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 1pnz_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 0.000 177.586 177.584 0.004 0.000 1.274 81 A CA 0.000 52.040 52.037 0.005 0.000 0.836 81 A CB 0.000 19.004 19.000 0.007 0.000 0.831 82 L N 0.686 121.909 121.223 0.001 0.000 3.429 82 L HA -0.203 4.103 4.340 -0.058 0.000 0.542 82 L C -0.083 176.778 176.870 -0.015 0.000 1.002 82 L CA 1.203 56.039 54.840 -0.008 0.000 1.149 82 L CB -0.736 41.323 42.059 0.001 0.000 0.936 82 L HN 0.643 nan 8.230 nan 0.000 0.615 83 T N 2.281 116.822 114.554 -0.020 0.000 2.812 83 T HA 0.391 4.706 4.350 -0.058 0.000 0.282 83 T C -0.067 174.613 174.700 -0.035 0.000 0.990 83 T CA -0.504 61.581 62.100 -0.024 0.000 0.960 83 T CB 2.516 71.377 68.868 -0.013 0.000 0.948 83 T HN 0.292 nan 8.240 nan 0.000 0.438 84 V N 5.152 125.035 119.914 -0.053 0.000 2.555 84 V HA 0.148 4.233 4.120 -0.058 0.000 0.286 84 V C 0.971 177.046 176.094 -0.032 0.000 1.044 84 V CA 0.431 62.693 62.300 -0.064 0.000 1.026 84 V CB 0.694 32.452 31.823 -0.109 0.000 0.981 84 V HN 0.834 nan 8.190 nan 0.000 0.480 85 V N 6.727 126.637 119.914 -0.006 0.000 2.300 85 V HA 0.263 4.349 4.120 -0.058 0.000 0.241 85 V C 1.918 178.027 176.094 0.025 0.000 1.034 85 V CA 1.853 64.172 62.300 0.031 0.000 1.021 85 V CB -1.159 30.714 31.823 0.083 0.000 0.662 85 V HN 1.435 nan 8.190 nan 0.000 0.458 86 G N 0.366 109.183 108.800 0.028 0.000 2.779 86 G HA2 -0.317 3.609 3.960 -0.058 0.000 0.284 86 G HA3 -0.317 3.609 3.960 -0.058 0.000 0.284 86 G C 0.049 174.952 174.900 0.005 0.000 1.326 86 G CA 0.326 45.428 45.100 0.003 0.000 0.983 86 G HN 0.520 nan 8.290 nan 0.000 0.555 87 D N 2.083 122.459 120.400 -0.041 0.000 2.393 87 D HA 0.294 4.900 4.640 -0.058 0.000 0.232 87 D C 1.635 177.906 176.300 -0.049 0.000 1.192 87 D CA -0.121 53.800 54.000 -0.132 0.000 0.882 87 D CB -0.481 40.252 40.800 -0.112 0.000 1.038 87 D HN 0.562 nan 8.370 nan 0.000 0.499 88 W N 3.852 125.180 121.300 0.047 0.000 3.047 88 W HA 0.023 4.648 4.660 -0.058 0.000 0.250 88 W C 0.606 177.140 176.519 0.025 0.000 1.314 88 W CA -0.465 56.906 57.345 0.043 0.000 1.540 88 W CB -0.349 29.151 29.460 0.066 0.000 1.127 88 W HN 0.274 nan 8.180 nan 0.000 0.679 89 L N 2.232 123.389 121.223 -0.111 0.000 2.056 89 L HA 0.293 4.598 4.340 -0.058 0.000 0.202 89 L C 2.166 178.999 176.870 -0.062 0.000 1.086 89 L CA 2.728 57.504 54.840 -0.106 0.000 0.758 89 L CB -1.252 40.553 42.059 -0.424 0.000 0.912 89 L HN 0.196 nan 8.230 nan 0.000 0.446 90 G N -0.150 108.589 108.800 -0.101 0.000 2.685 90 G HA2 -0.425 3.500 3.960 -0.058 0.000 0.357 90 G HA3 -0.425 3.500 3.960 -0.058 0.000 0.357 90 G C 0.569 175.440 174.900 -0.048 0.000 1.272 90 G CA 0.822 45.886 45.100 -0.060 0.000 0.972 90 G HN 0.524 nan 8.290 nan 0.000 0.550 91 D N 2.270 122.656 120.400 -0.023 0.000 2.352 91 D HA 0.410 5.015 4.640 -0.058 0.000 0.236 91 D C 1.414 177.703 176.300 -0.018 0.000 1.148 91 D CA 1.197 55.185 54.000 -0.020 0.000 0.844 91 D CB -0.337 40.456 40.800 -0.012 0.000 0.933 91 D HN 1.456 nan 8.370 nan 0.000 0.507 92 A N 0.309 123.121 122.820 -0.014 0.000 2.667 92 A HA -0.195 4.090 4.320 -0.058 0.000 0.298 92 A C 0.949 178.536 177.584 0.006 0.000 1.483 92 A CA 0.886 52.918 52.037 -0.008 0.000 0.738 92 A CB -2.405 16.573 19.000 -0.036 0.000 1.067 92 A HN 0.518 nan 8.150 nan 0.000 0.451 93 R N 0.477 120.994 120.500 0.027 0.000 2.585 93 R HA 0.374 4.679 4.340 -0.058 0.000 0.275 93 R C 1.028 177.349 176.300 0.034 0.000 1.018 93 R CA 1.207 57.324 56.100 0.028 0.000 1.072 93 R CB -0.409 29.917 30.300 0.043 0.000 0.953 93 R HN 1.065 nan 8.270 nan 0.000 0.419 94 E N 1.501 121.713 120.200 0.019 0.000 2.097 94 E HA -0.307 4.008 4.350 -0.058 0.000 0.196 94 E C 1.702 178.344 176.600 0.070 0.000 1.000 94 E CA 1.939 58.354 56.400 0.025 0.000 0.804 94 E CB -0.022 29.673 29.700 -0.008 0.000 0.740 94 E HN 0.831 nan 8.360 nan 0.000 0.454 95 N N -0.120 118.622 118.700 0.069 0.000 2.142 95 N HA -0.159 4.546 4.740 -0.058 0.000 0.186 95 N C 1.307 176.901 175.510 0.140 0.000 1.023 95 N CA 1.269 54.388 53.050 0.116 0.000 0.852 95 N CB 0.010 38.544 38.487 0.080 0.000 0.998 95 N HN 0.198 nan 8.380 nan 0.000 0.424 96 D N 0.478 120.944 120.400 0.110 0.000 2.144 96 D HA -0.106 4.500 4.640 -0.058 0.000 0.199 96 D C 2.061 178.415 176.300 0.090 0.000 0.984 96 D CA 0.709 54.779 54.000 0.117 0.000 0.834 96 D CB -0.088 40.809 40.800 0.163 0.000 0.955 96 D HN 0.138 nan 8.370 nan 0.000 0.465 97 V N 0.934 120.894 119.914 0.078 0.000 2.358 97 V HA -0.214 3.872 4.120 -0.058 0.000 0.246 97 V C 2.182 178.322 176.094 0.076 0.000 1.047 97 V CA 1.113 63.434 62.300 0.033 0.000 1.035 97 V CB -0.556 31.279 31.823 0.020 0.000 0.658 97 V HN 0.059 nan 8.190 nan 0.000 0.452 98 F N 1.159 121.106 119.950 -0.006 0.000 2.216 98 F HA -0.100 4.392 4.527 -0.058 0.000 0.300 98 F C 2.244 178.035 175.800 -0.014 0.000 1.085 98 F CA 1.469 59.468 58.000 -0.001 0.000 1.326 98 F CB -0.020 38.977 39.000 -0.005 0.000 1.027 98 F HN 0.147 nan 8.300 nan 0.000 0.497 99 E N -0.769 119.396 120.200 -0.059 0.000 2.476 99 E HA -0.080 4.235 4.350 -0.058 0.000 0.191 99 E C -0.253 176.217 176.600 -0.216 0.000 1.064 99 E CA 0.090 56.394 56.400 -0.160 0.000 0.866 99 E CB -0.800 28.898 29.700 -0.003 0.000 0.952 99 E HN 0.413 nan 8.360 nan 0.000 0.492 100 H N 0.713 119.599 119.070 -0.306 0.000 2.899 100 H HA 0.228 4.750 4.556 -0.057 0.000 0.303 100 H C 0.046 175.089 175.328 -0.476 0.000 1.042 100 H CA -0.124 55.674 56.048 -0.417 0.000 1.479 100 H CB 0.701 30.219 29.762 -0.407 0.000 1.493 100 H HN -0.045 nan 8.280 nan 0.000 0.534 101 A N 4.733 127.040 122.820 -0.854 0.000 3.051 101 A HA 0.501 4.786 4.320 -0.058 0.000 0.257 101 A C 0.595 177.680 177.584 -0.831 0.000 1.785 101 A CA 0.623 52.285 52.037 -0.626 0.000 1.420 101 A CB -1.007 17.764 19.000 -0.381 0.000 1.063 101 A HN 0.932 nan 8.150 nan 0.000 0.630 102 G N -1.097 106.955 108.800 -1.247 0.000 2.328 102 G HA2 0.577 4.503 3.960 -0.058 0.000 0.299 102 G HA3 0.577 4.503 3.960 -0.058 0.000 0.299 102 G C -0.428 174.042 174.900 -0.717 0.000 1.435 102 G CA -0.234 44.233 45.100 -1.056 0.000 0.865 102 G HN 1.307 nan 8.290 nan 0.000 0.601 103 A N 0.253 122.877 122.820 -0.327 0.000 2.548 103 A HA 0.648 4.933 4.320 -0.058 0.000 0.247 103 A C 0.708 178.213 177.584 -0.130 0.000 1.067 103 A CA 1.026 53.010 52.037 -0.088 0.000 0.757 103 A CB 0.072 19.090 19.000 0.030 0.000 0.996 103 A HN 1.213 nan 8.150 nan 0.000 0.504 104 R N 2.367 122.785 120.500 -0.136 0.000 2.563 104 R HA 0.358 4.663 4.340 -0.058 0.000 0.262 104 R C -2.257 173.957 176.300 -0.143 0.000 1.128 104 R CA -0.491 55.476 56.100 -0.222 0.000 0.969 104 R CB 1.397 31.414 30.300 -0.473 0.000 1.251 104 R HN 0.785 nan 8.270 nan 0.000 0.442 105 D N 2.727 123.041 120.400 -0.142 0.000 2.671 105 D HA 0.487 5.092 4.640 -0.058 0.000 0.232 105 D C -1.062 175.172 176.300 -0.109 0.000 1.114 105 D CA -0.444 53.498 54.000 -0.095 0.000 0.858 105 D CB 2.918 43.673 40.800 -0.075 0.000 1.544 105 D HN 0.174 nan 8.370 nan 0.000 0.471 106 V N 1.854 121.724 119.914 -0.073 0.000 2.760 106 V HA 0.458 4.543 4.120 -0.058 0.000 0.309 106 V C -0.387 175.690 176.094 -0.029 0.000 1.077 106 V CA -0.759 61.504 62.300 -0.062 0.000 0.910 106 V CB 2.470 34.262 31.823 -0.053 0.000 1.008 106 V HN 0.425 nan 8.190 nan 0.000 0.424 107 I N 3.998 124.574 120.570 0.010 0.000 2.406 107 I HA 0.543 4.679 4.170 -0.058 0.000 0.290 107 I C 0.010 176.201 176.117 0.124 0.000 0.999 107 I CA -0.546 60.793 61.300 0.066 0.000 1.124 107 I CB 2.052 40.124 38.000 0.120 0.000 1.289 107 I HN 0.570 nan 8.210 nan 0.000 0.441 108 R N 3.780 124.268 120.500 -0.021 0.000 2.536 108 R HA 0.375 4.680 4.340 -0.058 0.000 0.279 108 R C 1.303 177.210 176.300 -0.654 0.000 1.001 108 R CA -0.691 55.296 56.100 -0.189 0.000 1.027 108 R CB 1.615 31.816 30.300 -0.166 0.000 1.096 108 R HN 0.530 nan 8.270 nan 0.000 0.502 109 R N 2.044 121.907 120.500 -1.062 0.000 2.165 109 R HA -0.327 3.979 4.340 -0.058 0.000 0.254 109 R C 1.666 177.369 176.300 -0.995 0.000 1.153 109 R CA 2.517 57.561 56.100 -1.760 0.000 0.971 109 R CB -0.186 29.651 30.300 -0.770 0.000 0.878 109 R HN 0.818 nan 8.270 nan 0.000 0.449 110 E N -0.302 119.589 120.200 -0.516 0.000 2.219 110 E HA -0.220 4.095 4.350 -0.058 0.000 0.198 110 E C 0.411 176.880 176.600 -0.218 0.000 0.998 110 E CA 1.808 58.034 56.400 -0.289 0.000 0.818 110 E CB -0.042 29.538 29.700 -0.199 0.000 0.741 110 E HN 0.490 nan 8.360 nan 0.000 0.477 111 D N -0.757 119.503 120.400 -0.233 0.000 2.395 111 D HA 0.015 4.620 4.640 -0.058 0.000 0.213 111 D C 0.969 177.334 176.300 0.108 0.000 1.110 111 D CA -0.118 53.844 54.000 -0.064 0.000 0.835 111 D CB 0.071 40.837 40.800 -0.056 0.000 0.965 111 D HN 0.186 nan 8.370 nan 0.000 0.505 112 F N 2.300 122.219 119.950 -0.053 0.000 2.075 112 F HA -0.058 4.435 4.527 -0.057 0.000 0.297 112 F C 2.635 178.405 175.800 -0.051 0.000 1.113 112 F CA 0.317 58.284 58.000 -0.055 0.000 1.218 112 F CB -1.343 37.623 39.000 -0.058 0.000 0.984 112 F HN -0.033 nan 8.300 nan 0.000 0.472 113 A N 0.821 123.741 122.820 0.167 0.000 2.019 113 A HA -0.225 4.061 4.320 -0.058 0.000 0.219 113 A C 2.211 179.850 177.584 0.091 0.000 1.164 113 A CA 1.729 53.821 52.037 0.092 0.000 0.644 113 A CB -0.961 18.082 19.000 0.073 0.000 0.805 113 A HN 0.542 nan 8.150 nan 0.000 0.449 114 K N -0.246 120.209 120.400 0.092 0.000 2.281 114 K HA -0.146 4.139 4.320 -0.058 0.000 0.203 114 K C 1.109 177.797 176.600 0.147 0.000 1.046 114 K CA 1.833 58.190 56.287 0.117 0.000 0.938 114 K CB -0.647 31.912 32.500 0.097 0.000 0.737 114 K HN 0.493 nan 8.250 nan 0.000 0.458 115 T N -4.129 110.483 114.554 0.095 0.000 3.132 115 T HA 0.339 4.655 4.350 -0.058 0.000 0.274 115 T C 1.056 175.713 174.700 -0.072 0.000 1.011 115 T CA 0.013 62.161 62.100 0.080 0.000 0.899 115 T CB 0.662 69.565 68.868 0.058 0.000 1.089 115 T HN 0.406 nan 8.240 nan 0.000 0.543 116 G N 1.428 110.116 108.800 -0.187 0.000 2.160 116 G HA2 -0.036 3.890 3.960 -0.058 0.000 0.251 116 G HA3 -0.036 3.890 3.960 -0.058 0.000 0.251 116 G C 0.309 174.936 174.900 -0.455 0.000 1.008 116 G CA -0.146 44.522 45.100 -0.720 0.000 0.724 116 G HN 1.259 nan 8.290 nan 0.000 0.514 117 A N -0.163 122.528 122.820 -0.215 0.000 2.440 117 A HA 0.730 5.015 4.320 -0.058 0.000 0.251 117 A C 1.392 178.881 177.584 -0.160 0.000 1.089 117 A CA 1.396 53.329 52.037 -0.173 0.000 0.779 117 A CB 0.452 19.364 19.000 -0.147 0.000 1.022 117 A HN 1.632 nan 8.150 nan 0.000 0.492 118 T N -1.789 112.670 114.554 -0.159 0.000 3.009 118 T HA 0.260 4.575 4.350 -0.058 0.000 0.267 118 T C 0.551 175.154 174.700 -0.162 0.000 0.942 118 T CA 0.709 62.726 62.100 -0.138 0.000 0.883 118 T CB -0.500 68.305 68.868 -0.105 0.000 1.192 118 T HN 1.086 nan 8.240 nan 0.000 0.524 119 T N -0.822 113.630 114.554 -0.169 0.000 2.942 119 T HA 0.658 4.973 4.350 -0.058 0.000 0.289 119 T C 1.008 175.571 174.700 -0.228 0.000 1.044 119 T CA -0.835 61.161 62.100 -0.173 0.000 1.023 119 T CB 1.876 70.679 68.868 -0.108 0.000 1.123 119 T HN -0.131 nan 8.240 nan 0.000 0.512 120 M N 1.067 120.523 119.600 -0.239 0.000 2.086 120 M HA 0.020 4.466 4.480 -0.058 0.000 0.261 120 M C 2.494 178.691 176.300 -0.171 0.000 1.067 120 M CA 1.773 56.921 55.300 -0.253 0.000 1.116 120 M CB -0.822 31.596 32.600 -0.303 0.000 1.348 120 M HN 0.856 nan 8.290 nan 0.000 0.407 121 R N -0.497 119.935 120.500 -0.113 0.000 2.127 121 R HA -0.147 4.159 4.340 -0.058 0.000 0.238 121 R C 1.668 177.919 176.300 -0.082 0.000 1.134 121 R CA 1.888 57.945 56.100 -0.071 0.000 0.975 121 R CB -0.986 29.299 30.300 -0.025 0.000 0.865 121 R HN 0.457 nan 8.270 nan 0.000 0.447 122 E N 0.674 120.815 120.200 -0.098 0.000 2.204 122 E HA -0.090 4.225 4.350 -0.058 0.000 0.194 122 E C 1.836 178.366 176.600 -0.117 0.000 0.989 122 E CA 1.210 57.556 56.400 -0.091 0.000 0.824 122 E CB 0.205 29.845 29.700 -0.100 0.000 0.756 122 E HN 0.226 nan 8.360 nan 0.000 0.477 123 V N 0.869 120.678 119.914 -0.174 0.000 2.500 123 V HA -0.123 3.962 4.120 -0.058 0.000 0.243 123 V C 2.129 178.137 176.094 -0.143 0.000 1.039 123 V CA 0.784 62.978 62.300 -0.177 0.000 1.053 123 V CB -0.183 31.447 31.823 -0.322 0.000 0.695 123 V HN 0.225 nan 8.190 nan 0.000 0.463 124 L N 0.413 121.538 121.223 -0.164 0.000 2.079 124 L HA -0.178 4.127 4.340 -0.058 0.000 0.210 124 L C 2.295 179.072 176.870 -0.156 0.000 1.081 124 L CA 1.387 56.110 54.840 -0.196 0.000 0.752 124 L CB -0.676 41.223 42.059 -0.267 0.000 0.896 124 L HN 0.375 nan 8.230 nan 0.000 0.433 125 N N 0.202 118.834 118.700 -0.113 0.000 2.520 125 N HA -0.115 4.591 4.740 -0.058 0.000 0.185 125 N C 1.619 177.071 175.510 -0.098 0.000 1.068 125 N CA 0.803 53.797 53.050 -0.094 0.000 0.911 125 N CB -0.035 38.417 38.487 -0.060 0.000 0.961 125 N HN 0.362 nan 8.380 nan 0.000 0.446 126 R N -0.057 120.392 120.500 -0.086 0.000 2.313 126 R HA 0.222 4.528 4.340 -0.058 0.000 0.199 126 R C 0.190 176.453 176.300 -0.062 0.000 0.958 126 R CA 0.205 56.270 56.100 -0.059 0.000 1.047 126 R CB 0.431 30.707 30.300 -0.039 0.000 0.955 126 R HN 0.140 nan 8.270 nan 0.000 0.481 127 I N 3.376 123.891 120.570 -0.093 0.000 2.336 127 I HA 0.222 4.357 4.170 -0.058 0.000 0.292 127 I C -2.079 173.979 176.117 -0.100 0.000 0.991 127 I CA -2.673 58.571 61.300 -0.094 0.000 1.227 127 I CB 1.708 39.629 38.000 -0.131 0.000 1.366 127 I HN -0.249 nan 8.210 nan 0.000 0.466 128 P HA 0.015 nan 4.420 nan 0.000 0.265 128 P C 0.728 177.967 177.300 -0.102 0.000 1.193 128 P CA 0.620 63.676 63.100 -0.073 0.000 0.765 128 P CB 0.875 32.567 31.700 -0.015 0.000 0.823 129 G N 1.220 109.947 108.800 -0.123 0.000 2.176 129 G HA2 -0.186 3.739 3.960 -0.058 0.000 0.253 129 G HA3 -0.186 3.739 3.960 -0.058 0.000 0.253 129 G C -0.146 174.657 174.900 -0.161 0.000 0.979 129 G CA -0.016 44.991 45.100 -0.156 0.000 0.641 129 G HN 0.564 nan 8.290 nan 0.000 0.530 130 V N 0.744 120.572 119.914 -0.143 0.000 2.459 130 V HA 0.773 4.859 4.120 -0.058 0.000 0.295 130 V C 0.152 176.190 176.094 -0.092 0.000 1.029 130 V CA 0.040 62.264 62.300 -0.128 0.000 0.874 130 V CB 1.843 33.556 31.823 -0.183 0.000 0.985 130 V HN 0.546 nan 8.190 nan 0.000 0.438 131 S N 3.737 119.414 115.700 -0.038 0.000 2.707 131 S HA 0.752 5.188 4.470 -0.058 0.000 0.312 131 S C -0.291 174.331 174.600 0.036 0.000 1.116 131 S CA -0.175 58.016 58.200 -0.016 0.000 1.078 131 S CB 1.045 64.239 63.200 -0.010 0.000 0.997 131 S HN 1.097 nan 8.310 nan 0.000 0.477 132 A N 6.848 129.685 122.820 0.027 0.000 2.644 132 A HA 0.673 4.959 4.320 -0.058 0.000 0.343 132 A C -2.854 174.752 177.584 0.036 0.000 1.324 132 A CA -1.625 50.446 52.037 0.056 0.000 0.846 132 A CB 0.183 19.206 19.000 0.037 0.000 1.128 132 A HN 0.599 nan 8.150 nan 0.000 0.484 133 P HA 0.132 nan 4.420 nan 0.000 0.269 133 P C 0.119 177.429 177.300 0.016 0.000 1.215 133 P CA -0.005 63.108 63.100 0.021 0.000 0.780 133 P CB 0.579 32.245 31.700 -0.057 0.000 0.898 134 E N 1.165 121.413 120.200 0.080 0.000 2.422 134 E HA 0.026 4.341 4.350 -0.058 0.000 0.260 134 E C 0.140 176.731 176.600 -0.015 0.000 1.108 134 E CA -0.182 56.287 56.400 0.114 0.000 0.943 134 E CB 0.087 29.955 29.700 0.281 0.000 0.961 134 E HN 0.381 nan 8.360 nan 0.000 0.443 135 N N 2.627 121.308 118.700 -0.032 0.000 2.292 135 N HA -0.057 4.648 4.740 -0.058 0.000 0.258 135 N C -0.758 174.628 175.510 -0.206 0.000 1.261 135 N CA 0.692 53.662 53.050 -0.133 0.000 0.845 135 N CB -0.209 38.209 38.487 -0.115 0.000 1.064 135 N HN 0.533 nan 8.380 nan 0.000 0.471 136 N N -1.103 117.386 118.700 -0.352 0.000 3.322 136 N HA 0.514 5.219 4.740 -0.058 0.000 0.233 136 N C 0.158 175.426 175.510 -0.403 0.000 1.399 136 N CA -0.400 52.211 53.050 -0.731 0.000 0.894 136 N CB 0.574 38.387 38.487 -1.124 0.000 1.440 136 N HN 0.535 nan 8.380 nan 0.000 0.503 137 G N 0.082 108.738 108.800 -0.239 0.000 2.582 137 G HA2 -0.386 3.539 3.960 -0.058 0.000 0.288 137 G HA3 -0.386 3.539 3.960 -0.058 0.000 0.288 137 G C 0.834 175.712 174.900 -0.036 0.000 1.247 137 G CA 0.891 45.955 45.100 -0.060 0.000 0.972 137 G HN 0.979 nan 8.290 nan 0.000 0.557 138 T N 1.147 115.661 114.554 -0.068 0.000 2.665 138 T HA 0.026 4.341 4.350 -0.058 0.000 0.268 138 T C 2.073 176.667 174.700 -0.177 0.000 1.035 138 T CA 2.379 64.438 62.100 -0.068 0.000 1.151 138 T CB -0.638 68.183 68.868 -0.077 0.000 0.862 138 T HN 1.617 nan 8.240 nan 0.000 0.438 139 G N 1.014 109.638 108.800 -0.293 0.000 3.574 139 G HA2 0.238 4.164 3.960 -0.058 0.000 0.262 139 G HA3 0.238 4.164 3.960 -0.058 0.000 0.262 139 G C 0.471 175.071 174.900 -0.500 0.000 1.231 139 G CA -0.294 44.488 45.100 -0.530 0.000 1.608 139 G HN 0.392 nan 8.290 nan 0.000 0.628 140 S N 0.904 116.439 115.700 -0.276 0.000 3.324 140 S HA 0.337 4.773 4.470 -0.058 0.000 0.229 140 S C 0.088 174.674 174.600 -0.023 0.000 1.417 140 S CA -0.650 57.503 58.200 -0.077 0.000 1.211 140 S CB -0.737 62.560 63.200 0.162 0.000 1.157 140 S HN 0.831 nan 8.310 nan 0.000 0.491 141 H N -2.570 116.445 119.070 -0.092 0.000 2.969 141 H HA 0.376 4.897 4.556 -0.058 0.000 0.304 141 H C -0.511 174.763 175.328 -0.091 0.000 1.400 141 H CA -0.809 55.191 56.048 -0.080 0.000 1.182 141 H CB -0.344 29.388 29.762 -0.048 0.000 1.865 141 H HN -0.057 nan 8.280 nan 0.000 0.512 142 D N 0.536 121.003 120.400 0.111 0.000 2.350 142 D HA -0.025 4.580 4.640 -0.058 0.000 0.216 142 D C 1.511 177.892 176.300 0.134 0.000 0.968 142 D CA 0.745 54.780 54.000 0.058 0.000 0.894 142 D CB 0.190 41.013 40.800 0.038 0.000 0.909 142 D HN 0.405 nan 8.370 nan 0.000 0.520 143 L N 0.071 121.538 121.223 0.406 0.000 2.395 143 L HA 0.111 4.417 4.340 -0.058 0.000 0.218 143 L C 1.189 178.142 176.870 0.139 0.000 1.130 143 L CA 0.356 55.401 54.840 0.343 0.000 0.826 143 L CB -0.352 41.961 42.059 0.423 0.000 0.941 143 L HN -0.129 nan 8.230 nan 0.000 0.451 144 A N -0.702 122.056 122.820 -0.102 0.000 2.248 144 A HA 0.695 4.980 4.320 -0.058 0.000 0.316 144 A C -0.348 177.090 177.584 -0.243 0.000 1.101 144 A CA -0.422 51.438 52.037 -0.296 0.000 0.875 144 A CB 0.857 19.471 19.000 -0.643 0.000 1.207 144 A HN 0.082 nan 8.150 nan 0.000 0.504 145 M N 1.237 120.699 119.600 -0.230 0.000 2.267 145 M HA 0.366 4.812 4.480 -0.058 0.000 0.289 145 M C -1.927 174.264 176.300 -0.182 0.000 1.043 145 M CA -0.435 54.772 55.300 -0.154 0.000 0.928 145 M CB 1.505 34.055 32.600 -0.083 0.000 1.613 145 M HN 0.732 nan 8.290 nan 0.000 0.450 146 N N 5.880 124.509 118.700 -0.119 0.000 2.399 146 N HA 0.693 5.398 4.740 -0.058 0.000 0.284 146 N C -1.779 173.735 175.510 0.006 0.000 1.025 146 N CA -0.065 52.893 53.050 -0.153 0.000 0.885 146 N CB 1.991 40.370 38.487 -0.181 0.000 1.339 146 N HN 0.656 nan 8.380 nan 0.000 0.487 147 F N -1.168 118.700 119.950 -0.137 0.000 2.708 147 F HA 0.700 5.192 4.527 -0.058 0.000 0.309 147 F C -1.117 174.608 175.800 -0.125 0.000 1.120 147 F CA -1.040 56.888 58.000 -0.119 0.000 0.978 147 F CB 0.946 39.883 39.000 -0.105 0.000 1.283 147 F HN 0.332 nan 8.300 nan 0.000 0.439 148 G N 3.079 111.998 108.800 0.200 0.000 2.682 148 G HA2 0.656 4.582 3.960 -0.058 0.000 0.300 148 G HA3 0.656 4.582 3.960 -0.058 0.000 0.300 148 G C -1.987 172.961 174.900 0.080 0.000 1.391 148 G CA -0.972 44.166 45.100 0.063 0.000 0.990 148 G HN 0.633 nan 8.290 nan 0.000 0.501 149 I N 1.057 121.624 120.570 -0.005 0.000 2.392 149 I HA 0.372 4.507 4.170 -0.058 0.000 0.295 149 I C 1.038 177.039 176.117 -0.194 0.000 0.985 149 I CA -0.734 60.500 61.300 -0.111 0.000 1.221 149 I CB 1.316 39.224 38.000 -0.153 0.000 1.366 149 I HN 0.808 nan 8.210 nan 0.000 0.467 150 R N 4.011 124.373 120.500 -0.231 0.000 3.387 150 R HA -0.245 4.060 4.340 -0.058 0.000 0.254 150 R C 1.038 177.351 176.300 0.022 0.000 1.006 150 R CA 0.675 56.640 56.100 -0.226 0.000 0.677 150 R CB -1.759 28.202 30.300 -0.565 0.000 1.063 150 R HN 1.160 nan 8.270 nan 0.000 0.453 151 G N -1.136 107.690 108.800 0.044 0.000 2.179 151 G HA2 -0.330 3.596 3.960 -0.058 0.000 0.260 151 G HA3 -0.330 3.596 3.960 -0.058 0.000 0.260 151 G C 0.269 175.288 174.900 0.198 0.000 0.977 151 G CA 0.181 45.379 45.100 0.164 0.000 0.641 151 G HN 0.288 nan 8.290 nan 0.000 0.533 152 L N 0.714 121.944 121.223 0.011 0.000 2.439 152 L HA 0.270 4.576 4.340 -0.058 0.000 0.269 152 L C 1.122 178.005 176.870 0.022 0.000 1.179 152 L CA -0.863 53.967 54.840 -0.017 0.000 0.828 152 L CB 0.423 42.372 42.059 -0.183 0.000 1.106 152 L HN 0.188 nan 8.230 nan 0.000 0.467 153 N N 4.223 122.953 118.700 0.051 0.000 2.236 153 N HA -0.082 4.624 4.740 -0.058 0.000 0.274 153 N C -1.585 173.886 175.510 -0.067 0.000 1.339 153 N CA -0.706 52.362 53.050 0.030 0.000 0.845 153 N CB 0.798 39.301 38.487 0.027 0.000 1.091 153 N HN 0.362 nan 8.380 nan 0.000 0.489 154 P HA -0.059 nan 4.420 nan 0.000 0.230 154 P C 0.188 177.348 177.300 -0.233 0.000 1.168 154 P CA 0.274 63.286 63.100 -0.147 0.000 0.793 154 P CB 0.298 31.942 31.700 -0.092 0.000 0.851 155 R N 2.080 122.445 120.500 -0.225 0.000 2.513 155 R HA 0.010 4.316 4.340 -0.058 0.000 0.333 155 R C 0.558 176.707 176.300 -0.252 0.000 0.925 155 R CA 0.236 56.189 56.100 -0.245 0.000 1.072 155 R CB -0.957 29.223 30.300 -0.200 0.000 0.914 155 R HN 0.104 nan 8.270 nan 0.000 0.408 156 L N 3.092 124.146 121.223 -0.281 0.000 4.040 156 L HA -0.325 3.981 4.340 -0.058 0.000 0.410 156 L C 0.606 177.243 176.870 -0.387 0.000 1.187 156 L CA 0.685 55.345 54.840 -0.299 0.000 0.956 156 L CB -2.040 39.875 42.059 -0.240 0.000 2.022 156 L HN 0.993 nan 8.230 nan 0.000 0.897 157 A N -0.207 122.299 122.820 -0.524 0.000 2.462 157 A HA -0.241 4.045 4.320 -0.058 0.000 0.294 157 A C 1.468 178.667 177.584 -0.641 0.000 1.461 157 A CA 1.366 52.880 52.037 -0.871 0.000 0.765 157 A CB -1.253 16.961 19.000 -1.310 0.000 1.071 157 A HN 1.175 nan 8.150 nan 0.000 0.401 158 S N -1.425 114.012 115.700 -0.440 0.000 2.575 158 S HA 0.150 4.585 4.470 -0.058 0.000 0.215 158 S C 1.235 175.655 174.600 -0.300 0.000 0.966 158 S CA 0.203 58.198 58.200 -0.342 0.000 0.911 158 S CB 0.163 63.210 63.200 -0.254 0.000 0.780 158 S HN 0.572 nan 8.310 nan 0.000 0.514 159 R N 1.295 121.608 120.500 -0.312 0.000 2.359 159 R HA 0.466 4.771 4.340 -0.058 0.000 0.231 159 R C -0.282 175.850 176.300 -0.279 0.000 0.913 159 R CA -0.064 55.879 56.100 -0.263 0.000 1.075 159 R CB -0.210 29.963 30.300 -0.211 0.000 1.087 159 R HN 0.352 nan 8.270 nan 0.000 0.515 160 S N -0.593 114.946 115.700 -0.269 0.000 2.599 160 S HA 0.377 4.813 4.470 -0.058 0.000 0.287 160 S C -0.553 173.919 174.600 -0.213 0.000 1.105 160 S CA -0.576 57.511 58.200 -0.189 0.000 0.899 160 S CB 2.591 65.794 63.200 0.005 0.000 1.100 160 S HN -0.043 nan 8.310 nan 0.000 0.482 161 T N 2.306 116.736 114.554 -0.207 0.000 2.738 161 T HA 0.317 4.632 4.350 -0.058 0.000 0.294 161 T C -0.183 174.391 174.700 -0.209 0.000 0.914 161 T CA -0.258 61.708 62.100 -0.224 0.000 1.052 161 T CB -0.162 68.591 68.868 -0.191 0.000 0.897 161 T HN 0.330 nan 8.240 nan 0.000 0.522 162 V N 6.407 126.207 119.914 -0.189 0.000 2.407 162 V HA 0.515 4.600 4.120 -0.058 0.000 0.278 162 V C 0.075 176.063 176.094 -0.177 0.000 1.037 162 V CA -0.579 61.633 62.300 -0.147 0.000 0.900 162 V CB 0.604 32.415 31.823 -0.021 0.000 0.983 162 V HN 0.708 nan 8.190 nan 0.000 0.459 163 L N 4.667 125.753 121.223 -0.228 0.000 2.376 163 L HA 0.707 5.013 4.340 -0.058 0.000 0.258 163 L C -0.576 176.224 176.870 -0.116 0.000 1.013 163 L CA -0.655 54.065 54.840 -0.201 0.000 0.822 163 L CB 2.416 44.309 42.059 -0.276 0.000 1.388 163 L HN 0.612 nan 8.230 nan 0.000 0.413 164 M N 1.617 121.174 119.600 -0.070 0.000 2.151 164 M HA 0.368 4.814 4.480 -0.058 0.000 0.290 164 M C -1.152 175.115 176.300 -0.055 0.000 0.965 164 M CA -0.073 55.234 55.300 0.012 0.000 0.930 164 M CB 1.140 33.767 32.600 0.045 0.000 1.560 164 M HN 0.656 nan 8.290 nan 0.000 0.438 165 D N 3.890 124.257 120.400 -0.055 0.000 2.837 165 D HA -0.183 4.423 4.640 -0.058 0.000 0.230 165 D C 0.948 177.198 176.300 -0.084 0.000 1.152 165 D CA 2.137 56.103 54.000 -0.057 0.000 0.736 165 D CB -1.295 39.495 40.800 -0.017 0.000 1.084 165 D HN 1.259 nan 8.370 nan 0.000 0.429 166 G N -1.145 107.572 108.800 -0.138 0.000 2.253 166 G HA2 -0.350 3.575 3.960 -0.058 0.000 0.251 166 G HA3 -0.350 3.575 3.960 -0.058 0.000 0.251 166 G C 0.463 175.275 174.900 -0.147 0.000 0.998 166 G CA 0.222 45.245 45.100 -0.127 0.000 0.621 166 G HN 0.539 nan 8.290 nan 0.000 0.524 167 I N 2.717 123.170 120.570 -0.195 0.000 2.416 167 I HA 0.281 4.416 4.170 -0.058 0.000 0.288 167 I C -1.919 173.962 176.117 -0.393 0.000 1.051 167 I CA -2.138 58.938 61.300 -0.373 0.000 1.375 167 I CB 1.071 38.868 38.000 -0.339 0.000 1.407 167 I HN -0.135 nan 8.210 nan 0.000 0.516 168 P HA -0.057 nan 4.420 nan 0.000 0.261 168 P C 0.720 177.849 177.300 -0.284 0.000 1.183 168 P CA 0.231 63.121 63.100 -0.350 0.000 0.761 168 P CB 0.599 32.114 31.700 -0.308 0.000 0.785 169 V N 5.571 125.360 119.914 -0.209 0.000 2.535 169 V HA 0.008 4.094 4.120 -0.058 0.000 0.246 169 V C -1.541 174.417 176.094 -0.226 0.000 1.045 169 V CA 1.042 63.238 62.300 -0.173 0.000 1.058 169 V CB -1.620 30.150 31.823 -0.089 0.000 0.689 169 V HN 0.580 nan 8.190 nan 0.000 0.461 170 P HA 0.001 nan 4.420 nan 0.000 0.268 170 P C 0.248 177.311 177.300 -0.395 0.000 1.205 170 P CA 0.154 62.974 63.100 -0.467 0.000 0.771 170 P CB 0.195 31.621 31.700 -0.457 0.000 0.858 171 F N 0.936 120.716 119.950 -0.283 0.000 2.802 171 F HA 0.456 4.948 4.527 -0.058 0.000 0.300 171 F C 0.802 176.473 175.800 -0.215 0.000 1.168 171 F CA -0.340 57.476 58.000 -0.307 0.000 1.433 171 F CB -0.669 37.998 39.000 -0.555 0.000 1.115 171 F HN 0.200 nan 8.300 nan 0.000 0.582 172 A N -0.039 122.638 122.820 -0.237 0.000 3.464 172 A HA 0.463 4.749 4.320 -0.058 0.000 0.243 172 A C -1.998 175.512 177.584 -0.124 0.000 1.100 172 A CA -0.874 51.180 52.037 0.028 0.000 0.957 172 A CB -0.279 18.869 19.000 0.246 0.000 1.340 172 A HN -0.009 nan 8.150 nan 0.000 0.645 173 P HA -0.254 nan 4.420 nan 0.000 0.220 173 P C 0.864 177.978 177.300 -0.311 0.000 1.155 173 P CA 1.971 64.940 63.100 -0.219 0.000 0.880 173 P CB 0.010 31.639 31.700 -0.118 0.000 0.790 174 Y N -1.718 118.492 120.300 -0.149 0.000 2.205 174 Y HA 0.154 4.670 4.550 -0.058 0.000 0.292 174 Y C 2.800 178.496 175.900 -0.340 0.000 1.119 174 Y CA 1.652 59.647 58.100 -0.175 0.000 1.117 174 Y CB -1.275 37.127 38.460 -0.096 0.000 1.037 174 Y HN -0.111 nan 8.280 nan 0.000 0.510 175 G N -1.422 107.139 108.800 -0.398 0.000 2.453 175 G HA2 -0.043 3.883 3.960 -0.058 0.000 0.215 175 G HA3 -0.043 3.883 3.960 -0.058 0.000 0.215 175 G C 0.770 175.270 174.900 -0.667 0.000 1.147 175 G CA 0.417 44.740 45.100 -1.294 0.000 0.802 175 G HN 0.139 nan 8.290 nan 0.000 0.535 176 Q N -0.137 119.521 119.800 -0.238 0.000 3.484 176 Q HA 0.175 4.480 4.340 -0.058 0.000 0.255 176 Q C -2.180 173.629 176.000 -0.318 0.000 0.909 176 Q CA -1.214 54.527 55.803 -0.103 0.000 0.774 176 Q CB 2.534 31.409 28.738 0.227 0.000 1.431 176 Q HN 0.280 nan 8.270 nan 0.000 0.423 177 P HA -0.086 nan 4.420 nan 0.000 0.237 177 P C -0.080 176.954 177.300 -0.443 0.000 1.178 177 P CA 0.277 63.126 63.100 -0.418 0.000 0.766 177 P CB 0.592 32.082 31.700 -0.351 0.000 0.876 178 Q N 0.635 120.220 119.800 -0.359 0.000 2.244 178 Q HA 0.115 4.420 4.340 -0.058 0.000 0.278 178 Q C 0.495 176.275 176.000 -0.367 0.000 1.093 178 Q CA 0.469 56.092 55.803 -0.300 0.000 0.916 178 Q CB -0.199 28.442 28.738 -0.162 0.000 1.159 178 Q HN 0.255 nan 8.270 nan 0.000 0.384 179 L N 2.301 123.316 121.223 -0.348 0.000 2.533 179 L HA 0.036 4.341 4.340 -0.058 0.000 0.239 179 L C 1.022 177.782 176.870 -0.183 0.000 1.376 179 L CA -0.085 54.575 54.840 -0.300 0.000 1.240 179 L CB -0.722 41.167 42.059 -0.284 0.000 1.487 179 L HN 0.734 nan 8.230 nan 0.000 0.419 180 S N 0.287 115.945 115.700 -0.071 0.000 2.442 180 S HA -0.058 4.377 4.470 -0.058 0.000 0.236 180 S C 0.723 175.243 174.600 -0.133 0.000 1.007 180 S CA 0.469 58.591 58.200 -0.130 0.000 0.965 180 S CB 0.221 63.428 63.200 0.012 0.000 0.773 180 S HN 0.455 nan 8.310 nan 0.000 0.504 181 L N 1.072 122.371 121.223 0.125 0.000 2.406 181 L HA 0.704 5.010 4.340 -0.058 0.000 0.272 181 L C -1.497 175.365 176.870 -0.013 0.000 0.980 181 L CA -0.440 54.497 54.840 0.162 0.000 0.831 181 L CB 1.601 43.841 42.059 0.302 0.000 1.253 181 L HN 0.178 nan 8.230 nan 0.000 0.406 182 A N 7.244 129.971 122.820 -0.153 0.000 2.536 182 A HA 0.606 4.891 4.320 -0.058 0.000 0.329 182 A C -2.383 174.901 177.584 -0.499 0.000 1.321 182 A CA -1.163 50.715 52.037 -0.264 0.000 0.804 182 A CB 0.387 19.258 19.000 -0.215 0.000 1.126 182 A HN 0.518 nan 8.150 nan 0.000 0.480 183 P HA 0.225 nan 4.420 nan 0.000 0.235 183 P C -0.347 176.617 177.300 -0.560 0.000 1.765 183 P CA 0.422 62.840 63.100 -1.136 0.000 1.034 183 P CB -0.435 30.797 31.700 -0.781 0.000 1.984 184 V N -1.918 117.740 119.914 -0.427 0.000 3.087 184 V HA 0.790 4.875 4.120 -0.058 0.000 0.306 184 V C -0.613 175.349 176.094 -0.220 0.000 1.187 184 V CA -0.963 61.164 62.300 -0.288 0.000 0.999 184 V CB 2.142 33.672 31.823 -0.489 0.000 1.049 184 V HN 0.093 nan 8.190 nan 0.000 0.431 185 S N 1.649 117.235 115.700 -0.190 0.000 2.548 185 S HA 0.561 4.997 4.470 -0.058 0.000 0.276 185 S C 0.232 174.714 174.600 -0.197 0.000 1.129 185 S CA -0.435 57.661 58.200 -0.174 0.000 0.931 185 S CB 1.833 64.972 63.200 -0.101 0.000 1.068 185 S HN 1.074 nan 8.310 nan 0.000 0.480 186 L N 3.676 124.758 121.223 -0.234 0.000 2.043 186 L HA -0.006 4.299 4.340 -0.058 0.000 0.212 186 L C 2.259 179.094 176.870 -0.059 0.000 1.075 186 L CA 2.510 57.209 54.840 -0.235 0.000 0.752 186 L CB -0.974 40.875 42.059 -0.350 0.000 0.891 186 L HN 0.938 nan 8.230 nan 0.000 0.432 187 G N -1.107 107.648 108.800 -0.075 0.000 2.501 187 G HA2 -0.271 3.655 3.960 -0.058 0.000 0.220 187 G HA3 -0.271 3.655 3.960 -0.058 0.000 0.220 187 G C 1.159 176.057 174.900 -0.004 0.000 1.114 187 G CA 0.904 45.986 45.100 -0.031 0.000 0.757 187 G HN 0.498 nan 8.290 nan 0.000 0.559 188 N N -0.319 118.375 118.700 -0.009 0.000 2.204 188 N HA 0.203 4.908 4.740 -0.058 0.000 0.219 188 N C 0.037 175.576 175.510 0.048 0.000 1.151 188 N CA 0.103 53.162 53.050 0.014 0.000 0.867 188 N CB 0.541 39.029 38.487 0.002 0.000 1.043 188 N HN 0.162 nan 8.380 nan 0.000 0.516 189 M N -0.180 119.480 119.600 0.101 0.000 2.508 189 M HA 0.289 4.734 4.480 -0.058 0.000 0.327 189 M C 0.546 176.950 176.300 0.173 0.000 1.160 189 M CA -0.485 54.906 55.300 0.151 0.000 0.980 189 M CB 1.689 34.405 32.600 0.193 0.000 1.693 189 M HN -0.236 nan 8.290 nan 0.000 0.452 190 D N 1.024 121.480 120.400 0.093 0.000 2.366 190 D HA 0.479 5.084 4.640 -0.058 0.000 0.205 190 D C -0.103 176.195 176.300 -0.004 0.000 1.022 190 D CA 0.582 54.577 54.000 -0.008 0.000 0.868 190 D CB 0.875 41.660 40.800 -0.025 0.000 0.953 190 D HN 0.687 nan 8.370 nan 0.000 0.514 191 A N -0.516 122.391 122.820 0.145 0.000 2.544 191 A HA 0.566 4.851 4.320 -0.058 0.000 0.291 191 A C -1.946 175.752 177.584 0.190 0.000 1.055 191 A CA -0.591 51.554 52.037 0.181 0.000 0.651 191 A CB 0.641 19.662 19.000 0.036 0.000 1.296 191 A HN -0.064 nan 8.150 nan 0.000 0.431 192 I N 1.571 122.220 120.570 0.132 0.000 2.439 192 I HA 0.387 4.522 4.170 -0.058 0.000 0.283 192 I C -0.958 175.087 176.117 -0.121 0.000 1.023 192 I CA -0.089 61.211 61.300 -0.001 0.000 1.100 192 I CB 1.863 39.867 38.000 0.006 0.000 1.238 192 I HN 0.522 nan 8.210 nan 0.000 0.445 193 D N 6.335 126.603 120.400 -0.222 0.000 2.373 193 D HA 0.345 4.951 4.640 -0.058 0.000 0.227 193 D C -1.000 175.112 176.300 -0.313 0.000 1.091 193 D CA -0.156 53.707 54.000 -0.229 0.000 0.840 193 D CB 1.519 42.194 40.800 -0.207 0.000 1.060 193 D HN 0.131 nan 8.370 nan 0.000 0.502 194 V N 4.713 124.461 119.914 -0.277 0.000 2.311 194 V HA 0.213 4.298 4.120 -0.058 0.000 0.275 194 V C 0.283 176.220 176.094 -0.261 0.000 1.022 194 V CA -0.769 61.349 62.300 -0.302 0.000 0.830 194 V CB 1.593 33.239 31.823 -0.295 0.000 1.012 194 V HN 0.320 nan 8.190 nan 0.000 0.452 195 V N 6.846 126.606 119.914 -0.256 0.000 2.240 195 V HA 0.303 4.388 4.120 -0.058 0.000 0.265 195 V C 1.360 177.352 176.094 -0.170 0.000 1.073 195 V CA -0.364 61.799 62.300 -0.228 0.000 0.857 195 V CB 0.297 32.025 31.823 -0.159 0.000 1.114 195 V HN 0.805 nan 8.190 nan 0.000 0.469 196 R N 2.529 122.925 120.500 -0.174 0.000 2.148 196 R HA 0.114 4.420 4.340 -0.058 0.000 0.227 196 R C 1.050 177.277 176.300 -0.121 0.000 1.103 196 R CA 0.985 56.984 56.100 -0.169 0.000 0.983 196 R CB 0.306 30.488 30.300 -0.197 0.000 0.874 196 R HN 0.689 nan 8.270 nan 0.000 0.451 197 G N -2.055 106.699 108.800 -0.077 0.000 2.620 197 G HA2 0.449 4.374 3.960 -0.058 0.000 0.301 197 G HA3 0.449 4.374 3.960 -0.058 0.000 0.301 197 G C 0.140 175.055 174.900 0.024 0.000 1.347 197 G CA -0.124 44.953 45.100 -0.039 0.000 0.971 197 G HN 0.129 nan 8.290 nan 0.000 0.488 198 G N -0.756 108.034 108.800 -0.016 0.000 2.175 198 G HA2 0.041 3.966 3.960 -0.058 0.000 0.244 198 G HA3 0.041 3.966 3.960 -0.058 0.000 0.244 198 G C 0.991 175.953 174.900 0.104 0.000 0.982 198 G CA 0.734 45.796 45.100 -0.062 0.000 0.641 198 G HN 1.866 nan 8.290 nan 0.000 0.527 199 G N -0.509 108.418 108.800 0.213 0.000 3.519 199 G HA2 0.578 4.503 3.960 -0.058 0.000 0.269 199 G HA3 0.578 4.503 3.960 -0.058 0.000 0.269 199 G C 1.273 176.324 174.900 0.251 0.000 1.028 199 G CA 1.492 46.845 45.100 0.420 0.000 0.809 199 G HN 1.327 nan 8.290 nan 0.000 0.521 200 A N 0.005 122.896 122.820 0.118 0.000 2.209 200 A HA 0.298 4.584 4.320 -0.058 0.000 0.212 200 A C 2.141 179.768 177.584 0.072 0.000 1.158 200 A CA 1.031 53.116 52.037 0.081 0.000 0.742 200 A CB -0.007 19.018 19.000 0.042 0.000 0.790 200 A HN 0.230 nan 8.150 nan 0.000 0.472 201 V N -0.623 119.311 119.914 0.033 0.000 2.575 201 V HA -0.060 4.026 4.120 -0.058 0.000 0.242 201 V C 2.335 178.288 176.094 -0.234 0.000 1.045 201 V CA 1.497 63.786 62.300 -0.018 0.000 1.065 201 V CB -0.481 31.344 31.823 0.002 0.000 0.717 201 V HN 0.514 nan 8.190 nan 0.000 0.467 202 R N -1.592 118.621 120.500 -0.478 0.000 2.280 202 R HA 0.169 4.474 4.340 -0.058 0.000 0.195 202 R C -0.495 175.155 176.300 -1.085 0.000 0.935 202 R CA 0.322 55.747 56.100 -1.124 0.000 1.033 202 R CB 0.280 29.733 30.300 -1.412 0.000 0.964 202 R HN 0.427 nan 8.270 nan 0.000 0.489 203 Y N -0.718 119.508 120.300 -0.125 0.000 2.477 203 Y HA 0.649 5.165 4.550 -0.057 0.000 0.347 203 Y C 0.503 176.374 175.900 -0.049 0.000 0.981 203 Y CA -0.982 57.061 58.100 -0.095 0.000 1.033 203 Y CB 2.597 40.975 38.460 -0.137 0.000 1.245 203 Y HN -0.008 nan 8.280 nan 0.000 0.455 204 G N 1.645 110.494 108.800 0.082 0.000 2.451 204 G HA2 0.523 4.449 3.960 -0.058 0.000 0.292 204 G HA3 0.523 4.449 3.960 -0.058 0.000 0.292 204 G C -3.338 171.442 174.900 -0.200 0.000 1.427 204 G CA -1.117 43.955 45.100 -0.047 0.000 0.792 204 G HN 0.327 nan 8.290 nan 0.000 0.498 205 P HA 0.305 nan 4.420 nan 0.000 0.338 205 P C -0.761 176.131 177.300 -0.681 0.000 1.308 205 P CA 0.061 62.699 63.100 -0.769 0.000 0.753 205 P CB 0.565 31.671 31.700 -0.989 0.000 1.579 206 Q N -1.600 117.720 119.800 -0.801 0.000 2.453 206 Q HA -0.123 4.183 4.340 -0.058 0.000 0.294 206 Q C 0.834 176.575 176.000 -0.432 0.000 1.295 206 Q CA 1.081 56.568 55.803 -0.527 0.000 0.853 206 Q CB -3.278 25.212 28.738 -0.412 0.000 1.193 206 Q HN 0.650 nan 8.270 nan 0.000 0.461 207 S N -2.883 112.551 115.700 -0.443 0.000 2.593 207 S HA 0.128 4.563 4.470 -0.058 0.000 0.217 207 S C 1.573 176.013 174.600 -0.266 0.000 0.966 207 S CA 0.350 58.388 58.200 -0.270 0.000 0.914 207 S CB 0.230 63.346 63.200 -0.140 0.000 0.776 207 S HN 0.216 nan 8.310 nan 0.000 0.523 208 V N 1.913 121.597 119.914 -0.384 0.000 2.392 208 V HA -0.066 4.019 4.120 -0.058 0.000 0.249 208 V C 2.273 178.131 176.094 -0.393 0.000 1.059 208 V CA 1.867 63.881 62.300 -0.478 0.000 1.051 208 V CB -1.236 30.023 31.823 -0.940 0.000 0.658 208 V HN 0.704 nan 8.190 nan 0.000 0.455 209 G N -1.012 107.581 108.800 -0.344 0.000 3.591 209 G HA2 0.480 4.406 3.960 -0.058 0.000 0.282 209 G HA3 0.480 4.406 3.960 -0.058 0.000 0.282 209 G C 0.767 175.545 174.900 -0.204 0.000 1.238 209 G CA 0.520 45.456 45.100 -0.273 0.000 0.993 209 G HN 0.888 nan 8.290 nan 0.000 0.542 210 G N -1.058 107.627 108.800 -0.192 0.000 2.645 210 G HA2 0.042 3.967 3.960 -0.058 0.000 0.246 210 G HA3 0.042 3.967 3.960 -0.058 0.000 0.246 210 G C -0.198 174.611 174.900 -0.152 0.000 1.322 210 G CA 0.047 45.058 45.100 -0.148 0.000 0.898 210 G HN 1.429 nan 8.290 nan 0.000 0.573 211 V N -1.025 118.788 119.914 -0.168 0.000 2.735 211 V HA 0.787 4.872 4.120 -0.058 0.000 0.310 211 V C -0.319 175.590 176.094 -0.309 0.000 1.061 211 V CA -0.295 61.862 62.300 -0.238 0.000 0.913 211 V CB 2.013 33.653 31.823 -0.304 0.000 1.005 211 V HN 1.423 nan 8.190 nan 0.000 0.428 212 V N 5.675 125.371 119.914 -0.364 0.000 2.443 212 V HA 0.530 4.615 4.120 -0.058 0.000 0.293 212 V C -0.506 175.175 176.094 -0.687 0.000 1.021 212 V CA -0.541 61.440 62.300 -0.531 0.000 0.848 212 V CB 1.570 33.050 31.823 -0.572 0.000 0.998 212 V HN 0.982 nan 8.190 nan 0.000 0.424 213 N N 3.594 121.883 118.700 -0.684 0.000 2.372 213 N HA 0.582 5.287 4.740 -0.058 0.000 0.285 213 N C -1.352 173.800 175.510 -0.597 0.000 1.008 213 N CA -0.430 52.263 53.050 -0.595 0.000 0.880 213 N CB 1.117 39.347 38.487 -0.430 0.000 1.239 213 N HN 0.363 nan 8.380 nan 0.000 0.484 214 F N 2.831 122.689 119.950 -0.153 0.000 2.371 214 F HA 0.320 4.813 4.527 -0.056 0.000 0.363 214 F C 0.145 175.893 175.800 -0.086 0.000 1.122 214 F CA -0.834 57.097 58.000 -0.115 0.000 1.129 214 F CB 0.870 39.801 39.000 -0.115 0.000 1.173 214 F HN 0.083 nan 8.300 nan 0.000 0.489 215 V N 3.392 123.356 119.914 0.084 0.000 2.408 215 V HA 0.200 4.285 4.120 -0.058 0.000 0.267 215 V C 0.528 176.661 176.094 0.067 0.000 1.047 215 V CA -0.757 61.567 62.300 0.041 0.000 0.937 215 V CB 0.733 32.561 31.823 0.008 0.000 0.999 215 V HN 0.853 nan 8.190 nan 0.000 0.472 216 T N 4.332 118.915 114.554 0.048 0.000 2.898 216 T HA 0.340 4.655 4.350 -0.058 0.000 0.301 216 T C 0.381 175.100 174.700 0.031 0.000 1.049 216 T CA -0.915 61.212 62.100 0.045 0.000 1.095 216 T CB 0.517 69.409 68.868 0.040 0.000 0.976 216 T HN 0.551 nan 8.240 nan 0.000 0.539 217 R N 1.127 121.644 120.500 0.029 0.000 2.638 217 R HA 0.331 4.636 4.340 -0.058 0.000 0.268 217 R C 0.571 176.874 176.300 0.005 0.000 1.006 217 R CA -0.062 56.044 56.100 0.010 0.000 1.088 217 R CB -0.456 29.849 30.300 0.009 0.000 0.950 217 R HN 0.911 nan 8.270 nan 0.000 0.419 218 A N 2.957 125.773 122.820 -0.007 0.000 2.340 218 A HA 0.361 4.646 4.320 -0.058 0.000 0.268 218 A C 0.164 177.742 177.584 -0.011 0.000 1.100 218 A CA -0.670 51.364 52.037 -0.006 0.000 0.803 218 A CB 0.287 19.280 19.000 -0.012 0.000 1.043 218 A HN 0.549 nan 8.150 nan 0.000 0.488 219 I N 2.723 123.289 120.570 -0.007 0.000 2.598 219 I HA 0.160 4.295 4.170 -0.058 0.000 0.284 219 I C -1.875 174.231 176.117 -0.018 0.000 1.140 219 I CA -0.994 60.296 61.300 -0.017 0.000 1.420 219 I CB 0.181 38.168 38.000 -0.022 0.000 1.387 219 I HN 0.395 nan 8.210 nan 0.000 0.553 220 P HA 0.048 nan 4.420 nan 0.000 0.268 220 P C 0.324 177.622 177.300 -0.003 0.000 1.205 220 P CA -0.333 62.752 63.100 -0.026 0.000 0.771 220 P CB 0.538 32.204 31.700 -0.056 0.000 0.858 221 Q N 0.817 120.620 119.800 0.005 0.000 2.096 221 Q HA -0.109 4.196 4.340 -0.058 0.000 0.204 221 Q C 0.321 176.345 176.000 0.041 0.000 0.982 221 Q CA 1.761 57.577 55.803 0.021 0.000 0.850 221 Q CB -0.154 28.595 28.738 0.018 0.000 0.901 221 Q HN 0.540 nan 8.270 nan 0.000 0.422 222 D N -1.432 118.996 120.400 0.047 0.000 2.879 222 D HA 0.140 4.745 4.640 -0.058 0.000 0.236 222 D C -0.945 175.425 176.300 0.116 0.000 1.171 222 D CA -0.871 53.183 54.000 0.091 0.000 0.868 222 D CB 1.161 42.014 40.800 0.087 0.000 1.598 222 D HN -0.122 nan 8.370 nan 0.000 0.497 223 F N 2.009 121.974 119.950 0.024 0.000 2.338 223 F HA 0.151 4.644 4.527 -0.058 0.000 0.423 223 F C 0.418 176.243 175.800 0.042 0.000 0.916 223 F CA 1.032 59.049 58.000 0.028 0.000 1.136 223 F CB 0.270 39.286 39.000 0.027 0.000 0.872 223 F HN 0.273 nan 8.300 nan 0.000 0.538 224 G N 7.154 115.524 108.800 -0.717 0.000 2.753 224 G HA2 0.590 4.515 3.960 -0.058 0.000 0.297 224 G HA3 0.590 4.515 3.960 -0.058 0.000 0.297 224 G C -1.729 172.861 174.900 -0.517 0.000 1.430 224 G CA -0.801 44.015 45.100 -0.473 0.000 1.040 224 G HN 0.697 nan 8.290 nan 0.000 0.530 225 I N 1.204 121.634 120.570 -0.233 0.000 2.466 225 I HA 0.451 4.586 4.170 -0.058 0.000 0.289 225 I C -0.555 175.624 176.117 0.104 0.000 1.026 225 I CA -0.613 60.656 61.300 -0.051 0.000 1.078 225 I CB 2.485 40.528 38.000 0.071 0.000 1.249 225 I HN 0.398 nan 8.210 nan 0.000 0.429 226 E N 4.584 124.817 120.200 0.055 0.000 2.293 226 E HA 0.811 5.127 4.350 -0.058 0.000 0.270 226 E C -1.281 175.362 176.600 0.072 0.000 0.879 226 E CA -0.887 55.536 56.400 0.037 0.000 0.756 226 E CB 2.921 32.612 29.700 -0.015 0.000 1.208 226 E HN 0.668 nan 8.360 nan 0.000 0.428 227 A N 1.614 124.475 122.820 0.069 0.000 2.455 227 A HA 0.860 5.145 4.320 -0.058 0.000 0.300 227 A C -0.700 176.923 177.584 0.064 0.000 1.040 227 A CA -0.337 51.756 52.037 0.093 0.000 0.697 227 A CB 1.937 21.019 19.000 0.137 0.000 1.265 227 A HN 0.595 nan 8.150 nan 0.000 0.407 228 G N -0.758 108.088 108.800 0.077 0.000 2.672 228 G HA2 0.779 4.704 3.960 -0.058 0.000 0.292 228 G HA3 0.779 4.704 3.960 -0.058 0.000 0.292 228 G C -1.669 173.288 174.900 0.094 0.000 1.375 228 G CA -0.286 44.854 45.100 0.067 0.000 0.890 228 G HN 1.927 nan 8.290 nan 0.000 0.476 229 V N -0.560 119.408 119.914 0.089 0.000 3.077 229 V HA 0.830 4.915 4.120 -0.058 0.000 0.299 229 V C -1.696 174.456 176.094 0.095 0.000 1.276 229 V CA -0.710 61.654 62.300 0.106 0.000 0.993 229 V CB 2.117 34.007 31.823 0.112 0.000 1.076 229 V HN 1.045 nan 8.190 nan 0.000 0.434 230 E N 3.050 123.304 120.200 0.091 0.000 2.314 230 E HA 0.772 5.088 4.350 -0.058 0.000 0.272 230 E C -0.732 175.928 176.600 0.100 0.000 0.884 230 E CA -0.381 56.076 56.400 0.095 0.000 0.753 230 E CB 2.266 31.994 29.700 0.046 0.000 1.213 230 E HN 1.091 nan 8.360 nan 0.000 0.432 231 G N 2.722 111.600 108.800 0.130 0.000 2.566 231 G HA2 0.487 4.412 3.960 -0.058 0.000 0.311 231 G HA3 0.487 4.412 3.960 -0.058 0.000 0.311 231 G C -1.196 173.792 174.900 0.147 0.000 1.322 231 G CA -0.393 44.779 45.100 0.121 0.000 0.969 231 G HN 0.442 nan 8.290 nan 0.000 0.490 232 Q N -0.100 119.772 119.800 0.121 0.000 2.413 232 Q HA 0.742 5.047 4.340 -0.058 0.000 0.276 232 Q C -1.483 174.583 176.000 0.110 0.000 1.099 232 Q CA -0.875 55.009 55.803 0.136 0.000 0.814 232 Q CB 3.292 32.104 28.738 0.123 0.000 1.379 232 Q HN 0.452 nan 8.270 nan 0.000 0.436 233 L N -0.153 121.133 121.223 0.105 0.000 2.466 233 L HA 0.521 4.827 4.340 -0.058 0.000 0.258 233 L C -1.479 175.423 176.870 0.054 0.000 0.973 233 L CA -0.069 54.815 54.840 0.073 0.000 0.826 233 L CB 2.815 44.909 42.059 0.059 0.000 1.372 233 L HN 0.564 nan 8.230 nan 0.000 0.409 234 S N 4.726 120.435 115.700 0.016 0.000 2.516 234 S HA 0.360 4.795 4.470 -0.058 0.000 0.268 234 S C -2.067 172.459 174.600 -0.123 0.000 1.251 234 S CA -0.884 57.288 58.200 -0.047 0.000 1.153 234 S CB 1.124 64.296 63.200 -0.046 0.000 1.009 234 S HN 0.574 nan 8.310 nan 0.000 0.479 235 P HA -0.177 nan 4.420 nan 0.000 0.216 235 P C 1.791 179.015 177.300 -0.126 0.000 1.154 235 P CA 1.403 64.461 63.100 -0.071 0.000 0.865 235 P CB -0.158 31.531 31.700 -0.018 0.000 0.789 236 T N -4.843 109.622 114.554 -0.147 0.000 3.113 236 T HA 0.037 4.352 4.350 -0.058 0.000 0.263 236 T C 0.989 175.408 174.700 -0.467 0.000 1.143 236 T CA 0.113 62.128 62.100 -0.142 0.000 1.090 236 T CB -0.612 68.274 68.868 0.029 0.000 0.922 236 T HN 0.009 nan 8.240 nan 0.000 0.521 237 S N 0.924 116.129 115.700 -0.825 0.000 2.632 237 S HA 0.402 4.838 4.470 -0.058 0.000 0.271 237 S C 1.562 175.712 174.600 -0.750 0.000 1.260 237 S CA -0.162 57.116 58.200 -1.537 0.000 1.010 237 S CB 1.284 63.787 63.200 -1.162 0.000 0.965 237 S HN 0.502 nan 8.310 nan 0.000 0.534 238 S N 2.025 117.344 115.700 -0.635 0.000 2.461 238 S HA 0.064 4.499 4.470 -0.058 0.000 0.228 238 S C 0.815 175.350 174.600 -0.109 0.000 1.005 238 S CA 0.122 58.220 58.200 -0.169 0.000 0.942 238 S CB -0.216 63.012 63.200 0.047 0.000 0.776 238 S HN 0.714 nan 8.310 nan 0.000 0.514 239 Q N 2.335 122.056 119.800 -0.132 0.000 2.300 239 Q HA 0.250 4.555 4.340 -0.058 0.000 0.262 239 Q C -0.357 175.607 176.000 -0.061 0.000 1.109 239 Q CA 0.324 56.095 55.803 -0.054 0.000 0.905 239 Q CB -0.003 28.722 28.738 -0.022 0.000 1.280 239 Q HN 0.627 nan 8.270 nan 0.000 0.426 240 N N 2.476 121.157 118.700 -0.032 0.000 2.353 240 N HA 0.027 4.732 4.740 -0.058 0.000 0.185 240 N C -0.372 175.137 175.510 -0.003 0.000 1.098 240 N CA -0.207 52.830 53.050 -0.022 0.000 0.872 240 N CB 0.459 38.937 38.487 -0.015 0.000 0.970 240 N HN 0.386 nan 8.380 nan 0.000 0.467 241 N N 2.448 121.149 118.700 0.003 0.000 2.497 241 N HA 0.137 4.843 4.740 -0.058 0.000 0.271 241 N C -2.356 173.166 175.510 0.021 0.000 1.142 241 N CA -0.789 52.269 53.050 0.013 0.000 0.965 241 N CB 0.960 39.454 38.487 0.011 0.000 1.077 241 N HN 0.134 nan 8.380 nan 0.000 0.462 242 P HA 0.231 nan 4.420 nan 0.000 0.279 242 P C -0.830 176.498 177.300 0.047 0.000 1.276 242 P CA -0.417 62.711 63.100 0.046 0.000 0.801 242 P CB 1.472 33.203 31.700 0.052 0.000 1.127 243 K N 0.602 121.038 120.400 0.060 0.000 2.376 243 K HA 0.267 4.552 4.320 -0.058 0.000 0.257 243 K C -0.637 176.000 176.600 0.060 0.000 0.939 243 K CA -0.473 55.845 56.287 0.052 0.000 0.809 243 K CB 1.148 33.680 32.500 0.055 0.000 1.121 243 K HN 0.403 nan 8.250 nan 0.000 0.425 244 E N 3.318 123.556 120.200 0.062 0.000 2.248 244 E HA 0.336 4.652 4.350 -0.058 0.000 0.267 244 E C -1.534 175.112 176.600 0.076 0.000 0.877 244 E CA -0.505 55.946 56.400 0.084 0.000 0.759 244 E CB 2.074 31.839 29.700 0.109 0.000 1.182 244 E HN 0.599 nan 8.360 nan 0.000 0.418 245 T N 4.865 119.452 114.554 0.057 0.000 2.848 245 T HA 0.416 4.731 4.350 -0.058 0.000 0.285 245 T C -0.695 174.009 174.700 0.006 0.000 0.995 245 T CA -0.820 61.256 62.100 -0.041 0.000 0.970 245 T CB 0.713 69.534 68.868 -0.078 0.000 0.976 245 T HN 0.464 nan 8.240 nan 0.000 0.441 246 H N 1.045 120.084 119.070 -0.052 0.000 2.865 246 H HA 0.756 5.277 4.556 -0.059 0.000 0.372 246 H C -1.147 174.121 175.328 -0.099 0.000 1.173 246 H CA -1.195 54.832 56.048 -0.034 0.000 1.147 246 H CB 1.851 31.625 29.762 0.021 0.000 1.805 246 H HN 0.688 nan 8.280 nan 0.000 0.553 247 N N 1.116 119.843 118.700 0.046 0.000 2.264 247 N HA 0.425 5.131 4.740 -0.058 0.000 0.288 247 N C -1.937 173.636 175.510 0.105 0.000 1.094 247 N CA -0.941 52.098 53.050 -0.019 0.000 0.817 247 N CB 2.701 41.161 38.487 -0.044 0.000 1.604 247 N HN 0.521 nan 8.380 nan 0.000 0.473 248 L N 1.073 122.383 121.223 0.145 0.000 2.386 248 L HA 0.796 5.102 4.340 -0.058 0.000 0.271 248 L C -1.499 175.446 176.870 0.125 0.000 0.993 248 L CA -0.614 54.331 54.840 0.175 0.000 0.819 248 L CB 1.974 44.195 42.059 0.269 0.000 1.294 248 L HN 0.884 nan 8.230 nan 0.000 0.414 249 M N 6.851 126.500 119.600 0.081 0.000 2.165 249 M HA 0.548 4.993 4.480 -0.058 0.000 0.283 249 M C -1.995 174.303 176.300 -0.002 0.000 0.978 249 M CA -0.609 54.715 55.300 0.040 0.000 0.948 249 M CB 1.463 34.072 32.600 0.014 0.000 1.599 249 M HN 0.506 nan 8.290 nan 0.000 0.450 250 V N 2.658 122.566 119.914 -0.010 0.000 2.577 250 V HA 1.120 5.205 4.120 -0.058 0.000 0.303 250 V C -0.323 175.729 176.094 -0.071 0.000 1.042 250 V CA -0.045 62.207 62.300 -0.080 0.000 0.872 250 V CB 1.202 33.029 31.823 0.007 0.000 0.998 250 V HN 1.037 nan 8.190 nan 0.000 0.423 251 G N 1.501 110.193 108.800 -0.180 0.000 2.349 251 G HA2 0.893 4.818 3.960 -0.058 0.000 0.294 251 G HA3 0.893 4.818 3.960 -0.058 0.000 0.294 251 G C -0.485 174.383 174.900 -0.053 0.000 1.380 251 G CA 0.229 45.294 45.100 -0.059 0.000 0.811 251 G HN 2.007 nan 8.290 nan 0.000 0.519 252 G N -1.639 107.182 108.800 0.037 0.000 2.338 252 G HA2 0.717 4.642 3.960 -0.058 0.000 0.295 252 G HA3 0.717 4.642 3.960 -0.058 0.000 0.295 252 G C -0.708 174.218 174.900 0.043 0.000 1.461 252 G CA 0.731 45.876 45.100 0.075 0.000 0.817 252 G HN 1.837 nan 8.290 nan 0.000 0.556 253 T N -1.572 113.013 114.554 0.051 0.000 2.807 253 T HA 0.828 5.144 4.350 -0.058 0.000 0.279 253 T C 0.474 175.226 174.700 0.087 0.000 0.993 253 T CA 0.382 62.504 62.100 0.035 0.000 0.970 253 T CB 1.647 70.534 68.868 0.033 0.000 0.950 253 T HN 1.933 nan 8.240 nan 0.000 0.441 254 A N 2.502 125.393 122.820 0.118 0.000 2.313 254 A HA 0.425 4.710 4.320 -0.058 0.000 0.261 254 A C 0.976 178.640 177.584 0.133 0.000 1.090 254 A CA -0.491 51.628 52.037 0.137 0.000 0.807 254 A CB -0.250 18.857 19.000 0.179 0.000 1.055 254 A HN 0.923 nan 8.150 nan 0.000 0.492 255 D N 0.391 120.857 120.400 0.109 0.000 2.221 255 D HA -0.172 4.434 4.640 -0.058 0.000 0.204 255 D C 1.377 177.744 176.300 0.112 0.000 0.982 255 D CA 1.708 55.765 54.000 0.095 0.000 0.857 255 D CB -0.105 40.739 40.800 0.074 0.000 0.934 255 D HN 0.700 nan 8.370 nan 0.000 0.475 256 N N 0.215 119.005 118.700 0.149 0.000 2.571 256 N HA -0.031 4.675 4.740 -0.058 0.000 0.189 256 N C 1.389 177.027 175.510 0.214 0.000 1.154 256 N CA 1.054 54.211 53.050 0.178 0.000 0.907 256 N CB -0.054 38.558 38.487 0.209 0.000 0.977 256 N HN 0.237 nan 8.380 nan 0.000 0.449 257 G N -1.040 107.879 108.800 0.197 0.000 2.175 257 G HA2 -0.255 3.671 3.960 -0.058 0.000 0.244 257 G HA3 -0.255 3.671 3.960 -0.058 0.000 0.244 257 G C -0.487 174.611 174.900 0.330 0.000 0.982 257 G CA 0.126 45.326 45.100 0.167 0.000 0.641 257 G HN 0.444 nan 8.290 nan 0.000 0.527 258 F N 2.122 122.243 119.950 0.285 0.000 2.404 258 F HA 0.672 5.164 4.527 -0.058 0.000 0.354 258 F C 0.473 176.391 175.800 0.195 0.000 1.122 258 F CA -0.481 57.720 58.000 0.336 0.000 1.080 258 F CB 1.355 40.522 39.000 0.279 0.000 1.131 258 F HN 0.319 nan 8.300 nan 0.000 0.471 259 G N 2.826 111.343 108.800 -0.471 0.000 2.524 259 G HA2 0.623 4.548 3.960 -0.058 0.000 0.310 259 G HA3 0.623 4.548 3.960 -0.058 0.000 0.310 259 G C -1.457 173.088 174.900 -0.591 0.000 1.279 259 G CA -0.667 44.181 45.100 -0.420 0.000 0.974 259 G HN 0.844 nan 8.290 nan 0.000 0.484 260 T N -2.211 112.122 114.554 -0.368 0.000 2.982 260 T HA 0.790 5.105 4.350 -0.058 0.000 0.321 260 T C -0.704 173.952 174.700 -0.072 0.000 1.229 260 T CA -0.364 61.603 62.100 -0.221 0.000 1.044 260 T CB 1.799 70.546 68.868 -0.201 0.000 1.184 260 T HN 1.760 nan 8.240 nan 0.000 0.477 261 A N 2.481 125.288 122.820 -0.023 0.000 2.414 261 A HA 0.817 5.102 4.320 -0.058 0.000 0.306 261 A C -0.937 176.669 177.584 0.037 0.000 1.054 261 A CA -0.975 51.065 52.037 0.005 0.000 0.724 261 A CB 1.602 20.600 19.000 -0.004 0.000 1.267 261 A HN 1.255 nan 8.150 nan 0.000 0.418 262 L N 3.138 124.391 121.223 0.049 0.000 2.265 262 L HA 0.704 5.010 4.340 -0.058 0.000 0.289 262 L C -1.518 175.406 176.870 0.089 0.000 1.033 262 L CA -0.518 54.367 54.840 0.076 0.000 0.814 262 L CB 0.498 42.604 42.059 0.079 0.000 1.203 262 L HN 0.635 nan 8.230 nan 0.000 0.423 263 L N 6.201 127.490 121.223 0.108 0.000 2.319 263 L HA 0.443 4.748 4.340 -0.058 0.000 0.281 263 L C -1.288 175.689 176.870 0.178 0.000 1.005 263 L CA -0.680 54.227 54.840 0.111 0.000 0.828 263 L CB 1.428 43.531 42.059 0.073 0.000 1.227 263 L HN 0.544 nan 8.230 nan 0.000 0.415 264 Y N 2.488 122.815 120.300 0.045 0.000 2.391 264 Y HA 0.649 5.163 4.550 -0.059 0.000 0.341 264 Y C -0.778 175.132 175.900 0.018 0.000 0.965 264 Y CA -0.675 57.452 58.100 0.045 0.000 1.067 264 Y CB 2.193 40.694 38.460 0.068 0.000 1.199 264 Y HN 0.514 nan 8.280 nan 0.000 0.450 265 S N 3.084 118.275 115.700 -0.849 0.000 2.536 265 S HA 0.902 5.337 4.470 -0.058 0.000 0.287 265 S C -0.643 173.289 174.600 -1.113 0.000 1.101 265 S CA -0.427 57.288 58.200 -0.809 0.000 0.950 265 S CB 1.829 64.802 63.200 -0.379 0.000 1.056 265 S HN 1.087 nan 8.310 nan 0.000 0.481 266 G N 0.765 108.895 108.800 -1.116 0.000 2.696 266 G HA2 0.668 4.593 3.960 -0.058 0.000 0.295 266 G HA3 0.668 4.593 3.960 -0.058 0.000 0.295 266 G C -1.499 173.021 174.900 -0.634 0.000 1.398 266 G CA -0.500 44.091 45.100 -0.848 0.000 0.920 266 G HN 0.560 nan 8.290 nan 0.000 0.492 267 T N 1.438 115.829 114.554 -0.272 0.000 2.921 267 T HA 0.677 4.993 4.350 -0.058 0.000 0.297 267 T C -0.670 174.021 174.700 -0.014 0.000 1.013 267 T CA -0.730 61.294 62.100 -0.126 0.000 0.990 267 T CB 1.652 70.458 68.868 -0.104 0.000 1.023 267 T HN 0.414 nan 8.240 nan 0.000 0.447 268 R N 1.560 122.084 120.500 0.041 0.000 2.574 268 R HA 0.841 5.146 4.340 -0.058 0.000 0.288 268 R C 0.092 176.416 176.300 0.040 0.000 1.004 268 R CA -0.582 55.552 56.100 0.056 0.000 0.895 268 R CB 1.849 32.207 30.300 0.097 0.000 1.191 268 R HN 1.078 nan 8.270 nan 0.000 0.444 269 G N 0.542 109.356 108.800 0.024 0.000 2.331 269 G HA2 -0.029 3.897 3.960 -0.058 0.000 0.402 269 G HA3 -0.029 3.897 3.960 -0.058 0.000 0.402 269 G C -1.408 173.492 174.900 0.001 0.000 1.275 269 G CA -0.840 44.271 45.100 0.018 0.000 1.003 269 G HN 0.458 nan 8.290 nan 0.000 0.500 270 S N 0.047 115.747 115.700 -0.001 0.000 2.599 270 S HA 0.734 5.170 4.470 -0.058 0.000 0.294 270 S C -0.038 174.547 174.600 -0.024 0.000 1.094 270 S CA -0.045 58.140 58.200 -0.025 0.000 0.931 270 S CB 1.888 65.076 63.200 -0.020 0.000 1.093 270 S HN 1.005 nan 8.310 nan 0.000 0.488 271 D N 0.205 120.547 120.400 -0.097 0.000 2.406 271 D HA 0.192 4.797 4.640 -0.058 0.000 0.288 271 D C 1.092 177.396 176.300 0.008 0.000 1.186 271 D CA -0.534 53.417 54.000 -0.082 0.000 1.098 271 D CB -0.290 40.250 40.800 -0.433 0.000 1.160 271 D HN 0.704 nan 8.370 nan 0.000 0.561 272 W N -1.434 119.898 121.300 0.052 0.000 2.937 272 W HA 0.299 4.930 4.660 -0.049 0.000 0.245 272 W C 0.175 176.781 176.519 0.145 0.000 1.306 272 W CA -0.571 56.788 57.345 0.023 0.000 1.470 272 W CB -0.001 29.500 29.460 0.068 0.000 1.132 272 W HN -0.253 nan 8.180 nan 0.000 0.675 273 R N 2.154 122.520 120.500 -0.223 0.000 2.486 273 R HA 0.219 4.525 4.340 -0.058 0.000 0.286 273 R C 0.406 176.712 176.300 0.009 0.000 0.999 273 R CA -0.673 55.399 56.100 -0.047 0.000 0.993 273 R CB 0.834 31.008 30.300 -0.211 0.000 1.084 273 R HN 0.048 nan 8.270 nan 0.000 0.487 274 E N 0.671 120.927 120.200 0.094 0.000 2.392 274 E HA 0.019 4.334 4.350 -0.058 0.000 0.256 274 E C -0.028 176.648 176.600 0.127 0.000 1.145 274 E CA -0.196 56.261 56.400 0.094 0.000 0.929 274 E CB 0.242 30.006 29.700 0.107 0.000 0.998 274 E HN 0.541 nan 8.360 nan 0.000 0.442 275 H N -0.163 118.904 119.070 -0.004 0.000 2.748 275 H HA -0.185 4.339 4.556 -0.053 0.000 0.322 275 H C -0.210 175.120 175.328 0.004 0.000 1.208 275 H CA 0.816 56.864 56.048 0.000 0.000 1.151 275 H CB -1.382 28.377 29.762 -0.005 0.000 1.505 275 H HN 0.343 nan 8.280 nan 0.000 0.429 276 S N -0.957 114.688 115.700 -0.091 0.000 2.960 276 S HA 0.572 5.007 4.470 -0.058 0.000 0.256 276 S C 0.842 175.391 174.600 -0.086 0.000 1.017 276 S CA -0.104 58.031 58.200 -0.109 0.000 1.144 276 S CB 0.367 63.498 63.200 -0.116 0.000 1.109 276 S HN 0.853 nan 8.310 nan 0.000 0.638 277 A N 1.821 124.591 122.820 -0.084 0.000 2.573 277 A HA 0.465 4.750 4.320 -0.058 0.000 0.250 277 A C 0.367 177.930 177.584 -0.036 0.000 1.049 277 A CA 0.593 52.603 52.037 -0.046 0.000 0.767 277 A CB -0.327 18.652 19.000 -0.036 0.000 0.965 277 A HN 0.438 nan 8.150 nan 0.000 0.514 278 T N 2.512 117.057 114.554 -0.015 0.000 2.900 278 T HA 0.705 5.021 4.350 -0.058 0.000 0.295 278 T C -0.251 174.451 174.700 0.004 0.000 1.044 278 T CA -0.608 61.492 62.100 -0.001 0.000 0.995 278 T CB 1.458 70.329 68.868 0.005 0.000 1.072 278 T HN 0.778 nan 8.240 nan 0.000 0.473 279 R N 2.296 122.799 120.500 0.004 0.000 2.515 279 R HA 0.686 4.991 4.340 -0.058 0.000 0.291 279 R C -1.869 174.408 176.300 -0.038 0.000 1.046 279 R CA -0.530 55.568 56.100 -0.004 0.000 0.914 279 R CB 0.883 31.185 30.300 0.003 0.000 1.191 279 R HN 0.642 nan 8.270 nan 0.000 0.435 280 I N 3.219 123.741 120.570 -0.080 0.000 2.619 280 I HA 0.340 4.475 4.170 -0.058 0.000 0.292 280 I C -1.111 174.875 176.117 -0.219 0.000 1.100 280 I CA -0.894 60.282 61.300 -0.206 0.000 1.043 280 I CB 2.550 40.431 38.000 -0.199 0.000 1.239 280 I HN 0.516 nan 8.210 nan 0.000 0.420 281 D N 4.854 125.079 120.400 -0.291 0.000 2.542 281 D HA 0.216 4.821 4.640 -0.058 0.000 0.252 281 D C -1.334 174.862 176.300 -0.173 0.000 1.222 281 D CA -0.221 53.747 54.000 -0.052 0.000 0.895 281 D CB 2.471 43.365 40.800 0.155 0.000 1.207 281 D HN 0.375 nan 8.370 nan 0.000 0.558 282 D N 2.843 123.163 120.400 -0.133 0.000 2.441 282 D HA 0.289 4.895 4.640 -0.058 0.000 0.231 282 D C -1.150 175.257 176.300 0.179 0.000 1.073 282 D CA -0.572 53.421 54.000 -0.012 0.000 0.850 282 D CB 1.032 41.832 40.800 0.000 0.000 1.062 282 D HN 0.137 nan 8.370 nan 0.000 0.524 283 L N 4.617 126.008 121.223 0.281 0.000 2.333 283 L HA 0.575 4.880 4.340 -0.058 0.000 0.280 283 L C -1.173 175.832 176.870 0.226 0.000 1.004 283 L CA -0.305 54.726 54.840 0.319 0.000 0.820 283 L CB 1.282 43.524 42.059 0.305 0.000 1.247 283 L HN 0.337 nan 8.230 nan 0.000 0.416 284 M N 5.555 125.264 119.600 0.182 0.000 2.591 284 M HA 0.498 4.943 4.480 -0.058 0.000 0.306 284 M C -1.538 174.835 176.300 0.123 0.000 1.190 284 M CA -0.819 54.567 55.300 0.144 0.000 0.889 284 M CB 2.428 35.096 32.600 0.114 0.000 1.728 284 M HN 0.455 nan 8.290 nan 0.000 0.458 285 L N 2.720 124.012 121.223 0.116 0.000 2.377 285 L HA 0.510 4.815 4.340 -0.058 0.000 0.270 285 L C -0.947 175.981 176.870 0.096 0.000 0.991 285 L CA -0.067 54.834 54.840 0.101 0.000 0.851 285 L CB 1.100 43.222 42.059 0.106 0.000 1.218 285 L HN 0.622 nan 8.230 nan 0.000 0.420 286 K N 3.006 123.451 120.400 0.074 0.000 2.206 286 K HA 0.753 5.038 4.320 -0.058 0.000 0.264 286 K C -1.003 175.622 176.600 0.042 0.000 0.967 286 K CA -0.319 56.008 56.287 0.067 0.000 0.844 286 K CB 1.161 33.692 32.500 0.051 0.000 1.099 286 K HN 0.666 nan 8.250 nan 0.000 0.441 287 S N 2.748 118.491 115.700 0.071 0.000 2.548 287 S HA 0.446 4.882 4.470 -0.058 0.000 0.286 287 S C -1.526 173.139 174.600 0.108 0.000 1.098 287 S CA -0.836 57.387 58.200 0.038 0.000 0.930 287 S CB 1.780 65.065 63.200 0.142 0.000 1.070 287 S HN 0.590 nan 8.310 nan 0.000 0.480 288 K N 1.613 122.052 120.400 0.065 0.000 2.513 288 K HA 0.474 4.759 4.320 -0.058 0.000 0.251 288 K C -2.307 174.506 176.600 0.354 0.000 0.939 288 K CA -0.600 55.804 56.287 0.195 0.000 0.793 288 K CB 1.445 34.009 32.500 0.107 0.000 1.241 288 K HN 0.647 nan 8.250 nan 0.000 0.431 289 Y N 2.457 122.967 120.300 0.350 0.000 2.332 289 Y HA 0.574 5.090 4.550 -0.058 0.000 0.326 289 Y C -1.385 174.761 175.900 0.409 0.000 0.978 289 Y CA -0.816 57.538 58.100 0.424 0.000 1.205 289 Y CB 1.847 40.560 38.460 0.421 0.000 1.131 289 Y HN 0.623 nan 8.280 nan 0.000 0.462 290 A N 9.186 131.972 122.820 -0.057 0.000 3.105 290 A HA 0.406 4.691 4.320 -0.058 0.000 0.336 290 A C -1.978 175.468 177.584 -0.230 0.000 1.042 290 A CA -1.285 50.705 52.037 -0.078 0.000 0.851 290 A CB 0.029 19.046 19.000 0.029 0.000 1.068 290 A HN 0.616 nan 8.150 nan 0.000 0.477 291 P HA -0.171 nan 4.420 nan 0.000 0.216 291 P C 0.064 177.336 177.300 -0.046 0.000 1.153 291 P CA 2.072 64.994 63.100 -0.298 0.000 0.858 291 P CB 0.106 31.671 31.700 -0.226 0.000 0.789 292 D N -2.199 118.209 120.400 0.013 0.000 2.837 292 D HA 0.181 4.786 4.640 -0.058 0.000 0.294 292 D C 0.325 176.637 176.300 0.019 0.000 1.158 292 D CA -0.782 53.241 54.000 0.038 0.000 1.073 292 D CB -0.033 40.813 40.800 0.078 0.000 1.419 292 D HN -0.173 nan 8.370 nan 0.000 0.584 293 E N -0.981 119.218 120.200 -0.001 0.000 2.437 293 E HA 0.163 4.478 4.350 -0.058 0.000 0.189 293 E C 0.631 177.186 176.600 -0.075 0.000 1.054 293 E CA 0.031 56.415 56.400 -0.026 0.000 0.874 293 E CB 0.627 30.313 29.700 -0.023 0.000 1.011 293 E HN 0.237 nan 8.360 nan 0.000 0.474 294 V N -0.025 119.821 119.914 -0.114 0.000 3.013 294 V HA 0.025 4.110 4.120 -0.058 0.000 0.238 294 V C 0.432 176.376 176.094 -0.250 0.000 1.161 294 V CA 0.371 62.511 62.300 -0.266 0.000 1.170 294 V CB 0.272 31.858 31.823 -0.394 0.000 0.917 294 V HN 0.239 nan 8.190 nan 0.000 0.478 295 H N 1.955 121.119 119.070 0.156 0.000 2.504 295 H HA 0.611 5.132 4.556 -0.058 0.000 0.322 295 H C -0.222 175.182 175.328 0.126 0.000 1.055 295 H CA 0.167 56.334 56.048 0.197 0.000 1.231 295 H CB 1.467 31.473 29.762 0.407 0.000 1.417 295 H HN 0.369 nan 8.280 nan 0.000 0.472 296 T N 1.117 115.718 114.554 0.079 0.000 2.928 296 T HA 0.570 4.885 4.350 -0.058 0.000 0.296 296 T C -0.665 174.084 174.700 0.082 0.000 1.000 296 T CA -0.733 61.449 62.100 0.137 0.000 0.989 296 T CB 0.677 69.578 68.868 0.054 0.000 1.005 296 T HN 0.098 nan 8.240 nan 0.000 0.442 297 F N 2.612 122.763 119.950 0.334 0.000 2.483 297 F HA 0.682 5.174 4.527 -0.058 0.000 0.329 297 F C 0.713 176.681 175.800 0.281 0.000 1.064 297 F CA -0.889 57.332 58.000 0.368 0.000 0.986 297 F CB 1.808 41.068 39.000 0.432 0.000 1.218 297 F HN 0.847 nan 8.300 nan 0.000 0.484 298 N N -0.133 118.816 118.700 0.415 0.000 2.308 298 N HA 0.593 5.298 4.740 -0.058 0.000 0.283 298 N C -1.852 173.816 175.510 0.264 0.000 1.105 298 N CA -0.686 52.536 53.050 0.286 0.000 0.840 298 N CB 2.306 40.905 38.487 0.186 0.000 1.633 298 N HN 0.590 nan 8.380 nan 0.000 0.476 299 S N 0.541 116.375 115.700 0.222 0.000 2.564 299 S HA 0.726 5.161 4.470 -0.058 0.000 0.274 299 S C -1.331 173.363 174.600 0.158 0.000 1.124 299 S CA -0.811 57.508 58.200 0.199 0.000 0.869 299 S CB 1.914 65.241 63.200 0.211 0.000 1.105 299 S HN 0.576 nan 8.310 nan 0.000 0.472 300 L N 1.961 123.275 121.223 0.152 0.000 2.482 300 L HA 0.662 4.967 4.340 -0.058 0.000 0.269 300 L C -1.903 175.051 176.870 0.140 0.000 0.967 300 L CA -0.515 54.402 54.840 0.129 0.000 0.851 300 L CB 1.423 43.546 42.059 0.107 0.000 1.242 300 L HN 0.899 nan 8.230 nan 0.000 0.404 301 L N 4.625 125.930 121.223 0.137 0.000 2.346 301 L HA 0.705 5.011 4.340 -0.058 0.000 0.276 301 L C -0.685 176.276 176.870 0.151 0.000 1.006 301 L CA -0.457 54.473 54.840 0.150 0.000 0.817 301 L CB 1.984 44.132 42.059 0.147 0.000 1.272 301 L HN 0.686 nan 8.230 nan 0.000 0.421 302 Q N 2.453 122.354 119.800 0.168 0.000 2.340 302 Q HA 0.351 4.657 4.340 -0.058 0.000 0.276 302 Q C -2.173 173.971 176.000 0.240 0.000 1.048 302 Q CA -0.728 55.185 55.803 0.182 0.000 0.832 302 Q CB 2.921 31.739 28.738 0.133 0.000 1.373 302 Q HN 0.568 nan 8.270 nan 0.000 0.409 303 Y N 3.631 124.008 120.300 0.129 0.000 2.363 303 Y HA 0.423 4.938 4.550 -0.058 0.000 0.325 303 Y C -2.242 173.753 175.900 0.158 0.000 0.984 303 Y CA -0.706 57.470 58.100 0.127 0.000 1.248 303 Y CB 1.142 39.658 38.460 0.093 0.000 1.116 303 Y HN 0.693 nan 8.280 nan 0.000 0.470 304 Y N 5.278 125.363 120.300 -0.358 0.000 2.352 304 Y HA 0.561 5.076 4.550 -0.058 0.000 0.339 304 Y C -1.327 174.336 175.900 -0.395 0.000 0.992 304 Y CA -0.765 57.187 58.100 -0.246 0.000 1.100 304 Y CB 1.391 39.768 38.460 -0.139 0.000 1.192 304 Y HN 0.727 nan 8.280 nan 0.000 0.458 305 D N 3.598 123.674 120.400 -0.540 0.000 2.970 305 D HA 0.641 5.247 4.640 -0.058 0.000 0.230 305 D C -0.907 175.211 176.300 -0.304 0.000 1.276 305 D CA -0.191 53.625 54.000 -0.306 0.000 0.910 305 D CB 1.522 42.213 40.800 -0.182 0.000 1.590 305 D HN 0.887 nan 8.370 nan 0.000 0.551 306 G N 1.992 110.732 108.800 -0.100 0.000 2.684 306 G HA2 0.679 4.604 3.960 -0.058 0.000 0.290 306 G HA3 0.679 4.604 3.960 -0.058 0.000 0.290 306 G C -1.630 173.322 174.900 0.086 0.000 1.425 306 G CA -0.883 44.195 45.100 -0.037 0.000 0.822 306 G HN 0.547 nan 8.290 nan 0.000 0.482 307 E N -1.488 118.759 120.200 0.080 0.000 2.375 307 E HA 0.672 4.987 4.350 -0.058 0.000 0.280 307 E C -1.253 175.392 176.600 0.075 0.000 0.972 307 E CA -1.181 55.292 56.400 0.122 0.000 0.782 307 E CB 2.000 31.744 29.700 0.073 0.000 1.229 307 E HN 1.556 nan 8.360 nan 0.000 0.439 308 A N 2.293 125.159 122.820 0.076 0.000 2.577 308 A HA 0.440 4.725 4.320 -0.058 0.000 0.297 308 A C -1.575 176.013 177.584 0.006 0.000 1.060 308 A CA -0.906 51.144 52.037 0.021 0.000 0.697 308 A CB 1.533 20.546 19.000 0.023 0.000 1.281 308 A HN 0.599 nan 8.150 nan 0.000 0.402 309 D N 1.340 121.685 120.400 -0.092 0.000 2.339 309 D HA 0.496 5.101 4.640 -0.058 0.000 0.245 309 D C -0.221 175.978 176.300 -0.168 0.000 1.115 309 D CA 0.496 54.325 54.000 -0.285 0.000 0.917 309 D CB 1.019 41.365 40.800 -0.757 0.000 1.192 309 D HN 0.504 nan 8.370 nan 0.000 0.428 310 M N 2.523 122.094 119.600 -0.048 0.000 2.072 310 M HA 0.210 4.656 4.480 -0.058 0.000 0.331 310 M C -1.819 174.618 176.300 0.227 0.000 1.004 310 M CA -1.760 53.624 55.300 0.139 0.000 0.952 310 M CB 2.294 35.033 32.600 0.232 0.000 1.511 310 M HN 0.014 nan 8.290 nan 0.000 0.422 311 P HA -0.122 nan 4.420 nan 0.000 0.215 311 P C 0.567 177.902 177.300 0.058 0.000 1.163 311 P CA 1.570 64.744 63.100 0.122 0.000 0.894 311 P CB 0.125 31.838 31.700 0.021 0.000 0.791 312 G N -2.100 106.726 108.800 0.043 0.000 2.756 312 G HA2 0.158 4.083 3.960 -0.058 0.000 0.678 312 G HA3 0.158 4.083 3.960 -0.058 0.000 0.678 312 G C 0.105 174.591 174.900 -0.690 0.000 1.349 312 G CA -0.775 44.276 45.100 -0.082 0.000 0.847 312 G HN 0.449 nan 8.290 nan 0.000 0.548 313 G N -1.253 107.164 108.800 -0.638 0.000 2.477 313 G HA2 0.726 4.652 3.960 -0.058 0.000 0.304 313 G HA3 0.726 4.652 3.960 -0.058 0.000 0.304 313 G C -0.112 174.609 174.900 -0.299 0.000 1.175 313 G CA -0.799 43.848 45.100 -0.754 0.000 0.907 313 G HN 0.921 nan 8.290 nan 0.000 0.509 314 L N 0.519 121.610 121.223 -0.220 0.000 2.333 314 L HA 0.445 4.750 4.340 -0.058 0.000 0.269 314 L C 0.921 177.744 176.870 -0.077 0.000 1.010 314 L CA -0.932 53.850 54.840 -0.096 0.000 0.818 314 L CB 2.194 44.248 42.059 -0.008 0.000 1.306 314 L HN 0.717 nan 8.230 nan 0.000 0.430 315 S N 0.635 116.309 115.700 -0.042 0.000 2.617 315 S HA 0.141 4.576 4.470 -0.058 0.000 0.259 315 S C 0.890 175.468 174.600 -0.037 0.000 1.301 315 S CA -0.411 57.767 58.200 -0.037 0.000 0.984 315 S CB 1.194 64.383 63.200 -0.018 0.000 0.954 315 S HN 0.695 nan 8.310 nan 0.000 0.572 316 R N 1.070 121.542 120.500 -0.046 0.000 2.081 316 R HA -0.016 4.290 4.340 -0.058 0.000 0.235 316 R C 2.303 178.616 176.300 0.022 0.000 1.131 316 R CA 2.166 58.244 56.100 -0.038 0.000 0.960 316 R CB -1.657 28.618 30.300 -0.042 0.000 0.856 316 R HN 0.816 nan 8.270 nan 0.000 0.436 317 A N 0.764 123.589 122.820 0.008 0.000 1.877 317 A HA -0.162 4.123 4.320 -0.058 0.000 0.216 317 A C 1.823 179.409 177.584 0.003 0.000 1.186 317 A CA 1.946 53.987 52.037 0.006 0.000 0.620 317 A CB -0.724 18.276 19.000 -0.000 0.000 0.822 317 A HN 0.458 nan 8.150 nan 0.000 0.443 318 D N -1.890 118.511 120.400 0.003 0.000 2.144 318 D HA -0.130 4.476 4.640 -0.058 0.000 0.200 318 D C 1.678 177.966 176.300 -0.020 0.000 0.978 318 D CA 1.391 55.383 54.000 -0.012 0.000 0.833 318 D CB -0.420 40.371 40.800 -0.015 0.000 0.961 318 D HN 0.606 nan 8.370 nan 0.000 0.470 319 Y N 1.927 122.149 120.300 -0.130 0.000 2.181 319 Y HA -0.195 4.319 4.550 -0.060 0.000 0.288 319 Y C 1.695 177.494 175.900 -0.168 0.000 1.146 319 Y CA 1.573 59.569 58.100 -0.175 0.000 1.164 319 Y CB -0.020 38.316 38.460 -0.207 0.000 0.982 319 Y HN -0.182 nan 8.280 nan 0.000 0.515 320 D N -0.148 120.222 120.400 -0.050 0.000 2.144 320 D HA -0.137 4.468 4.640 -0.058 0.000 0.200 320 D C 2.215 178.427 176.300 -0.146 0.000 0.978 320 D CA 1.394 55.332 54.000 -0.104 0.000 0.833 320 D CB -0.450 40.343 40.800 -0.012 0.000 0.961 320 D HN 0.475 nan 8.370 nan 0.000 0.470 321 A N -0.443 122.311 122.820 -0.110 0.000 1.897 321 A HA -0.046 4.239 4.320 -0.058 0.000 0.215 321 A C 0.693 178.202 177.584 -0.125 0.000 1.181 321 A CA 1.097 53.080 52.037 -0.089 0.000 0.620 321 A CB 0.301 19.270 19.000 -0.051 0.000 0.821 321 A HN 0.123 nan 8.150 nan 0.000 0.443 322 D N -1.951 118.333 120.400 -0.193 0.000 2.369 322 D HA 0.110 4.715 4.640 -0.058 0.000 0.212 322 D C 0.445 176.518 176.300 -0.379 0.000 1.326 322 D CA -0.369 53.496 54.000 -0.226 0.000 0.933 322 D CB 0.533 41.294 40.800 -0.065 0.000 1.516 322 D HN 0.323 nan 8.370 nan 0.000 0.557 323 R N 1.902 121.946 120.500 -0.760 0.000 2.310 323 R HA 0.160 4.465 4.340 -0.058 0.000 0.202 323 R C 0.569 176.538 176.300 -0.551 0.000 0.933 323 R CA 0.018 55.603 56.100 -0.859 0.000 1.054 323 R CB -0.089 29.309 30.300 -1.503 0.000 0.985 323 R HN 0.339 nan 8.270 nan 0.000 0.489 324 W N 2.467 123.754 121.300 -0.020 0.000 2.588 324 W HA 0.063 4.682 4.660 -0.069 0.000 0.277 324 W C 0.976 177.503 176.519 0.013 0.000 1.221 324 W CA -0.629 56.742 57.345 0.045 0.000 1.355 324 W CB 0.054 29.546 29.460 0.052 0.000 1.083 324 W HN 0.119 nan 8.180 nan 0.000 0.581 325 Q N 1.616 121.513 119.800 0.163 0.000 2.624 325 Q HA 0.075 4.380 4.340 -0.058 0.000 0.256 325 Q C 0.013 176.031 176.000 0.031 0.000 1.119 325 Q CA 0.445 56.297 55.803 0.081 0.000 0.995 325 Q CB 0.919 29.675 28.738 0.029 0.000 1.318 325 Q HN -0.082 nan 8.270 nan 0.000 0.534 326 S N -0.307 115.394 115.700 0.002 0.000 2.521 326 S HA 0.376 4.811 4.470 -0.058 0.000 0.295 326 S C -0.294 174.254 174.600 -0.087 0.000 1.098 326 S CA -0.206 57.973 58.200 -0.034 0.000 0.999 326 S CB 1.577 64.781 63.200 0.006 0.000 1.034 326 S HN 0.723 nan 8.310 nan 0.000 0.483 327 T N 1.768 116.269 114.554 -0.089 0.000 3.248 327 T HA 0.426 4.741 4.350 -0.058 0.000 0.271 327 T C 0.076 174.716 174.700 -0.100 0.000 1.005 327 T CA -0.579 61.465 62.100 -0.094 0.000 0.902 327 T CB -0.100 68.733 68.868 -0.059 0.000 1.102 327 T HN 0.440 nan 8.240 nan 0.000 0.548 328 R N 1.822 122.242 120.500 -0.134 0.000 2.738 328 R HA 0.266 4.572 4.340 -0.058 0.000 0.280 328 R C -2.287 173.845 176.300 -0.281 0.000 1.456 328 R CA -1.723 54.321 56.100 -0.093 0.000 1.612 328 R CB 0.809 31.125 30.300 0.028 0.000 1.286 328 R HN 0.248 nan 8.270 nan 0.000 0.660 329 P HA -0.150 nan 4.420 nan 0.000 0.221 329 P C 0.467 177.441 177.300 -0.545 0.000 1.145 329 P CA 1.261 63.884 63.100 -0.796 0.000 0.795 329 P CB 0.204 31.456 31.700 -0.746 0.000 0.775 330 Y N -0.215 120.077 120.300 -0.013 0.000 2.510 330 Y HA 0.139 4.692 4.550 0.006 0.000 0.273 330 Y C 0.764 176.819 175.900 0.259 0.000 1.119 330 Y CA -0.539 57.618 58.100 0.095 0.000 1.286 330 Y CB -1.045 37.444 38.460 0.048 0.000 1.061 330 Y HN -0.111 nan 8.280 nan 0.000 0.542 331 D N 1.969 122.611 120.400 0.403 0.000 2.412 331 D HA 0.188 4.794 4.640 -0.058 0.000 0.257 331 D C 0.177 176.733 176.300 0.427 0.000 1.217 331 D CA 0.494 54.734 54.000 0.400 0.000 0.897 331 D CB 0.397 41.386 40.800 0.314 0.000 1.132 331 D HN 0.166 nan 8.370 nan 0.000 0.493 332 R N 2.251 122.986 120.500 0.393 0.000 2.643 332 R HA 0.535 4.841 4.340 -0.058 0.000 0.269 332 R C -1.965 174.492 176.300 0.260 0.000 1.037 332 R CA -0.787 55.524 56.100 0.351 0.000 0.894 332 R CB 1.281 31.890 30.300 0.516 0.000 1.238 332 R HN 0.321 nan 8.270 nan 0.000 0.459 333 F N 4.040 123.984 119.950 -0.011 0.000 2.565 333 F HA 0.734 5.224 4.527 -0.063 0.000 0.313 333 F C -1.714 174.046 175.800 -0.068 0.000 1.091 333 F CA -0.299 57.545 58.000 -0.260 0.000 0.915 333 F CB 1.433 40.117 39.000 -0.526 0.000 1.208 333 F HN 0.634 nan 8.300 nan 0.000 0.453 334 W N 3.542 124.333 121.300 -0.849 0.000 3.137 334 W HA 0.884 5.504 4.660 -0.065 0.000 0.324 334 W C -1.135 175.008 176.519 -0.626 0.000 1.253 334 W CA -1.443 55.606 57.345 -0.493 0.000 1.183 334 W CB 1.125 30.400 29.460 -0.308 0.000 1.424 334 W HN 0.857 nan 8.180 nan 0.000 0.566 335 G N 1.118 109.892 108.800 -0.043 0.000 2.489 335 G HA2 0.651 4.576 3.960 -0.058 0.000 0.291 335 G HA3 0.651 4.576 3.960 -0.058 0.000 0.291 335 G C -1.934 173.006 174.900 0.068 0.000 1.487 335 G CA -1.172 43.884 45.100 -0.074 0.000 0.795 335 G HN 1.073 nan 8.290 nan 0.000 0.513 336 R N -1.044 119.463 120.500 0.011 0.000 2.739 336 R HA 0.887 5.192 4.340 -0.058 0.000 0.271 336 R C -1.123 175.144 176.300 -0.054 0.000 1.010 336 R CA -1.230 54.858 56.100 -0.019 0.000 0.897 336 R CB 2.235 32.465 30.300 -0.116 0.000 1.236 336 R HN 0.682 nan 8.270 nan 0.000 0.466 337 R N 1.383 121.835 120.500 -0.081 0.000 2.621 337 R HA 0.431 4.737 4.340 -0.058 0.000 0.284 337 R C -1.509 174.752 176.300 -0.065 0.000 0.998 337 R CA -0.649 55.407 56.100 -0.072 0.000 0.895 337 R CB 2.118 32.379 30.300 -0.065 0.000 1.195 337 R HN 0.718 nan 8.270 nan 0.000 0.450 338 K N 4.358 124.754 120.400 -0.007 0.000 2.323 338 K HA 0.454 4.739 4.320 -0.058 0.000 0.259 338 K C -1.381 175.254 176.600 0.058 0.000 0.947 338 K CA -0.748 55.597 56.287 0.097 0.000 0.819 338 K CB 1.958 34.560 32.500 0.170 0.000 1.109 338 K HN 0.524 nan 8.250 nan 0.000 0.429 339 L N 1.869 123.158 121.223 0.110 0.000 2.408 339 L HA 0.753 5.058 4.340 -0.058 0.000 0.268 339 L C -1.602 175.375 176.870 0.178 0.000 0.986 339 L CA -0.477 54.430 54.840 0.112 0.000 0.820 339 L CB 1.800 43.906 42.059 0.078 0.000 1.303 339 L HN 0.787 nan 8.230 nan 0.000 0.411 340 A N 3.079 126.039 122.820 0.233 0.000 2.359 340 A HA 0.743 5.028 4.320 -0.058 0.000 0.303 340 A C -1.133 176.617 177.584 0.277 0.000 1.066 340 A CA -0.409 51.779 52.037 0.252 0.000 0.730 340 A CB 1.915 21.088 19.000 0.288 0.000 1.211 340 A HN 0.561 nan 8.150 nan 0.000 0.439 341 S N 1.360 117.201 115.700 0.234 0.000 2.547 341 S HA 0.750 5.185 4.470 -0.058 0.000 0.281 341 S C -1.727 173.005 174.600 0.219 0.000 1.118 341 S CA -0.407 57.942 58.200 0.248 0.000 0.947 341 S CB 1.135 64.459 63.200 0.206 0.000 1.053 341 S HN 1.295 nan 8.310 nan 0.000 0.482 342 L N 3.883 125.242 121.223 0.227 0.000 2.431 342 L HA 0.948 5.253 4.340 -0.058 0.000 0.266 342 L C -0.174 176.835 176.870 0.231 0.000 0.978 342 L CA 0.197 55.175 54.840 0.230 0.000 0.822 342 L CB 1.764 43.956 42.059 0.223 0.000 1.310 342 L HN 0.798 nan 8.230 nan 0.000 0.409 343 G N 2.219 111.167 108.800 0.247 0.000 2.642 343 G HA2 0.567 4.493 3.960 -0.058 0.000 0.293 343 G HA3 0.567 4.493 3.960 -0.058 0.000 0.293 343 G C -2.498 172.557 174.900 0.258 0.000 1.341 343 G CA -0.455 44.774 45.100 0.214 0.000 0.916 343 G HN 0.571 nan 8.290 nan 0.000 0.474 344 Y N 0.111 120.421 120.300 0.017 0.000 2.470 344 Y HA 0.682 5.198 4.550 -0.058 0.000 0.341 344 Y C -0.710 175.153 175.900 -0.062 0.000 1.021 344 Y CA -0.991 57.044 58.100 -0.109 0.000 1.025 344 Y CB 2.409 40.804 38.460 -0.108 0.000 1.266 344 Y HN 0.626 nan 8.280 nan 0.000 0.448 345 Q N 6.257 125.571 119.800 -0.809 0.000 2.304 345 Q HA 0.453 4.759 4.340 -0.058 0.000 0.270 345 Q C -2.313 173.329 176.000 -0.597 0.000 1.035 345 Q CA -0.830 54.634 55.803 -0.565 0.000 0.781 345 Q CB 1.569 30.155 28.738 -0.253 0.000 1.261 345 Q HN 0.664 nan 8.270 nan 0.000 0.444 346 F N 3.858 123.572 119.950 -0.393 0.000 2.403 346 F HA 0.360 4.852 4.527 -0.058 0.000 0.355 346 F C -1.109 174.702 175.800 0.018 0.000 1.119 346 F CA -0.408 57.526 58.000 -0.110 0.000 1.007 346 F CB 1.561 40.675 39.000 0.190 0.000 1.194 346 F HN 0.601 nan 8.300 nan 0.000 0.443 347 Q N 9.398 128.911 119.800 -0.478 0.000 2.558 347 Q HA 0.361 4.666 4.340 -0.058 0.000 0.252 347 Q C -2.176 173.494 176.000 -0.551 0.000 1.015 347 Q CA -2.055 53.490 55.803 -0.430 0.000 0.720 347 Q CB 1.736 30.352 28.738 -0.205 0.000 1.215 347 Q HN 0.409 nan 8.270 nan 0.000 0.500 348 P HA -0.123 nan 4.420 nan 0.000 0.214 348 P C -0.415 176.761 177.300 -0.206 0.000 1.162 348 P CA 1.283 64.091 63.100 -0.486 0.000 0.879 348 P CB 0.355 31.794 31.700 -0.436 0.000 0.786 349 D N -2.215 118.120 120.400 -0.109 0.000 2.636 349 D HA 0.178 4.783 4.640 -0.058 0.000 0.275 349 D C 0.612 176.916 176.300 0.007 0.000 1.130 349 D CA -0.655 53.336 54.000 -0.015 0.000 1.031 349 D CB 0.019 40.854 40.800 0.058 0.000 1.451 349 D HN -0.176 nan 8.370 nan 0.000 0.505 350 S N -1.367 114.339 115.700 0.010 0.000 2.595 350 S HA -0.109 4.327 4.470 -0.058 0.000 0.235 350 S C 1.047 175.638 174.600 -0.015 0.000 0.974 350 S CA 0.606 58.802 58.200 -0.007 0.000 0.942 350 S CB -0.336 62.860 63.200 -0.007 0.000 0.766 350 S HN 0.437 nan 8.310 nan 0.000 0.536 351 Q N -0.065 119.744 119.800 0.016 0.000 2.350 351 Q HA 0.313 4.618 4.340 -0.058 0.000 0.225 351 Q C -0.615 175.178 176.000 -0.345 0.000 0.878 351 Q CA 0.439 56.166 55.803 -0.126 0.000 0.935 351 Q CB 0.569 29.229 28.738 -0.130 0.000 1.099 351 Q HN 0.738 nan 8.270 nan 0.000 0.527 352 H N -0.707 118.333 119.070 -0.050 0.000 2.600 352 H HA 0.607 5.128 4.556 -0.058 0.000 0.357 352 H C -1.128 174.128 175.328 -0.120 0.000 1.106 352 H CA -0.840 55.163 56.048 -0.074 0.000 1.193 352 H CB 1.562 31.361 29.762 0.062 0.000 1.594 352 H HN -0.222 nan 8.280 nan 0.000 0.526 353 K N 2.724 123.074 120.400 -0.083 0.000 2.588 353 K HA 0.346 4.631 4.320 -0.058 0.000 0.250 353 K C -1.971 174.681 176.600 0.087 0.000 0.972 353 K CA -0.654 55.615 56.287 -0.031 0.000 0.821 353 K CB 1.506 33.954 32.500 -0.087 0.000 1.249 353 K HN 0.416 nan 8.250 nan 0.000 0.442 354 F N 3.476 123.524 119.950 0.163 0.000 2.469 354 F HA 0.593 5.085 4.527 -0.057 0.000 0.332 354 F C -1.184 174.704 175.800 0.146 0.000 1.103 354 F CA -0.430 57.766 58.000 0.327 0.000 0.979 354 F CB 1.415 40.716 39.000 0.500 0.000 1.137 354 F HN 0.562 nan 8.300 nan 0.000 0.463 355 N N 5.893 124.037 118.700 -0.927 0.000 2.310 355 N HA 0.572 5.278 4.740 -0.058 0.000 0.292 355 N C -1.791 173.230 175.510 -0.814 0.000 1.049 355 N CA -0.576 52.039 53.050 -0.724 0.000 0.849 355 N CB 2.518 40.828 38.487 -0.296 0.000 1.532 355 N HN 0.700 nan 8.380 nan 0.000 0.479 356 I N 1.063 121.367 120.570 -0.443 0.000 2.533 356 I HA 0.471 4.606 4.170 -0.058 0.000 0.290 356 I C -1.587 174.552 176.117 0.037 0.000 1.056 356 I CA -0.508 60.719 61.300 -0.121 0.000 1.057 356 I CB 1.681 39.758 38.000 0.129 0.000 1.240 356 I HN 0.446 nan 8.210 nan 0.000 0.423 357 Q N 4.419 124.267 119.800 0.079 0.000 2.305 357 Q HA 0.736 5.042 4.340 -0.058 0.000 0.271 357 Q C -1.075 175.037 176.000 0.186 0.000 1.046 357 Q CA -0.565 55.321 55.803 0.138 0.000 0.798 357 Q CB 2.334 31.146 28.738 0.123 0.000 1.286 357 Q HN 0.814 nan 8.270 nan 0.000 0.435 358 G N 2.057 110.982 108.800 0.209 0.000 2.482 358 G HA2 0.769 4.695 3.960 -0.058 0.000 0.317 358 G HA3 0.769 4.695 3.960 -0.058 0.000 0.317 358 G C -1.548 173.518 174.900 0.277 0.000 1.241 358 G CA -0.601 44.608 45.100 0.182 0.000 0.967 358 G HN 0.553 nan 8.290 nan 0.000 0.482 359 F N -0.067 119.971 119.950 0.146 0.000 2.686 359 F HA 0.829 5.321 4.527 -0.058 0.000 0.311 359 F C -2.121 173.829 175.800 0.249 0.000 1.128 359 F CA -2.048 56.052 58.000 0.167 0.000 0.946 359 F CB 1.976 41.044 39.000 0.114 0.000 1.336 359 F HN 0.597 nan 8.300 nan 0.000 0.457 360 Y N 1.390 121.866 120.300 0.294 0.000 2.442 360 Y HA 0.616 5.132 4.550 -0.057 0.000 0.330 360 Y C -1.382 174.701 175.900 0.304 0.000 1.100 360 Y CA -0.530 57.695 58.100 0.208 0.000 1.034 360 Y CB 1.944 40.485 38.460 0.135 0.000 1.285 360 Y HN 1.031 nan 8.280 nan 0.000 0.440 361 T N 3.226 117.577 114.554 -0.339 0.000 2.893 361 T HA 0.510 4.826 4.350 -0.058 0.000 0.293 361 T C -1.337 173.030 174.700 -0.555 0.000 1.027 361 T CA -0.897 61.011 62.100 -0.320 0.000 0.988 361 T CB 2.126 70.973 68.868 -0.034 0.000 1.043 361 T HN 0.728 nan 8.240 nan 0.000 0.461 362 Q N 1.419 120.983 119.800 -0.392 0.000 2.330 362 Q HA 0.579 4.884 4.340 -0.058 0.000 0.269 362 Q C -1.432 174.439 176.000 -0.217 0.000 1.022 362 Q CA -0.599 55.009 55.803 -0.324 0.000 0.796 362 Q CB 1.807 30.471 28.738 -0.123 0.000 1.271 362 Q HN 0.885 nan 8.270 nan 0.000 0.450 363 T N 3.908 118.303 114.554 -0.264 0.000 2.886 363 T HA 0.420 4.736 4.350 -0.058 0.000 0.292 363 T C -1.376 173.194 174.700 -0.215 0.000 1.012 363 T CA -0.652 61.342 62.100 -0.176 0.000 0.982 363 T CB 1.263 70.066 68.868 -0.109 0.000 1.018 363 T HN 0.493 nan 8.240 nan 0.000 0.451 364 L N 4.642 125.757 121.223 -0.181 0.000 2.372 364 L HA 0.692 4.998 4.340 -0.058 0.000 0.273 364 L C -1.080 175.652 176.870 -0.231 0.000 0.989 364 L CA -0.723 54.000 54.840 -0.196 0.000 0.841 364 L CB 0.974 42.960 42.059 -0.123 0.000 1.225 364 L HN 0.859 nan 8.230 nan 0.000 0.414 365 R N 3.068 123.378 120.500 -0.316 0.000 2.513 365 R HA 0.793 5.098 4.340 -0.058 0.000 0.301 365 R C -1.000 174.928 176.300 -0.621 0.000 0.968 365 R CA -0.485 55.340 56.100 -0.458 0.000 0.872 365 R CB 1.930 32.075 30.300 -0.258 0.000 1.177 365 R HN 0.488 nan 8.270 nan 0.000 0.444 366 S N 1.157 116.185 115.700 -1.119 0.000 2.794 366 S HA 0.973 5.408 4.470 -0.058 0.000 0.299 366 S C -1.132 172.393 174.600 -1.792 0.000 1.179 366 S CA -0.290 57.203 58.200 -1.180 0.000 0.838 366 S CB 1.827 64.449 63.200 -0.963 0.000 1.206 366 S HN 1.184 nan 8.310 nan 0.000 0.523 367 G N 0.379 108.299 108.800 -1.466 0.000 2.361 367 G HA2 0.427 4.352 3.960 -0.058 0.000 0.299 367 G HA3 0.427 4.352 3.960 -0.058 0.000 0.299 367 G C -2.494 172.101 174.900 -0.509 0.000 1.544 367 G CA -0.721 43.626 45.100 -1.255 0.000 0.860 367 G HN 0.486 nan 8.290 nan 0.000 0.610 368 Y N -0.550 119.742 120.300 -0.013 0.000 2.310 368 Y HA 0.790 5.309 4.550 -0.053 0.000 0.326 368 Y C 0.319 176.310 175.900 0.152 0.000 1.151 368 Y CA -0.953 57.236 58.100 0.147 0.000 1.195 368 Y CB 1.904 40.529 38.460 0.274 0.000 1.210 368 Y HN 0.542 nan 8.280 nan 0.000 0.483 369 L N 2.475 123.887 121.223 0.315 0.000 2.543 369 L HA 0.351 4.656 4.340 -0.058 0.000 0.265 369 L C -0.817 176.169 176.870 0.193 0.000 0.945 369 L CA -0.772 54.209 54.840 0.234 0.000 0.869 369 L CB 2.053 44.213 42.059 0.168 0.000 1.294 369 L HN 0.700 nan 8.230 nan 0.000 0.405 370 E N 3.892 124.212 120.200 0.200 0.000 2.257 370 E HA 0.305 4.620 4.350 -0.058 0.000 0.278 370 E C -1.178 175.486 176.600 0.106 0.000 1.049 370 E CA -0.090 56.401 56.400 0.153 0.000 0.876 370 E CB 0.646 30.487 29.700 0.235 0.000 1.035 370 E HN 0.597 nan 8.360 nan 0.000 0.419 371 Q N 3.714 123.556 119.800 0.070 0.000 2.397 371 Q HA 0.331 4.636 4.340 -0.058 0.000 0.260 371 Q C 0.229 176.243 176.000 0.025 0.000 1.002 371 Q CA -0.237 55.594 55.803 0.047 0.000 0.716 371 Q CB 1.888 30.652 28.738 0.042 0.000 1.258 371 Q HN 0.954 nan 8.270 nan 0.000 0.477 372 G N 2.918 111.732 108.800 0.024 0.000 2.591 372 G HA2 -0.402 3.523 3.960 -0.058 0.000 0.298 372 G HA3 -0.402 3.523 3.960 -0.058 0.000 0.298 372 G C 0.310 175.219 174.900 0.014 0.000 1.195 372 G CA 0.367 45.474 45.100 0.012 0.000 0.989 372 G HN 0.601 nan 8.290 nan 0.000 0.551 373 K N 1.057 121.459 120.400 0.003 0.000 2.476 373 K HA 0.302 4.588 4.320 -0.058 0.000 0.196 373 K C 1.074 177.676 176.600 0.002 0.000 1.025 373 K CA 0.290 56.580 56.287 0.005 0.000 1.138 373 K CB 0.376 32.877 32.500 0.003 0.000 0.860 373 K HN 0.350 nan 8.250 nan 0.000 0.515 374 R N 0.209 120.711 120.500 0.003 0.000 2.867 374 R HA 0.528 4.833 4.340 -0.058 0.000 0.268 374 R C -0.879 175.424 176.300 0.005 0.000 1.014 374 R CA -0.690 55.420 56.100 0.018 0.000 0.946 374 R CB 1.822 32.148 30.300 0.043 0.000 1.208 374 R HN -0.050 nan 8.270 nan 0.000 0.477 375 I N 1.241 121.812 120.570 0.002 0.000 2.406 375 I HA 0.340 4.476 4.170 -0.058 0.000 0.290 375 I C -0.010 176.182 176.117 0.125 0.000 0.999 375 I CA -0.577 60.716 61.300 -0.012 0.000 1.124 375 I CB 2.130 40.004 38.000 -0.210 0.000 1.289 375 I HN 0.689 nan 8.210 nan 0.000 0.441 376 T N 3.757 118.418 114.554 0.178 0.000 2.950 376 T HA 0.749 5.065 4.350 -0.058 0.000 0.288 376 T C -0.826 174.048 174.700 0.289 0.000 1.035 376 T CA -0.805 61.438 62.100 0.238 0.000 1.028 376 T CB 2.273 71.251 68.868 0.184 0.000 1.109 376 T HN 0.314 nan 8.240 nan 0.000 0.514 377 L N 1.065 122.458 121.223 0.283 0.000 2.406 377 L HA 0.692 4.998 4.340 -0.058 0.000 0.272 377 L C -0.814 176.141 176.870 0.141 0.000 0.980 377 L CA -0.324 54.642 54.840 0.209 0.000 0.831 377 L CB 2.237 44.463 42.059 0.278 0.000 1.253 377 L HN 0.821 nan 8.230 nan 0.000 0.406 378 S N 6.086 121.763 115.700 -0.038 0.000 2.252 378 S HA 0.475 4.911 4.470 -0.058 0.000 0.187 378 S C -2.622 171.874 174.600 -0.174 0.000 1.587 378 S CA -0.908 57.255 58.200 -0.061 0.000 1.215 378 S CB 0.549 63.721 63.200 -0.046 0.000 1.085 378 S HN 0.493 nan 8.310 nan 0.000 0.466 379 P HA 0.352 nan 4.420 nan 0.000 0.276 379 P C -0.531 176.615 177.300 -0.257 0.000 1.230 379 P CA -0.313 62.664 63.100 -0.204 0.000 0.776 379 P CB 0.551 32.191 31.700 -0.101 0.000 0.888 380 R N 2.536 122.859 120.500 -0.295 0.000 2.515 380 R HA 0.411 4.717 4.340 -0.058 0.000 0.291 380 R C -0.713 175.298 176.300 -0.482 0.000 1.046 380 R CA -0.650 55.225 56.100 -0.374 0.000 0.914 380 R CB 1.884 32.067 30.300 -0.196 0.000 1.191 380 R HN 0.442 nan 8.270 nan 0.000 0.435 381 N N 2.433 120.721 118.700 -0.686 0.000 2.361 381 N HA 0.426 5.131 4.740 -0.058 0.000 0.302 381 N C -1.306 173.476 175.510 -1.214 0.000 1.074 381 N CA -0.305 52.286 53.050 -0.765 0.000 0.850 381 N CB 1.943 40.091 38.487 -0.565 0.000 1.228 381 N HN 0.365 nan 8.380 nan 0.000 0.491 382 Y N -0.134 119.633 120.300 -0.888 0.000 2.492 382 Y HA 0.479 4.994 4.550 -0.059 0.000 0.346 382 Y C -0.563 174.867 175.900 -0.784 0.000 0.997 382 Y CA -0.896 56.843 58.100 -0.601 0.000 1.025 382 Y CB 2.134 40.485 38.460 -0.182 0.000 1.263 382 Y HN 0.311 nan 8.280 nan 0.000 0.454 383 W N 2.869 124.305 121.300 0.226 0.000 2.619 383 W HA 0.683 5.309 4.660 -0.056 0.000 0.327 383 W C -1.657 174.975 176.519 0.189 0.000 1.027 383 W CA -0.960 56.489 57.345 0.174 0.000 1.233 383 W CB 2.069 31.666 29.460 0.229 0.000 1.370 383 W HN 0.191 nan 8.180 nan 0.000 0.453 384 V N 4.164 124.247 119.914 0.281 0.000 2.531 384 V HA 0.567 4.653 4.120 -0.058 0.000 0.301 384 V C -0.221 176.006 176.094 0.220 0.000 1.034 384 V CA -1.025 61.435 62.300 0.266 0.000 0.865 384 V CB 2.093 34.100 31.823 0.307 0.000 0.995 384 V HN 0.575 nan 8.190 nan 0.000 0.424 385 R N 2.669 123.200 120.500 0.051 0.000 2.628 385 R HA 0.916 5.221 4.340 -0.058 0.000 0.288 385 R C -0.414 175.543 176.300 -0.572 0.000 0.980 385 R CA -0.654 55.346 56.100 -0.167 0.000 0.891 385 R CB 2.450 32.794 30.300 0.074 0.000 1.188 385 R HN 0.854 nan 8.270 nan 0.000 0.450 386 G N 2.142 110.291 108.800 -1.085 0.000 2.690 386 G HA2 0.626 4.551 3.960 -0.058 0.000 0.293 386 G HA3 0.626 4.551 3.960 -0.058 0.000 0.293 386 G C -1.812 172.868 174.900 -0.366 0.000 1.399 386 G CA -0.652 43.963 45.100 -0.808 0.000 0.890 386 G HN 0.444 nan 8.290 nan 0.000 0.485 387 I N 0.506 121.031 120.570 -0.075 0.000 2.571 387 I HA 0.541 4.676 4.170 -0.058 0.000 0.289 387 I C -1.409 174.743 176.117 0.059 0.000 1.115 387 I CA -0.837 60.497 61.300 0.058 0.000 1.045 387 I CB 1.939 40.017 38.000 0.129 0.000 1.238 387 I HN 0.706 nan 8.210 nan 0.000 0.424 388 E N 9.674 129.926 120.200 0.087 0.000 2.316 388 E HA 0.527 4.842 4.350 -0.058 0.000 0.254 388 E C -2.836 173.794 176.600 0.051 0.000 0.902 388 E CA -1.757 54.668 56.400 0.041 0.000 0.801 388 E CB 2.352 32.077 29.700 0.041 0.000 1.270 388 E HN 0.238 nan 8.360 nan 0.000 0.414 389 P HA 0.371 nan 4.420 nan 0.000 0.294 389 P C -1.185 176.137 177.300 0.036 0.000 1.294 389 P CA -0.643 62.505 63.100 0.080 0.000 0.827 389 P CB 1.356 33.226 31.700 0.282 0.000 0.992 390 R N 1.979 122.442 120.500 -0.062 0.000 2.744 390 R HA 0.621 4.926 4.340 -0.058 0.000 0.279 390 R C -1.337 175.062 176.300 0.165 0.000 0.977 390 R CA -0.775 55.340 56.100 0.025 0.000 0.906 390 R CB 2.047 32.352 30.300 0.007 0.000 1.197 390 R HN 0.440 nan 8.270 nan 0.000 0.463 391 Y N 0.079 120.446 120.300 0.112 0.000 2.457 391 Y HA 0.500 5.015 4.550 -0.058 0.000 0.343 391 Y C -1.316 174.682 175.900 0.163 0.000 0.994 391 Y CA -0.511 57.715 58.100 0.210 0.000 1.031 391 Y CB 2.536 41.179 38.460 0.305 0.000 1.246 391 Y HN 0.606 nan 8.280 nan 0.000 0.449 392 S N 4.796 120.180 115.700 -0.527 0.000 2.538 392 S HA 0.579 5.014 4.470 -0.058 0.000 0.288 392 S C -1.636 172.626 174.600 -0.564 0.000 1.108 392 S CA -0.818 57.167 58.200 -0.359 0.000 0.971 392 S CB 1.934 65.038 63.200 -0.160 0.000 1.041 392 S HN 0.632 nan 8.310 nan 0.000 0.483 393 Q N 2.681 122.305 119.800 -0.293 0.000 2.295 393 Q HA 0.631 4.936 4.340 -0.058 0.000 0.268 393 Q C -1.623 174.284 176.000 -0.154 0.000 1.010 393 Q CA -0.763 54.898 55.803 -0.238 0.000 0.856 393 Q CB 1.144 29.857 28.738 -0.041 0.000 1.349 393 Q HN 0.826 nan 8.270 nan 0.000 0.412 394 I N 0.512 120.960 120.570 -0.202 0.000 2.607 394 I HA 0.896 5.031 4.170 -0.058 0.000 0.305 394 I C -1.015 175.047 176.117 -0.092 0.000 0.995 394 I CA -1.077 60.078 61.300 -0.242 0.000 1.148 394 I CB 1.347 39.248 38.000 -0.164 0.000 1.323 394 I HN 0.640 nan 8.210 nan 0.000 0.461 395 F N 2.130 122.079 119.950 -0.001 0.000 2.708 395 F HA 0.585 5.078 4.527 -0.058 0.000 0.309 395 F C -1.411 174.398 175.800 0.014 0.000 1.120 395 F CA -1.389 56.610 58.000 -0.002 0.000 0.978 395 F CB 0.976 39.972 39.000 -0.007 0.000 1.283 395 F HN 0.292 nan 8.300 nan 0.000 0.439 396 M N 3.495 123.244 119.600 0.248 0.000 2.249 396 M HA 0.482 4.927 4.480 -0.058 0.000 0.351 396 M C -0.705 175.703 176.300 0.180 0.000 1.180 396 M CA -0.183 55.213 55.300 0.160 0.000 1.127 396 M CB 1.221 33.881 32.600 0.100 0.000 1.546 396 M HN 0.742 nan 8.290 nan 0.000 0.461 397 I N 2.611 123.245 120.570 0.106 0.000 2.641 397 I HA 0.373 4.508 4.170 -0.058 0.000 0.275 397 I C 0.652 176.792 176.117 0.039 0.000 1.129 397 I CA -0.275 61.046 61.300 0.035 0.000 1.094 397 I CB 0.965 38.901 38.000 -0.106 0.000 1.232 397 I HN 0.956 nan 8.210 nan 0.000 0.503 398 G N 7.043 115.867 108.800 0.041 0.000 2.509 398 G HA2 -0.218 3.707 3.960 -0.058 0.000 0.259 398 G HA3 -0.218 3.707 3.960 -0.058 0.000 0.259 398 G C -1.782 173.149 174.900 0.052 0.000 1.169 398 G CA 0.105 45.230 45.100 0.040 0.000 0.953 398 G HN 0.434 nan 8.290 nan 0.000 0.563 399 P HA 0.168 nan 4.420 nan 0.000 0.240 399 P C 0.859 178.202 177.300 0.071 0.000 1.190 399 P CA 1.475 64.608 63.100 0.055 0.000 0.781 399 P CB -0.024 31.705 31.700 0.049 0.000 0.931 400 S N -0.151 115.610 115.700 0.101 0.000 2.616 400 S HA 0.681 5.116 4.470 -0.058 0.000 0.277 400 S C -0.052 174.657 174.600 0.182 0.000 1.234 400 S CA -0.742 57.544 58.200 0.144 0.000 1.028 400 S CB 1.724 65.054 63.200 0.216 0.000 0.988 400 S HN 0.193 nan 8.310 nan 0.000 0.522 401 A N 2.216 125.123 122.820 0.146 0.000 2.318 401 A HA 0.609 4.895 4.320 -0.058 0.000 0.324 401 A C -0.522 177.105 177.584 0.071 0.000 1.170 401 A CA -0.743 51.348 52.037 0.091 0.000 0.810 401 A CB 0.511 19.517 19.000 0.010 0.000 1.198 401 A HN 0.983 nan 8.150 nan 0.000 0.484 402 H N 1.522 120.391 119.070 -0.334 0.000 2.539 402 H HA 0.292 4.814 4.556 -0.058 0.000 0.332 402 H C -1.039 173.909 175.328 -0.633 0.000 1.031 402 H CA -0.337 55.418 56.048 -0.488 0.000 1.206 402 H CB 1.870 31.239 29.762 -0.655 0.000 1.446 402 H HN 0.815 nan 8.280 nan 0.000 0.496 403 E N 4.438 124.482 120.200 -0.260 0.000 2.121 403 E HA 0.229 4.544 4.350 -0.058 0.000 0.255 403 E C -0.928 175.612 176.600 -0.100 0.000 0.906 403 E CA -0.620 55.662 56.400 -0.197 0.000 0.745 403 E CB 0.780 30.419 29.700 -0.103 0.000 1.155 403 E HN 0.293 nan 8.360 nan 0.000 0.424 404 V N 3.191 123.062 119.914 -0.072 0.000 2.583 404 V HA 0.499 4.584 4.120 -0.058 0.000 0.287 404 V C 0.739 176.900 176.094 0.111 0.000 1.051 404 V CA -0.136 62.213 62.300 0.082 0.000 1.010 404 V CB 1.470 33.422 31.823 0.215 0.000 0.988 404 V HN 0.696 nan 8.190 nan 0.000 0.478 405 G N 2.824 111.726 108.800 0.169 0.000 2.566 405 G HA2 0.622 4.547 3.960 -0.058 0.000 0.311 405 G HA3 0.622 4.547 3.960 -0.058 0.000 0.311 405 G C -1.596 173.454 174.900 0.249 0.000 1.322 405 G CA -0.510 44.720 45.100 0.217 0.000 0.969 405 G HN 0.671 nan 8.290 nan 0.000 0.490 406 V N 1.154 121.164 119.914 0.160 0.000 2.841 406 V HA 0.975 5.061 4.120 -0.058 0.000 0.310 406 V C 0.038 175.945 176.094 -0.312 0.000 1.090 406 V CA 0.235 62.535 62.300 -0.000 0.000 0.930 406 V CB 2.056 34.004 31.823 0.208 0.000 1.014 406 V HN 1.320 nan 8.190 nan 0.000 0.425 407 G N 3.789 112.065 108.800 -0.874 0.000 2.690 407 G HA2 0.659 4.585 3.960 -0.058 0.000 0.293 407 G HA3 0.659 4.585 3.960 -0.058 0.000 0.293 407 G C -2.419 172.216 174.900 -0.442 0.000 1.399 407 G CA -0.601 44.020 45.100 -0.797 0.000 0.890 407 G HN 1.090 nan 8.290 nan 0.000 0.485 408 Y N 0.632 120.655 120.300 -0.463 0.000 2.470 408 Y HA 0.775 5.291 4.550 -0.057 0.000 0.341 408 Y C -0.669 175.060 175.900 -0.284 0.000 1.021 408 Y CA -1.192 56.510 58.100 -0.662 0.000 1.025 408 Y CB 2.042 39.830 38.460 -1.120 0.000 1.266 408 Y HN 0.693 nan 8.280 nan 0.000 0.448 409 R N 5.092 124.976 120.500 -1.028 0.000 2.621 409 R HA 0.423 4.729 4.340 -0.058 0.000 0.284 409 R C -2.425 173.377 176.300 -0.831 0.000 0.998 409 R CA -0.818 54.863 56.100 -0.697 0.000 0.895 409 R CB 1.518 31.691 30.300 -0.213 0.000 1.195 409 R HN 0.744 nan 8.270 nan 0.000 0.450 410 Y N 5.396 125.309 120.300 -0.645 0.000 2.328 410 Y HA 0.535 5.051 4.550 -0.057 0.000 0.336 410 Y C -1.779 173.961 175.900 -0.266 0.000 0.960 410 Y CA -0.888 56.947 58.100 -0.441 0.000 1.134 410 Y CB 1.124 39.474 38.460 -0.183 0.000 1.166 410 Y HN 0.590 nan 8.280 nan 0.000 0.464 411 L N 7.506 128.201 121.223 -0.881 0.000 2.410 411 L HA 0.563 4.869 4.340 -0.058 0.000 0.270 411 L C -1.704 174.705 176.870 -0.769 0.000 0.983 411 L CA -0.538 53.915 54.840 -0.644 0.000 0.822 411 L CB 1.554 43.509 42.059 -0.173 0.000 1.285 411 L HN 0.788 nan 8.230 nan 0.000 0.409 412 N N 3.982 122.364 118.700 -0.529 0.000 2.352 412 N HA 0.353 5.058 4.740 -0.058 0.000 0.291 412 N C -1.794 173.709 175.510 -0.012 0.000 1.040 412 N CA -0.343 52.541 53.050 -0.277 0.000 0.864 412 N CB 2.209 40.572 38.487 -0.206 0.000 1.440 412 N HN 0.803 nan 8.380 nan 0.000 0.483 413 E N 1.386 121.637 120.200 0.086 0.000 2.288 413 E HA 0.642 4.957 4.350 -0.058 0.000 0.268 413 E C -1.305 175.454 176.600 0.264 0.000 0.885 413 E CA -0.843 55.695 56.400 0.229 0.000 0.767 413 E CB 1.655 31.519 29.700 0.273 0.000 1.220 413 E HN 0.271 nan 8.360 nan 0.000 0.427 414 S N 0.821 116.744 115.700 0.372 0.000 2.536 414 S HA 0.672 5.107 4.470 -0.058 0.000 0.287 414 S C -0.825 174.027 174.600 0.419 0.000 1.101 414 S CA -0.678 57.744 58.200 0.370 0.000 0.950 414 S CB 1.894 65.345 63.200 0.418 0.000 1.056 414 S HN 0.742 nan 8.310 nan 0.000 0.481 415 T N -0.897 113.777 114.554 0.201 0.000 2.865 415 T HA 0.661 4.977 4.350 -0.058 0.000 0.294 415 T C -1.408 173.330 174.700 0.063 0.000 1.119 415 T CA -0.662 61.420 62.100 -0.031 0.000 1.007 415 T CB 1.830 70.609 68.868 -0.148 0.000 1.225 415 T HN 0.762 nan 8.240 nan 0.000 0.515 416 H N 0.549 119.467 119.070 -0.252 0.000 3.179 416 H HA 0.441 4.963 4.556 -0.056 0.000 0.331 416 H C -1.695 173.488 175.328 -0.242 0.000 1.013 416 H CA -0.584 55.384 56.048 -0.133 0.000 1.430 416 H CB 1.406 31.183 29.762 0.025 0.000 1.895 416 H HN 0.686 nan 8.280 nan 0.000 0.468 417 E N 5.183 125.275 120.200 -0.180 0.000 2.210 417 E HA 0.433 4.748 4.350 -0.058 0.000 0.266 417 E C -0.820 175.608 176.600 -0.286 0.000 0.883 417 E CA -0.509 55.741 56.400 -0.251 0.000 0.761 417 E CB 2.726 32.364 29.700 -0.103 0.000 1.156 417 E HN 0.431 nan 8.360 nan 0.000 0.412 418 M N 1.790 121.200 119.600 -0.316 0.000 2.550 418 M HA 0.530 4.975 4.480 -0.058 0.000 0.292 418 M C -0.851 175.328 176.300 -0.202 0.000 1.221 418 M CA -0.746 54.354 55.300 -0.333 0.000 0.873 418 M CB 2.954 35.274 32.600 -0.467 0.000 1.727 418 M HN 0.268 nan 8.290 nan 0.000 0.459 419 R N 1.751 122.123 120.500 -0.215 0.000 2.500 419 R HA 0.510 4.815 4.340 -0.058 0.000 0.299 419 R C -2.093 174.207 176.300 0.001 0.000 1.038 419 R CA -0.318 55.764 56.100 -0.029 0.000 0.903 419 R CB 1.335 31.658 30.300 0.038 0.000 1.177 419 R HN 0.607 nan 8.270 nan 0.000 0.455 420 Y N 3.214 123.619 120.300 0.176 0.000 2.432 420 Y HA 0.444 4.960 4.550 -0.058 0.000 0.322 420 Y C -0.086 175.958 175.900 0.239 0.000 1.246 420 Y CA -0.242 57.974 58.100 0.193 0.000 1.268 420 Y CB 1.185 39.714 38.460 0.115 0.000 1.276 420 Y HN 0.488 nan 8.280 nan 0.000 0.499 421 Y N -2.010 118.433 120.300 0.237 0.000 2.656 421 Y HA 0.793 5.307 4.550 -0.060 0.000 0.334 421 Y C -1.114 174.842 175.900 0.093 0.000 1.179 421 Y CA -1.362 56.819 58.100 0.134 0.000 1.050 421 Y CB 1.314 39.822 38.460 0.081 0.000 1.308 421 Y HN 0.608 nan 8.280 nan 0.000 0.456 422 T N -0.636 114.024 114.554 0.177 0.000 2.864 422 T HA 0.853 5.168 4.350 -0.058 0.000 0.299 422 T C -0.741 174.034 174.700 0.125 0.000 1.166 422 T CA -0.569 61.572 62.100 0.068 0.000 1.007 422 T CB 1.344 70.204 68.868 -0.013 0.000 1.219 422 T HN 1.397 nan 8.240 nan 0.000 0.506 423 A N 1.035 123.900 122.820 0.076 0.000 2.409 423 A HA 0.537 4.823 4.320 -0.058 0.000 0.262 423 A C 1.400 178.971 177.584 -0.022 0.000 1.113 423 A CA -0.284 51.782 52.037 0.048 0.000 0.790 423 A CB -0.331 18.695 19.000 0.042 0.000 1.046 423 A HN 0.926 nan 8.150 nan 0.000 0.496 424 T N 1.743 116.269 114.554 -0.045 0.000 2.788 424 T HA -0.178 4.138 4.350 -0.058 0.000 0.268 424 T C 2.255 176.921 174.700 -0.056 0.000 1.044 424 T CA 2.052 64.085 62.100 -0.112 0.000 1.139 424 T CB -0.343 68.473 68.868 -0.086 0.000 0.867 424 T HN 1.052 nan 8.240 nan 0.000 0.454 425 S N 2.101 117.792 115.700 -0.016 0.000 2.420 425 S HA -0.107 4.329 4.470 -0.058 0.000 0.237 425 S C 1.348 175.947 174.600 -0.003 0.000 1.023 425 S CA 0.763 58.964 58.200 0.001 0.000 0.991 425 S CB -0.763 62.442 63.200 0.008 0.000 0.792 425 S HN 0.645 nan 8.310 nan 0.000 0.488 426 S N 0.430 116.121 115.700 -0.015 0.000 2.634 426 S HA 0.614 5.050 4.470 -0.058 0.000 0.261 426 S C 0.760 175.347 174.600 -0.022 0.000 1.271 426 S CA -0.297 57.894 58.200 -0.015 0.000 0.985 426 S CB 0.981 64.170 63.200 -0.019 0.000 0.968 426 S HN 0.476 nan 8.310 nan 0.000 0.568 427 G N 0.355 109.146 108.800 -0.015 0.000 4.098 427 G HA2 0.443 4.369 3.960 -0.058 0.000 0.300 427 G HA3 0.443 4.369 3.960 -0.058 0.000 0.300 427 G C -0.258 174.630 174.900 -0.020 0.000 1.187 427 G CA -0.629 44.467 45.100 -0.006 0.000 0.964 427 G HN 0.809 nan 8.290 nan 0.000 0.559 428 Q N -0.149 119.622 119.800 -0.048 0.000 2.359 428 Q HA 0.660 4.965 4.340 -0.058 0.000 0.274 428 Q C -1.027 174.912 176.000 -0.102 0.000 1.074 428 Q CA -1.017 54.751 55.803 -0.058 0.000 0.810 428 Q CB 1.949 30.662 28.738 -0.041 0.000 1.342 428 Q HN 0.018 nan 8.270 nan 0.000 0.427 429 L N 2.275 123.421 121.223 -0.129 0.000 2.436 429 L HA 0.443 4.748 4.340 -0.058 0.000 0.265 429 L C -2.001 174.823 176.870 -0.076 0.000 1.168 429 L CA -1.999 52.717 54.840 -0.208 0.000 0.815 429 L CB 0.481 42.286 42.059 -0.422 0.000 1.109 429 L HN 0.517 nan 8.230 nan 0.000 0.462 430 P HA 0.122 nan 4.420 nan 0.000 0.271 430 P C -0.910 176.470 177.300 0.133 0.000 1.218 430 P CA -0.183 62.978 63.100 0.101 0.000 0.780 430 P CB 1.114 32.935 31.700 0.202 0.000 0.901 431 S N -0.164 115.541 115.700 0.008 0.000 2.819 431 S HA 0.566 5.001 4.470 -0.058 0.000 0.299 431 S C 1.338 175.732 174.600 -0.345 0.000 1.192 431 S CA -0.164 57.980 58.200 -0.093 0.000 0.847 431 S CB 0.778 63.953 63.200 -0.042 0.000 1.224 431 S HN 0.396 nan 8.310 nan 0.000 0.537 432 G N 0.834 109.420 108.800 -0.356 0.000 2.470 432 G HA2 -0.080 3.846 3.960 -0.058 0.000 0.220 432 G HA3 -0.080 3.846 3.960 -0.058 0.000 0.220 432 G C 1.256 176.075 174.900 -0.135 0.000 1.121 432 G CA 1.107 45.950 45.100 -0.427 0.000 0.766 432 G HN 1.233 nan 8.290 nan 0.000 0.553 433 S N -0.471 115.192 115.700 -0.063 0.000 2.575 433 S HA 0.301 4.737 4.470 -0.058 0.000 0.215 433 S C 0.992 175.615 174.600 0.039 0.000 0.966 433 S CA -0.095 58.115 58.200 0.017 0.000 0.911 433 S CB 0.271 63.470 63.200 -0.001 0.000 0.780 433 S HN 0.102 nan 8.310 nan 0.000 0.514 434 S N 4.062 119.790 115.700 0.047 0.000 2.617 434 S HA 0.459 4.895 4.470 -0.058 0.000 0.269 434 S C -2.349 172.313 174.600 0.103 0.000 1.292 434 S CA -1.043 57.173 58.200 0.027 0.000 1.010 434 S CB 0.574 63.779 63.200 0.008 0.000 0.944 434 S HN 0.392 nan 8.310 nan 0.000 0.536 435 P HA 0.226 nan 4.420 nan 0.000 0.274 435 P C -1.438 175.727 177.300 -0.224 0.000 1.237 435 P CA -0.258 62.685 63.100 -0.262 0.000 0.793 435 P CB 0.210 31.684 31.700 -0.377 0.000 0.977 436 Y N -1.193 119.047 120.300 -0.100 0.000 2.499 436 Y HA 0.552 5.066 4.550 -0.059 0.000 0.347 436 Y C 0.232 176.187 175.900 0.092 0.000 0.987 436 Y CA -1.228 56.806 58.100 -0.111 0.000 1.044 436 Y CB 1.001 39.106 38.460 -0.591 0.000 1.245 436 Y HN 0.260 nan 8.280 nan 0.000 0.461 437 D N 0.859 121.456 120.400 0.329 0.000 2.479 437 D HA 0.193 4.798 4.640 -0.058 0.000 0.218 437 D C -0.148 176.232 176.300 0.133 0.000 1.177 437 D CA -0.188 53.924 54.000 0.188 0.000 0.830 437 D CB 0.485 41.322 40.800 0.062 0.000 1.014 437 D HN 0.642 nan 8.370 nan 0.000 0.503 438 R N 0.157 120.746 120.500 0.148 0.000 2.566 438 R HA 0.397 4.702 4.340 -0.058 0.000 0.271 438 R C -2.264 174.026 176.300 -0.016 0.000 1.071 438 R CA -0.406 55.731 56.100 0.062 0.000 0.915 438 R CB 1.460 31.771 30.300 0.017 0.000 1.228 438 R HN -0.117 nan 8.270 nan 0.000 0.449 439 D N 2.802 123.206 120.400 0.006 0.000 2.445 439 D HA 0.144 4.749 4.640 -0.058 0.000 0.236 439 D C -1.362 174.974 176.300 0.059 0.000 1.315 439 D CA 0.036 54.018 54.000 -0.030 0.000 0.924 439 D CB 1.272 42.041 40.800 -0.051 0.000 1.447 439 D HN 0.595 nan 8.370 nan 0.000 0.532 440 T N -0.042 114.551 114.554 0.065 0.000 2.942 440 T HA 0.828 5.143 4.350 -0.058 0.000 0.289 440 T C 0.006 174.775 174.700 0.115 0.000 1.044 440 T CA -0.902 61.243 62.100 0.075 0.000 1.023 440 T CB 2.111 71.000 68.868 0.035 0.000 1.123 440 T HN 0.217 nan 8.240 nan 0.000 0.512 441 R N 0.799 121.344 120.500 0.075 0.000 2.533 441 R HA 0.657 4.962 4.340 -0.058 0.000 0.288 441 R C -1.138 175.152 176.300 -0.018 0.000 1.039 441 R CA -0.652 55.486 56.100 0.063 0.000 0.909 441 R CB 2.492 32.840 30.300 0.080 0.000 1.195 441 R HN 0.752 nan 8.270 nan 0.000 0.438 442 S N 0.052 115.573 115.700 -0.299 0.000 2.671 442 S HA 0.934 5.369 4.470 -0.058 0.000 0.299 442 S C -0.511 173.462 174.600 -1.045 0.000 1.116 442 S CA -0.860 56.799 58.200 -0.902 0.000 0.912 442 S CB 2.368 64.672 63.200 -1.495 0.000 1.130 442 S HN 0.767 nan 8.310 nan 0.000 0.501 443 G N -0.067 107.804 108.800 -1.549 0.000 2.601 443 G HA2 0.594 4.519 3.960 -0.058 0.000 0.291 443 G HA3 0.594 4.519 3.960 -0.058 0.000 0.291 443 G C -1.727 173.030 174.900 -0.239 0.000 1.456 443 G CA -0.464 44.230 45.100 -0.677 0.000 0.804 443 G HN 0.645 nan 8.290 nan 0.000 0.499 444 T N -0.072 114.530 114.554 0.081 0.000 2.923 444 T HA 0.600 4.915 4.350 -0.058 0.000 0.311 444 T C -1.271 173.408 174.700 -0.035 0.000 1.183 444 T CA -0.570 61.570 62.100 0.067 0.000 1.020 444 T CB 2.402 71.303 68.868 0.055 0.000 1.165 444 T HN 0.612 nan 8.240 nan 0.000 0.482 445 E N 1.083 121.234 120.200 -0.083 0.000 2.216 445 E HA 0.672 4.988 4.350 -0.058 0.000 0.260 445 E C -1.292 175.132 176.600 -0.293 0.000 0.880 445 E CA -0.676 55.639 56.400 -0.140 0.000 0.765 445 E CB 1.032 30.787 29.700 0.092 0.000 1.174 445 E HN 0.785 nan 8.360 nan 0.000 0.417 446 A N 4.610 127.107 122.820 -0.538 0.000 2.365 446 A HA 0.564 4.850 4.320 -0.058 0.000 0.318 446 A C -1.332 175.985 177.584 -0.445 0.000 1.091 446 A CA -0.672 51.041 52.037 -0.540 0.000 0.763 446 A CB 1.026 19.407 19.000 -1.031 0.000 1.248 446 A HN 0.708 nan 8.150 nan 0.000 0.442 447 H N 1.178 120.275 119.070 0.045 0.000 2.708 447 H HA 0.590 5.111 4.556 -0.057 0.000 0.320 447 H C -0.382 175.045 175.328 0.164 0.000 0.991 447 H CA -0.034 56.118 56.048 0.175 0.000 1.243 447 H CB 1.770 31.784 29.762 0.418 0.000 1.446 447 H HN 0.840 nan 8.280 nan 0.000 0.502 448 A N 3.845 126.707 122.820 0.070 0.000 2.331 448 A HA 0.524 4.810 4.320 -0.058 0.000 0.320 448 A C -1.321 176.345 177.584 0.135 0.000 1.138 448 A CA -0.613 51.517 52.037 0.154 0.000 0.790 448 A CB 0.995 20.069 19.000 0.123 0.000 1.206 448 A HN 0.679 nan 8.150 nan 0.000 0.470 449 W N 1.298 122.804 121.300 0.344 0.000 2.819 449 W HA 0.616 5.242 4.660 -0.057 0.000 0.337 449 W C -0.838 175.867 176.519 0.309 0.000 1.077 449 W CA -0.140 57.398 57.345 0.322 0.000 1.226 449 W CB 2.045 31.702 29.460 0.328 0.000 1.419 449 W HN 0.744 nan 8.180 nan 0.000 0.502 450 Y N 2.066 122.658 120.300 0.487 0.000 2.544 450 Y HA 0.840 5.355 4.550 -0.058 0.000 0.342 450 Y C -2.163 173.909 175.900 0.287 0.000 1.062 450 Y CA -2.230 56.053 58.100 0.304 0.000 1.023 450 Y CB 1.163 39.720 38.460 0.161 0.000 1.308 450 Y HN 0.338 nan 8.280 nan 0.000 0.457 451 L N 4.511 126.013 121.223 0.464 0.000 2.476 451 L HA 0.722 5.027 4.340 -0.058 0.000 0.269 451 L C -2.098 174.952 176.870 0.300 0.000 0.965 451 L CA -0.290 54.747 54.840 0.330 0.000 0.845 451 L CB 1.770 43.952 42.059 0.205 0.000 1.259 451 L HN 0.970 nan 8.230 nan 0.000 0.403 452 D N 1.439 122.013 120.400 0.290 0.000 2.552 452 D HA 0.642 5.247 4.640 -0.058 0.000 0.239 452 D C -1.568 174.821 176.300 0.148 0.000 1.139 452 D CA -0.431 53.685 54.000 0.193 0.000 0.914 452 D CB 1.905 42.812 40.800 0.179 0.000 1.461 452 D HN 0.364 nan 8.370 nan 0.000 0.462 453 D N -0.421 120.029 120.400 0.083 0.000 2.479 453 D HA 0.171 4.776 4.640 -0.058 0.000 0.246 453 D C -1.367 174.903 176.300 -0.051 0.000 1.336 453 D CA -0.545 53.473 54.000 0.030 0.000 0.967 453 D CB 1.182 42.016 40.800 0.055 0.000 1.275 453 D HN 0.362 nan 8.370 nan 0.000 0.577 454 K N 5.040 125.402 120.400 -0.063 0.000 2.292 454 K HA 0.305 4.591 4.320 -0.058 0.000 0.290 454 K C -0.516 175.977 176.600 -0.178 0.000 1.083 454 K CA -0.330 55.904 56.287 -0.087 0.000 0.918 454 K CB 0.253 32.729 32.500 -0.041 0.000 1.089 454 K HN 0.507 nan 8.250 nan 0.000 0.473 455 I N 4.386 124.823 120.570 -0.223 0.000 2.306 455 I HA 0.111 4.246 4.170 -0.058 0.000 0.288 455 I C -0.335 175.710 176.117 -0.120 0.000 1.036 455 I CA -0.707 60.391 61.300 -0.336 0.000 1.221 455 I CB 1.208 38.893 38.000 -0.526 0.000 1.385 455 I HN 0.398 nan 8.210 nan 0.000 0.472 456 D N 7.659 128.019 120.400 -0.066 0.000 2.365 456 D HA 0.276 4.882 4.640 -0.058 0.000 0.237 456 D C -0.456 175.871 176.300 0.046 0.000 1.190 456 D CA 0.153 54.158 54.000 0.009 0.000 0.867 456 D CB 2.134 42.928 40.800 -0.009 0.000 1.050 456 D HN 0.241 nan 8.370 nan 0.000 0.491 457 I N 2.301 122.931 120.570 0.100 0.000 2.439 457 I HA 0.322 4.457 4.170 -0.058 0.000 0.283 457 I C 0.889 177.124 176.117 0.196 0.000 1.023 457 I CA 0.175 61.544 61.300 0.115 0.000 1.100 457 I CB 0.593 38.638 38.000 0.075 0.000 1.238 457 I HN 0.615 nan 8.210 nan 0.000 0.445 458 G N 8.455 117.336 108.800 0.134 0.000 2.591 458 G HA2 -0.355 3.570 3.960 -0.058 0.000 0.298 458 G HA3 -0.355 3.570 3.960 -0.058 0.000 0.298 458 G C 0.623 175.571 174.900 0.080 0.000 1.195 458 G CA 0.511 45.698 45.100 0.145 0.000 0.989 458 G HN 0.612 nan 8.290 nan 0.000 0.551 459 N N 0.833 119.595 118.700 0.104 0.000 2.336 459 N HA 0.153 4.858 4.740 -0.058 0.000 0.189 459 N C 0.023 175.458 175.510 -0.126 0.000 1.113 459 N CA 0.435 53.369 53.050 -0.193 0.000 0.858 459 N CB 0.057 38.270 38.487 -0.457 0.000 0.970 459 N HN 0.435 nan 8.380 nan 0.000 0.471 460 W N 0.438 121.787 121.300 0.081 0.000 2.436 460 W HA 0.427 5.053 4.660 -0.058 0.000 0.347 460 W C 0.144 176.718 176.519 0.091 0.000 1.136 460 W CA -0.314 57.130 57.345 0.166 0.000 1.286 460 W CB 0.909 30.471 29.460 0.171 0.000 1.253 460 W HN -0.337 nan 8.180 nan 0.000 0.617 461 T N 2.861 117.631 114.554 0.361 0.000 3.160 461 T HA 0.337 4.653 4.350 -0.058 0.000 0.344 461 T C -1.037 173.749 174.700 0.143 0.000 0.981 461 T CA -0.500 61.709 62.100 0.182 0.000 1.170 461 T CB -0.194 68.763 68.868 0.148 0.000 1.016 461 T HN -0.019 nan 8.240 nan 0.000 0.492 462 I N 2.536 123.170 120.570 0.107 0.000 2.353 462 I HA 0.456 4.591 4.170 -0.058 0.000 0.293 462 I C 0.477 176.585 176.117 -0.015 0.000 0.992 462 I CA -0.128 61.209 61.300 0.062 0.000 1.268 462 I CB 1.626 39.648 38.000 0.037 0.000 1.387 462 I HN 0.389 nan 8.210 nan 0.000 0.478 463 T N 7.327 121.869 114.554 -0.020 0.000 2.934 463 T HA 0.398 4.713 4.350 -0.058 0.000 0.328 463 T C -2.641 172.051 174.700 -0.014 0.000 1.068 463 T CA -1.143 60.937 62.100 -0.034 0.000 1.018 463 T CB 1.197 70.029 68.868 -0.059 0.000 1.009 463 T HN 0.324 nan 8.240 nan 0.000 0.471 464 P HA 0.645 nan 4.420 nan 0.000 0.284 464 P C -0.272 177.054 177.300 0.043 0.000 1.258 464 P CA -0.281 62.830 63.100 0.019 0.000 0.824 464 P CB 1.804 33.518 31.700 0.023 0.000 1.038 465 G N 0.654 109.486 108.800 0.053 0.000 2.677 465 G HA2 0.607 4.532 3.960 -0.058 0.000 0.291 465 G HA3 0.607 4.532 3.960 -0.058 0.000 0.291 465 G C -2.029 172.931 174.900 0.100 0.000 1.435 465 G CA -0.598 44.556 45.100 0.089 0.000 0.826 465 G HN 0.558 nan 8.290 nan 0.000 0.491 466 M N 0.828 120.519 119.600 0.151 0.000 2.322 466 M HA 0.662 5.108 4.480 -0.058 0.000 0.286 466 M C -1.020 175.426 176.300 0.243 0.000 1.111 466 M CA -0.645 54.755 55.300 0.166 0.000 0.941 466 M CB 2.170 34.858 32.600 0.147 0.000 1.671 466 M HN 0.631 nan 8.290 nan 0.000 0.470 467 R N 3.521 124.160 120.500 0.232 0.000 2.670 467 R HA 0.784 5.089 4.340 -0.058 0.000 0.289 467 R C -2.174 174.313 176.300 0.311 0.000 0.965 467 R CA -0.471 55.802 56.100 0.288 0.000 0.899 467 R CB 1.481 31.904 30.300 0.204 0.000 1.173 467 R HN 0.764 nan 8.270 nan 0.000 0.456 468 F N 2.360 122.434 119.950 0.206 0.000 2.574 468 F HA 0.414 4.906 4.527 -0.057 0.000 0.313 468 F C -1.200 174.719 175.800 0.198 0.000 1.130 468 F CA -0.427 57.670 58.000 0.161 0.000 0.936 468 F CB 1.996 41.104 39.000 0.179 0.000 1.219 468 F HN 0.484 nan 8.300 nan 0.000 0.445 469 E N 3.635 123.482 120.200 -0.587 0.000 2.248 469 E HA 0.188 4.504 4.350 -0.058 0.000 0.267 469 E C -1.793 174.514 176.600 -0.489 0.000 0.877 469 E CA -0.956 55.258 56.400 -0.309 0.000 0.759 469 E CB 2.415 31.983 29.700 -0.220 0.000 1.182 469 E HN 0.609 nan 8.360 nan 0.000 0.418 470 H N 2.400 121.372 119.070 -0.163 0.000 2.708 470 H HA 0.441 4.962 4.556 -0.057 0.000 0.320 470 H C -1.468 173.780 175.328 -0.134 0.000 0.991 470 H CA -0.467 55.519 56.048 -0.104 0.000 1.243 470 H CB 0.279 30.157 29.762 0.194 0.000 1.446 470 H HN 0.322 nan 8.280 nan 0.000 0.502 471 I N 4.205 124.269 120.570 -0.844 0.000 2.474 471 I HA 0.273 4.408 4.170 -0.058 0.000 0.294 471 I C -0.491 175.235 176.117 -0.653 0.000 1.005 471 I CA -0.359 60.503 61.300 -0.731 0.000 1.113 471 I CB 1.975 39.527 38.000 -0.748 0.000 1.289 471 I HN 0.608 nan 8.210 nan 0.000 0.436 472 E N 4.598 124.614 120.200 -0.306 0.000 2.220 472 E HA 0.574 4.889 4.350 -0.058 0.000 0.256 472 E C -1.258 175.379 176.600 0.062 0.000 0.881 472 E CA -0.554 55.805 56.400 -0.068 0.000 0.766 472 E CB 1.843 31.571 29.700 0.047 0.000 1.187 472 E HN 0.490 nan 8.360 nan 0.000 0.419 473 S N 1.784 117.570 115.700 0.143 0.000 2.566 473 S HA 0.681 5.116 4.470 -0.058 0.000 0.298 473 S C -1.219 173.509 174.600 0.214 0.000 1.083 473 S CA -0.771 57.547 58.200 0.197 0.000 0.978 473 S CB 0.852 64.198 63.200 0.243 0.000 1.073 473 S HN 0.522 nan 8.310 nan 0.000 0.491 474 Y N -0.181 120.194 120.300 0.124 0.000 2.597 474 Y HA 0.752 5.268 4.550 -0.057 0.000 0.340 474 Y C -1.075 174.771 175.900 -0.091 0.000 1.097 474 Y CA -1.067 57.013 58.100 -0.034 0.000 1.037 474 Y CB 1.258 39.665 38.460 -0.088 0.000 1.305 474 Y HN 0.600 nan 8.280 nan 0.000 0.463 475 Q N 2.743 122.559 119.800 0.026 0.000 2.274 475 Q HA 0.358 4.664 4.340 -0.058 0.000 0.268 475 Q C -2.017 174.045 176.000 0.103 0.000 1.015 475 Q CA -0.690 55.104 55.803 -0.015 0.000 0.775 475 Q CB 1.587 30.311 28.738 -0.022 0.000 1.256 475 Q HN 0.847 nan 8.270 nan 0.000 0.442 476 N N 3.898 122.721 118.700 0.204 0.000 2.446 476 N HA 0.193 4.899 4.740 -0.058 0.000 0.265 476 N C -1.513 174.080 175.510 0.138 0.000 0.975 476 N CA -0.259 52.937 53.050 0.243 0.000 0.928 476 N CB 1.115 39.801 38.487 0.332 0.000 1.160 476 N HN 0.638 nan 8.380 nan 0.000 0.495 477 N N 3.067 121.836 118.700 0.115 0.000 2.439 477 N HA 0.222 4.928 4.740 -0.058 0.000 0.249 477 N C 0.401 175.962 175.510 0.084 0.000 1.003 477 N CA -0.184 52.919 53.050 0.087 0.000 0.942 477 N CB 1.565 40.096 38.487 0.073 0.000 1.115 477 N HN 0.614 nan 8.380 nan 0.000 0.505 478 A N 4.913 127.781 122.820 0.081 0.000 2.067 478 A HA -0.007 4.279 4.320 -0.058 0.000 0.217 478 A C 1.896 179.534 177.584 0.089 0.000 1.156 478 A CA 0.621 52.704 52.037 0.077 0.000 0.683 478 A CB -0.111 18.933 19.000 0.075 0.000 0.808 478 A HN 0.692 nan 8.150 nan 0.000 0.455 479 I N 0.420 121.048 120.570 0.097 0.000 2.206 479 I HA -0.136 3.999 4.170 -0.058 0.000 0.239 479 I C 2.767 178.924 176.117 0.066 0.000 1.078 479 I CA 2.230 63.586 61.300 0.094 0.000 1.367 479 I CB -1.839 36.221 38.000 0.100 0.000 1.078 479 I HN 0.499 nan 8.210 nan 0.000 0.413 480 T N -1.449 113.142 114.554 0.061 0.000 3.023 480 T HA 0.126 4.441 4.350 -0.058 0.000 0.266 480 T C 1.664 176.395 174.700 0.052 0.000 1.093 480 T CA 0.973 63.104 62.100 0.051 0.000 1.129 480 T CB -0.094 68.804 68.868 0.049 0.000 0.899 480 T HN 0.544 nan 8.240 nan 0.000 0.491 481 G N 1.509 110.344 108.800 0.060 0.000 2.176 481 G HA2 -0.259 3.666 3.960 -0.058 0.000 0.253 481 G HA3 -0.259 3.666 3.960 -0.058 0.000 0.253 481 G C 0.324 175.268 174.900 0.073 0.000 0.979 481 G CA 0.508 45.642 45.100 0.057 0.000 0.641 481 G HN 1.185 nan 8.290 nan 0.000 0.530 482 T N -2.313 112.291 114.554 0.083 0.000 2.882 482 T HA 0.566 4.881 4.350 -0.058 0.000 0.287 482 T C -0.295 174.502 174.700 0.162 0.000 1.014 482 T CA 0.321 62.482 62.100 0.102 0.000 1.049 482 T CB 2.136 71.050 68.868 0.077 0.000 1.001 482 T HN 0.939 nan 8.240 nan 0.000 0.525 483 H N -0.302 118.798 119.070 0.050 0.000 3.018 483 H HA 0.559 5.081 4.556 -0.058 0.000 0.334 483 H C -1.260 174.114 175.328 0.076 0.000 0.983 483 H CA -0.457 55.628 56.048 0.062 0.000 1.363 483 H CB 1.443 31.224 29.762 0.031 0.000 1.668 483 H HN 0.806 nan 8.280 nan 0.000 0.513 484 E N 2.925 122.983 120.200 -0.236 0.000 2.256 484 E HA 0.407 4.722 4.350 -0.058 0.000 0.267 484 E C -0.911 175.600 176.600 -0.150 0.000 0.892 484 E CA -0.750 55.577 56.400 -0.123 0.000 0.775 484 E CB 1.785 31.471 29.700 -0.023 0.000 1.207 484 E HN 0.625 nan 8.360 nan 0.000 0.420 485 E N 0.886 121.066 120.200 -0.033 0.000 2.367 485 E HA 0.594 4.910 4.350 -0.058 0.000 0.273 485 E C -1.360 175.293 176.600 0.089 0.000 0.903 485 E CA -1.102 55.326 56.400 0.048 0.000 0.764 485 E CB 2.414 32.159 29.700 0.076 0.000 1.252 485 E HN 0.265 nan 8.360 nan 0.000 0.446 486 V N -1.702 118.292 119.914 0.133 0.000 2.888 486 V HA 0.774 4.859 4.120 -0.058 0.000 0.309 486 V C -0.817 175.409 176.094 0.221 0.000 1.114 486 V CA -0.655 61.745 62.300 0.166 0.000 0.940 486 V CB 1.870 33.778 31.823 0.142 0.000 1.021 486 V HN 0.549 nan 8.190 nan 0.000 0.426 487 S N 3.377 119.222 115.700 0.241 0.000 2.672 487 S HA 0.907 5.342 4.470 -0.058 0.000 0.291 487 S C -1.229 173.528 174.600 0.262 0.000 1.145 487 S CA -0.450 57.851 58.200 0.170 0.000 1.013 487 S CB 1.040 64.344 63.200 0.174 0.000 1.017 487 S HN 1.604 nan 8.310 nan 0.000 0.487 488 Y N 1.511 121.794 120.300 -0.029 0.000 2.670 488 Y HA 0.689 5.204 4.550 -0.058 0.000 0.334 488 Y C -1.071 174.810 175.900 -0.032 0.000 1.185 488 Y CA -1.334 56.779 58.100 0.022 0.000 1.053 488 Y CB 0.503 38.988 38.460 0.042 0.000 1.298 488 Y HN 0.540 nan 8.280 nan 0.000 0.459 489 N N 0.062 118.819 118.700 0.095 0.000 2.328 489 N HA 0.800 5.505 4.740 -0.058 0.000 0.299 489 N C -1.698 173.700 175.510 -0.185 0.000 1.179 489 N CA -1.077 51.885 53.050 -0.147 0.000 0.793 489 N CB 2.239 40.749 38.487 0.038 0.000 1.366 489 N HN 0.906 nan 8.380 nan 0.000 0.493 490 A N 1.808 124.302 122.820 -0.543 0.000 2.646 490 A HA 0.430 4.716 4.320 -0.058 0.000 0.312 490 A C -2.714 174.586 177.584 -0.472 0.000 1.245 490 A CA -1.307 50.420 52.037 -0.515 0.000 0.755 490 A CB 0.529 18.892 19.000 -1.061 0.000 1.132 490 A HN 0.427 nan 8.150 nan 0.000 0.458 491 P HA 0.394 nan 4.420 nan 0.000 0.292 491 P C -1.032 176.308 177.300 0.066 0.000 1.326 491 P CA -0.186 62.992 63.100 0.129 0.000 0.787 491 P CB 1.436 33.310 31.700 0.290 0.000 0.903 492 L N 6.169 127.439 121.223 0.078 0.000 2.384 492 L HA 0.391 4.696 4.340 -0.058 0.000 0.261 492 L C -2.227 174.689 176.870 0.078 0.000 1.024 492 L CA -2.030 52.850 54.840 0.066 0.000 0.899 492 L CB 1.260 43.358 42.059 0.066 0.000 1.243 492 L HN 0.199 nan 8.230 nan 0.000 0.449 493 P HA 0.505 nan 4.420 nan 0.000 0.285 493 P C -0.830 176.469 177.300 -0.001 0.000 1.259 493 P CA -0.205 62.922 63.100 0.044 0.000 0.794 493 P CB 2.644 34.369 31.700 0.042 0.000 0.940 494 A N 3.110 125.932 122.820 0.002 0.000 2.527 494 A HA 0.802 5.087 4.320 -0.058 0.000 0.293 494 A C -1.745 175.824 177.584 -0.025 0.000 1.117 494 A CA -0.706 51.310 52.037 -0.035 0.000 0.723 494 A CB 1.554 20.538 19.000 -0.026 0.000 1.313 494 A HN 0.514 nan 8.150 nan 0.000 0.411 495 L N 2.010 123.207 121.223 -0.045 0.000 2.580 495 L HA 0.456 4.761 4.340 -0.058 0.000 0.266 495 L C -1.369 175.491 176.870 -0.018 0.000 0.955 495 L CA -0.316 54.512 54.840 -0.019 0.000 0.886 495 L CB 1.641 43.700 42.059 0.000 0.000 1.263 495 L HN 0.853 nan 8.230 nan 0.000 0.406 496 N N 4.338 123.022 118.700 -0.027 0.000 2.284 496 N HA 0.678 5.384 4.740 -0.058 0.000 0.300 496 N C -1.528 173.986 175.510 0.007 0.000 1.047 496 N CA -0.613 52.416 53.050 -0.034 0.000 0.821 496 N CB 2.681 41.085 38.487 -0.139 0.000 1.337 496 N HN 0.314 nan 8.380 nan 0.000 0.482 497 V N 1.664 121.619 119.914 0.067 0.000 2.540 497 V HA 0.461 4.546 4.120 -0.058 0.000 0.302 497 V C -0.592 175.575 176.094 0.120 0.000 1.035 497 V CA -0.843 61.543 62.300 0.143 0.000 0.873 497 V CB 1.563 33.531 31.823 0.241 0.000 0.992 497 V HN 0.644 nan 8.190 nan 0.000 0.428 498 L N 5.120 126.406 121.223 0.104 0.000 2.356 498 L HA 0.641 4.946 4.340 -0.058 0.000 0.277 498 L C -1.497 175.362 176.870 -0.019 0.000 0.996 498 L CA -0.361 54.470 54.840 -0.015 0.000 0.822 498 L CB 1.607 43.589 42.059 -0.129 0.000 1.256 498 L HN 0.656 nan 8.230 nan 0.000 0.413 499 Y N 3.491 123.598 120.300 -0.322 0.000 2.326 499 Y HA 0.471 4.986 4.550 -0.058 0.000 0.329 499 Y C -0.854 174.802 175.900 -0.407 0.000 0.973 499 Y CA -0.675 57.120 58.100 -0.509 0.000 1.162 499 Y CB 0.805 38.752 38.460 -0.854 0.000 1.147 499 Y HN 0.695 nan 8.280 nan 0.000 0.456 500 H N 6.969 125.473 119.070 -0.943 0.000 3.067 500 H HA 0.176 4.698 4.556 -0.058 0.000 0.265 500 H C 1.059 175.942 175.328 -0.741 0.000 1.234 500 H CA 0.074 55.745 56.048 -0.629 0.000 1.452 500 H CB 0.527 30.049 29.762 -0.401 0.000 1.527 500 H HN 0.847 nan 8.280 nan 0.000 0.486 501 L N 1.456 122.426 121.223 -0.422 0.000 2.017 501 L HA -0.109 4.196 4.340 -0.058 0.000 0.208 501 L C 1.089 177.881 176.870 -0.130 0.000 1.073 501 L CA 1.713 56.362 54.840 -0.318 0.000 0.745 501 L CB 0.064 41.796 42.059 -0.546 0.000 0.894 501 L HN 0.728 nan 8.230 nan 0.000 0.432 502 T N -6.875 107.692 114.554 0.021 0.000 2.681 502 T HA 0.174 4.489 4.350 -0.058 0.000 0.296 502 T C 0.063 174.845 174.700 0.136 0.000 1.157 502 T CA -0.533 61.629 62.100 0.104 0.000 1.025 502 T CB 1.035 70.032 68.868 0.214 0.000 1.441 502 T HN -0.081 nan 8.240 nan 0.000 0.504 503 D N 1.005 121.469 120.400 0.107 0.000 2.351 503 D HA 0.059 4.664 4.640 -0.058 0.000 0.216 503 D C 1.167 177.530 176.300 0.105 0.000 0.968 503 D CA 1.483 55.537 54.000 0.090 0.000 0.899 503 D CB -0.062 40.761 40.800 0.037 0.000 0.907 503 D HN 0.620 nan 8.370 nan 0.000 0.514 504 S N -1.769 114.008 115.700 0.129 0.000 3.025 504 S HA 0.236 4.671 4.470 -0.058 0.000 0.251 504 S C -0.865 173.886 174.600 0.251 0.000 0.954 504 S CA -0.955 57.268 58.200 0.037 0.000 1.092 504 S CB -0.064 62.996 63.200 -0.234 0.000 1.079 504 S HN 0.215 nan 8.310 nan 0.000 0.543 505 W N 2.367 123.801 121.300 0.224 0.000 3.423 505 W HA 0.574 5.199 4.660 -0.058 0.000 0.330 505 W C -2.106 174.449 176.519 0.059 0.000 1.102 505 W CA -1.088 56.399 57.345 0.238 0.000 1.261 505 W CB 0.879 30.516 29.460 0.295 0.000 1.283 505 W HN 0.061 nan 8.180 nan 0.000 0.447 506 N N 3.471 122.331 118.700 0.268 0.000 2.432 506 N HA 0.706 5.411 4.740 -0.058 0.000 0.292 506 N C -1.604 173.856 175.510 -0.083 0.000 1.193 506 N CA -0.557 52.402 53.050 -0.151 0.000 0.878 506 N CB 2.059 40.262 38.487 -0.473 0.000 1.252 506 N HN 0.236 nan 8.380 nan 0.000 0.520 507 L N 1.183 122.302 121.223 -0.173 0.000 2.388 507 L HA 0.546 4.851 4.340 -0.058 0.000 0.264 507 L C -1.140 175.687 176.870 -0.072 0.000 0.998 507 L CA -0.781 53.973 54.840 -0.145 0.000 0.817 507 L CB 1.298 43.262 42.059 -0.159 0.000 1.338 507 L HN 0.573 nan 8.230 nan 0.000 0.414 508 Y N 0.946 121.201 120.300 -0.076 0.000 2.581 508 Y HA 0.952 5.467 4.550 -0.058 0.000 0.337 508 Y C -1.225 174.668 175.900 -0.012 0.000 1.108 508 Y CA -1.454 56.605 58.100 -0.069 0.000 1.033 508 Y CB 1.385 39.774 38.460 -0.118 0.000 1.318 508 Y HN 0.760 nan 8.280 nan 0.000 0.459 509 A N 2.813 125.793 122.820 0.266 0.000 2.572 509 A HA 0.864 5.149 4.320 -0.058 0.000 0.295 509 A C -1.584 176.131 177.584 0.219 0.000 1.072 509 A CA -0.287 51.883 52.037 0.222 0.000 0.691 509 A CB 1.801 20.884 19.000 0.138 0.000 1.291 509 A HN 1.506 nan 8.150 nan 0.000 0.404 510 N N -0.605 118.219 118.700 0.207 0.000 3.227 510 N HA 0.721 5.426 4.740 -0.058 0.000 0.241 510 N C -1.124 174.424 175.510 0.063 0.000 1.480 510 N CA 0.082 53.193 53.050 0.103 0.000 0.886 510 N CB 1.701 40.202 38.487 0.023 0.000 1.406 510 N HN 0.793 nan 8.380 nan 0.000 0.514 511 T N -1.140 113.353 114.554 -0.101 0.000 3.097 511 T HA 0.584 4.899 4.350 -0.058 0.000 0.332 511 T C -2.096 172.428 174.700 -0.294 0.000 1.269 511 T CA -0.428 61.444 62.100 -0.380 0.000 1.076 511 T CB 0.850 69.225 68.868 -0.822 0.000 1.209 511 T HN 0.633 nan 8.240 nan 0.000 0.474 512 E N 1.381 121.401 120.200 -0.299 0.000 2.429 512 E HA 0.616 4.931 4.350 -0.058 0.000 0.276 512 E C -0.615 175.895 176.600 -0.150 0.000 0.953 512 E CA -1.487 54.813 56.400 -0.167 0.000 0.787 512 E CB 1.854 31.500 29.700 -0.088 0.000 1.307 512 E HN 0.696 nan 8.360 nan 0.000 0.458 513 G N 0.472 109.235 108.800 -0.062 0.000 2.343 513 G HA2 0.505 4.431 3.960 -0.058 0.000 0.319 513 G HA3 0.505 4.431 3.960 -0.058 0.000 0.319 513 G C -0.637 174.294 174.900 0.052 0.000 1.126 513 G CA -0.242 44.853 45.100 -0.008 0.000 0.889 513 G HN 0.228 nan 8.290 nan 0.000 0.457 514 S N -0.128 115.613 115.700 0.067 0.000 2.634 514 S HA 0.857 5.293 4.470 -0.058 0.000 0.296 514 S C -1.123 173.616 174.600 0.233 0.000 1.104 514 S CA -0.497 57.762 58.200 0.099 0.000 0.920 514 S CB 1.453 64.604 63.200 -0.082 0.000 1.111 514 S HN 0.849 nan 8.310 nan 0.000 0.493 515 F N -1.147 118.775 119.950 -0.048 0.000 2.668 515 F HA 0.858 5.351 4.527 -0.057 0.000 0.309 515 F C -0.398 175.422 175.800 0.032 0.000 1.117 515 F CA -1.037 56.987 58.000 0.040 0.000 0.951 515 F CB 0.721 39.775 39.000 0.090 0.000 1.323 515 F HN 0.638 nan 8.300 nan 0.000 0.451 516 G N 0.709 109.565 108.800 0.094 0.000 2.452 516 G HA2 0.565 4.490 3.960 -0.058 0.000 0.324 516 G HA3 0.565 4.490 3.960 -0.058 0.000 0.324 516 G C -0.679 174.304 174.900 0.138 0.000 1.214 516 G CA -0.397 44.696 45.100 -0.012 0.000 0.947 516 G HN 1.035 nan 8.290 nan 0.000 0.478 517 T N -1.899 112.675 114.554 0.032 0.000 2.771 517 T HA 0.444 4.759 4.350 -0.058 0.000 0.290 517 T C 0.063 174.779 174.700 0.026 0.000 1.005 517 T CA -0.554 61.668 62.100 0.204 0.000 0.944 517 T CB 1.279 70.252 68.868 0.175 0.000 1.147 517 T HN 0.329 nan 8.240 nan 0.000 0.534 518 V N 2.363 122.215 119.914 -0.104 0.000 2.320 518 V HA 0.217 4.302 4.120 -0.058 0.000 0.265 518 V C 0.609 176.542 176.094 -0.269 0.000 1.048 518 V CA -0.519 61.528 62.300 -0.421 0.000 0.865 518 V CB 0.079 31.532 31.823 -0.616 0.000 1.043 518 V HN 0.799 nan 8.190 nan 0.000 0.474 519 Q N 2.679 122.327 119.800 -0.254 0.000 2.432 519 Q HA 0.095 4.401 4.340 -0.058 0.000 0.264 519 Q C 0.511 176.400 176.000 -0.185 0.000 1.035 519 Q CA -0.076 55.575 55.803 -0.255 0.000 0.908 519 Q CB 0.696 29.338 28.738 -0.161 0.000 1.280 519 Q HN 0.692 nan 8.270 nan 0.000 0.455 520 Y N 0.513 120.794 120.300 -0.033 0.000 2.102 520 Y HA -0.289 4.226 4.550 -0.058 0.000 0.280 520 Y C 2.572 178.450 175.900 -0.036 0.000 1.178 520 Y CA 1.639 59.718 58.100 -0.036 0.000 1.146 520 Y CB -0.848 37.608 38.460 -0.008 0.000 0.968 520 Y HN 0.681 nan 8.280 nan 0.000 0.504 521 S N -0.761 115.016 115.700 0.129 0.000 2.547 521 S HA -0.122 4.314 4.470 -0.058 0.000 0.235 521 S C 1.366 175.981 174.600 0.025 0.000 0.980 521 S CA 0.855 59.099 58.200 0.075 0.000 0.941 521 S CB -0.184 63.056 63.200 0.067 0.000 0.763 521 S HN 0.476 nan 8.310 nan 0.000 0.532 522 Q N 0.035 119.815 119.800 -0.033 0.000 2.281 522 Q HA 0.371 4.677 4.340 -0.058 0.000 0.215 522 Q C 1.815 177.727 176.000 -0.147 0.000 0.867 522 Q CA -0.079 55.669 55.803 -0.092 0.000 0.940 522 Q CB -0.004 28.616 28.738 -0.197 0.000 1.111 522 Q HN 0.563 nan 8.270 nan 0.000 0.513 523 I N 0.479 120.994 120.570 -0.092 0.000 2.208 523 I HA -0.221 3.915 4.170 -0.058 0.000 0.245 523 I C 2.173 178.277 176.117 -0.021 0.000 1.097 523 I CA 1.678 62.938 61.300 -0.066 0.000 1.363 523 I CB -0.784 37.225 38.000 0.014 0.000 1.051 523 I HN 0.201 nan 8.210 nan 0.000 0.413 524 G N 1.224 110.028 108.800 0.007 0.000 2.446 524 G HA2 -0.320 3.605 3.960 -0.058 0.000 0.217 524 G HA3 -0.320 3.605 3.960 -0.058 0.000 0.217 524 G C 1.744 176.664 174.900 0.034 0.000 1.168 524 G CA 1.086 46.201 45.100 0.025 0.000 0.771 524 G HN 0.376 nan 8.290 nan 0.000 0.551 525 K N 0.657 121.082 120.400 0.041 0.000 2.097 525 K HA 0.094 4.379 4.320 -0.058 0.000 0.206 525 K C 2.729 179.393 176.600 0.108 0.000 1.049 525 K CA 1.324 57.657 56.287 0.077 0.000 0.933 525 K CB -0.340 32.227 32.500 0.111 0.000 0.717 525 K HN 0.205 nan 8.250 nan 0.000 0.442 526 A N 1.117 123.983 122.820 0.077 0.000 1.858 526 A HA -0.132 4.154 4.320 -0.058 0.000 0.216 526 A C 2.300 179.934 177.584 0.084 0.000 1.190 526 A CA 1.966 54.070 52.037 0.111 0.000 0.617 526 A CB -0.950 17.989 19.000 -0.102 0.000 0.827 526 A HN 0.312 nan 8.150 nan 0.000 0.443 527 V N -2.196 117.747 119.914 0.049 0.000 2.453 527 V HA -0.251 3.834 4.120 -0.058 0.000 0.247 527 V C 2.303 178.430 176.094 0.054 0.000 1.048 527 V CA 2.310 64.641 62.300 0.053 0.000 1.049 527 V CB -1.139 30.711 31.823 0.044 0.000 0.672 527 V HN 0.638 nan 8.190 nan 0.000 0.457 528 Q N 1.589 121.420 119.800 0.053 0.000 2.084 528 Q HA -0.172 4.133 4.340 -0.058 0.000 0.202 528 Q C 2.281 178.310 176.000 0.048 0.000 0.978 528 Q CA 2.242 58.074 55.803 0.048 0.000 0.844 528 Q CB -0.174 28.591 28.738 0.045 0.000 0.898 528 Q HN 0.897 nan 8.270 nan 0.000 0.426 529 S N -1.581 114.155 115.700 0.059 0.000 2.607 529 S HA 0.126 4.561 4.470 -0.058 0.000 0.224 529 S C 1.399 176.030 174.600 0.051 0.000 0.969 529 S CA 0.513 58.745 58.200 0.052 0.000 0.927 529 S CB 0.188 63.422 63.200 0.058 0.000 0.772 529 S HN 0.640 nan 8.310 nan 0.000 0.533 530 G N 0.631 109.466 108.800 0.058 0.000 2.196 530 G HA2 -0.291 3.634 3.960 -0.058 0.000 0.268 530 G HA3 -0.291 3.634 3.960 -0.058 0.000 0.268 530 G C 0.115 175.054 174.900 0.064 0.000 0.975 530 G CA 0.361 45.495 45.100 0.057 0.000 0.648 530 G HN 1.255 nan 8.290 nan 0.000 0.538 531 N N -0.460 118.284 118.700 0.074 0.000 2.558 531 N HA 0.640 5.345 4.740 -0.058 0.000 0.242 531 N C -0.502 175.083 175.510 0.125 0.000 0.979 531 N CA 0.190 53.287 53.050 0.078 0.000 0.931 531 N CB 1.854 40.367 38.487 0.043 0.000 1.122 531 N HN 0.699 nan 8.380 nan 0.000 0.508 532 V N 1.292 121.270 119.914 0.107 0.000 2.311 532 V HA 0.677 4.763 4.120 -0.058 0.000 0.275 532 V C -0.472 175.668 176.094 0.075 0.000 1.022 532 V CA -0.461 61.894 62.300 0.092 0.000 0.830 532 V CB 0.508 32.385 31.823 0.090 0.000 1.012 532 V HN 0.870 nan 8.190 nan 0.000 0.452 533 E N 6.460 126.689 120.200 0.048 0.000 2.375 533 E HA 0.525 4.841 4.350 -0.058 0.000 0.280 533 E C -2.952 173.636 176.600 -0.020 0.000 0.972 533 E CA -1.568 54.851 56.400 0.033 0.000 0.782 533 E CB 3.249 32.986 29.700 0.062 0.000 1.229 533 E HN 0.343 nan 8.360 nan 0.000 0.439 534 P HA 0.125 nan 4.420 nan 0.000 0.272 534 P C -0.859 176.563 177.300 0.203 0.000 1.230 534 P CA -0.179 63.001 63.100 0.133 0.000 0.788 534 P CB 0.572 32.486 31.700 0.356 0.000 0.949 535 E N 1.544 121.911 120.200 0.279 0.000 2.257 535 E HA 0.132 4.448 4.350 -0.058 0.000 0.278 535 E C -0.250 176.593 176.600 0.405 0.000 1.049 535 E CA -0.099 56.447 56.400 0.244 0.000 0.876 535 E CB 0.350 30.213 29.700 0.273 0.000 1.035 535 E HN 0.283 nan 8.360 nan 0.000 0.419 536 K N 1.688 122.276 120.400 0.314 0.000 2.182 536 K HA 0.658 4.944 4.320 -0.058 0.000 0.262 536 K C -0.780 176.054 176.600 0.390 0.000 0.957 536 K CA -0.605 55.873 56.287 0.319 0.000 0.842 536 K CB 1.948 34.565 32.500 0.196 0.000 1.099 536 K HN 0.473 nan 8.250 nan 0.000 0.438 537 A N 2.368 125.351 122.820 0.272 0.000 2.435 537 A HA 0.740 5.026 4.320 -0.058 0.000 0.304 537 A C -1.336 176.303 177.584 0.091 0.000 1.064 537 A CA -0.750 51.401 52.037 0.189 0.000 0.727 537 A CB 1.551 20.514 19.000 -0.061 0.000 1.284 537 A HN 0.641 nan 8.150 nan 0.000 0.415 538 R N 0.772 121.327 120.500 0.093 0.000 2.473 538 R HA 0.608 4.914 4.340 -0.058 0.000 0.303 538 R C -1.073 175.220 176.300 -0.013 0.000 1.002 538 R CA 0.173 56.274 56.100 0.003 0.000 0.884 538 R CB 1.326 31.673 30.300 0.079 0.000 1.173 538 R HN 0.731 nan 8.270 nan 0.000 0.464 539 T N 3.363 117.823 114.554 -0.157 0.000 2.925 539 T HA 0.594 4.909 4.350 -0.058 0.000 0.285 539 T C -1.120 173.426 174.700 -0.257 0.000 1.021 539 T CA -0.293 61.770 62.100 -0.062 0.000 1.042 539 T CB 0.729 69.579 68.868 -0.030 0.000 1.037 539 T HN 0.437 nan 8.240 nan 0.000 0.481 540 W N 0.857 122.224 121.300 0.111 0.000 2.998 540 W HA 0.562 5.187 4.660 -0.058 0.000 0.335 540 W C -0.187 176.418 176.519 0.144 0.000 1.110 540 W CA -0.740 56.669 57.345 0.107 0.000 1.230 540 W CB 1.290 30.802 29.460 0.087 0.000 1.405 540 W HN 0.559 nan 8.180 nan 0.000 0.493 541 E N 2.536 122.954 120.200 0.363 0.000 2.393 541 E HA 0.771 5.087 4.350 -0.058 0.000 0.273 541 E C -1.421 175.345 176.600 0.276 0.000 0.918 541 E CA -1.266 55.338 56.400 0.340 0.000 0.773 541 E CB 2.938 32.864 29.700 0.376 0.000 1.275 541 E HN 0.330 nan 8.360 nan 0.000 0.451 542 L N 1.083 122.402 121.223 0.160 0.000 2.562 542 L HA 0.697 5.002 4.340 -0.058 0.000 0.266 542 L C -0.374 176.309 176.870 -0.313 0.000 0.949 542 L CA -0.560 54.232 54.840 -0.080 0.000 0.879 542 L CB 2.102 44.142 42.059 -0.032 0.000 1.278 542 L HN 0.767 nan 8.230 nan 0.000 0.404 543 G N 0.356 108.569 108.800 -0.978 0.000 2.600 543 G HA2 0.631 4.556 3.960 -0.058 0.000 0.293 543 G HA3 0.631 4.556 3.960 -0.058 0.000 0.293 543 G C -1.812 172.598 174.900 -0.816 0.000 1.408 543 G CA -0.344 44.224 45.100 -0.887 0.000 0.782 543 G HN 0.363 nan 8.290 nan 0.000 0.482 544 T N -0.982 113.440 114.554 -0.220 0.000 2.900 544 T HA 0.736 5.051 4.350 -0.058 0.000 0.303 544 T C -1.233 173.595 174.700 0.213 0.000 1.142 544 T CA -0.625 61.510 62.100 0.059 0.000 1.007 544 T CB 1.811 70.828 68.868 0.249 0.000 1.156 544 T HN 0.567 nan 8.240 nan 0.000 0.490 545 R N 1.909 122.570 120.500 0.268 0.000 2.628 545 R HA 0.575 4.880 4.340 -0.058 0.000 0.288 545 R C -2.037 174.518 176.300 0.424 0.000 0.980 545 R CA -0.766 55.489 56.100 0.260 0.000 0.891 545 R CB 2.009 32.352 30.300 0.072 0.000 1.188 545 R HN 0.715 nan 8.270 nan 0.000 0.450 546 Y N 1.538 121.963 120.300 0.207 0.000 2.545 546 Y HA 0.389 4.904 4.550 -0.058 0.000 0.348 546 Y C -1.376 174.582 175.900 0.098 0.000 1.002 546 Y CA -0.680 57.464 58.100 0.072 0.000 1.039 546 Y CB 2.109 40.346 38.460 -0.372 0.000 1.271 546 Y HN 0.519 nan 8.280 nan 0.000 0.467 547 D N 3.721 123.710 120.400 -0.685 0.000 2.362 547 D HA 0.091 4.697 4.640 -0.058 0.000 0.228 547 D C -1.165 174.757 176.300 -0.630 0.000 1.326 547 D CA -0.279 53.422 54.000 -0.498 0.000 0.927 547 D CB 0.348 40.902 40.800 -0.410 0.000 1.501 547 D HN 0.752 nan 8.370 nan 0.000 0.519 548 D N 1.866 121.945 120.400 -0.535 0.000 2.336 548 D HA 0.285 4.891 4.640 -0.058 0.000 0.228 548 D C 1.520 177.754 176.300 -0.110 0.000 1.120 548 D CA 0.496 54.330 54.000 -0.277 0.000 0.839 548 D CB 0.230 41.011 40.800 -0.032 0.000 0.932 548 D HN 0.587 nan 8.370 nan 0.000 0.509 549 G N -0.027 108.703 108.800 -0.116 0.000 2.383 549 G HA2 -0.343 3.583 3.960 -0.058 0.000 0.229 549 G HA3 -0.343 3.583 3.960 -0.058 0.000 0.229 549 G C 1.227 176.118 174.900 -0.015 0.000 1.089 549 G CA 0.250 45.308 45.100 -0.069 0.000 0.640 549 G HN 0.852 nan 8.290 nan 0.000 0.510 550 A N -0.760 122.083 122.820 0.038 0.000 2.140 550 A HA 0.733 5.018 4.320 -0.058 0.000 0.209 550 A C 0.806 178.510 177.584 0.200 0.000 1.181 550 A CA 1.407 53.477 52.037 0.054 0.000 0.824 550 A CB 0.359 19.391 19.000 0.052 0.000 0.879 550 A HN 1.313 nan 8.150 nan 0.000 0.480 551 L N 1.467 122.851 121.223 0.268 0.000 2.438 551 L HA 0.534 4.840 4.340 -0.058 0.000 0.270 551 L C -1.254 175.755 176.870 0.232 0.000 0.972 551 L CA 0.081 55.134 54.840 0.354 0.000 0.831 551 L CB 1.657 43.927 42.059 0.352 0.000 1.273 551 L HN 0.234 nan 8.230 nan 0.000 0.405 552 T N 2.085 116.751 114.554 0.187 0.000 2.829 552 T HA 0.955 5.270 4.350 -0.058 0.000 0.280 552 T C -0.391 174.405 174.700 0.160 0.000 0.999 552 T CA -0.361 61.828 62.100 0.148 0.000 0.983 552 T CB 2.180 71.100 68.868 0.088 0.000 0.968 552 T HN 1.040 nan 8.240 nan 0.000 0.446 553 A N 2.545 125.472 122.820 0.178 0.000 2.610 553 A HA 0.910 5.196 4.320 -0.058 0.000 0.291 553 A C -1.206 176.466 177.584 0.147 0.000 1.086 553 A CA -1.085 51.027 52.037 0.125 0.000 0.677 553 A CB 1.657 20.682 19.000 0.041 0.000 1.278 553 A HN 1.216 nan 8.150 nan 0.000 0.414 554 E N -0.167 120.108 120.200 0.125 0.000 2.388 554 E HA 0.693 5.009 4.350 -0.058 0.000 0.280 554 E C -1.243 175.436 176.600 0.130 0.000 1.019 554 E CA -0.760 55.729 56.400 0.148 0.000 0.806 554 E CB 1.620 31.419 29.700 0.166 0.000 1.246 554 E HN 1.004 nan 8.360 nan 0.000 0.443 555 M N 1.303 120.983 119.600 0.132 0.000 2.534 555 M HA 0.700 5.145 4.480 -0.058 0.000 0.280 555 M C -1.826 174.538 176.300 0.105 0.000 1.217 555 M CA -0.112 55.260 55.300 0.119 0.000 0.893 555 M CB 2.493 35.147 32.600 0.090 0.000 1.730 555 M HN 0.895 nan 8.290 nan 0.000 0.483 556 G N 2.698 111.570 108.800 0.121 0.000 2.579 556 G HA2 0.582 4.507 3.960 -0.058 0.000 0.292 556 G HA3 0.582 4.507 3.960 -0.058 0.000 0.292 556 G C -2.419 172.564 174.900 0.138 0.000 1.484 556 G CA -0.864 44.300 45.100 0.107 0.000 0.813 556 G HN 0.786 nan 8.290 nan 0.000 0.515 557 L N -0.088 121.196 121.223 0.101 0.000 2.322 557 L HA 0.883 5.188 4.340 -0.058 0.000 0.269 557 L C -0.509 176.461 176.870 0.166 0.000 1.012 557 L CA -1.072 53.791 54.840 0.038 0.000 0.815 557 L CB 1.953 43.995 42.059 -0.029 0.000 1.295 557 L HN 0.694 nan 8.230 nan 0.000 0.438 558 F N 1.107 121.125 119.950 0.113 0.000 2.619 558 F HA 0.793 5.286 4.527 -0.057 0.000 0.308 558 F C -1.648 174.237 175.800 0.142 0.000 1.097 558 F CA -1.287 56.793 58.000 0.134 0.000 0.953 558 F CB 1.471 40.533 39.000 0.104 0.000 1.287 558 F HN 0.231 nan 8.300 nan 0.000 0.446 559 L N 4.090 125.559 121.223 0.410 0.000 2.436 559 L HA 0.814 5.119 4.340 -0.058 0.000 0.268 559 L C -1.810 175.318 176.870 0.431 0.000 0.974 559 L CA -0.960 54.085 54.840 0.342 0.000 0.826 559 L CB 1.911 44.118 42.059 0.246 0.000 1.291 559 L HN 0.742 nan 8.230 nan 0.000 0.406 560 I N 4.629 125.435 120.570 0.393 0.000 2.512 560 I HA 0.420 4.556 4.170 -0.058 0.000 0.287 560 I C -0.890 175.428 176.117 0.336 0.000 1.069 560 I CA -0.617 60.876 61.300 0.323 0.000 1.056 560 I CB 2.023 40.160 38.000 0.229 0.000 1.229 560 I HN 0.547 nan 8.210 nan 0.000 0.429 561 N N 5.856 124.735 118.700 0.300 0.000 2.446 561 N HA 0.360 5.066 4.740 -0.058 0.000 0.265 561 N C -1.535 174.178 175.510 0.337 0.000 0.975 561 N CA -0.327 52.897 53.050 0.291 0.000 0.928 561 N CB 2.283 40.919 38.487 0.250 0.000 1.160 561 N HN 0.345 nan 8.380 nan 0.000 0.495 562 F N 3.020 123.060 119.950 0.150 0.000 2.382 562 F HA 0.448 4.940 4.527 -0.058 0.000 0.361 562 F C -0.510 175.338 175.800 0.079 0.000 1.109 562 F CA -1.275 56.787 58.000 0.104 0.000 1.031 562 F CB 0.165 39.227 39.000 0.103 0.000 1.234 562 F HN 0.282 nan 8.300 nan 0.000 0.445 563 N N 2.614 121.405 118.700 0.152 0.000 2.525 563 N HA 0.310 5.015 4.740 -0.058 0.000 0.288 563 N C -0.423 174.985 175.510 -0.170 0.000 1.242 563 N CA -0.892 52.132 53.050 -0.043 0.000 0.905 563 N CB 0.507 39.016 38.487 0.037 0.000 1.258 563 N HN 0.519 nan 8.380 nan 0.000 0.551 564 N N -0.260 118.323 118.700 -0.194 0.000 2.725 564 N HA -0.228 4.478 4.740 -0.058 0.000 0.251 564 N C -1.390 173.875 175.510 -0.409 0.000 1.031 564 N CA 0.510 53.395 53.050 -0.276 0.000 0.720 564 N CB -0.889 37.491 38.487 -0.178 0.000 0.930 564 N HN 0.519 nan 8.380 nan 0.000 0.543 565 Q N -0.216 119.314 119.800 -0.450 0.000 2.288 565 Q HA 0.099 4.405 4.340 -0.058 0.000 0.258 565 Q C 0.501 176.303 176.000 -0.330 0.000 0.957 565 Q CA -0.399 55.145 55.803 -0.433 0.000 0.919 565 Q CB 0.408 28.819 28.738 -0.545 0.000 1.185 565 Q HN 0.441 nan 8.270 nan 0.000 0.408 566 Y N 0.151 120.371 120.300 -0.133 0.000 2.497 566 Y HA -0.121 4.394 4.550 -0.058 0.000 0.292 566 Y C 0.573 176.433 175.900 -0.067 0.000 1.137 566 Y CA 0.734 58.782 58.100 -0.086 0.000 1.285 566 Y CB 0.467 38.885 38.460 -0.071 0.000 0.991 566 Y HN 0.519 nan 8.280 nan 0.000 0.556 567 D N 0.182 120.597 120.400 0.025 0.000 2.347 567 D HA 0.058 4.664 4.640 -0.058 0.000 0.235 567 D C -0.343 175.934 176.300 -0.038 0.000 1.149 567 D CA 0.101 54.107 54.000 0.010 0.000 0.850 567 D CB 1.159 41.968 40.800 0.014 0.000 1.061 567 D HN -0.030 nan 8.370 nan 0.000 0.487 568 S N 2.299 117.985 115.700 -0.024 0.000 2.601 568 S HA 0.117 4.552 4.470 -0.058 0.000 0.271 568 S C 0.924 175.512 174.600 -0.020 0.000 1.305 568 S CA -0.392 57.786 58.200 -0.037 0.000 1.022 568 S CB 0.557 63.742 63.200 -0.025 0.000 0.940 568 S HN 0.336 nan 8.310 nan 0.000 0.525 569 N N 1.512 120.196 118.700 -0.027 0.000 2.270 569 N HA 0.160 4.866 4.740 -0.058 0.000 0.198 569 N C -0.143 175.354 175.510 -0.022 0.000 1.117 569 N CA -0.072 52.964 53.050 -0.023 0.000 0.845 569 N CB 0.356 38.823 38.487 -0.032 0.000 0.980 569 N HN 0.558 nan 8.380 nan 0.000 0.486 570 Q N -0.255 119.538 119.800 -0.011 0.000 2.312 570 Q HA 0.099 4.405 4.340 -0.058 0.000 0.236 570 Q C 1.236 177.238 176.000 0.002 0.000 0.965 570 Q CA 0.072 55.871 55.803 -0.007 0.000 0.894 570 Q CB 0.883 29.620 28.738 -0.003 0.000 1.225 570 Q HN 0.333 nan 8.270 nan 0.000 0.478 571 T N -1.890 112.664 114.554 0.001 0.000 2.977 571 T HA -0.114 4.202 4.350 -0.058 0.000 0.271 571 T C 0.473 175.196 174.700 0.039 0.000 1.105 571 T CA 0.882 62.994 62.100 0.020 0.000 1.116 571 T CB -0.148 68.728 68.868 0.013 0.000 0.878 571 T HN 0.658 nan 8.240 nan 0.000 0.509 572 N N 1.021 119.736 118.700 0.025 0.000 2.540 572 N HA 0.189 4.895 4.740 -0.058 0.000 0.275 572 N C -2.037 173.486 175.510 0.021 0.000 1.053 572 N CA -0.645 52.421 53.050 0.027 0.000 0.876 572 N CB 1.552 40.051 38.487 0.020 0.000 1.284 572 N HN 0.100 nan 8.380 nan 0.000 0.518 573 D N 1.885 122.301 120.400 0.026 0.000 2.390 573 D HA 0.157 4.763 4.640 -0.058 0.000 0.249 573 D C -0.221 176.091 176.300 0.020 0.000 1.144 573 D CA 0.474 54.487 54.000 0.021 0.000 0.880 573 D CB 1.227 42.045 40.800 0.031 0.000 1.182 573 D HN 0.683 nan 8.370 nan 0.000 0.451 574 T N -0.526 114.036 114.554 0.013 0.000 2.926 574 T HA 0.223 4.539 4.350 -0.058 0.000 0.289 574 T C 1.225 175.936 174.700 0.018 0.000 1.054 574 T CA -0.802 61.306 62.100 0.014 0.000 1.015 574 T CB 1.222 70.094 68.868 0.007 0.000 1.167 574 T HN 0.090 nan 8.240 nan 0.000 0.526 575 V N 1.464 121.392 119.914 0.023 0.000 2.332 575 V HA -0.143 3.943 4.120 -0.058 0.000 0.248 575 V C 2.791 178.901 176.094 0.026 0.000 1.055 575 V CA 2.966 65.286 62.300 0.033 0.000 1.038 575 V CB -0.927 30.915 31.823 0.032 0.000 0.651 575 V HN 1.170 nan 8.190 nan 0.000 0.450 576 T N -2.149 112.410 114.554 0.007 0.000 3.065 576 T HA 0.358 4.674 4.350 -0.058 0.000 0.252 576 T C 0.827 175.504 174.700 -0.037 0.000 1.099 576 T CA 0.521 62.615 62.100 -0.011 0.000 1.063 576 T CB -0.165 68.697 68.868 -0.009 0.000 0.948 576 T HN 0.556 nan 8.240 nan 0.000 0.506 577 A N 2.199 125.000 122.820 -0.032 0.000 2.531 577 A HA 0.535 4.820 4.320 -0.058 0.000 0.236 577 A C 0.284 177.812 177.584 -0.093 0.000 1.062 577 A CA -0.214 51.794 52.037 -0.049 0.000 0.760 577 A CB 0.149 19.132 19.000 -0.029 0.000 0.995 577 A HN 0.366 nan 8.150 nan 0.000 0.501 578 R N 1.275 121.706 120.500 -0.115 0.000 2.515 578 R HA 0.364 4.669 4.340 -0.058 0.000 0.291 578 R C 0.125 176.332 176.300 -0.155 0.000 1.046 578 R CA -0.110 55.878 56.100 -0.186 0.000 0.914 578 R CB 1.561 31.724 30.300 -0.228 0.000 1.191 578 R HN 0.968 nan 8.270 nan 0.000 0.435 579 G N 1.813 110.506 108.800 -0.177 0.000 2.441 579 G HA2 0.175 4.100 3.960 -0.058 0.000 0.243 579 G HA3 0.175 4.100 3.960 -0.058 0.000 0.243 579 G C -0.464 174.324 174.900 -0.187 0.000 1.281 579 G CA -0.042 44.963 45.100 -0.157 0.000 0.854 579 G HN 0.405 nan 8.290 nan 0.000 0.560 580 K N 0.661 120.999 120.400 -0.104 0.000 2.601 580 K HA 0.528 4.813 4.320 -0.058 0.000 0.249 580 K C -0.616 175.983 176.600 -0.001 0.000 0.966 580 K CA -0.644 55.608 56.287 -0.058 0.000 0.827 580 K CB 1.492 33.987 32.500 -0.007 0.000 1.178 580 K HN 0.673 nan 8.250 nan 0.000 0.437 581 T N 0.639 115.228 114.554 0.059 0.000 2.906 581 T HA 0.570 4.886 4.350 -0.058 0.000 0.295 581 T C -0.899 173.878 174.700 0.128 0.000 1.075 581 T CA -1.024 61.117 62.100 0.068 0.000 1.005 581 T CB 1.817 70.762 68.868 0.129 0.000 1.136 581 T HN 0.637 nan 8.240 nan 0.000 0.498 582 R N 0.550 121.019 120.500 -0.052 0.000 2.561 582 R HA 0.493 4.799 4.340 -0.058 0.000 0.297 582 R C -1.233 174.950 176.300 -0.194 0.000 0.969 582 R CA -0.649 55.465 56.100 0.022 0.000 0.879 582 R CB 1.065 31.375 30.300 0.018 0.000 1.178 582 R HN 0.876 nan 8.270 nan 0.000 0.445 583 H N 3.180 122.345 119.070 0.158 0.000 2.800 583 H HA 0.307 4.828 4.556 -0.058 0.000 0.322 583 H C -0.736 174.773 175.328 0.302 0.000 0.979 583 H CA -0.731 55.447 56.048 0.217 0.000 1.277 583 H CB 1.995 31.889 29.762 0.221 0.000 1.484 583 H HN 0.774 nan 8.280 nan 0.000 0.512 584 T N 0.784 115.444 114.554 0.176 0.000 2.906 584 T HA 0.803 5.118 4.350 -0.058 0.000 0.295 584 T C 0.357 174.732 174.700 -0.541 0.000 1.061 584 T CA -0.650 61.337 62.100 -0.188 0.000 1.000 584 T CB 2.858 71.667 68.868 -0.098 0.000 1.103 584 T HN 0.792 nan 8.240 nan 0.000 0.486 585 G N 0.403 108.489 108.800 -1.191 0.000 2.325 585 G HA2 0.487 4.412 3.960 -0.058 0.000 0.295 585 G HA3 0.487 4.412 3.960 -0.058 0.000 0.295 585 G C -2.337 172.212 174.900 -0.583 0.000 1.274 585 G CA -0.625 44.052 45.100 -0.706 0.000 0.857 585 G HN 1.123 nan 8.290 nan 0.000 0.499 586 L N -0.025 121.173 121.223 -0.043 0.000 2.408 586 L HA 0.836 5.142 4.340 -0.058 0.000 0.268 586 L C -1.005 175.972 176.870 0.179 0.000 0.986 586 L CA -0.669 54.225 54.840 0.090 0.000 0.820 586 L CB 2.061 44.196 42.059 0.127 0.000 1.303 586 L HN 0.714 nan 8.230 nan 0.000 0.411 587 E N 2.695 123.023 120.200 0.214 0.000 2.266 587 E HA 0.634 4.949 4.350 -0.058 0.000 0.268 587 E C -1.284 175.411 176.600 0.158 0.000 0.879 587 E CA -0.697 55.799 56.400 0.160 0.000 0.762 587 E CB 2.655 32.460 29.700 0.175 0.000 1.199 587 E HN 0.526 nan 8.360 nan 0.000 0.422 588 T N 1.404 116.050 114.554 0.153 0.000 2.786 588 T HA 0.393 4.708 4.350 -0.058 0.000 0.316 588 T C -2.159 172.642 174.700 0.168 0.000 1.503 588 T CA -0.590 61.611 62.100 0.168 0.000 1.019 588 T CB 1.569 70.553 68.868 0.194 0.000 1.415 588 T HN 0.654 nan 8.240 nan 0.000 0.496 589 Q N 1.268 121.157 119.800 0.148 0.000 2.647 589 Q HA 0.742 5.047 4.340 -0.058 0.000 0.283 589 Q C -2.106 173.975 176.000 0.134 0.000 0.943 589 Q CA -1.202 54.691 55.803 0.150 0.000 0.813 589 Q CB 1.225 30.039 28.738 0.128 0.000 1.477 589 Q HN 1.153 nan 8.270 nan 0.000 0.393 590 A N 1.111 124.021 122.820 0.151 0.000 2.605 590 A HA 0.843 5.128 4.320 -0.058 0.000 0.294 590 A C -1.816 175.884 177.584 0.193 0.000 1.062 590 A CA -0.665 51.456 52.037 0.140 0.000 0.682 590 A CB 2.270 21.325 19.000 0.090 0.000 1.278 590 A HN 0.729 nan 8.150 nan 0.000 0.410 591 R N 0.573 121.189 120.500 0.193 0.000 2.574 591 R HA 0.624 4.930 4.340 -0.058 0.000 0.288 591 R C -2.385 174.087 176.300 0.286 0.000 1.004 591 R CA -0.446 55.797 56.100 0.237 0.000 0.895 591 R CB 1.627 32.026 30.300 0.165 0.000 1.191 591 R HN 0.843 nan 8.270 nan 0.000 0.444 592 Y N 2.432 122.797 120.300 0.107 0.000 2.421 592 Y HA 0.239 4.755 4.550 -0.058 0.000 0.339 592 Y C -1.125 174.820 175.900 0.074 0.000 0.996 592 Y CA -1.433 56.712 58.100 0.075 0.000 1.046 592 Y CB 1.829 40.322 38.460 0.055 0.000 1.226 592 Y HN 0.590 nan 8.280 nan 0.000 0.445 593 D N 5.996 126.169 120.400 -0.378 0.000 2.374 593 D HA 0.120 4.725 4.640 -0.058 0.000 0.240 593 D C 0.709 176.668 176.300 -0.568 0.000 1.229 593 D CA 0.273 54.073 54.000 -0.333 0.000 0.895 593 D CB 0.712 41.370 40.800 -0.236 0.000 1.046 593 D HN 0.828 nan 8.370 nan 0.000 0.498 594 L N 3.005 124.053 121.223 -0.291 0.000 2.549 594 L HA 0.016 4.321 4.340 -0.058 0.000 0.229 594 L C 2.333 179.112 176.870 -0.151 0.000 1.158 594 L CA 0.595 55.312 54.840 -0.204 0.000 0.842 594 L CB -0.050 41.983 42.059 -0.043 0.000 0.952 594 L HN 0.455 nan 8.230 nan 0.000 0.452 595 G N -0.140 108.577 108.800 -0.137 0.000 2.509 595 G HA2 -0.238 3.687 3.960 -0.058 0.000 0.218 595 G HA3 -0.238 3.687 3.960 -0.058 0.000 0.218 595 G C 1.619 176.469 174.900 -0.084 0.000 1.124 595 G CA 1.102 46.156 45.100 -0.077 0.000 0.776 595 G HN 0.465 nan 8.290 nan 0.000 0.547 596 T N -1.309 113.157 114.554 -0.147 0.000 3.118 596 T HA 0.214 4.530 4.350 -0.058 0.000 0.260 596 T C 2.070 176.750 174.700 -0.034 0.000 1.139 596 T CA 0.362 62.406 62.100 -0.094 0.000 1.085 596 T CB -0.056 68.737 68.868 -0.126 0.000 0.934 596 T HN 0.231 nan 8.240 nan 0.000 0.518 597 L N -0.153 121.050 121.223 -0.034 0.000 2.425 597 L HA 0.368 4.673 4.340 -0.058 0.000 0.215 597 L C 1.133 178.003 176.870 -0.001 0.000 1.065 597 L CA 0.256 55.102 54.840 0.010 0.000 0.842 597 L CB 0.380 42.460 42.059 0.035 0.000 1.033 597 L HN 0.339 nan 8.230 nan 0.000 0.474 598 T N -1.885 112.661 114.554 -0.014 0.000 3.087 598 T HA 0.265 4.580 4.350 -0.058 0.000 0.351 598 T C -2.517 172.175 174.700 -0.014 0.000 1.520 598 T CA -0.828 61.265 62.100 -0.012 0.000 1.111 598 T CB 1.795 70.655 68.868 -0.013 0.000 1.353 598 T HN -0.319 nan 8.240 nan 0.000 0.481 599 P HA 0.085 nan 4.420 nan 0.000 0.230 599 P C 1.290 178.591 177.300 0.003 0.000 1.158 599 P CA 0.707 63.807 63.100 0.001 0.000 0.769 599 P CB 0.130 31.832 31.700 0.004 0.000 0.807 600 T N -0.600 113.948 114.554 -0.011 0.000 2.915 600 T HA -0.002 4.314 4.350 -0.058 0.000 0.269 600 T C 1.086 175.762 174.700 -0.041 0.000 1.071 600 T CA 0.966 63.052 62.100 -0.024 0.000 1.132 600 T CB -0.418 68.428 68.868 -0.036 0.000 0.878 600 T HN 0.143 nan 8.240 nan 0.000 0.479 601 L N 1.020 122.222 121.223 -0.034 0.000 2.928 601 L HA 0.345 4.650 4.340 -0.058 0.000 0.246 601 L C -0.119 176.755 176.870 0.006 0.000 1.239 601 L CA -0.432 54.380 54.840 -0.046 0.000 1.035 601 L CB 0.057 42.085 42.059 -0.051 0.000 1.360 601 L HN 0.026 nan 8.230 nan 0.000 0.529 602 D N 0.606 121.032 120.400 0.044 0.000 2.423 602 D HA 0.019 4.624 4.640 -0.058 0.000 0.238 602 D C 0.662 177.057 176.300 0.159 0.000 1.142 602 D CA 0.794 54.837 54.000 0.071 0.000 0.884 602 D CB 0.306 41.146 40.800 0.068 0.000 1.199 602 D HN 0.190 nan 8.370 nan 0.000 0.438 603 N N -0.357 118.416 118.700 0.121 0.000 2.778 603 N HA -0.190 4.515 4.740 -0.058 0.000 0.249 603 N C -1.111 174.562 175.510 0.272 0.000 1.069 603 N CA -0.009 53.138 53.050 0.161 0.000 0.831 603 N CB -0.521 38.055 38.487 0.149 0.000 1.142 603 N HN 0.042 nan 8.380 nan 0.000 0.573 604 V N 0.644 120.679 119.914 0.201 0.000 2.347 604 V HA 0.493 4.578 4.120 -0.058 0.000 0.280 604 V C 0.105 176.260 176.094 0.102 0.000 1.021 604 V CA -0.351 62.053 62.300 0.173 0.000 0.847 604 V CB 1.628 33.468 31.823 0.029 0.000 0.990 604 V HN 0.195 nan 8.190 nan 0.000 0.444 605 S N 5.613 121.401 115.700 0.147 0.000 2.503 605 S HA 0.796 5.232 4.470 -0.058 0.000 0.301 605 S C -0.869 173.846 174.600 0.191 0.000 1.087 605 S CA -0.560 57.725 58.200 0.143 0.000 1.042 605 S CB 1.397 64.691 63.200 0.157 0.000 1.043 605 S HN 0.673 nan 8.310 nan 0.000 0.489 606 I N 4.323 125.010 120.570 0.196 0.000 2.689 606 I HA 0.767 4.902 4.170 -0.058 0.000 0.299 606 I C -1.661 174.605 176.117 0.249 0.000 1.059 606 I CA -0.970 60.427 61.300 0.162 0.000 1.055 606 I CB 1.687 39.756 38.000 0.114 0.000 1.243 606 I HN 0.911 nan 8.210 nan 0.000 0.425 607 Y N 4.817 125.190 120.300 0.122 0.000 2.670 607 Y HA 0.926 5.441 4.550 -0.058 0.000 0.334 607 Y C -1.467 174.498 175.900 0.108 0.000 1.185 607 Y CA -0.893 57.274 58.100 0.112 0.000 1.053 607 Y CB 1.076 39.596 38.460 0.100 0.000 1.298 607 Y HN 0.729 nan 8.280 nan 0.000 0.459 608 A N 1.135 124.151 122.820 0.327 0.000 2.594 608 A HA 0.739 5.025 4.320 -0.058 0.000 0.296 608 A C -1.350 176.393 177.584 0.265 0.000 1.056 608 A CA -0.183 51.996 52.037 0.238 0.000 0.693 608 A CB 0.989 20.071 19.000 0.136 0.000 1.278 608 A HN 1.752 nan 8.150 nan 0.000 0.408 609 S N 0.494 116.341 115.700 0.246 0.000 2.548 609 S HA 0.893 5.329 4.470 -0.058 0.000 0.286 609 S C -1.037 173.716 174.600 0.255 0.000 1.098 609 S CA -0.628 57.690 58.200 0.196 0.000 0.930 609 S CB 1.734 65.002 63.200 0.115 0.000 1.070 609 S HN 2.074 nan 8.310 nan 0.000 0.480 610 Y N 0.505 120.861 120.300 0.094 0.000 2.604 610 Y HA 0.656 5.171 4.550 -0.058 0.000 0.331 610 Y C -1.870 174.106 175.900 0.125 0.000 1.158 610 Y CA -0.347 57.829 58.100 0.127 0.000 1.056 610 Y CB 1.241 39.828 38.460 0.211 0.000 1.330 610 Y HN 1.320 nan 8.280 nan 0.000 0.457 611 A N 4.199 126.490 122.820 -0.881 0.000 2.437 611 A HA 0.547 4.832 4.320 -0.058 0.000 0.293 611 A C -2.684 174.462 177.584 -0.729 0.000 1.038 611 A CA -0.553 51.116 52.037 -0.613 0.000 0.708 611 A CB 0.712 19.578 19.000 -0.223 0.000 1.251 611 A HN 0.857 nan 8.150 nan 0.000 0.409 612 Y N 2.928 122.928 120.300 -0.501 0.000 2.367 612 Y HA 0.596 5.111 4.550 -0.057 0.000 0.342 612 Y C -1.056 174.781 175.900 -0.105 0.000 0.979 612 Y CA -0.581 57.373 58.100 -0.243 0.000 1.161 612 Y CB 1.237 39.689 38.460 -0.014 0.000 1.155 612 Y HN 0.463 nan 8.280 nan 0.000 0.503 613 V N 6.506 125.971 119.914 -0.748 0.000 2.483 613 V HA 0.276 4.362 4.120 -0.058 0.000 0.297 613 V C -0.973 174.762 176.094 -0.598 0.000 1.027 613 V CA -0.936 61.118 62.300 -0.410 0.000 0.855 613 V CB 1.645 33.401 31.823 -0.111 0.000 0.995 613 V HN 0.765 nan 8.190 nan 0.000 0.424 614 N N 3.652 122.099 118.700 -0.420 0.000 2.706 614 N HA 0.598 5.304 4.740 -0.058 0.000 0.240 614 N C -0.394 175.024 175.510 -0.153 0.000 1.039 614 N CA -0.160 52.712 53.050 -0.297 0.000 0.888 614 N CB 1.390 39.759 38.487 -0.197 0.000 1.128 614 N HN 0.856 nan 8.380 nan 0.000 0.512 615 A N 3.099 125.824 122.820 -0.159 0.000 2.252 615 A HA 0.486 4.772 4.320 -0.058 0.000 0.309 615 A C -0.206 177.226 177.584 -0.253 0.000 1.285 615 A CA -0.525 51.335 52.037 -0.295 0.000 0.900 615 A CB 0.161 19.064 19.000 -0.162 0.000 1.157 615 A HN 0.724 nan 8.150 nan 0.000 0.536 616 E N 2.503 122.529 120.200 -0.289 0.000 2.299 616 E HA 0.647 4.962 4.350 -0.058 0.000 0.265 616 E C -1.253 175.231 176.600 -0.193 0.000 0.911 616 E CA -0.879 55.398 56.400 -0.205 0.000 0.789 616 E CB 1.606 31.199 29.700 -0.178 0.000 1.246 616 E HN 0.484 nan 8.360 nan 0.000 0.427 617 I N 2.120 122.583 120.570 -0.178 0.000 2.312 617 I HA 0.180 4.315 4.170 -0.058 0.000 0.291 617 I C 0.549 176.553 176.117 -0.188 0.000 1.031 617 I CA -0.599 60.617 61.300 -0.140 0.000 1.293 617 I CB 0.539 38.469 38.000 -0.117 0.000 1.403 617 I HN 0.327 nan 8.210 nan 0.000 0.484 618 R N 4.663 125.120 120.500 -0.073 0.000 2.586 618 R HA 0.154 4.459 4.340 -0.058 0.000 0.336 618 R C 0.061 176.531 176.300 0.282 0.000 1.060 618 R CA -0.160 55.965 56.100 0.041 0.000 1.079 618 R CB -0.104 30.236 30.300 0.066 0.000 1.317 618 R HN 0.606 nan 8.270 nan 0.000 0.568 619 E N 1.773 122.094 120.200 0.201 0.000 2.229 619 E HA 0.113 4.428 4.350 -0.058 0.000 0.283 619 E C -0.743 175.980 176.600 0.206 0.000 1.030 619 E CA -0.461 56.024 56.400 0.143 0.000 0.836 619 E CB 0.777 30.500 29.700 0.039 0.000 1.068 619 E HN -0.100 nan 8.360 nan 0.000 0.401 620 K N 3.140 123.566 120.400 0.043 0.000 2.436 620 K HA 0.326 4.612 4.320 -0.058 0.000 0.282 620 K C 0.159 176.744 176.600 -0.026 0.000 1.044 620 K CA 0.516 56.741 56.287 -0.103 0.000 1.028 620 K CB 0.894 33.287 32.500 -0.179 0.000 0.919 620 K HN 0.745 nan 8.250 nan 0.000 0.474 621 G N 1.945 110.747 108.800 0.003 0.000 2.344 621 G HA2 -0.107 3.819 3.960 -0.058 0.000 0.282 621 G HA3 -0.107 3.819 3.960 -0.058 0.000 0.282 621 G C -0.883 174.035 174.900 0.031 0.000 1.281 621 G CA -0.468 44.638 45.100 0.009 0.000 0.877 621 G HN 0.588 nan 8.290 nan 0.000 0.494 622 D N -0.620 119.788 120.400 0.013 0.000 2.371 622 D HA 0.074 4.679 4.640 -0.058 0.000 0.234 622 D C 1.578 177.876 176.300 -0.002 0.000 1.049 622 D CA 1.650 55.653 54.000 0.005 0.000 0.907 622 D CB -0.112 40.684 40.800 -0.006 0.000 0.891 622 D HN 0.758 nan 8.370 nan 0.000 0.531 623 T N -5.266 109.296 114.554 0.013 0.000 3.087 623 T HA 0.085 4.400 4.350 -0.058 0.000 0.283 623 T C 0.157 174.850 174.700 -0.011 0.000 0.956 623 T CA -0.765 61.318 62.100 -0.028 0.000 0.894 623 T CB -1.007 67.826 68.868 -0.059 0.000 1.160 623 T HN 0.088 nan 8.240 nan 0.000 0.532 624 Y N 2.833 123.095 120.300 -0.062 0.000 2.802 624 Y HA 0.344 4.860 4.550 -0.058 0.000 0.333 624 Y C 1.504 177.370 175.900 -0.057 0.000 1.244 624 Y CA 1.372 59.439 58.100 -0.054 0.000 1.558 624 Y CB -0.267 38.167 38.460 -0.043 0.000 1.233 624 Y HN 0.501 nan 8.280 nan 0.000 0.547 625 G N 3.499 111.919 108.800 -0.633 0.000 2.234 625 G HA2 -0.298 3.628 3.960 -0.058 0.000 0.235 625 G HA3 -0.298 3.628 3.960 -0.058 0.000 0.235 625 G C 0.264 175.011 174.900 -0.255 0.000 0.997 625 G CA -0.011 44.817 45.100 -0.453 0.000 0.623 625 G HN 0.632 nan 8.290 nan 0.000 0.514 626 N N 0.257 118.826 118.700 -0.218 0.000 2.381 626 N HA 0.550 5.255 4.740 -0.058 0.000 0.254 626 N C 0.615 176.020 175.510 -0.175 0.000 1.264 626 N CA -0.104 52.825 53.050 -0.202 0.000 0.942 626 N CB 0.420 38.775 38.487 -0.221 0.000 1.190 626 N HN 0.348 nan 8.380 nan 0.000 0.495 627 L N 0.846 121.979 121.223 -0.150 0.000 2.312 627 L HA 0.310 4.615 4.340 -0.058 0.000 0.281 627 L C 0.188 177.015 176.870 -0.072 0.000 1.070 627 L CA -0.970 53.830 54.840 -0.067 0.000 0.805 627 L CB 1.029 43.138 42.059 0.084 0.000 1.174 627 L HN 0.097 nan 8.230 nan 0.000 0.434 628 V N 4.023 123.896 119.914 -0.068 0.000 2.763 628 V HA 0.031 4.116 4.120 -0.058 0.000 0.306 628 V C -1.817 174.261 176.094 -0.028 0.000 1.059 628 V CA -0.837 61.437 62.300 -0.043 0.000 1.138 628 V CB 0.473 32.289 31.823 -0.012 0.000 0.940 628 V HN 0.649 nan 8.190 nan 0.000 0.489 629 P HA 0.228 nan 4.420 nan 0.000 0.272 629 P C -0.243 177.015 177.300 -0.071 0.000 1.230 629 P CA -0.268 62.705 63.100 -0.212 0.000 0.788 629 P CB 0.086 31.578 31.700 -0.348 0.000 0.949 630 F N -1.280 118.686 119.950 0.027 0.000 2.943 630 F HA -0.201 4.291 4.527 -0.057 0.000 0.258 630 F C 0.444 176.240 175.800 -0.008 0.000 0.995 630 F CA 0.881 58.885 58.000 0.008 0.000 0.896 630 F CB -2.549 36.456 39.000 0.007 0.000 0.821 630 F HN 0.134 nan 8.300 nan 0.000 0.828 631 S N 1.199 116.942 115.700 0.071 0.000 2.496 631 S HA 0.465 4.901 4.470 -0.058 0.000 0.221 631 S C -2.219 172.349 174.600 -0.053 0.000 1.260 631 S CA -1.194 57.018 58.200 0.021 0.000 1.181 631 S CB 0.978 64.191 63.200 0.022 0.000 1.136 631 S HN 0.086 nan 8.310 nan 0.000 0.467 632 P HA 0.210 nan 4.420 nan 0.000 0.271 632 P C 0.317 177.508 177.300 -0.181 0.000 1.216 632 P CA -0.304 62.725 63.100 -0.117 0.000 0.776 632 P CB 0.875 32.506 31.700 -0.115 0.000 0.881 633 K N 0.934 121.191 120.400 -0.239 0.000 2.097 633 K HA -0.055 4.230 4.320 -0.058 0.000 0.205 633 K C 0.638 176.888 176.600 -0.584 0.000 1.050 633 K CA 1.032 57.028 56.287 -0.485 0.000 0.938 633 K CB -0.079 32.119 32.500 -0.502 0.000 0.718 633 K HN 0.636 nan 8.250 nan 0.000 0.442 634 H N 0.191 119.266 119.070 0.008 0.000 2.529 634 H HA 0.397 4.918 4.556 -0.058 0.000 0.348 634 H C -0.902 174.458 175.328 0.053 0.000 1.079 634 H CA -0.535 55.596 56.048 0.139 0.000 1.198 634 H CB 1.988 31.948 29.762 0.329 0.000 1.521 634 H HN -0.093 nan 8.280 nan 0.000 0.514 635 K N 1.634 122.088 120.400 0.089 0.000 2.557 635 K HA 0.537 4.822 4.320 -0.058 0.000 0.257 635 K C -1.084 175.332 176.600 -0.306 0.000 0.933 635 K CA -0.528 55.655 56.287 -0.173 0.000 0.820 635 K CB 2.511 34.887 32.500 -0.207 0.000 1.330 635 K HN 0.902 nan 8.250 nan 0.000 0.432 636 G N 0.517 108.791 108.800 -0.877 0.000 2.325 636 G HA2 0.432 4.357 3.960 -0.058 0.000 0.295 636 G HA3 0.432 4.357 3.960 -0.058 0.000 0.295 636 G C -1.409 172.863 174.900 -1.046 0.000 1.274 636 G CA -0.118 44.560 45.100 -0.703 0.000 0.857 636 G HN 0.750 nan 8.290 nan 0.000 0.499 637 T N -2.136 112.237 114.554 -0.302 0.000 2.868 637 T HA 0.782 5.097 4.350 -0.058 0.000 0.306 637 T C -0.836 173.964 174.700 0.166 0.000 1.224 637 T CA -0.347 61.721 62.100 -0.052 0.000 1.012 637 T CB 1.623 70.502 68.868 0.019 0.000 1.221 637 T HN 1.836 nan 8.240 nan 0.000 0.499 638 L N -1.147 120.106 121.223 0.050 0.000 2.434 638 L HA 1.034 5.339 4.340 -0.058 0.000 0.260 638 L C -0.297 176.342 176.870 -0.385 0.000 0.983 638 L CA -0.925 53.835 54.840 -0.135 0.000 0.820 638 L CB 1.807 43.851 42.059 -0.025 0.000 1.361 638 L HN 1.225 nan 8.230 nan 0.000 0.410 639 G N 0.304 108.598 108.800 -0.844 0.000 2.559 639 G HA2 0.561 4.487 3.960 -0.058 0.000 0.291 639 G HA3 0.561 4.487 3.960 -0.058 0.000 0.291 639 G C -2.245 172.363 174.900 -0.487 0.000 1.424 639 G CA -0.416 44.272 45.100 -0.686 0.000 0.786 639 G HN 0.837 nan 8.290 nan 0.000 0.485 640 V N 0.199 120.094 119.914 -0.032 0.000 2.686 640 V HA 0.691 4.776 4.120 -0.058 0.000 0.306 640 V C -1.707 174.541 176.094 0.257 0.000 1.065 640 V CA -0.869 61.502 62.300 0.120 0.000 0.894 640 V CB 2.079 33.960 31.823 0.098 0.000 1.004 640 V HN 0.698 nan 8.190 nan 0.000 0.424 641 D N 5.561 126.141 120.400 0.301 0.000 2.391 641 D HA 0.337 4.942 4.640 -0.058 0.000 0.245 641 D C -1.596 174.905 176.300 0.334 0.000 1.069 641 D CA 0.051 54.236 54.000 0.309 0.000 0.831 641 D CB 2.071 43.031 40.800 0.266 0.000 1.204 641 D HN 0.582 nan 8.370 nan 0.000 0.503 642 Y N 1.620 122.049 120.300 0.215 0.000 2.331 642 Y HA 0.303 4.818 4.550 -0.058 0.000 0.334 642 Y C -0.663 175.391 175.900 0.256 0.000 0.960 642 Y CA -0.938 57.289 58.100 0.213 0.000 1.130 642 Y CB 1.125 39.715 38.460 0.217 0.000 1.164 642 Y HN 0.114 nan 8.280 nan 0.000 0.458 643 K N 8.480 128.886 120.400 0.010 0.000 2.682 643 K HA 0.283 4.569 4.320 -0.058 0.000 0.189 643 K C -2.888 173.607 176.600 -0.176 0.000 1.062 643 K CA -1.743 54.484 56.287 -0.099 0.000 0.997 643 K CB 0.897 33.388 32.500 -0.016 0.000 1.405 643 K HN 0.418 nan 8.250 nan 0.000 0.588 644 P HA 0.037 nan 4.420 nan 0.000 0.282 644 P C 0.757 178.077 177.300 0.033 0.000 1.274 644 P CA 0.667 63.659 63.100 -0.180 0.000 0.770 644 P CB 1.435 32.944 31.700 -0.318 0.000 0.867 645 G N 5.686 114.503 108.800 0.029 0.000 2.634 645 G HA2 -0.359 3.566 3.960 -0.058 0.000 0.318 645 G HA3 -0.359 3.566 3.960 -0.058 0.000 0.318 645 G C 0.875 175.735 174.900 -0.066 0.000 1.207 645 G CA 0.323 45.441 45.100 0.029 0.000 0.987 645 G HN 0.570 nan 8.290 nan 0.000 0.547 646 N N 0.717 119.326 118.700 -0.152 0.000 2.280 646 N HA 0.144 4.850 4.740 -0.058 0.000 0.192 646 N C 0.095 175.238 175.510 -0.611 0.000 1.109 646 N CA 0.287 53.034 53.050 -0.504 0.000 0.855 646 N CB 0.219 38.154 38.487 -0.919 0.000 0.974 646 N HN 0.461 nan 8.380 nan 0.000 0.482 647 W N 0.972 122.104 121.300 -0.280 0.000 2.283 647 W HA 0.370 4.995 4.660 -0.058 0.000 0.341 647 W C 0.254 176.536 176.519 -0.394 0.000 1.206 647 W CA -0.105 57.053 57.345 -0.312 0.000 1.294 647 W CB 0.896 30.209 29.460 -0.245 0.000 1.154 647 W HN -0.341 nan 8.180 nan 0.000 0.613 648 T N 2.575 116.968 114.554 -0.268 0.000 3.011 648 T HA 0.429 4.744 4.350 -0.058 0.000 0.303 648 T C -1.527 172.965 174.700 -0.347 0.000 0.997 648 T CA -0.648 61.330 62.100 -0.205 0.000 1.007 648 T CB 0.294 69.098 68.868 -0.107 0.000 1.017 648 T HN -0.011 nan 8.240 nan 0.000 0.443 649 F N 2.521 122.569 119.950 0.165 0.000 2.467 649 F HA 0.536 5.029 4.527 -0.058 0.000 0.336 649 F C 0.547 176.469 175.800 0.204 0.000 1.123 649 F CA -0.885 57.234 58.000 0.198 0.000 0.964 649 F CB 1.522 40.660 39.000 0.230 0.000 1.136 649 F HN 0.422 nan 8.300 nan 0.000 0.447 650 N N 2.888 121.790 118.700 0.337 0.000 2.269 650 N HA 0.726 5.431 4.740 -0.058 0.000 0.304 650 N C -1.924 173.754 175.510 0.281 0.000 1.072 650 N CA -0.763 52.463 53.050 0.293 0.000 0.802 650 N CB 2.452 41.087 38.487 0.247 0.000 1.348 650 N HN 0.401 nan 8.380 nan 0.000 0.484 651 L N 2.017 123.406 121.223 0.277 0.000 2.436 651 L HA 0.612 4.917 4.340 -0.058 0.000 0.268 651 L C -1.664 175.373 176.870 0.278 0.000 0.974 651 L CA -0.382 54.626 54.840 0.281 0.000 0.826 651 L CB 1.612 43.825 42.059 0.256 0.000 1.291 651 L HN 0.885 nan 8.230 nan 0.000 0.406 652 N N 1.652 120.533 118.700 0.301 0.000 2.484 652 N HA 0.726 5.432 4.740 -0.058 0.000 0.269 652 N C -1.798 173.730 175.510 0.031 0.000 1.237 652 N CA -0.748 52.405 53.050 0.172 0.000 0.838 652 N CB 2.049 40.660 38.487 0.208 0.000 1.593 652 N HN 0.433 nan 8.380 nan 0.000 0.485 653 S N 0.045 115.615 115.700 -0.217 0.000 2.536 653 S HA 0.498 4.933 4.470 -0.058 0.000 0.287 653 S C -1.971 172.502 174.600 -0.210 0.000 1.101 653 S CA -0.728 57.158 58.200 -0.523 0.000 0.950 653 S CB 0.801 63.275 63.200 -1.210 0.000 1.056 653 S HN 0.562 nan 8.310 nan 0.000 0.481 654 D N 3.210 123.507 120.400 -0.171 0.000 2.498 654 D HA 0.614 5.219 4.640 -0.058 0.000 0.247 654 D C -0.917 175.328 176.300 -0.091 0.000 1.070 654 D CA -0.037 53.870 54.000 -0.154 0.000 0.842 654 D CB 1.615 42.379 40.800 -0.059 0.000 1.361 654 D HN 0.493 nan 8.370 nan 0.000 0.484 655 F N -0.517 119.323 119.950 -0.183 0.000 2.631 655 F HA 0.569 5.061 4.527 -0.058 0.000 0.308 655 F C -1.282 174.304 175.800 -0.358 0.000 1.097 655 F CA -1.033 56.792 58.000 -0.291 0.000 0.952 655 F CB 1.506 40.378 39.000 -0.214 0.000 1.307 655 F HN 0.230 nan 8.300 nan 0.000 0.450 656 Q N 0.825 120.393 119.800 -0.388 0.000 2.527 656 Q HA 0.604 4.909 4.340 -0.058 0.000 0.280 656 Q C -1.520 174.313 176.000 -0.278 0.000 0.977 656 Q CA -0.943 54.662 55.803 -0.331 0.000 0.837 656 Q CB 1.964 30.403 28.738 -0.499 0.000 1.454 656 Q HN 0.960 nan 8.270 nan 0.000 0.387 657 S N 0.929 116.581 115.700 -0.079 0.000 2.632 657 S HA 0.567 5.002 4.470 -0.058 0.000 0.267 657 S C 0.495 175.017 174.600 -0.129 0.000 1.193 657 S CA -0.049 58.124 58.200 -0.046 0.000 1.003 657 S CB 0.738 64.008 63.200 0.117 0.000 1.073 657 S HN 0.924 nan 8.310 nan 0.000 0.553 658 S N -0.124 115.505 115.700 -0.119 0.000 2.617 658 S HA 0.460 4.895 4.470 -0.058 0.000 0.259 658 S C -0.307 174.160 174.600 -0.221 0.000 1.301 658 S CA -0.696 57.398 58.200 -0.176 0.000 0.984 658 S CB -0.145 62.930 63.200 -0.209 0.000 0.954 658 S HN 0.987 nan 8.310 nan 0.000 0.572 659 Q N -0.628 119.006 119.800 -0.276 0.000 2.534 659 Q HA 0.616 4.921 4.340 -0.058 0.000 0.290 659 Q C -1.845 173.904 176.000 -0.419 0.000 0.991 659 Q CA -0.914 54.717 55.803 -0.287 0.000 0.783 659 Q CB 0.710 29.384 28.738 -0.107 0.000 1.470 659 Q HN 0.551 nan 8.270 nan 0.000 0.406 660 F N -0.081 119.741 119.950 -0.213 0.000 2.450 660 F HA 0.664 5.157 4.527 -0.058 0.000 0.328 660 F C 0.825 176.297 175.800 -0.547 0.000 1.068 660 F CA -0.190 57.645 58.000 -0.275 0.000 1.007 660 F CB 1.842 40.697 39.000 -0.242 0.000 1.251 660 F HN 0.883 nan 8.300 nan 0.000 0.492 661 A N -0.080 122.557 122.820 -0.305 0.000 2.288 661 A HA 0.231 4.516 4.320 -0.058 0.000 0.216 661 A C -0.328 176.822 177.584 -0.723 0.000 1.199 661 A CA 0.304 51.930 52.037 -0.685 0.000 0.891 661 A CB -0.440 18.472 19.000 -0.146 0.000 0.923 661 A HN 0.673 nan 8.150 nan 0.000 0.500 662 D N -2.676 117.365 120.400 -0.599 0.000 2.559 662 D HA 0.172 4.777 4.640 -0.058 0.000 0.250 662 D C -0.185 175.866 176.300 -0.415 0.000 1.135 662 D CA -0.801 52.756 54.000 -0.738 0.000 0.955 662 D CB 0.138 40.312 40.800 -1.044 0.000 1.442 662 D HN -0.171 nan 8.370 nan 0.000 0.471 663 N N -0.094 118.419 118.700 -0.312 0.000 2.223 663 N HA -0.080 4.625 4.740 -0.058 0.000 0.185 663 N C 1.507 176.880 175.510 -0.229 0.000 1.016 663 N CA 1.401 54.327 53.050 -0.207 0.000 0.863 663 N CB -0.266 38.151 38.487 -0.117 0.000 0.983 663 N HN 0.635 nan 8.380 nan 0.000 0.429 664 A N 0.635 123.317 122.820 -0.230 0.000 2.209 664 A HA -0.011 4.275 4.320 -0.058 0.000 0.212 664 A C 0.384 177.767 177.584 -0.335 0.000 1.158 664 A CA 0.096 52.005 52.037 -0.214 0.000 0.742 664 A CB -0.672 18.246 19.000 -0.136 0.000 0.790 664 A HN 0.478 nan 8.150 nan 0.000 0.472 665 N N 0.453 118.869 118.700 -0.473 0.000 2.725 665 N HA -0.152 4.553 4.740 -0.058 0.000 0.251 665 N C 0.024 175.172 175.510 -0.604 0.000 1.031 665 N CA 0.493 52.984 53.050 -0.931 0.000 0.720 665 N CB -1.427 36.196 38.487 -1.440 0.000 0.930 665 N HN 0.698 nan 8.380 nan 0.000 0.543 666 T N -2.675 111.752 114.554 -0.211 0.000 2.870 666 T HA 0.316 4.632 4.350 -0.058 0.000 0.300 666 T C 1.372 176.155 174.700 0.138 0.000 0.989 666 T CA -0.705 61.370 62.100 -0.042 0.000 1.139 666 T CB 1.621 70.486 68.868 -0.005 0.000 0.920 666 T HN 0.031 nan 8.240 nan 0.000 0.537 667 V N 2.341 122.353 119.914 0.164 0.000 2.407 667 V HA 0.109 4.195 4.120 -0.058 0.000 0.245 667 V C 1.526 177.705 176.094 0.143 0.000 1.041 667 V CA 1.072 63.510 62.300 0.230 0.000 1.040 667 V CB -0.594 31.342 31.823 0.187 0.000 0.671 667 V HN 0.749 nan 8.190 nan 0.000 0.455 668 K N 1.641 122.101 120.400 0.101 0.000 2.322 668 K HA 0.113 4.398 4.320 -0.058 0.000 0.283 668 K C 0.191 176.841 176.600 0.083 0.000 1.042 668 K CA 0.134 56.470 56.287 0.081 0.000 0.958 668 K CB 0.323 32.859 32.500 0.060 0.000 0.984 668 K HN 0.413 nan 8.250 nan 0.000 0.473 669 E N 2.216 122.463 120.200 0.079 0.000 2.384 669 E HA 0.036 4.352 4.350 -0.058 0.000 0.266 669 E C -0.627 176.005 176.600 0.053 0.000 1.012 669 E CA -0.228 56.214 56.400 0.069 0.000 0.901 669 E CB 0.545 30.273 29.700 0.047 0.000 0.967 669 E HN 0.696 nan 8.360 nan 0.000 0.435 670 S N 2.927 118.662 115.700 0.058 0.000 2.632 670 S HA 0.377 4.812 4.470 -0.058 0.000 0.267 670 S C 1.037 175.652 174.600 0.025 0.000 1.276 670 S CA -0.262 57.967 58.200 0.049 0.000 0.998 670 S CB 1.730 64.972 63.200 0.070 0.000 0.953 670 S HN 0.636 nan 8.310 nan 0.000 0.547 671 A N 1.198 124.030 122.820 0.020 0.000 1.933 671 A HA -0.107 4.179 4.320 -0.058 0.000 0.218 671 A C 1.620 179.203 177.584 -0.001 0.000 1.175 671 A CA 1.725 53.767 52.037 0.007 0.000 0.628 671 A CB -1.214 17.792 19.000 0.010 0.000 0.814 671 A HN 0.983 nan 8.150 nan 0.000 0.444 672 D N -1.828 118.576 120.400 0.007 0.000 2.363 672 D HA 0.247 4.853 4.640 -0.058 0.000 0.226 672 D C 1.199 177.496 176.300 -0.004 0.000 1.020 672 D CA 0.855 54.856 54.000 0.002 0.000 0.892 672 D CB -0.839 39.966 40.800 0.008 0.000 0.900 672 D HN 0.726 nan 8.370 nan 0.000 0.531 673 G N 0.245 109.039 108.800 -0.010 0.000 2.180 673 G HA2 -0.391 3.534 3.960 -0.058 0.000 0.263 673 G HA3 -0.391 3.534 3.960 -0.058 0.000 0.263 673 G C 1.207 176.137 174.900 0.050 0.000 0.989 673 G CA 1.127 46.205 45.100 -0.036 0.000 0.692 673 G HN 0.689 nan 8.290 nan 0.000 0.526 674 S N -1.305 114.457 115.700 0.102 0.000 2.436 674 S HA 0.292 4.728 4.470 -0.058 0.000 0.228 674 S C 1.181 175.975 174.600 0.322 0.000 1.014 674 S CA 1.640 59.955 58.200 0.192 0.000 0.950 674 S CB 0.159 63.426 63.200 0.112 0.000 0.784 674 S HN 1.849 nan 8.310 nan 0.000 0.504 675 T N -1.703 113.007 114.554 0.260 0.000 2.916 675 T HA 0.677 4.992 4.350 -0.058 0.000 0.292 675 T C -0.126 174.671 174.700 0.163 0.000 1.064 675 T CA 0.005 62.255 62.100 0.250 0.000 1.011 675 T CB 1.447 70.483 68.868 0.279 0.000 1.152 675 T HN 1.447 nan 8.240 nan 0.000 0.510 676 G N 1.082 109.968 108.800 0.143 0.000 2.375 676 G HA2 0.187 4.112 3.960 -0.058 0.000 0.663 676 G HA3 0.187 4.112 3.960 -0.058 0.000 0.663 676 G C -0.802 174.192 174.900 0.157 0.000 1.391 676 G CA -0.703 44.488 45.100 0.151 0.000 0.949 676 G HN 0.942 nan 8.290 nan 0.000 0.646 677 R N -0.027 120.554 120.500 0.135 0.000 2.537 677 R HA 0.236 4.541 4.340 -0.058 0.000 0.281 677 R C 0.026 176.343 176.300 0.027 0.000 0.988 677 R CA 0.278 56.375 56.100 -0.005 0.000 1.077 677 R CB -0.044 30.233 30.300 -0.038 0.000 0.932 677 R HN 0.408 nan 8.270 nan 0.000 0.409 678 I N 8.325 128.844 120.570 -0.084 0.000 2.330 678 I HA 0.264 4.399 4.170 -0.058 0.000 0.286 678 I C -1.989 174.019 176.117 -0.181 0.000 1.025 678 I CA -2.684 58.554 61.300 -0.103 0.000 1.197 678 I CB 1.725 39.711 38.000 -0.024 0.000 1.358 678 I HN 0.506 nan 8.210 nan 0.000 0.467 679 P HA 0.015 nan 4.420 nan 0.000 0.268 679 P C 0.346 177.612 177.300 -0.057 0.000 1.208 679 P CA 0.008 63.035 63.100 -0.122 0.000 0.777 679 P CB 0.612 32.258 31.700 -0.091 0.000 0.875 680 G N 0.791 109.557 108.800 -0.056 0.000 2.543 680 G HA2 0.664 4.589 3.960 -0.058 0.000 0.290 680 G HA3 0.664 4.589 3.960 -0.058 0.000 0.290 680 G C -1.021 173.874 174.900 -0.010 0.000 1.310 680 G CA -0.413 44.601 45.100 -0.143 0.000 1.025 680 G HN 0.549 nan 8.290 nan 0.000 0.502 681 F N -3.727 116.180 119.950 -0.071 0.000 2.858 681 F HA 0.692 5.186 4.527 -0.056 0.000 0.319 681 F C -0.971 174.789 175.800 -0.066 0.000 1.166 681 F CA -1.633 56.309 58.000 -0.096 0.000 0.899 681 F CB 1.978 40.836 39.000 -0.237 0.000 1.332 681 F HN 0.612 nan 8.300 nan 0.000 0.461 682 M N 3.066 122.812 119.600 0.242 0.000 2.149 682 M HA 0.635 5.080 4.480 -0.058 0.000 0.273 682 M C -2.410 173.964 176.300 0.124 0.000 0.972 682 M CA -0.503 54.877 55.300 0.134 0.000 0.984 682 M CB 1.314 33.945 32.600 0.052 0.000 1.699 682 M HN 0.626 nan 8.290 nan 0.000 0.462 683 L N 4.241 125.491 121.223 0.045 0.000 2.334 683 L HA 0.711 5.016 4.340 -0.058 0.000 0.270 683 L C -1.372 175.432 176.870 -0.109 0.000 1.018 683 L CA -0.072 54.802 54.840 0.056 0.000 0.811 683 L CB 1.581 43.653 42.059 0.020 0.000 1.271 683 L HN 0.723 nan 8.230 nan 0.000 0.443 684 W N 0.106 121.539 121.300 0.222 0.000 2.819 684 W HA 0.722 5.347 4.660 -0.058 0.000 0.337 684 W C 0.178 176.754 176.519 0.095 0.000 1.077 684 W CA -0.549 56.914 57.345 0.196 0.000 1.226 684 W CB 2.297 31.956 29.460 0.332 0.000 1.419 684 W HN 0.604 nan 8.180 nan 0.000 0.502 685 G N 0.315 109.319 108.800 0.339 0.000 2.619 685 G HA2 0.878 4.804 3.960 -0.058 0.000 0.296 685 G HA3 0.878 4.804 3.960 -0.058 0.000 0.296 685 G C -1.880 173.156 174.900 0.226 0.000 1.334 685 G CA -0.711 44.521 45.100 0.220 0.000 0.934 685 G HN 0.763 nan 8.290 nan 0.000 0.476 686 A N 0.367 123.282 122.820 0.158 0.000 2.609 686 A HA 0.971 5.256 4.320 -0.058 0.000 0.291 686 A C -0.730 176.919 177.584 0.109 0.000 1.096 686 A CA -0.727 51.404 52.037 0.158 0.000 0.684 686 A CB 2.208 21.284 19.000 0.127 0.000 1.282 686 A HN 0.969 nan 8.150 nan 0.000 0.412 687 R N -0.212 120.382 120.500 0.157 0.000 2.629 687 R HA 0.581 4.887 4.340 -0.058 0.000 0.266 687 R C -2.505 173.903 176.300 0.179 0.000 1.051 687 R CA -0.408 55.759 56.100 0.111 0.000 0.895 687 R CB 2.142 32.539 30.300 0.161 0.000 1.246 687 R HN 1.118 nan 8.270 nan 0.000 0.459 688 V N 2.984 122.993 119.914 0.159 0.000 2.483 688 V HA 0.902 4.988 4.120 -0.058 0.000 0.297 688 V C -1.295 174.845 176.094 0.077 0.000 1.027 688 V CA -0.088 62.287 62.300 0.125 0.000 0.855 688 V CB 1.396 33.401 31.823 0.303 0.000 0.995 688 V HN 0.923 nan 8.190 nan 0.000 0.424 689 A N 5.734 128.530 122.820 -0.040 0.000 2.469 689 A HA 0.914 5.199 4.320 -0.058 0.000 0.299 689 A C -1.982 175.524 177.584 -0.130 0.000 1.098 689 A CA -0.649 51.370 52.037 -0.029 0.000 0.737 689 A CB 1.924 20.910 19.000 -0.022 0.000 1.312 689 A HN 1.299 nan 8.150 nan 0.000 0.414 690 Y N 0.716 120.806 120.300 -0.350 0.000 2.421 690 Y HA 0.491 5.006 4.550 -0.058 0.000 0.339 690 Y C -1.224 174.371 175.900 -0.508 0.000 0.996 690 Y CA -0.775 56.928 58.100 -0.663 0.000 1.046 690 Y CB 1.886 39.714 38.460 -1.052 0.000 1.226 690 Y HN 0.688 nan 8.280 nan 0.000 0.445 691 D N 4.843 124.621 120.400 -1.037 0.000 2.329 691 D HA 0.145 4.751 4.640 -0.058 0.000 0.232 691 D C 0.044 175.845 176.300 -0.831 0.000 1.088 691 D CA -0.048 53.571 54.000 -0.636 0.000 0.835 691 D CB 0.699 41.222 40.800 -0.462 0.000 1.078 691 D HN 0.561 nan 8.370 nan 0.000 0.495 692 F N 2.499 122.269 119.950 -0.299 0.000 2.293 692 F HA 0.203 4.695 4.527 -0.058 0.000 0.297 692 F C 1.866 177.582 175.800 -0.139 0.000 1.089 692 F CA 1.239 59.160 58.000 -0.131 0.000 1.377 692 F CB -0.036 38.964 39.000 -0.000 0.000 1.051 692 F HN 0.632 nan 8.300 nan 0.000 0.511 693 G N -0.634 108.165 108.800 -0.001 0.000 2.479 693 G HA2 -0.039 3.887 3.960 -0.058 0.000 0.686 693 G HA3 -0.039 3.887 3.960 -0.058 0.000 0.686 693 G C -3.080 171.810 174.900 -0.017 0.000 1.295 693 G CA -1.440 43.639 45.100 -0.035 0.000 0.922 693 G HN -0.181 nan 8.290 nan 0.000 0.582 694 P HA 0.552 nan 4.420 nan 0.000 0.273 694 P C 0.571 177.872 177.300 0.003 0.000 1.428 694 P CA 1.761 64.850 63.100 -0.018 0.000 0.995 694 P CB 0.599 32.287 31.700 -0.019 0.000 1.286 695 Q N 1.073 120.877 119.800 0.007 0.000 7.794 695 Q HA 0.058 4.363 4.340 -0.058 0.000 0.364 695 Q C 1.250 177.265 176.000 0.025 0.000 0.933 695 Q CA 0.525 56.343 55.803 0.024 0.000 0.560 695 Q CB -1.240 27.514 28.738 0.027 0.000 0.260 695 Q HN 0.308 nan 8.270 nan 0.000 0.882 696 M N 0.616 120.223 119.600 0.011 0.000 2.866 696 M HA 0.864 5.309 4.480 -0.058 0.000 0.231 696 M C 1.394 177.658 176.300 -0.060 0.000 1.302 696 M CA 0.939 56.233 55.300 -0.010 0.000 1.083 696 M CB -1.348 31.232 32.600 -0.033 0.000 1.499 696 M HN 2.456 nan 8.290 nan 0.000 0.451 697 A N 0.381 123.153 122.820 -0.080 0.000 2.734 697 A HA -0.046 4.239 4.320 -0.058 0.000 0.296 697 A C 0.672 178.092 177.584 -0.273 0.000 1.474 697 A CA 0.817 52.694 52.037 -0.267 0.000 0.735 697 A CB -2.654 16.026 19.000 -0.533 0.000 1.062 697 A HN 1.967 nan 8.150 nan 0.000 0.463 698 D N -1.600 118.712 120.400 -0.147 0.000 2.730 698 D HA -0.188 4.417 4.640 -0.058 0.000 0.227 698 D C 0.263 176.502 176.300 -0.101 0.000 1.196 698 D CA 1.360 55.292 54.000 -0.115 0.000 0.620 698 D CB -0.732 39.985 40.800 -0.138 0.000 1.012 698 D HN 1.237 nan 8.370 nan 0.000 0.411 699 L N 1.153 122.346 121.223 -0.049 0.000 2.462 699 L HA 0.200 4.505 4.340 -0.058 0.000 0.272 699 L C -0.070 176.888 176.870 0.148 0.000 1.166 699 L CA 0.688 55.520 54.840 -0.013 0.000 0.880 699 L CB 0.347 42.335 42.059 -0.119 0.000 1.142 699 L HN 0.135 nan 8.230 nan 0.000 0.473 700 N N 6.319 125.067 118.700 0.080 0.000 2.407 700 N HA 0.427 5.132 4.740 -0.058 0.000 0.277 700 N C -1.032 174.557 175.510 0.132 0.000 0.995 700 N CA -0.420 52.686 53.050 0.094 0.000 0.903 700 N CB 2.564 41.056 38.487 0.009 0.000 1.218 700 N HN 0.620 nan 8.380 nan 0.000 0.487 701 L N 1.613 122.955 121.223 0.199 0.000 2.354 701 L HA 0.868 5.173 4.340 -0.058 0.000 0.269 701 L C -0.852 176.106 176.870 0.146 0.000 1.005 701 L CA -0.554 54.402 54.840 0.193 0.000 0.819 701 L CB 1.788 44.026 42.059 0.300 0.000 1.311 701 L HN 0.618 nan 8.230 nan 0.000 0.423 702 A N 2.877 125.791 122.820 0.156 0.000 2.605 702 A HA 0.676 4.962 4.320 -0.058 0.000 0.294 702 A C -2.150 175.552 177.584 0.196 0.000 1.062 702 A CA -0.394 51.737 52.037 0.157 0.000 0.682 702 A CB 1.561 20.645 19.000 0.139 0.000 1.278 702 A HN 0.524 nan 8.150 nan 0.000 0.410 703 F N 0.865 120.805 119.950 -0.017 0.000 2.561 703 F HA 0.762 5.254 4.527 -0.058 0.000 0.313 703 F C 0.146 175.761 175.800 -0.309 0.000 1.126 703 F CA 0.412 58.330 58.000 -0.137 0.000 0.918 703 F CB 2.005 40.966 39.000 -0.064 0.000 1.199 703 F HN 1.117 nan 8.300 nan 0.000 0.444 704 G N 3.062 110.863 108.800 -1.665 0.000 2.727 704 G HA2 0.668 4.594 3.960 -0.058 0.000 0.289 704 G HA3 0.668 4.594 3.960 -0.058 0.000 0.289 704 G C -2.413 171.589 174.900 -1.497 0.000 1.418 704 G CA -0.926 43.271 45.100 -1.506 0.000 0.818 704 G HN 0.679 nan 8.290 nan 0.000 0.486 705 V N 0.060 119.614 119.914 -0.600 0.000 2.808 705 V HA 0.529 4.614 4.120 -0.058 0.000 0.308 705 V C -0.620 175.517 176.094 0.072 0.000 1.099 705 V CA -0.976 61.184 62.300 -0.234 0.000 0.920 705 V CB 2.069 33.795 31.823 -0.162 0.000 1.014 705 V HN 0.723 nan 8.190 nan 0.000 0.425 706 K N 2.523 123.000 120.400 0.129 0.000 2.207 706 K HA 0.499 4.784 4.320 -0.058 0.000 0.255 706 K C 0.101 176.743 176.600 0.070 0.000 0.941 706 K CA -0.796 55.567 56.287 0.127 0.000 0.825 706 K CB 0.960 33.527 32.500 0.111 0.000 1.119 706 K HN 0.676 nan 8.250 nan 0.000 0.430 707 N N 2.554 121.308 118.700 0.089 0.000 2.708 707 N HA -0.204 4.501 4.740 -0.058 0.000 0.255 707 N C 0.319 175.873 175.510 0.073 0.000 1.046 707 N CA 0.269 53.385 53.050 0.109 0.000 0.715 707 N CB -1.153 37.384 38.487 0.084 0.000 0.895 707 N HN 0.762 nan 8.380 nan 0.000 0.545 708 I N -0.464 120.110 120.570 0.006 0.000 2.113 708 I HA -0.370 3.766 4.170 -0.058 0.000 0.242 708 I C 1.445 177.392 176.117 -0.283 0.000 1.057 708 I CA 1.842 63.010 61.300 -0.220 0.000 1.314 708 I CB -0.404 37.312 38.000 -0.474 0.000 1.022 708 I HN 0.214 nan 8.210 nan 0.000 0.408 709 F N 0.705 120.741 119.950 0.144 0.000 2.816 709 F HA -0.004 4.488 4.527 -0.058 0.000 0.302 709 F C 0.871 176.740 175.800 0.116 0.000 1.178 709 F CA 0.373 58.444 58.000 0.118 0.000 1.421 709 F CB -1.113 37.969 39.000 0.136 0.000 1.114 709 F HN 0.117 nan 8.300 nan 0.000 0.573 710 D N 1.351 121.871 120.400 0.200 0.000 2.686 710 D HA -0.273 4.332 4.640 -0.058 0.000 0.235 710 D C 0.264 176.691 176.300 0.211 0.000 1.160 710 D CA 0.383 54.486 54.000 0.171 0.000 0.645 710 D CB -0.756 40.128 40.800 0.140 0.000 1.039 710 D HN 0.377 nan 8.370 nan 0.000 0.423 711 Q N 0.903 120.854 119.800 0.251 0.000 2.297 711 Q HA 0.250 4.556 4.340 -0.058 0.000 0.267 711 Q C -0.820 175.335 176.000 0.258 0.000 1.006 711 Q CA -0.058 55.893 55.803 0.246 0.000 0.896 711 Q CB 0.733 29.621 28.738 0.251 0.000 1.186 711 Q HN 0.166 nan 8.270 nan 0.000 0.392 712 D N 3.736 124.273 120.400 0.228 0.000 2.304 712 D HA 0.325 4.930 4.640 -0.058 0.000 0.250 712 D C -0.818 175.663 176.300 0.302 0.000 1.107 712 D CA 0.430 54.560 54.000 0.217 0.000 0.885 712 D CB 0.362 41.269 40.800 0.178 0.000 1.192 712 D HN 0.541 nan 8.370 nan 0.000 0.436 713 Y N -0.027 120.298 120.300 0.041 0.000 2.750 713 Y HA 0.687 5.204 4.550 -0.054 0.000 0.335 713 Y C -1.696 174.271 175.900 0.111 0.000 1.252 713 Y CA -1.733 56.344 58.100 -0.037 0.000 1.064 713 Y CB 0.775 39.045 38.460 -0.317 0.000 1.321 713 Y HN 0.285 nan 8.280 nan 0.000 0.451 714 F N 0.182 120.169 119.950 0.061 0.000 2.741 714 F HA 0.799 5.292 4.527 -0.057 0.000 0.311 714 F C -2.033 173.864 175.800 0.161 0.000 1.149 714 F CA -1.530 56.471 58.000 0.002 0.000 0.930 714 F CB 1.229 40.189 39.000 -0.066 0.000 1.312 714 F HN 0.835 nan 8.300 nan 0.000 0.450 715 I N 0.923 121.753 120.570 0.435 0.000 3.294 715 I HA 0.718 4.853 4.170 -0.058 0.000 0.311 715 I C -1.181 175.227 176.117 0.486 0.000 1.111 715 I CA -1.201 60.320 61.300 0.367 0.000 0.976 715 I CB 2.447 40.584 38.000 0.228 0.000 1.260 715 I HN 0.851 nan 8.210 nan 0.000 0.474 716 R N 1.289 122.037 120.500 0.413 0.000 2.837 716 R HA 0.478 4.783 4.340 -0.058 0.000 0.271 716 R C -1.456 175.008 176.300 0.273 0.000 0.993 716 R CA -0.772 55.575 56.100 0.412 0.000 0.931 716 R CB 1.947 32.511 30.300 0.440 0.000 1.206 716 R HN 0.539 nan 8.270 nan 0.000 0.474 717 S N 0.458 116.320 115.700 0.270 0.000 2.478 717 S HA 0.218 4.654 4.470 -0.058 0.000 0.312 717 S C -0.488 174.309 174.600 0.328 0.000 1.094 717 S CA -0.545 57.749 58.200 0.158 0.000 1.081 717 S CB 0.921 64.182 63.200 0.102 0.000 1.007 717 S HN 0.697 nan 8.310 nan 0.000 0.475 718 Y N 3.885 124.338 120.300 0.255 0.000 2.314 718 Y HA 0.288 4.804 4.550 -0.057 0.000 0.294 718 Y C 1.596 177.582 175.900 0.143 0.000 1.139 718 Y CA 1.265 59.498 58.100 0.223 0.000 1.162 718 Y CB 0.053 38.677 38.460 0.274 0.000 1.121 718 Y HN 0.668 nan 8.280 nan 0.000 0.529 719 D N -0.075 120.320 120.400 -0.009 0.000 2.301 719 D HA -0.011 4.595 4.640 -0.058 0.000 0.206 719 D C -0.201 176.063 176.300 -0.059 0.000 0.979 719 D CA 0.508 54.429 54.000 -0.133 0.000 0.874 719 D CB -0.003 40.832 40.800 0.057 0.000 0.968 719 D HN 0.356 nan 8.370 nan 0.000 0.510 720 D N 0.606 121.008 120.400 0.004 0.000 2.358 720 D HA 0.048 4.654 4.640 -0.058 0.000 0.244 720 D C 1.310 177.627 176.300 0.028 0.000 1.163 720 D CA -0.227 53.785 54.000 0.020 0.000 0.945 720 D CB 0.681 41.501 40.800 0.034 0.000 1.152 720 D HN -0.072 nan 8.370 nan 0.000 0.451 721 N N 0.854 119.579 118.700 0.041 0.000 2.348 721 N HA -0.146 4.559 4.740 -0.058 0.000 0.185 721 N C 0.666 176.217 175.510 0.069 0.000 1.019 721 N CA 0.770 53.849 53.050 0.049 0.000 0.880 721 N CB -0.092 38.432 38.487 0.062 0.000 0.965 721 N HN 0.454 nan 8.380 nan 0.000 0.437 722 N N 1.114 119.873 118.700 0.099 0.000 2.380 722 N HA -0.018 4.687 4.740 -0.058 0.000 0.255 722 N C -0.101 175.504 175.510 0.159 0.000 1.158 722 N CA -0.214 52.907 53.050 0.118 0.000 0.878 722 N CB -0.091 38.487 38.487 0.152 0.000 1.138 722 N HN 0.241 nan 8.380 nan 0.000 0.509 723 K N -0.454 120.024 120.400 0.130 0.000 2.344 723 K HA 0.469 4.754 4.320 -0.058 0.000 0.260 723 K C 0.488 177.179 176.600 0.152 0.000 0.988 723 K CA 0.107 56.496 56.287 0.170 0.000 0.909 723 K CB 0.259 32.804 32.500 0.075 0.000 0.968 723 K HN 0.185 nan 8.250 nan 0.000 0.505 724 G N 0.511 109.439 108.800 0.213 0.000 2.278 724 G HA2 0.051 3.976 3.960 -0.058 0.000 0.265 724 G HA3 0.051 3.976 3.960 -0.058 0.000 0.265 724 G C -1.140 173.854 174.900 0.156 0.000 1.329 724 G CA -0.769 44.393 45.100 0.102 0.000 1.017 724 G HN 0.591 nan 8.290 nan 0.000 0.472 725 I N 0.397 120.929 120.570 -0.063 0.000 2.440 725 I HA 0.509 4.645 4.170 -0.058 0.000 0.294 725 I C -0.872 175.206 176.117 -0.066 0.000 0.995 725 I CA -0.572 60.638 61.300 -0.149 0.000 1.306 725 I CB 1.249 38.811 38.000 -0.731 0.000 1.407 725 I HN 0.380 nan 8.210 nan 0.000 0.501 726 Y N 4.186 124.500 120.300 0.023 0.000 2.363 726 Y HA 0.512 5.030 4.550 -0.053 0.000 0.325 726 Y C 0.466 176.509 175.900 0.238 0.000 0.984 726 Y CA -1.006 57.182 58.100 0.146 0.000 1.248 726 Y CB 1.527 40.077 38.460 0.150 0.000 1.116 726 Y HN 0.617 nan 8.280 nan 0.000 0.470 727 A N 2.428 125.510 122.820 0.437 0.000 2.567 727 A HA 0.416 4.701 4.320 -0.058 0.000 0.240 727 A C 1.009 178.766 177.584 0.288 0.000 1.053 727 A CA 0.564 52.837 52.037 0.392 0.000 0.755 727 A CB -0.192 18.970 19.000 0.269 0.000 0.978 727 A HN 0.904 nan 8.150 nan 0.000 0.507 728 G N 0.725 109.341 108.800 -0.306 0.000 2.634 728 G HA2 0.406 4.331 3.960 -0.058 0.000 0.255 728 G HA3 0.406 4.331 3.960 -0.058 0.000 0.255 728 G C 0.177 174.491 174.900 -0.977 0.000 1.205 728 G CA -0.424 44.056 45.100 -1.033 0.000 0.884 728 G HN 0.968 nan 8.290 nan 0.000 0.549 729 Q N 0.849 119.998 119.800 -1.085 0.000 2.271 729 Q HA 0.151 4.457 4.340 -0.058 0.000 0.273 729 Q C -1.882 173.739 176.000 -0.632 0.000 1.051 729 Q CA -1.161 53.745 55.803 -1.495 0.000 0.901 729 Q CB 0.988 29.087 28.738 -1.064 0.000 1.174 729 Q HN 0.308 nan 8.270 nan 0.000 0.385 730 P HA 0.109 nan 4.420 nan 0.000 0.297 730 P C -1.104 176.151 177.300 -0.074 0.000 1.307 730 P CA -0.576 62.463 63.100 -0.101 0.000 0.773 730 P CB 0.572 32.334 31.700 0.104 0.000 1.265 731 R N -0.082 120.422 120.500 0.008 0.000 2.485 731 R HA 0.103 4.408 4.340 -0.058 0.000 0.304 731 R C -0.699 175.595 176.300 -0.010 0.000 0.934 731 R CA 0.952 57.057 56.100 0.008 0.000 1.102 731 R CB -0.724 29.589 30.300 0.022 0.000 0.906 731 R HN 0.409 nan 8.270 nan 0.000 0.407 732 T N 6.305 120.864 114.554 0.008 0.000 2.881 732 T HA 0.372 4.688 4.350 -0.058 0.000 0.290 732 T C -0.442 174.288 174.700 0.051 0.000 1.000 732 T CA -0.676 61.447 62.100 0.039 0.000 0.978 732 T CB 1.097 70.001 68.868 0.061 0.000 0.997 732 T HN 0.422 nan 8.240 nan 0.000 0.443 733 L N 4.033 125.274 121.223 0.030 0.000 2.322 733 L HA 0.760 5.065 4.340 -0.058 0.000 0.279 733 L C -0.696 176.173 176.870 -0.001 0.000 1.036 733 L CA -1.187 53.597 54.840 -0.093 0.000 0.807 733 L CB 0.816 42.887 42.059 0.020 0.000 1.226 733 L HN 0.762 nan 8.230 nan 0.000 0.433 734 Y N 1.271 121.415 120.300 -0.261 0.000 2.597 734 Y HA 0.802 5.317 4.550 -0.059 0.000 0.340 734 Y C -0.719 175.114 175.900 -0.113 0.000 1.097 734 Y CA -1.737 56.289 58.100 -0.122 0.000 1.037 734 Y CB 1.774 40.184 38.460 -0.084 0.000 1.305 734 Y HN 0.591 nan 8.280 nan 0.000 0.463 735 M N 1.308 121.039 119.600 0.219 0.000 2.457 735 M HA 0.717 5.163 4.480 -0.058 0.000 0.300 735 M C -2.035 174.407 176.300 0.238 0.000 1.141 735 M CA -0.593 54.835 55.300 0.214 0.000 0.901 735 M CB 2.943 35.681 32.600 0.231 0.000 1.687 735 M HN 0.751 nan 8.290 nan 0.000 0.449 736 Q N 1.042 120.970 119.800 0.213 0.000 2.375 736 Q HA 0.859 5.165 4.340 -0.058 0.000 0.271 736 Q C -0.916 175.161 176.000 0.129 0.000 1.074 736 Q CA -1.099 54.806 55.803 0.170 0.000 0.808 736 Q CB 2.826 31.671 28.738 0.178 0.000 1.327 736 Q HN 1.061 nan 8.270 nan 0.000 0.441 737 G N 0.430 109.290 108.800 0.099 0.000 2.701 737 G HA2 0.621 4.547 3.960 -0.058 0.000 0.300 737 G HA3 0.621 4.547 3.960 -0.058 0.000 0.300 737 G C -1.189 173.743 174.900 0.053 0.000 1.410 737 G CA -0.520 44.625 45.100 0.075 0.000 1.014 737 G HN 0.525 nan 8.290 nan 0.000 0.509 738 S N 1.027 116.743 115.700 0.028 0.000 2.537 738 S HA 0.807 5.242 4.470 -0.058 0.000 0.270 738 S C -1.253 173.315 174.600 -0.053 0.000 1.142 738 S CA -0.805 57.395 58.200 -0.000 0.000 0.870 738 S CB 1.781 64.978 63.200 -0.005 0.000 1.112 738 S HN 0.637 nan 8.310 nan 0.000 0.466 739 L N 1.509 122.678 121.223 -0.091 0.000 2.388 739 L HA 0.682 4.987 4.340 -0.058 0.000 0.264 739 L C -0.888 175.790 176.870 -0.319 0.000 0.998 739 L CA -0.749 53.942 54.840 -0.249 0.000 0.817 739 L CB 2.454 44.356 42.059 -0.261 0.000 1.338 739 L HN 0.782 nan 8.230 nan 0.000 0.414 740 K N 2.734 122.826 120.400 -0.514 0.000 2.507 740 K HA 0.599 4.884 4.320 -0.058 0.000 0.251 740 K C -1.532 174.738 176.600 -0.550 0.000 0.943 740 K CA -0.471 55.589 56.287 -0.377 0.000 0.794 740 K CB 2.393 34.770 32.500 -0.205 0.000 1.188 740 K HN 0.192 nan 8.250 nan 0.000 0.428 741 F N 0.000 119.927 119.950 -0.038 0.000 2.286 741 F HA 0.000 4.492 4.527 -0.058 0.000 0.279 741 F CA 0.000 57.989 58.000 -0.018 0.000 1.383 741 F CB 0.000 39.003 39.000 0.006 0.000 1.145 741 F HN 0.000 nan 8.300 nan 0.000 0.574