300 -0.175 0.000 1.066 120 M CA 1.699 56.847 55.300 -0.254 0.000 1.107 120 M CB -0.908 31.515 32.600 -0.295 0.000 1.356 120 M HN 0.858 nan 8.290 nan 0.000 0.406 121 R N -0.707 119.720 120.500 -0.120 0.000 2.120 121 R HA -0.121 4.182 4.340 -0.062 0.000 0.234 121 R C 1.757 178.003 176.300 -0.091 0.000 1.123 121 R CA 1.818 57.871 56.100 -0.078 0.000 0.975 121 R CB -0.963 29.318 30.300 -0.031 0.000 0.866 121 R HN 0.427 nan 8.270 nan 0.000 0.446 122 E N 0.731 120.865 120.200 -0.109 0.000 2.204 122 E HA -0.098 4.214 4.350 -0.062 0.000 0.194 122 E C 1.862 178.384 176.600 -0.130 0.000 0.989 122 E CA 1.258 57.596 56.400 -0.102 0.000 0.824 122 E CB 0.178 29.812 29.700 -0.109 0.000 0.756 122 E HN 0.207 nan 8.360 nan 0.000 0.477 123 V N 0.859 120.657 119.914 -0.194 0.000 2.500 123 V HA -0.140 3.943 4.120 -0.062 0.000 0.243 123 V C 2.147 178.145 176.094 -0.161 0.000 1.039 123 V CA 0.868 63.048 62.300 -0.200 0.000 1.053 123 V CB -0.218 31.381 31.823 -0.373 0.000 0.695 123 V HN 0.243 nan 8.190 nan 0.000 0.463 124 L N 0.477 121.592 121.223 -0.180 0.000 2.127 124 L HA -0.197 4.106 4.340 -0.062 0.000 0.211 124 L C 2.331 179.102 176.870 -0.166 0.000 1.089 124 L CA 1.368 56.082 54.840 -0.209 0.000 0.757 124 L CB -0.647 41.245 42.059 -0.278 0.000 0.899 124 L HN 0.391 nan 8.230 nan 0.000 0.434 125 N N 0.292 118.919 118.700 -0.122 0.000 2.453 125 N HA -0.113 4.589 4.740 -0.062 0.000 0.183 125 N C 1.475 176.923 175.510 -0.103 0.000 1.041 125 N CA 0.846 53.836 53.050 -0.099 0.000 0.900 125 N CB -0.023 38.425 38.487 -0.064 0.000 0.961 125 N HN 0.375 nan 8.380 nan 0.000 0.443 126 R N -0.016 120.429 120.500 -0.092 0.000 2.320 126 R HA 0.244 4.547 4.340 -0.062 0.000 0.211 126 R C 0.079 176.338 176.300 -0.068 0.000 0.931 126 R CA 0.143 56.204 56.100 -0.065 0.000 1.071 126 R CB 0.376 30.650 30.300 -0.044 0.000 1.025 126 R HN 0.134 nan 8.270 nan 0.000 0.495 127 I N 3.104 123.614 120.570 -0.099 0.000 2.354 127 I HA 0.236 4.368 4.170 -0.062 0.000 0.292 127 I C -2.077 173.976 176.117 -0.106 0.000 0.989 127 I CA -2.799 58.440 61.300 -0.102 0.000 1.188 127 I CB 1.828 39.743 38.000 -0.142 0.000 1.342 127 I HN -0.242 nan 8.210 nan 0.000 0.457 128 P HA 0.028 nan 4.420 nan 0.000 0.265 128 P C 0.708 177.946 177.300 -0.104 0.000 1.193 128 P CA 0.548 63.603 63.100 -0.075 0.000 0.765 128 P CB 0.850 32.542 31.700 -0.013 0.000 0.823 129 G N 1.263 109.989 108.800 -0.123 0.000 2.179 129 G HA2 -0.186 3.737 3.960 -0.062 0.000 0.260 129 G HA3 -0.186 3.737 3.960 -0.062 0.000 0.260 129 G C -0.144 174.661 174.900 -0.159 0.000 0.977 129 G CA -0.009 45.002 45.100 -0.149 0.000 0.641 129 G HN 0.558 nan 8.290 nan 0.000 0.533 130 V N 0.572 120.400 119.914 -0.143 0.000 2.448 130 V HA 0.776 4.858 4.120 -0.062 0.000 0.295 130 V C 0.145 176.184 176.094 -0.091 0.000 1.025 130 V CA -0.014 62.210 62.300 -0.127 0.000 0.859 130 V CB 1.868 33.580 31.823 -0.185 0.000 0.988 130 V HN 0.539 nan 8.190 nan 0.000 0.431 131 S N 3.661 119.341 115.700 -0.033 0.000 2.552 131 S HA 0.780 5.213 4.470 -0.062 0.000 0.314 131 S C -0.298 174.328 174.600 0.043 0.000 1.099 131 S CA -0.135 58.058 58.200 -0.013 0.000 1.070 131 S CB 1.176 64.372 63.200 -0.006 0.000 0.998 131 S HN 1.125 nan 8.310 nan 0.000 0.474 132 A N 6.754 129.593 122.820 0.032 0.000 2.709 132 A HA 0.669 4.952 4.320 -0.062 0.000 0.332 132 A C -2.887 174.721 177.584 0.039 0.000 1.241 132 A CA -1.608 50.464 52.037 0.059 0.000 0.782 132 A CB 0.249 19.269 19.000 0.034 0.000 1.109 132 A HN 0.606 nan 8.150 nan 0.000 0.472 133 P HA 0.124 nan 4.420 nan 0.000 0.268 133 P C 0.098 177.410 177.300 0.020 0.000 1.208 133 P CA 0.030 63.147 63.100 0.028 0.000 0.777 133 P CB 0.569 32.240 31.700 -0.048 0.000 0.875 134 E N 1.052 121.301 120.200 0.083 0.000 2.408 134 E HA 0.037 4.350 4.350 -0.062 0.000 0.259 134 E C 0.123 176.714 176.600 -0.016 0.000 1.110 134 E CA -0.280 56.189 56.400 0.115 0.000 0.929 134 E CB 0.092 29.962 29.700 0.284 0.000 0.971 134 E HN 0.386 nan 8.360 nan 0.000 0.438 135 N N 2.601 121.277 118.700 -0.040 0.000 2.292 135 N HA -0.061 4.642 4.740 -0.062 0.000 0.258 135 N C -0.757 174.614 175.510 -0.232 0.000 1.261 135 N CA 0.684 53.645 53.050 -0.149 0.000 0.845 135 N CB -0.213 38.195 38.487 -0.132 0.000 1.064 135 N HN 0.515 nan 8.380 nan 0.000 0.471 136 N N -0.927 117.544 118.700 -0.382 0.000 3.127 136 N HA 0.546 5.249 4.740 -0.062 0.000 0.239 136 N C 0.214 175.463 175.510 -0.435 0.000 1.407 136 N CA -0.414 52.167 53.050 -0.782 0.000 0.891 136 N CB 0.682 38.513 38.487 -1.094 0.000 1.447 136 N HN 0.510 nan 8.380 nan 0.000 0.507 137 G N 0.070 108.704 108.800 -0.278 0.000 2.582 137 G HA2 -0.389 3.534 3.960 -0.062 0.000 0.288 137 G HA3 -0.389 3.534 3.960 -0.062 0.000 0.288 137 G C 0.831 175.712 174.900 -0.031 0.000 1.247 137 G CA 0.880 45.943 45.100 -0.062 0.000 0.972 137 G HN 0.935 nan 8.290 nan 0.000 0.557 138 T N 1.166 115.684 114.554 -0.061 0.000 2.699 138 T HA 0.037 4.350 4.350 -0.062 0.000 0.268 138 T C 2.061 176.661 174.700 -0.166 0.000 1.036 138 T CA 2.345 64.413 62.100 -0.054 0.000 1.147 138 T CB -0.573 68.259 68.868 -0.060 0.000 0.862 138 T HN 1.572 nan 8.240 nan 0.000 0.446 139 G N 0.860 109.485 108.800 -0.291 0.000 3.639 139 G HA2 0.228 4.150 3.960 -0.062 0.000 0.279 139 G HA3 0.228 4.150 3.960 -0.062 0.000 0.279 139 G C 0.519 175.107 174.900 -0.519 0.000 1.312 139 G CA -0.296 44.477 45.100 -0.545 0.000 1.355 139 G HN 0.385 nan 8.290 nan 0.000 0.595 140 S N 0.884 116.422 115.700 -0.270 0.000 3.456 140 S HA 0.318 4.751 4.470 -0.062 0.000 0.229 140 S C 0.145 174.742 174.600 -0.004 0.000 1.416 140 S CA -0.609 57.550 58.200 -0.067 0.000 1.197 140 S CB -0.755 62.552 63.200 0.179 0.000 1.201 140 S HN 0.822 nan 8.310 nan 0.000 0.479 141 H N -2.805 116.201 119.070 -0.106 0.000 2.969 141 H HA 0.399 4.917 4.556 -0.062 0.000 0.304 141 H C -0.486 174.779 175.328 -0.105 0.000 1.400 141 H CA -0.826 55.166 56.048 -0.095 0.000 1.182 141 H CB -0.351 29.372 29.762 -0.064 0.000 1.865 141 H HN -0.053 nan 8.280 nan 0.000 0.512 142 D N 0.272 120.722 120.400 0.084 0.000 2.348 142 D HA -0.006 4.596 4.640 -0.062 0.000 0.216 142 D C 1.469 177.832 176.300 0.105 0.000 0.970 142 D CA 0.753 54.772 54.000 0.031 0.000 0.889 142 D CB 0.180 40.988 40.800 0.014 0.000 0.912 142 D HN 0.412 nan 8.370 nan 0.000 0.524 143 L N 0.071 121.513 121.223 0.365 0.000 2.313 143 L HA 0.134 4.437 4.340 -0.062 0.000 0.214 143 L C 1.222 178.164 176.870 0.121 0.000 1.119 143 L CA 0.365 55.403 54.840 0.329 0.000 0.809 143 L CB -0.478 41.849 42.059 0.446 0.000 0.933 143 L HN -0.122 nan 8.230 nan 0.000 0.449 144 A N -0.476 122.263 122.820 -0.135 0.000 2.257 144 A HA 0.615 4.898 4.320 -0.062 0.000 0.289 144 A C -0.223 177.213 177.584 -0.246 0.000 1.095 144 A CA -0.339 51.507 52.037 -0.319 0.000 0.836 144 A CB 0.602 19.190 19.000 -0.685 0.000 1.111 144 A HN 0.126 nan 8.150 nan 0.000 0.497 145 M N 1.395 120.859 119.600 -0.227 0.000 2.263 145 M HA 0.379 4.822 4.480 -0.062 0.000 0.295 145 M C -1.886 174.304 176.300 -0.182 0.000 1.028 145 M CA -0.437 54.773 55.300 -0.150 0.000 0.921 145 M CB 1.489 34.044 32.600 -0.075 0.000 1.601 145 M HN 0.718 nan 8.290 nan 0.000 0.440 146 N N 5.959 124.586 118.700 -0.123 0.000 2.399 146 N HA 0.693 5.396 4.740 -0.062 0.000 0.284 146 N C -1.800 173.706 175.510 -0.006 0.000 1.025 146 N CA -0.055 52.898 53.050 -0.163 0.000 0.885 146 N CB 1.917 40.292 38.487 -0.187 0.000 1.339 146 N HN 0.674 nan 8.380 nan 0.000 0.487 147 F N -1.253 118.615 119.950 -0.137 0.000 2.725 147 F HA 0.713 5.202 4.527 -0.063 0.000 0.309 147 F C -0.970 174.757 175.800 -0.123 0.000 1.132 147 F CA -1.058 56.871 58.000 -0.118 0.000 0.957 147 F CB 0.952 39.888 39.000 -0.107 0.000 1.286 147 F HN 0.327 nan 8.300 nan 0.000 0.440 148 G N 2.160 111.055 108.800 0.158 0.000 2.620 148 G HA2 0.678 4.601 3.960 -0.062 0.000 0.301 148 G HA3 0.678 4.601 3.960 -0.062 0.000 0.301 148 G C -2.285 172.668 174.900 0.089 0.000 1.347 148 G CA -1.021 44.104 45.100 0.041 0.000 0.971 148 G HN 0.626 nan 8.290 nan 0.000 0.488 149 I N 0.627 121.198 120.570 0.002 0.000 2.392 149 I HA 0.441 4.574 4.170 -0.062 0.000 0.295 149 I C 1.046 177.056 176.117 -0.180 0.000 0.985 149 I CA -0.635 60.607 61.300 -0.097 0.000 1.221 149 I CB 1.553 39.469 38.000 -0.139 0.000 1.366 149 I HN 0.759 nan 8.210 nan 0.000 0.467 150 R N 4.488 124.859 120.500 -0.215 0.000 3.405 150 R HA -0.226 4.077 4.340 -0.062 0.000 0.258 150 R C 1.032 177.356 176.300 0.040 0.000 1.030 150 R CA 0.667 56.639 56.100 -0.212 0.000 0.691 150 R CB -1.990 27.966 30.300 -0.575 0.000 1.093 150 R HN 1.187 nan 8.270 nan 0.000 0.448 151 G N -1.056 107.774 108.800 0.051 0.000 2.179 151 G HA2 -0.331 3.592 3.960 -0.062 0.000 0.260 151 G HA3 -0.331 3.592 3.960 -0.062 0.000 0.260 151 G C 0.279 175.305 174.900 0.210 0.000 0.977 151 G CA 0.230 45.425 45.100 0.158 0.000 0.641 151 G HN 0.268 nan 8.290 nan 0.000 0.533 152 L N 0.681 121.938 121.223 0.056 0.000 2.452 152 L HA 0.276 4.579 4.340 -0.062 0.000 0.267 152 L C 1.157 178.051 176.870 0.039 0.000 1.188 152 L CA -0.831 54.023 54.840 0.025 0.000 0.821 152 L CB 0.354 42.324 42.059 -0.148 0.000 1.102 152 L HN 0.195 nan 8.230 nan 0.000 0.470 153 N N 3.747 122.482 118.700 0.058 0.000 2.315 153 N HA -0.063 4.639 4.740 -0.062 0.000 0.270 153 N C -1.655 173.819 175.510 -0.061 0.000 1.329 153 N CA -0.781 52.291 53.050 0.037 0.000 0.860 153 N CB 0.839 39.344 38.487 0.030 0.000 1.095 153 N HN 0.350 nan 8.380 nan 0.000 0.487 154 P HA -0.034 nan 4.420 nan 0.000 0.235 154 P C 0.207 177.368 177.300 -0.232 0.000 1.177 154 P CA 0.210 63.221 63.100 -0.148 0.000 0.785 154 P CB 0.309 31.958 31.700 -0.086 0.000 0.885 155 R N 2.162 122.528 120.500 -0.223 0.000 2.473 155 R HA 0.041 4.344 4.340 -0.062 0.000 0.315 155 R C 0.603 176.753 176.300 -0.251 0.000 0.972 155 R CA 0.172 56.124 56.100 -0.247 0.000 1.047 155 R CB -0.808 29.366 30.300 -0.208 0.000 0.932 155 R HN 0.080 nan 8.270 nan 0.000 0.411 156 L N 3.046 124.100 121.223 -0.280 0.000 4.232 156 L HA -0.331 3.972 4.340 -0.062 0.000 0.415 156 L C 0.551 177.188 176.870 -0.387 0.000 1.168 156 L CA 0.738 55.400 54.840 -0.297 0.000 0.966 156 L CB -2.071 39.846 42.059 -0.236 0.000 2.052 156 L HN 0.998 nan 8.230 nan 0.000 0.887 157 A N -0.175 122.337 122.820 -0.514 0.000 2.415 157 A HA -0.210 4.073 4.320 -0.062 0.000 0.292 157 A C 1.369 178.562 177.584 -0.652 0.000 1.452 157 A CA 1.303 52.814 52.037 -0.877 0.000 0.750 157 A CB -1.416 16.886 19.000 -1.165 0.000 1.099 157 A HN 1.235 nan 8.150 nan 0.000 0.391 158 S N -1.024 114.405 115.700 -0.451 0.000 2.540 158 S HA 0.167 4.600 4.470 -0.062 0.000 0.218 158 S C 1.121 175.538 174.600 -0.305 0.000 0.977 158 S CA 0.265 58.255 58.200 -0.349 0.000 0.918 158 S CB 0.099 63.146 63.200 -0.255 0.000 0.806 158 S HN 0.709 nan 8.310 nan 0.000 0.496 159 R N 0.921 121.233 120.500 -0.314 0.000 2.468 159 R HA 0.420 4.723 4.340 -0.062 0.000 0.280 159 R C -0.394 175.732 176.300 -0.289 0.000 0.963 159 R CA -0.036 55.904 56.100 -0.267 0.000 1.083 159 R CB 0.462 30.639 30.300 -0.205 0.000 1.200 159 R HN 0.238 nan 8.270 nan 0.000 0.541 160 S N 0.049 115.584 115.700 -0.275 0.000 2.599 160 S HA 0.347 4.780 4.470 -0.062 0.000 0.294 160 S C -0.379 174.088 174.600 -0.221 0.000 1.094 160 S CA -0.510 57.572 58.200 -0.195 0.000 0.931 160 S CB 2.561 65.764 63.200 0.005 0.000 1.093 160 S HN -0.050 nan 8.310 nan 0.000 0.488 161 T N 2.287 116.714 114.554 -0.212 0.000 2.723 161 T HA 0.369 4.682 4.350 -0.062 0.000 0.297 161 T C -0.312 174.261 174.700 -0.211 0.000 0.925 161 T CA -0.297 61.665 62.100 -0.230 0.000 1.030 161 T CB 0.093 68.842 68.868 -0.200 0.000 0.905 161 T HN 0.318 nan 8.240 nan 0.000 0.502 162 V N 6.372 126.172 119.914 -0.191 0.000 2.407 162 V HA 0.535 4.618 4.120 -0.062 0.000 0.278 162 V C 0.033 176.023 176.094 -0.173 0.000 1.037 162 V CA -0.639 61.574 62.300 -0.145 0.000 0.900 162 V CB 0.704 32.512 31.823 -0.026 0.000 0.983 162 V HN 0.709 nan 8.190 nan 0.000 0.459 163 L N 4.567 125.658 121.223 -0.219 0.000 2.359 163 L HA 0.721 5.023 4.340 -0.062 0.000 0.256 163 L C -0.602 176.210 176.870 -0.097 0.000 1.026 163 L CA -0.704 54.019 54.840 -0.196 0.000 0.828 163 L CB 2.424 44.316 42.059 -0.279 0.000 1.406 163 L HN 0.609 nan 8.230 nan 0.000 0.413 164 M N 1.545 121.106 119.600 -0.065 0.000 2.151 164 M HA 0.360 4.803 4.480 -0.062 0.000 0.290 164 M C -1.192 175.074 176.300 -0.057 0.000 0.965 164 M CA -0.120 55.190 55.300 0.016 0.000 0.930 164 M CB 1.207 33.828 32.600 0.034 0.000 1.560 164 M HN 0.627 nan 8.290 nan 0.000 0.438 165 D N 4.070 124.439 120.400 -0.051 0.000 2.701 165 D HA -0.188 4.415 4.640 -0.062 0.000 0.235 165 D C 0.992 177.238 176.300 -0.090 0.000 1.155 165 D CA 2.093 56.057 54.000 -0.059 0.000 0.649 165 D CB -1.337 39.450 40.800 -0.021 0.000 1.050 165 D HN 1.253 nan 8.370 nan 0.000 0.425 166 G N -1.194 107.520 108.800 -0.143 0.000 2.212 166 G HA2 -0.362 3.561 3.960 -0.062 0.000 0.266 166 G HA3 -0.362 3.561 3.960 -0.062 0.000 0.266 166 G C 0.486 175.288 174.900 -0.163 0.000 0.978 166 G CA 0.408 45.424 45.100 -0.140 0.000 0.632 166 G HN 0.561 nan 8.290 nan 0.000 0.537 167 I N 2.139 122.581 120.570 -0.214 0.000 2.428 167 I HA 0.330 4.462 4.170 -0.062 0.000 0.289 167 I C -1.970 173.903 176.117 -0.407 0.000 1.019 167 I CA -2.399 58.659 61.300 -0.405 0.000 1.351 167 I CB 1.240 39.014 38.000 -0.378 0.000 1.412 167 I HN -0.166 nan 8.210 nan 0.000 0.513 168 P HA -0.010 nan 4.420 nan 0.000 0.263 168 P C 0.623 177.763 177.300 -0.267 0.000 1.195 168 P CA 0.122 63.019 63.100 -0.338 0.000 0.762 168 P CB 0.720 32.263 31.700 -0.262 0.000 0.799 169 V N 5.531 125.325 119.914 -0.201 0.000 2.535 169 V HA 0.012 4.095 4.120 -0.062 0.000 0.246 169 V C -1.558 174.397 176.094 -0.230 0.000 1.045 169 V CA 1.025 63.223 62.300 -0.171 0.000 1.058 169 V CB -1.615 30.154 31.823 -0.090 0.000 0.689 169 V HN 0.586 nan 8.190 nan 0.000 0.461 170 P HA -0.004 nan 4.420 nan 0.000 0.269 170 P C 0.278 177.331 177.300 -0.411 0.000 1.209 170 P CA 0.188 62.991 63.100 -0.494 0.000 0.776 170 P CB 0.201 31.613 31.700 -0.479 0.000 0.876 171 F N 0.715 120.489 119.950 -0.294 0.000 2.661 171 F HA 0.409 4.898 4.527 -0.062 0.000 0.298 171 F C 0.835 176.471 175.800 -0.274 0.000 1.137 171 F CA -0.219 57.585 58.000 -0.327 0.000 1.454 171 F CB -0.731 37.932 39.000 -0.561 0.000 1.103 171 F HN 0.189 nan 8.300 nan 0.000 0.577 172 A N 0.296 122.969 122.820 -0.244 0.000 3.307 172 A HA 0.495 4.777 4.320 -0.062 0.000 0.289 172 A C -2.069 175.433 177.584 -0.137 0.000 1.138 172 A CA -0.985 51.060 52.037 0.015 0.000 0.860 172 A CB -0.044 19.096 19.000 0.232 0.000 1.318 172 A HN -0.036 nan 8.150 nan 0.000 0.551 173 P HA -0.226 nan 4.420 nan 0.000 0.216 173 P C 0.811 177.924 177.300 -0.312 0.000 1.154 173 P CA 1.813 64.780 63.100 -0.221 0.000 0.865 173 P CB 0.048 31.673 31.700 -0.125 0.000 0.789 174 Y N -1.169 119.036 120.300 -0.159 0.000 2.190 174 Y HA 0.165 4.677 4.550 -0.062 0.000 0.290 174 Y C 2.866 178.565 175.900 -0.335 0.000 1.115 174 Y CA 1.737 59.729 58.100 -0.180 0.000 1.107 174 Y CB -1.327 37.070 38.460 -0.105 0.000 1.033 174 Y HN -0.128 nan 8.280 nan 0.000 0.502 175 G N -1.466 107.083 108.800 -0.418 0.000 2.464 175 G HA2 -0.066 3.857 3.960 -0.062 0.000 0.217 175 G HA3 -0.066 3.857 3.960 -0.062 0.000 0.217 175 G C 0.742 175.212 174.900 -0.716 0.000 1.138 175 G CA 0.549 44.879 45.100 -1.283 0.000 0.793 175 G HN 0.138 nan 8.290 nan 0.000 0.539 176 Q N -0.351 119.280 119.800 -0.282 0.000 3.605 176 Q HA 0.187 4.490 4.340 -0.062 0.000 0.222 176 Q C -2.313 173.520 176.000 -0.278 0.000 0.915 176 Q CA -1.210 54.531 55.803 -0.105 0.000 0.731 176 Q CB 2.426 31.295 28.738 0.218 0.000 1.423 176 Q HN 0.248 nan 8.270 nan 0.000 0.446 177 P HA -0.042 nan 4.420 nan 0.000 0.245 177 P C -0.097 176.941 177.300 -0.437 0.000 1.212 177 P CA 0.112 62.965 63.100 -0.412 0.000 0.774 177 P CB 0.608 32.096 31.700 -0.352 0.000 0.999 178 Q N 0.624 120.214 119.800 -0.349 0.000 2.271 178 Q HA 0.130 4.433 4.340 -0.062 0.000 0.273 178 Q C 0.475 176.252 176.000 -0.371 0.000 1.051 178 Q CA 0.478 56.106 55.803 -0.292 0.000 0.901 178 Q CB -0.033 28.617 28.738 -0.148 0.000 1.174 178 Q HN 0.244 nan 8.270 nan 0.000 0.385 179 L N 2.361 123.373 121.223 -0.350 0.000 2.533 179 L HA 0.064 4.366 4.340 -0.062 0.000 0.239 179 L C 0.986 177.749 176.870 -0.180 0.000 1.376 179 L CA -0.121 54.531 54.840 -0.314 0.000 1.240 179 L CB -0.643 41.239 42.059 -0.295 0.000 1.487 179 L HN 0.740 nan 8.230 nan 0.000 0.419 180 S N 0.373 116.046 115.700 -0.045 0.000 2.442 180 S HA -0.047 4.385 4.470 -0.062 0.000 0.236 180 S C 0.726 175.292 174.600 -0.055 0.000 1.007 180 S CA 0.488 58.642 58.200 -0.076 0.000 0.965 180 S CB 0.253 63.516 63.200 0.106 0.000 0.773 180 S HN 0.460 nan 8.310 nan 0.000 0.504 181 L N 1.129 122.476 121.223 0.206 0.000 2.406 181 L HA 0.692 4.995 4.340 -0.062 0.000 0.272 181 L C -1.458 175.419 176.870 0.010 0.000 0.980 181 L CA -0.483 54.496 54.840 0.232 0.000 0.831 181 L CB 1.751 44.038 42.059 0.380 0.000 1.253 181 L HN 0.194 nan 8.230 nan 0.000 0.406 182 A N 6.961 129.703 122.820 -0.130 0.000 2.664 182 A HA 0.593 4.876 4.320 -0.062 0.000 0.338 182 A C -2.395 174.911 177.584 -0.463 0.000 1.280 182 A CA -1.154 50.734 52.037 -0.249 0.000 0.809 182 A CB 0.370 19.245 19.000 -0.208 0.000 1.114 182 A HN 0.487 nan 8.150 nan 0.000 0.479 183 P HA 0.236 nan 4.420 nan 0.000 0.230 183 P C -0.332 176.573 177.300 -0.659 0.000 1.791 183 P CA 0.343 62.708 63.100 -1.225 0.000 1.020 183 P CB -0.349 30.771 31.700 -0.966 0.000 1.977 184 V N -1.999 117.635 119.914 -0.467 0.000 3.049 184 V HA 0.806 4.889 4.120 -0.062 0.000 0.309 184 V C -0.542 175.419 176.094 -0.221 0.000 1.148 184 V CA -1.008 61.103 62.300 -0.315 0.000 0.990 184 V CB 2.184 33.687 31.823 -0.534 0.000 1.039 184 V HN 0.068 nan 8.190 nan 0.000 0.430 185 S N 1.887 117.479 115.700 -0.180 0.000 2.575 185 S HA 0.510 4.943 4.470 -0.062 0.000 0.278 185 S C 0.293 174.784 174.600 -0.181 0.000 1.139 185 S CA -0.421 57.687 58.200 -0.154 0.000 0.954 185 S CB 1.679 64.829 63.200 -0.084 0.000 1.054 185 S HN 1.079 nan 8.310 nan 0.000 0.483 186 L N 4.234 125.322 121.223 -0.225 0.000 2.051 186 L HA -0.072 4.231 4.340 -0.062 0.000 0.214 186 L C 2.253 179.092 176.870 -0.051 0.000 1.076 186 L CA 2.631 57.340 54.840 -0.219 0.000 0.758 186 L CB -0.986 40.880 42.059 -0.322 0.000 0.890 186 L HN 0.914 nan 8.230 nan 0.000 0.433 187 G N -1.048 107.712 108.800 -0.066 0.000 2.485 187 G HA2 -0.307 3.616 3.960 -0.062 0.000 0.221 187 G HA3 -0.307 3.616 3.960 -0.062 0.000 0.221 187 G C 1.240 176.148 174.900 0.014 0.000 1.115 187 G CA 0.988 46.077 45.100 -0.018 0.000 0.751 187 G HN 0.506 nan 8.290 nan 0.000 0.567 188 N N -0.159 118.540 118.700 -0.001 0.000 2.268 188 N HA 0.178 4.881 4.740 -0.062 0.000 0.204 188 N C 0.161 175.704 175.510 0.055 0.000 1.124 188 N CA 0.218 53.282 53.050 0.023 0.000 0.838 188 N CB 0.348 38.843 38.487 0.012 0.000 0.994 188 N HN 0.184 nan 8.380 nan 0.000 0.489 189 M N -0.280 119.386 119.600 0.109 0.000 2.508 189 M HA 0.265 4.708 4.480 -0.062 0.000 0.327 189 M C 0.512 176.914 176.300 0.170 0.000 1.160 189 M CA -0.506 54.892 55.300 0.164 0.000 0.980 189 M CB 1.661 34.396 32.600 0.226 0.000 1.693 189 M HN -0.237 nan 8.290 nan 0.000 0.452 190 D N 1.087 121.538 120.400 0.084 0.000 2.355 190 D HA 0.476 5.079 4.640 -0.062 0.000 0.206 190 D C -0.135 176.147 176.300 -0.029 0.000 1.010 190 D CA 0.586 54.568 54.000 -0.030 0.000 0.875 190 D CB 0.871 41.649 40.800 -0.037 0.000 0.966 190 D HN 0.688 nan 8.370 nan 0.000 0.512 191 A N -0.419 122.479 122.820 0.131 0.000 2.586 191 A HA 0.592 4.875 4.320 -0.062 0.000 0.291 191 A C -1.720 175.981 177.584 0.195 0.000 1.062 191 A CA -0.618 51.518 52.037 0.165 0.000 0.666 191 A CB 0.752 19.768 19.000 0.026 0.000 1.281 191 A HN -0.019 nan 8.150 nan 0.000 0.421 192 I N 1.421 122.075 120.570 0.139 0.000 2.447 192 I HA 0.367 4.500 4.170 -0.062 0.000 0.287 192 I C -1.361 174.685 176.117 -0.119 0.000 1.023 192 I CA -0.383 60.915 61.300 -0.003 0.000 1.083 192 I CB 2.043 40.046 38.000 0.005 0.000 1.245 192 I HN 0.628 nan 8.210 nan 0.000 0.434 193 D N 6.596 126.856 120.400 -0.234 0.000 2.453 193 D HA 0.310 4.913 4.640 -0.062 0.000 0.238 193 D C -1.010 175.098 176.300 -0.319 0.000 1.088 193 D CA -0.260 53.600 54.000 -0.233 0.000 0.854 193 D CB 1.808 42.489 40.800 -0.199 0.000 1.076 193 D HN 0.068 nan 8.370 nan 0.000 0.533 194 V N 4.557 124.295 119.914 -0.294 0.000 2.318 194 V HA 0.232 4.315 4.120 -0.062 0.000 0.271 194 V C 0.280 176.204 176.094 -0.283 0.000 1.030 194 V CA -0.721 61.389 62.300 -0.318 0.000 0.844 194 V CB 1.460 33.099 31.823 -0.308 0.000 1.015 194 V HN 0.357 nan 8.190 nan 0.000 0.460 195 V N 6.876 126.624 119.914 -0.277 0.000 2.240 195 V HA 0.299 4.382 4.120 -0.062 0.000 0.265 195 V C 1.385 177.360 176.094 -0.199 0.000 1.073 195 V CA -0.375 61.767 62.300 -0.264 0.000 0.857 195 V CB 0.212 31.926 31.823 -0.181 0.000 1.114 195 V HN 0.798 nan 8.190 nan 0.000 0.469 196 R N 2.437 122.813 120.500 -0.206 0.000 2.148 196 R HA 0.118 4.421 4.340 -0.062 0.000 0.227 196 R C 1.029 177.243 176.300 -0.142 0.000 1.103 196 R CA 0.961 56.947 56.100 -0.191 0.000 0.983 196 R CB 0.329 30.500 30.300 -0.216 0.000 0.874 196 R HN 0.695 nan 8.270 nan 0.000 0.451 197 G N -2.221 106.518 108.800 -0.103 0.000 2.659 197 G HA2 0.444 4.366 3.960 -0.062 0.000 0.296 197 G HA3 0.444 4.366 3.960 -0.062 0.000 0.296 197 G C 0.136 175.045 174.900 0.016 0.000 1.369 197 G CA -0.123 44.946 45.100 -0.051 0.000 0.937 197 G HN 0.101 nan 8.290 nan 0.000 0.485 198 G N -0.829 107.961 108.800 -0.017 0.000 2.176 198 G HA2 0.013 3.936 3.960 -0.062 0.000 0.253 198 G HA3 0.013 3.936 3.960 -0.062 0.000 0.253 198 G C 1.068 176.020 174.900 0.087 0.000 0.979 198 G CA 0.849 45.907 45.100 -0.070 0.000 0.641 198 G HN 1.867 nan 8.290 nan 0.000 0.530 199 G N -0.331 108.597 108.800 0.214 0.000 3.192 199 G HA2 0.554 4.477 3.960 -0.062 0.000 0.239 199 G HA3 0.554 4.477 3.960 -0.062 0.000 0.239 199 G C 1.408 176.469 174.900 0.268 0.000 1.084 199 G CA 1.535 46.911 45.100 0.460 0.000 0.784 199 G HN 1.348 nan 8.290 nan 0.000 0.540 200 A N 0.075 122.967 122.820 0.121 0.000 2.172 200 A HA 0.242 4.525 4.320 -0.062 0.000 0.216 200 A C 2.219 179.841 177.584 0.063 0.000 1.154 200 A CA 1.144 53.225 52.037 0.074 0.000 0.701 200 A CB -0.065 18.954 19.000 0.032 0.000 0.789 200 A HN 0.231 nan 8.150 nan 0.000 0.465 201 V N -0.757 119.173 119.914 0.027 0.000 2.426 201 V HA -0.072 4.011 4.120 -0.062 0.000 0.242 201 V C 2.430 178.374 176.094 -0.250 0.000 1.036 201 V CA 1.628 63.912 62.300 -0.027 0.000 1.044 201 V CB -0.480 31.344 31.823 0.002 0.000 0.688 201 V HN 0.513 nan 8.190 nan 0.000 0.462 202 R N -1.656 118.558 120.500 -0.477 0.000 2.246 202 R HA 0.105 4.408 4.340 -0.062 0.000 0.199 202 R C -0.444 175.161 176.300 -1.158 0.000 0.984 202 R CA 0.468 55.881 56.100 -1.145 0.000 1.015 202 R CB 0.205 29.663 30.300 -1.403 0.000 0.930 202 R HN 0.441 nan 8.270 nan 0.000 0.475 203 Y N -1.089 119.120 120.300 -0.152 0.000 2.477 203 Y HA 0.645 5.158 4.550 -0.062 0.000 0.347 203 Y C 0.464 176.323 175.900 -0.069 0.000 0.981 203 Y CA -1.002 57.028 58.100 -0.117 0.000 1.033 203 Y CB 2.546 40.917 38.460 -0.148 0.000 1.245 203 Y HN -0.049 nan 8.280 nan 0.000 0.455 204 G N 1.640 110.477 108.800 0.061 0.000 2.506 204 G HA2 0.579 4.502 3.960 -0.062 0.000 0.292 204 G HA3 0.579 4.502 3.960 -0.062 0.000 0.292 204 G C -3.391 171.384 174.900 -0.208 0.000 1.425 204 G CA -1.232 43.833 45.100 -0.059 0.000 0.788 204 G HN 0.319 nan 8.290 nan 0.000 0.490 205 P HA 0.347 nan 4.420 nan 0.000 0.321 205 P C -0.885 175.984 177.300 -0.718 0.000 1.304 205 P CA -0.021 62.584 63.100 -0.826 0.000 0.759 205 P CB 0.941 32.017 31.700 -1.041 0.000 1.385 206 Q N -1.809 117.487 119.800 -0.840 0.000 2.487 206 Q HA -0.111 4.191 4.340 -0.062 0.000 0.279 206 Q C 0.762 176.495 176.000 -0.445 0.000 1.228 206 Q CA 1.077 56.553 55.803 -0.545 0.000 0.873 206 Q CB -3.335 25.149 28.738 -0.423 0.000 1.260 206 Q HN 0.663 nan 8.270 nan 0.000 0.471 207 S N -2.753 112.677 115.700 -0.452 0.000 2.593 207 S HA 0.139 4.571 4.470 -0.062 0.000 0.217 207 S C 1.591 176.023 174.600 -0.279 0.000 0.966 207 S CA 0.358 58.391 58.200 -0.280 0.000 0.914 207 S CB 0.219 63.326 63.200 -0.154 0.000 0.776 207 S HN 0.220 nan 8.310 nan 0.000 0.523 208 V N 2.024 121.697 119.914 -0.402 0.000 2.332 208 V HA -0.072 4.011 4.120 -0.062 0.000 0.248 208 V C 2.389 178.242 176.094 -0.403 0.000 1.055 208 V CA 1.934 63.937 62.300 -0.495 0.000 1.038 208 V CB -1.301 29.945 31.823 -0.962 0.000 0.651 208 V HN 0.691 nan 8.190 nan 0.000 0.450 209 G N -1.060 107.525 108.800 -0.358 0.000 3.440 209 G HA2 0.460 4.383 3.960 -0.062 0.000 0.263 209 G HA3 0.460 4.383 3.960 -0.062 0.000 0.263 209 G C 0.806 175.578 174.900 -0.213 0.000 1.236 209 G CA 0.598 45.530 45.100 -0.280 0.000 0.927 209 G HN 0.924 nan 8.290 nan 0.000 0.530 210 G N -1.144 107.533 108.800 -0.205 0.000 2.598 210 G HA2 0.025 3.947 3.960 -0.062 0.000 0.244 210 G HA3 0.025 3.947 3.960 -0.062 0.000 0.244 210 G C -0.184 174.619 174.900 -0.161 0.000 1.302 210 G CA 0.083 45.087 45.100 -0.160 0.000 0.903 210 G HN 1.424 nan 8.290 nan 0.000 0.575 211 V N -0.899 118.910 119.914 -0.175 0.000 2.735 211 V HA 0.777 4.860 4.120 -0.062 0.000 0.310 211 V C -0.291 175.617 176.094 -0.310 0.000 1.061 211 V CA -0.294 61.861 62.300 -0.242 0.000 0.913 211 V CB 1.931 33.569 31.823 -0.308 0.000 1.005 211 V HN 1.413 nan 8.190 nan 0.000 0.428 212 V N 5.833 125.533 119.914 -0.357 0.000 2.407 212 V HA 0.545 4.627 4.120 -0.062 0.000 0.291 212 V C -0.472 175.210 176.094 -0.686 0.000 1.018 212 V CA -0.532 61.452 62.300 -0.527 0.000 0.842 212 V CB 1.580 33.062 31.823 -0.567 0.000 0.996 212 V HN 0.977 nan 8.190 nan 0.000 0.426 213 N N 3.537 121.816 118.700 -0.701 0.000 2.372 213 N HA 0.593 5.296 4.740 -0.062 0.000 0.285 213 N C -1.376 173.754 175.510 -0.633 0.000 1.008 213 N CA -0.444 52.237 53.050 -0.614 0.000 0.880 213 N CB 1.182 39.413 38.487 -0.426 0.000 1.239 213 N HN 0.359 nan 8.380 nan 0.000 0.484 214 F N 2.537 122.396 119.950 -0.151 0.000 2.391 214 F HA 0.345 4.836 4.527 -0.061 0.000 0.359 214 F C 0.147 175.897 175.800 -0.084 0.000 1.122 214 F CA -0.854 57.078 58.000 -0.112 0.000 1.120 214 F CB 0.990 39.922 39.000 -0.113 0.000 1.142 214 F HN 0.062 nan 8.300 nan 0.000 0.483 215 V N 3.212 123.179 119.914 0.089 0.000 2.385 215 V HA 0.238 4.320 4.120 -0.062 0.000 0.269 215 V C 0.458 176.592 176.094 0.067 0.000 1.043 215 V CA -0.872 61.453 62.300 0.042 0.000 0.906 215 V CB 0.862 32.690 31.823 0.008 0.000 0.995 215 V HN 0.867 nan 8.190 nan 0.000 0.467 216 T N 4.065 118.648 114.554 0.048 0.000 2.898 216 T HA 0.291 4.604 4.350 -0.062 0.000 0.301 216 T C 0.402 175.120 174.700 0.030 0.000 1.049 216 T CA -0.830 61.297 62.100 0.046 0.000 1.095 216 T CB 0.451 69.343 68.868 0.040 0.000 0.976 216 T HN 0.567 nan 8.240 nan 0.000 0.539 217 R N 1.298 121.815 120.500 0.028 0.000 2.638 217 R HA 0.313 4.616 4.340 -0.062 0.000 0.268 217 R C 0.754 177.053 176.300 -0.002 0.000 1.006 217 R CA -0.059 56.045 56.100 0.007 0.000 1.088 217 R CB -0.380 29.924 30.300 0.007 0.000 0.950 217 R HN 0.916 nan 8.270 nan 0.000 0.419 218 A N 3.740 126.550 122.820 -0.016 0.000 2.386 218 A HA 0.250 4.533 4.320 -0.062 0.000 0.248 218 A C 0.628 178.200 177.584 -0.020 0.000 1.082 218 A CA -0.468 51.558 52.037 -0.017 0.000 0.789 218 A CB 0.225 19.210 19.000 -0.024 0.000 1.025 218 A HN 0.692 nan 8.150 nan 0.000 0.490 219 I N 2.448 123.007 120.570 -0.019 0.000 2.471 219 I HA 0.156 4.289 4.170 -0.062 0.000 0.286 219 I C -1.909 174.191 176.117 -0.028 0.000 1.079 219 I CA -1.511 59.774 61.300 -0.026 0.000 1.398 219 I CB 0.856 38.837 38.000 -0.032 0.000 1.403 219 I HN 0.433 nan 8.210 nan 0.000 0.530 220 P HA -0.009 nan 4.420 nan 0.000 0.266 220 P C 0.241 177.536 177.300 -0.008 0.000 1.195 220 P CA -0.246 62.832 63.100 -0.037 0.000 0.768 220 P CB 0.519 32.173 31.700 -0.077 0.000 0.838 221 Q N 0.929 120.730 119.800 0.003 0.000 2.084 221 Q HA -0.108 4.195 4.340 -0.062 0.000 0.202 221 Q C 0.481 176.509 176.000 0.047 0.000 0.978 221 Q CA 1.774 57.589 55.803 0.021 0.000 0.844 221 Q CB -0.219 28.530 28.738 0.018 0.000 0.898 221 Q HN 0.545 nan 8.270 nan 0.000 0.426 222 D N -1.716 118.719 120.400 0.057 0.000 2.671 222 D HA 0.146 4.749 4.640 -0.062 0.000 0.232 222 D C -0.901 175.480 176.300 0.135 0.000 1.114 222 D CA -0.971 53.093 54.000 0.106 0.000 0.858 222 D CB 1.000 41.860 40.800 0.099 0.000 1.544 222 D HN -0.140 nan 8.370 nan 0.000 0.471 223 F N 1.535 121.507 119.950 0.038 0.000 2.377 223 F HA 0.188 4.678 4.527 -0.062 0.000 0.407 223 F C 0.554 176.383 175.800 0.049 0.000 0.934 223 F CA 1.386 59.411 58.000 0.042 0.000 1.162 223 F CB 0.243 39.268 39.000 0.041 0.000 0.882 223 F HN 0.269 nan 8.300 nan 0.000 0.553 224 G N 6.610 114.929 108.800 -0.802 0.000 2.746 224 G HA2 0.616 4.539 3.960 -0.062 0.000 0.297 224 G HA3 0.616 4.539 3.960 -0.062 0.000 0.297 224 G C -1.796 172.749 174.900 -0.593 0.000 1.426 224 G CA -0.777 44.026 45.100 -0.494 0.000 0.989 224 G HN 0.683 nan 8.290 nan 0.000 0.520 225 I N 1.114 121.535 120.570 -0.248 0.000 2.478 225 I HA 0.414 4.547 4.170 -0.062 0.000 0.287 225 I C -0.680 175.496 176.117 0.098 0.000 1.042 225 I CA -0.525 60.738 61.300 -0.062 0.000 1.067 225 I CB 2.482 40.530 38.000 0.080 0.000 1.233 225 I HN 0.415 nan 8.210 nan 0.000 0.431 226 E N 4.703 124.938 120.200 0.057 0.000 2.293 226 E HA 0.842 5.155 4.350 -0.062 0.000 0.270 226 E C -1.280 175.368 176.600 0.080 0.000 0.879 226 E CA -0.904 55.526 56.400 0.051 0.000 0.756 226 E CB 2.977 32.673 29.700 -0.006 0.000 1.208 226 E HN 0.641 nan 8.360 nan 0.000 0.428 227 A N 1.424 124.293 122.820 0.081 0.000 2.549 227 A HA 0.891 5.174 4.320 -0.062 0.000 0.297 227 A C -0.796 176.833 177.584 0.075 0.000 1.061 227 A CA -0.260 51.837 52.037 0.100 0.000 0.690 227 A CB 2.051 21.135 19.000 0.140 0.000 1.287 227 A HN 0.609 nan 8.150 nan 0.000 0.402 228 G N -1.014 107.839 108.800 0.088 0.000 2.684 228 G HA2 0.773 4.696 3.960 -0.062 0.000 0.290 228 G HA3 0.773 4.696 3.960 -0.062 0.000 0.290 228 G C -1.740 173.225 174.900 0.108 0.000 1.425 228 G CA -0.121 45.027 45.100 0.080 0.000 0.822 228 G HN 1.979 nan 8.290 nan 0.000 0.482 229 V N -0.668 119.306 119.914 0.101 0.000 3.077 229 V HA 0.826 4.909 4.120 -0.062 0.000 0.299 229 V C -1.681 174.473 176.094 0.101 0.000 1.276 229 V CA -0.702 61.668 62.300 0.117 0.000 0.993 229 V CB 2.084 33.988 31.823 0.134 0.000 1.076 229 V HN 1.058 nan 8.190 nan 0.000 0.434 230 E N 3.327 123.580 120.200 0.088 0.000 2.272 230 E HA 0.765 5.078 4.350 -0.062 0.000 0.269 230 E C -0.650 176.009 176.600 0.099 0.000 0.877 230 E CA -0.405 56.054 56.400 0.099 0.000 0.755 230 E CB 2.179 31.909 29.700 0.049 0.000 1.192 230 E HN 1.070 nan 8.360 nan 0.000 0.422 231 G N 2.959 111.841 108.800 0.136 0.000 2.461 231 G HA2 0.477 4.400 3.960 -0.062 0.000 0.323 231 G HA3 0.477 4.399 3.960 -0.062 0.000 0.323 231 G C -1.109 173.882 174.900 0.153 0.000 1.229 231 G CA -0.389 44.785 45.100 0.123 0.000 0.941 231 G HN 0.469 nan 8.290 nan 0.000 0.477 232 Q N -0.080 119.793 119.800 0.122 0.000 2.413 232 Q HA 0.724 5.027 4.340 -0.062 0.000 0.276 232 Q C -1.570 174.497 176.000 0.111 0.000 1.099 232 Q CA -0.872 55.015 55.803 0.140 0.000 0.814 232 Q CB 3.304 32.111 28.738 0.116 0.000 1.379 232 Q HN 0.435 nan 8.270 nan 0.000 0.436 233 L N 0.002 121.290 121.223 0.108 0.000 2.505 233 L HA 0.474 4.777 4.340 -0.062 0.000 0.259 233 L C -1.483 175.419 176.870 0.053 0.000 0.952 233 L CA -0.054 54.829 54.840 0.073 0.000 0.840 233 L CB 2.774 44.869 42.059 0.061 0.000 1.358 233 L HN 0.561 nan 8.230 nan 0.000 0.409 234 S N 5.216 120.927 115.700 0.018 0.000 2.528 234 S HA 0.364 4.797 4.470 -0.062 0.000 0.303 234 S C -2.015 172.512 174.600 -0.122 0.000 1.123 234 S CA -0.913 57.260 58.200 -0.045 0.000 1.138 234 S CB 1.240 64.418 63.200 -0.038 0.000 0.984 234 S HN 0.562 nan 8.310 nan 0.000 0.474 235 P HA -0.144 nan 4.420 nan 0.000 0.216 235 P C 1.671 178.887 177.300 -0.139 0.000 1.153 235 P CA 1.235 64.287 63.100 -0.080 0.000 0.858 235 P CB -0.108 31.577 31.700 -0.025 0.000 0.789 236 T N -4.961 109.485 114.554 -0.181 0.000 3.118 236 T HA 0.064 4.377 4.350 -0.062 0.000 0.260 236 T C 0.985 175.360 174.700 -0.542 0.000 1.139 236 T CA -0.024 61.961 62.100 -0.191 0.000 1.085 236 T CB -0.574 68.276 68.868 -0.030 0.000 0.934 236 T HN -0.021 nan 8.240 nan 0.000 0.518 237 S N 1.164 116.350 115.700 -0.858 0.000 2.632 237 S HA 0.365 4.798 4.470 -0.062 0.000 0.271 237 S C 1.573 175.760 174.600 -0.688 0.000 1.260 237 S CA -0.179 57.138 58.200 -1.471 0.000 1.010 237 S CB 1.113 63.696 63.200 -1.028 0.000 0.965 237 S HN 0.506 nan 8.310 nan 0.000 0.534 238 S N 2.007 117.391 115.700 -0.526 0.000 2.489 238 S HA -0.005 4.428 4.470 -0.062 0.000 0.228 238 S C 0.754 175.306 174.600 -0.080 0.000 0.995 238 S CA 0.202 58.335 58.200 -0.113 0.000 0.934 238 S CB -0.345 62.911 63.200 0.093 0.000 0.771 238 S HN 0.738 nan 8.310 nan 0.000 0.522 239 Q N 2.416 122.151 119.800 -0.108 0.000 2.286 239 Q HA 0.288 4.591 4.340 -0.062 0.000 0.265 239 Q C -0.072 175.897 176.000 -0.052 0.000 1.080 239 Q CA 0.465 56.244 55.803 -0.041 0.000 0.906 239 Q CB -0.178 28.553 28.738 -0.011 0.000 1.227 239 Q HN 0.531 nan 8.270 nan 0.000 0.409 240 N N 2.884 121.570 118.700 -0.024 0.000 2.254 240 N HA 0.088 4.791 4.740 -0.062 0.000 0.190 240 N C -0.562 174.948 175.510 0.001 0.000 1.107 240 N CA -0.298 52.742 53.050 -0.016 0.000 0.869 240 N CB 0.423 38.904 38.487 -0.010 0.000 0.983 240 N HN 0.485 nan 8.380 nan 0.000 0.487 241 N N 2.397 121.100 118.700 0.005 0.000 2.520 241 N HA 0.149 4.852 4.740 -0.062 0.000 0.273 241 N C -2.346 173.176 175.510 0.020 0.000 1.155 241 N CA -0.643 52.415 53.050 0.013 0.000 0.967 241 N CB 0.989 39.483 38.487 0.012 0.000 1.092 241 N HN 0.125 nan 8.380 nan 0.000 0.457 242 P HA 0.288 nan 4.420 nan 0.000 0.287 242 P C -0.973 176.350 177.300 0.039 0.000 1.296 242 P CA -0.507 62.618 63.100 0.042 0.000 0.811 242 P CB 1.563 33.294 31.700 0.051 0.000 1.211 243 K N 0.346 120.774 120.400 0.047 0.000 2.323 243 K HA 0.278 4.561 4.320 -0.062 0.000 0.259 243 K C -0.618 176.005 176.600 0.038 0.000 0.947 243 K CA -0.482 55.824 56.287 0.032 0.000 0.819 243 K CB 1.150 33.668 32.500 0.031 0.000 1.109 243 K HN 0.436 nan 8.250 nan 0.000 0.429 244 E N 3.494 123.713 120.200 0.031 0.000 2.210 244 E HA 0.309 4.622 4.350 -0.062 0.000 0.266 244 E C -1.461 175.128 176.600 -0.019 0.000 0.883 244 E CA -0.577 55.851 56.400 0.047 0.000 0.761 244 E CB 1.927 31.686 29.700 0.099 0.000 1.156 244 E HN 0.543 nan 8.360 nan 0.000 0.412 245 T N 5.013 119.541 114.554 -0.044 0.000 2.841 245 T HA 0.378 4.691 4.350 -0.062 0.000 0.285 245 T C -0.776 173.842 174.700 -0.137 0.000 0.991 245 T CA -0.799 61.190 62.100 -0.185 0.000 0.966 245 T CB 0.703 69.483 68.868 -0.147 0.000 0.962 245 T HN 0.475 nan 8.240 nan 0.000 0.438 246 H N 1.147 120.189 119.070 -0.046 0.000 2.797 246 H HA 0.769 5.287 4.556 -0.063 0.000 0.372 246 H C -1.016 174.259 175.328 -0.090 0.000 1.168 246 H CA -1.174 54.858 56.048 -0.027 0.000 1.163 246 H CB 1.949 31.727 29.762 0.027 0.000 1.778 246 H HN 0.693 nan 8.280 nan 0.000 0.551 247 N N 0.667 119.440 118.700 0.121 0.000 2.277 247 N HA 0.453 5.156 4.740 -0.062 0.000 0.286 247 N C -1.945 173.642 175.510 0.127 0.000 1.140 247 N CA -0.981 52.098 53.050 0.048 0.000 0.799 247 N CB 2.772 41.257 38.487 -0.003 0.000 1.596 247 N HN 0.533 nan 8.380 nan 0.000 0.473 248 L N 0.624 121.935 121.223 0.147 0.000 2.431 248 L HA 0.779 5.082 4.340 -0.062 0.000 0.266 248 L C -1.702 175.243 176.870 0.125 0.000 0.978 248 L CA -0.591 54.350 54.840 0.169 0.000 0.822 248 L CB 2.133 44.349 42.059 0.261 0.000 1.310 248 L HN 0.882 nan 8.230 nan 0.000 0.409 249 M N 6.665 126.313 119.600 0.080 0.000 2.213 249 M HA 0.640 5.083 4.480 -0.062 0.000 0.286 249 M C -1.979 174.319 176.300 -0.003 0.000 1.008 249 M CA -0.667 54.656 55.300 0.039 0.000 0.937 249 M CB 1.547 34.153 32.600 0.011 0.000 1.600 249 M HN 0.525 nan 8.290 nan 0.000 0.450 250 V N 2.734 122.640 119.914 -0.014 0.000 2.567 250 V HA 1.086 5.168 4.120 -0.062 0.000 0.298 250 V C -0.379 175.666 176.094 -0.083 0.000 1.047 250 V CA -0.081 62.166 62.300 -0.088 0.000 0.880 250 V CB 1.020 32.849 31.823 0.010 0.000 1.009 250 V HN 1.036 nan 8.190 nan 0.000 0.429 251 G N 1.652 110.319 108.800 -0.222 0.000 2.488 251 G HA2 0.966 4.889 3.960 -0.062 0.000 0.301 251 G HA3 0.966 4.889 3.960 -0.062 0.000 0.301 251 G C -0.452 174.383 174.900 -0.108 0.000 1.339 251 G CA 0.194 45.244 45.100 -0.083 0.000 0.803 251 G HN 1.863 nan 8.290 nan 0.000 0.482 252 G N -1.881 106.944 108.800 0.042 0.000 2.342 252 G HA2 0.732 4.655 3.960 -0.062 0.000 0.297 252 G HA3 0.732 4.655 3.960 -0.062 0.000 0.297 252 G C -0.886 174.066 174.900 0.087 0.000 1.313 252 G CA 0.845 46.005 45.100 0.100 0.000 0.830 252 G HN 1.880 nan 8.290 nan 0.000 0.506 253 T N -1.962 112.651 114.554 0.099 0.000 2.879 253 T HA 0.802 5.115 4.350 -0.062 0.000 0.290 253 T C 0.324 175.101 174.700 0.128 0.000 0.993 253 T CA 0.585 62.733 62.100 0.081 0.000 0.975 253 T CB 1.344 70.241 68.868 0.049 0.000 0.981 253 T HN 2.023 nan 8.240 nan 0.000 0.439 254 A N 2.903 125.825 122.820 0.169 0.000 2.386 254 A HA 0.390 4.673 4.320 -0.062 0.000 0.246 254 A C 1.080 178.756 177.584 0.154 0.000 1.089 254 A CA -0.267 51.872 52.037 0.169 0.000 0.790 254 A CB -0.308 18.817 19.000 0.208 0.000 1.042 254 A HN 0.934 nan 8.150 nan 0.000 0.497 255 D N 0.360 120.834 120.400 0.124 0.000 2.265 255 D HA -0.162 4.441 4.640 -0.062 0.000 0.208 255 D C 1.370 177.748 176.300 0.130 0.000 0.977 255 D CA 1.782 55.847 54.000 0.107 0.000 0.871 255 D CB -0.103 40.747 40.800 0.083 0.000 0.925 255 D HN 0.715 nan 8.370 nan 0.000 0.485 256 N N -0.057 118.745 118.700 0.169 0.000 2.571 256 N HA -0.008 4.695 4.740 -0.062 0.000 0.189 256 N C 1.363 177.044 175.510 0.285 0.000 1.154 256 N CA 0.987 54.164 53.050 0.212 0.000 0.907 256 N CB -0.025 38.598 38.487 0.226 0.000 0.977 256 N HN 0.199 nan 8.380 nan 0.000 0.449 257 G N -1.012 107.935 108.800 0.246 0.000 2.175 257 G HA2 -0.276 3.646 3.960 -0.062 0.000 0.244 257 G HA3 -0.276 3.646 3.960 -0.062 0.000 0.244 257 G C -0.382 174.744 174.900 0.378 0.000 0.982 257 G CA 0.149 45.386 45.100 0.228 0.000 0.641 257 G HN 0.448 nan 8.290 nan 0.000 0.527 258 F N 2.286 122.441 119.950 0.341 0.000 2.411 258 F HA 0.629 5.119 4.527 -0.062 0.000 0.355 258 F C 0.618 176.533 175.800 0.193 0.000 1.117 258 F CA -0.020 58.178 58.000 0.330 0.000 1.139 258 F CB 1.191 40.295 39.000 0.174 0.000 1.120 258 F HN 0.300 nan 8.300 nan 0.000 0.493 259 G N 2.838 111.298 108.800 -0.566 0.000 2.563 259 G HA2 0.641 4.564 3.960 -0.062 0.000 0.302 259 G HA3 0.641 4.564 3.960 -0.062 0.000 0.302 259 G C -1.454 173.121 174.900 -0.542 0.000 1.301 259 G CA -0.583 44.293 45.100 -0.373 0.000 0.965 259 G HN 0.843 nan 8.290 nan 0.000 0.480 260 T N -2.485 111.924 114.554 -0.241 0.000 2.885 260 T HA 0.798 5.110 4.350 -0.062 0.000 0.322 260 T C -0.785 173.906 174.700 -0.016 0.000 1.387 260 T CA -0.287 61.738 62.100 -0.126 0.000 1.041 260 T CB 1.680 70.529 68.868 -0.031 0.000 1.287 260 T HN 1.908 nan 8.240 nan 0.000 0.491 261 A N 1.935 124.759 122.820 0.007 0.000 2.449 261 A HA 0.823 5.106 4.320 -0.062 0.000 0.302 261 A C -1.100 176.516 177.584 0.052 0.000 1.048 261 A CA -0.967 51.083 52.037 0.021 0.000 0.708 261 A CB 1.684 20.684 19.000 -0.000 0.000 1.274 261 A HN 1.312 nan 8.150 nan 0.000 0.410 262 L N 2.695 123.956 121.223 0.064 0.000 2.275 262 L HA 0.742 5.045 4.340 -0.062 0.000 0.288 262 L C -1.488 175.442 176.870 0.100 0.000 1.046 262 L CA -0.566 54.329 54.840 0.092 0.000 0.805 262 L CB 0.670 42.786 42.059 0.095 0.000 1.193 262 L HN 0.631 nan 8.230 nan 0.000 0.426 263 L N 6.266 127.563 121.223 0.122 0.000 2.342 263 L HA 0.419 4.722 4.340 -0.062 0.000 0.276 263 L C -1.335 175.649 176.870 0.190 0.000 0.997 263 L CA -0.642 54.271 54.840 0.122 0.000 0.838 263 L CB 1.360 43.469 42.059 0.084 0.000 1.224 263 L HN 0.554 nan 8.230 nan 0.000 0.416 264 Y N 2.518 122.859 120.300 0.068 0.000 2.409 264 Y HA 0.665 5.177 4.550 -0.063 0.000 0.343 264 Y C -0.687 175.265 175.900 0.086 0.000 0.973 264 Y CA -0.680 57.468 58.100 0.080 0.000 1.064 264 Y CB 2.176 40.690 38.460 0.090 0.000 1.207 264 Y HN 0.497 nan 8.280 nan 0.000 0.452 265 S N 3.108 118.348 115.700 -0.766 0.000 2.547 265 S HA 0.867 5.300 4.470 -0.062 0.000 0.281 265 S C -0.657 173.386 174.600 -0.929 0.000 1.118 265 S CA -0.460 57.338 58.200 -0.670 0.000 0.947 265 S CB 1.779 64.790 63.200 -0.315 0.000 1.053 265 S HN 1.084 nan 8.310 nan 0.000 0.482 266 G N 0.892 109.158 108.800 -0.890 0.000 2.659 266 G HA2 0.685 4.607 3.960 -0.062 0.000 0.296 266 G HA3 0.685 4.607 3.960 -0.062 0.000 0.296 266 G C -1.396 173.062 174.900 -0.736 0.000 1.369 266 G CA -0.500 44.182 45.100 -0.698 0.000 0.937 266 G HN 0.556 nan 8.290 nan 0.000 0.485 267 T N 1.270 115.609 114.554 -0.358 0.000 2.886 267 T HA 0.737 5.050 4.350 -0.062 0.000 0.292 267 T C -0.648 173.997 174.700 -0.092 0.000 1.012 267 T CA -0.723 61.238 62.100 -0.231 0.000 0.982 267 T CB 1.730 70.506 68.868 -0.154 0.000 1.018 267 T HN 0.413 nan 8.240 nan 0.000 0.451 268 R N 1.218 121.697 120.500 -0.035 0.000 2.604 268 R HA 0.819 5.122 4.340 -0.062 0.000 0.281 268 R C 0.020 176.327 176.300 0.012 0.000 1.020 268 R CA -0.565 55.546 56.100 0.018 0.000 0.899 268 R CB 1.832 32.180 30.300 0.079 0.000 1.205 268 R HN 1.096 nan 8.270 nan 0.000 0.450 269 G N 0.498 109.301 108.800 0.006 0.000 2.331 269 G HA2 -0.046 3.877 3.960 -0.062 0.000 0.402 269 G HA3 -0.046 3.877 3.960 -0.062 0.000 0.402 269 G C -1.345 173.548 174.900 -0.012 0.000 1.275 269 G CA -0.792 44.310 45.100 0.004 0.000 1.003 269 G HN 0.474 nan 8.290 nan 0.000 0.500 270 S N 0.029 115.723 115.700 -0.010 0.000 2.638 270 S HA 0.749 5.181 4.470 -0.062 0.000 0.302 270 S C 0.016 174.597 174.600 -0.032 0.000 1.096 270 S CA 0.045 58.226 58.200 -0.032 0.000 0.953 270 S CB 1.840 65.027 63.200 -0.023 0.000 1.107 270 S HN 1.045 nan 8.310 nan 0.000 0.503 271 D N -0.058 120.282 120.400 -0.099 0.000 2.440 271 D HA 0.189 4.792 4.640 -0.062 0.000 0.282 271 D C 1.019 177.313 176.300 -0.010 0.000 1.189 271 D CA -0.521 53.419 54.000 -0.100 0.000 1.105 271 D CB -0.418 40.129 40.800 -0.421 0.000 1.173 271 D HN 0.695 nan 8.370 nan 0.000 0.577 272 W N -1.298 120.025 121.300 0.039 0.000 3.047 272 W HA 0.339 4.967 4.660 -0.054 0.000 0.250 272 W C 0.200 176.795 176.519 0.128 0.000 1.314 272 W CA -0.616 56.737 57.345 0.013 0.000 1.540 272 W CB 0.015 29.496 29.460 0.035 0.000 1.127 272 W HN -0.246 nan 8.180 nan 0.000 0.679 273 R N 2.099 122.496 120.500 -0.170 0.000 2.540 273 R HA 0.222 4.525 4.340 -0.062 0.000 0.287 273 R C 0.403 176.718 176.300 0.025 0.000 0.980 273 R CA -0.718 55.376 56.100 -0.009 0.000 0.966 273 R CB 0.876 31.079 30.300 -0.163 0.000 1.106 273 R HN 0.028 nan 8.270 nan 0.000 0.480 274 E N 0.672 120.933 120.200 0.102 0.000 2.392 274 E HA 0.009 4.322 4.350 -0.062 0.000 0.256 274 E C 0.033 176.709 176.600 0.127 0.000 1.145 274 E CA -0.128 56.330 56.400 0.097 0.000 0.929 274 E CB 0.201 29.964 29.700 0.106 0.000 0.998 274 E HN 0.549 nan 8.360 nan 0.000 0.442 275 H N -0.271 118.797 119.070 -0.004 0.000 2.748 275 H HA -0.186 4.338 4.556 -0.054 0.000 0.322 275 H C -0.091 175.238 175.328 0.002 0.000 1.208 275 H CA 0.825 56.873 56.048 0.000 0.000 1.151 275 H CB -1.362 28.398 29.762 -0.004 0.000 1.505 275 H HN 0.341 nan 8.280 nan 0.000 0.429 276 S N -1.083 114.562 115.700 -0.093 0.000 2.847 276 S HA 0.569 5.002 4.470 -0.062 0.000 0.254 276 S C 0.891 175.434 174.600 -0.095 0.000 1.039 276 S CA -0.074 58.056 58.200 -0.116 0.000 1.113 276 S CB 0.412 63.535 63.200 -0.128 0.000 1.092 276 S HN 0.837 nan 8.310 nan 0.000 0.620 277 A N 1.845 124.612 122.820 -0.088 0.000 2.573 277 A HA 0.468 4.750 4.320 -0.062 0.000 0.250 277 A C 0.348 177.906 177.584 -0.044 0.000 1.049 277 A CA 0.560 52.567 52.037 -0.051 0.000 0.767 277 A CB -0.348 18.631 19.000 -0.035 0.000 0.965 277 A HN 0.445 nan 8.150 nan 0.000 0.514 278 T N 2.566 117.105 114.554 -0.026 0.000 2.900 278 T HA 0.696 5.009 4.350 -0.062 0.000 0.295 278 T C -0.276 174.418 174.700 -0.012 0.000 1.044 278 T CA -0.630 61.462 62.100 -0.014 0.000 0.995 278 T CB 1.499 70.360 68.868 -0.013 0.000 1.072 278 T HN 0.778 nan 8.240 nan 0.000 0.473 279 R N 2.200 122.693 120.500 -0.012 0.000 2.533 279 R HA 0.701 5.003 4.340 -0.062 0.000 0.288 279 R C -1.856 174.411 176.300 -0.054 0.000 1.039 279 R CA -0.576 55.512 56.100 -0.020 0.000 0.909 279 R CB 0.920 31.214 30.300 -0.011 0.000 1.195 279 R HN 0.652 nan 8.270 nan 0.000 0.438 280 I N 3.375 123.888 120.570 -0.094 0.000 2.569 280 I HA 0.333 4.465 4.170 -0.062 0.000 0.290 280 I C -1.086 174.907 176.117 -0.207 0.000 1.088 280 I CA -0.864 60.310 61.300 -0.210 0.000 1.047 280 I CB 2.479 40.352 38.000 -0.212 0.000 1.237 280 I HN 0.492 nan 8.210 nan 0.000 0.421 281 D N 5.009 125.250 120.400 -0.266 0.000 2.593 281 D HA 0.256 4.859 4.640 -0.062 0.000 0.251 281 D C -1.329 174.846 176.300 -0.208 0.000 1.140 281 D CA -0.190 53.785 54.000 -0.040 0.000 0.855 281 D CB 2.791 43.677 40.800 0.142 0.000 1.267 281 D HN 0.392 nan 8.370 nan 0.000 0.532 282 D N 3.032 123.370 120.400 -0.103 0.000 2.420 282 D HA 0.233 4.836 4.640 -0.062 0.000 0.255 282 D C -1.296 175.113 176.300 0.181 0.000 1.185 282 D CA -0.592 53.398 54.000 -0.018 0.000 0.904 282 D CB 0.771 41.578 40.800 0.011 0.000 1.102 282 D HN 0.112 nan 8.370 nan 0.000 0.534 283 L N 4.183 125.576 121.223 0.285 0.000 2.296 283 L HA 0.613 4.916 4.340 -0.062 0.000 0.286 283 L C -1.044 175.971 176.870 0.241 0.000 1.023 283 L CA -0.167 54.874 54.840 0.335 0.000 0.812 283 L CB 1.087 43.338 42.059 0.319 0.000 1.223 283 L HN 0.353 nan 8.230 nan 0.000 0.421 284 M N 5.753 125.473 119.600 0.199 0.000 2.518 284 M HA 0.480 4.922 4.480 -0.062 0.000 0.300 284 M C -1.578 174.804 176.300 0.137 0.000 1.175 284 M CA -0.793 54.602 55.300 0.157 0.000 0.890 284 M CB 2.457 35.132 32.600 0.124 0.000 1.710 284 M HN 0.465 nan 8.290 nan 0.000 0.453 285 L N 2.708 124.007 121.223 0.127 0.000 2.372 285 L HA 0.514 4.816 4.340 -0.062 0.000 0.273 285 L C -0.977 175.955 176.870 0.103 0.000 0.989 285 L CA -0.080 54.828 54.840 0.113 0.000 0.841 285 L CB 1.196 43.327 42.059 0.120 0.000 1.225 285 L HN 0.639 nan 8.230 nan 0.000 0.414 286 K N 3.278 123.726 120.400 0.079 0.000 2.235 286 K HA 0.754 5.037 4.320 -0.062 0.000 0.266 286 K C -1.063 175.556 176.600 0.031 0.000 0.980 286 K CA -0.303 56.022 56.287 0.063 0.000 0.849 286 K CB 1.166 33.695 32.500 0.048 0.000 1.098 286 K HN 0.682 nan 8.250 nan 0.000 0.445 287 S N 2.847 118.570 115.700 0.038 0.000 2.570 287 S HA 0.494 4.927 4.470 -0.062 0.000 0.286 287 S C -1.476 173.116 174.600 -0.013 0.000 1.099 287 S CA -0.868 57.306 58.200 -0.043 0.000 0.913 287 S CB 1.863 65.089 63.200 0.043 0.000 1.085 287 S HN 0.614 nan 8.310 nan 0.000 0.480 288 K N 1.266 121.591 120.400 -0.126 0.000 2.525 288 K HA 0.464 4.747 4.320 -0.062 0.000 0.254 288 K C -2.388 174.284 176.600 0.119 0.000 0.934 288 K CA -0.590 55.720 56.287 0.039 0.000 0.802 288 K CB 1.541 34.051 32.500 0.016 0.000 1.295 288 K HN 0.650 nan 8.250 nan 0.000 0.433 289 Y N 2.343 122.764 120.300 0.203 0.000 2.327 289 Y HA 0.579 5.091 4.550 -0.062 0.000 0.325 289 Y C -1.476 174.647 175.900 0.372 0.000 0.999 289 Y CA -0.898 57.402 58.100 0.334 0.000 1.195 289 Y CB 1.826 40.565 38.460 0.464 0.000 1.132 289 Y HN 0.619 nan 8.280 nan 0.000 0.455 290 A N 8.973 131.771 122.820 -0.037 0.000 3.064 290 A HA 0.423 4.706 4.320 -0.062 0.000 0.339 290 A C -2.009 175.447 177.584 -0.212 0.000 1.078 290 A CA -1.290 50.697 52.037 -0.082 0.000 0.869 290 A CB 0.074 19.078 19.000 0.006 0.000 1.067 290 A HN 0.597 nan 8.150 nan 0.000 0.480 291 P HA -0.119 nan 4.420 nan 0.000 0.221 291 P C -0.131 177.152 177.300 -0.029 0.000 1.145 291 P CA 1.819 64.753 63.100 -0.277 0.000 0.795 291 P CB 0.071 31.606 31.700 -0.276 0.000 0.775 292 D N -2.628 117.775 120.400 0.004 0.000 2.838 292 D HA 0.120 4.723 4.640 -0.062 0.000 0.334 292 D C 0.249 176.545 176.300 -0.007 0.000 1.315 292 D CA -0.733 53.284 54.000 0.028 0.000 0.917 292 D CB -0.130 40.715 40.800 0.074 0.000 1.435 292 D HN -0.246 nan 8.370 nan 0.000 0.517 293 E N -0.860 119.323 120.200 -0.029 0.000 2.489 293 E HA 0.132 4.445 4.350 -0.062 0.000 0.193 293 E C 0.854 177.375 176.600 -0.131 0.000 1.057 293 E CA 0.118 56.481 56.400 -0.062 0.000 0.866 293 E CB 0.596 30.265 29.700 -0.050 0.000 0.916 293 E HN 0.249 nan 8.360 nan 0.000 0.500 294 V N 0.181 119.980 119.914 -0.191 0.000 2.908 294 V HA 0.005 4.087 4.120 -0.062 0.000 0.240 294 V C 0.617 176.441 176.094 -0.450 0.000 1.117 294 V CA 0.547 62.605 62.300 -0.402 0.000 1.133 294 V CB 0.154 31.652 31.823 -0.541 0.000 0.857 294 V HN 0.226 nan 8.190 nan 0.000 0.478 295 H N 1.501 120.609 119.070 0.063 0.000 2.457 295 H HA 0.626 5.145 4.556 -0.062 0.000 0.335 295 H C -0.305 175.016 175.328 -0.013 0.000 1.115 295 H CA 0.183 56.281 56.048 0.083 0.000 1.219 295 H CB 1.655 31.626 29.762 0.348 0.000 1.471 295 H HN 0.347 nan 8.280 nan 0.000 0.491 296 T N 0.566 115.066 114.554 -0.091 0.000 2.991 296 T HA 0.541 4.854 4.350 -0.062 0.000 0.303 296 T C -0.811 173.829 174.700 -0.099 0.000 1.015 296 T CA -0.752 61.335 62.100 -0.022 0.000 1.007 296 T CB 0.563 69.394 68.868 -0.062 0.000 1.034 296 T HN 0.159 nan 8.240 nan 0.000 0.446 297 F N 3.017 123.124 119.950 0.261 0.000 2.492 297 F HA 0.669 5.159 4.527 -0.062 0.000 0.327 297 F C 0.655 176.598 175.800 0.239 0.000 1.079 297 F CA -0.761 57.434 58.000 0.326 0.000 0.967 297 F CB 1.945 41.202 39.000 0.428 0.000 1.169 297 F HN 0.830 nan 8.300 nan 0.000 0.472 298 N N 0.290 119.210 118.700 0.367 0.000 2.284 298 N HA 0.692 5.395 4.740 -0.062 0.000 0.289 298 N C -1.695 173.961 175.510 0.244 0.000 1.179 298 N CA -0.695 52.501 53.050 0.244 0.000 0.774 298 N CB 2.323 40.897 38.487 0.145 0.000 1.548 298 N HN 0.589 nan 8.380 nan 0.000 0.473 299 S N -0.032 115.783 115.700 0.192 0.000 2.570 299 S HA 0.706 5.139 4.470 -0.062 0.000 0.270 299 S C -1.558 173.128 174.600 0.144 0.000 1.149 299 S CA -0.837 57.475 58.200 0.186 0.000 0.837 299 S CB 1.794 65.117 63.200 0.206 0.000 1.124 299 S HN 0.592 nan 8.310 nan 0.000 0.465 300 L N 1.515 122.825 121.223 0.146 0.000 2.516 300 L HA 0.688 4.991 4.340 -0.062 0.000 0.267 300 L C -1.946 175.011 176.870 0.144 0.000 0.957 300 L CA -0.501 54.414 54.840 0.125 0.000 0.860 300 L CB 1.482 43.601 42.059 0.101 0.000 1.265 300 L HN 0.918 nan 8.230 nan 0.000 0.403 301 L N 4.379 125.688 121.223 0.143 0.000 2.346 301 L HA 0.731 5.034 4.340 -0.062 0.000 0.274 301 L C -0.716 176.251 176.870 0.162 0.000 1.007 301 L CA -0.508 54.428 54.840 0.160 0.000 0.818 301 L CB 2.027 44.180 42.059 0.156 0.000 1.284 301 L HN 0.690 nan 8.230 nan 0.000 0.424 302 Q N 2.113 122.023 119.800 0.183 0.000 2.320 302 Q HA 0.325 4.627 4.340 -0.062 0.000 0.272 302 Q C -2.202 173.959 176.000 0.268 0.000 1.023 302 Q CA -0.717 55.205 55.803 0.198 0.000 0.855 302 Q CB 2.848 31.674 28.738 0.147 0.000 1.367 302 Q HN 0.564 nan 8.270 nan 0.000 0.406 303 Y N 3.921 124.307 120.300 0.144 0.000 2.332 303 Y HA 0.447 4.959 4.550 -0.062 0.000 0.326 303 Y C -2.272 173.735 175.900 0.179 0.000 0.978 303 Y CA -0.767 57.419 58.100 0.143 0.000 1.205 303 Y CB 1.105 39.630 38.460 0.108 0.000 1.131 303 Y HN 0.678 nan 8.280 nan 0.000 0.462 304 Y N 5.422 125.488 120.300 -0.390 0.000 2.352 304 Y HA 0.557 5.069 4.550 -0.063 0.000 0.339 304 Y C -1.362 174.251 175.900 -0.478 0.000 0.992 304 Y CA -0.797 57.120 58.100 -0.305 0.000 1.100 304 Y CB 1.432 39.803 38.460 -0.149 0.000 1.192 304 Y HN 0.750 nan 8.280 nan 0.000 0.458 305 D N 3.732 123.727 120.400 -0.676 0.000 2.890 305 D HA 0.640 5.242 4.640 -0.062 0.000 0.233 305 D C -0.916 175.163 176.300 -0.368 0.000 1.306 305 D CA -0.243 53.509 54.000 -0.414 0.000 0.929 305 D CB 1.461 42.059 40.800 -0.336 0.000 1.512 305 D HN 0.887 nan 8.370 nan 0.000 0.568 306 G N 2.067 110.775 108.800 -0.153 0.000 2.684 306 G HA2 0.666 4.589 3.960 -0.062 0.000 0.290 306 G HA3 0.666 4.589 3.960 -0.062 0.000 0.290 306 G C -1.617 173.325 174.900 0.070 0.000 1.425 306 G CA -0.888 44.168 45.100 -0.074 0.000 0.822 306 G HN 0.522 nan 8.290 nan 0.000 0.482 307 E N -1.376 118.863 120.200 0.065 0.000 2.372 307 E HA 0.696 5.009 4.350 -0.062 0.000 0.279 307 E C -1.204 175.442 176.600 0.076 0.000 0.946 307 E CA -1.287 55.181 56.400 0.115 0.000 0.769 307 E CB 2.297 32.023 29.700 0.044 0.000 1.230 307 E HN 1.400 nan 8.360 nan 0.000 0.442 308 A N 2.261 125.135 122.820 0.089 0.000 2.555 308 A HA 0.429 4.712 4.320 -0.062 0.000 0.297 308 A C -1.508 176.082 177.584 0.009 0.000 1.060 308 A CA -0.911 51.144 52.037 0.029 0.000 0.710 308 A CB 1.453 20.474 19.000 0.034 0.000 1.282 308 A HN 0.588 nan 8.150 nan 0.000 0.399 309 D N 1.363 121.707 120.400 -0.094 0.000 2.362 309 D HA 0.487 5.089 4.640 -0.062 0.000 0.242 309 D C -0.092 176.096 176.300 -0.186 0.000 1.132 309 D CA 0.572 54.395 54.000 -0.294 0.000 0.907 309 D CB 0.832 41.176 40.800 -0.760 0.000 1.195 309 D HN 0.511 nan 8.370 nan 0.000 0.429 310 M N 2.265 121.813 119.600 -0.087 0.000 2.125 310 M HA 0.217 4.660 4.480 -0.062 0.000 0.321 310 M C -1.829 174.597 176.300 0.210 0.000 0.983 310 M CA -1.782 53.589 55.300 0.119 0.000 0.934 310 M CB 2.430 35.164 32.600 0.224 0.000 1.542 310 M HN 0.014 nan 8.290 nan 0.000 0.424 311 P HA -0.078 nan 4.420 nan 0.000 0.214 311 P C 0.633 177.972 177.300 0.066 0.000 1.163 311 P CA 1.448 64.621 63.100 0.123 0.000 0.883 311 P CB 0.133 31.847 31.700 0.023 0.000 0.788 312 G N -1.662 107.184 108.800 0.077 0.000 2.828 312 G HA2 0.103 4.026 3.960 -0.062 0.000 0.463 312 G HA3 0.103 4.026 3.960 -0.062 0.000 0.463 312 G C 0.183 174.651 174.900 -0.720 0.000 1.394 312 G CA -0.742 44.332 45.100 -0.044 0.000 0.862 312 G HN 0.464 nan 8.290 nan 0.000 0.540 313 G N -1.274 107.145 108.800 -0.635 0.000 2.477 313 G HA2 0.688 4.610 3.960 -0.062 0.000 0.304 313 G HA3 0.688 4.610 3.960 -0.062 0.000 0.304 313 G C -0.056 174.667 174.900 -0.296 0.000 1.175 313 G CA -0.727 43.936 45.100 -0.728 0.000 0.907 313 G HN 0.889 nan 8.290 nan 0.000 0.509 314 L N 0.591 121.686 121.223 -0.213 0.000 2.333 314 L HA 0.440 4.743 4.340 -0.062 0.000 0.269 314 L C 0.916 177.746 176.870 -0.066 0.000 1.010 314 L CA -0.927 53.859 54.840 -0.089 0.000 0.818 314 L CB 2.158 44.215 42.059 -0.003 0.000 1.306 314 L HN 0.711 nan 8.230 nan 0.000 0.430 315 S N 0.616 116.293 115.700 -0.038 0.000 2.608 315 S HA 0.149 4.581 4.470 -0.062 0.000 0.261 315 S C 0.830 175.407 174.600 -0.038 0.000 1.314 315 S CA -0.464 57.715 58.200 -0.035 0.000 0.992 315 S CB 1.309 64.498 63.200 -0.019 0.000 0.935 315 S HN 0.697 nan 8.310 nan 0.000 0.564 316 R N 1.101 121.568 120.500 -0.054 0.000 2.081 316 R HA 0.011 4.314 4.340 -0.062 0.000 0.235 316 R C 2.255 178.561 176.300 0.009 0.000 1.131 316 R CA 2.026 58.092 56.100 -0.056 0.000 0.960 316 R CB -1.572 28.687 30.300 -0.069 0.000 0.856 316 R HN 0.809 nan 8.270 nan 0.000 0.436 317 A N 0.799 123.619 122.820 -0.001 0.000 1.883 317 A HA -0.175 4.108 4.320 -0.062 0.000 0.217 317 A C 1.808 179.392 177.584 0.000 0.000 1.186 317 A CA 1.975 54.013 52.037 0.001 0.000 0.624 317 A CB -0.768 18.230 19.000 -0.004 0.000 0.822 317 A HN 0.448 nan 8.150 nan 0.000 0.444 318 D N -1.898 118.502 120.400 -0.000 0.000 2.144 318 D HA -0.139 4.464 4.640 -0.062 0.000 0.200 318 D C 1.688 177.975 176.300 -0.021 0.000 0.978 318 D CA 1.458 55.449 54.000 -0.015 0.000 0.833 318 D CB -0.446 40.342 40.800 -0.020 0.000 0.961 318 D HN 0.619 nan 8.370 nan 0.000 0.470 319 Y N 1.794 122.011 120.300 -0.138 0.000 2.181 319 Y HA -0.196 4.316 4.550 -0.064 0.000 0.288 319 Y C 1.675 177.465 175.900 -0.182 0.000 1.146 319 Y CA 1.587 59.576 58.100 -0.185 0.000 1.164 319 Y CB 0.033 38.367 38.460 -0.210 0.000 0.982 319 Y HN -0.167 nan 8.280 nan 0.000 0.515 320 D N -0.079 120.324 120.400 0.006 0.000 2.178 320 D HA -0.132 4.471 4.640 -0.062 0.000 0.202 320 D C 2.211 178.435 176.300 -0.128 0.000 0.974 320 D CA 1.317 55.276 54.000 -0.067 0.000 0.841 320 D CB -0.453 40.348 40.800 0.002 0.000 0.953 320 D HN 0.486 nan 8.370 nan 0.000 0.478 321 A N -0.238 122.521 122.820 -0.102 0.000 1.897 321 A HA -0.058 4.225 4.320 -0.062 0.000 0.215 321 A C 0.700 178.202 177.584 -0.136 0.000 1.181 321 A CA 1.181 53.164 52.037 -0.090 0.000 0.620 321 A CB 0.254 19.221 19.000 -0.055 0.000 0.821 321 A HN 0.140 nan 8.150 nan 0.000 0.443 322 D N -2.097 118.176 120.400 -0.212 0.000 2.369 322 D HA 0.118 4.721 4.640 -0.062 0.000 0.212 322 D C 0.542 176.572 176.300 -0.450 0.000 1.326 322 D CA -0.369 53.467 54.000 -0.273 0.000 0.933 322 D CB 0.503 41.245 40.800 -0.097 0.000 1.516 322 D HN 0.306 nan 8.370 nan 0.000 0.557 323 R N 1.971 121.946 120.500 -0.874 0.000 2.299 323 R HA 0.129 4.432 4.340 -0.062 0.000 0.197 323 R C 0.654 176.580 176.300 -0.623 0.000 0.971 323 R CA 0.148 55.652 56.100 -0.993 0.000 1.030 323 R CB -0.124 29.165 30.300 -1.685 0.000 0.932 323 R HN 0.361 nan 8.270 nan 0.000 0.477 324 W N 2.710 123.981 121.300 -0.047 0.000 2.640 324 W HA 0.045 4.661 4.660 -0.074 0.000 0.268 324 W C 0.942 177.464 176.519 0.006 0.000 1.263 324 W CA -0.660 56.705 57.345 0.033 0.000 1.344 324 W CB 0.058 29.543 29.460 0.042 0.000 1.093 324 W HN 0.145 nan 8.180 nan 0.000 0.603 325 Q N 1.410 121.285 119.800 0.125 0.000 2.584 325 Q HA 0.167 4.470 4.340 -0.062 0.000 0.235 325 Q C 0.009 176.023 176.000 0.023 0.000 1.079 325 Q CA 0.191 56.034 55.803 0.067 0.000 0.977 325 Q CB 1.091 29.836 28.738 0.012 0.000 1.293 325 Q HN -0.110 nan 8.270 nan 0.000 0.553 326 S N -0.382 115.319 115.700 0.001 0.000 2.500 326 S HA 0.372 4.805 4.470 -0.062 0.000 0.301 326 S C -0.237 174.313 174.600 -0.084 0.000 1.092 326 S CA -0.238 57.943 58.200 -0.032 0.000 1.030 326 S CB 1.506 64.714 63.200 0.014 0.000 1.031 326 S HN 0.722 nan 8.310 nan 0.000 0.483 327 T N 1.725 116.226 114.554 -0.089 0.000 3.215 327 T HA 0.419 4.731 4.350 -0.062 0.000 0.271 327 T C 0.112 174.749 174.700 -0.105 0.000 1.012 327 T CA -0.544 61.499 62.100 -0.096 0.000 0.899 327 T CB -0.077 68.754 68.868 -0.062 0.000 1.089 327 T HN 0.416 nan 8.240 nan 0.000 0.552 328 R N 2.036 122.457 120.500 -0.132 0.000 2.835 328 R HA 0.274 4.577 4.340 -0.062 0.000 0.290 328 R C -2.239 173.892 176.300 -0.282 0.000 1.410 328 R CA -1.839 54.206 56.100 -0.092 0.000 1.590 328 R CB 0.851 31.171 30.300 0.034 0.000 1.288 328 R HN 0.258 nan 8.270 nan 0.000 0.637 329 P HA -0.132 nan 4.420 nan 0.000 0.225 329 P C 0.408 177.373 177.300 -0.560 0.000 1.148 329 P CA 1.174 63.790 63.100 -0.806 0.000 0.779 329 P CB 0.223 31.483 31.700 -0.732 0.000 0.780 330 Y N -0.249 120.037 120.300 -0.022 0.000 2.497 330 Y HA 0.156 4.707 4.550 0.001 0.000 0.265 330 Y C 0.752 176.812 175.900 0.266 0.000 1.111 330 Y CA -0.566 57.585 58.100 0.085 0.000 1.288 330 Y CB -0.926 37.556 38.460 0.036 0.000 1.082 330 Y HN -0.117 nan 8.280 nan 0.000 0.536 331 D N 2.039 122.692 120.400 0.422 0.000 2.382 331 D HA 0.198 4.801 4.640 -0.062 0.000 0.259 331 D C 0.175 176.733 176.300 0.430 0.000 1.224 331 D CA 0.428 54.678 54.000 0.416 0.000 0.894 331 D CB 0.521 41.515 40.800 0.323 0.000 1.127 331 D HN 0.182 nan 8.370 nan 0.000 0.487 332 R N 2.085 122.825 120.500 0.400 0.000 2.707 332 R HA 0.574 4.876 4.340 -0.062 0.000 0.272 332 R C -1.925 174.524 176.300 0.247 0.000 1.011 332 R CA -0.789 55.522 56.100 0.350 0.000 0.893 332 R CB 1.412 32.031 30.300 0.532 0.000 1.233 332 R HN 0.317 nan 8.270 nan 0.000 0.464 333 F N 3.323 123.262 119.950 -0.019 0.000 2.588 333 F HA 0.747 5.233 4.527 -0.067 0.000 0.314 333 F C -1.727 174.053 175.800 -0.035 0.000 1.069 333 F CA -0.282 57.549 58.000 -0.282 0.000 0.931 333 F CB 1.490 40.118 39.000 -0.621 0.000 1.260 333 F HN 0.649 nan 8.300 nan 0.000 0.465 334 W N 3.115 123.921 121.300 -0.823 0.000 3.066 334 W HA 0.871 5.489 4.660 -0.070 0.000 0.330 334 W C -1.128 175.071 176.519 -0.532 0.000 1.253 334 W CA -1.386 55.691 57.345 -0.446 0.000 1.187 334 W CB 1.042 30.327 29.460 -0.292 0.000 1.434 334 W HN 0.865 nan 8.180 nan 0.000 0.572 335 G N 0.933 109.762 108.800 0.048 0.000 2.466 335 G HA2 0.667 4.589 3.960 -0.062 0.000 0.291 335 G HA3 0.667 4.589 3.960 -0.062 0.000 0.291 335 G C -1.942 173.025 174.900 0.112 0.000 1.460 335 G CA -1.227 43.876 45.100 0.005 0.000 0.791 335 G HN 1.050 nan 8.290 nan 0.000 0.505 336 R N -0.986 119.553 120.500 0.064 0.000 2.707 336 R HA 0.872 5.175 4.340 -0.062 0.000 0.272 336 R C -1.099 175.215 176.300 0.024 0.000 1.011 336 R CA -1.234 54.889 56.100 0.038 0.000 0.893 336 R CB 2.333 32.623 30.300 -0.017 0.000 1.233 336 R HN 0.682 nan 8.270 nan 0.000 0.464 337 R N 1.493 122.002 120.500 0.016 0.000 2.621 337 R HA 0.444 4.747 4.340 -0.062 0.000 0.284 337 R C -1.495 174.841 176.300 0.060 0.000 0.998 337 R CA -0.654 55.454 56.100 0.014 0.000 0.895 337 R CB 2.145 32.435 30.300 -0.017 0.000 1.195 337 R HN 0.722 nan 8.270 nan 0.000 0.450 338 K N 4.209 124.664 120.400 0.093 0.000 2.376 338 K HA 0.476 4.758 4.320 -0.062 0.000 0.257 338 K C -1.412 175.252 176.600 0.108 0.000 0.939 338 K CA -0.795 55.605 56.287 0.188 0.000 0.809 338 K CB 2.002 34.653 32.500 0.252 0.000 1.121 338 K HN 0.552 nan 8.250 nan 0.000 0.425 339 L N 1.521 122.833 121.223 0.148 0.000 2.401 339 L HA 0.805 5.108 4.340 -0.062 0.000 0.266 339 L C -1.697 175.296 176.870 0.204 0.000 0.991 339 L CA -0.472 54.450 54.840 0.137 0.000 0.818 339 L CB 1.908 44.025 42.059 0.096 0.000 1.321 339 L HN 0.782 nan 8.230 nan 0.000 0.413 340 A N 2.930 125.907 122.820 0.261 0.000 2.398 340 A HA 0.758 5.041 4.320 -0.062 0.000 0.301 340 A C -1.170 176.590 177.584 0.292 0.000 1.041 340 A CA -0.417 51.782 52.037 0.270 0.000 0.711 340 A CB 1.972 21.155 19.000 0.304 0.000 1.240 340 A HN 0.598 nan 8.150 nan 0.000 0.420 341 S N 1.109 116.957 115.700 0.247 0.000 2.547 341 S HA 0.750 5.182 4.470 -0.062 0.000 0.281 341 S C -1.760 172.977 174.600 0.228 0.000 1.118 341 S CA -0.411 57.945 58.200 0.260 0.000 0.947 341 S CB 1.184 64.508 63.200 0.208 0.000 1.053 341 S HN 1.469 nan 8.310 nan 0.000 0.482 342 L N 3.921 125.288 121.223 0.240 0.000 2.464 342 L HA 0.942 5.245 4.340 -0.062 0.000 0.266 342 L C -0.242 176.776 176.870 0.247 0.000 0.965 342 L CA 0.229 55.215 54.840 0.244 0.000 0.833 342 L CB 1.701 43.905 42.059 0.242 0.000 1.296 342 L HN 0.791 nan 8.230 nan 0.000 0.405 343 G N 2.438 111.392 108.800 0.256 0.000 2.642 343 G HA2 0.581 4.504 3.960 -0.062 0.000 0.293 343 G HA3 0.581 4.504 3.960 -0.062 0.000 0.293 343 G C -2.491 172.564 174.900 0.258 0.000 1.341 343 G CA -0.513 44.719 45.100 0.221 0.000 0.916 343 G HN 0.648 nan 8.290 nan 0.000 0.474 344 Y N 0.000 120.311 120.300 0.017 0.000 2.470 344 Y HA 0.686 5.199 4.550 -0.062 0.000 0.341 344 Y C -0.773 175.078 175.900 -0.081 0.000 1.021 344 Y CA -0.920 57.101 58.100 -0.131 0.000 1.025 344 Y CB 2.329 40.713 38.460 -0.126 0.000 1.266 344 Y HN 0.636 nan 8.280 nan 0.000 0.448 345 Q N 6.084 125.354 119.800 -0.885 0.000 2.337 345 Q HA 0.462 4.764 4.340 -0.062 0.000 0.270 345 Q C -2.282 173.252 176.000 -0.776 0.000 1.043 345 Q CA -0.890 54.521 55.803 -0.655 0.000 0.794 345 Q CB 1.675 30.227 28.738 -0.311 0.000 1.281 345 Q HN 0.693 nan 8.270 nan 0.000 0.446 346 F N 3.718 123.396 119.950 -0.453 0.000 2.403 346 F HA 0.364 4.854 4.527 -0.062 0.000 0.355 346 F C -1.114 174.696 175.800 0.017 0.000 1.119 346 F CA -0.352 57.573 58.000 -0.125 0.000 1.007 346 F CB 1.568 40.727 39.000 0.265 0.000 1.194 346 F HN 0.578 nan 8.300 nan 0.000 0.443 347 Q N 9.397 128.849 119.800 -0.579 0.000 2.464 347 Q HA 0.380 4.682 4.340 -0.062 0.000 0.256 347 Q C -2.249 173.381 176.000 -0.616 0.000 1.020 347 Q CA -2.005 53.523 55.803 -0.459 0.000 0.716 347 Q CB 1.851 30.449 28.738 -0.233 0.000 1.230 347 Q HN 0.415 nan 8.270 nan 0.000 0.494 348 P HA -0.101 nan 4.420 nan 0.000 0.216 348 P C -0.534 176.646 177.300 -0.200 0.000 1.153 348 P CA 1.264 64.077 63.100 -0.479 0.000 0.844 348 P CB 0.430 31.925 31.700 -0.341 0.000 0.787 349 D N -2.138 118.208 120.400 -0.089 0.000 2.798 349 D HA 0.166 4.769 4.640 -0.062 0.000 0.308 349 D C 0.557 176.863 176.300 0.009 0.000 1.187 349 D CA -0.530 53.466 54.000 -0.006 0.000 1.033 349 D CB -0.170 40.675 40.800 0.075 0.000 1.445 349 D HN -0.199 nan 8.370 nan 0.000 0.550 350 S N -1.582 114.125 115.700 0.012 0.000 2.607 350 S HA -0.046 4.387 4.470 -0.062 0.000 0.224 350 S C 0.749 175.335 174.600 -0.023 0.000 0.969 350 S CA 0.418 58.612 58.200 -0.011 0.000 0.927 350 S CB -0.342 62.851 63.200 -0.012 0.000 0.772 350 S HN 0.407 nan 8.310 nan 0.000 0.533 351 Q N 0.006 119.801 119.800 -0.009 0.000 2.217 351 Q HA 0.359 4.661 4.340 -0.062 0.000 0.217 351 Q C -0.797 174.975 176.000 -0.380 0.000 0.844 351 Q CA 0.240 55.943 55.803 -0.166 0.000 0.957 351 Q CB 0.634 29.253 28.738 -0.197 0.000 1.127 351 Q HN 0.742 nan 8.270 nan 0.000 0.503 352 H N -0.537 118.520 119.070 -0.022 0.000 2.759 352 H HA 0.585 5.103 4.556 -0.062 0.000 0.354 352 H C -1.181 174.117 175.328 -0.050 0.000 1.074 352 H CA -0.864 55.169 56.048 -0.025 0.000 1.226 352 H CB 1.596 31.443 29.762 0.141 0.000 1.648 352 H HN -0.178 nan 8.280 nan 0.000 0.529 353 K N 3.058 123.461 120.400 0.006 0.000 2.615 353 K HA 0.358 4.641 4.320 -0.062 0.000 0.249 353 K C -1.906 174.807 176.600 0.189 0.000 0.977 353 K CA -0.699 55.617 56.287 0.048 0.000 0.833 353 K CB 1.481 33.953 32.500 -0.047 0.000 1.208 353 K HN 0.394 nan 8.250 nan 0.000 0.443 354 F N 3.537 123.641 119.950 0.258 0.000 2.443 354 F HA 0.574 5.064 4.527 -0.062 0.000 0.335 354 F C -1.117 174.791 175.800 0.181 0.000 1.104 354 F CA -0.418 57.814 58.000 0.387 0.000 1.013 354 F CB 1.314 40.621 39.000 0.513 0.000 1.136 354 F HN 0.579 nan 8.300 nan 0.000 0.470 355 N N 5.891 124.087 118.700 -0.840 0.000 2.310 355 N HA 0.541 5.243 4.740 -0.062 0.000 0.292 355 N C -1.774 173.281 175.510 -0.758 0.000 1.049 355 N CA -0.531 52.130 53.050 -0.649 0.000 0.849 355 N CB 2.363 40.689 38.487 -0.268 0.000 1.532 355 N HN 0.690 nan 8.380 nan 0.000 0.479 356 I N 1.239 121.558 120.570 -0.418 0.000 2.533 356 I HA 0.452 4.585 4.170 -0.062 0.000 0.290 356 I C -1.504 174.649 176.117 0.060 0.000 1.056 356 I CA -0.522 60.714 61.300 -0.106 0.000 1.057 356 I CB 1.595 39.673 38.000 0.130 0.000 1.240 356 I HN 0.423 nan 8.210 nan 0.000 0.423 357 Q N 4.371 124.231 119.800 0.100 0.000 2.356 357 Q HA 0.752 5.055 4.340 -0.062 0.000 0.270 357 Q C -0.933 175.196 176.000 0.215 0.000 1.058 357 Q CA -0.580 55.317 55.803 0.156 0.000 0.802 357 Q CB 2.340 31.157 28.738 0.132 0.000 1.303 357 Q HN 0.799 nan 8.270 nan 0.000 0.444 358 G N 1.986 110.931 108.800 0.242 0.000 2.482 358 G HA2 0.765 4.687 3.960 -0.062 0.000 0.317 358 G HA3 0.765 4.687 3.960 -0.062 0.000 0.317 358 G C -1.578 173.520 174.900 0.330 0.000 1.241 358 G CA -0.599 44.641 45.100 0.233 0.000 0.967 358 G HN 0.560 nan 8.290 nan 0.000 0.482 359 F N 0.060 120.103 119.950 0.156 0.000 2.668 359 F HA 0.807 5.297 4.527 -0.062 0.000 0.309 359 F C -2.189 173.758 175.800 0.245 0.000 1.117 359 F CA -1.951 56.152 58.000 0.172 0.000 0.951 359 F CB 1.915 40.984 39.000 0.115 0.000 1.323 359 F HN 0.613 nan 8.300 nan 0.000 0.451 360 Y N 1.555 122.005 120.300 0.249 0.000 2.441 360 Y HA 0.643 5.156 4.550 -0.062 0.000 0.334 360 Y C -1.362 174.715 175.900 0.294 0.000 1.061 360 Y CA -0.437 57.764 58.100 0.168 0.000 1.032 360 Y CB 2.024 40.560 38.460 0.127 0.000 1.266 360 Y HN 1.031 nan 8.280 nan 0.000 0.441 361 T N 2.659 116.940 114.554 -0.454 0.000 2.900 361 T HA 0.621 4.934 4.350 -0.062 0.000 0.295 361 T C -1.228 173.083 174.700 -0.648 0.000 1.044 361 T CA -0.861 61.007 62.100 -0.387 0.000 0.995 361 T CB 2.067 70.910 68.868 -0.041 0.000 1.072 361 T HN 0.712 nan 8.240 nan 0.000 0.473 362 Q N 1.087 120.631 119.800 -0.426 0.000 2.323 362 Q HA 0.674 4.977 4.340 -0.062 0.000 0.271 362 Q C -1.541 174.338 176.000 -0.202 0.000 1.048 362 Q CA -0.282 55.316 55.803 -0.343 0.000 0.792 362 Q CB 2.117 30.783 28.738 -0.121 0.000 1.280 362 Q HN 0.845 nan 8.270 nan 0.000 0.441 363 T N 4.187 118.592 114.554 -0.247 0.000 2.916 363 T HA 0.488 4.801 4.350 -0.062 0.000 0.298 363 T C -1.591 172.987 174.700 -0.203 0.000 1.031 363 T CA -0.733 61.284 62.100 -0.139 0.000 0.993 363 T CB 1.171 70.016 68.868 -0.038 0.000 1.045 363 T HN 0.650 nan 8.240 nan 0.000 0.454 364 L N 4.362 125.491 121.223 -0.157 0.000 2.356 364 L HA 0.810 5.113 4.340 -0.062 0.000 0.277 364 L C -1.145 175.601 176.870 -0.208 0.000 0.996 364 L CA -0.778 53.947 54.840 -0.191 0.000 0.822 364 L CB 1.387 43.379 42.059 -0.112 0.000 1.256 364 L HN 0.905 nan 8.230 nan 0.000 0.413 365 R N 3.146 123.459 120.500 -0.311 0.000 2.538 365 R HA 0.791 5.094 4.340 -0.062 0.000 0.292 365 R C -1.258 174.668 176.300 -0.624 0.000 1.008 365 R CA -0.528 55.312 56.100 -0.434 0.000 0.896 365 R CB 1.872 32.025 30.300 -0.244 0.000 1.187 365 R HN 0.549 nan 8.270 nan 0.000 0.440 366 S N 0.884 115.902 115.700 -1.137 0.000 2.688 366 S HA 0.964 5.396 4.470 -0.062 0.000 0.275 366 S C -1.277 172.164 174.600 -1.931 0.000 1.175 366 S CA -0.190 57.268 58.200 -1.237 0.000 0.818 366 S CB 1.776 64.371 63.200 -1.008 0.000 1.157 366 S HN 1.288 nan 8.310 nan 0.000 0.482 367 G N 0.282 108.092 108.800 -1.650 0.000 2.328 367 G HA2 0.421 4.344 3.960 -0.062 0.000 0.299 367 G HA3 0.421 4.344 3.960 -0.062 0.000 0.299 367 G C -2.553 171.956 174.900 -0.651 0.000 1.435 367 G CA -0.718 43.450 45.100 -1.555 0.000 0.865 367 G HN 0.514 nan 8.290 nan 0.000 0.601 368 Y N -0.828 119.437 120.300 -0.057 0.000 2.352 368 Y HA 0.817 5.333 4.550 -0.056 0.000 0.326 368 Y C 0.297 176.278 175.900 0.135 0.000 1.166 368 Y CA -0.999 57.177 58.100 0.127 0.000 1.182 368 Y CB 1.974 40.593 38.460 0.264 0.000 1.216 368 Y HN 0.563 nan 8.280 nan 0.000 0.474 369 L N 2.210 123.617 121.223 0.307 0.000 2.543 369 L HA 0.361 4.664 4.340 -0.062 0.000 0.265 369 L C -0.839 176.147 176.870 0.193 0.000 0.945 369 L CA -0.733 54.245 54.840 0.231 0.000 0.869 369 L CB 2.051 44.208 42.059 0.164 0.000 1.294 369 L HN 0.712 nan 8.230 nan 0.000 0.405 370 E N 3.891 124.212 120.200 0.201 0.000 2.290 370 E HA 0.294 4.607 4.350 -0.062 0.000 0.277 370 E C -1.187 175.478 176.600 0.109 0.000 1.035 370 E CA -0.073 56.421 56.400 0.157 0.000 0.873 370 E CB 0.637 30.478 29.700 0.235 0.000 1.029 370 E HN 0.608 nan 8.360 nan 0.000 0.419 371 Q N 3.726 123.570 119.800 0.073 0.000 2.397 371 Q HA 0.329 4.632 4.340 -0.062 0.000 0.260 371 Q C 0.228 176.245 176.000 0.028 0.000 1.002 371 Q CA -0.235 55.598 55.803 0.050 0.000 0.716 371 Q CB 1.861 30.625 28.738 0.043 0.000 1.258 371 Q HN 0.952 nan 8.270 nan 0.000 0.477 372 G N 2.966 111.782 108.800 0.027 0.000 2.565 372 G HA2 -0.399 3.523 3.960 -0.062 0.000 0.295 372 G HA3 -0.399 3.523 3.960 -0.062 0.000 0.295 372 G C 0.316 175.228 174.900 0.019 0.000 1.165 372 G CA 0.363 45.472 45.100 0.016 0.000 0.977 372 G HN 0.569 nan 8.290 nan 0.000 0.546 373 K N 1.063 121.467 120.400 0.008 0.000 2.437 373 K HA 0.338 4.621 4.320 -0.062 0.000 0.198 373 K C 1.012 177.616 176.600 0.006 0.000 1.024 373 K CA 0.165 56.457 56.287 0.009 0.000 1.148 373 K CB 0.469 32.973 32.500 0.007 0.000 0.860 373 K HN 0.345 nan 8.250 nan 0.000 0.515 374 R N 0.214 120.719 120.500 0.009 0.000 2.888 374 R HA 0.538 4.841 4.340 -0.062 0.000 0.266 374 R C -0.886 175.420 176.300 0.011 0.000 1.020 374 R CA -0.681 55.435 56.100 0.026 0.000 0.963 374 R CB 1.815 32.148 30.300 0.054 0.000 1.197 374 R HN -0.050 nan 8.270 nan 0.000 0.481 375 I N 1.115 121.689 120.570 0.007 0.000 2.436 375 I HA 0.341 4.474 4.170 -0.062 0.000 0.289 375 I C -0.020 176.173 176.117 0.127 0.000 1.010 375 I CA -0.595 60.704 61.300 -0.002 0.000 1.098 375 I CB 2.189 40.071 38.000 -0.197 0.000 1.266 375 I HN 0.682 nan 8.210 nan 0.000 0.434 376 T N 3.677 118.338 114.554 0.177 0.000 2.950 376 T HA 0.747 5.060 4.350 -0.062 0.000 0.288 376 T C -0.800 174.061 174.700 0.269 0.000 1.035 376 T CA -0.799 61.439 62.100 0.230 0.000 1.028 376 T CB 2.210 71.184 68.868 0.177 0.000 1.109 376 T HN 0.329 nan 8.240 nan 0.000 0.514 377 L N 1.071 122.454 121.223 0.265 0.000 2.376 377 L HA 0.692 4.995 4.340 -0.062 0.000 0.275 377 L C -0.723 176.218 176.870 0.119 0.000 0.987 377 L CA -0.295 54.661 54.840 0.193 0.000 0.828 377 L CB 2.203 44.420 42.059 0.264 0.000 1.249 377 L HN 0.799 nan 8.230 nan 0.000 0.409 378 S N 6.072 121.731 115.700 -0.069 0.000 2.150 378 S HA 0.451 4.884 4.470 -0.062 0.000 0.171 378 S C -2.625 171.848 174.600 -0.211 0.000 1.620 378 S CA -0.900 57.242 58.200 -0.096 0.000 1.190 378 S CB 0.371 63.525 63.200 -0.076 0.000 1.102 378 S HN 0.514 nan 8.310 nan 0.000 0.464 379 P HA 0.338 nan 4.420 nan 0.000 0.276 379 P C -0.514 176.612 177.300 -0.290 0.000 1.243 379 P CA -0.275 62.684 63.100 -0.234 0.000 0.768 379 P CB 0.544 32.175 31.700 -0.115 0.000 0.856 380 R N 2.847 123.146 120.500 -0.336 0.000 2.532 380 R HA 0.455 4.758 4.340 -0.062 0.000 0.297 380 R C -0.453 175.501 176.300 -0.575 0.000 0.984 380 R CA -0.670 55.166 56.100 -0.440 0.000 0.884 380 R CB 2.059 32.193 30.300 -0.278 0.000 1.182 380 R HN 0.440 nan 8.270 nan 0.000 0.442 381 N N 2.215 120.455 118.700 -0.767 0.000 2.314 381 N HA 0.438 5.141 4.740 -0.062 0.000 0.304 381 N C -1.365 173.396 175.510 -1.248 0.000 1.073 381 N CA -0.347 52.213 53.050 -0.817 0.000 0.822 381 N CB 2.040 40.195 38.487 -0.553 0.000 1.280 381 N HN 0.375 nan 8.380 nan 0.000 0.489 382 Y N -0.201 119.579 120.300 -0.866 0.000 2.534 382 Y HA 0.486 4.998 4.550 -0.063 0.000 0.345 382 Y C -0.669 174.801 175.900 -0.716 0.000 1.031 382 Y CA -0.893 56.889 58.100 -0.530 0.000 1.022 382 Y CB 2.208 40.575 38.460 -0.154 0.000 1.292 382 Y HN 0.308 nan 8.280 nan 0.000 0.459 383 W N 2.536 123.979 121.300 0.239 0.000 2.781 383 W HA 0.688 5.312 4.660 -0.060 0.000 0.333 383 W C -1.722 174.901 176.519 0.174 0.000 1.047 383 W CA -0.953 56.496 57.345 0.173 0.000 1.236 383 W CB 2.103 31.709 29.460 0.242 0.000 1.394 383 W HN 0.200 nan 8.180 nan 0.000 0.466 384 V N 4.148 124.216 119.914 0.256 0.000 2.588 384 V HA 0.595 4.678 4.120 -0.062 0.000 0.304 384 V C -0.124 176.036 176.094 0.110 0.000 1.042 384 V CA -0.999 61.428 62.300 0.211 0.000 0.877 384 V CB 2.255 34.237 31.823 0.265 0.000 0.996 384 V HN 0.570 nan 8.190 nan 0.000 0.425 385 R N 2.658 123.129 120.500 -0.049 0.000 2.673 385 R HA 0.899 5.202 4.340 -0.062 0.000 0.281 385 R C -0.585 175.355 176.300 -0.600 0.000 0.991 385 R CA -0.654 55.298 56.100 -0.247 0.000 0.896 385 R CB 2.519 32.851 30.300 0.054 0.000 1.201 385 R HN 0.868 nan 8.270 nan 0.000 0.457 386 G N 2.143 110.320 108.800 -1.038 0.000 2.696 386 G HA2 0.603 4.525 3.960 -0.062 0.000 0.295 386 G HA3 0.603 4.525 3.960 -0.062 0.000 0.295 386 G C -1.790 172.961 174.900 -0.248 0.000 1.398 386 G CA -0.911 43.782 45.100 -0.677 0.000 0.920 386 G HN 0.621 nan 8.290 nan 0.000 0.492 387 I N 0.134 120.705 120.570 0.003 0.000 2.607 387 I HA 0.620 4.752 4.170 -0.062 0.000 0.290 387 I C -1.375 174.816 176.117 0.123 0.000 1.129 387 I CA -0.735 60.639 61.300 0.123 0.000 1.042 387 I CB 2.277 40.384 38.000 0.178 0.000 1.242 387 I HN 0.585 nan 8.210 nan 0.000 0.421 388 E N 9.546 129.835 120.200 0.147 0.000 2.373 388 E HA 0.485 4.797 4.350 -0.062 0.000 0.251 388 E C -2.796 173.878 176.600 0.122 0.000 0.923 388 E CA -1.907 54.561 56.400 0.112 0.000 0.798 388 E CB 1.779 31.537 29.700 0.096 0.000 1.303 388 E HN 0.250 nan 8.360 nan 0.000 0.412 389 P HA 0.355 nan 4.420 nan 0.000 0.288 389 P C -1.039 176.326 177.300 0.108 0.000 1.267 389 P CA -0.612 62.576 63.100 0.148 0.000 0.815 389 P CB 1.443 33.355 31.700 0.353 0.000 0.989 390 R N 1.518 122.006 120.500 -0.020 0.000 2.771 390 R HA 0.608 4.911 4.340 -0.062 0.000 0.274 390 R C -1.417 174.984 176.300 0.168 0.000 0.987 390 R CA -0.739 55.384 56.100 0.039 0.000 0.908 390 R CB 2.073 32.383 30.300 0.017 0.000 1.213 390 R HN 0.466 nan 8.270 nan 0.000 0.468 391 Y N -0.029 120.326 120.300 0.092 0.000 2.433 391 Y HA 0.481 4.993 4.550 -0.062 0.000 0.337 391 Y C -1.424 174.565 175.900 0.149 0.000 1.026 391 Y CA -0.451 57.769 58.100 0.200 0.000 1.037 391 Y CB 2.458 41.096 38.460 0.296 0.000 1.245 391 Y HN 0.559 nan 8.280 nan 0.000 0.443 392 S N 5.462 120.828 115.700 -0.556 0.000 2.538 392 S HA 0.626 5.059 4.470 -0.062 0.000 0.288 392 S C -1.666 172.576 174.600 -0.596 0.000 1.108 392 S CA -0.859 57.100 58.200 -0.401 0.000 0.971 392 S CB 1.764 64.864 63.200 -0.167 0.000 1.041 392 S HN 0.627 nan 8.310 nan 0.000 0.483 393 Q N 1.988 121.586 119.800 -0.337 0.000 2.340 393 Q HA 0.698 5.000 4.340 -0.062 0.000 0.276 393 Q C -1.359 174.543 176.000 -0.164 0.000 1.048 393 Q CA -0.984 54.660 55.803 -0.265 0.000 0.832 393 Q CB 1.412 30.111 28.738 -0.065 0.000 1.373 393 Q HN 0.740 nan 8.270 nan 0.000 0.409 394 I N -0.291 120.154 120.570 -0.210 0.000 2.474 394 I HA 0.865 4.998 4.170 -0.062 0.000 0.294 394 I C -1.186 174.862 176.117 -0.116 0.000 1.005 394 I CA -1.023 60.135 61.300 -0.236 0.000 1.113 394 I CB 1.143 39.039 38.000 -0.173 0.000 1.289 394 I HN 0.705 nan 8.210 nan 0.000 0.436 395 F N 3.495 123.441 119.950 -0.008 0.000 2.685 395 F HA 0.752 5.241 4.527 -0.062 0.000 0.315 395 F C -1.286 174.540 175.800 0.044 0.000 1.126 395 F CA -1.403 56.599 58.000 0.004 0.000 0.950 395 F CB 1.279 40.281 39.000 0.003 0.000 1.360 395 F HN 0.237 nan 8.300 nan 0.000 0.469 396 M N 2.488 122.269 119.600 0.301 0.000 2.363 396 M HA 0.496 4.939 4.480 -0.062 0.000 0.343 396 M C -0.973 175.484 176.300 0.262 0.000 1.165 396 M CA -0.403 55.024 55.300 0.211 0.000 1.046 396 M CB 1.570 34.247 32.600 0.129 0.000 1.648 396 M HN 0.701 nan 8.290 nan 0.000 0.452 397 I N 2.306 122.993 120.570 0.194 0.000 2.623 397 I HA 0.424 4.557 4.170 -0.062 0.000 0.275 397 I C 0.736 176.912 176.117 0.098 0.000 1.108 397 I CA -0.175 61.188 61.300 0.106 0.000 1.120 397 I CB 0.943 38.922 38.000 -0.035 0.000 1.249 397 I HN 0.972 nan 8.210 nan 0.000 0.500 398 G N 7.344 116.191 108.800 0.078 0.000 2.509 398 G HA2 -0.231 3.692 3.960 -0.062 0.000 0.259 398 G HA3 -0.231 3.692 3.960 -0.062 0.000 0.259 398 G C -1.645 173.299 174.900 0.075 0.000 1.169 398 G CA 0.149 45.289 45.100 0.066 0.000 0.953 398 G HN 0.445 nan 8.290 nan 0.000 0.563 399 P HA 0.168 nan 4.420 nan 0.000 0.235 399 P C 0.890 178.235 177.300 0.075 0.000 1.177 399 P CA 1.582 64.721 63.100 0.065 0.000 0.785 399 P CB -0.003 31.730 31.700 0.056 0.000 0.885 400 S N -0.095 115.671 115.700 0.110 0.000 2.554 400 S HA 0.649 5.082 4.470 -0.062 0.000 0.278 400 S C 0.040 174.739 174.600 0.164 0.000 1.242 400 S CA -0.744 57.527 58.200 0.118 0.000 1.051 400 S CB 1.493 64.781 63.200 0.146 0.000 0.986 400 S HN 0.215 nan 8.310 nan 0.000 0.502 401 A N 3.134 125.989 122.820 0.058 0.000 2.301 401 A HA 0.545 4.828 4.320 -0.062 0.000 0.312 401 A C -0.240 177.293 177.584 -0.084 0.000 1.182 401 A CA -0.676 51.369 52.037 0.014 0.000 0.826 401 A CB 0.293 19.271 19.000 -0.036 0.000 1.134 401 A HN 0.983 nan 8.150 nan 0.000 0.501 402 H N 1.550 120.413 119.070 -0.344 0.000 2.646 402 H HA 0.273 4.792 4.556 -0.062 0.000 0.328 402 H C -0.984 173.983 175.328 -0.602 0.000 0.998 402 H CA -0.295 55.476 56.048 -0.461 0.000 1.225 402 H CB 1.732 31.134 29.762 -0.601 0.000 1.457 402 H HN 0.850 nan 8.280 nan 0.000 0.505 403 E N 4.249 124.299 120.200 -0.250 0.000 2.073 403 E HA 0.272 4.585 4.350 -0.062 0.000 0.269 403 E C -1.035 175.509 176.600 -0.092 0.000 0.917 403 E CA -0.686 55.600 56.400 -0.191 0.000 0.757 403 E CB 0.810 30.451 29.700 -0.099 0.000 1.111 403 E HN 0.260 nan 8.360 nan 0.000 0.410 404 V N 3.808 123.683 119.914 -0.065 0.000 2.432 404 V HA 0.547 4.630 4.120 -0.062 0.000 0.275 404 V C 0.665 176.809 176.094 0.083 0.000 1.043 404 V CA -0.270 62.076 62.300 0.077 0.000 0.925 404 V CB 1.440 33.389 31.823 0.210 0.000 0.985 404 V HN 0.736 nan 8.190 nan 0.000 0.466 405 G N 3.023 111.905 108.800 0.137 0.000 2.530 405 G HA2 0.619 4.542 3.960 -0.062 0.000 0.316 405 G HA3 0.619 4.542 3.960 -0.062 0.000 0.316 405 G C -1.460 173.536 174.900 0.160 0.000 1.298 405 G CA -0.503 44.696 45.100 0.164 0.000 0.948 405 G HN 0.652 nan 8.290 nan 0.000 0.486 406 V N 1.365 121.302 119.914 0.038 0.000 2.876 406 V HA 1.009 5.091 4.120 -0.062 0.000 0.312 406 V C 0.095 175.904 176.094 -0.475 0.000 1.085 406 V CA 0.243 62.458 62.300 -0.142 0.000 0.945 406 V CB 2.139 34.011 31.823 0.083 0.000 1.017 406 V HN 1.333 nan 8.190 nan 0.000 0.428 407 G N 3.440 111.697 108.800 -0.905 0.000 2.698 407 G HA2 0.628 4.551 3.960 -0.062 0.000 0.293 407 G HA3 0.628 4.551 3.960 -0.062 0.000 0.293 407 G C -2.447 172.348 174.900 -0.174 0.000 1.437 407 G CA -0.528 44.132 45.100 -0.733 0.000 0.852 407 G HN 1.184 nan 8.290 nan 0.000 0.499 408 Y N 0.598 120.848 120.300 -0.084 0.000 2.513 408 Y HA 0.789 5.302 4.550 -0.062 0.000 0.340 408 Y C -0.775 175.114 175.900 -0.020 0.000 1.055 408 Y CA -1.168 56.895 58.100 -0.062 0.000 1.020 408 Y CB 2.090 40.534 38.460 -0.027 0.000 1.301 408 Y HN 0.702 nan 8.280 nan 0.000 0.453 409 R N 5.300 125.227 120.500 -0.954 0.000 2.538 409 R HA 0.371 4.673 4.340 -0.062 0.000 0.292 409 R C -2.418 173.305 176.300 -0.961 0.000 1.008 409 R CA -0.783 54.897 56.100 -0.701 0.000 0.896 409 R CB 1.350 31.517 30.300 -0.223 0.000 1.187 409 R HN 0.760 nan 8.270 nan 0.000 0.440 410 Y N 5.662 125.505 120.300 -0.761 0.000 2.331 410 Y HA 0.537 5.050 4.550 -0.062 0.000 0.338 410 Y C -1.651 174.057 175.900 -0.320 0.000 0.992 410 Y CA -0.801 56.974 58.100 -0.542 0.000 1.121 410 Y CB 1.046 39.389 38.460 -0.195 0.000 1.184 410 Y HN 0.603 nan 8.280 nan 0.000 0.469 411 L N 7.593 128.221 121.223 -0.993 0.000 2.408 411 L HA 0.540 4.843 4.340 -0.062 0.000 0.268 411 L C -1.710 174.660 176.870 -0.833 0.000 0.986 411 L CA -0.531 53.883 54.840 -0.709 0.000 0.820 411 L CB 1.601 43.521 42.059 -0.233 0.000 1.303 411 L HN 0.794 nan 8.230 nan 0.000 0.411 412 N N 3.856 122.217 118.700 -0.565 0.000 2.346 412 N HA 0.357 5.060 4.740 -0.062 0.000 0.289 412 N C -1.758 173.728 175.510 -0.040 0.000 1.027 412 N CA -0.345 52.524 53.050 -0.302 0.000 0.864 412 N CB 2.111 40.487 38.487 -0.185 0.000 1.370 412 N HN 0.808 nan 8.380 nan 0.000 0.481 413 E N 1.416 121.654 120.200 0.063 0.000 2.288 413 E HA 0.625 4.938 4.350 -0.062 0.000 0.268 413 E C -1.290 175.465 176.600 0.258 0.000 0.885 413 E CA -0.859 55.670 56.400 0.215 0.000 0.767 413 E CB 1.785 31.647 29.700 0.269 0.000 1.220 413 E HN 0.240 nan 8.360 nan 0.000 0.427 414 S N 0.564 116.483 115.700 0.365 0.000 2.549 414 S HA 0.678 5.111 4.470 -0.062 0.000 0.280 414 S C -0.921 173.952 174.600 0.455 0.000 1.109 414 S CA -0.674 57.734 58.200 0.347 0.000 0.905 414 S CB 1.937 65.338 63.200 0.334 0.000 1.081 414 S HN 0.742 nan 8.310 nan 0.000 0.477 415 T N -0.895 113.811 114.554 0.253 0.000 2.865 415 T HA 0.653 4.966 4.350 -0.062 0.000 0.294 415 T C -1.440 173.346 174.700 0.143 0.000 1.119 415 T CA -0.654 61.499 62.100 0.088 0.000 1.007 415 T CB 1.827 70.675 68.868 -0.033 0.000 1.225 415 T HN 0.745 nan 8.240 nan 0.000 0.515 416 H N 0.616 119.584 119.070 -0.170 0.000 3.149 416 H HA 0.445 4.965 4.556 -0.061 0.000 0.334 416 H C -1.658 173.534 175.328 -0.226 0.000 1.000 416 H CA -0.575 55.417 56.048 -0.093 0.000 1.415 416 H CB 1.373 31.176 29.762 0.069 0.000 1.819 416 H HN 0.686 nan 8.280 nan 0.000 0.486 417 E N 5.108 125.177 120.200 -0.217 0.000 2.210 417 E HA 0.433 4.746 4.350 -0.062 0.000 0.266 417 E C -0.831 175.578 176.600 -0.318 0.000 0.883 417 E CA -0.491 55.736 56.400 -0.288 0.000 0.761 417 E CB 2.799 32.426 29.700 -0.121 0.000 1.156 417 E HN 0.445 nan 8.360 nan 0.000 0.412 418 M N 1.681 121.068 119.600 -0.355 0.000 2.593 418 M HA 0.539 4.981 4.480 -0.062 0.000 0.290 418 M C -0.872 175.281 176.300 -0.246 0.000 1.244 418 M CA -0.769 54.314 55.300 -0.363 0.000 0.857 418 M CB 2.943 35.201 32.600 -0.571 0.000 1.738 418 M HN 0.254 nan 8.290 nan 0.000 0.461 419 R N 1.515 121.873 120.500 -0.237 0.000 2.500 419 R HA 0.504 4.806 4.340 -0.062 0.000 0.299 419 R C -2.132 174.163 176.300 -0.008 0.000 1.038 419 R CA -0.331 55.737 56.100 -0.053 0.000 0.903 419 R CB 1.365 31.685 30.300 0.032 0.000 1.177 419 R HN 0.624 nan 8.270 nan 0.000 0.455 420 Y N 3.254 123.652 120.300 0.163 0.000 2.403 420 Y HA 0.435 4.948 4.550 -0.062 0.000 0.323 420 Y C -0.106 175.933 175.900 0.232 0.000 1.226 420 Y CA -0.212 57.997 58.100 0.182 0.000 1.235 420 Y CB 1.230 39.745 38.460 0.093 0.000 1.248 420 Y HN 0.486 nan 8.280 nan 0.000 0.489 421 Y N -1.967 118.483 120.300 0.251 0.000 2.638 421 Y HA 0.813 5.324 4.550 -0.064 0.000 0.335 421 Y C -1.075 174.885 175.900 0.099 0.000 1.155 421 Y CA -1.389 56.797 58.100 0.142 0.000 1.046 421 Y CB 1.317 39.830 38.460 0.089 0.000 1.303 421 Y HN 0.588 nan 8.280 nan 0.000 0.460 422 T N -0.673 113.986 114.554 0.176 0.000 2.864 422 T HA 0.858 5.170 4.350 -0.062 0.000 0.299 422 T C -0.679 174.093 174.700 0.121 0.000 1.166 422 T CA -0.611 61.532 62.100 0.071 0.000 1.007 422 T CB 1.403 70.264 68.868 -0.011 0.000 1.219 422 T HN 1.330 nan 8.240 nan 0.000 0.506 423 A N 1.002 123.867 122.820 0.075 0.000 2.401 423 A HA 0.538 4.821 4.320 -0.062 0.000 0.259 423 A C 1.404 178.972 177.584 -0.027 0.000 1.103 423 A CA -0.339 51.725 52.037 0.046 0.000 0.789 423 A CB -0.317 18.708 19.000 0.043 0.000 1.035 423 A HN 0.922 nan 8.150 nan 0.000 0.491 424 T N 1.703 116.225 114.554 -0.054 0.000 2.788 424 T HA -0.178 4.134 4.350 -0.062 0.000 0.268 424 T C 2.208 176.867 174.700 -0.068 0.000 1.044 424 T CA 2.062 64.083 62.100 -0.132 0.000 1.139 424 T CB -0.359 68.450 68.868 -0.099 0.000 0.867 424 T HN 1.066 nan 8.240 nan 0.000 0.454 425 S N 1.951 117.639 115.700 -0.020 0.000 2.462 425 S HA -0.098 4.335 4.470 -0.062 0.000 0.243 425 S C 1.283 175.881 174.600 -0.004 0.000 1.003 425 S CA 0.739 58.939 58.200 -0.000 0.000 0.970 425 S CB -0.708 62.497 63.200 0.008 0.000 0.762 425 S HN 0.647 nan 8.310 nan 0.000 0.510 426 S N 0.331 116.019 115.700 -0.020 0.000 2.713 426 S HA 0.758 5.191 4.470 -0.062 0.000 0.277 426 S C 0.852 175.436 174.600 -0.027 0.000 1.168 426 S CA -0.441 57.748 58.200 -0.018 0.000 0.994 426 S CB 0.728 63.915 63.200 -0.021 0.000 1.054 426 S HN 0.452 nan 8.310 nan 0.000 0.555 427 G N -0.438 108.350 108.800 -0.020 0.000 2.829 427 G HA2 0.471 4.394 3.960 -0.062 0.000 0.173 427 G HA3 0.471 4.394 3.960 -0.062 0.000 0.173 427 G C -0.648 174.225 174.900 -0.045 0.000 1.476 427 G CA -0.250 44.842 45.100 -0.014 0.000 1.072 427 G HN 1.414 nan 8.290 nan 0.000 0.577 428 Q N -1.329 118.446 119.800 -0.041 0.000 3.207 428 Q HA -0.184 4.118 4.340 -0.062 0.000 0.028 428 Q C -1.039 174.895 176.000 -0.109 0.000 1.694 428 Q CA 0.086 55.852 55.803 -0.061 0.000 0.251 428 Q CB -1.199 27.512 28.738 -0.043 0.000 0.584 428 Q HN 0.334 nan 8.270 nan 0.000 0.322 429 L N 3.510 124.649 121.223 -0.141 0.000 2.439 429 L HA 0.539 4.842 4.340 -0.062 0.000 0.261 429 L C -1.735 175.097 176.870 -0.064 0.000 1.153 429 L CA -2.292 52.415 54.840 -0.222 0.000 0.808 429 L CB 0.338 42.094 42.059 -0.506 0.000 1.126 429 L HN 0.634 nan 8.230 nan 0.000 0.460 430 P HA 0.166 nan 4.420 nan 0.000 0.272 430 P C -0.972 176.395 177.300 0.112 0.000 1.230 430 P CA -0.359 62.793 63.100 0.087 0.000 0.788 430 P CB 1.171 32.976 31.700 0.175 0.000 0.949 431 S N -1.025 114.664 115.700 -0.018 0.000 2.819 431 S HA 0.565 4.998 4.470 -0.062 0.000 0.299 431 S C 1.295 175.641 174.600 -0.424 0.000 1.192 431 S CA -0.128 58.000 58.200 -0.120 0.000 0.847 431 S CB 0.663 63.825 63.200 -0.063 0.000 1.224 431 S HN 0.424 nan 8.310 nan 0.000 0.537 432 G N 0.680 109.221 108.800 -0.431 0.000 2.535 432 G HA2 -0.015 3.908 3.960 -0.062 0.000 0.218 432 G HA3 -0.015 3.908 3.960 -0.062 0.000 0.218 432 G C 1.102 175.857 174.900 -0.242 0.000 1.122 432 G CA 0.965 45.731 45.100 -0.556 0.000 0.769 432 G HN 1.178 nan 8.290 nan 0.000 0.549 433 S N -0.489 115.133 115.700 -0.131 0.000 2.556 433 S HA 0.321 4.753 4.470 -0.062 0.000 0.216 433 S C 0.940 175.551 174.600 0.019 0.000 0.970 433 S CA -0.297 57.893 58.200 -0.016 0.000 0.912 433 S CB 0.460 63.648 63.200 -0.020 0.000 0.790 433 S HN 0.113 nan 8.310 nan 0.000 0.504 434 S N 3.878 119.590 115.700 0.020 0.000 2.652 434 S HA 0.485 4.918 4.470 -0.062 0.000 0.270 434 S C -2.359 172.312 174.600 0.119 0.000 1.243 434 S CA -1.075 57.139 58.200 0.023 0.000 0.999 434 S CB 0.480 63.678 63.200 -0.003 0.000 0.973 434 S HN 0.335 nan 8.310 nan 0.000 0.544 435 P HA 0.239 nan 4.420 nan 0.000 0.274 435 P C -1.462 175.748 177.300 -0.150 0.000 1.246 435 P CA -0.263 62.711 63.100 -0.210 0.000 0.795 435 P CB 0.175 31.653 31.700 -0.370 0.000 1.006 436 Y N -1.476 118.783 120.300 -0.068 0.000 2.477 436 Y HA 0.535 5.047 4.550 -0.063 0.000 0.347 436 Y C 0.146 176.126 175.900 0.133 0.000 0.981 436 Y CA -1.148 56.917 58.100 -0.059 0.000 1.033 436 Y CB 1.108 39.245 38.460 -0.538 0.000 1.245 436 Y HN 0.248 nan 8.280 nan 0.000 0.455 437 D N 1.182 121.795 120.400 0.355 0.000 2.440 437 D HA 0.182 4.784 4.640 -0.062 0.000 0.216 437 D C -0.126 176.249 176.300 0.125 0.000 1.150 437 D CA -0.177 53.932 54.000 0.181 0.000 0.832 437 D CB 0.455 41.281 40.800 0.044 0.000 0.992 437 D HN 0.635 nan 8.370 nan 0.000 0.502 438 R N 0.151 120.743 120.500 0.153 0.000 2.548 438 R HA 0.425 4.728 4.340 -0.062 0.000 0.280 438 R C -2.180 174.145 176.300 0.041 0.000 1.061 438 R CA -0.450 55.696 56.100 0.077 0.000 0.915 438 R CB 1.410 31.723 30.300 0.021 0.000 1.210 438 R HN -0.138 nan 8.270 nan 0.000 0.442 439 D N 2.739 123.179 120.400 0.065 0.000 2.351 439 D HA 0.161 4.764 4.640 -0.062 0.000 0.235 439 D C -1.507 174.853 176.300 0.100 0.000 1.331 439 D CA 0.037 54.070 54.000 0.054 0.000 0.959 439 D CB 1.388 42.262 40.800 0.124 0.000 1.432 439 D HN 0.590 nan 8.370 nan 0.000 0.544 440 T N 0.106 114.715 114.554 0.092 0.000 2.916 440 T HA 0.833 5.145 4.350 -0.062 0.000 0.292 440 T C -0.152 174.627 174.700 0.133 0.000 1.055 440 T CA -0.937 61.219 62.100 0.093 0.000 1.009 440 T CB 2.043 70.938 68.868 0.046 0.000 1.118 440 T HN 0.220 nan 8.240 nan 0.000 0.497 441 R N 0.984 121.541 120.500 0.094 0.000 2.574 441 R HA 0.724 5.027 4.340 -0.062 0.000 0.288 441 R C -1.064 175.226 176.300 -0.016 0.000 1.004 441 R CA -0.747 55.403 56.100 0.082 0.000 0.895 441 R CB 2.554 32.915 30.300 0.102 0.000 1.191 441 R HN 0.735 nan 8.270 nan 0.000 0.444 442 S N -0.095 115.423 115.700 -0.304 0.000 2.709 442 S HA 0.940 5.373 4.470 -0.062 0.000 0.302 442 S C -0.630 173.323 174.600 -1.078 0.000 1.127 442 S CA -0.815 56.813 58.200 -0.953 0.000 0.905 442 S CB 2.404 64.665 63.200 -1.565 0.000 1.151 442 S HN 0.786 nan 8.310 nan 0.000 0.510 443 G N -0.071 107.798 108.800 -1.551 0.000 2.547 443 G HA2 0.570 4.493 3.960 -0.062 0.000 0.291 443 G HA3 0.570 4.493 3.960 -0.062 0.000 0.291 443 G C -1.740 173.047 174.900 -0.189 0.000 1.471 443 G CA -0.439 44.300 45.100 -0.603 0.000 0.798 443 G HN 0.648 nan 8.290 nan 0.000 0.504 444 T N -0.139 114.479 114.554 0.106 0.000 2.923 444 T HA 0.615 4.928 4.350 -0.062 0.000 0.311 444 T C -1.256 173.418 174.700 -0.043 0.000 1.183 444 T CA -0.560 61.581 62.100 0.068 0.000 1.020 444 T CB 2.404 71.290 68.868 0.031 0.000 1.165 444 T HN 0.637 nan 8.240 nan 0.000 0.482 445 E N 1.042 121.183 120.200 -0.098 0.000 2.216 445 E HA 0.670 4.983 4.350 -0.062 0.000 0.260 445 E C -1.316 175.082 176.600 -0.337 0.000 0.880 445 E CA -0.669 55.635 56.400 -0.160 0.000 0.765 445 E CB 1.017 30.774 29.700 0.095 0.000 1.174 445 E HN 0.786 nan 8.360 nan 0.000 0.417 446 A N 4.912 127.357 122.820 -0.626 0.000 2.356 446 A HA 0.513 4.796 4.320 -0.062 0.000 0.310 446 A C -1.328 175.887 177.584 -0.615 0.000 1.075 446 A CA -0.695 50.951 52.037 -0.651 0.000 0.746 446 A CB 0.867 19.145 19.000 -1.203 0.000 1.221 446 A HN 0.713 nan 8.150 nan 0.000 0.443 447 H N 1.534 120.501 119.070 -0.171 0.000 2.551 447 H HA 0.595 5.114 4.556 -0.062 0.000 0.321 447 H C -0.258 174.842 175.328 -0.379 0.000 1.028 447 H CA -0.031 55.827 56.048 -0.316 0.000 1.215 447 H CB 1.845 31.482 29.762 -0.209 0.000 1.414 447 H HN 0.813 nan 8.280 nan 0.000 0.480 448 A N 4.679 127.243 122.820 -0.427 0.000 2.318 448 A HA 0.498 4.781 4.320 -0.062 0.000 0.317 448 A C -1.027 176.511 177.584 -0.076 0.000 1.159 448 A CA -0.707 51.271 52.037 -0.099 0.000 0.799 448 A CB 1.430 20.436 19.000 0.010 0.000 1.194 448 A HN 0.611 nan 8.150 nan 0.000 0.479 449 W N 1.554 123.068 121.300 0.357 0.000 2.761 449 W HA 0.581 5.204 4.660 -0.062 0.000 0.340 449 W C -1.007 175.716 176.519 0.340 0.000 1.072 449 W CA -0.229 57.329 57.345 0.354 0.000 1.215 449 W CB 2.067 31.737 29.460 0.349 0.000 1.420 449 W HN 0.806 nan 8.180 nan 0.000 0.519 450 Y N 1.053 121.586 120.300 0.387 0.000 2.552 450 Y HA 0.765 5.278 4.550 -0.062 0.000 0.337 450 Y C -2.285 173.742 175.900 0.211 0.000 1.094 450 Y CA -1.765 56.482 58.100 0.245 0.000 1.028 450 Y CB 1.179 39.717 38.460 0.131 0.000 1.321 450 Y HN 0.238 nan 8.280 nan 0.000 0.456 451 L N 4.350 125.829 121.223 0.427 0.000 2.505 451 L HA 0.767 5.069 4.340 -0.062 0.000 0.266 451 L C -2.127 174.919 176.870 0.293 0.000 0.954 451 L CA -0.266 54.748 54.840 0.291 0.000 0.852 451 L CB 1.973 44.144 42.059 0.188 0.000 1.282 451 L HN 0.992 nan 8.230 nan 0.000 0.403 452 D N 1.391 121.957 120.400 0.276 0.000 2.570 452 D HA 0.624 5.227 4.640 -0.062 0.000 0.244 452 D C -1.689 174.704 176.300 0.156 0.000 1.178 452 D CA -0.429 53.690 54.000 0.198 0.000 0.881 452 D CB 1.778 42.692 40.800 0.190 0.000 1.453 452 D HN 0.355 nan 8.370 nan 0.000 0.447 453 D N -0.314 120.149 120.400 0.105 0.000 2.602 453 D HA 0.180 4.783 4.640 -0.062 0.000 0.245 453 D C -1.376 174.918 176.300 -0.010 0.000 1.325 453 D CA -0.545 53.492 54.000 0.062 0.000 0.952 453 D CB 1.346 42.211 40.800 0.108 0.000 1.317 453 D HN 0.392 nan 8.370 nan 0.000 0.577 454 K N 5.148 125.526 120.400 -0.036 0.000 2.273 454 K HA 0.325 4.608 4.320 -0.062 0.000 0.287 454 K C -0.485 176.021 176.600 -0.157 0.000 1.089 454 K CA -0.377 55.870 56.287 -0.066 0.000 0.909 454 K CB 0.285 32.768 32.500 -0.028 0.000 1.123 454 K HN 0.480 nan 8.250 nan 0.000 0.473 455 I N 4.482 124.934 120.570 -0.198 0.000 2.307 455 I HA 0.113 4.246 4.170 -0.062 0.000 0.289 455 I C -0.387 175.638 176.117 -0.154 0.000 1.021 455 I CA -0.715 60.384 61.300 -0.336 0.000 1.224 455 I CB 1.200 38.918 38.000 -0.471 0.000 1.376 455 I HN 0.433 nan 8.210 nan 0.000 0.470 456 D N 7.376 127.703 120.400 -0.121 0.000 2.347 456 D HA 0.361 4.964 4.640 -0.062 0.000 0.235 456 D C -0.591 175.713 176.300 0.007 0.000 1.149 456 D CA -0.017 53.969 54.000 -0.024 0.000 0.850 456 D CB 2.301 43.082 40.800 -0.032 0.000 1.061 456 D HN 0.220 nan 8.370 nan 0.000 0.487 457 I N 1.919 122.536 120.570 0.078 0.000 2.468 457 I HA 0.406 4.538 4.170 -0.062 0.000 0.284 457 I C 0.701 176.938 176.117 0.200 0.000 1.038 457 I CA 0.230 61.593 61.300 0.104 0.000 1.083 457 I CB 0.975 39.018 38.000 0.072 0.000 1.223 457 I HN 0.564 nan 8.210 nan 0.000 0.443 458 G N 6.874 115.750 108.800 0.127 0.000 2.583 458 G HA2 -0.358 3.565 3.960 -0.062 0.000 0.292 458 G HA3 -0.358 3.565 3.960 -0.062 0.000 0.292 458 G C 0.641 175.566 174.900 0.043 0.000 1.203 458 G CA 0.566 45.740 45.100 0.125 0.000 0.987 458 G HN 0.635 nan 8.290 nan 0.000 0.554 459 N N 0.881 119.573 118.700 -0.013 0.000 2.383 459 N HA 0.128 4.831 4.740 -0.062 0.000 0.192 459 N C -0.057 175.301 175.510 -0.253 0.000 1.141 459 N CA 0.548 53.405 53.050 -0.321 0.000 0.851 459 N CB 0.026 38.069 38.487 -0.741 0.000 0.976 459 N HN 0.443 nan 8.380 nan 0.000 0.465 460 W N 0.509 121.830 121.300 0.035 0.000 2.449 460 W HA 0.419 5.042 4.660 -0.062 0.000 0.331 460 W C 0.104 176.660 176.519 0.062 0.000 1.119 460 W CA -0.418 56.993 57.345 0.111 0.000 1.240 460 W CB 0.966 30.508 29.460 0.136 0.000 1.251 460 W HN -0.348 nan 8.180 nan 0.000 0.576 461 T N 3.566 118.303 114.554 0.305 0.000 2.965 461 T HA 0.515 4.828 4.350 -0.062 0.000 0.306 461 T C -0.867 173.904 174.700 0.118 0.000 0.991 461 T CA -0.500 61.689 62.100 0.149 0.000 1.001 461 T CB 0.181 69.119 68.868 0.116 0.000 0.984 461 T HN 0.111 nan 8.240 nan 0.000 0.446 462 I N 2.643 123.250 120.570 0.062 0.000 2.406 462 I HA 0.436 4.569 4.170 -0.062 0.000 0.290 462 I C 0.042 176.146 176.117 -0.023 0.000 0.999 462 I CA -0.576 60.743 61.300 0.032 0.000 1.124 462 I CB 2.100 40.108 38.000 0.014 0.000 1.289 462 I HN 0.449 nan 8.210 nan 0.000 0.441 463 T N 6.639 121.181 114.554 -0.020 0.000 3.064 463 T HA 0.336 4.648 4.350 -0.062 0.000 0.367 463 T C -2.586 172.114 174.700 0.000 0.000 1.202 463 T CA -1.237 60.850 62.100 -0.021 0.000 1.133 463 T CB 0.737 69.579 68.868 -0.043 0.000 1.074 463 T HN 0.308 nan 8.240 nan 0.000 0.519 464 P HA 0.545 nan 4.420 nan 0.000 0.278 464 P C -0.091 177.244 177.300 0.058 0.000 1.238 464 P CA -0.075 63.045 63.100 0.034 0.000 0.794 464 P CB 1.480 33.205 31.700 0.041 0.000 0.955 465 G N 0.917 109.756 108.800 0.065 0.000 2.677 465 G HA2 0.624 4.546 3.960 -0.062 0.000 0.291 465 G HA3 0.624 4.546 3.960 -0.062 0.000 0.291 465 G C -1.975 172.990 174.900 0.108 0.000 1.435 465 G CA -0.633 44.527 45.100 0.099 0.000 0.826 465 G HN 0.562 nan 8.290 nan 0.000 0.491 466 M N 0.770 120.463 119.600 0.156 0.000 2.284 466 M HA 0.617 5.059 4.480 -0.062 0.000 0.281 466 M C -1.101 175.344 176.300 0.240 0.000 1.083 466 M CA -0.617 54.785 55.300 0.170 0.000 0.965 466 M CB 2.121 34.815 32.600 0.157 0.000 1.717 466 M HN 0.626 nan 8.290 nan 0.000 0.479 467 R N 3.430 124.066 120.500 0.227 0.000 2.711 467 R HA 0.790 5.092 4.340 -0.062 0.000 0.284 467 R C -2.102 174.391 176.300 0.321 0.000 0.968 467 R CA -0.476 55.791 56.100 0.280 0.000 0.924 467 R CB 1.420 31.833 30.300 0.189 0.000 1.162 467 R HN 0.766 nan 8.270 nan 0.000 0.465 468 F N 2.516 122.616 119.950 0.251 0.000 2.557 468 F HA 0.384 4.874 4.527 -0.062 0.000 0.316 468 F C -1.142 174.852 175.800 0.324 0.000 1.141 468 F CA -0.461 57.684 58.000 0.241 0.000 0.922 468 F CB 1.862 41.020 39.000 0.264 0.000 1.194 468 F HN 0.482 nan 8.300 nan 0.000 0.443 469 E N 3.759 123.670 120.200 -0.482 0.000 2.222 469 E HA 0.196 4.508 4.350 -0.062 0.000 0.267 469 E C -1.685 174.698 176.600 -0.363 0.000 0.884 469 E CA -0.974 55.286 56.400 -0.233 0.000 0.764 469 E CB 2.299 31.869 29.700 -0.217 0.000 1.169 469 E HN 0.597 nan 8.360 nan 0.000 0.413 470 H N 2.652 121.710 119.070 -0.019 0.000 2.539 470 H HA 0.468 4.987 4.556 -0.062 0.000 0.332 470 H C -1.296 173.986 175.328 -0.076 0.000 1.031 470 H CA -0.406 55.662 56.048 0.034 0.000 1.206 470 H CB 0.370 30.368 29.762 0.394 0.000 1.446 470 H HN 0.381 nan 8.280 nan 0.000 0.496 471 I N 4.487 124.527 120.570 -0.883 0.000 2.436 471 I HA 0.286 4.419 4.170 -0.062 0.000 0.289 471 I C -0.576 175.127 176.117 -0.689 0.000 1.010 471 I CA -0.536 60.298 61.300 -0.777 0.000 1.098 471 I CB 2.070 39.547 38.000 -0.871 0.000 1.266 471 I HN 0.580 nan 8.210 nan 0.000 0.434 472 E N 4.400 124.408 120.200 -0.321 0.000 2.216 472 E HA 0.567 4.880 4.350 -0.062 0.000 0.260 472 E C -1.314 175.319 176.600 0.053 0.000 0.880 472 E CA -0.455 55.904 56.400 -0.069 0.000 0.765 472 E CB 2.126 31.869 29.700 0.071 0.000 1.174 472 E HN 0.501 nan 8.360 nan 0.000 0.417 473 S N 1.731 117.514 115.700 0.139 0.000 2.599 473 S HA 0.662 5.095 4.470 -0.062 0.000 0.294 473 S C -1.424 173.303 174.600 0.212 0.000 1.094 473 S CA -0.793 57.523 58.200 0.195 0.000 0.931 473 S CB 0.877 64.230 63.200 0.256 0.000 1.093 473 S HN 0.511 nan 8.310 nan 0.000 0.488 474 Y N -0.263 120.107 120.300 0.117 0.000 2.615 474 Y HA 0.772 5.285 4.550 -0.062 0.000 0.341 474 Y C -1.036 174.802 175.900 -0.103 0.000 1.089 474 Y CA -1.044 57.034 58.100 -0.036 0.000 1.049 474 Y CB 1.282 39.695 38.460 -0.078 0.000 1.296 474 Y HN 0.601 nan 8.280 nan 0.000 0.470 475 Q N 2.437 122.220 119.800 -0.028 0.000 2.274 475 Q HA 0.347 4.650 4.340 -0.062 0.000 0.268 475 Q C -2.024 174.008 176.000 0.053 0.000 1.015 475 Q CA -0.683 55.083 55.803 -0.062 0.000 0.775 475 Q CB 1.666 30.381 28.738 -0.039 0.000 1.256 475 Q HN 0.875 nan 8.270 nan 0.000 0.442 476 N N 3.800 122.602 118.700 0.169 0.000 2.446 476 N HA 0.199 4.902 4.740 -0.062 0.000 0.265 476 N C -1.490 174.100 175.510 0.133 0.000 0.975 476 N CA -0.267 52.913 53.050 0.217 0.000 0.928 476 N CB 1.070 39.755 38.487 0.329 0.000 1.160 476 N HN 0.599 nan 8.380 nan 0.000 0.495 477 N N 3.112 121.878 118.700 0.111 0.000 2.457 477 N HA 0.215 4.918 4.740 -0.062 0.000 0.250 477 N C 0.466 176.031 175.510 0.092 0.000 0.982 477 N CA -0.209 52.895 53.050 0.089 0.000 0.941 477 N CB 1.511 40.041 38.487 0.072 0.000 1.120 477 N HN 0.618 nan 8.380 nan 0.000 0.505 478 A N 4.454 127.331 122.820 0.095 0.000 2.066 478 A HA -0.003 4.280 4.320 -0.062 0.000 0.218 478 A C 1.887 179.526 177.584 0.092 0.000 1.157 478 A CA 0.804 52.896 52.037 0.092 0.000 0.670 478 A CB -0.152 18.910 19.000 0.102 0.000 0.804 478 A HN 0.768 nan 8.150 nan 0.000 0.453 479 I N -0.480 120.147 120.570 0.094 0.000 2.429 479 I HA -0.127 4.006 4.170 -0.062 0.000 0.247 479 I C 2.708 178.857 176.117 0.054 0.000 1.099 479 I CA 1.641 62.986 61.300 0.076 0.000 1.422 479 I CB -0.402 37.645 38.000 0.078 0.000 1.112 479 I HN 0.443 nan 8.210 nan 0.000 0.430 480 T N -1.807 112.779 114.554 0.055 0.000 3.023 480 T HA 0.140 4.453 4.350 -0.062 0.000 0.266 480 T C 1.664 176.394 174.700 0.050 0.000 1.093 480 T CA 0.691 62.819 62.100 0.046 0.000 1.129 480 T CB 0.131 69.026 68.868 0.045 0.000 0.899 480 T HN 0.545 nan 8.240 nan 0.000 0.491 481 G N 1.706 110.542 108.800 0.060 0.000 2.159 481 G HA2 -0.252 3.671 3.960 -0.062 0.000 0.256 481 G HA3 -0.252 3.671 3.960 -0.062 0.000 0.256 481 G C 0.258 175.205 174.900 0.078 0.000 0.977 481 G CA 0.386 45.523 45.100 0.061 0.000 0.652 481 G HN 1.182 nan 8.290 nan 0.000 0.531 482 T N -2.111 112.494 114.554 0.083 0.000 2.910 482 T HA 0.551 4.863 4.350 -0.062 0.000 0.293 482 T C -0.332 174.454 174.700 0.143 0.000 1.015 482 T CA 0.175 62.333 62.100 0.096 0.000 1.094 482 T CB 2.118 71.027 68.868 0.068 0.000 0.968 482 T HN 0.839 nan 8.240 nan 0.000 0.521 483 H N 0.320 119.423 119.070 0.055 0.000 3.013 483 H HA 0.550 5.068 4.556 -0.062 0.000 0.326 483 H C -1.076 174.301 175.328 0.082 0.000 0.973 483 H CA -0.472 55.617 56.048 0.068 0.000 1.369 483 H CB 1.242 31.026 29.762 0.037 0.000 1.598 483 H HN 0.807 nan 8.280 nan 0.000 0.518 484 E N 3.148 123.179 120.200 -0.281 0.000 2.256 484 E HA 0.389 4.702 4.350 -0.062 0.000 0.267 484 E C -0.886 175.631 176.600 -0.139 0.000 0.892 484 E CA -0.811 55.512 56.400 -0.128 0.000 0.775 484 E CB 1.806 31.488 29.700 -0.029 0.000 1.207 484 E HN 0.641 nan 8.360 nan 0.000 0.420 485 E N 0.882 121.078 120.200 -0.007 0.000 2.367 485 E HA 0.582 4.894 4.350 -0.062 0.000 0.273 485 E C -1.289 175.379 176.600 0.113 0.000 0.903 485 E CA -1.092 55.357 56.400 0.081 0.000 0.764 485 E CB 2.396 32.171 29.700 0.125 0.000 1.252 485 E HN 0.260 nan 8.360 nan 0.000 0.446 486 V N -1.872 118.135 119.914 0.155 0.000 2.888 486 V HA 0.791 4.873 4.120 -0.062 0.000 0.309 486 V C -0.795 175.435 176.094 0.227 0.000 1.114 486 V CA -0.682 61.733 62.300 0.191 0.000 0.940 486 V CB 1.879 33.818 31.823 0.193 0.000 1.021 486 V HN 0.582 nan 8.190 nan 0.000 0.426 487 S N 3.197 119.042 115.700 0.241 0.000 2.647 487 S HA 0.914 5.347 4.470 -0.062 0.000 0.300 487 S C -1.200 173.545 174.600 0.242 0.000 1.129 487 S CA -0.430 57.863 58.200 0.155 0.000 1.029 487 S CB 1.052 64.368 63.200 0.193 0.000 1.007 487 S HN 1.667 nan 8.310 nan 0.000 0.484 488 Y N 1.489 121.772 120.300 -0.029 0.000 2.689 488 Y HA 0.698 5.211 4.550 -0.062 0.000 0.333 488 Y C -1.191 174.689 175.900 -0.033 0.000 1.208 488 Y CA -1.283 56.832 58.100 0.024 0.000 1.055 488 Y CB 0.523 39.009 38.460 0.044 0.000 1.304 488 Y HN 0.551 nan 8.280 nan 0.000 0.455 489 N N 0.108 118.888 118.700 0.135 0.000 2.328 489 N HA 0.796 5.499 4.740 -0.062 0.000 0.299 489 N C -1.703 173.699 175.510 -0.180 0.000 1.179 489 N CA -1.050 51.930 53.050 -0.116 0.000 0.793 489 N CB 2.305 40.823 38.487 0.052 0.000 1.366 489 N HN 0.910 nan 8.380 nan 0.000 0.493 490 A N 1.640 124.132 122.820 -0.546 0.000 2.646 490 A HA 0.447 4.729 4.320 -0.062 0.000 0.312 490 A C -2.709 174.605 177.584 -0.450 0.000 1.245 490 A CA -1.338 50.390 52.037 -0.515 0.000 0.755 490 A CB 0.416 18.782 19.000 -1.058 0.000 1.132 490 A HN 0.421 nan 8.150 nan 0.000 0.458 491 P HA 0.409 nan 4.420 nan 0.000 0.287 491 P C -0.998 176.345 177.300 0.072 0.000 1.281 491 P CA -0.175 63.013 63.100 0.147 0.000 0.781 491 P CB 1.518 33.397 31.700 0.298 0.000 0.903 492 L N 5.712 126.993 121.223 0.097 0.000 2.454 492 L HA 0.375 4.678 4.340 -0.062 0.000 0.258 492 L C -2.325 174.595 176.870 0.083 0.000 1.025 492 L CA -2.010 52.873 54.840 0.072 0.000 0.901 492 L CB 1.289 43.389 42.059 0.068 0.000 1.210 492 L HN 0.200 nan 8.230 nan 0.000 0.457 493 P HA 0.542 nan 4.420 nan 0.000 0.284 493 P C -0.841 176.462 177.300 0.005 0.000 1.253 493 P CA -0.221 62.909 63.100 0.051 0.000 0.800 493 P CB 2.661 34.391 31.700 0.050 0.000 0.961 494 A N 2.801 125.625 122.820 0.008 0.000 2.566 494 A HA 0.769 5.052 4.320 -0.062 0.000 0.292 494 A C -1.886 175.689 177.584 -0.015 0.000 1.112 494 A CA -0.659 51.361 52.037 -0.029 0.000 0.707 494 A CB 1.543 20.530 19.000 -0.022 0.000 1.302 494 A HN 0.509 nan 8.150 nan 0.000 0.409 495 L N 2.028 123.231 121.223 -0.033 0.000 2.528 495 L HA 0.488 4.791 4.340 -0.062 0.000 0.267 495 L C -1.132 175.732 176.870 -0.010 0.000 0.961 495 L CA -0.294 54.541 54.840 -0.008 0.000 0.866 495 L CB 1.579 43.645 42.059 0.011 0.000 1.248 495 L HN 0.871 nan 8.230 nan 0.000 0.404 496 N N 4.013 122.700 118.700 -0.021 0.000 2.335 496 N HA 0.765 5.468 4.740 -0.062 0.000 0.304 496 N C -1.529 173.986 175.510 0.009 0.000 1.135 496 N CA -0.722 52.313 53.050 -0.025 0.000 0.817 496 N CB 2.739 41.154 38.487 -0.120 0.000 1.294 496 N HN 0.318 nan 8.380 nan 0.000 0.497 497 V N 1.203 121.154 119.914 0.062 0.000 2.638 497 V HA 0.435 4.518 4.120 -0.062 0.000 0.306 497 V C -0.749 175.420 176.094 0.125 0.000 1.052 497 V CA -0.808 61.570 62.300 0.131 0.000 0.885 497 V CB 1.691 33.648 31.823 0.223 0.000 0.999 497 V HN 0.642 nan 8.190 nan 0.000 0.424 498 L N 4.724 126.004 121.223 0.095 0.000 2.346 498 L HA 0.702 5.004 4.340 -0.062 0.000 0.276 498 L C -1.498 175.361 176.870 -0.017 0.000 1.006 498 L CA -0.365 54.462 54.840 -0.022 0.000 0.817 498 L CB 1.769 43.724 42.059 -0.173 0.000 1.272 498 L HN 0.673 nan 8.230 nan 0.000 0.421 499 Y N 3.031 123.152 120.300 -0.297 0.000 2.338 499 Y HA 0.471 4.984 4.550 -0.062 0.000 0.333 499 Y C -0.959 174.686 175.900 -0.426 0.000 0.968 499 Y CA -0.623 57.199 58.100 -0.464 0.000 1.123 499 Y CB 0.920 38.952 38.460 -0.713 0.000 1.165 499 Y HN 0.705 nan 8.280 nan 0.000 0.452 500 H N 6.945 125.487 119.070 -0.880 0.000 2.969 500 H HA 0.209 4.728 4.556 -0.062 0.000 0.269 500 H C 0.907 175.848 175.328 -0.645 0.000 1.223 500 H CA 0.015 55.724 56.048 -0.565 0.000 1.400 500 H CB 0.680 30.213 29.762 -0.382 0.000 1.500 500 H HN 0.835 nan 8.280 nan 0.000 0.486 501 L N 1.544 122.596 121.223 -0.285 0.000 1.994 501 L HA -0.088 4.214 4.340 -0.062 0.000 0.208 501 L C 1.113 177.943 176.870 -0.067 0.000 1.071 501 L CA 1.610 56.329 54.840 -0.201 0.000 0.745 501 L CB 0.084 41.867 42.059 -0.460 0.000 0.892 501 L HN 0.716 nan 8.230 nan 0.000 0.431 502 T N -6.622 107.977 114.554 0.075 0.000 2.778 502 T HA 0.162 4.475 4.350 -0.062 0.000 0.293 502 T C 0.071 174.867 174.700 0.161 0.000 1.144 502 T CA -0.710 61.468 62.100 0.130 0.000 1.010 502 T CB 1.104 70.109 68.868 0.229 0.000 1.325 502 T HN -0.027 nan 8.240 nan 0.000 0.515 503 D N 0.871 121.339 120.400 0.114 0.000 2.392 503 D HA 0.037 4.640 4.640 -0.062 0.000 0.228 503 D C 1.282 177.647 176.300 0.109 0.000 1.003 503 D CA 1.174 55.236 54.000 0.103 0.000 0.917 503 D CB -0.038 40.781 40.800 0.031 0.000 0.890 503 D HN 0.659 nan 8.370 nan 0.000 0.532 504 S N -1.718 114.060 115.700 0.131 0.000 3.009 504 S HA 0.164 4.596 4.470 -0.062 0.000 0.254 504 S C -0.516 174.214 174.600 0.217 0.000 1.004 504 S CA -0.859 57.323 58.200 -0.029 0.000 1.119 504 S CB 0.179 63.203 63.200 -0.293 0.000 1.075 504 S HN 0.178 nan 8.310 nan 0.000 0.618 505 W N 2.534 123.987 121.300 0.255 0.000 2.934 505 W HA 0.605 5.227 4.660 -0.062 0.000 0.333 505 W C -2.051 174.536 176.519 0.114 0.000 1.035 505 W CA -1.226 56.286 57.345 0.278 0.000 1.256 505 W CB 0.956 30.607 29.460 0.319 0.000 1.306 505 W HN 0.004 nan 8.180 nan 0.000 0.430 506 N N 3.566 122.454 118.700 0.313 0.000 2.404 506 N HA 0.672 5.375 4.740 -0.062 0.000 0.297 506 N C -1.605 173.898 175.510 -0.012 0.000 1.163 506 N CA -0.572 52.418 53.050 -0.099 0.000 0.864 506 N CB 2.063 40.274 38.487 -0.460 0.000 1.247 506 N HN 0.229 nan 8.380 nan 0.000 0.510 507 L N 1.413 122.568 121.223 -0.114 0.000 2.381 507 L HA 0.542 4.845 4.340 -0.062 0.000 0.268 507 L C -1.082 175.758 176.870 -0.050 0.000 0.997 507 L CA -0.794 53.981 54.840 -0.108 0.000 0.818 507 L CB 1.169 43.146 42.059 -0.136 0.000 1.310 507 L HN 0.567 nan 8.230 nan 0.000 0.416 508 Y N 1.100 121.371 120.300 -0.048 0.000 2.597 508 Y HA 0.969 5.482 4.550 -0.062 0.000 0.340 508 Y C -1.077 174.827 175.900 0.007 0.000 1.097 508 Y CA -1.419 56.654 58.100 -0.045 0.000 1.037 508 Y CB 1.473 39.879 38.460 -0.092 0.000 1.305 508 Y HN 0.748 nan 8.280 nan 0.000 0.463 509 A N 2.519 125.495 122.820 0.259 0.000 2.606 509 A HA 0.862 5.144 4.320 -0.062 0.000 0.293 509 A C -1.656 176.063 177.584 0.225 0.000 1.082 509 A CA -0.349 51.818 52.037 0.216 0.000 0.685 509 A CB 1.848 20.931 19.000 0.139 0.000 1.284 509 A HN 1.506 nan 8.150 nan 0.000 0.408 510 N N -0.701 118.127 118.700 0.214 0.000 3.348 510 N HA 0.684 5.386 4.740 -0.062 0.000 0.233 510 N C -1.167 174.393 175.510 0.084 0.000 1.440 510 N CA 0.075 53.196 53.050 0.117 0.000 0.887 510 N CB 1.638 40.151 38.487 0.045 0.000 1.410 510 N HN 0.774 nan 8.380 nan 0.000 0.502 511 T N -0.967 113.542 114.554 -0.076 0.000 2.956 511 T HA 0.609 4.922 4.350 -0.062 0.000 0.312 511 T C -1.979 172.552 174.700 -0.282 0.000 1.151 511 T CA -0.391 61.495 62.100 -0.357 0.000 1.024 511 T CB 0.953 69.351 68.868 -0.784 0.000 1.140 511 T HN 0.573 nan 8.240 nan 0.000 0.473 512 E N 1.166 121.182 120.200 -0.308 0.000 2.413 512 E HA 0.576 4.889 4.350 -0.062 0.000 0.277 512 E C -0.715 175.788 176.600 -0.162 0.000 0.958 512 E CA -1.369 54.928 56.400 -0.172 0.000 0.779 512 E CB 2.029 31.671 29.700 -0.096 0.000 1.278 512 E HN 0.716 nan 8.360 nan 0.000 0.456 513 G N 0.579 109.336 108.800 -0.072 0.000 2.335 513 G HA2 0.475 4.398 3.960 -0.062 0.000 0.316 513 G HA3 0.475 4.398 3.960 -0.062 0.000 0.316 513 G C -0.627 174.295 174.900 0.037 0.000 1.129 513 G CA -0.165 44.923 45.100 -0.019 0.000 0.899 513 G HN 0.211 nan 8.290 nan 0.000 0.448 514 S N 0.083 115.812 115.700 0.049 0.000 2.600 514 S HA 0.864 5.297 4.470 -0.062 0.000 0.300 514 S C -1.164 173.557 174.600 0.202 0.000 1.087 514 S CA -0.551 57.692 58.200 0.072 0.000 0.965 514 S CB 1.244 64.386 63.200 -0.097 0.000 1.089 514 S HN 0.850 nan 8.310 nan 0.000 0.496 515 F N -0.661 119.244 119.950 -0.076 0.000 2.654 515 F HA 0.847 5.337 4.527 -0.061 0.000 0.308 515 F C -0.393 175.403 175.800 -0.006 0.000 1.108 515 F CA -0.928 57.075 58.000 0.004 0.000 0.957 515 F CB 0.703 39.744 39.000 0.068 0.000 1.309 515 F HN 0.629 nan 8.300 nan 0.000 0.446 516 G N 0.697 109.540 108.800 0.072 0.000 2.420 516 G HA2 0.575 4.498 3.960 -0.062 0.000 0.331 516 G HA3 0.575 4.498 3.960 -0.062 0.000 0.331 516 G C -0.793 174.202 174.900 0.158 0.000 1.168 516 G CA -0.436 44.655 45.100 -0.016 0.000 0.936 516 G HN 1.024 nan 8.290 nan 0.000 0.479 517 T N -2.033 112.552 114.554 0.052 0.000 2.810 517 T HA 0.490 4.802 4.350 -0.062 0.000 0.277 517 T C 0.030 174.754 174.700 0.040 0.000 0.973 517 T CA -0.624 61.608 62.100 0.219 0.000 0.949 517 T CB 1.422 70.405 68.868 0.191 0.000 1.075 517 T HN 0.331 nan 8.240 nan 0.000 0.537 518 V N 2.465 122.317 119.914 -0.104 0.000 2.353 518 V HA 0.198 4.281 4.120 -0.062 0.000 0.264 518 V C 0.660 176.609 176.094 -0.241 0.000 1.049 518 V CA -0.467 61.579 62.300 -0.423 0.000 0.896 518 V CB -0.013 31.443 31.823 -0.613 0.000 1.025 518 V HN 0.799 nan 8.190 nan 0.000 0.475 519 Q N 2.832 122.491 119.800 -0.235 0.000 2.421 519 Q HA 0.137 4.440 4.340 -0.062 0.000 0.255 519 Q C 0.503 176.404 176.000 -0.165 0.000 1.013 519 Q CA -0.254 55.409 55.803 -0.232 0.000 0.895 519 Q CB 0.704 29.354 28.738 -0.147 0.000 1.271 519 Q HN 0.689 nan 8.270 nan 0.000 0.460 520 Y N 0.575 120.864 120.300 -0.018 0.000 2.102 520 Y HA -0.293 4.219 4.550 -0.063 0.000 0.280 520 Y C 2.570 178.454 175.900 -0.026 0.000 1.178 520 Y CA 1.689 59.775 58.100 -0.024 0.000 1.146 520 Y CB -0.890 37.572 38.460 0.005 0.000 0.968 520 Y HN 0.676 nan 8.280 nan 0.000 0.504 521 S N -0.762 115.018 115.700 0.132 0.000 2.547 521 S HA -0.118 4.315 4.470 -0.062 0.000 0.235 521 S C 1.334 175.952 174.600 0.030 0.000 0.980 521 S CA 0.841 59.089 58.200 0.078 0.000 0.941 521 S CB -0.187 63.055 63.200 0.070 0.000 0.763 521 S HN 0.482 nan 8.310 nan 0.000 0.532 522 Q N -0.042 119.742 119.800 -0.027 0.000 2.217 522 Q HA 0.392 4.695 4.340 -0.062 0.000 0.217 522 Q C 1.717 177.631 176.000 -0.142 0.000 0.844 522 Q CA -0.079 55.672 55.803 -0.087 0.000 0.957 522 Q CB -0.056 28.573 28.738 -0.182 0.000 1.127 522 Q HN 0.571 nan 8.270 nan 0.000 0.503 523 I N 0.588 121.108 120.570 -0.084 0.000 2.264 523 I HA -0.228 3.905 4.170 -0.062 0.000 0.248 523 I C 2.150 178.256 176.117 -0.019 0.000 1.111 523 I CA 1.515 62.781 61.300 -0.057 0.000 1.382 523 I CB -0.411 37.602 38.000 0.022 0.000 1.060 523 I HN 0.219 nan 8.210 nan 0.000 0.418 524 G N 0.892 109.696 108.800 0.007 0.000 2.421 524 G HA2 -0.303 3.619 3.960 -0.062 0.000 0.216 524 G HA3 -0.303 3.619 3.960 -0.062 0.000 0.216 524 G C 1.696 176.615 174.900 0.032 0.000 1.171 524 G CA 0.952 46.066 45.100 0.024 0.000 0.775 524 G HN 0.342 nan 8.290 nan 0.000 0.543 525 K N 0.625 121.048 120.400 0.038 0.000 2.057 525 K HA 0.082 4.365 4.320 -0.062 0.000 0.207 525 K C 2.736 179.395 176.600 0.099 0.000 1.049 525 K CA 1.357 57.688 56.287 0.074 0.000 0.931 525 K CB -0.356 32.209 32.500 0.108 0.000 0.714 525 K HN 0.189 nan 8.250 nan 0.000 0.440 526 A N 1.039 123.897 122.820 0.063 0.000 1.902 526 A HA -0.122 4.160 4.320 -0.062 0.000 0.217 526 A C 2.283 179.910 177.584 0.073 0.000 1.181 526 A CA 1.893 53.985 52.037 0.092 0.000 0.623 526 A CB -0.852 18.069 19.000 -0.132 0.000 0.818 526 A HN 0.316 nan 8.150 nan 0.000 0.443 527 V N -2.329 117.611 119.914 0.044 0.000 2.379 527 V HA -0.255 3.828 4.120 -0.062 0.000 0.245 527 V C 2.335 178.463 176.094 0.056 0.000 1.044 527 V CA 2.200 64.531 62.300 0.052 0.000 1.036 527 V CB -1.251 30.599 31.823 0.046 0.000 0.664 527 V HN 0.615 nan 8.190 nan 0.000 0.453 528 Q N 1.540 121.372 119.800 0.053 0.000 2.061 528 Q HA -0.200 4.102 4.340 -0.062 0.000 0.204 528 Q C 2.356 178.386 176.000 0.050 0.000 0.984 528 Q CA 2.561 58.393 55.803 0.049 0.000 0.846 528 Q CB -0.220 28.546 28.738 0.046 0.000 0.902 528 Q HN 0.899 nan 8.270 nan 0.000 0.421 529 S N -1.739 113.998 115.700 0.060 0.000 2.555 529 S HA 0.101 4.534 4.470 -0.062 0.000 0.230 529 S C 1.426 176.059 174.600 0.054 0.000 0.978 529 S CA 0.677 58.910 58.200 0.055 0.000 0.934 529 S CB 0.266 63.503 63.200 0.062 0.000 0.766 529 S HN 0.678 nan 8.310 nan 0.000 0.533 530 G N 1.190 110.027 108.800 0.061 0.000 2.234 530 G HA2 -0.320 3.603 3.960 -0.062 0.000 0.260 530 G HA3 -0.320 3.603 3.960 -0.062 0.000 0.260 530 G C -0.029 174.913 174.900 0.069 0.000 0.987 530 G CA 0.198 45.334 45.100 0.060 0.000 0.625 530 G HN 0.723 nan 8.290 nan 0.000 0.532 531 N N -0.192 118.555 118.700 0.079 0.000 2.437 531 N HA 0.531 5.234 4.740 -0.062 0.000 0.259 531 N C -0.472 175.115 175.510 0.128 0.000 0.983 531 N CA -0.337 52.764 53.050 0.086 0.000 0.937 531 N CB 1.523 40.045 38.487 0.058 0.000 1.122 531 N HN 0.144 nan 8.380 nan 0.000 0.499 532 V N 2.704 122.683 119.914 0.108 0.000 2.289 532 V HA 0.425 4.508 4.120 -0.062 0.000 0.272 532 V C -0.376 175.754 176.094 0.060 0.000 1.026 532 V CA -0.546 61.804 62.300 0.083 0.000 0.807 532 V CB 0.435 32.313 31.823 0.092 0.000 1.044 532 V HN 0.689 nan 8.190 nan 0.000 0.443 533 E N 6.427 126.653 120.200 0.043 0.000 2.383 533 E HA 0.640 4.953 4.350 -0.062 0.000 0.275 533 E C -2.853 173.716 176.600 -0.052 0.000 0.918 533 E CA -1.843 54.570 56.400 0.022 0.000 0.764 533 E CB 3.382 33.121 29.700 0.065 0.000 1.252 533 E HN 0.339 nan 8.360 nan 0.000 0.449 534 P HA 0.087 nan 4.420 nan 0.000 0.273 534 P C -0.911 176.504 177.300 0.192 0.000 1.250 534 P CA -0.126 63.029 63.100 0.091 0.000 0.793 534 P CB 0.502 32.403 31.700 0.335 0.000 1.011 535 E N 0.790 121.159 120.200 0.283 0.000 2.223 535 E HA 0.182 4.495 4.350 -0.062 0.000 0.282 535 E C -0.274 176.574 176.600 0.413 0.000 1.046 535 E CA -0.228 56.320 56.400 0.246 0.000 0.857 535 E CB 0.480 30.350 29.700 0.284 0.000 1.055 535 E HN 0.272 nan 8.360 nan 0.000 0.409 536 K N 1.646 122.239 120.400 0.322 0.000 2.221 536 K HA 0.680 4.963 4.320 -0.062 0.000 0.258 536 K C -0.856 175.966 176.600 0.371 0.000 0.944 536 K CA -0.651 55.826 56.287 0.316 0.000 0.823 536 K CB 2.015 34.630 32.500 0.192 0.000 1.113 536 K HN 0.468 nan 8.250 nan 0.000 0.431 537 A N 2.374 125.343 122.820 0.249 0.000 2.454 537 A HA 0.755 5.038 4.320 -0.062 0.000 0.302 537 A C -1.327 176.298 177.584 0.069 0.000 1.079 537 A CA -0.755 51.383 52.037 0.168 0.000 0.731 537 A CB 1.572 20.541 19.000 -0.053 0.000 1.299 537 A HN 0.683 nan 8.150 nan 0.000 0.413 538 R N 0.504 121.042 120.500 0.063 0.000 2.502 538 R HA 0.642 4.945 4.340 -0.062 0.000 0.300 538 R C -1.187 175.068 176.300 -0.074 0.000 0.984 538 R CA 0.180 56.251 56.100 -0.048 0.000 0.882 538 R CB 1.629 31.936 30.300 0.011 0.000 1.180 538 R HN 0.719 nan 8.270 nan 0.000 0.444 539 T N 3.590 118.010 114.554 -0.223 0.000 2.888 539 T HA 0.585 4.898 4.350 -0.062 0.000 0.284 539 T C -1.286 173.229 174.700 -0.309 0.000 1.017 539 T CA -0.353 61.675 62.100 -0.120 0.000 1.022 539 T CB 0.715 69.548 68.868 -0.059 0.000 1.013 539 T HN 0.450 nan 8.240 nan 0.000 0.465 540 W N 1.056 122.424 121.300 0.113 0.000 2.998 540 W HA 0.593 5.216 4.660 -0.062 0.000 0.335 540 W C -0.109 176.500 176.519 0.151 0.000 1.110 540 W CA -0.738 56.673 57.345 0.110 0.000 1.230 540 W CB 1.257 30.770 29.460 0.088 0.000 1.405 540 W HN 0.541 nan 8.180 nan 0.000 0.493 541 E N 2.536 122.954 120.200 0.364 0.000 2.367 541 E HA 0.763 5.076 4.350 -0.062 0.000 0.273 541 E C -1.422 175.342 176.600 0.274 0.000 0.903 541 E CA -1.230 55.377 56.400 0.344 0.000 0.764 541 E CB 2.971 32.904 29.700 0.389 0.000 1.252 541 E HN 0.323 nan 8.360 nan 0.000 0.446 542 L N 0.809 122.123 121.223 0.152 0.000 2.493 542 L HA 0.771 5.074 4.340 -0.062 0.000 0.265 542 L C -0.316 176.369 176.870 -0.307 0.000 0.954 542 L CA -0.556 54.239 54.840 -0.075 0.000 0.844 542 L CB 2.303 44.345 42.059 -0.030 0.000 1.302 542 L HN 0.805 nan 8.230 nan 0.000 0.405 543 G N 0.237 108.539 108.800 -0.830 0.000 2.441 543 G HA2 0.529 4.452 3.960 -0.062 0.000 0.294 543 G HA3 0.529 4.452 3.960 -0.062 0.000 0.294 543 G C -1.880 172.572 174.900 -0.746 0.000 1.393 543 G CA -0.269 44.360 45.100 -0.785 0.000 0.796 543 G HN 0.450 nan 8.290 nan 0.000 0.494 544 T N -1.016 113.408 114.554 -0.217 0.000 2.894 544 T HA 0.725 5.038 4.350 -0.062 0.000 0.309 544 T C -1.193 173.647 174.700 0.233 0.000 1.208 544 T CA -0.606 61.535 62.100 0.070 0.000 1.016 544 T CB 1.866 70.892 68.868 0.263 0.000 1.192 544 T HN 0.700 nan 8.240 nan 0.000 0.491 545 R N 2.278 122.953 120.500 0.293 0.000 2.686 545 R HA 0.641 4.943 4.340 -0.062 0.000 0.283 545 R C -2.105 174.470 176.300 0.459 0.000 0.978 545 R CA -0.748 55.526 56.100 0.291 0.000 0.897 545 R CB 1.798 32.176 30.300 0.131 0.000 1.192 545 R HN 0.741 nan 8.270 nan 0.000 0.457 546 Y N 2.016 122.474 120.300 0.263 0.000 2.504 546 Y HA 0.377 4.889 4.550 -0.062 0.000 0.344 546 Y C -1.619 174.350 175.900 0.115 0.000 1.023 546 Y CA -0.663 57.525 58.100 0.147 0.000 1.020 546 Y CB 2.116 40.400 38.460 -0.295 0.000 1.282 546 Y HN 0.604 nan 8.280 nan 0.000 0.454 547 D N 4.139 124.208 120.400 -0.551 0.000 2.333 547 D HA 0.131 4.733 4.640 -0.062 0.000 0.225 547 D C -1.218 174.720 176.300 -0.603 0.000 1.345 547 D CA -0.355 53.380 54.000 -0.440 0.000 0.971 547 D CB 0.712 41.263 40.800 -0.415 0.000 1.451 547 D HN 0.738 nan 8.370 nan 0.000 0.561 548 D N 2.205 122.338 120.400 -0.446 0.000 2.424 548 D HA 0.309 4.911 4.640 -0.062 0.000 0.220 548 D C 1.466 177.707 176.300 -0.099 0.000 1.150 548 D CA 0.353 54.195 54.000 -0.263 0.000 0.831 548 D CB 0.316 41.061 40.800 -0.091 0.000 0.981 548 D HN 0.601 nan 8.370 nan 0.000 0.500 549 G N 0.173 108.918 108.800 -0.093 0.000 2.383 549 G HA2 -0.350 3.573 3.960 -0.062 0.000 0.229 549 G HA3 -0.350 3.573 3.960 -0.062 0.000 0.229 549 G C 1.266 176.170 174.900 0.008 0.000 1.089 549 G CA 0.273 45.344 45.100 -0.048 0.000 0.640 549 G HN 0.836 nan 8.290 nan 0.000 0.510 550 A N -0.587 122.271 122.820 0.063 0.000 2.063 550 A HA 0.738 5.021 4.320 -0.062 0.000 0.211 550 A C 0.942 178.682 177.584 0.260 0.000 1.177 550 A CA 1.335 53.428 52.037 0.092 0.000 0.759 550 A CB 0.286 19.353 19.000 0.112 0.000 0.857 550 A HN 1.104 nan 8.150 nan 0.000 0.468 551 L N 1.579 122.983 121.223 0.302 0.000 2.409 551 L HA 0.523 4.826 4.340 -0.062 0.000 0.272 551 L C -1.180 175.840 176.870 0.251 0.000 0.980 551 L CA -0.199 54.852 54.840 0.352 0.000 0.826 551 L CB 2.138 44.359 42.059 0.271 0.000 1.268 551 L HN 0.291 nan 8.230 nan 0.000 0.407 552 T N 1.660 116.335 114.554 0.201 0.000 2.861 552 T HA 0.920 5.232 4.350 -0.062 0.000 0.287 552 T C -0.572 174.228 174.700 0.167 0.000 1.003 552 T CA -0.495 61.704 62.100 0.166 0.000 0.977 552 T CB 2.239 71.166 68.868 0.098 0.000 0.996 552 T HN 0.894 nan 8.240 nan 0.000 0.448 553 A N 2.482 125.413 122.820 0.184 0.000 2.601 553 A HA 0.886 5.169 4.320 -0.062 0.000 0.291 553 A C -1.228 176.449 177.584 0.154 0.000 1.075 553 A CA -1.061 51.052 52.037 0.126 0.000 0.671 553 A CB 1.616 20.634 19.000 0.030 0.000 1.277 553 A HN 1.221 nan 8.150 nan 0.000 0.417 554 E N -0.139 120.140 120.200 0.131 0.000 2.407 554 E HA 0.723 5.035 4.350 -0.062 0.000 0.279 554 E C -1.295 175.386 176.600 0.135 0.000 1.012 554 E CA -0.829 55.666 56.400 0.158 0.000 0.800 554 E CB 1.817 31.623 29.700 0.177 0.000 1.276 554 E HN 1.001 nan 8.360 nan 0.000 0.452 555 M N 1.409 121.093 119.600 0.139 0.000 2.325 555 M HA 0.598 5.041 4.480 -0.062 0.000 0.285 555 M C -1.891 174.473 176.300 0.107 0.000 1.119 555 M CA -0.096 55.278 55.300 0.122 0.000 0.959 555 M CB 2.237 34.891 32.600 0.090 0.000 1.737 555 M HN 0.829 nan 8.290 nan 0.000 0.486 556 G N 3.978 112.863 108.800 0.141 0.000 2.690 556 G HA2 0.763 4.685 3.960 -0.062 0.000 0.291 556 G HA3 0.763 4.685 3.960 -0.062 0.000 0.291 556 G C -2.124 172.869 174.900 0.156 0.000 1.403 556 G CA -0.767 44.412 45.100 0.131 0.000 0.864 556 G HN 0.728 nan 8.290 nan 0.000 0.480 557 L N -0.062 121.234 121.223 0.121 0.000 2.322 557 L HA 0.821 5.124 4.340 -0.062 0.000 0.269 557 L C -0.633 176.360 176.870 0.204 0.000 1.012 557 L CA -0.998 53.885 54.840 0.071 0.000 0.815 557 L CB 2.053 44.108 42.059 -0.007 0.000 1.295 557 L HN 0.689 nan 8.230 nan 0.000 0.438 558 F N 1.324 121.342 119.950 0.113 0.000 2.645 558 F HA 0.814 5.304 4.527 -0.062 0.000 0.310 558 F C -1.682 174.204 175.800 0.143 0.000 1.102 558 F CA -1.311 56.769 58.000 0.134 0.000 0.952 558 F CB 1.558 40.620 39.000 0.103 0.000 1.326 558 F HN 0.225 nan 8.300 nan 0.000 0.456 559 L N 3.530 125.021 121.223 0.446 0.000 2.505 559 L HA 0.762 5.065 4.340 -0.062 0.000 0.266 559 L C -1.985 175.152 176.870 0.446 0.000 0.954 559 L CA -0.698 54.362 54.840 0.366 0.000 0.852 559 L CB 1.888 44.108 42.059 0.269 0.000 1.282 559 L HN 0.739 nan 8.230 nan 0.000 0.403 560 I N 4.645 125.462 120.570 0.413 0.000 2.466 560 I HA 0.453 4.586 4.170 -0.062 0.000 0.289 560 I C -0.719 175.598 176.117 0.334 0.000 1.026 560 I CA -0.616 60.868 61.300 0.307 0.000 1.078 560 I CB 1.956 40.065 38.000 0.180 0.000 1.249 560 I HN 0.557 nan 8.210 nan 0.000 0.429 561 N N 5.955 124.831 118.700 0.293 0.000 2.476 561 N HA 0.335 5.038 4.740 -0.062 0.000 0.257 561 N C -1.503 174.204 175.510 0.328 0.000 0.970 561 N CA -0.315 52.909 53.050 0.291 0.000 0.938 561 N CB 2.066 40.707 38.487 0.256 0.000 1.144 561 N HN 0.338 nan 8.380 nan 0.000 0.500 562 F N 2.971 123.006 119.950 0.143 0.000 2.347 562 F HA 0.446 4.936 4.527 -0.063 0.000 0.366 562 F C -0.438 175.405 175.800 0.072 0.000 1.107 562 F CA -1.296 56.760 58.000 0.093 0.000 1.058 562 F CB 0.141 39.192 39.000 0.084 0.000 1.236 562 F HN 0.277 nan 8.300 nan 0.000 0.456 563 N N 2.652 121.444 118.700 0.153 0.000 2.518 563 N HA 0.299 5.002 4.740 -0.062 0.000 0.284 563 N C -0.335 175.067 175.510 -0.181 0.000 1.230 563 N CA -0.865 52.159 53.050 -0.043 0.000 0.941 563 N CB 0.540 39.052 38.487 0.042 0.000 1.219 563 N HN 0.531 nan 8.380 nan 0.000 0.560 564 N N -0.240 118.339 118.700 -0.202 0.000 2.727 564 N HA -0.232 4.470 4.740 -0.062 0.000 0.249 564 N C -1.364 173.876 175.510 -0.450 0.000 1.048 564 N CA 0.543 53.420 53.050 -0.288 0.000 0.714 564 N CB -0.885 37.490 38.487 -0.187 0.000 0.959 564 N HN 0.526 nan 8.380 nan 0.000 0.544 565 Q N -0.441 119.063 119.800 -0.493 0.000 2.304 565 Q HA 0.091 4.394 4.340 -0.062 0.000 0.260 565 Q C 0.548 176.313 176.000 -0.391 0.000 0.965 565 Q CA -0.329 55.185 55.803 -0.481 0.000 0.898 565 Q CB 0.383 28.768 28.738 -0.588 0.000 1.196 565 Q HN 0.432 nan 8.270 nan 0.000 0.402 566 Y N 0.190 120.411 120.300 -0.132 0.000 2.421 566 Y HA -0.114 4.399 4.550 -0.062 0.000 0.292 566 Y C 0.359 176.219 175.900 -0.065 0.000 1.136 566 Y CA 0.678 58.728 58.100 -0.083 0.000 1.255 566 Y CB 0.490 38.910 38.460 -0.066 0.000 0.991 566 Y HN 0.501 nan 8.280 nan 0.000 0.552 567 D N 0.330 120.741 120.400 0.017 0.000 2.365 567 D HA 0.042 4.645 4.640 -0.062 0.000 0.237 567 D C -0.118 176.156 176.300 -0.044 0.000 1.190 567 D CA 0.072 54.076 54.000 0.007 0.000 0.867 567 D CB 1.244 42.053 40.800 0.014 0.000 1.050 567 D HN -0.020 nan 8.370 nan 0.000 0.491 568 S N 2.121 117.803 115.700 -0.030 0.000 2.585 568 S HA 0.057 4.490 4.470 -0.062 0.000 0.273 568 S C 0.924 175.509 174.600 -0.026 0.000 1.339 568 S CA -0.344 57.830 58.200 -0.043 0.000 1.028 568 S CB 0.542 63.726 63.200 -0.027 0.000 0.906 568 S HN 0.288 nan 8.310 nan 0.000 0.528 569 N N 1.727 120.406 118.700 -0.035 0.000 2.270 569 N HA 0.148 4.851 4.740 -0.062 0.000 0.198 569 N C 0.016 175.510 175.510 -0.027 0.000 1.117 569 N CA -0.074 52.958 53.050 -0.030 0.000 0.845 569 N CB 0.303 38.764 38.487 -0.043 0.000 0.980 569 N HN 0.586 nan 8.380 nan 0.000 0.486 570 Q N -0.357 119.434 119.800 -0.015 0.000 2.382 570 Q HA 0.075 4.378 4.340 -0.062 0.000 0.229 570 Q C 1.406 177.405 176.000 -0.002 0.000 1.006 570 Q CA 0.229 56.026 55.803 -0.010 0.000 0.916 570 Q CB 0.729 29.465 28.738 -0.003 0.000 1.235 570 Q HN 0.332 nan 8.270 nan 0.000 0.512 571 T N -2.020 112.533 114.554 -0.002 0.000 2.915 571 T HA -0.108 4.205 4.350 -0.062 0.000 0.269 571 T C 0.531 175.253 174.700 0.037 0.000 1.071 571 T CA 0.936 63.045 62.100 0.015 0.000 1.132 571 T CB -0.097 68.777 68.868 0.010 0.000 0.878 571 T HN 0.656 nan 8.240 nan 0.000 0.479 572 N N 1.398 120.113 118.700 0.025 0.000 2.483 572 N HA 0.226 4.929 4.740 -0.062 0.000 0.267 572 N C -1.858 173.665 175.510 0.022 0.000 0.998 572 N CA -0.669 52.397 53.050 0.028 0.000 0.918 572 N CB 1.522 40.022 38.487 0.021 0.000 1.215 572 N HN 0.139 nan 8.380 nan 0.000 0.500 573 D N 1.747 122.164 120.400 0.028 0.000 2.350 573 D HA 0.200 4.803 4.640 -0.062 0.000 0.249 573 D C -0.329 175.984 176.300 0.022 0.000 1.119 573 D CA 0.409 54.423 54.000 0.024 0.000 0.886 573 D CB 1.202 42.021 40.800 0.033 0.000 1.195 573 D HN 0.693 nan 8.370 nan 0.000 0.437 574 T N -0.665 113.899 114.554 0.016 0.000 2.916 574 T HA 0.207 4.520 4.350 -0.062 0.000 0.292 574 T C 1.118 175.830 174.700 0.022 0.000 1.064 574 T CA -0.806 61.304 62.100 0.017 0.000 1.011 574 T CB 1.255 70.129 68.868 0.010 0.000 1.152 574 T HN 0.087 nan 8.240 nan 0.000 0.510 575 V N 1.553 121.483 119.914 0.027 0.000 2.380 575 V HA -0.152 3.931 4.120 -0.062 0.000 0.251 575 V C 2.641 178.754 176.094 0.032 0.000 1.063 575 V CA 2.992 65.314 62.300 0.037 0.000 1.055 575 V CB -0.958 30.887 31.823 0.036 0.000 0.657 575 V HN 1.165 nan 8.190 nan 0.000 0.455 576 T N -1.956 112.606 114.554 0.014 0.000 3.065 576 T HA 0.386 4.699 4.350 -0.062 0.000 0.252 576 T C 0.782 175.465 174.700 -0.028 0.000 1.099 576 T CA 0.515 62.614 62.100 -0.002 0.000 1.063 576 T CB -0.143 68.724 68.868 -0.002 0.000 0.948 576 T HN 0.577 nan 8.240 nan 0.000 0.506 577 A N 2.161 124.966 122.820 -0.026 0.000 2.445 577 A HA 0.588 4.871 4.320 -0.062 0.000 0.242 577 A C 0.263 177.792 177.584 -0.091 0.000 1.075 577 A CA -0.383 51.627 52.037 -0.045 0.000 0.777 577 A CB 0.246 19.230 19.000 -0.028 0.000 1.013 577 A HN 0.304 nan 8.150 nan 0.000 0.493 578 R N 0.962 121.391 120.500 -0.118 0.000 2.574 578 R HA 0.437 4.740 4.340 -0.062 0.000 0.288 578 R C 0.171 176.373 176.300 -0.164 0.000 1.004 578 R CA -0.195 55.787 56.100 -0.197 0.000 0.895 578 R CB 1.658 31.816 30.300 -0.237 0.000 1.191 578 R HN 0.942 nan 8.270 nan 0.000 0.444 579 G N 1.428 110.111 108.800 -0.195 0.000 2.483 579 G HA2 0.283 4.206 3.960 -0.062 0.000 0.248 579 G HA3 0.283 4.206 3.960 -0.062 0.000 0.248 579 G C -0.612 174.169 174.900 -0.199 0.000 1.248 579 G CA -0.122 44.877 45.100 -0.168 0.000 0.838 579 G HN 0.398 nan 8.290 nan 0.000 0.566 580 K N 0.230 120.561 120.400 -0.116 0.000 2.581 580 K HA 0.537 4.819 4.320 -0.062 0.000 0.249 580 K C -0.744 175.846 176.600 -0.016 0.000 0.966 580 K CA -0.636 55.609 56.287 -0.070 0.000 0.811 580 K CB 1.604 34.096 32.500 -0.015 0.000 1.223 580 K HN 0.712 nan 8.250 nan 0.000 0.438 581 T N 0.575 115.159 114.554 0.050 0.000 2.896 581 T HA 0.563 4.876 4.350 -0.062 0.000 0.297 581 T C -0.988 173.789 174.700 0.128 0.000 1.108 581 T CA -1.016 61.114 62.100 0.051 0.000 1.004 581 T CB 1.798 70.730 68.868 0.106 0.000 1.159 581 T HN 0.647 nan 8.240 nan 0.000 0.499 582 R N 0.718 121.187 120.500 -0.051 0.000 2.561 582 R HA 0.484 4.787 4.340 -0.062 0.000 0.297 582 R C -1.231 174.987 176.300 -0.136 0.000 0.969 582 R CA -0.694 55.441 56.100 0.058 0.000 0.879 582 R CB 1.127 31.450 30.300 0.038 0.000 1.178 582 R HN 0.887 nan 8.270 nan 0.000 0.445 583 H N 3.127 122.294 119.070 0.162 0.000 2.727 583 H HA 0.314 4.832 4.556 -0.062 0.000 0.330 583 H C -0.689 174.825 175.328 0.309 0.000 0.986 583 H CA -0.798 55.387 56.048 0.228 0.000 1.251 583 H CB 2.077 31.987 29.762 0.247 0.000 1.493 583 H HN 0.758 nan 8.280 nan 0.000 0.515 584 T N 0.699 115.343 114.554 0.151 0.000 2.906 584 T HA 0.808 5.121 4.350 -0.062 0.000 0.295 584 T C 0.373 174.664 174.700 -0.682 0.000 1.075 584 T CA -0.638 61.294 62.100 -0.280 0.000 1.005 584 T CB 2.888 71.674 68.868 -0.136 0.000 1.136 584 T HN 0.823 nan 8.240 nan 0.000 0.498 585 G N 0.076 108.132 108.800 -1.241 0.000 2.323 585 G HA2 0.467 4.390 3.960 -0.062 0.000 0.291 585 G HA3 0.467 4.390 3.960 -0.062 0.000 0.291 585 G C -2.367 172.219 174.900 -0.524 0.000 1.278 585 G CA -0.596 44.089 45.100 -0.692 0.000 0.860 585 G HN 1.123 nan 8.290 nan 0.000 0.504 586 L N 0.002 121.213 121.223 -0.020 0.000 2.410 586 L HA 0.837 5.139 4.340 -0.062 0.000 0.270 586 L C -0.953 176.030 176.870 0.188 0.000 0.983 586 L CA -0.648 54.258 54.840 0.110 0.000 0.822 586 L CB 2.038 44.182 42.059 0.142 0.000 1.285 586 L HN 0.708 nan 8.230 nan 0.000 0.409 587 E N 2.588 122.919 120.200 0.220 0.000 2.238 587 E HA 0.632 4.945 4.350 -0.062 0.000 0.267 587 E C -1.291 175.408 176.600 0.166 0.000 0.887 587 E CA -0.685 55.813 56.400 0.164 0.000 0.769 587 E CB 2.595 32.396 29.700 0.167 0.000 1.187 587 E HN 0.503 nan 8.360 nan 0.000 0.416 588 T N 1.548 116.199 114.554 0.163 0.000 2.840 588 T HA 0.394 4.707 4.350 -0.062 0.000 0.317 588 T C -2.123 172.677 174.700 0.168 0.000 1.401 588 T CA -0.611 61.593 62.100 0.174 0.000 1.028 588 T CB 1.418 70.409 68.868 0.204 0.000 1.317 588 T HN 0.628 nan 8.240 nan 0.000 0.495 589 Q N 1.531 121.418 119.800 0.146 0.000 2.578 589 Q HA 0.803 5.106 4.340 -0.062 0.000 0.284 589 Q C -1.947 174.134 176.000 0.134 0.000 0.960 589 Q CA -1.301 54.590 55.803 0.147 0.000 0.809 589 Q CB 1.564 30.376 28.738 0.124 0.000 1.462 589 Q HN 1.027 nan 8.270 nan 0.000 0.392 590 A N 1.015 123.925 122.820 0.151 0.000 2.612 590 A HA 0.851 5.134 4.320 -0.062 0.000 0.293 590 A C -1.781 175.919 177.584 0.194 0.000 1.075 590 A CA -0.693 51.428 52.037 0.139 0.000 0.680 590 A CB 2.261 21.314 19.000 0.088 0.000 1.279 590 A HN 0.749 nan 8.150 nan 0.000 0.411 591 R N 0.453 121.070 120.500 0.195 0.000 2.621 591 R HA 0.642 4.945 4.340 -0.062 0.000 0.284 591 R C -2.416 174.054 176.300 0.284 0.000 0.998 591 R CA -0.449 55.794 56.100 0.240 0.000 0.895 591 R CB 1.666 32.069 30.300 0.172 0.000 1.195 591 R HN 0.887 nan 8.270 nan 0.000 0.450 592 Y N 2.284 122.646 120.300 0.104 0.000 2.433 592 Y HA 0.248 4.760 4.550 -0.062 0.000 0.337 592 Y C -1.271 174.673 175.900 0.072 0.000 1.026 592 Y CA -1.493 56.650 58.100 0.072 0.000 1.037 592 Y CB 1.874 40.365 38.460 0.051 0.000 1.245 592 Y HN 0.627 nan 8.280 nan 0.000 0.443 593 D N 5.819 125.974 120.400 -0.409 0.000 2.374 593 D HA 0.140 4.743 4.640 -0.062 0.000 0.240 593 D C 0.786 176.720 176.300 -0.610 0.000 1.229 593 D CA 0.321 54.103 54.000 -0.363 0.000 0.895 593 D CB 0.678 41.338 40.800 -0.234 0.000 1.046 593 D HN 0.811 nan 8.370 nan 0.000 0.498 594 L N 2.903 123.928 121.223 -0.332 0.000 2.362 594 L HA 0.007 4.310 4.340 -0.062 0.000 0.219 594 L C 2.330 179.100 176.870 -0.166 0.000 1.134 594 L CA 0.698 55.397 54.840 -0.234 0.000 0.807 594 L CB -0.064 41.952 42.059 -0.071 0.000 0.927 594 L HN 0.463 nan 8.230 nan 0.000 0.447 595 G N -0.175 108.540 108.800 -0.141 0.000 2.535 595 G HA2 -0.237 3.686 3.960 -0.062 0.000 0.218 595 G HA3 -0.237 3.686 3.960 -0.062 0.000 0.218 595 G C 1.629 176.476 174.900 -0.087 0.000 1.122 595 G CA 1.116 46.169 45.100 -0.079 0.000 0.769 595 G HN 0.470 nan 8.290 nan 0.000 0.549 596 T N -1.146 113.317 114.554 -0.152 0.000 3.085 596 T HA 0.165 4.478 4.350 -0.062 0.000 0.263 596 T C 2.159 176.836 174.700 -0.038 0.000 1.127 596 T CA 0.436 62.478 62.100 -0.096 0.000 1.103 596 T CB -0.077 68.716 68.868 -0.125 0.000 0.921 596 T HN 0.239 nan 8.240 nan 0.000 0.510 597 L N 0.153 121.350 121.223 -0.044 0.000 2.298 597 L HA 0.338 4.641 4.340 -0.062 0.000 0.209 597 L C 1.224 178.091 176.870 -0.005 0.000 1.084 597 L CA 0.401 55.243 54.840 0.003 0.000 0.816 597 L CB 0.088 42.161 42.059 0.025 0.000 0.967 597 L HN 0.378 nan 8.230 nan 0.000 0.460 598 T N -2.020 112.523 114.554 -0.018 0.000 3.087 598 T HA 0.250 4.562 4.350 -0.062 0.000 0.351 598 T C -2.528 172.162 174.700 -0.017 0.000 1.520 598 T CA -0.826 61.265 62.100 -0.015 0.000 1.111 598 T CB 1.766 70.623 68.868 -0.017 0.000 1.353 598 T HN -0.312 nan 8.240 nan 0.000 0.481 599 P HA 0.052 nan 4.420 nan 0.000 0.225 599 P C 1.390 178.689 177.300 -0.002 0.000 1.148 599 P CA 0.822 63.921 63.100 -0.001 0.000 0.779 599 P CB 0.083 31.785 31.700 0.003 0.000 0.780 600 T N -0.528 114.017 114.554 -0.016 0.000 2.881 600 T HA -0.053 4.260 4.350 -0.062 0.000 0.270 600 T C 1.120 175.789 174.700 -0.052 0.000 1.068 600 T CA 0.991 63.072 62.100 -0.031 0.000 1.131 600 T CB -0.484 68.359 68.868 -0.042 0.000 0.871 600 T HN 0.160 nan 8.240 nan 0.000 0.479 601 L N 0.942 122.139 121.223 -0.044 0.000 2.928 601 L HA 0.331 4.634 4.340 -0.062 0.000 0.246 601 L C -0.022 176.846 176.870 -0.003 0.000 1.239 601 L CA -0.412 54.393 54.840 -0.057 0.000 1.035 601 L CB 0.048 42.070 42.059 -0.061 0.000 1.360 601 L HN 0.048 nan 8.230 nan 0.000 0.529 602 D N 0.629 121.051 120.400 0.037 0.000 2.443 602 D HA 0.025 4.628 4.640 -0.062 0.000 0.239 602 D C 0.647 177.043 176.300 0.160 0.000 1.136 602 D CA 0.810 54.852 54.000 0.069 0.000 0.879 602 D CB 0.339 41.178 40.800 0.065 0.000 1.195 602 D HN 0.195 nan 8.370 nan 0.000 0.443 603 N N -0.088 118.686 118.700 0.123 0.000 2.828 603 N HA -0.184 4.519 4.740 -0.062 0.000 0.248 603 N C -1.096 174.571 175.510 0.262 0.000 1.044 603 N CA 0.142 53.290 53.050 0.163 0.000 0.851 603 N CB -0.591 37.992 38.487 0.160 0.000 1.136 603 N HN 0.061 nan 8.380 nan 0.000 0.572 604 V N 0.599 120.627 119.914 0.190 0.000 2.370 604 V HA 0.554 4.637 4.120 -0.062 0.000 0.279 604 V C 0.201 176.349 176.094 0.090 0.000 1.029 604 V CA -0.340 62.055 62.300 0.158 0.000 0.870 604 V CB 1.643 33.476 31.823 0.016 0.000 0.984 604 V HN 0.214 nan 8.190 nan 0.000 0.451 605 S N 5.725 121.506 115.700 0.135 0.000 2.513 605 S HA 0.770 5.203 4.470 -0.062 0.000 0.299 605 S C -0.958 173.752 174.600 0.184 0.000 1.087 605 S CA -0.588 57.688 58.200 0.127 0.000 1.012 605 S CB 1.419 64.704 63.200 0.140 0.000 1.044 605 S HN 0.686 nan 8.310 nan 0.000 0.485 606 I N 4.809 125.489 120.570 0.183 0.000 2.569 606 I HA 0.745 4.877 4.170 -0.062 0.000 0.296 606 I C -1.613 174.646 176.117 0.237 0.000 1.028 606 I CA -1.023 60.372 61.300 0.157 0.000 1.082 606 I CB 1.588 39.650 38.000 0.103 0.000 1.264 606 I HN 0.917 nan 8.210 nan 0.000 0.429 607 Y N 5.088 125.461 120.300 0.121 0.000 2.655 607 Y HA 0.934 5.447 4.550 -0.063 0.000 0.336 607 Y C -1.316 174.649 175.900 0.109 0.000 1.154 607 Y CA -0.950 57.216 58.100 0.111 0.000 1.055 607 Y CB 1.214 39.732 38.460 0.097 0.000 1.295 607 Y HN 0.683 nan 8.280 nan 0.000 0.465 608 A N 1.101 124.082 122.820 0.267 0.000 2.605 608 A HA 0.774 5.057 4.320 -0.062 0.000 0.294 608 A C -1.342 176.393 177.584 0.252 0.000 1.062 608 A CA -0.208 51.948 52.037 0.197 0.000 0.682 608 A CB 1.110 20.183 19.000 0.121 0.000 1.278 608 A HN 1.662 nan 8.150 nan 0.000 0.410 609 S N 0.252 116.092 115.700 0.233 0.000 2.549 609 S HA 0.873 5.306 4.470 -0.062 0.000 0.280 609 S C -1.101 173.647 174.600 0.247 0.000 1.109 609 S CA -0.638 57.675 58.200 0.189 0.000 0.905 609 S CB 1.694 64.957 63.200 0.106 0.000 1.081 609 S HN 2.040 nan 8.310 nan 0.000 0.477 610 Y N 0.485 120.841 120.300 0.093 0.000 2.521 610 Y HA 0.649 5.162 4.550 -0.062 0.000 0.328 610 Y C -1.728 174.248 175.900 0.126 0.000 1.151 610 Y CA -0.359 57.820 58.100 0.133 0.000 1.054 610 Y CB 1.245 39.842 38.460 0.227 0.000 1.338 610 Y HN 1.301 nan 8.280 nan 0.000 0.453 611 A N 4.393 126.691 122.820 -0.871 0.000 2.455 611 A HA 0.599 4.882 4.320 -0.062 0.000 0.300 611 A C -2.652 174.414 177.584 -0.864 0.000 1.040 611 A CA -0.614 51.038 52.037 -0.641 0.000 0.697 611 A CB 0.966 19.830 19.000 -0.227 0.000 1.265 611 A HN 0.847 nan 8.150 nan 0.000 0.407 612 Y N 2.515 122.491 120.300 -0.539 0.000 2.331 612 Y HA 0.608 5.121 4.550 -0.062 0.000 0.338 612 Y C -1.158 174.657 175.900 -0.142 0.000 0.976 612 Y CA -0.699 57.227 58.100 -0.290 0.000 1.137 612 Y CB 1.378 39.818 38.460 -0.033 0.000 1.172 612 Y HN 0.457 nan 8.280 nan 0.000 0.478 613 V N 6.461 125.914 119.914 -0.769 0.000 2.483 613 V HA 0.292 4.374 4.120 -0.062 0.000 0.297 613 V C -1.037 174.692 176.094 -0.609 0.000 1.027 613 V CA -0.927 61.129 62.300 -0.408 0.000 0.855 613 V CB 1.678 33.436 31.823 -0.109 0.000 0.995 613 V HN 0.772 nan 8.190 nan 0.000 0.424 614 N N 3.477 121.920 118.700 -0.429 0.000 2.626 614 N HA 0.638 5.341 4.740 -0.062 0.000 0.242 614 N C -0.432 174.980 175.510 -0.163 0.000 1.005 614 N CA -0.151 52.714 53.050 -0.310 0.000 0.905 614 N CB 1.453 39.822 38.487 -0.196 0.000 1.128 614 N HN 0.869 nan 8.380 nan 0.000 0.512 615 A N 3.260 125.977 122.820 -0.172 0.000 2.253 615 A HA 0.429 4.712 4.320 -0.062 0.000 0.316 615 A C -0.240 177.188 177.584 -0.260 0.000 1.327 615 A CA -0.630 51.232 52.037 -0.292 0.000 0.917 615 A CB 0.131 19.021 19.000 -0.184 0.000 1.162 615 A HN 0.714 nan 8.150 nan 0.000 0.535 616 E N 2.720 122.745 120.200 -0.291 0.000 2.244 616 E HA 0.648 4.961 4.350 -0.062 0.000 0.266 616 E C -1.229 175.242 176.600 -0.215 0.000 0.914 616 E CA -0.842 55.426 56.400 -0.219 0.000 0.794 616 E CB 1.586 31.172 29.700 -0.190 0.000 1.210 616 E HN 0.482 nan 8.360 nan 0.000 0.414 617 I N 2.215 122.665 120.570 -0.200 0.000 2.312 617 I HA 0.176 4.309 4.170 -0.062 0.000 0.291 617 I C 0.726 176.708 176.117 -0.226 0.000 1.031 617 I CA -0.595 60.606 61.300 -0.164 0.000 1.293 617 I CB 0.660 38.577 38.000 -0.139 0.000 1.403 617 I HN 0.344 nan 8.210 nan 0.000 0.484 618 R N 4.479 124.910 120.500 -0.116 0.000 2.546 618 R HA 0.143 4.446 4.340 -0.062 0.000 0.320 618 R C 0.092 176.528 176.300 0.227 0.000 1.021 618 R CA -0.162 55.918 56.100 -0.033 0.000 1.088 618 R CB -0.040 30.277 30.300 0.029 0.000 1.278 618 R HN 0.607 nan 8.270 nan 0.000 0.557 619 E N 1.946 122.232 120.200 0.143 0.000 2.223 619 E HA 0.085 4.398 4.350 -0.062 0.000 0.282 619 E C -0.790 175.944 176.600 0.223 0.000 1.046 619 E CA -0.465 56.010 56.400 0.125 0.000 0.857 619 E CB 0.640 30.356 29.700 0.027 0.000 1.055 619 E HN -0.257 nan 8.360 nan 0.000 0.409 620 K N 2.650 123.112 120.400 0.104 0.000 2.451 620 K HA 0.419 4.702 4.320 -0.062 0.000 0.280 620 K C 0.177 176.783 176.600 0.011 0.000 1.020 620 K CA 0.923 57.193 56.287 -0.028 0.000 1.008 620 K CB 1.274 33.690 32.500 -0.141 0.000 0.917 620 K HN 0.748 nan 8.250 nan 0.000 0.478 621 G N 1.505 110.320 108.800 0.024 0.000 2.350 621 G HA2 -0.084 3.839 3.960 -0.062 0.000 0.282 621 G HA3 -0.084 3.839 3.960 -0.062 0.000 0.282 621 G C -0.862 174.061 174.900 0.039 0.000 1.314 621 G CA -0.288 44.823 45.100 0.018 0.000 0.915 621 G HN 0.565 nan 8.290 nan 0.000 0.499 622 D N -0.729 119.681 120.400 0.017 0.000 2.392 622 D HA 0.036 4.639 4.640 -0.062 0.000 0.228 622 D C 1.582 177.882 176.300 -0.001 0.000 1.003 622 D CA 1.772 55.777 54.000 0.008 0.000 0.917 622 D CB -0.287 40.510 40.800 -0.004 0.000 0.890 622 D HN 0.922 nan 8.370 nan 0.000 0.532 623 T N -4.973 109.587 114.554 0.010 0.000 3.209 623 T HA 0.096 4.409 4.350 -0.062 0.000 0.295 623 T C 0.066 174.752 174.700 -0.023 0.000 0.977 623 T CA -0.834 61.245 62.100 -0.034 0.000 0.922 623 T CB -1.071 67.757 68.868 -0.067 0.000 1.152 623 T HN 0.078 nan 8.240 nan 0.000 0.527 624 Y N 2.656 122.919 120.300 -0.062 0.000 2.729 624 Y HA 0.360 4.873 4.550 -0.062 0.000 0.331 624 Y C 1.496 177.363 175.900 -0.056 0.000 1.208 624 Y CA 1.351 59.419 58.100 -0.054 0.000 1.521 624 Y CB -0.208 38.227 38.460 -0.042 0.000 1.233 624 Y HN 0.515 nan 8.280 nan 0.000 0.539 625 G N 3.356 111.754 108.800 -0.671 0.000 2.213 625 G HA2 -0.307 3.616 3.960 -0.062 0.000 0.236 625 G HA3 -0.307 3.616 3.960 -0.062 0.000 0.236 625 G C 0.228 174.977 174.900 -0.251 0.000 0.991 625 G CA 0.017 44.850 45.100 -0.446 0.000 0.629 625 G HN 0.634 nan 8.290 nan 0.000 0.517 626 N N 0.105 118.670 118.700 -0.224 0.000 2.381 626 N HA 0.610 5.312 4.740 -0.062 0.000 0.254 626 N C 0.648 176.052 175.510 -0.177 0.000 1.264 626 N CA -0.206 52.723 53.050 -0.201 0.000 0.942 626 N CB 0.380 38.736 38.487 -0.217 0.000 1.190 626 N HN 0.340 nan 8.380 nan 0.000 0.495 627 L N 0.624 121.760 121.223 -0.146 0.000 2.334 627 L HA 0.360 4.663 4.340 -0.062 0.000 0.277 627 L C 0.130 176.948 176.870 -0.086 0.000 1.075 627 L CA -1.043 53.752 54.840 -0.075 0.000 0.804 627 L CB 1.074 43.172 42.059 0.065 0.000 1.174 627 L HN 0.092 nan 8.230 nan 0.000 0.438 628 V N 3.763 123.625 119.914 -0.087 0.000 2.763 628 V HA 0.047 4.129 4.120 -0.062 0.000 0.306 628 V C -1.830 174.235 176.094 -0.050 0.000 1.059 628 V CA -0.837 61.426 62.300 -0.062 0.000 1.138 628 V CB 0.628 32.433 31.823 -0.029 0.000 0.940 628 V HN 0.643 nan 8.190 nan 0.000 0.489 629 P HA 0.256 nan 4.420 nan 0.000 0.272 629 P C -0.270 176.957 177.300 -0.122 0.000 1.230 629 P CA -0.215 62.731 63.100 -0.256 0.000 0.788 629 P CB 0.094 31.560 31.700 -0.390 0.000 0.949 630 F N -1.331 118.633 119.950 0.024 0.000 3.067 630 F HA -0.199 4.291 4.527 -0.061 0.000 0.279 630 F C 0.408 176.202 175.800 -0.010 0.000 0.945 630 F CA 0.886 58.889 58.000 0.005 0.000 0.948 630 F CB -2.589 36.414 39.000 0.004 0.000 0.898 630 F HN 0.174 nan 8.300 nan 0.000 0.746 631 S N 0.874 116.606 115.700 0.053 0.000 2.524 631 S HA 0.572 5.005 4.470 -0.062 0.000 0.227 631 S C -2.393 172.171 174.600 -0.059 0.000 1.304 631 S CA -1.330 56.877 58.200 0.012 0.000 1.185 631 S CB 0.903 64.108 63.200 0.009 0.000 1.104 631 S HN -0.031 nan 8.310 nan 0.000 0.475 632 P HA 0.242 nan 4.420 nan 0.000 0.271 632 P C 0.363 177.562 177.300 -0.168 0.000 1.216 632 P CA -0.281 62.752 63.100 -0.110 0.000 0.771 632 P CB 0.638 32.272 31.700 -0.111 0.000 0.864 633 K N 1.192 121.465 120.400 -0.212 0.000 2.148 633 K HA -0.053 4.230 4.320 -0.062 0.000 0.204 633 K C 0.488 176.750 176.600 -0.565 0.000 1.050 633 K CA 1.012 57.021 56.287 -0.462 0.000 0.942 633 K CB -0.062 32.156 32.500 -0.471 0.000 0.724 633 K HN 0.640 nan 8.250 nan 0.000 0.446 634 H N 0.220 119.288 119.070 -0.002 0.000 2.589 634 H HA 0.383 4.901 4.556 -0.062 0.000 0.351 634 H C -0.945 174.427 175.328 0.073 0.000 1.074 634 H CA -0.580 55.554 56.048 0.143 0.000 1.203 634 H CB 2.059 32.026 29.762 0.341 0.000 1.558 634 H HN -0.101 nan 8.280 nan 0.000 0.522 635 K N 1.817 122.269 120.400 0.088 0.000 2.557 635 K HA 0.536 4.818 4.320 -0.062 0.000 0.257 635 K C -1.134 175.237 176.600 -0.382 0.000 0.933 635 K CA -0.528 55.652 56.287 -0.178 0.000 0.820 635 K CB 2.447 34.818 32.500 -0.215 0.000 1.330 635 K HN 0.877 nan 8.250 nan 0.000 0.432 636 G N 0.541 108.702 108.800 -1.066 0.000 2.428 636 G HA2 0.493 4.416 3.960 -0.062 0.000 0.305 636 G HA3 0.493 4.416 3.960 -0.062 0.000 0.305 636 G C -1.385 172.869 174.900 -1.078 0.000 1.260 636 G CA -0.112 44.468 45.100 -0.866 0.000 0.853 636 G HN 0.758 nan 8.290 nan 0.000 0.480 637 T N -1.992 112.318 114.554 -0.406 0.000 2.853 637 T HA 0.758 5.070 4.350 -0.062 0.000 0.311 637 T C -0.847 173.915 174.700 0.104 0.000 1.307 637 T CA -0.409 61.613 62.100 -0.130 0.000 1.019 637 T CB 1.591 70.465 68.868 0.010 0.000 1.264 637 T HN 1.726 nan 8.240 nan 0.000 0.497 638 L N -1.263 119.959 121.223 -0.002 0.000 2.465 638 L HA 1.041 5.344 4.340 -0.062 0.000 0.257 638 L C -0.250 176.373 176.870 -0.410 0.000 0.988 638 L CA -0.991 53.747 54.840 -0.170 0.000 0.827 638 L CB 1.789 43.823 42.059 -0.041 0.000 1.397 638 L HN 1.243 nan 8.230 nan 0.000 0.410 639 G N 0.037 108.342 108.800 -0.824 0.000 2.506 639 G HA2 0.550 4.472 3.960 -0.062 0.000 0.292 639 G HA3 0.550 4.472 3.960 -0.062 0.000 0.292 639 G C -2.253 172.377 174.900 -0.449 0.000 1.425 639 G CA -0.297 44.419 45.100 -0.641 0.000 0.788 639 G HN 0.918 nan 8.290 nan 0.000 0.490 640 V N 0.141 120.056 119.914 0.002 0.000 2.733 640 V HA 0.696 4.779 4.120 -0.062 0.000 0.306 640 V C -1.789 174.468 176.094 0.271 0.000 1.084 640 V CA -0.870 61.513 62.300 0.139 0.000 0.905 640 V CB 2.100 33.986 31.823 0.105 0.000 1.010 640 V HN 0.706 nan 8.190 nan 0.000 0.424 641 D N 5.657 126.242 120.400 0.309 0.000 2.391 641 D HA 0.354 4.957 4.640 -0.062 0.000 0.245 641 D C -1.557 174.945 176.300 0.336 0.000 1.069 641 D CA 0.070 54.255 54.000 0.309 0.000 0.831 641 D CB 2.070 43.026 40.800 0.260 0.000 1.204 641 D HN 0.601 nan 8.370 nan 0.000 0.503 642 Y N 1.393 121.824 120.300 0.217 0.000 2.331 642 Y HA 0.322 4.834 4.550 -0.062 0.000 0.334 642 Y C -0.711 175.349 175.900 0.267 0.000 0.960 642 Y CA -0.941 57.289 58.100 0.217 0.000 1.130 642 Y CB 1.176 39.763 38.460 0.211 0.000 1.164 642 Y HN 0.122 nan 8.280 nan 0.000 0.458 643 K N 8.557 128.953 120.400 -0.007 0.000 2.682 643 K HA 0.293 4.576 4.320 -0.062 0.000 0.189 643 K C -2.861 173.626 176.600 -0.189 0.000 1.062 643 K CA -1.784 54.434 56.287 -0.116 0.000 0.997 643 K CB 0.850 33.336 32.500 -0.024 0.000 1.405 643 K HN 0.416 nan 8.250 nan 0.000 0.588 644 P HA 0.056 nan 4.420 nan 0.000 0.281 644 P C 0.757 178.074 177.300 0.028 0.000 1.252 644 P CA 0.537 63.538 63.100 -0.166 0.000 0.778 644 P CB 1.522 33.069 31.700 -0.256 0.000 0.895 645 G N 5.188 114.005 108.800 0.029 0.000 2.690 645 G HA2 -0.367 3.556 3.960 -0.062 0.000 0.334 645 G HA3 -0.367 3.556 3.960 -0.062 0.000 0.334 645 G C 0.891 175.732 174.900 -0.098 0.000 1.250 645 G CA 0.462 45.572 45.100 0.017 0.000 0.994 645 G HN 0.588 nan 8.290 nan 0.000 0.549 646 N N 0.715 119.279 118.700 -0.226 0.000 2.280 646 N HA 0.141 4.843 4.740 -0.062 0.000 0.192 646 N C 0.081 175.144 175.510 -0.746 0.000 1.109 646 N CA 0.273 52.955 53.050 -0.614 0.000 0.855 646 N CB 0.186 38.003 38.487 -1.117 0.000 0.974 646 N HN 0.470 nan 8.380 nan 0.000 0.482 647 W N 0.929 121.996 121.300 -0.388 0.000 2.283 647 W HA 0.372 4.994 4.660 -0.063 0.000 0.341 647 W C 0.280 176.526 176.519 -0.455 0.000 1.206 647 W CA -0.163 56.939 57.345 -0.405 0.000 1.294 647 W CB 0.894 30.155 29.460 -0.331 0.000 1.154 647 W HN -0.347 nan 8.180 nan 0.000 0.613 648 T N 2.716 117.093 114.554 -0.296 0.000 2.937 648 T HA 0.476 4.788 4.350 -0.062 0.000 0.297 648 T C -1.527 172.943 174.700 -0.384 0.000 0.991 648 T CA -0.620 61.346 62.100 -0.223 0.000 0.990 648 T CB 0.402 69.203 68.868 -0.111 0.000 0.991 648 T HN -0.004 nan 8.240 nan 0.000 0.440 649 F N 2.637 122.675 119.950 0.146 0.000 2.477 649 F HA 0.515 5.005 4.527 -0.062 0.000 0.335 649 F C 0.467 176.382 175.800 0.192 0.000 1.130 649 F CA -0.918 57.190 58.000 0.179 0.000 0.948 649 F CB 1.456 40.580 39.000 0.207 0.000 1.154 649 F HN 0.428 nan 8.300 nan 0.000 0.439 650 N N 2.970 121.859 118.700 0.315 0.000 2.314 650 N HA 0.734 5.437 4.740 -0.062 0.000 0.304 650 N C -1.884 173.791 175.510 0.275 0.000 1.073 650 N CA -0.796 52.423 53.050 0.282 0.000 0.822 650 N CB 2.490 41.117 38.487 0.235 0.000 1.280 650 N HN 0.421 nan 8.380 nan 0.000 0.489 651 L N 1.822 123.212 121.223 0.278 0.000 2.410 651 L HA 0.614 4.917 4.340 -0.062 0.000 0.270 651 L C -1.566 175.483 176.870 0.298 0.000 0.983 651 L CA -0.338 54.672 54.840 0.285 0.000 0.822 651 L CB 1.583 43.797 42.059 0.257 0.000 1.285 651 L HN 0.904 nan 8.230 nan 0.000 0.409 652 N N 1.703 120.596 118.700 0.322 0.000 2.484 652 N HA 0.737 5.440 4.740 -0.062 0.000 0.269 652 N C -1.820 173.715 175.510 0.041 0.000 1.237 652 N CA -0.773 52.392 53.050 0.192 0.000 0.838 652 N CB 2.064 40.683 38.487 0.219 0.000 1.593 652 N HN 0.470 nan 8.380 nan 0.000 0.485 653 S N 0.034 115.591 115.700 -0.238 0.000 2.536 653 S HA 0.461 4.894 4.470 -0.062 0.000 0.287 653 S C -2.046 172.399 174.600 -0.257 0.000 1.101 653 S CA -0.746 57.117 58.200 -0.561 0.000 0.950 653 S CB 0.909 63.281 63.200 -1.380 0.000 1.056 653 S HN 0.572 nan 8.310 nan 0.000 0.481 654 D N 3.354 123.629 120.400 -0.209 0.000 2.505 654 D HA 0.578 5.181 4.640 -0.062 0.000 0.249 654 D C -0.921 175.313 176.300 -0.109 0.000 1.082 654 D CA -0.069 53.826 54.000 -0.175 0.000 0.839 654 D CB 1.584 42.336 40.800 -0.079 0.000 1.317 654 D HN 0.485 nan 8.370 nan 0.000 0.497 655 F N -0.374 119.464 119.950 -0.185 0.000 2.613 655 F HA 0.589 5.079 4.527 -0.062 0.000 0.310 655 F C -1.134 174.466 175.800 -0.334 0.000 1.085 655 F CA -1.001 56.837 58.000 -0.270 0.000 0.945 655 F CB 1.585 40.462 39.000 -0.205 0.000 1.298 655 F HN 0.237 nan 8.300 nan 0.000 0.455 656 Q N 0.811 120.422 119.800 -0.314 0.000 2.527 656 Q HA 0.611 4.913 4.340 -0.062 0.000 0.280 656 Q C -1.598 174.233 176.000 -0.282 0.000 0.977 656 Q CA -0.945 54.676 55.803 -0.303 0.000 0.837 656 Q CB 1.925 30.367 28.738 -0.494 0.000 1.454 656 Q HN 0.943 nan 8.270 nan 0.000 0.387 657 S N 0.745 116.391 115.700 -0.091 0.000 2.646 657 S HA 0.607 5.040 4.470 -0.062 0.000 0.273 657 S C 0.474 174.987 174.600 -0.145 0.000 1.168 657 S CA -0.068 58.095 58.200 -0.063 0.000 1.013 657 S CB 0.819 64.089 63.200 0.117 0.000 1.098 657 S HN 0.936 nan 8.310 nan 0.000 0.544 658 S N -0.124 115.498 115.700 -0.129 0.000 2.596 658 S HA 0.405 4.838 4.470 -0.062 0.000 0.260 658 S C -0.295 174.173 174.600 -0.221 0.000 1.336 658 S CA -0.622 57.467 58.200 -0.185 0.000 0.993 658 S CB -0.247 62.818 63.200 -0.226 0.000 0.923 658 S HN 0.994 nan 8.310 nan 0.000 0.567 659 Q N -0.445 119.189 119.800 -0.276 0.000 2.482 659 Q HA 0.592 4.894 4.340 -0.062 0.000 0.286 659 Q C -1.883 173.873 176.000 -0.407 0.000 1.007 659 Q CA -0.897 54.737 55.803 -0.281 0.000 0.801 659 Q CB 0.732 29.398 28.738 -0.119 0.000 1.455 659 Q HN 0.555 nan 8.270 nan 0.000 0.398 660 F N 0.245 120.048 119.950 -0.245 0.000 2.403 660 F HA 0.621 5.110 4.527 -0.063 0.000 0.326 660 F C 0.913 176.354 175.800 -0.598 0.000 1.081 660 F CA -0.114 57.705 58.000 -0.302 0.000 1.041 660 F CB 1.817 40.663 39.000 -0.257 0.000 1.234 660 F HN 0.893 nan 8.300 nan 0.000 0.503 661 A N 0.302 122.940 122.820 -0.303 0.000 2.220 661 A HA 0.207 4.490 4.320 -0.062 0.000 0.211 661 A C -0.341 176.854 177.584 -0.649 0.000 1.176 661 A CA 0.389 52.039 52.037 -0.646 0.000 0.834 661 A CB -0.541 18.416 19.000 -0.072 0.000 0.868 661 A HN 0.680 nan 8.150 nan 0.000 0.488 662 D N -2.888 117.187 120.400 -0.542 0.000 2.570 662 D HA 0.162 4.765 4.640 -0.062 0.000 0.244 662 D C -0.235 175.821 176.300 -0.406 0.000 1.178 662 D CA -0.814 52.781 54.000 -0.675 0.000 0.881 662 D CB 0.087 40.289 40.800 -0.997 0.000 1.453 662 D HN -0.176 nan 8.370 nan 0.000 0.447 663 N N 0.139 118.650 118.700 -0.314 0.000 2.272 663 N HA -0.101 4.602 4.740 -0.062 0.000 0.185 663 N C 1.528 176.897 175.510 -0.236 0.000 1.014 663 N CA 1.524 54.447 53.050 -0.212 0.000 0.870 663 N CB -0.322 38.091 38.487 -0.123 0.000 0.975 663 N HN 0.645 nan 8.380 nan 0.000 0.433 664 A N 0.485 123.160 122.820 -0.243 0.000 2.168 664 A HA -0.004 4.279 4.320 -0.062 0.000 0.215 664 A C 0.427 177.795 177.584 -0.359 0.000 1.152 664 A CA 0.158 52.060 52.037 -0.225 0.000 0.716 664 A CB -0.623 18.291 19.000 -0.144 0.000 0.794 664 A HN 0.489 nan 8.150 nan 0.000 0.465 665 N N 0.397 118.790 118.700 -0.513 0.000 2.738 665 N HA -0.145 4.558 4.740 -0.062 0.000 0.249 665 N C -0.064 175.019 175.510 -0.713 0.000 1.047 665 N CA 0.418 52.823 53.050 -1.075 0.000 0.707 665 N CB -1.527 36.071 38.487 -1.482 0.000 0.937 665 N HN 0.720 nan 8.380 nan 0.000 0.545 666 T N -2.990 111.412 114.554 -0.254 0.000 2.888 666 T HA 0.300 4.612 4.350 -0.062 0.000 0.301 666 T C 1.327 176.117 174.700 0.149 0.000 1.001 666 T CA -0.671 61.397 62.100 -0.054 0.000 1.147 666 T CB 1.747 70.615 68.868 -0.001 0.000 0.931 666 T HN 0.015 nan 8.240 nan 0.000 0.541 667 V N 1.842 121.861 119.914 0.176 0.000 2.426 667 V HA 0.140 4.223 4.120 -0.062 0.000 0.242 667 V C 1.467 177.654 176.094 0.155 0.000 1.036 667 V CA 0.984 63.439 62.300 0.259 0.000 1.044 667 V CB -0.495 31.453 31.823 0.208 0.000 0.688 667 V HN 0.760 nan 8.190 nan 0.000 0.462 668 K N 1.589 122.054 120.400 0.108 0.000 2.298 668 K HA 0.120 4.402 4.320 -0.062 0.000 0.280 668 K C 0.177 176.829 176.600 0.086 0.000 1.032 668 K CA 0.108 56.446 56.287 0.084 0.000 0.958 668 K CB 0.419 32.956 32.500 0.062 0.000 0.978 668 K HN 0.392 nan 8.250 nan 0.000 0.472 669 E N 2.151 122.398 120.200 0.078 0.000 2.344 669 E HA 0.045 4.358 4.350 -0.062 0.000 0.270 669 E C -0.696 175.936 176.600 0.052 0.000 1.021 669 E CA -0.296 56.145 56.400 0.069 0.000 0.887 669 E CB 0.537 30.260 29.700 0.038 0.000 0.997 669 E HN 0.684 nan 8.360 nan 0.000 0.429 670 S N 3.014 118.751 115.700 0.063 0.000 2.603 670 S HA 0.302 4.735 4.470 -0.062 0.000 0.268 670 S C 1.057 175.672 174.600 0.026 0.000 1.317 670 S CA -0.257 57.974 58.200 0.053 0.000 1.012 670 S CB 1.732 64.978 63.200 0.077 0.000 0.926 670 S HN 0.641 nan 8.310 nan 0.000 0.539 671 A N 1.364 124.195 122.820 0.019 0.000 1.972 671 A HA -0.104 4.178 4.320 -0.062 0.000 0.219 671 A C 1.655 179.238 177.584 -0.003 0.000 1.169 671 A CA 1.598 53.638 52.037 0.005 0.000 0.635 671 A CB -1.067 17.937 19.000 0.007 0.000 0.810 671 A HN 0.976 nan 8.150 nan 0.000 0.446 672 D N -1.702 118.702 120.400 0.007 0.000 2.363 672 D HA 0.230 4.833 4.640 -0.062 0.000 0.226 672 D C 1.202 177.503 176.300 0.001 0.000 1.020 672 D CA 0.862 54.864 54.000 0.003 0.000 0.892 672 D CB -0.861 39.945 40.800 0.010 0.000 0.900 672 D HN 0.722 nan 8.370 nan 0.000 0.531 673 G N 0.290 109.087 108.800 -0.005 0.000 2.175 673 G HA2 -0.395 3.528 3.960 -0.062 0.000 0.265 673 G HA3 -0.395 3.528 3.960 -0.062 0.000 0.265 673 G C 1.204 176.144 174.900 0.067 0.000 0.979 673 G CA 1.139 46.225 45.100 -0.024 0.000 0.663 673 G HN 0.703 nan 8.290 nan 0.000 0.533 674 S N -1.332 114.438 115.700 0.117 0.000 2.461 674 S HA 0.316 4.749 4.470 -0.062 0.000 0.228 674 S C 1.116 175.923 174.600 0.345 0.000 1.005 674 S CA 1.667 59.993 58.200 0.211 0.000 0.942 674 S CB 0.210 63.484 63.200 0.124 0.000 0.776 674 S HN 1.866 nan 8.310 nan 0.000 0.514 675 T N -1.579 113.139 114.554 0.274 0.000 2.883 675 T HA 0.652 4.965 4.350 -0.062 0.000 0.296 675 T C -0.235 174.572 174.700 0.178 0.000 1.117 675 T CA 0.087 62.346 62.100 0.266 0.000 1.006 675 T CB 1.390 70.440 68.868 0.303 0.000 1.191 675 T HN 1.468 nan 8.240 nan 0.000 0.508 676 G N 1.367 110.263 108.800 0.160 0.000 2.428 676 G HA2 0.202 4.124 3.960 -0.062 0.000 0.681 676 G HA3 0.202 4.124 3.960 -0.062 0.000 0.681 676 G C -0.708 174.296 174.900 0.173 0.000 1.340 676 G CA -0.507 44.692 45.100 0.165 0.000 0.915 676 G HN 1.009 nan 8.290 nan 0.000 0.645 677 R N 0.133 120.720 120.500 0.146 0.000 2.583 677 R HA 0.299 4.601 4.340 -0.062 0.000 0.274 677 R C -0.214 176.101 176.300 0.025 0.000 0.998 677 R CA 0.182 56.272 56.100 -0.018 0.000 1.081 677 R CB 0.068 30.320 30.300 -0.080 0.000 0.940 677 R HN 0.440 nan 8.270 nan 0.000 0.413 678 I N 7.272 127.785 120.570 -0.096 0.000 2.328 678 I HA 0.295 4.428 4.170 -0.062 0.000 0.287 678 I C -2.022 173.971 176.117 -0.206 0.000 1.012 678 I CA -2.832 58.375 61.300 -0.156 0.000 1.195 678 I CB 1.934 39.876 38.000 -0.097 0.000 1.350 678 I HN 0.554 nan 8.210 nan 0.000 0.464 679 P HA 0.070 nan 4.420 nan 0.000 0.269 679 P C 0.299 177.568 177.300 -0.052 0.000 1.215 679 P CA -0.097 62.942 63.100 -0.101 0.000 0.780 679 P CB 0.620 32.305 31.700 -0.024 0.000 0.898 680 G N 0.926 109.684 108.800 -0.071 0.000 2.563 680 G HA2 0.614 4.537 3.960 -0.062 0.000 0.283 680 G HA3 0.614 4.537 3.960 -0.062 0.000 0.283 680 G C -1.011 173.857 174.900 -0.053 0.000 1.309 680 G CA -0.348 44.636 45.100 -0.192 0.000 1.022 680 G HN 0.535 nan 8.290 nan 0.000 0.501 681 F N -3.620 116.288 119.950 -0.071 0.000 2.807 681 F HA 0.676 5.168 4.527 -0.060 0.000 0.316 681 F C -0.874 174.879 175.800 -0.078 0.000 1.162 681 F CA -1.647 56.295 58.000 -0.097 0.000 0.910 681 F CB 2.019 40.875 39.000 -0.240 0.000 1.314 681 F HN 0.601 nan 8.300 nan 0.000 0.454 682 M N 3.241 122.962 119.600 0.201 0.000 2.183 682 M HA 0.647 5.090 4.480 -0.062 0.000 0.277 682 M C -2.385 173.979 176.300 0.105 0.000 0.995 682 M CA -0.514 54.849 55.300 0.105 0.000 0.969 682 M CB 1.280 33.910 32.600 0.050 0.000 1.659 682 M HN 0.632 nan 8.290 nan 0.000 0.462 683 L N 4.292 125.525 121.223 0.018 0.000 2.334 683 L HA 0.713 5.016 4.340 -0.062 0.000 0.270 683 L C -1.347 175.449 176.870 -0.124 0.000 1.018 683 L CA -0.090 54.777 54.840 0.045 0.000 0.811 683 L CB 1.582 43.642 42.059 0.002 0.000 1.271 683 L HN 0.758 nan 8.230 nan 0.000 0.443 684 W N -0.107 121.309 121.300 0.193 0.000 2.844 684 W HA 0.714 5.336 4.660 -0.063 0.000 0.340 684 W C 0.153 176.701 176.519 0.049 0.000 1.093 684 W CA -0.530 56.908 57.345 0.156 0.000 1.212 684 W CB 2.291 31.914 29.460 0.272 0.000 1.422 684 W HN 0.605 nan 8.180 nan 0.000 0.515 685 G N 0.202 109.189 108.800 0.311 0.000 2.672 685 G HA2 0.888 4.811 3.960 -0.062 0.000 0.292 685 G HA3 0.888 4.811 3.960 -0.062 0.000 0.292 685 G C -1.890 173.132 174.900 0.203 0.000 1.375 685 G CA -0.618 44.597 45.100 0.190 0.000 0.890 685 G HN 0.808 nan 8.290 nan 0.000 0.476 686 A N 0.076 122.977 122.820 0.135 0.000 2.610 686 A HA 0.965 5.248 4.320 -0.062 0.000 0.291 686 A C -0.800 176.830 177.584 0.077 0.000 1.086 686 A CA -0.684 51.436 52.037 0.137 0.000 0.677 686 A CB 2.164 21.231 19.000 0.112 0.000 1.278 686 A HN 1.049 nan 8.150 nan 0.000 0.414 687 R N -0.245 120.328 120.500 0.121 0.000 2.629 687 R HA 0.598 4.901 4.340 -0.062 0.000 0.266 687 R C -2.464 173.923 176.300 0.144 0.000 1.051 687 R CA -0.400 55.737 56.100 0.061 0.000 0.895 687 R CB 2.085 32.461 30.300 0.127 0.000 1.246 687 R HN 1.263 nan 8.270 nan 0.000 0.459 688 V N 2.743 122.738 119.914 0.134 0.000 2.588 688 V HA 0.934 5.017 4.120 -0.062 0.000 0.304 688 V C -1.340 174.803 176.094 0.082 0.000 1.042 688 V CA -0.038 62.337 62.300 0.124 0.000 0.877 688 V CB 1.479 33.486 31.823 0.306 0.000 0.996 688 V HN 0.958 nan 8.190 nan 0.000 0.425 689 A N 5.543 128.346 122.820 -0.029 0.000 2.527 689 A HA 0.923 5.206 4.320 -0.062 0.000 0.293 689 A C -2.003 175.522 177.584 -0.099 0.000 1.117 689 A CA -0.659 51.370 52.037 -0.014 0.000 0.723 689 A CB 1.961 20.945 19.000 -0.027 0.000 1.313 689 A HN 1.380 nan 8.150 nan 0.000 0.411 690 Y N 0.524 120.632 120.300 -0.319 0.000 2.433 690 Y HA 0.496 5.008 4.550 -0.062 0.000 0.337 690 Y C -1.379 174.258 175.900 -0.438 0.000 1.026 690 Y CA -0.688 57.039 58.100 -0.622 0.000 1.037 690 Y CB 1.965 39.802 38.460 -1.039 0.000 1.245 690 Y HN 0.689 nan 8.280 nan 0.000 0.443 691 D N 5.537 125.429 120.400 -0.846 0.000 2.454 691 D HA 0.205 4.807 4.640 -0.062 0.000 0.225 691 D C -1.078 174.887 176.300 -0.558 0.000 1.081 691 D CA -0.142 53.572 54.000 -0.476 0.000 0.864 691 D CB -0.000 40.561 40.800 -0.397 0.000 1.040 691 D HN 0.272 nan 8.370 nan 0.000 0.517 692 F N 2.104 121.962 119.950 -0.154 0.000 2.538 692 F HA 0.302 4.792 4.527 -0.062 0.000 0.371 692 F C 1.975 177.720 175.800 -0.091 0.000 1.087 692 F CA 0.076 58.069 58.000 -0.012 0.000 1.250 692 F CB 0.710 39.737 39.000 0.045 0.000 1.110 692 F HN 0.502 nan 8.300 nan 0.000 0.570 693 G N 5.498 114.342 108.800 0.074 0.000 2.530 693 G HA2 -0.223 3.700 3.960 -0.062 0.000 0.305 693 G HA3 -0.223 3.700 3.960 -0.062 0.000 0.305 693 G C -1.667 173.222 174.900 -0.019 0.000 0.185 693 G CA -0.826 44.283 45.100 0.015 0.000 1.140 693 G HN 0.595 nan 8.290 nan 0.000 0.516 694 P HA -0.223 nan 4.420 nan 0.000 0.220 694 P C 1.313 178.582 177.300 -0.053 0.000 1.149 694 P CA 1.456 64.509 63.100 -0.078 0.000 0.829 694 P CB 0.271 31.917 31.700 -0.090 0.000 0.772 695 Q N -2.019 117.763 119.800 -0.031 0.000 2.214 695 Q HA 0.133 4.436 4.340 -0.062 0.000 0.168 695 Q C 1.312 177.306 176.000 -0.011 0.000 1.047 695 Q CA -0.202 55.591 55.803 -0.017 0.000 1.102 695 Q CB 0.243 28.979 28.738 -0.004 0.000 1.458 695 Q HN -0.088 nan 8.270 nan 0.000 0.561 696 M N -1.207 118.396 119.600 0.006 0.000 6.752 696 M HA -0.395 4.048 4.480 -0.062 0.000 0.128 696 M C -0.498 175.801 176.300 -0.003 0.000 0.530 696 M CA 2.628 57.938 55.300 0.016 0.000 1.209 696 M CB -1.719 30.891 32.600 0.017 0.000 0.849 696 M HN 0.660 nan 8.290 nan 0.000 0.249 697 A N -0.251 122.524 122.820 -0.075 0.000 2.519 697 A HA 0.466 4.749 4.320 -0.062 0.000 0.236 697 A C -0.054 177.354 177.584 -0.292 0.000 0.875 697 A CA 0.768 52.660 52.037 -0.242 0.000 1.172 697 A CB 0.036 18.891 19.000 -0.242 0.000 1.211 697 A HN 0.775 nan 8.150 nan 0.000 0.454 698 D N 0.248 120.551 120.400 -0.163 0.000 2.733 698 D HA -0.184 4.419 4.640 -0.062 0.000 0.228 698 D C 0.227 176.457 176.300 -0.117 0.000 1.182 698 D CA 0.806 54.727 54.000 -0.132 0.000 0.620 698 D CB -0.799 39.912 40.800 -0.148 0.000 1.027 698 D HN 0.460 nan 8.370 nan 0.000 0.415 699 L N 0.762 121.942 121.223 -0.072 0.000 2.462 699 L HA 0.180 4.483 4.340 -0.062 0.000 0.272 699 L C 0.034 176.967 176.870 0.104 0.000 1.166 699 L CA 0.848 55.676 54.840 -0.020 0.000 0.880 699 L CB 0.235 42.259 42.059 -0.057 0.000 1.142 699 L HN 0.090 nan 8.230 nan 0.000 0.473 700 N N 6.295 125.033 118.700 0.064 0.000 2.314 700 N HA 0.472 5.175 4.740 -0.062 0.000 0.294 700 N C -1.167 174.414 175.510 0.119 0.000 1.029 700 N CA -0.515 52.581 53.050 0.077 0.000 0.845 700 N CB 2.760 41.248 38.487 0.001 0.000 1.321 700 N HN 0.610 nan 8.380 nan 0.000 0.481 701 L N 1.454 122.778 121.223 0.168 0.000 2.370 701 L HA 0.845 5.147 4.340 -0.062 0.000 0.266 701 L C -1.030 175.922 176.870 0.137 0.000 1.002 701 L CA -0.569 54.374 54.840 0.172 0.000 0.818 701 L CB 1.931 44.146 42.059 0.260 0.000 1.325 701 L HN 0.648 nan 8.230 nan 0.000 0.418 702 A N 2.741 125.649 122.820 0.147 0.000 2.604 702 A HA 0.700 4.983 4.320 -0.062 0.000 0.295 702 A C -2.117 175.568 177.584 0.167 0.000 1.067 702 A CA -0.390 51.733 52.037 0.143 0.000 0.683 702 A CB 1.708 20.785 19.000 0.128 0.000 1.281 702 A HN 0.516 nan 8.150 nan 0.000 0.407 703 F N 1.080 121.001 119.950 -0.048 0.000 2.547 703 F HA 0.779 5.268 4.527 -0.063 0.000 0.316 703 F C 0.144 175.733 175.800 -0.352 0.000 1.121 703 F CA 0.218 58.117 58.000 -0.169 0.000 0.911 703 F CB 1.941 40.896 39.000 -0.075 0.000 1.179 703 F HN 1.039 nan 8.300 nan 0.000 0.443 704 G N 3.221 110.979 108.800 -1.738 0.000 2.708 704 G HA2 0.664 4.587 3.960 -0.062 0.000 0.289 704 G HA3 0.664 4.587 3.960 -0.062 0.000 0.289 704 G C -2.409 171.597 174.900 -1.489 0.000 1.416 704 G CA -0.946 43.209 45.100 -1.576 0.000 0.829 704 G HN 0.683 nan 8.290 nan 0.000 0.480 705 V N 0.120 119.680 119.914 -0.590 0.000 2.760 705 V HA 0.517 4.600 4.120 -0.062 0.000 0.309 705 V C -0.557 175.577 176.094 0.067 0.000 1.077 705 V CA -0.967 61.193 62.300 -0.233 0.000 0.910 705 V CB 2.042 33.748 31.823 -0.195 0.000 1.008 705 V HN 0.715 nan 8.190 nan 0.000 0.424 706 K N 2.607 123.081 120.400 0.124 0.000 2.164 706 K HA 0.483 4.765 4.320 -0.062 0.000 0.258 706 K C 0.129 176.758 176.600 0.049 0.000 0.951 706 K CA -0.761 55.591 56.287 0.108 0.000 0.844 706 K CB 0.878 33.430 32.500 0.087 0.000 1.099 706 K HN 0.683 nan 8.250 nan 0.000 0.435 707 N N 2.588 121.327 118.700 0.064 0.000 2.671 707 N HA -0.204 4.499 4.740 -0.062 0.000 0.261 707 N C 0.246 175.772 175.510 0.028 0.000 1.053 707 N CA 0.248 53.346 53.050 0.081 0.000 0.732 707 N CB -1.082 37.450 38.487 0.074 0.000 0.887 707 N HN 0.745 nan 8.380 nan 0.000 0.546 708 I N -0.316 120.214 120.570 -0.067 0.000 2.185 708 I HA -0.332 3.801 4.170 -0.062 0.000 0.246 708 I C 1.354 177.244 176.117 -0.378 0.000 1.088 708 I CA 1.557 62.675 61.300 -0.304 0.000 1.347 708 I CB -0.323 37.334 38.000 -0.572 0.000 1.041 708 I HN 0.233 nan 8.210 nan 0.000 0.415 709 F N 0.213 120.247 119.950 0.139 0.000 2.773 709 F HA 0.068 4.557 4.527 -0.062 0.000 0.304 709 F C 0.837 176.705 175.800 0.114 0.000 1.129 709 F CA -0.014 58.055 58.000 0.116 0.000 1.378 709 F CB -0.851 38.229 39.000 0.133 0.000 1.095 709 F HN 0.027 nan 8.300 nan 0.000 0.565 710 D N 1.387 121.905 120.400 0.198 0.000 2.689 710 D HA -0.261 4.341 4.640 -0.062 0.000 0.237 710 D C 0.244 176.675 176.300 0.218 0.000 1.148 710 D CA 0.370 54.474 54.000 0.173 0.000 0.656 710 D CB -0.841 40.045 40.800 0.144 0.000 1.050 710 D HN 0.329 nan 8.370 nan 0.000 0.426 711 Q N 0.963 120.920 119.800 0.262 0.000 2.271 711 Q HA 0.222 4.524 4.340 -0.062 0.000 0.273 711 Q C -0.757 175.414 176.000 0.285 0.000 1.051 711 Q CA -0.009 55.953 55.803 0.264 0.000 0.901 711 Q CB 0.631 29.532 28.738 0.271 0.000 1.174 711 Q HN 0.153 nan 8.270 nan 0.000 0.385 712 D N 3.755 124.305 120.400 0.249 0.000 2.345 712 D HA 0.318 4.921 4.640 -0.062 0.000 0.247 712 D C -0.717 175.788 176.300 0.342 0.000 1.108 712 D CA 0.463 54.607 54.000 0.240 0.000 0.894 712 D CB 0.371 41.291 40.800 0.201 0.000 1.203 712 D HN 0.543 nan 8.370 nan 0.000 0.430 713 Y N -0.501 119.846 120.300 0.079 0.000 2.750 713 Y HA 0.654 5.169 4.550 -0.058 0.000 0.335 713 Y C -1.596 174.397 175.900 0.155 0.000 1.252 713 Y CA -1.740 56.366 58.100 0.011 0.000 1.064 713 Y CB 0.671 38.930 38.460 -0.336 0.000 1.321 713 Y HN 0.314 nan 8.280 nan 0.000 0.451 714 F N 0.187 120.175 119.950 0.064 0.000 2.741 714 F HA 0.845 5.335 4.527 -0.061 0.000 0.313 714 F C -1.979 173.922 175.800 0.169 0.000 1.153 714 F CA -1.518 56.489 58.000 0.012 0.000 0.931 714 F CB 1.547 40.518 39.000 -0.048 0.000 1.335 714 F HN 0.826 nan 8.300 nan 0.000 0.460 715 I N 0.619 121.435 120.570 0.409 0.000 3.239 715 I HA 0.691 4.823 4.170 -0.062 0.000 0.314 715 I C -1.395 175.016 176.117 0.490 0.000 1.126 715 I CA -1.160 60.342 61.300 0.337 0.000 0.973 715 I CB 2.562 40.691 38.000 0.216 0.000 1.252 715 I HN 0.842 nan 8.210 nan 0.000 0.463 716 R N 1.744 122.498 120.500 0.425 0.000 2.795 716 R HA 0.467 4.770 4.340 -0.062 0.000 0.275 716 R C -1.361 175.105 176.300 0.277 0.000 0.981 716 R CA -0.767 55.593 56.100 0.434 0.000 0.917 716 R CB 2.009 32.588 30.300 0.466 0.000 1.202 716 R HN 0.563 nan 8.270 nan 0.000 0.469 717 S N 0.778 116.637 115.700 0.264 0.000 2.454 717 S HA 0.185 4.618 4.470 -0.062 0.000 0.306 717 S C -0.261 174.530 174.600 0.319 0.000 1.100 717 S CA -0.547 57.735 58.200 0.136 0.000 1.087 717 S CB 0.871 64.116 63.200 0.075 0.000 1.019 717 S HN 0.700 nan 8.310 nan 0.000 0.480 718 Y N 3.790 124.231 120.300 0.234 0.000 2.301 718 Y HA 0.298 4.812 4.550 -0.061 0.000 0.295 718 Y C 1.604 177.591 175.900 0.145 0.000 1.126 718 Y CA 1.246 59.480 58.100 0.223 0.000 1.154 718 Y CB 0.092 38.725 38.460 0.287 0.000 1.075 718 Y HN 0.676 nan 8.280 nan 0.000 0.534 719 D N -0.282 120.110 120.400 -0.013 0.000 2.388 719 D HA 0.024 4.627 4.640 -0.062 0.000 0.208 719 D C -0.264 176.006 176.300 -0.050 0.000 1.035 719 D CA 0.359 54.279 54.000 -0.133 0.000 0.875 719 D CB 0.118 40.971 40.800 0.089 0.000 0.984 719 D HN 0.320 nan 8.370 nan 0.000 0.508 720 D N 0.199 120.604 120.400 0.008 0.000 2.377 720 D HA 0.074 4.676 4.640 -0.062 0.000 0.245 720 D C 1.315 177.634 176.300 0.032 0.000 1.196 720 D CA -0.270 53.745 54.000 0.024 0.000 0.962 720 D CB 0.644 41.465 40.800 0.035 0.000 1.127 720 D HN -0.089 nan 8.370 nan 0.000 0.471 721 N N 0.617 119.345 118.700 0.047 0.000 2.364 721 N HA -0.129 4.574 4.740 -0.062 0.000 0.183 721 N C 0.516 176.070 175.510 0.074 0.000 1.022 721 N CA 0.646 53.728 53.050 0.053 0.000 0.883 721 N CB -0.061 38.465 38.487 0.065 0.000 0.965 721 N HN 0.421 nan 8.380 nan 0.000 0.438 722 N N 1.217 119.981 118.700 0.106 0.000 2.451 722 N HA -0.014 4.689 4.740 -0.062 0.000 0.264 722 N C -0.185 175.428 175.510 0.172 0.000 1.167 722 N CA -0.215 52.913 53.050 0.129 0.000 0.898 722 N CB -0.194 38.396 38.487 0.171 0.000 1.176 722 N HN 0.229 nan 8.380 nan 0.000 0.507 723 K N -0.560 119.918 120.400 0.130 0.000 2.344 723 K HA 0.470 4.753 4.320 -0.062 0.000 0.260 723 K C 0.512 177.202 176.600 0.150 0.000 0.988 723 K CA 0.007 56.391 56.287 0.162 0.000 0.909 723 K CB 0.266 32.805 32.500 0.065 0.000 0.968 723 K HN 0.207 nan 8.250 nan 0.000 0.505 724 G N 0.627 109.555 108.800 0.213 0.000 2.325 724 G HA2 0.049 3.971 3.960 -0.062 0.000 0.285 724 G HA3 0.049 3.971 3.960 -0.062 0.000 0.285 724 G C -1.139 173.869 174.900 0.180 0.000 1.303 724 G CA -0.823 44.344 45.100 0.112 0.000 0.970 724 G HN 0.594 nan 8.290 nan 0.000 0.490 725 I N 0.407 120.961 120.570 -0.027 0.000 2.428 725 I HA 0.471 4.604 4.170 -0.062 0.000 0.289 725 I C -0.795 175.316 176.117 -0.010 0.000 1.019 725 I CA -0.495 60.754 61.300 -0.085 0.000 1.351 725 I CB 1.093 38.714 38.000 -0.631 0.000 1.412 725 I HN 0.377 nan 8.210 nan 0.000 0.513 726 Y N 4.565 124.922 120.300 0.094 0.000 2.338 726 Y HA 0.535 5.051 4.550 -0.057 0.000 0.328 726 Y C 0.529 176.603 175.900 0.291 0.000 0.965 726 Y CA -0.915 57.301 58.100 0.194 0.000 1.208 726 Y CB 1.502 40.066 38.460 0.173 0.000 1.132 726 Y HN 0.626 nan 8.280 nan 0.000 0.469 727 A N 2.341 125.459 122.820 0.498 0.000 2.531 727 A HA 0.456 4.739 4.320 -0.062 0.000 0.236 727 A C 0.921 178.690 177.584 0.308 0.000 1.062 727 A CA 0.452 52.752 52.037 0.439 0.000 0.760 727 A CB -0.110 19.066 19.000 0.292 0.000 0.995 727 A HN 0.890 nan 8.150 nan 0.000 0.501 728 G N 0.231 108.845 108.800 -0.310 0.000 2.507 728 G HA2 0.444 4.367 3.960 -0.062 0.000 0.271 728 G HA3 0.444 4.367 3.960 -0.062 0.000 0.271 728 G C 0.111 174.361 174.900 -1.084 0.000 1.189 728 G CA -0.461 44.016 45.100 -1.038 0.000 0.859 728 G HN 0.979 nan 8.290 nan 0.000 0.542 729 Q N 1.204 120.236 119.800 -1.280 0.000 2.262 729 Q HA 0.079 4.382 4.340 -0.062 0.000 0.298 729 Q C -1.861 173.702 176.000 -0.728 0.000 1.083 729 Q CA -0.889 53.887 55.803 -1.711 0.000 0.962 729 Q CB 0.801 28.854 28.738 -1.142 0.000 1.104 729 Q HN 0.287 nan 8.270 nan 0.000 0.376 730 P HA 0.091 nan 4.420 nan 0.000 0.297 730 P C -1.080 176.161 177.300 -0.099 0.000 1.307 730 P CA -0.537 62.475 63.100 -0.147 0.000 0.773 730 P CB 0.505 32.210 31.700 0.007 0.000 1.265 731 R N -0.138 120.353 120.500 -0.013 0.000 2.494 731 R HA 0.117 4.419 4.340 -0.062 0.000 0.291 731 R C -0.711 175.574 176.300 -0.026 0.000 0.953 731 R CA 0.935 57.031 56.100 -0.008 0.000 1.098 731 R CB -0.677 29.628 30.300 0.009 0.000 0.911 731 R HN 0.413 nan 8.270 nan 0.000 0.407 732 T N 6.301 120.853 114.554 -0.003 0.000 2.881 732 T HA 0.368 4.681 4.350 -0.062 0.000 0.290 732 T C -0.479 174.256 174.700 0.058 0.000 1.000 732 T CA -0.682 61.438 62.100 0.034 0.000 0.978 732 T CB 1.115 70.014 68.868 0.051 0.000 0.997 732 T HN 0.426 nan 8.240 nan 0.000 0.443 733 L N 4.042 125.294 121.223 0.048 0.000 2.322 733 L HA 0.766 5.069 4.340 -0.062 0.000 0.279 733 L C -0.694 176.211 176.870 0.058 0.000 1.036 733 L CA -1.200 53.615 54.840 -0.043 0.000 0.807 733 L CB 0.787 42.886 42.059 0.068 0.000 1.226 733 L HN 0.765 nan 8.230 nan 0.000 0.433 734 Y N 1.222 121.415 120.300 -0.178 0.000 2.597 734 Y HA 0.810 5.322 4.550 -0.063 0.000 0.340 734 Y C -0.730 175.152 175.900 -0.031 0.000 1.097 734 Y CA -1.658 56.403 58.100 -0.064 0.000 1.037 734 Y CB 1.766 40.193 38.460 -0.056 0.000 1.305 734 Y HN 0.582 nan 8.280 nan 0.000 0.463 735 M N 1.433 121.169 119.600 0.227 0.000 2.518 735 M HA 0.739 5.182 4.480 -0.062 0.000 0.300 735 M C -1.998 174.449 176.300 0.245 0.000 1.175 735 M CA -0.696 54.728 55.300 0.207 0.000 0.890 735 M CB 2.978 35.705 32.600 0.212 0.000 1.710 735 M HN 0.810 nan 8.290 nan 0.000 0.453 736 Q N 0.822 120.752 119.800 0.216 0.000 2.394 736 Q HA 0.876 5.179 4.340 -0.062 0.000 0.273 736 Q C -0.929 175.152 176.000 0.134 0.000 1.089 736 Q CA -1.094 54.816 55.803 0.180 0.000 0.812 736 Q CB 2.909 31.762 28.738 0.192 0.000 1.353 736 Q HN 1.047 nan 8.270 nan 0.000 0.438 737 G N 0.355 109.219 108.800 0.106 0.000 2.731 737 G HA2 0.616 4.539 3.960 -0.062 0.000 0.298 737 G HA3 0.616 4.539 3.960 -0.062 0.000 0.298 737 G C -1.228 173.709 174.900 0.062 0.000 1.424 737 G CA -0.520 44.629 45.100 0.082 0.000 1.029 737 G HN 0.533 nan 8.290 nan 0.000 0.518 738 S N 0.718 116.440 115.700 0.036 0.000 2.541 738 S HA 0.835 5.268 4.470 -0.062 0.000 0.271 738 S C -1.197 173.378 174.600 -0.040 0.000 1.133 738 S CA -0.802 57.405 58.200 0.011 0.000 0.876 738 S CB 1.901 65.104 63.200 0.004 0.000 1.105 738 S HN 0.645 nan 8.310 nan 0.000 0.470 739 L N 1.186 122.367 121.223 -0.070 0.000 2.388 739 L HA 0.682 4.985 4.340 -0.062 0.000 0.264 739 L C -0.885 175.825 176.870 -0.266 0.000 0.998 739 L CA -0.676 54.030 54.840 -0.223 0.000 0.817 739 L CB 2.427 44.351 42.059 -0.225 0.000 1.338 739 L HN 0.764 nan 8.230 nan 0.000 0.414 740 K N 2.721 122.842 120.400 -0.465 0.000 2.565 740 K HA 0.580 4.863 4.320 -0.062 0.000 0.249 740 K C -1.576 174.756 176.600 -0.446 0.000 0.958 740 K CA -0.416 55.686 56.287 -0.309 0.000 0.806 740 K CB 2.108 34.505 32.500 -0.173 0.000 1.194 740 K HN 0.190 nan 8.250 nan 0.000 0.434 741 F N 0.000 119.946 119.950 -0.006 0.000 2.286 741 F HA 0.000 4.489 4.527 -0.063 0.000 0.279 741 F CA 0.000 58.013 58.000 0.022 0.000 1.383 741 F CB 0.000 39.033 39.000 0.055 0.000 1.145 741 F HN 0.000 nan 8.300 nan 0.000 0.574