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 3ean_1_A DATA FIRST_RESID 10 DATA SEQUENCE SYDFDLIIIG GGSGGLAAAK EAAKFDKKVM VLDFVTPTPL GTRWGLGGTc DATA SEQUENCE VNVGcIPKKL MHQAALLGQA LKDSRNYGWK LEDTVKHDWE KMTESVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGKFIGPHK IMATNNKGKE KVYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPTKIEQI DATA SEQUENCE EAGTPGRLKV TAKSTNSEET IEDEFNTVLL AVGRDSCTRT IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEGK LELTPVAIQA GRLLAQRLYG DATA SEQUENCE GSTVKCDYDN VPTTVFTPLE YGCCGLSEEK AVEKFGEENI EVYHSFFWPL DATA SEQUENCE EWTVPSRDNN KCYAKVICNL KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKQQLDSTI GIHPVCAEIF TTLSVTKRSG GDILQSGCXG 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.085 174.600 -0.859 0.000 1.055 10 S CA 0.000 57.917 58.200 -0.472 0.000 1.107 10 S CB 0.000 62.867 63.200 -0.555 0.000 0.593 11 Y N 0.040 120.318 120.300 -0.037 0.000 2.521 11 Y HA 0.389 4.939 4.550 -0.000 0.000 0.332 11 Y C 0.473 176.328 175.900 -0.075 0.000 1.121 11 Y CA -1.342 56.745 58.100 -0.022 0.000 1.037 11 Y CB 0.866 39.323 38.460 -0.004 0.000 1.330 11 Y HN -0.012 nan 8.280 nan 0.000 0.452 12 D N 1.173 121.608 120.400 0.057 0.000 2.085 12 D HA 0.006 4.646 4.640 -0.000 0.000 0.199 12 D C -0.118 175.868 176.300 -0.524 0.000 0.981 12 D CA 1.812 55.648 54.000 -0.274 0.000 0.834 12 D CB 0.143 40.770 40.800 -0.289 0.000 0.992 12 D HN 0.232 nan 8.370 nan 0.000 0.457 13 F N 0.431 120.430 119.950 0.082 0.000 2.556 13 F HA 0.277 4.804 4.527 -0.000 0.000 0.327 13 F C 1.491 177.261 175.800 -0.049 0.000 1.059 13 F CA -0.994 57.000 58.000 -0.009 0.000 0.953 13 F CB 1.169 40.123 39.000 -0.077 0.000 1.227 13 F HN -0.302 nan 8.300 nan 0.000 0.478 14 D N 0.409 120.885 120.400 0.127 0.000 2.149 14 D HA -0.022 4.618 4.640 -0.000 0.000 0.201 14 D C -0.035 176.269 176.300 0.007 0.000 0.972 14 D CA 1.594 55.612 54.000 0.029 0.000 0.835 14 D CB 0.419 41.204 40.800 -0.026 0.000 0.966 14 D HN 0.144 nan 8.370 nan 0.000 0.476 15 L N 0.540 121.762 121.223 -0.001 0.000 2.464 15 L HA 0.411 4.751 4.340 -0.000 0.000 0.266 15 L C -1.575 175.188 176.870 -0.178 0.000 0.965 15 L CA -0.448 54.355 54.840 -0.061 0.000 0.833 15 L CB 2.268 44.361 42.059 0.057 0.000 1.296 15 L HN -0.235 nan 8.230 nan 0.000 0.405 16 I N 5.886 126.264 120.570 -0.319 0.000 2.389 16 I HA 0.442 4.612 4.170 -0.000 0.000 0.288 16 I C -0.626 175.441 176.117 -0.082 0.000 0.999 16 I CA -0.429 60.697 61.300 -0.289 0.000 1.129 16 I CB 1.749 39.558 38.000 -0.319 0.000 1.288 16 I HN 0.502 nan 8.210 nan 0.000 0.444 17 I N 7.248 127.772 120.570 -0.078 0.000 2.336 17 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 17 I C -0.329 175.777 176.117 -0.018 0.000 0.991 17 I CA -0.418 60.877 61.300 -0.007 0.000 1.227 17 I CB 1.308 39.291 38.000 -0.027 0.000 1.366 17 I HN 0.368 nan 8.210 nan 0.000 0.466 18 I N 6.180 126.756 120.570 0.010 0.000 2.307 18 I HA 0.594 4.764 4.170 -0.000 0.000 0.289 18 I C 0.434 176.527 176.117 -0.039 0.000 1.021 18 I CA -0.268 61.001 61.300 -0.051 0.000 1.224 18 I CB 1.026 38.965 38.000 -0.101 0.000 1.376 18 I HN 0.794 nan 8.210 nan 0.000 0.470 19 G N 3.622 112.399 108.800 -0.040 0.000 3.367 19 G HA2 0.066 4.026 3.960 -0.000 0.000 0.686 19 G HA3 0.066 4.026 3.960 -0.000 0.000 0.686 19 G C -0.141 174.750 174.900 -0.016 0.000 1.146 19 G CA -0.554 44.538 45.100 -0.014 0.000 0.913 19 G HN 0.978 nan 8.290 nan 0.000 0.554 20 G N 0.914 109.704 108.800 -0.017 0.000 4.637 20 G HA2 0.704 4.664 3.960 -0.000 0.000 0.308 20 G HA3 0.704 4.664 3.960 -0.000 0.000 0.308 20 G C 0.790 175.613 174.900 -0.129 0.000 1.377 20 G CA 0.861 45.914 45.100 -0.078 0.000 1.176 20 G HN 1.255 nan 8.290 nan 0.000 0.601 21 G N 0.062 108.811 108.800 -0.086 0.000 2.574 21 G HA2 0.373 4.333 3.960 -0.000 0.000 0.248 21 G HA3 0.373 4.333 3.960 -0.000 0.000 0.248 21 G C 1.237 176.055 174.900 -0.136 0.000 1.422 21 G CA 0.324 45.367 45.100 -0.096 0.000 1.051 21 G HN 0.192 nan 8.290 nan 0.000 0.560 22 S N -0.366 115.279 115.700 -0.091 0.000 2.369 22 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 22 S C 2.453 177.027 174.600 -0.042 0.000 1.043 22 S CA 2.123 60.282 58.200 -0.067 0.000 1.074 22 S CB -0.813 62.377 63.200 -0.017 0.000 0.962 22 S HN 0.781 nan 8.310 nan 0.000 0.433 23 G N 0.623 109.415 108.800 -0.013 0.000 2.414 23 G HA2 0.019 3.979 3.960 -0.000 0.000 0.215 23 G HA3 0.019 3.979 3.960 -0.000 0.000 0.215 23 G C 1.489 176.385 174.900 -0.007 0.000 1.188 23 G CA 0.914 46.017 45.100 0.005 0.000 0.783 23 G HN 0.583 nan 8.290 nan 0.000 0.537 24 G N 1.090 109.879 108.800 -0.018 0.000 2.491 24 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 24 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 24 G C 1.807 176.680 174.900 -0.046 0.000 1.180 24 G CA 0.920 46.005 45.100 -0.025 0.000 0.774 24 G HN 0.409 nan 8.290 nan 0.000 0.562 25 L N 0.575 121.744 121.223 -0.090 0.000 2.201 25 L HA -0.004 4.336 4.340 -0.000 0.000 0.212 25 L C 3.376 180.226 176.870 -0.033 0.000 1.105 25 L CA 0.755 55.535 54.840 -0.100 0.000 0.775 25 L CB -0.389 41.531 42.059 -0.232 0.000 0.913 25 L HN 0.336 nan 8.230 nan 0.000 0.440 26 A N 0.324 123.133 122.820 -0.019 0.000 1.855 26 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 26 A C 2.557 180.151 177.584 0.018 0.000 1.191 26 A CA 1.609 53.651 52.037 0.008 0.000 0.613 26 A CB -0.697 18.308 19.000 0.008 0.000 0.829 26 A HN 0.362 nan 8.150 nan 0.000 0.442 27 A N -0.305 122.525 122.820 0.016 0.000 1.972 27 A HA 0.164 4.484 4.320 -0.000 0.000 0.219 27 A C 2.426 180.037 177.584 0.045 0.000 1.169 27 A CA 2.083 54.140 52.037 0.034 0.000 0.635 27 A CB -0.825 18.191 19.000 0.027 0.000 0.810 27 A HN 0.984 nan 8.150 nan 0.000 0.446 28 A N -0.101 122.729 122.820 0.016 0.000 1.872 28 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 28 A C 2.151 179.743 177.584 0.014 0.000 1.187 28 A CA 1.707 53.747 52.037 0.005 0.000 0.614 28 A CB -0.427 18.558 19.000 -0.024 0.000 0.826 28 A HN 0.467 nan 8.150 nan 0.000 0.442 29 K N -0.308 120.101 120.400 0.014 0.000 2.147 29 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 29 K C 1.801 178.406 176.600 0.009 0.000 1.049 29 K CA 1.951 58.245 56.287 0.010 0.000 0.936 29 K CB -0.080 32.431 32.500 0.020 0.000 0.722 29 K HN 0.377 nan 8.250 nan 0.000 0.446 30 E N 0.295 120.520 120.200 0.042 0.000 2.086 30 E HA 0.033 4.383 4.350 -0.000 0.000 0.190 30 E C 1.700 178.396 176.600 0.160 0.000 0.975 30 E CA 1.228 57.673 56.400 0.076 0.000 0.813 30 E CB -0.132 29.636 29.700 0.113 0.000 0.768 30 E HN 0.370 nan 8.360 nan 0.000 0.457 31 A N 0.737 123.673 122.820 0.194 0.000 1.933 31 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 31 A C 2.355 180.011 177.584 0.120 0.000 1.175 31 A CA 1.784 53.981 52.037 0.267 0.000 0.628 31 A CB -0.849 18.265 19.000 0.190 0.000 0.814 31 A HN 0.326 nan 8.150 nan 0.000 0.444 32 A N -0.174 122.662 122.820 0.027 0.000 2.070 32 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 32 A C 1.989 179.524 177.584 -0.082 0.000 1.159 32 A CA 1.640 53.661 52.037 -0.026 0.000 0.656 32 A CB -0.418 18.566 19.000 -0.027 0.000 0.800 32 A HN 0.558 nan 8.150 nan 0.000 0.453 33 K N -1.373 118.923 120.400 -0.174 0.000 2.281 33 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 33 K C 0.258 176.558 176.600 -0.499 0.000 1.046 33 K CA 1.206 57.251 56.287 -0.404 0.000 0.938 33 K CB -0.234 31.872 32.500 -0.657 0.000 0.737 33 K HN 0.622 nan 8.250 nan 0.000 0.458 34 F N 0.587 120.515 119.950 -0.038 0.000 2.639 34 F HA 0.082 4.609 4.527 -0.000 0.000 0.300 34 F C -0.135 175.615 175.800 -0.084 0.000 1.109 34 F CA -0.634 57.339 58.000 -0.045 0.000 1.335 34 F CB 0.021 39.008 39.000 -0.022 0.000 1.014 34 F HN -0.016 nan 8.300 nan 0.000 0.537 35 D N 1.953 122.366 120.400 0.022 0.000 2.904 35 D HA -0.198 4.441 4.640 -0.000 0.000 0.231 35 D C -0.555 175.727 176.300 -0.029 0.000 1.185 35 D CA 0.567 54.566 54.000 -0.003 0.000 0.783 35 D CB -0.260 40.545 40.800 0.008 0.000 0.961 35 D HN 0.031 nan 8.370 nan 0.000 0.409 36 K N 1.511 121.864 120.400 -0.078 0.000 2.328 36 K HA 0.421 4.741 4.320 -0.000 0.000 0.246 36 K C 0.182 176.752 176.600 -0.049 0.000 0.955 36 K CA -0.889 55.317 56.287 -0.135 0.000 0.817 36 K CB 1.307 33.572 32.500 -0.392 0.000 1.208 36 K HN 0.105 nan 8.250 nan 0.000 0.432 37 K N 1.561 121.969 120.400 0.012 0.000 2.310 37 K HA 0.269 4.589 4.320 -0.000 0.000 0.290 37 K C -0.463 176.243 176.600 0.177 0.000 1.077 37 K CA -0.304 56.071 56.287 0.146 0.000 0.922 37 K CB 0.645 33.255 32.500 0.184 0.000 1.057 37 K HN 0.192 nan 8.250 nan 0.000 0.479 38 V N 4.573 124.532 119.914 0.076 0.000 2.604 38 V HA 0.443 4.563 4.120 -0.000 0.000 0.305 38 V C -0.418 175.464 176.094 -0.353 0.000 1.043 38 V CA -0.953 61.285 62.300 -0.103 0.000 0.888 38 V CB 1.768 33.544 31.823 -0.078 0.000 0.995 38 V HN 0.778 nan 8.190 nan 0.000 0.429 39 M N 4.586 123.800 119.600 -0.642 0.000 2.321 39 M HA 0.689 5.169 4.480 -0.000 0.000 0.315 39 M C -1.764 174.300 176.300 -0.393 0.000 1.052 39 M CA -0.519 54.328 55.300 -0.755 0.000 0.936 39 M CB 1.952 33.641 32.600 -1.518 0.000 1.639 39 M HN 0.449 nan 8.290 nan 0.000 0.433 40 V N 6.299 126.082 119.914 -0.218 0.000 2.370 40 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 40 V C -0.299 175.769 176.094 -0.043 0.000 1.029 40 V CA -0.594 61.655 62.300 -0.084 0.000 0.870 40 V CB 1.375 33.199 31.823 0.002 0.000 0.984 40 V HN 0.786 nan 8.190 nan 0.000 0.451 41 L N 4.662 125.842 121.223 -0.070 0.000 2.264 41 L HA 0.598 4.938 4.340 -0.000 0.000 0.289 41 L C -0.621 176.272 176.870 0.037 0.000 1.044 41 L CA -0.131 54.680 54.840 -0.048 0.000 0.807 41 L CB 1.384 43.382 42.059 -0.101 0.000 1.192 41 L HN 0.651 nan 8.230 nan 0.000 0.425 42 D N 2.854 123.337 120.400 0.138 0.000 2.936 42 D HA 0.498 5.138 4.640 -0.000 0.000 0.238 42 D C -1.645 174.783 176.300 0.213 0.000 1.248 42 D CA -0.196 53.906 54.000 0.169 0.000 0.903 42 D CB 1.594 42.511 40.800 0.196 0.000 1.544 42 D HN 0.222 nan 8.370 nan 0.000 0.543 43 F N 3.797 123.762 119.950 0.025 0.000 2.561 43 F HA 0.533 5.060 4.527 -0.000 0.000 0.313 43 F C -1.459 174.350 175.800 0.015 0.000 1.126 43 F CA -0.708 57.316 58.000 0.040 0.000 0.918 43 F CB 1.726 40.801 39.000 0.125 0.000 1.199 43 F HN 0.136 nan 8.300 nan 0.000 0.444 44 V N 4.479 124.079 119.914 -0.524 0.000 2.318 44 V HA 0.257 4.377 4.120 -0.000 0.000 0.271 44 V C -0.025 175.849 176.094 -0.365 0.000 1.030 44 V CA -0.600 61.440 62.300 -0.434 0.000 0.844 44 V CB 1.107 32.442 31.823 -0.813 0.000 1.015 44 V HN 0.825 nan 8.190 nan 0.000 0.460 45 T N 4.739 119.319 114.554 0.044 0.000 2.901 45 T HA 0.414 4.764 4.350 -0.000 0.000 0.301 45 T C -2.271 172.367 174.700 -0.103 0.000 1.012 45 T CA -1.327 60.834 62.100 0.101 0.000 1.135 45 T CB 1.018 69.975 68.868 0.148 0.000 0.936 45 T HN 0.415 nan 8.240 nan 0.000 0.539 46 P HA 0.240 nan 4.420 nan 0.000 0.274 46 P C 0.480 177.761 177.300 -0.031 0.000 1.237 46 P CA -0.520 62.506 63.100 -0.124 0.000 0.793 46 P CB 0.234 31.894 31.700 -0.066 0.000 0.977 47 T N -1.156 113.412 114.554 0.024 0.000 2.813 47 T HA 0.145 4.495 4.350 -0.000 0.000 0.297 47 T C -1.718 173.015 174.700 0.056 0.000 1.036 47 T CA -1.238 60.927 62.100 0.108 0.000 1.044 47 T CB -0.587 68.397 68.868 0.193 0.000 0.993 47 T HN 0.201 nan 8.240 nan 0.000 0.535 48 P HA -0.022 nan 4.420 nan 0.000 0.218 48 P C 1.159 178.454 177.300 -0.008 0.000 1.146 48 P CA 0.992 64.067 63.100 -0.043 0.000 0.813 48 P CB -0.095 31.510 31.700 -0.158 0.000 0.778 49 L N -2.931 118.320 121.223 0.047 0.000 2.591 49 L HA 0.265 4.605 4.340 -0.000 0.000 0.228 49 L C 1.387 178.292 176.870 0.059 0.000 1.133 49 L CA 0.591 55.466 54.840 0.057 0.000 0.880 49 L CB -0.722 41.393 42.059 0.095 0.000 1.033 49 L HN 0.126 nan 8.230 nan 0.000 0.450 50 G N -0.103 108.725 108.800 0.047 0.000 2.141 50 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.231 50 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.231 50 G C 0.264 175.190 174.900 0.044 0.000 0.984 50 G CA 0.072 45.192 45.100 0.033 0.000 0.660 50 G HN 0.244 nan 8.290 nan 0.000 0.525 51 T N 1.050 115.654 114.554 0.084 0.000 2.851 51 T HA 0.608 4.958 4.350 -0.000 0.000 0.298 51 T C 0.664 175.382 174.700 0.031 0.000 0.977 51 T CA 0.489 62.672 62.100 0.139 0.000 1.126 51 T CB 0.945 69.972 68.868 0.265 0.000 0.916 51 T HN 0.792 nan 8.240 nan 0.000 0.529 52 R N 1.362 121.858 120.500 -0.006 0.000 2.906 52 R HA 0.868 5.208 4.340 -0.000 0.000 0.258 52 R C -1.330 174.997 176.300 0.046 0.000 1.156 52 R CA -1.186 54.726 56.100 -0.312 0.000 0.996 52 R CB 1.180 31.216 30.300 -0.441 0.000 1.259 52 R HN 0.743 nan 8.270 nan 0.000 0.462 53 W N -2.203 119.075 121.300 -0.036 0.000 2.894 53 W HA 0.816 5.476 4.660 -0.000 0.000 0.424 53 W C -0.745 175.728 176.519 -0.077 0.000 1.072 53 W CA -0.994 56.331 57.345 -0.034 0.000 1.194 53 W CB 0.085 29.542 29.460 -0.005 0.000 1.471 53 W HN 0.787 nan 8.180 nan 0.000 0.608 54 G N 0.118 109.083 108.800 0.275 0.000 2.938 54 G HA2 0.570 4.530 3.960 -0.000 0.000 0.258 54 G HA3 0.570 4.530 3.960 -0.000 0.000 0.258 54 G C -1.469 173.464 174.900 0.055 0.000 1.356 54 G CA -1.202 43.927 45.100 0.049 0.000 1.052 54 G HN 0.738 nan 8.290 nan 0.000 0.550 55 L N 0.057 121.230 121.223 -0.082 0.000 2.483 55 L HA 0.470 4.810 4.340 -0.000 0.000 0.276 55 L C 1.370 178.170 176.870 -0.116 0.000 1.213 55 L CA 2.165 56.918 54.840 -0.144 0.000 0.843 55 L CB 0.997 42.849 42.059 -0.346 0.000 1.107 55 L HN 1.309 nan 8.230 nan 0.000 0.487 56 G N 1.213 109.885 108.800 -0.212 0.000 2.551 56 G HA2 0.276 4.236 3.960 -0.000 0.000 0.186 56 G HA3 0.276 4.236 3.960 -0.000 0.000 0.186 56 G C 0.769 175.553 174.900 -0.193 0.000 1.002 56 G CA 0.084 44.982 45.100 -0.336 0.000 0.723 56 G HN 1.809 nan 8.290 nan 0.000 0.481 57 G N -0.891 107.891 108.800 -0.031 0.000 2.642 57 G HA2 0.029 3.989 3.960 -0.000 0.000 0.231 57 G HA3 0.029 3.989 3.960 -0.000 0.000 0.231 57 G C 0.820 175.744 174.900 0.039 0.000 1.338 57 G CA 0.732 45.858 45.100 0.043 0.000 0.883 57 G HN 1.120 nan 8.290 nan 0.000 0.570 58 T N -0.524 114.055 114.554 0.043 0.000 2.812 58 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 58 T C 2.472 177.127 174.700 -0.076 0.000 1.042 58 T CA 2.435 64.534 62.100 -0.002 0.000 1.140 58 T CB -0.537 68.371 68.868 0.066 0.000 0.870 58 T HN 1.017 nan 8.240 nan 0.000 0.445 59 c N 1.235 119.811 118.600 -0.039 0.000 2.432 59 c HA -0.043 4.527 4.570 -0.000 0.000 0.277 59 c C 2.743 176.776 174.090 -0.096 0.000 1.249 59 c CA 0.609 56.909 56.329 -0.047 0.000 1.725 59 c CB -1.201 41.302 42.510 -0.012 0.000 2.028 59 c HN 0.364 nan 8.230 nan 0.000 0.477 60 V N 1.724 121.587 119.914 -0.086 0.000 2.427 60 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 60 V C 2.203 178.202 176.094 -0.159 0.000 1.051 60 V CA 2.343 64.598 62.300 -0.076 0.000 1.048 60 V CB -0.619 31.198 31.823 -0.009 0.000 0.666 60 V HN 0.612 nan 8.190 nan 0.000 0.456 61 N N -0.241 118.302 118.700 -0.261 0.000 2.454 61 N HA 0.046 4.786 4.740 -0.000 0.000 0.177 61 N C 1.052 176.252 175.510 -0.516 0.000 1.049 61 N CA 1.488 54.286 53.050 -0.419 0.000 0.887 61 N CB 1.445 39.501 38.487 -0.719 0.000 1.095 61 N HN 0.535 nan 8.380 nan 0.000 0.446 62 V N -3.682 115.942 119.914 -0.483 0.000 3.399 62 V HA 0.607 4.727 4.120 -0.000 0.000 0.357 62 V C 0.483 176.500 176.094 -0.129 0.000 1.480 62 V CA -0.177 61.942 62.300 -0.302 0.000 1.263 62 V CB 0.514 32.027 31.823 -0.517 0.000 1.103 62 V HN 0.115 nan 8.190 nan 0.000 0.533 63 G N 0.129 108.783 108.800 -0.242 0.000 3.382 63 G HA2 0.220 4.180 3.960 -0.000 0.000 0.183 63 G HA3 0.220 4.180 3.960 -0.000 0.000 0.183 63 G C 1.035 175.818 174.900 -0.195 0.000 1.246 63 G CA 0.688 45.721 45.100 -0.112 0.000 0.828 63 G HN 0.287 nan 8.290 nan 0.000 0.728 64 c N 1.137 119.691 118.600 -0.076 0.000 2.376 64 c HA -0.089 4.481 4.570 -0.000 0.000 0.275 64 c C 2.738 176.710 174.090 -0.198 0.000 1.200 64 c CA 0.620 56.901 56.329 -0.080 0.000 1.756 64 c CB -1.414 41.081 42.510 -0.025 0.000 2.050 64 c HN 0.400 nan 8.230 nan 0.000 0.460 65 I N 2.429 122.879 120.570 -0.200 0.000 2.090 65 I HA -0.092 4.078 4.170 -0.000 0.000 0.236 65 I C 0.099 176.028 176.117 -0.313 0.000 1.064 65 I CA 1.816 62.998 61.300 -0.196 0.000 1.324 65 I CB -2.805 35.136 38.000 -0.098 0.000 1.044 65 I HN 0.228 nan 8.210 nan 0.000 0.399 66 P HA -0.164 nan 4.420 nan 0.000 0.221 66 P C 1.623 178.465 177.300 -0.764 0.000 1.150 66 P CA 1.393 64.111 63.100 -0.636 0.000 0.800 66 P CB -0.095 31.076 31.700 -0.882 0.000 0.787 67 K N 1.212 121.142 120.400 -0.783 0.000 2.002 67 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 67 K C 2.134 178.581 176.600 -0.255 0.000 1.048 67 K CA 1.655 57.730 56.287 -0.353 0.000 0.930 67 K CB -0.520 31.948 32.500 -0.054 0.000 0.714 67 K HN -0.141 nan 8.250 nan 0.000 0.438 68 K N 1.106 121.329 120.400 -0.294 0.000 2.063 68 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 68 K C 2.218 178.678 176.600 -0.233 0.000 1.048 68 K CA 1.247 57.346 56.287 -0.313 0.000 0.928 68 K CB -0.320 31.927 32.500 -0.421 0.000 0.713 68 K HN 0.182 nan 8.250 nan 0.000 0.442 69 L N -0.280 120.777 121.223 -0.277 0.000 2.093 69 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 69 L C 2.442 179.144 176.870 -0.279 0.000 1.085 69 L CA 1.190 55.877 54.840 -0.256 0.000 0.755 69 L CB -0.303 41.606 42.059 -0.251 0.000 0.904 69 L HN 0.265 nan 8.230 nan 0.000 0.435 70 M N -1.522 117.833 119.600 -0.409 0.000 2.254 70 M HA -0.174 4.306 4.480 -0.000 0.000 0.265 70 M C 2.306 178.378 176.300 -0.379 0.000 1.066 70 M CA 1.161 56.113 55.300 -0.579 0.000 1.123 70 M CB -0.558 31.333 32.600 -1.183 0.000 1.388 70 M HN 0.248 nan 8.290 nan 0.000 0.425 71 H N 0.724 119.603 119.070 -0.317 0.000 2.352 71 H HA -0.209 4.347 4.556 -0.000 0.000 0.299 71 H C 2.012 177.320 175.328 -0.033 0.000 1.097 71 H CA 2.190 58.224 56.048 -0.023 0.000 1.311 71 H CB -0.137 29.641 29.762 0.026 0.000 1.377 71 H HN 0.244 nan 8.280 nan 0.000 0.504 72 Q N 0.420 120.110 119.800 -0.185 0.000 2.124 72 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 72 Q C 2.378 178.279 176.000 -0.164 0.000 0.977 72 Q CA 1.806 57.478 55.803 -0.217 0.000 0.850 72 Q CB -0.769 27.867 28.738 -0.171 0.000 0.901 72 Q HN 0.555 nan 8.270 nan 0.000 0.429 73 A N 0.164 122.899 122.820 -0.141 0.000 1.933 73 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 73 A C 2.268 179.801 177.584 -0.085 0.000 1.175 73 A CA 1.930 53.910 52.037 -0.095 0.000 0.628 73 A CB -1.102 17.844 19.000 -0.090 0.000 0.814 73 A HN 0.515 nan 8.150 nan 0.000 0.444 74 A N -0.231 122.554 122.820 -0.059 0.000 1.873 74 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 74 A C 2.154 179.710 177.584 -0.046 0.000 1.186 74 A CA 1.390 53.423 52.037 -0.006 0.000 0.616 74 A CB -0.626 18.456 19.000 0.136 0.000 0.823 74 A HN 0.461 nan 8.150 nan 0.000 0.442 75 L N -0.482 120.664 121.223 -0.129 0.000 2.042 75 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 75 L C 2.518 179.349 176.870 -0.066 0.000 1.076 75 L CA 1.188 55.960 54.840 -0.113 0.000 0.749 75 L CB -0.626 41.322 42.059 -0.185 0.000 0.893 75 L HN 0.371 nan 8.230 nan 0.000 0.432 76 L N -0.527 120.651 121.223 -0.074 0.000 2.131 76 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 76 L C 2.677 179.529 176.870 -0.029 0.000 1.092 76 L CA 1.186 55.995 54.840 -0.053 0.000 0.759 76 L CB -1.174 40.851 42.059 -0.057 0.000 0.903 76 L HN 0.335 nan 8.230 nan 0.000 0.435 77 G N -0.628 108.159 108.800 -0.021 0.000 2.446 77 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 77 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 77 G C 1.495 176.395 174.900 -0.000 0.000 1.168 77 G CA 0.788 45.887 45.100 -0.001 0.000 0.771 77 G HN 0.269 nan 8.290 nan 0.000 0.551 78 Q N 0.851 120.644 119.800 -0.010 0.000 2.061 78 Q HA 0.023 4.363 4.340 -0.000 0.000 0.204 78 Q C 2.701 178.702 176.000 0.001 0.000 0.984 78 Q CA 2.146 57.939 55.803 -0.015 0.000 0.846 78 Q CB -0.796 27.919 28.738 -0.039 0.000 0.902 78 Q HN 0.386 nan 8.270 nan 0.000 0.421 79 A N 0.088 122.906 122.820 -0.003 0.000 1.940 79 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 79 A C 2.120 179.707 177.584 0.005 0.000 1.176 79 A CA 1.470 53.508 52.037 0.003 0.000 0.631 79 A CB -0.786 18.196 19.000 -0.030 0.000 0.814 79 A HN 0.466 nan 8.150 nan 0.000 0.446 80 L N -1.006 120.214 121.223 -0.005 0.000 2.046 80 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 80 L C 2.599 179.495 176.870 0.044 0.000 1.077 80 L CA 1.916 56.759 54.840 0.005 0.000 0.747 80 L CB -0.548 41.515 42.059 0.006 0.000 0.896 80 L HN 0.375 nan 8.230 nan 0.000 0.432 81 K N -0.039 120.388 120.400 0.045 0.000 2.026 81 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 81 K C 1.742 178.399 176.600 0.095 0.000 1.048 81 K CA 1.568 57.891 56.287 0.059 0.000 0.929 81 K CB -0.132 32.391 32.500 0.039 0.000 0.713 81 K HN 0.206 nan 8.250 nan 0.000 0.439 82 D N 0.191 120.659 120.400 0.113 0.000 2.178 82 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 82 D C 1.933 178.425 176.300 0.321 0.000 0.980 82 D CA 1.461 55.583 54.000 0.203 0.000 0.842 82 D CB -0.264 40.676 40.800 0.233 0.000 0.948 82 D HN 0.200 nan 8.370 nan 0.000 0.472 83 S N 0.241 116.098 115.700 0.261 0.000 2.442 83 S HA -0.189 4.281 4.470 -0.000 0.000 0.236 83 S C 1.911 176.767 174.600 0.427 0.000 1.007 83 S CA 0.801 59.232 58.200 0.385 0.000 0.965 83 S CB -0.188 63.127 63.200 0.191 0.000 0.773 83 S HN 0.195 nan 8.310 nan 0.000 0.504 84 R N 1.788 122.445 120.500 0.262 0.000 2.081 84 R HA -0.005 4.335 4.340 -0.000 0.000 0.235 84 R C 1.828 178.212 176.300 0.141 0.000 1.131 84 R CA 1.613 57.826 56.100 0.189 0.000 0.960 84 R CB -0.400 29.973 30.300 0.121 0.000 0.856 84 R HN 0.341 nan 8.270 nan 0.000 0.436 85 N N -0.392 118.371 118.700 0.106 0.000 2.381 85 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 85 N C 0.485 175.945 175.510 -0.084 0.000 1.025 85 N CA 0.987 54.024 53.050 -0.023 0.000 0.888 85 N CB -0.001 38.424 38.487 -0.104 0.000 0.965 85 N HN 0.366 nan 8.380 nan 0.000 0.438 86 Y N -0.731 119.618 120.300 0.082 0.000 2.461 86 Y HA 0.265 4.815 4.550 -0.000 0.000 0.277 86 Y C 1.584 177.430 175.900 -0.090 0.000 1.182 86 Y CA 0.183 58.310 58.100 0.045 0.000 1.276 86 Y CB 0.308 38.855 38.460 0.146 0.000 1.087 86 Y HN 0.083 nan 8.280 nan 0.000 0.519 87 G N -1.515 107.306 108.800 0.036 0.000 2.163 87 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.213 87 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.213 87 G C -0.365 174.419 174.900 -0.193 0.000 0.991 87 G CA -0.679 44.345 45.100 -0.128 0.000 0.653 87 G HN 0.294 nan 8.290 nan 0.000 0.518 88 W N 1.731 123.077 121.300 0.078 0.000 2.388 88 W HA 0.594 5.254 4.660 -0.000 0.000 0.308 88 W C 0.900 177.445 176.519 0.044 0.000 1.263 88 W CA -0.710 56.668 57.345 0.055 0.000 1.286 88 W CB 0.716 30.209 29.460 0.055 0.000 1.294 88 W HN -0.026 nan 8.180 nan 0.000 0.493 89 K N 3.940 124.483 120.400 0.239 0.000 2.199 89 K HA 0.081 4.401 4.320 -0.000 0.000 0.226 89 K C -0.300 176.391 176.600 0.151 0.000 1.237 89 K CA -0.313 56.062 56.287 0.148 0.000 1.170 89 K CB -0.232 32.326 32.500 0.097 0.000 1.418 89 K HN 0.194 nan 8.250 nan 0.000 0.255 90 L N 2.035 123.351 121.223 0.154 0.000 2.334 90 L HA 0.155 4.495 4.340 -0.000 0.000 0.277 90 L C 0.555 177.473 176.870 0.081 0.000 1.075 90 L CA -0.374 54.533 54.840 0.112 0.000 0.804 90 L CB 1.038 43.162 42.059 0.109 0.000 1.174 90 L HN 0.462 nan 8.230 nan 0.000 0.438 91 E N 1.859 122.096 120.200 0.062 0.000 3.136 91 E HA 0.008 4.358 4.350 -0.000 0.000 0.271 91 E C 0.235 176.863 176.600 0.047 0.000 1.454 91 E CA 0.324 56.754 56.400 0.049 0.000 1.194 91 E CB 0.127 29.852 29.700 0.041 0.000 1.175 91 E HN 0.636 nan 8.360 nan 0.000 0.726 92 D N -1.506 118.918 120.400 0.040 0.000 2.213 92 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 92 D C -0.421 175.901 176.300 0.038 0.000 0.961 92 D CA 0.936 54.959 54.000 0.038 0.000 0.853 92 D CB 0.218 41.036 40.800 0.031 0.000 0.967 92 D HN 0.476 nan 8.370 nan 0.000 0.496 93 T N 0.019 114.595 114.554 0.038 0.000 2.991 93 T HA 0.429 4.779 4.350 -0.000 0.000 0.303 93 T C -0.548 174.177 174.700 0.042 0.000 1.015 93 T CA -0.706 61.417 62.100 0.040 0.000 1.007 93 T CB 2.703 71.593 68.868 0.038 0.000 1.034 93 T HN -0.300 nan 8.240 nan 0.000 0.446 94 V N 3.418 123.361 119.914 0.048 0.000 2.384 94 V HA 0.418 4.538 4.120 -0.000 0.000 0.287 94 V C 0.237 176.374 176.094 0.071 0.000 1.020 94 V CA -0.959 61.371 62.300 0.051 0.000 0.850 94 V CB 1.334 33.184 31.823 0.046 0.000 0.987 94 V HN 0.723 nan 8.190 nan 0.000 0.436 95 K N 3.115 123.557 120.400 0.070 0.000 2.202 95 K HA 0.352 4.672 4.320 -0.000 0.000 0.264 95 K C -0.097 176.582 176.600 0.131 0.000 1.010 95 K CA -0.473 55.872 56.287 0.096 0.000 0.940 95 K CB 0.639 33.182 32.500 0.073 0.000 0.983 95 K HN 0.747 nan 8.250 nan 0.000 0.475 96 H N 1.024 120.135 119.070 0.067 0.000 2.502 96 H HA 0.165 4.721 4.556 -0.000 0.000 0.338 96 H C -1.292 174.097 175.328 0.102 0.000 1.155 96 H CA -0.510 55.585 56.048 0.079 0.000 1.237 96 H CB 1.806 31.630 29.762 0.104 0.000 1.534 96 H HN 0.541 nan 8.280 nan 0.000 0.523 97 D N 4.285 124.323 120.400 -0.603 0.000 2.454 97 D HA -0.020 4.620 4.640 -0.000 0.000 0.247 97 D C 0.913 177.042 176.300 -0.284 0.000 1.129 97 D CA -0.570 53.265 54.000 -0.274 0.000 0.877 97 D CB 0.144 40.839 40.800 -0.175 0.000 1.082 97 D HN 0.620 nan 8.370 nan 0.000 0.537 98 W N 4.499 125.756 121.300 -0.072 0.000 2.335 98 W HA -0.178 4.482 4.660 -0.000 0.000 0.311 98 W C 0.949 177.482 176.519 0.023 0.000 1.213 98 W CA 1.404 58.795 57.345 0.077 0.000 1.274 98 W CB 0.255 29.798 29.460 0.138 0.000 1.148 98 W HN 0.531 nan 8.180 nan 0.000 0.498 99 E N 0.236 120.551 120.200 0.193 0.000 2.110 99 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 99 E C 1.942 178.515 176.600 -0.045 0.000 0.988 99 E CA 1.555 58.017 56.400 0.104 0.000 0.804 99 E CB -0.361 29.432 29.700 0.155 0.000 0.745 99 E HN 0.056 nan 8.360 nan 0.000 0.458 100 K N 1.447 121.798 120.400 -0.081 0.000 2.057 100 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 100 K C 2.037 178.546 176.600 -0.152 0.000 1.050 100 K CA 1.058 57.281 56.287 -0.107 0.000 0.935 100 K CB -0.209 32.222 32.500 -0.114 0.000 0.715 100 K HN 0.058 nan 8.250 nan 0.000 0.439 101 M N 0.619 120.085 119.600 -0.224 0.000 2.065 101 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 101 M C 1.809 177.944 176.300 -0.275 0.000 1.069 101 M CA 2.552 57.714 55.300 -0.230 0.000 1.110 101 M CB -0.502 31.974 32.600 -0.206 0.000 1.328 101 M HN 0.424 nan 8.290 nan 0.000 0.405 102 T N -2.406 111.910 114.554 -0.397 0.000 2.995 102 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 102 T C 1.569 176.188 174.700 -0.135 0.000 1.091 102 T CA 1.443 63.357 62.100 -0.311 0.000 1.128 102 T CB -0.500 68.148 68.868 -0.365 0.000 0.891 102 T HN 0.614 nan 8.240 nan 0.000 0.492 103 E N 1.143 121.281 120.200 -0.104 0.000 2.051 103 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 103 E C 2.272 178.846 176.600 -0.044 0.000 0.991 103 E CA 1.421 57.793 56.400 -0.046 0.000 0.799 103 E CB -0.240 29.440 29.700 -0.033 0.000 0.748 103 E HN 0.578 nan 8.360 nan 0.000 0.449 104 S N -0.027 115.631 115.700 -0.069 0.000 2.383 104 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 104 S C 2.039 176.614 174.600 -0.042 0.000 1.026 104 S CA 1.025 59.192 58.200 -0.056 0.000 0.981 104 S CB -0.076 63.077 63.200 -0.080 0.000 0.818 104 S HN 0.145 nan 8.310 nan 0.000 0.472 105 V N 1.955 121.823 119.914 -0.076 0.000 2.295 105 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 105 V C 2.621 178.709 176.094 -0.010 0.000 1.049 105 V CA 1.456 63.717 62.300 -0.065 0.000 1.024 105 V CB -0.578 31.169 31.823 -0.126 0.000 0.648 105 V HN 0.397 nan 8.190 nan 0.000 0.447 106 Q N -0.242 119.551 119.800 -0.011 0.000 2.119 106 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 106 Q C 2.200 178.222 176.000 0.037 0.000 0.972 106 Q CA 1.052 56.867 55.803 0.020 0.000 0.847 106 Q CB -0.674 28.083 28.738 0.033 0.000 0.903 106 Q HN 0.646 nan 8.270 nan 0.000 0.433 107 N N 0.103 118.824 118.700 0.034 0.000 2.104 107 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 107 N C 1.748 177.295 175.510 0.062 0.000 1.024 107 N CA 1.342 54.418 53.050 0.044 0.000 0.853 107 N CB -0.086 38.419 38.487 0.029 0.000 1.008 107 N HN 0.353 nan 8.380 nan 0.000 0.424 108 H N 1.029 120.082 119.070 -0.028 0.000 2.333 108 H HA 0.110 4.666 4.556 -0.000 0.000 0.302 108 H C 2.231 177.551 175.328 -0.014 0.000 1.075 108 H CA 1.258 57.286 56.048 -0.034 0.000 1.348 108 H CB -0.339 29.385 29.762 -0.064 0.000 1.393 108 H HN 0.103 nan 8.280 nan 0.000 0.509 109 I N 0.143 120.677 120.570 -0.060 0.000 2.151 109 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 109 I C 2.709 178.798 176.117 -0.047 0.000 1.080 109 I CA 1.520 62.767 61.300 -0.089 0.000 1.339 109 I CB -0.674 37.303 38.000 -0.038 0.000 1.039 109 I HN 0.507 nan 8.210 nan 0.000 0.409 110 G N 0.063 108.880 108.800 0.027 0.000 2.442 110 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.219 110 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.219 110 G C 1.763 176.776 174.900 0.189 0.000 1.141 110 G CA 1.183 46.364 45.100 0.136 0.000 0.763 110 G HN 0.523 nan 8.290 nan 0.000 0.554 111 S N 0.008 115.730 115.700 0.037 0.000 2.461 111 S HA 0.137 4.607 4.470 -0.000 0.000 0.228 111 S C 2.305 176.866 174.600 -0.064 0.000 1.005 111 S CA 0.599 58.810 58.200 0.018 0.000 0.942 111 S CB -0.198 62.973 63.200 -0.049 0.000 0.776 111 S HN 0.305 nan 8.310 nan 0.000 0.514 112 L N 1.459 122.577 121.223 -0.174 0.000 2.072 112 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 112 L C 2.531 179.399 176.870 -0.004 0.000 1.079 112 L CA 1.389 56.124 54.840 -0.176 0.000 0.752 112 L CB -0.947 41.016 42.059 -0.159 0.000 0.906 112 L HN 0.394 nan 8.230 nan 0.000 0.436 113 N N -0.560 118.161 118.700 0.036 0.000 2.037 113 N HA -0.254 4.486 4.740 -0.000 0.000 0.196 113 N C 1.649 177.091 175.510 -0.113 0.000 1.034 113 N CA 1.885 54.917 53.050 -0.031 0.000 0.861 113 N CB -0.236 38.176 38.487 -0.125 0.000 1.039 113 N HN 0.291 nan 8.380 nan 0.000 0.427 114 W N 0.773 122.055 121.300 -0.030 0.000 2.476 114 W HA 0.147 4.807 4.660 -0.000 0.000 0.281 114 W C 2.550 179.023 176.519 -0.077 0.000 1.230 114 W CA 0.641 57.963 57.345 -0.039 0.000 1.287 114 W CB -0.756 28.682 29.460 -0.036 0.000 1.108 114 W HN 0.094 nan 8.180 nan 0.000 0.567 115 G N -0.034 108.798 108.800 0.054 0.000 2.476 115 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 115 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 115 G C 1.141 175.934 174.900 -0.179 0.000 1.164 115 G CA 1.303 46.326 45.100 -0.128 0.000 0.768 115 G HN 0.238 nan 8.290 nan 0.000 0.560 116 Y N 0.098 120.348 120.300 -0.083 0.000 2.263 116 Y HA 0.073 4.623 4.550 -0.000 0.000 0.292 116 Y C 2.915 178.710 175.900 -0.175 0.000 1.130 116 Y CA 1.175 59.194 58.100 -0.134 0.000 1.179 116 Y CB -0.285 38.066 38.460 -0.182 0.000 0.998 116 Y HN 0.099 nan 8.280 nan 0.000 0.532 117 R N -0.260 120.215 120.500 -0.042 0.000 2.075 117 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 117 R C 2.039 178.341 176.300 0.004 0.000 1.126 117 R CA 1.319 57.343 56.100 -0.127 0.000 0.963 117 R CB -0.463 29.716 30.300 -0.201 0.000 0.858 117 R HN 0.158 nan 8.270 nan 0.000 0.435 118 V N 0.588 120.535 119.914 0.054 0.000 2.307 118 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 118 V C 2.353 178.460 176.094 0.021 0.000 1.045 118 V CA 1.807 64.143 62.300 0.060 0.000 1.024 118 V CB -0.643 31.221 31.823 0.069 0.000 0.651 118 V HN 0.541 nan 8.190 nan 0.000 0.449 119 A N -0.049 122.769 122.820 -0.003 0.000 1.892 119 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 119 A C 2.219 179.808 177.584 0.008 0.000 1.188 119 A CA 2.177 54.210 52.037 -0.006 0.000 0.631 119 A CB -0.669 18.325 19.000 -0.011 0.000 0.822 119 A HN 0.503 nan 8.150 nan 0.000 0.447 120 L N -1.431 119.797 121.223 0.008 0.000 2.046 120 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 120 L C 2.851 179.734 176.870 0.021 0.000 1.077 120 L CA 1.789 56.631 54.840 0.003 0.000 0.747 120 L CB -0.527 41.516 42.059 -0.026 0.000 0.896 120 L HN 0.473 nan 8.230 nan 0.000 0.432 121 R N 0.092 120.613 120.500 0.035 0.000 2.083 121 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 121 R C 2.243 178.562 176.300 0.031 0.000 1.137 121 R CA 1.438 57.566 56.100 0.047 0.000 0.951 121 R CB -0.001 30.337 30.300 0.063 0.000 0.851 121 R HN 0.289 nan 8.270 nan 0.000 0.434 122 E N 0.670 120.882 120.200 0.021 0.000 2.077 122 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 122 E C 1.686 178.287 176.600 0.002 0.000 0.989 122 E CA 1.036 57.441 56.400 0.009 0.000 0.800 122 E CB -0.039 29.662 29.700 0.001 0.000 0.746 122 E HN 0.208 nan 8.360 nan 0.000 0.452 123 K N 0.761 121.161 120.400 -0.000 0.000 2.555 123 K HA -0.009 4.311 4.320 -0.000 0.000 0.193 123 K C 0.191 176.789 176.600 -0.002 0.000 1.032 123 K CA 0.085 56.366 56.287 -0.009 0.000 1.004 123 K CB 0.040 32.532 32.500 -0.012 0.000 0.804 123 K HN 0.121 nan 8.250 nan 0.000 0.496 124 K N 0.073 120.479 120.400 0.011 0.000 3.125 124 K HA -0.125 4.195 4.320 -0.000 0.000 0.268 124 K C -0.760 175.856 176.600 0.026 0.000 1.078 124 K CA 0.178 56.479 56.287 0.024 0.000 0.775 124 K CB -1.784 30.728 32.500 0.021 0.000 1.253 124 K HN -0.097 nan 8.250 nan 0.000 0.486 125 V N 1.363 121.288 119.914 0.018 0.000 2.394 125 V HA 0.194 4.314 4.120 -0.000 0.000 0.282 125 V C 0.740 176.841 176.094 0.011 0.000 1.031 125 V CA -0.896 61.403 62.300 -0.002 0.000 0.881 125 V CB 1.767 33.579 31.823 -0.019 0.000 0.982 125 V HN 0.071 nan 8.190 nan 0.000 0.451 126 V N 6.047 125.945 119.914 -0.025 0.000 2.479 126 V HA 0.068 4.188 4.120 -0.000 0.000 0.281 126 V C -0.371 175.701 176.094 -0.037 0.000 1.031 126 V CA 0.015 62.301 62.300 -0.024 0.000 1.038 126 V CB 0.222 32.019 31.823 -0.043 0.000 0.981 126 V HN 0.745 nan 8.190 nan 0.000 0.478 127 Y N 5.016 125.259 120.300 -0.095 0.000 2.335 127 Y HA 0.676 5.226 4.550 -0.000 0.000 0.338 127 Y C -0.296 175.558 175.900 -0.076 0.000 0.977 127 Y CA -1.475 56.565 58.100 -0.100 0.000 1.114 127 Y CB 1.629 40.048 38.460 -0.068 0.000 1.182 127 Y HN 0.665 nan 8.280 nan 0.000 0.463 128 E N 4.768 124.620 120.200 -0.580 0.000 2.220 128 E HA 0.208 4.558 4.350 -0.000 0.000 0.256 128 E C -1.105 175.114 176.600 -0.635 0.000 0.881 128 E CA -0.346 55.731 56.400 -0.539 0.000 0.766 128 E CB 0.564 30.104 29.700 -0.266 0.000 1.187 128 E HN 0.735 nan 8.360 nan 0.000 0.419 129 N N 3.355 121.642 118.700 -0.688 0.000 2.739 129 N HA 0.356 5.096 4.740 -0.000 0.000 0.266 129 N C -1.298 174.252 175.510 0.067 0.000 1.168 129 N CA 0.139 52.996 53.050 -0.322 0.000 1.055 129 N CB 0.031 38.367 38.487 -0.251 0.000 1.393 129 N HN 0.402 nan 8.380 nan 0.000 0.514 130 A N 2.911 125.832 122.820 0.168 0.000 2.589 130 A HA 0.209 4.529 4.320 -0.000 0.000 0.296 130 A C -1.863 175.802 177.584 0.135 0.000 1.062 130 A CA -0.650 51.506 52.037 0.199 0.000 0.686 130 A CB 0.699 19.737 19.000 0.062 0.000 1.282 130 A HN 0.589 nan 8.150 nan 0.000 0.404 131 Y N 1.474 121.635 120.300 -0.232 0.000 2.359 131 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 131 Y C 0.921 176.739 175.900 -0.136 0.000 1.058 131 Y CA 0.917 58.874 58.100 -0.237 0.000 1.244 131 Y CB 0.876 39.008 38.460 -0.547 0.000 1.187 131 Y HN 0.856 nan 8.280 nan 0.000 0.510 132 G N 5.702 114.226 108.800 -0.461 0.000 2.377 132 G HA2 0.427 4.387 3.960 -0.000 0.000 0.299 132 G HA3 0.427 4.387 3.960 -0.000 0.000 0.299 132 G C -1.450 173.246 174.900 -0.339 0.000 1.150 132 G CA -0.733 44.175 45.100 -0.321 0.000 0.847 132 G HN 0.628 nan 8.290 nan 0.000 0.501 133 K N 1.954 122.233 120.400 -0.201 0.000 2.619 133 K HA 0.285 4.605 4.320 -0.000 0.000 0.251 133 K C -1.146 175.373 176.600 -0.135 0.000 0.987 133 K CA -0.749 55.468 56.287 -0.117 0.000 0.844 133 K CB 1.201 33.738 32.500 0.061 0.000 1.237 133 K HN 0.294 nan 8.250 nan 0.000 0.447 134 F N 4.748 124.659 119.950 -0.064 0.000 2.572 134 F HA 0.047 4.574 4.527 -0.000 0.000 0.370 134 F C 1.659 177.437 175.800 -0.037 0.000 1.103 134 F CA 0.217 58.157 58.000 -0.100 0.000 1.286 134 F CB 0.425 39.323 39.000 -0.170 0.000 1.105 134 F HN 0.490 nan 8.300 nan 0.000 0.583 135 I N -0.387 120.300 120.570 0.194 0.000 4.187 135 I HA 0.621 4.791 4.170 -0.000 0.000 0.326 135 I C 0.767 176.951 176.117 0.112 0.000 1.302 135 I CA 0.194 61.569 61.300 0.125 0.000 1.196 135 I CB 0.279 38.337 38.000 0.096 0.000 1.095 135 I HN 0.549 nan 8.210 nan 0.000 0.411 136 G N 1.480 110.361 108.800 0.135 0.000 2.322 136 G HA2 0.303 4.263 3.960 -0.000 0.000 0.295 136 G HA3 0.303 4.263 3.960 -0.000 0.000 0.295 136 G C -3.248 171.731 174.900 0.132 0.000 1.369 136 G CA -0.800 44.362 45.100 0.103 0.000 0.821 136 G HN -0.184 nan 8.290 nan 0.000 0.536 137 P HA 0.052 nan 4.420 nan 0.000 0.258 137 P C 0.098 177.588 177.300 0.316 0.000 1.172 137 P CA 1.011 64.233 63.100 0.203 0.000 0.762 137 P CB -0.143 31.684 31.700 0.210 0.000 0.764 138 H N -0.590 118.654 119.070 0.290 0.000 3.211 138 H HA -0.144 4.412 4.556 -0.000 0.000 0.240 138 H C -0.094 175.571 175.328 0.561 0.000 1.148 138 H CA 1.146 57.451 56.048 0.428 0.000 1.160 138 H CB -1.197 28.690 29.762 0.208 0.000 1.232 138 H HN 0.557 nan 8.280 nan 0.000 0.321 139 K N 0.462 121.145 120.400 0.471 0.000 2.378 139 K HA 0.694 5.014 4.320 -0.000 0.000 0.252 139 K C -0.404 176.389 176.600 0.321 0.000 0.931 139 K CA -0.525 56.009 56.287 0.411 0.000 0.794 139 K CB 2.897 35.562 32.500 0.274 0.000 1.181 139 K HN 0.042 nan 8.250 nan 0.000 0.425 140 I N 2.567 123.329 120.570 0.319 0.000 2.828 140 I HA 0.417 4.587 4.170 -0.000 0.000 0.302 140 I C -1.335 174.882 176.117 0.167 0.000 1.101 140 I CA -1.114 60.270 61.300 0.140 0.000 1.031 140 I CB 2.111 40.148 38.000 0.062 0.000 1.231 140 I HN 0.647 nan 8.210 nan 0.000 0.427 141 M N 6.595 126.242 119.600 0.079 0.000 2.227 141 M HA 0.634 5.114 4.480 -0.000 0.000 0.335 141 M C -1.219 175.132 176.300 0.085 0.000 1.053 141 M CA -0.517 54.835 55.300 0.086 0.000 0.973 141 M CB 1.489 34.120 32.600 0.051 0.000 1.623 141 M HN 0.667 nan 8.290 nan 0.000 0.434 142 A N 3.963 126.870 122.820 0.144 0.000 2.280 142 A HA 0.561 4.881 4.320 -0.000 0.000 0.320 142 A C -0.491 177.133 177.584 0.066 0.000 1.366 142 A CA -0.477 51.636 52.037 0.127 0.000 0.938 142 A CB 0.120 19.278 19.000 0.263 0.000 1.157 142 A HN 0.785 nan 8.150 nan 0.000 0.536 143 T N 3.897 118.460 114.554 0.015 0.000 2.733 143 T HA 0.302 4.652 4.350 -0.000 0.000 0.294 143 T C 0.655 175.293 174.700 -0.104 0.000 0.956 143 T CA -0.601 61.471 62.100 -0.047 0.000 0.987 143 T CB 0.269 69.082 68.868 -0.092 0.000 0.920 143 T HN 0.874 nan 8.240 nan 0.000 0.470 144 N N 3.016 121.694 118.700 -0.037 0.000 2.366 144 N HA 0.084 4.824 4.740 -0.000 0.000 0.277 144 N C 1.156 176.692 175.510 0.044 0.000 1.275 144 N CA -0.709 52.356 53.050 0.026 0.000 0.964 144 N CB 0.169 38.693 38.487 0.061 0.000 1.167 144 N HN 0.514 nan 8.380 nan 0.000 0.568 145 N N -0.189 118.653 118.700 0.237 0.000 2.137 145 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 145 N C 0.492 176.074 175.510 0.121 0.000 1.017 145 N CA 1.255 54.484 53.050 0.298 0.000 0.859 145 N CB -0.007 38.623 38.487 0.238 0.000 1.002 145 N HN 0.530 nan 8.380 nan 0.000 0.428 146 K N -0.666 119.775 120.400 0.068 0.000 2.417 146 K HA 0.120 4.440 4.320 -0.000 0.000 0.196 146 K C 0.768 177.371 176.600 0.006 0.000 1.023 146 K CA 0.413 56.721 56.287 0.034 0.000 1.122 146 K CB 0.356 32.874 32.500 0.031 0.000 0.850 146 K HN 0.395 nan 8.250 nan 0.000 0.521 147 G N 1.359 110.150 108.800 -0.014 0.000 2.175 147 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 147 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 147 G C -0.296 174.588 174.900 -0.028 0.000 0.982 147 G CA -0.330 44.747 45.100 -0.038 0.000 0.641 147 G HN 0.101 nan 8.290 nan 0.000 0.527 148 K N 1.549 121.942 120.400 -0.011 0.000 2.368 148 K HA 0.391 4.711 4.320 -0.000 0.000 0.282 148 K C 0.414 177.011 176.600 -0.006 0.000 1.035 148 K CA 0.153 56.437 56.287 -0.005 0.000 0.973 148 K CB 1.109 33.613 32.500 0.006 0.000 0.957 148 K HN 0.620 nan 8.250 nan 0.000 0.474 149 E N 1.772 121.966 120.200 -0.011 0.000 2.222 149 E HA 0.425 4.775 4.350 -0.000 0.000 0.267 149 E C -0.621 175.965 176.600 -0.023 0.000 0.963 149 E CA -0.821 55.573 56.400 -0.009 0.000 0.837 149 E CB 2.033 31.725 29.700 -0.013 0.000 1.183 149 E HN 0.298 nan 8.360 nan 0.000 0.403 150 K N 0.777 121.157 120.400 -0.033 0.000 2.542 150 K HA 0.393 4.713 4.320 -0.000 0.000 0.259 150 K C -1.855 174.626 176.600 -0.199 0.000 0.932 150 K CA -0.575 55.624 56.287 -0.147 0.000 0.820 150 K CB 1.976 34.371 32.500 -0.174 0.000 1.345 150 K HN 0.280 nan 8.250 nan 0.000 0.432 151 V N 3.943 123.685 119.914 -0.286 0.000 2.483 151 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 151 V C -1.193 174.739 176.094 -0.271 0.000 1.035 151 V CA -0.494 61.719 62.300 -0.145 0.000 0.896 151 V CB 1.136 32.938 31.823 -0.035 0.000 0.986 151 V HN 0.659 nan 8.190 nan 0.000 0.447 152 Y N 1.396 121.806 120.300 0.183 0.000 2.545 152 Y HA 0.646 5.196 4.550 -0.000 0.000 0.348 152 Y C 0.322 176.415 175.900 0.321 0.000 1.002 152 Y CA -0.738 57.510 58.100 0.246 0.000 1.039 152 Y CB 2.458 41.114 38.460 0.327 0.000 1.271 152 Y HN 0.650 nan 8.280 nan 0.000 0.467 153 S N 1.080 117.075 115.700 0.492 0.000 2.566 153 S HA 0.987 5.457 4.470 -0.000 0.000 0.298 153 S C -0.931 173.924 174.600 0.425 0.000 1.083 153 S CA -0.606 57.900 58.200 0.509 0.000 0.978 153 S CB 2.048 65.510 63.200 0.436 0.000 1.073 153 S HN 1.018 nan 8.310 nan 0.000 0.491 154 A N 0.854 123.856 122.820 0.303 0.000 2.572 154 A HA 0.666 4.986 4.320 -0.000 0.000 0.295 154 A C 0.419 177.771 177.584 -0.387 0.000 1.072 154 A CA -0.611 51.351 52.037 -0.125 0.000 0.691 154 A CB 1.261 19.896 19.000 -0.607 0.000 1.291 154 A HN 0.955 nan 8.150 nan 0.000 0.404 155 E N 0.173 119.975 120.200 -0.662 0.000 2.072 155 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 155 E C 0.347 176.926 176.600 -0.034 0.000 0.982 155 E CA 0.899 56.884 56.400 -0.692 0.000 0.803 155 E CB 0.139 29.560 29.700 -0.466 0.000 0.755 155 E HN 0.559 nan 8.360 nan 0.000 0.453 156 R N -0.951 119.547 120.500 -0.003 0.000 2.837 156 R HA 0.445 4.785 4.340 -0.000 0.000 0.271 156 R C -1.364 174.949 176.300 0.021 0.000 0.993 156 R CA -0.657 55.579 56.100 0.228 0.000 0.931 156 R CB 1.444 31.891 30.300 0.245 0.000 1.206 156 R HN -0.098 nan 8.270 nan 0.000 0.474 157 F N 1.033 121.173 119.950 0.317 0.000 2.565 157 F HA 0.437 4.964 4.527 -0.000 0.000 0.313 157 F C -0.701 175.246 175.800 0.244 0.000 1.091 157 F CA -0.987 57.176 58.000 0.271 0.000 0.915 157 F CB 1.835 41.070 39.000 0.392 0.000 1.208 157 F HN 0.163 nan 8.300 nan 0.000 0.453 158 L N 4.622 126.055 121.223 0.349 0.000 2.325 158 L HA 0.628 4.968 4.340 -0.000 0.000 0.281 158 L C -1.016 175.982 176.870 0.213 0.000 1.004 158 L CA -0.446 54.548 54.840 0.256 0.000 0.823 158 L CB 0.942 43.090 42.059 0.149 0.000 1.236 158 L HN 0.463 nan 8.230 nan 0.000 0.415 159 I N 5.658 126.346 120.570 0.195 0.000 2.337 159 I HA 0.512 4.682 4.170 -0.000 0.000 0.291 159 I C 0.450 176.622 176.117 0.092 0.000 1.046 159 I CA -0.061 61.319 61.300 0.134 0.000 1.324 159 I CB 1.278 39.356 38.000 0.131 0.000 1.409 159 I HN 0.834 nan 8.210 nan 0.000 0.494 160 A N 3.723 126.579 122.820 0.059 0.000 3.365 160 A HA 0.294 4.614 4.320 -0.000 0.000 0.258 160 A C 0.713 178.318 177.584 0.035 0.000 0.964 160 A CA -0.359 51.708 52.037 0.049 0.000 0.988 160 A CB -0.251 18.773 19.000 0.040 0.000 1.193 160 A HN 0.745 nan 8.150 nan 0.000 0.508 161 T N -3.130 111.447 114.554 0.037 0.000 3.060 161 T HA 0.466 4.816 4.350 -0.000 0.000 0.249 161 T C 1.291 176.029 174.700 0.063 0.000 1.079 161 T CA 0.975 63.094 62.100 0.032 0.000 1.013 161 T CB -0.077 68.796 68.868 0.009 0.000 0.975 161 T HN 2.078 nan 8.240 nan 0.000 0.518 162 G N 1.371 110.213 108.800 0.070 0.000 2.645 162 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.246 162 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.246 162 G C -0.778 174.181 174.900 0.099 0.000 1.322 162 G CA -0.132 45.020 45.100 0.087 0.000 0.898 162 G HN 0.663 nan 8.290 nan 0.000 0.573 163 E N -0.400 119.868 120.200 0.114 0.000 2.393 163 E HA 0.767 5.117 4.350 -0.000 0.000 0.265 163 E C -0.306 176.379 176.600 0.141 0.000 0.941 163 E CA -1.156 55.314 56.400 0.117 0.000 0.801 163 E CB 1.681 31.444 29.700 0.105 0.000 1.313 163 E HN 0.451 nan 8.360 nan 0.000 0.435 164 R N 0.501 121.084 120.500 0.138 0.000 2.771 164 R HA 0.453 4.793 4.340 -0.000 0.000 0.274 164 R C -2.741 173.637 176.300 0.130 0.000 0.987 164 R CA -2.601 53.595 56.100 0.161 0.000 0.908 164 R CB 0.913 31.322 30.300 0.182 0.000 1.213 164 R HN 0.317 nan 8.270 nan 0.000 0.468 165 P HA 0.047 nan 4.420 nan 0.000 0.264 165 P C -0.280 177.050 177.300 0.051 0.000 1.183 165 P CA 0.101 63.222 63.100 0.035 0.000 0.763 165 P CB 0.557 32.243 31.700 -0.022 0.000 0.807 166 R N 3.057 123.556 120.500 -0.001 0.000 2.410 166 R HA 0.303 4.643 4.340 -0.000 0.000 0.288 166 R C -0.525 175.741 176.300 -0.056 0.000 1.051 166 R CA -0.260 55.867 56.100 0.045 0.000 1.021 166 R CB 0.251 30.570 30.300 0.032 0.000 1.032 166 R HN 0.377 nan 8.270 nan 0.000 0.481 167 Y N 2.132 122.447 120.300 0.025 0.000 2.545 167 Y HA 0.311 4.861 4.550 -0.000 0.000 0.324 167 Y C 0.427 176.337 175.900 0.017 0.000 1.220 167 Y CA -0.543 57.568 58.100 0.018 0.000 1.290 167 Y CB 0.959 39.428 38.460 0.016 0.000 1.355 167 Y HN 0.383 nan 8.280 nan 0.000 0.516 168 L N 0.007 121.330 121.223 0.168 0.000 2.454 168 L HA 0.416 4.756 4.340 -0.000 0.000 0.256 168 L C 1.214 178.150 176.870 0.110 0.000 1.136 168 L CA -0.383 54.519 54.840 0.104 0.000 0.804 168 L CB 0.401 42.505 42.059 0.075 0.000 1.181 168 L HN 0.862 nan 8.230 nan 0.000 0.469 169 G N 1.369 110.214 108.800 0.074 0.000 3.474 169 G HA2 0.357 4.317 3.960 -0.000 0.000 0.269 169 G HA3 0.357 4.317 3.960 -0.000 0.000 0.269 169 G C -0.016 174.916 174.900 0.053 0.000 1.339 169 G CA -0.052 45.083 45.100 0.059 0.000 1.258 169 G HN 0.475 nan 8.290 nan 0.000 0.560 170 I N -3.804 116.807 120.570 0.067 0.000 2.740 170 I HA 0.628 4.798 4.170 -0.000 0.000 0.303 170 I C -2.816 173.338 176.117 0.062 0.000 1.044 170 I CA -3.432 57.904 61.300 0.061 0.000 1.064 170 I CB 2.389 40.429 38.000 0.066 0.000 1.249 170 I HN -0.266 nan 8.210 nan 0.000 0.433 171 P HA 0.164 nan 4.420 nan 0.000 0.260 171 P C 0.745 178.102 177.300 0.095 0.000 1.185 171 P CA 1.099 64.235 63.100 0.061 0.000 0.763 171 P CB 0.605 32.343 31.700 0.063 0.000 0.776 172 G N 3.587 112.433 108.800 0.078 0.000 2.194 172 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 172 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 172 G C 0.917 175.887 174.900 0.116 0.000 0.987 172 G CA 0.464 45.650 45.100 0.144 0.000 0.635 172 G HN 0.567 nan 8.290 nan 0.000 0.520 173 D N 0.913 121.376 120.400 0.105 0.000 2.117 173 D HA -0.022 4.618 4.640 -0.000 0.000 0.198 173 D C 1.982 178.394 176.300 0.187 0.000 0.982 173 D CA 1.535 55.643 54.000 0.181 0.000 0.828 173 D CB -0.459 40.482 40.800 0.234 0.000 0.967 173 D HN 0.457 nan 8.370 nan 0.000 0.464 174 K N 0.169 120.541 120.400 -0.047 0.000 2.103 174 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 174 K C 2.048 178.540 176.600 -0.180 0.000 1.052 174 K CA 1.260 57.381 56.287 -0.276 0.000 0.945 174 K CB 0.065 32.300 32.500 -0.442 0.000 0.722 174 K HN 0.374 nan 8.250 nan 0.000 0.443 175 E N -0.279 119.752 120.200 -0.280 0.000 2.230 175 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 175 E C 1.102 177.425 176.600 -0.462 0.000 0.987 175 E CA 1.134 57.251 56.400 -0.473 0.000 0.841 175 E CB -0.087 29.162 29.700 -0.753 0.000 0.783 175 E HN 0.395 nan 8.360 nan 0.000 0.481 176 Y N 0.434 120.772 120.300 0.064 0.000 2.526 176 Y HA 0.259 4.809 4.550 -0.000 0.000 0.265 176 Y C 1.327 177.277 175.900 0.083 0.000 1.092 176 Y CA -1.184 56.956 58.100 0.066 0.000 1.277 176 Y CB 0.107 38.598 38.460 0.051 0.000 1.228 176 Y HN -0.041 nan 8.280 nan 0.000 0.507 177 C N 1.955 121.392 119.300 0.228 0.000 2.422 177 C HA 0.661 5.121 4.460 -0.000 0.000 0.364 177 C C 0.551 175.638 174.990 0.163 0.000 1.251 177 C CA -1.034 58.084 59.018 0.168 0.000 2.441 177 C CB 0.127 27.950 27.740 0.139 0.000 2.393 177 C HN 0.337 nan 8.230 nan 0.000 0.606 178 I N 0.233 120.851 120.570 0.081 0.000 2.910 178 I HA 0.832 5.002 4.170 -0.000 0.000 0.310 178 I C 0.019 176.117 176.117 -0.031 0.000 1.043 178 I CA -0.146 61.192 61.300 0.063 0.000 1.053 178 I CB 1.907 39.928 38.000 0.034 0.000 1.242 178 I HN 0.675 nan 8.210 nan 0.000 0.452 179 S N 1.194 116.875 115.700 -0.032 0.000 2.759 179 S HA 0.397 4.867 4.470 -0.000 0.000 0.310 179 S C 1.020 175.569 174.600 -0.086 0.000 1.123 179 S CA 0.004 58.142 58.200 -0.104 0.000 0.959 179 S CB 1.184 64.305 63.200 -0.132 0.000 1.172 179 S HN 0.963 nan 8.310 nan 0.000 0.539 180 S N 0.386 116.029 115.700 -0.094 0.000 2.392 180 S HA -0.226 4.244 4.470 -0.000 0.000 0.232 180 S C 1.086 175.670 174.600 -0.026 0.000 1.041 180 S CA 1.855 59.990 58.200 -0.108 0.000 1.026 180 S CB -1.170 62.059 63.200 0.048 0.000 0.845 180 S HN 0.731 nan 8.310 nan 0.000 0.465 181 D N 1.963 122.403 120.400 0.066 0.000 2.149 181 D HA -0.075 4.565 4.640 -0.000 0.000 0.198 181 D C 1.595 177.985 176.300 0.150 0.000 0.990 181 D CA 1.459 55.539 54.000 0.133 0.000 0.839 181 D CB -0.358 40.647 40.800 0.342 0.000 0.948 181 D HN 0.579 nan 8.370 nan 0.000 0.460 182 D N -0.525 119.937 120.400 0.103 0.000 2.277 182 D HA -0.037 4.602 4.640 -0.000 0.000 0.209 182 D C 2.166 178.472 176.300 0.009 0.000 0.970 182 D CA -0.065 53.992 54.000 0.095 0.000 0.874 182 D CB 0.075 40.929 40.800 0.090 0.000 0.982 182 D HN 0.117 nan 8.370 nan 0.000 0.504 183 L N 0.645 121.787 121.223 -0.135 0.000 2.042 183 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 183 L C 1.648 178.450 176.870 -0.114 0.000 1.076 183 L CA 1.640 56.344 54.840 -0.227 0.000 0.749 183 L CB -0.676 41.086 42.059 -0.495 0.000 0.893 183 L HN -0.146 nan 8.230 nan 0.000 0.432 184 F N -0.801 119.226 119.950 0.128 0.000 2.802 184 F HA 0.064 4.591 4.527 -0.000 0.000 0.300 184 F C 1.944 177.767 175.800 0.038 0.000 1.168 184 F CA 0.656 58.693 58.000 0.062 0.000 1.433 184 F CB -0.749 38.229 39.000 -0.036 0.000 1.115 184 F HN 0.331 nan 8.300 nan 0.000 0.582 185 S N -1.081 114.741 115.700 0.203 0.000 2.937 185 S HA 0.259 4.729 4.470 -0.000 0.000 0.252 185 S C -0.039 174.651 174.600 0.148 0.000 1.022 185 S CA -0.503 57.793 58.200 0.159 0.000 1.079 185 S CB -0.593 62.700 63.200 0.156 0.000 1.035 185 S HN 0.064 nan 8.310 nan 0.000 0.594 186 L N 3.433 124.769 121.223 0.188 0.000 2.584 186 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 186 L C -1.942 174.971 176.870 0.071 0.000 1.195 186 L CA -1.150 53.702 54.840 0.020 0.000 0.920 186 L CB 0.496 42.507 42.059 -0.080 0.000 1.173 186 L HN -0.008 nan 8.230 nan 0.000 0.489 187 P HA -0.008 nan 4.420 nan 0.000 0.237 187 P C -1.552 175.834 177.300 0.144 0.000 1.178 187 P CA 0.855 63.995 63.100 0.067 0.000 0.766 187 P CB -0.105 31.666 31.700 0.119 0.000 0.876 188 Y N -4.314 116.081 120.300 0.159 0.000 2.625 188 Y HA 0.521 5.071 4.550 -0.000 0.000 0.338 188 Y C -0.582 175.128 175.900 -0.317 0.000 1.123 188 Y CA -2.546 55.573 58.100 0.032 0.000 1.046 188 Y CB -0.009 38.446 38.460 -0.009 0.000 1.299 188 Y HN -0.330 nan 8.280 nan 0.000 0.464 189 C N 3.856 123.087 119.300 -0.115 0.000 2.648 189 C HA 0.295 4.755 4.460 -0.000 0.000 0.419 189 C C -1.122 173.659 174.990 -0.347 0.000 1.352 189 C CA -1.236 57.453 59.018 -0.549 0.000 1.816 189 C CB 0.032 27.716 27.740 -0.094 0.000 2.598 189 C HN 0.791 nan 8.230 nan 0.000 0.598 190 P HA 0.114 nan 4.420 nan 0.000 0.221 190 P C 1.055 178.289 177.300 -0.111 0.000 1.145 190 P CA 2.071 64.996 63.100 -0.292 0.000 0.795 190 P CB -0.154 31.303 31.700 -0.405 0.000 0.775 191 G N -0.295 108.439 108.800 -0.109 0.000 2.569 191 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.259 191 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.259 191 G C -0.288 174.602 174.900 -0.016 0.000 1.263 191 G CA -0.230 44.846 45.100 -0.039 0.000 0.928 191 G HN 0.461 nan 8.290 nan 0.000 0.572 192 K N 0.873 121.281 120.400 0.014 0.000 2.436 192 K HA 0.416 4.736 4.320 -0.000 0.000 0.282 192 K C -0.418 176.265 176.600 0.140 0.000 1.044 192 K CA 0.882 57.208 56.287 0.064 0.000 1.028 192 K CB -0.184 32.342 32.500 0.045 0.000 0.919 192 K HN 0.530 nan 8.250 nan 0.000 0.474 193 T N 4.761 119.380 114.554 0.107 0.000 2.861 193 T HA 0.305 4.655 4.350 -0.000 0.000 0.287 193 T C -1.238 173.370 174.700 -0.154 0.000 1.003 193 T CA -0.742 61.352 62.100 -0.011 0.000 0.977 193 T CB 1.183 69.993 68.868 -0.096 0.000 0.996 193 T HN 0.463 nan 8.240 nan 0.000 0.448 194 L N 4.309 125.236 121.223 -0.494 0.000 2.296 194 L HA 0.697 5.037 4.340 -0.000 0.000 0.286 194 L C -0.979 175.642 176.870 -0.416 0.000 1.023 194 L CA -0.449 53.951 54.840 -0.733 0.000 0.812 194 L CB 1.047 42.251 42.059 -1.425 0.000 1.223 194 L HN 0.440 nan 8.230 nan 0.000 0.421 195 V N 6.069 125.787 119.914 -0.327 0.000 2.398 195 V HA 0.454 4.574 4.120 -0.000 0.000 0.286 195 V C -0.238 175.726 176.094 -0.218 0.000 1.026 195 V CA -0.683 61.467 62.300 -0.251 0.000 0.868 195 V CB 1.674 33.358 31.823 -0.233 0.000 0.982 195 V HN 0.524 nan 8.190 nan 0.000 0.443 196 V N 4.563 124.372 119.914 -0.176 0.000 2.370 196 V HA 0.947 5.067 4.120 -0.000 0.000 0.283 196 V C 0.563 176.602 176.094 -0.092 0.000 1.023 196 V CA 0.548 62.774 62.300 -0.124 0.000 0.857 196 V CB 0.793 32.553 31.823 -0.105 0.000 0.985 196 V HN 1.285 nan 8.190 nan 0.000 0.443 197 G N 3.963 112.730 108.800 -0.055 0.000 2.406 197 G HA2 0.474 4.434 3.960 -0.000 0.000 0.680 197 G HA3 0.474 4.434 3.960 -0.000 0.000 0.680 197 G C -0.368 174.528 174.900 -0.007 0.000 1.338 197 G CA -0.027 45.055 45.100 -0.031 0.000 0.941 197 G HN 1.505 nan 8.290 nan 0.000 0.633 198 A N -0.086 122.751 122.820 0.028 0.000 2.543 198 A HA 0.817 5.137 4.320 -0.000 0.000 0.279 198 A C 0.684 178.316 177.584 0.080 0.000 0.917 198 A CA 1.398 53.477 52.037 0.069 0.000 1.036 198 A CB 0.238 19.303 19.000 0.107 0.000 1.227 198 A HN 1.737 nan 8.150 nan 0.000 0.503 199 S N -1.439 114.294 115.700 0.056 0.000 2.561 199 S HA 0.461 4.931 4.470 -0.000 0.000 0.282 199 S C 1.451 176.098 174.600 0.077 0.000 1.123 199 S CA 0.240 58.499 58.200 0.099 0.000 1.011 199 S CB 0.142 63.417 63.200 0.125 0.000 1.244 199 S HN 0.797 nan 8.310 nan 0.000 0.503 200 Y N 0.229 120.572 120.300 0.072 0.000 2.224 200 Y HA -0.010 4.540 4.550 -0.000 0.000 0.289 200 Y C 1.809 177.761 175.900 0.086 0.000 1.146 200 Y CA 1.546 59.675 58.100 0.048 0.000 1.182 200 Y CB -1.328 37.172 38.460 0.066 0.000 0.983 200 Y HN 0.177 nan 8.280 nan 0.000 0.524 201 V N 1.430 121.118 119.914 -0.376 0.000 2.295 201 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 201 V C 2.921 178.977 176.094 -0.063 0.000 1.049 201 V CA 1.932 64.118 62.300 -0.190 0.000 1.024 201 V CB -1.520 30.147 31.823 -0.261 0.000 0.648 201 V HN 0.647 nan 8.190 nan 0.000 0.447 202 A N -0.134 122.637 122.820 -0.082 0.000 1.865 202 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 202 A C 2.218 179.768 177.584 -0.057 0.000 1.191 202 A CA 1.968 53.957 52.037 -0.079 0.000 0.623 202 A CB -0.577 18.384 19.000 -0.064 0.000 0.826 202 A HN 0.496 nan 8.150 nan 0.000 0.444 203 L N -1.001 120.227 121.223 0.008 0.000 2.072 203 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 203 L C 2.618 179.519 176.870 0.052 0.000 1.079 203 L CA 1.435 56.304 54.840 0.047 0.000 0.752 203 L CB -0.729 41.389 42.059 0.100 0.000 0.906 203 L HN 0.479 nan 8.230 nan 0.000 0.436 204 E N -0.291 119.968 120.200 0.098 0.000 2.058 204 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 204 E C 2.329 178.970 176.600 0.069 0.000 0.997 204 E CA 1.808 58.313 56.400 0.174 0.000 0.801 204 E CB -0.186 29.689 29.700 0.292 0.000 0.746 204 E HN 0.542 nan 8.360 nan 0.000 0.450 205 C N 0.576 119.812 119.300 -0.107 0.000 2.453 205 C HA -0.040 4.420 4.460 -0.000 0.000 0.277 205 C C 2.925 177.530 174.990 -0.643 0.000 1.262 205 C CA 0.650 59.303 59.018 -0.609 0.000 1.718 205 C CB -0.978 26.547 27.740 -0.359 0.000 2.031 205 C HN 0.522 nan 8.230 nan 0.000 0.480 206 A N 1.056 123.689 122.820 -0.312 0.000 1.917 206 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 206 A C 2.332 179.807 177.584 -0.180 0.000 1.182 206 A CA 2.267 54.157 52.037 -0.245 0.000 0.633 206 A CB -1.311 17.572 19.000 -0.196 0.000 0.819 206 A HN 0.566 nan 8.150 nan 0.000 0.448 207 G N 0.120 108.864 108.800 -0.092 0.000 2.511 207 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 207 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 207 G C 1.379 176.347 174.900 0.113 0.000 1.218 207 G CA 1.446 46.587 45.100 0.068 0.000 0.788 207 G HN 0.880 nan 8.290 nan 0.000 0.560 208 F N 0.869 120.922 119.950 0.172 0.000 2.407 208 F HA 0.263 4.790 4.527 -0.000 0.000 0.299 208 F C 2.146 178.020 175.800 0.123 0.000 1.097 208 F CA 0.392 58.493 58.000 0.167 0.000 1.422 208 F CB -0.576 38.550 39.000 0.209 0.000 1.067 208 F HN 0.076 nan 8.300 nan 0.000 0.539 209 L N 0.833 121.955 121.223 -0.168 0.000 2.056 209 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 209 L C 2.976 179.875 176.870 0.047 0.000 1.078 209 L CA 1.177 56.017 54.840 -0.000 0.000 0.749 209 L CB -1.210 40.754 42.059 -0.158 0.000 0.901 209 L HN 0.335 nan 8.230 nan 0.000 0.433 210 A N 0.508 123.336 122.820 0.013 0.000 1.877 210 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 210 A C 2.419 180.045 177.584 0.070 0.000 1.186 210 A CA 1.705 53.765 52.037 0.039 0.000 0.620 210 A CB -1.361 17.663 19.000 0.039 0.000 0.822 210 A HN 0.431 nan 8.150 nan 0.000 0.443 211 G N 0.677 109.539 108.800 0.102 0.000 2.462 211 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 211 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 211 G C 1.346 176.271 174.900 0.042 0.000 1.121 211 G CA 1.231 46.387 45.100 0.093 0.000 0.758 211 G HN 0.905 nan 8.290 nan 0.000 0.559 212 I N -3.180 117.410 120.570 0.033 0.000 3.793 212 I HA 0.507 4.677 4.170 -0.000 0.000 0.315 212 I C 1.354 177.480 176.117 0.015 0.000 1.275 212 I CA 0.411 61.651 61.300 -0.100 0.000 1.214 212 I CB 0.158 37.971 38.000 -0.312 0.000 1.018 212 I HN 0.167 nan 8.210 nan 0.000 0.439 213 G N 1.667 110.499 108.800 0.054 0.000 2.143 213 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.175 213 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.175 213 G C -0.165 174.774 174.900 0.065 0.000 1.004 213 G CA -0.307 44.832 45.100 0.064 0.000 0.671 213 G HN 0.317 nan 8.290 nan 0.000 0.512 214 L N 0.563 121.823 121.223 0.061 0.000 2.399 214 L HA 0.544 4.884 4.340 -0.000 0.000 0.265 214 L C 0.305 177.188 176.870 0.021 0.000 1.089 214 L CA -1.020 53.845 54.840 0.041 0.000 0.802 214 L CB 0.920 42.998 42.059 0.032 0.000 1.180 214 L HN 0.115 nan 8.230 nan 0.000 0.454 215 D N 1.728 122.138 120.400 0.016 0.000 2.336 215 D HA 0.284 4.924 4.640 -0.000 0.000 0.249 215 D C -1.064 175.244 176.300 0.014 0.000 1.213 215 D CA -0.015 53.993 54.000 0.014 0.000 0.870 215 D CB 1.051 41.859 40.800 0.013 0.000 1.076 215 D HN 0.082 nan 8.370 nan 0.000 0.483 216 V N 3.589 123.496 119.914 -0.012 0.000 2.656 216 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 216 V C 0.220 176.261 176.094 -0.088 0.000 1.051 216 V CA -0.701 61.565 62.300 -0.057 0.000 0.893 216 V CB 2.240 34.004 31.823 -0.098 0.000 0.999 216 V HN 0.552 nan 8.190 nan 0.000 0.426 217 T N 3.535 118.019 114.554 -0.116 0.000 2.848 217 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 217 T C -0.623 173.898 174.700 -0.299 0.000 0.995 217 T CA -0.415 61.585 62.100 -0.167 0.000 0.970 217 T CB 1.823 70.690 68.868 -0.003 0.000 0.976 217 T HN 0.341 nan 8.240 nan 0.000 0.441 218 V N 4.302 123.952 119.914 -0.440 0.000 2.398 218 V HA 0.508 4.628 4.120 -0.000 0.000 0.286 218 V C -0.097 175.847 176.094 -0.250 0.000 1.026 218 V CA -0.802 61.237 62.300 -0.435 0.000 0.868 218 V CB 1.563 32.943 31.823 -0.739 0.000 0.982 218 V HN 0.887 nan 8.190 nan 0.000 0.443 219 M N 6.421 125.935 119.600 -0.143 0.000 2.101 219 M HA 0.598 5.078 4.480 -0.000 0.000 0.340 219 M C -1.428 174.894 176.300 0.036 0.000 1.057 219 M CA -0.361 54.923 55.300 -0.028 0.000 0.984 219 M CB 1.270 33.846 32.600 -0.040 0.000 1.560 219 M HN 0.440 nan 8.290 nan 0.000 0.435 220 V N 6.041 126.023 119.914 0.114 0.000 2.435 220 V HA 0.382 4.502 4.120 -0.000 0.000 0.290 220 V C 0.899 177.060 176.094 0.112 0.000 1.030 220 V CA -0.579 61.796 62.300 0.124 0.000 0.881 220 V CB 1.347 33.277 31.823 0.179 0.000 0.983 220 V HN 0.997 nan 8.190 nan 0.000 0.445 221 R N 2.240 122.786 120.500 0.078 0.000 2.062 221 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 221 R C 1.650 177.978 176.300 0.047 0.000 1.128 221 R CA 1.809 57.943 56.100 0.057 0.000 0.960 221 R CB 0.238 30.562 30.300 0.040 0.000 0.855 221 R HN 0.937 nan 8.270 nan 0.000 0.432 222 S N -0.655 115.077 115.700 0.053 0.000 4.002 222 S HA 0.230 4.700 4.470 -0.000 0.000 0.167 222 S C 0.639 175.271 174.600 0.053 0.000 0.914 222 S CA -0.426 57.801 58.200 0.044 0.000 1.110 222 S CB -0.311 62.910 63.200 0.034 0.000 1.714 222 S HN 0.271 nan 8.310 nan 0.000 0.858 223 I N 0.649 121.253 120.570 0.056 0.000 2.822 223 I HA 0.641 4.811 4.170 -0.000 0.000 0.312 223 I C -0.983 175.179 176.117 0.074 0.000 1.011 223 I CA -1.430 59.903 61.300 0.055 0.000 1.105 223 I CB 1.149 39.180 38.000 0.051 0.000 1.291 223 I HN 0.347 nan 8.210 nan 0.000 0.474 224 L N 4.074 125.335 121.223 0.064 0.000 2.350 224 L HA 0.344 4.684 4.340 -0.000 0.000 0.275 224 L C 0.127 177.057 176.870 0.100 0.000 1.099 224 L CA -0.846 54.041 54.840 0.080 0.000 0.808 224 L CB 0.857 42.944 42.059 0.048 0.000 1.149 224 L HN 0.650 nan 8.230 nan 0.000 0.442 225 L N 2.028 123.328 121.223 0.127 0.000 3.795 225 L HA -0.229 4.111 4.340 -0.000 0.000 0.489 225 L C 0.828 177.906 176.870 0.347 0.000 1.259 225 L CA 0.238 55.204 54.840 0.210 0.000 0.765 225 L CB -1.244 40.840 42.059 0.042 0.000 1.519 225 L HN 0.691 nan 8.230 nan 0.000 0.842 226 R N 0.870 121.521 120.500 0.252 0.000 2.523 226 R HA 0.204 4.544 4.340 -0.000 0.000 0.281 226 R C 1.470 177.919 176.300 0.247 0.000 0.969 226 R CA 1.427 57.651 56.100 0.207 0.000 1.093 226 R CB 0.207 30.591 30.300 0.141 0.000 0.917 226 R HN 0.562 nan 8.270 nan 0.000 0.408 227 G N 3.364 112.266 108.800 0.169 0.000 2.308 227 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.221 227 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.221 227 G C -0.129 174.774 174.900 0.006 0.000 1.032 227 G CA -0.110 45.024 45.100 0.057 0.000 0.623 227 G HN 0.510 nan 8.290 nan 0.000 0.506 228 F N 2.252 122.288 119.950 0.143 0.000 2.370 228 F HA 0.480 5.007 4.527 -0.000 0.000 0.324 228 F C 0.910 176.799 175.800 0.148 0.000 1.116 228 F CA -0.507 57.612 58.000 0.197 0.000 1.123 228 F CB 0.614 39.778 39.000 0.273 0.000 1.238 228 F HN 0.029 nan 8.300 nan 0.000 0.536 229 D N 2.196 122.816 120.400 0.367 0.000 2.662 229 D HA -0.126 4.514 4.640 -0.000 0.000 0.237 229 D C 0.822 177.167 176.300 0.076 0.000 1.154 229 D CA 0.240 54.327 54.000 0.145 0.000 0.861 229 D CB 0.841 41.624 40.800 -0.029 0.000 1.146 229 D HN 0.487 nan 8.370 nan 0.000 0.518 230 Q N 3.011 122.836 119.800 0.042 0.000 2.224 230 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 230 Q C 1.298 177.274 176.000 -0.040 0.000 0.970 230 Q CA 1.004 56.818 55.803 0.018 0.000 0.865 230 Q CB -0.056 28.695 28.738 0.022 0.000 0.922 230 Q HN 0.638 nan 8.270 nan 0.000 0.445 231 D N -0.451 119.908 120.400 -0.068 0.000 2.149 231 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 231 D C 1.682 177.884 176.300 -0.164 0.000 0.972 231 D CA 0.748 54.683 54.000 -0.109 0.000 0.835 231 D CB 0.230 40.967 40.800 -0.105 0.000 0.966 231 D HN -0.007 nan 8.370 nan 0.000 0.476 232 M N 0.671 120.158 119.600 -0.189 0.000 2.086 232 M HA -0.041 4.439 4.480 -0.000 0.000 0.261 232 M C 2.401 178.501 176.300 -0.334 0.000 1.067 232 M CA 1.359 56.459 55.300 -0.334 0.000 1.116 232 M CB -1.559 30.705 32.600 -0.560 0.000 1.348 232 M HN 0.124 nan 8.290 nan 0.000 0.407 233 A N 0.950 123.641 122.820 -0.214 0.000 1.892 233 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 233 A C 2.058 179.570 177.584 -0.120 0.000 1.188 233 A CA 2.126 54.082 52.037 -0.136 0.000 0.631 233 A CB -0.926 18.058 19.000 -0.026 0.000 0.822 233 A HN 0.524 nan 8.150 nan 0.000 0.447 234 N N -0.145 118.487 118.700 -0.112 0.000 2.166 234 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 234 N C 1.620 177.060 175.510 -0.117 0.000 1.019 234 N CA 1.452 54.434 53.050 -0.114 0.000 0.856 234 N CB -0.319 38.109 38.487 -0.099 0.000 0.993 234 N HN 0.585 nan 8.380 nan 0.000 0.426 235 K N 0.562 120.886 120.400 -0.126 0.000 2.057 235 K HA 0.029 4.349 4.320 -0.000 0.000 0.206 235 K C 2.089 178.669 176.600 -0.033 0.000 1.050 235 K CA 0.678 56.911 56.287 -0.090 0.000 0.935 235 K CB -0.100 32.320 32.500 -0.133 0.000 0.715 235 K HN 0.139 nan 8.250 nan 0.000 0.439 236 I N 0.617 121.146 120.570 -0.069 0.000 2.179 236 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 236 I C 2.487 178.629 176.117 0.043 0.000 1.088 236 I CA 1.442 62.739 61.300 -0.005 0.000 1.357 236 I CB -0.636 37.336 38.000 -0.047 0.000 1.051 236 I HN 0.296 nan 8.210 nan 0.000 0.409 237 G N 0.038 108.801 108.800 -0.062 0.000 2.446 237 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 237 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 237 G C 1.561 176.331 174.900 -0.217 0.000 1.168 237 G CA 0.773 45.744 45.100 -0.214 0.000 0.771 237 G HN 0.392 nan 8.290 nan 0.000 0.551 238 E N -0.881 119.249 120.200 -0.117 0.000 2.106 238 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 238 E C 2.179 178.789 176.600 0.017 0.000 0.984 238 E CA 0.496 56.846 56.400 -0.083 0.000 0.806 238 E CB -0.196 29.471 29.700 -0.056 0.000 0.750 238 E HN 0.556 nan 8.360 nan 0.000 0.458 239 H N 0.411 119.499 119.070 0.030 0.000 2.321 239 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 239 H C 2.069 177.539 175.328 0.235 0.000 1.087 239 H CA 1.521 57.662 56.048 0.155 0.000 1.319 239 H CB 0.011 29.861 29.762 0.146 0.000 1.379 239 H HN 0.169 nan 8.280 nan 0.000 0.501 240 M N 0.360 120.127 119.600 0.279 0.000 2.108 240 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 240 M C 2.443 178.892 176.300 0.248 0.000 1.066 240 M CA 1.950 57.430 55.300 0.300 0.000 1.107 240 M CB -0.196 32.664 32.600 0.433 0.000 1.356 240 M HN 0.307 nan 8.290 nan 0.000 0.406 241 E N 0.674 120.980 120.200 0.176 0.000 2.051 241 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 241 E C 1.666 178.264 176.600 -0.003 0.000 0.991 241 E CA 1.563 58.041 56.400 0.128 0.000 0.799 241 E CB 0.048 29.742 29.700 -0.010 0.000 0.748 241 E HN 0.481 nan 8.360 nan 0.000 0.449 242 E N -1.024 119.107 120.200 -0.115 0.000 2.265 242 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 242 E C 0.291 176.591 176.600 -0.500 0.000 0.996 242 E CA 0.872 57.084 56.400 -0.314 0.000 0.832 242 E CB 0.013 29.469 29.700 -0.407 0.000 0.756 242 E HN 0.421 nan 8.360 nan 0.000 0.491 243 H N -1.496 117.483 119.070 -0.152 0.000 2.474 243 H HA 0.312 4.868 4.556 -0.000 0.000 0.250 243 H C 0.629 175.932 175.328 -0.042 0.000 1.307 243 H CA 0.107 56.076 56.048 -0.132 0.000 1.058 243 H CB 0.826 30.449 29.762 -0.231 0.000 1.693 243 H HN 0.256 nan 8.280 nan 0.000 0.552 244 G N 0.507 109.323 108.800 0.027 0.000 3.922 244 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.208 244 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.208 244 G C 0.264 175.192 174.900 0.046 0.000 1.491 244 G CA -0.278 44.844 45.100 0.037 0.000 1.017 244 G HN 0.292 nan 8.290 nan 0.000 0.603 245 I N 3.319 123.930 120.570 0.068 0.000 2.906 245 I HA 0.139 4.309 4.170 -0.000 0.000 0.301 245 I C 0.871 177.018 176.117 0.050 0.000 1.221 245 I CA 0.940 62.250 61.300 0.017 0.000 1.435 245 I CB 0.388 38.390 38.000 0.003 0.000 1.345 245 I HN 0.245 nan 8.210 nan 0.000 0.558 246 K N 6.500 126.866 120.400 -0.056 0.000 2.130 246 K HA 0.589 4.909 4.320 -0.000 0.000 0.268 246 K C -1.048 175.479 176.600 -0.121 0.000 0.983 246 K CA -0.529 55.770 56.287 0.020 0.000 0.893 246 K CB 1.206 33.713 32.500 0.010 0.000 1.066 246 K HN 0.206 nan 8.250 nan 0.000 0.450 247 F N 1.934 121.884 119.950 0.000 0.000 2.507 247 F HA 0.422 4.949 4.527 -0.000 0.000 0.325 247 F C 0.014 175.818 175.800 0.008 0.000 1.116 247 F CA -0.830 57.173 58.000 0.005 0.000 0.930 247 F CB 1.194 40.200 39.000 0.011 0.000 1.146 247 F HN 0.230 nan 8.300 nan 0.000 0.447 248 I N 5.155 125.807 120.570 0.137 0.000 2.328 248 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 248 I C -0.364 175.883 176.117 0.216 0.000 1.012 248 I CA -0.840 60.522 61.300 0.104 0.000 1.195 248 I CB 0.656 38.636 38.000 -0.035 0.000 1.350 248 I HN 0.361 nan 8.210 nan 0.000 0.464 249 R N 4.973 125.626 120.500 0.256 0.000 2.349 249 R HA 0.353 4.693 4.340 -0.000 0.000 0.299 249 R C -0.218 176.261 176.300 0.298 0.000 1.027 249 R CA -0.747 55.499 56.100 0.242 0.000 0.958 249 R CB 0.847 31.244 30.300 0.161 0.000 1.047 249 R HN 0.548 nan 8.270 nan 0.000 0.468 250 Q N 0.644 120.548 119.800 0.174 0.000 2.453 250 Q HA -0.215 4.125 4.340 -0.000 0.000 0.330 250 Q C -1.331 174.595 176.000 -0.122 0.000 1.417 250 Q CA 0.913 56.733 55.803 0.029 0.000 0.902 250 Q CB -1.361 27.346 28.738 -0.052 0.000 1.154 250 Q HN 0.433 nan 8.270 nan 0.000 0.395 251 F N -1.217 118.750 119.950 0.029 0.000 2.601 251 F HA 0.725 5.252 4.527 -0.000 0.000 0.309 251 F C -0.148 175.662 175.800 0.016 0.000 1.089 251 F CA -1.008 57.006 58.000 0.024 0.000 0.940 251 F CB 1.904 40.920 39.000 0.027 0.000 1.273 251 F HN -0.142 nan 8.300 nan 0.000 0.450 252 V N 3.743 123.767 119.914 0.183 0.000 2.638 252 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 252 V C -2.320 173.846 176.094 0.121 0.000 1.052 252 V CA -2.018 60.348 62.300 0.109 0.000 0.885 252 V CB 2.295 34.150 31.823 0.054 0.000 0.999 252 V HN 0.455 nan 8.190 nan 0.000 0.424 253 P HA 0.173 nan 4.420 nan 0.000 0.269 253 P C 0.417 177.762 177.300 0.074 0.000 1.209 253 P CA 0.134 63.281 63.100 0.078 0.000 0.776 253 P CB 0.964 32.691 31.700 0.044 0.000 0.876 254 T N -0.759 113.842 114.554 0.078 0.000 3.026 254 T HA 0.159 4.509 4.350 -0.000 0.000 0.245 254 T C 0.493 175.233 174.700 0.066 0.000 1.004 254 T CA 0.173 62.313 62.100 0.067 0.000 1.069 254 T CB 0.085 68.993 68.868 0.066 0.000 1.005 254 T HN 0.556 nan 8.240 nan 0.000 0.472 255 K N 0.397 120.840 120.400 0.071 0.000 2.532 255 K HA 0.693 5.013 4.320 -0.000 0.000 0.265 255 K C -2.159 174.493 176.600 0.087 0.000 0.948 255 K CA -1.105 55.228 56.287 0.078 0.000 0.842 255 K CB 1.703 34.245 32.500 0.070 0.000 1.392 255 K HN 0.009 nan 8.250 nan 0.000 0.436 256 I N 1.979 122.617 120.570 0.114 0.000 2.418 256 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 256 I C -0.821 175.378 176.117 0.136 0.000 1.008 256 I CA -0.260 61.114 61.300 0.124 0.000 1.104 256 I CB 1.885 39.984 38.000 0.165 0.000 1.264 256 I HN 0.649 nan 8.210 nan 0.000 0.438 257 E N 5.351 125.565 120.200 0.024 0.000 2.238 257 E HA 0.477 4.827 4.350 -0.000 0.000 0.267 257 E C -1.066 175.357 176.600 -0.294 0.000 0.887 257 E CA -1.119 55.235 56.400 -0.077 0.000 0.769 257 E CB 1.899 31.588 29.700 -0.019 0.000 1.187 257 E HN 0.485 nan 8.360 nan 0.000 0.416 258 Q N 2.595 122.029 119.800 -0.609 0.000 2.288 258 Q HA 0.192 4.532 4.340 -0.000 0.000 0.258 258 Q C -0.019 175.812 176.000 -0.281 0.000 0.957 258 Q CA -0.067 55.364 55.803 -0.620 0.000 0.919 258 Q CB 0.830 28.987 28.738 -0.969 0.000 1.185 258 Q HN 0.777 nan 8.270 nan 0.000 0.408 259 I N 2.548 123.002 120.570 -0.194 0.000 3.035 259 I HA 0.115 4.285 4.170 -0.000 0.000 0.271 259 I C 0.363 176.418 176.117 -0.104 0.000 1.190 259 I CA 0.503 61.730 61.300 -0.122 0.000 1.472 259 I CB 0.414 38.356 38.000 -0.097 0.000 1.116 259 I HN 0.677 nan 8.210 nan 0.000 0.443 260 E N 0.370 120.499 120.200 -0.117 0.000 2.451 260 E HA 0.509 4.859 4.350 -0.000 0.000 0.295 260 E C -1.250 175.296 176.600 -0.090 0.000 0.966 260 E CA -0.535 55.813 56.400 -0.087 0.000 0.808 260 E CB 1.521 31.176 29.700 -0.075 0.000 1.242 260 E HN 0.089 nan 8.360 nan 0.000 0.412 261 A N 2.156 124.940 122.820 -0.061 0.000 2.313 261 A HA 0.909 5.229 4.320 -0.000 0.000 0.261 261 A C 0.497 178.038 177.584 -0.070 0.000 1.090 261 A CA 0.641 52.651 52.037 -0.045 0.000 0.807 261 A CB 0.809 19.807 19.000 -0.004 0.000 1.055 261 A HN 0.838 nan 8.150 nan 0.000 0.492 262 G N -1.502 107.239 108.800 -0.098 0.000 2.320 262 G HA2 0.523 4.483 3.960 -0.000 0.000 0.297 262 G HA3 0.523 4.483 3.960 -0.000 0.000 0.297 262 G C -0.637 174.083 174.900 -0.300 0.000 1.344 262 G CA 0.190 45.198 45.100 -0.154 0.000 0.851 262 G HN 1.708 nan 8.290 nan 0.000 0.567 263 T N -0.448 113.865 114.554 -0.402 0.000 3.418 263 T HA 0.646 4.996 4.350 -0.000 0.000 0.315 263 T C -2.641 171.625 174.700 -0.724 0.000 1.447 263 T CA -1.064 60.521 62.100 -0.857 0.000 1.641 263 T CB 1.576 70.195 68.868 -0.415 0.000 0.904 263 T HN 0.553 nan 8.240 nan 0.000 0.640 264 P HA 0.513 nan 4.420 nan 0.000 0.279 264 P C 0.672 177.792 177.300 -0.300 0.000 1.252 264 P CA -0.089 62.668 63.100 -0.572 0.000 0.811 264 P CB 1.280 32.850 31.700 -0.216 0.000 1.035 265 G N 1.738 110.407 108.800 -0.218 0.000 2.582 265 G HA2 0.428 4.388 3.960 -0.000 0.000 0.232 265 G HA3 0.428 4.388 3.960 -0.000 0.000 0.232 265 G C -0.615 174.226 174.900 -0.098 0.000 1.458 265 G CA -0.728 44.291 45.100 -0.135 0.000 1.062 265 G HN 0.461 nan 8.290 nan 0.000 0.566 266 R N -1.082 119.362 120.500 -0.093 0.000 2.561 266 R HA 0.543 4.883 4.340 -0.000 0.000 0.297 266 R C -1.129 175.116 176.300 -0.091 0.000 0.969 266 R CA -0.447 55.606 56.100 -0.079 0.000 0.879 266 R CB 1.988 32.238 30.300 -0.083 0.000 1.178 266 R HN 0.256 nan 8.270 nan 0.000 0.445 267 L N 2.058 123.255 121.223 -0.044 0.000 2.365 267 L HA 0.543 4.882 4.340 -0.000 0.000 0.273 267 L C -0.398 176.480 176.870 0.013 0.000 1.000 267 L CA -0.851 53.964 54.840 -0.042 0.000 0.819 267 L CB 2.153 44.220 42.059 0.012 0.000 1.284 267 L HN 0.382 nan 8.230 nan 0.000 0.418 268 K N 2.481 122.873 120.400 -0.014 0.000 2.293 268 K HA 0.573 4.893 4.320 -0.000 0.000 0.267 268 K C -1.384 175.258 176.600 0.069 0.000 1.010 268 K CA -0.482 55.814 56.287 0.015 0.000 0.875 268 K CB 1.592 34.078 32.500 -0.024 0.000 1.106 268 K HN 0.378 nan 8.250 nan 0.000 0.450 269 V N 3.575 123.575 119.914 0.144 0.000 2.435 269 V HA 0.312 4.432 4.120 -0.000 0.000 0.290 269 V C -0.229 175.930 176.094 0.107 0.000 1.030 269 V CA -0.591 61.794 62.300 0.141 0.000 0.881 269 V CB 1.813 33.748 31.823 0.187 0.000 0.983 269 V HN 0.805 nan 8.190 nan 0.000 0.445 270 T N 4.018 118.621 114.554 0.083 0.000 2.823 270 T HA 0.799 5.149 4.350 -0.000 0.000 0.279 270 T C -0.200 174.557 174.700 0.095 0.000 0.998 270 T CA -0.371 61.775 62.100 0.076 0.000 0.994 270 T CB 1.705 70.611 68.868 0.064 0.000 0.960 270 T HN 0.957 nan 8.240 nan 0.000 0.448 271 A N 2.712 125.606 122.820 0.122 0.000 2.475 271 A HA 0.796 5.116 4.320 -0.000 0.000 0.301 271 A C -0.771 177.002 177.584 0.314 0.000 1.059 271 A CA -0.929 51.230 52.037 0.203 0.000 0.710 271 A CB 1.595 20.728 19.000 0.221 0.000 1.288 271 A HN 0.726 nan 8.150 nan 0.000 0.408 272 K N 1.121 121.679 120.400 0.264 0.000 2.182 272 K HA 0.518 4.838 4.320 -0.000 0.000 0.262 272 K C 0.358 176.901 176.600 -0.095 0.000 0.957 272 K CA -0.293 56.085 56.287 0.151 0.000 0.842 272 K CB 1.396 33.928 32.500 0.053 0.000 1.099 272 K HN 0.827 nan 8.250 nan 0.000 0.438 273 S N 1.962 117.381 115.700 -0.468 0.000 2.550 273 S HA -0.059 4.411 4.470 -0.000 0.000 0.285 273 S C 0.870 175.212 174.600 -0.431 0.000 1.326 273 S CA 0.317 57.951 58.200 -0.943 0.000 1.037 273 S CB 0.645 63.446 63.200 -0.665 0.000 0.838 273 S HN 0.734 nan 8.310 nan 0.000 0.519 274 T N 2.648 116.966 114.554 -0.394 0.000 3.014 274 T HA 0.021 4.371 4.350 -0.000 0.000 0.263 274 T C 1.295 175.915 174.700 -0.134 0.000 1.078 274 T CA 1.303 63.288 62.100 -0.192 0.000 1.135 274 T CB -0.342 68.442 68.868 -0.140 0.000 0.895 274 T HN 0.878 nan 8.240 nan 0.000 0.480 275 N N 0.023 118.632 118.700 -0.151 0.000 2.325 275 N HA 0.111 4.851 4.740 -0.000 0.000 0.220 275 N C 0.897 176.357 175.510 -0.083 0.000 1.176 275 N CA 0.112 53.105 53.050 -0.094 0.000 0.861 275 N CB 0.183 38.625 38.487 -0.074 0.000 1.230 275 N HN 0.294 nan 8.380 nan 0.000 0.479 276 S N -0.427 115.206 115.700 -0.110 0.000 2.561 276 S HA 0.442 4.912 4.470 -0.000 0.000 0.282 276 S C 0.571 175.130 174.600 -0.070 0.000 1.123 276 S CA -0.299 57.856 58.200 -0.074 0.000 1.011 276 S CB 1.221 64.387 63.200 -0.057 0.000 1.244 276 S HN -0.049 nan 8.310 nan 0.000 0.503 277 E N 0.109 120.287 120.200 -0.037 0.000 2.511 277 E HA 0.304 4.653 4.350 -0.000 0.000 0.209 277 E C 0.135 176.742 176.600 0.011 0.000 0.986 277 E CA -0.182 56.209 56.400 -0.015 0.000 0.974 277 E CB 0.004 29.703 29.700 -0.003 0.000 1.030 277 E HN 0.655 nan 8.360 nan 0.000 0.490 278 E N 0.136 120.348 120.200 0.021 0.000 2.467 278 E HA -0.007 4.343 4.350 -0.000 0.000 0.264 278 E C -0.628 176.074 176.600 0.171 0.000 1.020 278 E CA 0.731 57.189 56.400 0.097 0.000 0.945 278 E CB 0.566 30.353 29.700 0.145 0.000 0.942 278 E HN -0.047 nan 8.360 nan 0.000 0.449 279 T N 3.560 118.225 114.554 0.185 0.000 2.876 279 T HA 0.542 4.892 4.350 -0.000 0.000 0.289 279 T C -0.631 174.161 174.700 0.154 0.000 1.014 279 T CA -0.639 61.575 62.100 0.189 0.000 0.986 279 T CB 0.532 69.462 68.868 0.104 0.000 1.021 279 T HN 0.438 nan 8.240 nan 0.000 0.458 280 I N 0.115 120.756 120.570 0.119 0.000 2.730 280 I HA 0.786 4.956 4.170 -0.000 0.000 0.298 280 I C -0.859 175.257 176.117 -0.002 0.000 1.089 280 I CA -1.046 60.245 61.300 -0.014 0.000 1.041 280 I CB 2.585 40.458 38.000 -0.212 0.000 1.235 280 I HN 0.454 nan 8.210 nan 0.000 0.423 281 E N 2.763 122.952 120.200 -0.019 0.000 2.248 281 E HA 0.577 4.927 4.350 -0.000 0.000 0.267 281 E C -1.632 174.945 176.600 -0.040 0.000 0.877 281 E CA -0.694 55.702 56.400 -0.006 0.000 0.759 281 E CB 2.631 32.324 29.700 -0.012 0.000 1.182 281 E HN 0.581 nan 8.360 nan 0.000 0.418 282 D N 1.087 121.471 120.400 -0.027 0.000 2.583 282 D HA 0.149 4.789 4.640 -0.000 0.000 0.248 282 D C -1.586 174.554 176.300 -0.266 0.000 1.209 282 D CA -0.557 53.332 54.000 -0.185 0.000 0.848 282 D CB 1.690 42.329 40.800 -0.269 0.000 1.431 282 D HN 0.474 nan 8.370 nan 0.000 0.436 283 E N 0.679 120.583 120.200 -0.493 0.000 2.207 283 E HA 0.646 4.996 4.350 -0.000 0.000 0.270 283 E C -1.295 174.837 176.600 -0.779 0.000 0.927 283 E CA -0.599 55.544 56.400 -0.428 0.000 0.799 283 E CB 1.522 31.095 29.700 -0.213 0.000 1.172 283 E HN 0.227 nan 8.360 nan 0.000 0.404 284 F N 1.118 121.029 119.950 -0.064 0.000 2.613 284 F HA 0.338 4.865 4.527 -0.000 0.000 0.314 284 F C 1.060 176.821 175.800 -0.065 0.000 1.075 284 F CA -1.032 56.929 58.000 -0.064 0.000 0.945 284 F CB 1.816 40.779 39.000 -0.061 0.000 1.310 284 F HN 0.416 nan 8.300 nan 0.000 0.467 285 N N -0.292 118.488 118.700 0.134 0.000 2.333 285 N HA 0.041 4.781 4.740 -0.000 0.000 0.178 285 N C -0.182 175.363 175.510 0.057 0.000 1.018 285 N CA 0.946 54.024 53.050 0.046 0.000 0.882 285 N CB 0.291 38.781 38.487 0.006 0.000 0.984 285 N HN 0.486 nan 8.380 nan 0.000 0.434 286 T N 0.383 114.982 114.554 0.076 0.000 2.993 286 T HA 0.398 4.748 4.350 -0.000 0.000 0.312 286 T C -0.875 173.806 174.700 -0.032 0.000 1.115 286 T CA -0.500 61.620 62.100 0.033 0.000 1.027 286 T CB 2.888 71.755 68.868 -0.001 0.000 1.116 286 T HN -0.357 nan 8.240 nan 0.000 0.464 287 V N 4.014 123.905 119.914 -0.038 0.000 2.378 287 V HA 0.531 4.651 4.120 -0.000 0.000 0.288 287 V C -0.494 175.542 176.094 -0.096 0.000 1.016 287 V CA -0.817 61.410 62.300 -0.122 0.000 0.840 287 V CB 1.350 33.119 31.823 -0.090 0.000 0.994 287 V HN 0.730 nan 8.190 nan 0.000 0.431 288 L N 7.010 128.144 121.223 -0.150 0.000 2.272 288 L HA 0.574 4.914 4.340 -0.000 0.000 0.289 288 L C -0.623 176.152 176.870 -0.158 0.000 1.032 288 L CA 0.175 54.929 54.840 -0.144 0.000 0.810 288 L CB 0.935 42.894 42.059 -0.168 0.000 1.205 288 L HN 0.525 nan 8.230 nan 0.000 0.422 289 L N 6.292 127.417 121.223 -0.163 0.000 2.257 289 L HA 0.642 4.982 4.340 -0.000 0.000 0.290 289 L C 0.214 176.969 176.870 -0.192 0.000 1.044 289 L CA -0.448 54.279 54.840 -0.189 0.000 0.810 289 L CB 1.295 43.196 42.059 -0.264 0.000 1.193 289 L HN 0.857 nan 8.230 nan 0.000 0.425 290 A N 4.137 126.865 122.820 -0.152 0.000 3.159 290 A HA 0.501 4.821 4.320 -0.000 0.000 0.330 290 A C 0.149 177.668 177.584 -0.109 0.000 1.032 290 A CA -0.346 51.610 52.037 -0.136 0.000 0.841 290 A CB 0.380 19.303 19.000 -0.128 0.000 1.093 290 A HN 0.534 nan 8.150 nan 0.000 0.478 291 V N -1.374 118.477 119.914 -0.105 0.000 2.854 291 V HA 0.696 4.816 4.120 -0.000 0.000 0.366 291 V C 0.468 176.539 176.094 -0.038 0.000 1.322 291 V CA 0.017 62.279 62.300 -0.063 0.000 1.243 291 V CB -0.781 31.008 31.823 -0.056 0.000 1.337 291 V HN 1.994 nan 8.190 nan 0.000 0.585 292 G N 1.037 109.811 108.800 -0.044 0.000 2.603 292 G HA2 0.018 3.978 3.960 -0.000 0.000 0.686 292 G HA3 0.018 3.978 3.960 -0.000 0.000 0.686 292 G C -0.781 174.117 174.900 -0.003 0.000 1.286 292 G CA -0.638 44.455 45.100 -0.012 0.000 0.871 292 G HN 0.720 nan 8.290 nan 0.000 0.568 293 R N 0.149 120.666 120.500 0.029 0.000 2.795 293 R HA 0.638 4.978 4.340 -0.000 0.000 0.275 293 R C -1.687 174.652 176.300 0.066 0.000 0.981 293 R CA -1.062 55.068 56.100 0.051 0.000 0.917 293 R CB 2.156 32.495 30.300 0.064 0.000 1.202 293 R HN 0.511 nan 8.270 nan 0.000 0.469 294 D N 0.698 121.146 120.400 0.079 0.000 2.256 294 D HA 0.229 4.869 4.640 -0.000 0.000 0.246 294 D C -0.418 175.933 176.300 0.084 0.000 1.042 294 D CA -0.336 53.711 54.000 0.078 0.000 0.841 294 D CB 2.045 42.894 40.800 0.082 0.000 1.223 294 D HN 0.262 nan 8.370 nan 0.000 0.470 295 S N 0.780 116.524 115.700 0.073 0.000 2.549 295 S HA 0.039 4.509 4.470 -0.000 0.000 0.286 295 S C 0.318 174.966 174.600 0.080 0.000 1.314 295 S CA -0.343 57.901 58.200 0.073 0.000 1.062 295 S CB 0.217 63.451 63.200 0.057 0.000 0.865 295 S HN 0.450 nan 8.310 nan 0.000 0.498 296 C N 3.897 123.250 119.300 0.088 0.000 2.615 296 C HA 0.310 4.770 4.460 -0.000 0.000 0.503 296 C C 1.833 176.872 174.990 0.081 0.000 1.039 296 C CA -0.582 58.495 59.018 0.099 0.000 1.226 296 C CB -2.217 25.593 27.740 0.116 0.000 1.447 296 C HN 1.038 nan 8.230 nan 0.000 0.572 297 T N -2.775 111.824 114.554 0.074 0.000 3.087 297 T HA 0.092 4.442 4.350 -0.000 0.000 0.283 297 T C 1.593 176.331 174.700 0.064 0.000 0.956 297 T CA -0.227 61.910 62.100 0.062 0.000 0.894 297 T CB -0.019 68.877 68.868 0.046 0.000 1.160 297 T HN 0.418 nan 8.240 nan 0.000 0.532 298 R N 2.201 122.744 120.500 0.070 0.000 2.161 298 R HA 0.112 4.452 4.340 -0.000 0.000 0.213 298 R C 1.730 178.074 176.300 0.073 0.000 1.055 298 R CA 1.524 57.660 56.100 0.061 0.000 0.996 298 R CB -0.689 29.643 30.300 0.054 0.000 0.901 298 R HN 0.647 nan 8.270 nan 0.000 0.456 299 T N -1.867 112.751 114.554 0.107 0.000 3.266 299 T HA 0.272 4.622 4.350 -0.000 0.000 0.278 299 T C 1.170 175.984 174.700 0.190 0.000 1.010 299 T CA -0.485 61.693 62.100 0.130 0.000 0.909 299 T CB -0.510 68.434 68.868 0.127 0.000 1.122 299 T HN 0.285 nan 8.240 nan 0.000 0.536 300 I N -2.499 118.150 120.570 0.132 0.000 3.927 300 I HA 0.643 4.813 4.170 -0.000 0.000 0.332 300 I C 1.187 177.386 176.117 0.136 0.000 1.485 300 I CA -0.583 60.769 61.300 0.087 0.000 1.131 300 I CB -0.422 37.579 38.000 0.001 0.000 1.092 300 I HN 0.240 nan 8.210 nan 0.000 0.410 301 G N 2.211 111.090 108.800 0.130 0.000 2.221 301 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.265 301 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.265 301 G C 0.580 175.561 174.900 0.135 0.000 1.041 301 G CA 0.557 45.737 45.100 0.133 0.000 0.807 301 G HN 0.507 nan 8.290 nan 0.000 0.502 302 L N -0.768 120.508 121.223 0.089 0.000 2.131 302 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 302 L C 2.803 179.630 176.870 -0.073 0.000 1.092 302 L CA 1.997 56.825 54.840 -0.021 0.000 0.759 302 L CB -0.368 41.678 42.059 -0.022 0.000 0.903 302 L HN 0.428 nan 8.230 nan 0.000 0.435 303 E N -0.297 119.887 120.200 -0.026 0.000 2.097 303 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 303 E C 2.035 178.609 176.600 -0.044 0.000 1.000 303 E CA 1.867 58.248 56.400 -0.032 0.000 0.804 303 E CB -0.931 28.764 29.700 -0.008 0.000 0.740 303 E HN 0.522 nan 8.360 nan 0.000 0.454 304 T N -1.685 112.852 114.554 -0.028 0.000 3.072 304 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 304 T C 1.471 176.132 174.700 -0.065 0.000 1.127 304 T CA 0.917 63.007 62.100 -0.017 0.000 1.107 304 T CB -0.175 68.713 68.868 0.034 0.000 0.910 304 T HN 0.171 nan 8.240 nan 0.000 0.513 305 V N -3.816 115.998 119.914 -0.167 0.000 3.432 305 V HA 0.686 4.806 4.120 -0.000 0.000 0.298 305 V C 1.597 177.549 176.094 -0.237 0.000 1.464 305 V CA -0.159 61.987 62.300 -0.257 0.000 1.046 305 V CB -0.577 30.877 31.823 -0.614 0.000 0.887 305 V HN 0.561 nan 8.190 nan 0.000 0.441 306 G N 1.087 109.780 108.800 -0.178 0.000 2.160 306 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 306 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 306 G C 0.020 174.815 174.900 -0.176 0.000 1.022 306 G CA 0.165 45.180 45.100 -0.142 0.000 0.741 306 G HN 0.771 nan 8.290 nan 0.000 0.508 307 V N 0.691 120.472 119.914 -0.221 0.000 2.488 307 V HA 0.268 4.388 4.120 -0.000 0.000 0.277 307 V C 0.964 176.979 176.094 -0.131 0.000 1.046 307 V CA -0.047 62.127 62.300 -0.211 0.000 0.986 307 V CB 1.291 32.959 31.823 -0.258 0.000 0.989 307 V HN 0.338 nan 8.190 nan 0.000 0.475 308 K N 5.821 126.154 120.400 -0.111 0.000 2.276 308 K HA 0.551 4.871 4.320 -0.000 0.000 0.283 308 K C -0.274 176.288 176.600 -0.062 0.000 1.044 308 K CA -0.193 56.049 56.287 -0.076 0.000 0.944 308 K CB 1.116 33.575 32.500 -0.068 0.000 1.012 308 K HN 0.729 nan 8.250 nan 0.000 0.472 309 I N -0.803 119.741 120.570 -0.043 0.000 2.797 309 I HA 0.362 4.532 4.170 -0.000 0.000 0.307 309 I C -0.218 175.886 176.117 -0.022 0.000 1.033 309 I CA -1.084 60.198 61.300 -0.029 0.000 1.071 309 I CB 1.692 39.683 38.000 -0.015 0.000 1.255 309 I HN 0.385 nan 8.210 nan 0.000 0.445 310 N N 3.557 122.247 118.700 -0.017 0.000 2.416 310 N HA -0.001 4.739 4.740 -0.000 0.000 0.265 310 N C 0.702 176.210 175.510 -0.004 0.000 1.195 310 N CA 0.268 53.310 53.050 -0.012 0.000 0.943 310 N CB 0.818 39.298 38.487 -0.011 0.000 1.115 310 N HN 0.662 nan 8.380 nan 0.000 0.481 311 E N 3.656 123.853 120.200 -0.004 0.000 2.051 311 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 311 E C 1.340 177.944 176.600 0.007 0.000 0.991 311 E CA 1.008 57.409 56.400 0.001 0.000 0.799 311 E CB 0.030 29.729 29.700 -0.001 0.000 0.748 311 E HN 0.656 nan 8.360 nan 0.000 0.449 312 K N 0.291 120.694 120.400 0.005 0.000 1.991 312 K HA -0.135 4.185 4.320 -0.000 0.000 0.212 312 K C 2.223 178.832 176.600 0.015 0.000 1.049 312 K CA 2.158 58.451 56.287 0.010 0.000 0.932 312 K CB -0.206 32.298 32.500 0.007 0.000 0.717 312 K HN 0.267 nan 8.250 nan 0.000 0.441 313 T N -3.547 111.014 114.554 0.013 0.000 3.014 313 T HA 0.111 4.461 4.350 -0.000 0.000 0.263 313 T C 1.477 176.191 174.700 0.023 0.000 1.078 313 T CA 1.150 63.261 62.100 0.018 0.000 1.135 313 T CB 0.070 68.946 68.868 0.014 0.000 0.895 313 T HN 0.475 nan 8.240 nan 0.000 0.480 314 G N 1.495 110.306 108.800 0.019 0.000 2.199 314 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 314 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 314 G C 0.159 175.072 174.900 0.021 0.000 0.982 314 G CA 0.152 45.266 45.100 0.024 0.000 0.632 314 G HN 0.636 nan 8.290 nan 0.000 0.529 315 K N 0.342 120.750 120.400 0.014 0.000 2.168 315 K HA 0.524 4.844 4.320 -0.000 0.000 0.258 315 K C 0.616 177.213 176.600 -0.004 0.000 1.010 315 K CA -0.280 56.012 56.287 0.009 0.000 0.929 315 K CB 1.038 33.539 32.500 0.003 0.000 0.998 315 K HN 0.342 nan 8.250 nan 0.000 0.479 316 I N 3.719 124.285 120.570 -0.008 0.000 2.312 316 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 316 I C -2.156 173.940 176.117 -0.036 0.000 1.008 316 I CA -2.459 58.828 61.300 -0.022 0.000 1.226 316 I CB 1.447 39.437 38.000 -0.017 0.000 1.371 316 I HN 0.161 nan 8.210 nan 0.000 0.468 317 P HA 0.177 nan 4.420 nan 0.000 0.271 317 P C -0.715 176.549 177.300 -0.061 0.000 1.218 317 P CA -0.084 62.983 63.100 -0.054 0.000 0.780 317 P CB 1.146 32.815 31.700 -0.052 0.000 0.901 318 V N 1.650 121.527 119.914 -0.062 0.000 3.012 318 V HA 0.363 4.483 4.120 -0.000 0.000 0.307 318 V C 0.185 176.251 176.094 -0.046 0.000 1.166 318 V CA -0.500 61.767 62.300 -0.055 0.000 0.974 318 V CB 2.442 34.245 31.823 -0.034 0.000 1.040 318 V HN 0.743 nan 8.190 nan 0.000 0.428 319 T N 0.340 114.873 114.554 -0.035 0.000 2.748 319 T HA 0.083 4.433 4.350 -0.000 0.000 0.304 319 T C 1.014 175.724 174.700 0.016 0.000 1.041 319 T CA 0.426 62.517 62.100 -0.014 0.000 1.033 319 T CB 0.474 69.337 68.868 -0.009 0.000 0.995 319 T HN 0.869 nan 8.240 nan 0.000 0.536 320 D N -0.548 119.868 120.400 0.027 0.000 2.403 320 D HA -0.119 4.521 4.640 -0.000 0.000 0.227 320 D C 0.884 177.242 176.300 0.097 0.000 0.995 320 D CA 0.739 54.776 54.000 0.062 0.000 0.928 320 D CB -0.247 40.587 40.800 0.056 0.000 0.887 320 D HN 0.861 nan 8.370 nan 0.000 0.529 321 E N -0.196 120.061 120.200 0.094 0.000 2.558 321 E HA 0.095 4.445 4.350 -0.000 0.000 0.205 321 E C -0.460 176.255 176.600 0.193 0.000 1.006 321 E CA -0.231 56.243 56.400 0.123 0.000 0.961 321 E CB 0.339 30.111 29.700 0.120 0.000 1.044 321 E HN 0.044 nan 8.360 nan 0.000 0.465 322 E N 0.547 120.847 120.200 0.166 0.000 3.070 322 E HA -0.237 4.113 4.350 -0.000 0.000 0.285 322 E C -0.203 176.540 176.600 0.239 0.000 0.972 322 E CA 0.623 57.140 56.400 0.196 0.000 0.915 322 E CB -1.155 28.672 29.700 0.213 0.000 1.466 322 E HN 0.278 nan 8.360 nan 0.000 0.432 323 Q N 0.837 120.682 119.800 0.076 0.000 2.261 323 Q HA 0.339 4.679 4.340 -0.000 0.000 0.252 323 Q C 0.523 176.377 176.000 -0.244 0.000 0.915 323 Q CA 0.244 55.860 55.803 -0.311 0.000 0.915 323 Q CB 0.862 29.419 28.738 -0.302 0.000 1.204 323 Q HN 0.302 nan 8.270 nan 0.000 0.421 324 T N 0.158 114.516 114.554 -0.327 0.000 2.729 324 T HA 0.047 4.397 4.350 -0.000 0.000 0.298 324 T C 1.326 175.890 174.700 -0.227 0.000 1.013 324 T CA -0.071 61.888 62.100 -0.234 0.000 0.957 324 T CB 0.345 69.064 68.868 -0.248 0.000 1.130 324 T HN 0.802 nan 8.240 nan 0.000 0.526 325 N N -0.094 118.497 118.700 -0.180 0.000 2.223 325 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 325 N C 0.486 175.890 175.510 -0.176 0.000 1.016 325 N CA 0.649 53.608 53.050 -0.151 0.000 0.863 325 N CB -1.057 37.359 38.487 -0.118 0.000 0.983 325 N HN 0.428 nan 8.380 nan 0.000 0.429 326 V N 3.305 123.069 119.914 -0.250 0.000 2.387 326 V HA 0.107 4.227 4.120 -0.000 0.000 0.260 326 V C -1.266 174.615 176.094 -0.355 0.000 1.054 326 V CA -1.028 61.088 62.300 -0.306 0.000 0.967 326 V CB 0.986 32.524 31.823 -0.475 0.000 1.036 326 V HN 0.053 nan 8.190 nan 0.000 0.481 327 P HA -0.187 nan 4.420 nan 0.000 0.217 327 P C 0.999 178.229 177.300 -0.117 0.000 1.148 327 P CA 1.606 64.632 63.100 -0.123 0.000 0.834 327 P CB -0.036 31.686 31.700 0.036 0.000 0.783 328 Y N -2.841 117.393 120.300 -0.109 0.000 2.457 328 Y HA 0.460 5.010 4.550 -0.000 0.000 0.263 328 Y C 0.380 176.312 175.900 0.053 0.000 1.164 328 Y CA -0.846 57.267 58.100 0.022 0.000 1.274 328 Y CB -0.544 37.960 38.460 0.073 0.000 1.097 328 Y HN -0.203 nan 8.280 nan 0.000 0.523 329 I N 1.410 121.682 120.570 -0.496 0.000 2.389 329 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 329 I C -1.243 174.652 176.117 -0.370 0.000 0.999 329 I CA -0.896 60.212 61.300 -0.321 0.000 1.129 329 I CB 1.230 38.896 38.000 -0.555 0.000 1.288 329 I HN -0.030 nan 8.210 nan 0.000 0.444 330 Y N 4.051 124.353 120.300 0.004 0.000 2.587 330 Y HA 0.817 5.367 4.550 -0.000 0.000 0.337 330 Y C 0.228 176.145 175.900 0.029 0.000 1.065 330 Y CA -0.813 57.292 58.100 0.008 0.000 1.126 330 Y CB 2.085 40.558 38.460 0.022 0.000 1.279 330 Y HN 0.554 nan 8.280 nan 0.000 0.489 331 A N 2.146 125.072 122.820 0.177 0.000 2.475 331 A HA 0.843 5.163 4.320 -0.000 0.000 0.301 331 A C -1.868 175.788 177.584 0.119 0.000 1.059 331 A CA -0.580 51.528 52.037 0.119 0.000 0.710 331 A CB 1.284 20.319 19.000 0.058 0.000 1.288 331 A HN 0.490 nan 8.150 nan 0.000 0.408 332 I N 0.706 121.337 120.570 0.101 0.000 2.769 332 I HA 0.755 4.925 4.170 -0.000 0.000 0.298 332 I C 0.833 177.002 176.117 0.088 0.000 1.128 332 I CA 0.799 62.160 61.300 0.101 0.000 1.031 332 I CB 1.247 39.300 38.000 0.088 0.000 1.235 332 I HN 1.646 nan 8.210 nan 0.000 0.423 333 G N 5.724 114.586 108.800 0.103 0.000 2.512 333 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.240 333 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.240 333 G C 0.359 175.310 174.900 0.086 0.000 1.246 333 G CA 0.293 45.449 45.100 0.093 0.000 0.919 333 G HN 0.482 nan 8.290 nan 0.000 0.577 334 D N 0.554 121.004 120.400 0.083 0.000 2.221 334 D HA -0.091 4.549 4.640 -0.000 0.000 0.204 334 D C 2.494 178.834 176.300 0.067 0.000 0.982 334 D CA 1.574 55.624 54.000 0.083 0.000 0.857 334 D CB -0.239 40.618 40.800 0.095 0.000 0.934 334 D HN 0.708 nan 8.370 nan 0.000 0.475 335 I N -2.048 118.557 120.570 0.060 0.000 3.111 335 I HA -0.009 4.161 4.170 -0.000 0.000 0.272 335 I C 0.371 176.504 176.117 0.027 0.000 1.268 335 I CA 0.100 61.428 61.300 0.047 0.000 1.467 335 I CB -0.354 37.675 38.000 0.048 0.000 1.087 335 I HN -0.179 nan 8.210 nan 0.000 0.467 336 L N 2.823 124.058 121.223 0.020 0.000 2.455 336 L HA 0.142 4.482 4.340 -0.000 0.000 0.272 336 L C 0.721 177.571 176.870 -0.034 0.000 1.174 336 L CA 0.310 55.142 54.840 -0.014 0.000 0.869 336 L CB 0.422 42.462 42.059 -0.033 0.000 1.130 336 L HN 0.311 nan 8.230 nan 0.000 0.474 337 E N 2.158 122.330 120.200 -0.046 0.000 2.360 337 E HA 0.129 4.479 4.350 -0.000 0.000 0.269 337 E C 1.009 177.561 176.600 -0.081 0.000 1.022 337 E CA 0.592 56.963 56.400 -0.049 0.000 0.887 337 E CB 0.677 30.351 29.700 -0.044 0.000 0.990 337 E HN 0.804 nan 8.360 nan 0.000 0.426 338 G N 3.496 112.256 108.800 -0.067 0.000 2.187 338 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.261 338 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.261 338 G C 0.291 175.113 174.900 -0.129 0.000 1.000 338 G CA 0.814 45.864 45.100 -0.083 0.000 0.718 338 G HN 0.435 nan 8.290 nan 0.000 0.519 339 K N -0.971 119.345 120.400 -0.140 0.000 2.443 339 K HA 0.833 5.153 4.320 -0.000 0.000 0.284 339 K C 0.752 177.327 176.600 -0.041 0.000 0.992 339 K CA -0.500 55.676 56.287 -0.185 0.000 1.292 339 K CB 0.020 32.351 32.500 -0.281 0.000 1.705 339 K HN 0.259 nan 8.250 nan 0.000 0.778 340 L N 0.823 122.070 121.223 0.040 0.000 2.354 340 L HA 0.378 4.718 4.340 -0.000 0.000 0.264 340 L C -0.363 176.562 176.870 0.091 0.000 1.008 340 L CA -0.494 54.387 54.840 0.069 0.000 0.819 340 L CB 2.058 44.172 42.059 0.092 0.000 1.339 340 L HN 0.420 nan 8.230 nan 0.000 0.420 341 E N 3.816 124.069 120.200 0.088 0.000 2.731 341 E HA 0.487 4.837 4.350 -0.000 0.000 0.220 341 E C -1.309 175.357 176.600 0.109 0.000 1.087 341 E CA -0.131 56.338 56.400 0.115 0.000 1.020 341 E CB 0.674 30.463 29.700 0.150 0.000 1.339 341 E HN 0.349 nan 8.360 nan 0.000 0.444 342 L N 0.514 121.788 121.223 0.084 0.000 2.408 342 L HA 0.298 4.638 4.340 -0.000 0.000 0.268 342 L C 1.319 178.224 176.870 0.058 0.000 0.986 342 L CA -0.609 54.267 54.840 0.059 0.000 0.820 342 L CB 2.037 44.111 42.059 0.025 0.000 1.303 342 L HN 0.167 nan 8.230 nan 0.000 0.411 343 T N 1.527 116.113 114.554 0.054 0.000 2.597 343 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 343 T C -1.051 173.664 174.700 0.025 0.000 1.053 343 T CA 1.949 64.073 62.100 0.041 0.000 1.165 343 T CB -0.663 68.227 68.868 0.037 0.000 0.863 343 T HN 0.502 nan 8.240 nan 0.000 0.427 344 P HA 0.063 nan 4.420 nan 0.000 0.223 344 P C 1.501 178.789 177.300 -0.019 0.000 1.151 344 P CA 0.378 63.477 63.100 -0.002 0.000 0.787 344 P CB -0.150 31.545 31.700 -0.008 0.000 0.788 345 V N 0.532 120.442 119.914 -0.007 0.000 2.283 345 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 345 V C 2.532 178.633 176.094 0.011 0.000 1.039 345 V CA 2.225 64.512 62.300 -0.021 0.000 1.016 345 V CB -1.665 30.188 31.823 0.050 0.000 0.650 345 V HN 0.091 nan 8.190 nan 0.000 0.449 346 A N -0.056 122.795 122.820 0.052 0.000 1.917 346 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 346 A C 2.173 179.772 177.584 0.025 0.000 1.182 346 A CA 2.297 54.367 52.037 0.055 0.000 0.633 346 A CB -0.663 18.370 19.000 0.055 0.000 0.819 346 A HN 0.523 nan 8.150 nan 0.000 0.448 347 I N -1.058 119.517 120.570 0.009 0.000 2.179 347 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 347 I C 2.796 178.907 176.117 -0.011 0.000 1.088 347 I CA 1.906 63.207 61.300 0.001 0.000 1.357 347 I CB -0.285 37.717 38.000 0.003 0.000 1.051 347 I HN 0.489 nan 8.210 nan 0.000 0.409 348 Q N 1.142 120.922 119.800 -0.034 0.000 2.046 348 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 348 Q C 2.206 178.171 176.000 -0.057 0.000 0.975 348 Q CA 2.191 57.958 55.803 -0.060 0.000 0.836 348 Q CB -0.277 28.395 28.738 -0.109 0.000 0.896 348 Q HN 0.471 nan 8.270 nan 0.000 0.428 349 A N 0.059 122.848 122.820 -0.052 0.000 1.892 349 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 349 A C 2.309 179.900 177.584 0.012 0.000 1.188 349 A CA 1.865 53.900 52.037 -0.003 0.000 0.631 349 A CB -1.585 17.466 19.000 0.085 0.000 0.822 349 A HN 0.594 nan 8.150 nan 0.000 0.447 350 G N -0.933 107.876 108.800 0.015 0.000 2.404 350 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 350 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 350 G C 1.756 176.662 174.900 0.010 0.000 1.174 350 G CA 1.036 46.145 45.100 0.015 0.000 0.780 350 G HN 0.570 nan 8.290 nan 0.000 0.537 351 R N -0.066 120.440 120.500 0.010 0.000 2.073 351 R HA 0.089 4.429 4.340 -0.000 0.000 0.234 351 R C 2.556 178.868 176.300 0.020 0.000 1.134 351 R CA 1.059 57.172 56.100 0.022 0.000 0.952 351 R CB -0.391 29.916 30.300 0.012 0.000 0.850 351 R HN 0.375 nan 8.270 nan 0.000 0.433 352 L N 0.945 122.165 121.223 -0.006 0.000 2.201 352 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 352 L C 2.421 179.266 176.870 -0.042 0.000 1.105 352 L CA 0.312 55.142 54.840 -0.017 0.000 0.775 352 L CB -0.346 41.694 42.059 -0.032 0.000 0.913 352 L HN 0.283 nan 8.230 nan 0.000 0.440 353 L N 0.338 121.529 121.223 -0.054 0.000 2.027 353 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 353 L C 2.666 179.425 176.870 -0.185 0.000 1.074 353 L CA 2.000 56.761 54.840 -0.132 0.000 0.745 353 L CB -0.678 41.297 42.059 -0.140 0.000 0.898 353 L HN 0.120 nan 8.230 nan 0.000 0.433 354 A N -1.161 121.614 122.820 -0.076 0.000 1.978 354 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 354 A C 2.180 179.750 177.584 -0.022 0.000 1.170 354 A CA 1.665 53.707 52.037 0.007 0.000 0.636 354 A CB -0.539 18.576 19.000 0.191 0.000 0.810 354 A HN 0.616 nan 8.150 nan 0.000 0.448 355 Q N -0.420 119.383 119.800 0.005 0.000 2.046 355 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 355 Q C 2.269 178.178 176.000 -0.153 0.000 0.975 355 Q CA 1.466 57.267 55.803 -0.004 0.000 0.836 355 Q CB -0.373 28.392 28.738 0.046 0.000 0.896 355 Q HN 0.715 nan 8.270 nan 0.000 0.428 356 R N 0.034 120.436 120.500 -0.164 0.000 2.073 356 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 356 R C 2.493 178.612 176.300 -0.301 0.000 1.134 356 R CA 1.003 56.990 56.100 -0.188 0.000 0.952 356 R CB -0.268 29.942 30.300 -0.150 0.000 0.850 356 R HN 0.198 nan 8.270 nan 0.000 0.433 357 L N -1.229 119.707 121.223 -0.479 0.000 2.027 357 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 357 L C 1.387 177.778 176.870 -0.798 0.000 1.074 357 L CA 1.327 55.710 54.840 -0.762 0.000 0.745 357 L CB -0.155 41.162 42.059 -1.238 0.000 0.898 357 L HN 0.250 nan 8.230 nan 0.000 0.433 358 Y N -1.944 118.108 120.300 -0.412 0.000 2.453 358 Y HA 0.304 4.854 4.550 0.000 0.000 0.247 358 Y C 1.871 177.109 175.900 -1.103 0.000 1.124 358 Y CA -0.020 57.692 58.100 -0.646 0.000 1.243 358 Y CB 0.101 38.181 38.460 -0.632 0.000 1.213 358 Y HN -0.040 nan 8.280 nan 0.000 0.523 359 G N -0.868 107.449 108.800 -0.804 0.000 3.192 359 G HA2 0.361 4.321 3.960 -0.000 0.000 0.239 359 G HA3 0.361 4.321 3.960 -0.000 0.000 0.239 359 G C 1.259 176.048 174.900 -0.185 0.000 1.084 359 G CA 0.030 44.780 45.100 -0.583 0.000 0.784 359 G HN 0.400 nan 8.290 nan 0.000 0.540 360 G N 0.312 109.003 108.800 -0.182 0.000 2.283 360 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.280 360 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.280 360 G C 0.479 175.343 174.900 -0.059 0.000 1.029 360 G CA 0.781 45.824 45.100 -0.095 0.000 0.840 360 G HN 0.957 nan 8.290 nan 0.000 0.505 361 S N -1.310 114.350 115.700 -0.067 0.000 2.632 361 S HA 0.692 5.162 4.470 -0.000 0.000 0.271 361 S C 1.549 176.125 174.600 -0.041 0.000 1.260 361 S CA 0.775 58.954 58.200 -0.036 0.000 1.010 361 S CB 1.104 64.292 63.200 -0.020 0.000 0.965 361 S HN 1.058 nan 8.310 nan 0.000 0.534 362 T N -0.192 114.347 114.554 -0.025 0.000 3.040 362 T HA 0.261 4.611 4.350 -0.000 0.000 0.266 362 T C 0.011 174.702 174.700 -0.015 0.000 1.005 362 T CA -0.211 61.877 62.100 -0.020 0.000 0.906 362 T CB -0.242 68.618 68.868 -0.013 0.000 1.082 362 T HN 0.313 nan 8.240 nan 0.000 0.531 363 V N 2.824 122.729 119.914 -0.016 0.000 2.446 363 V HA 0.244 4.364 4.120 -0.000 0.000 0.276 363 V C 0.470 176.554 176.094 -0.016 0.000 1.030 363 V CA -0.336 61.955 62.300 -0.015 0.000 1.033 363 V CB -0.050 31.763 31.823 -0.017 0.000 0.993 363 V HN 0.382 nan 8.190 nan 0.000 0.477 364 K N 2.980 123.376 120.400 -0.008 0.000 2.102 364 K HA 0.399 4.719 4.320 -0.000 0.000 0.244 364 K C -0.066 176.519 176.600 -0.025 0.000 1.021 364 K CA -0.462 55.827 56.287 0.004 0.000 0.913 364 K CB 0.917 33.435 32.500 0.030 0.000 1.062 364 K HN 0.746 nan 8.250 nan 0.000 0.485 365 C N 1.855 121.136 119.300 -0.031 0.000 2.325 365 C HA 0.200 4.660 4.460 -0.000 0.000 0.347 365 C C -0.451 174.403 174.990 -0.227 0.000 1.263 365 C CA -0.583 58.328 59.018 -0.179 0.000 1.806 365 C CB -0.457 27.118 27.740 -0.275 0.000 2.405 365 C HN 0.646 nan 8.230 nan 0.000 0.537 366 D N 3.883 124.146 120.400 -0.229 0.000 2.347 366 D HA 0.205 4.845 4.640 -0.000 0.000 0.235 366 D C -0.143 176.046 176.300 -0.185 0.000 1.149 366 D CA -0.029 53.899 54.000 -0.120 0.000 0.850 366 D CB 0.401 41.158 40.800 -0.071 0.000 1.061 366 D HN 0.711 nan 8.370 nan 0.000 0.487 367 Y N 1.334 121.629 120.300 -0.010 0.000 2.468 367 Y HA 0.145 4.695 4.550 -0.000 0.000 0.268 367 Y C 0.243 176.133 175.900 -0.017 0.000 1.177 367 Y CA -0.495 57.598 58.100 -0.013 0.000 1.265 367 Y CB 0.462 38.916 38.460 -0.009 0.000 1.103 367 Y HN 0.204 nan 8.280 nan 0.000 0.522 368 D N 0.548 121.008 120.400 0.099 0.000 2.255 368 D HA 0.078 4.718 4.640 -0.000 0.000 0.249 368 D C 0.094 176.406 176.300 0.020 0.000 1.078 368 D CA -0.066 53.968 54.000 0.057 0.000 0.896 368 D CB 0.441 41.270 40.800 0.047 0.000 1.194 368 D HN 0.107 nan 8.370 nan 0.000 0.429 369 N N 0.124 118.832 118.700 0.014 0.000 2.725 369 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 369 N C -0.804 174.686 175.510 -0.034 0.000 1.031 369 N CA 0.303 53.347 53.050 -0.010 0.000 0.720 369 N CB -1.223 37.257 38.487 -0.012 0.000 0.930 369 N HN 0.148 nan 8.380 nan 0.000 0.543 370 V N 1.754 121.652 119.914 -0.027 0.000 2.432 370 V HA 0.256 4.376 4.120 -0.000 0.000 0.271 370 V C -1.283 174.777 176.094 -0.058 0.000 1.046 370 V CA -1.039 61.236 62.300 -0.041 0.000 0.945 370 V CB 1.208 33.020 31.823 -0.018 0.000 0.992 370 V HN 0.134 nan 8.190 nan 0.000 0.471 371 P HA 0.310 nan 4.420 nan 0.000 0.275 371 P C -0.357 176.896 177.300 -0.078 0.000 1.228 371 P CA 0.025 63.074 63.100 -0.086 0.000 0.786 371 P CB 1.166 32.807 31.700 -0.098 0.000 0.927 372 T N -1.354 113.142 114.554 -0.095 0.000 2.883 372 T HA 0.663 5.013 4.350 -0.000 0.000 0.296 372 T C -0.906 173.690 174.700 -0.173 0.000 1.117 372 T CA -0.529 61.510 62.100 -0.102 0.000 1.006 372 T CB 1.436 70.262 68.868 -0.069 0.000 1.191 372 T HN 0.290 nan 8.240 nan 0.000 0.508 373 T N 1.449 115.859 114.554 -0.239 0.000 2.971 373 T HA 0.539 4.889 4.350 -0.000 0.000 0.304 373 T C -0.871 173.485 174.700 -0.573 0.000 1.038 373 T CA -0.575 61.250 62.100 -0.458 0.000 1.007 373 T CB 1.574 70.075 68.868 -0.611 0.000 1.055 373 T HN 0.700 nan 8.240 nan 0.000 0.451 374 V N 3.904 123.524 119.914 -0.490 0.000 2.364 374 V HA 0.334 4.454 4.120 -0.000 0.000 0.272 374 V C -0.213 175.630 176.094 -0.418 0.000 1.036 374 V CA -0.511 61.597 62.300 -0.320 0.000 0.880 374 V CB 0.289 32.022 31.823 -0.151 0.000 0.991 374 V HN 0.898 nan 8.190 nan 0.000 0.460 375 F N 3.012 122.943 119.950 -0.033 0.000 2.913 375 F HA 0.139 4.666 4.527 -0.000 0.000 0.306 375 F C 1.671 177.304 175.800 -0.278 0.000 1.205 375 F CA -0.497 57.354 58.000 -0.248 0.000 1.359 375 F CB -0.609 38.157 39.000 -0.389 0.000 1.260 375 F HN 0.564 nan 8.300 nan 0.000 0.545 376 T N -2.357 112.213 114.554 0.026 0.000 2.795 376 T HA 0.037 4.387 4.350 -0.000 0.000 0.314 376 T C -1.505 173.299 174.700 0.174 0.000 1.069 376 T CA -1.347 60.818 62.100 0.108 0.000 1.071 376 T CB 0.717 69.650 68.868 0.108 0.000 0.988 376 T HN -0.033 nan 8.240 nan 0.000 0.543 377 P HA -0.024 nan 4.420 nan 0.000 0.215 377 P C 0.398 177.849 177.300 0.252 0.000 1.157 377 P CA 0.601 63.898 63.100 0.328 0.000 0.874 377 P CB -0.026 31.857 31.700 0.304 0.000 0.790 378 L N 0.318 121.573 121.223 0.053 0.000 2.261 378 L HA 0.200 4.539 4.340 -0.000 0.000 0.289 378 L C 0.141 177.060 176.870 0.083 0.000 1.059 378 L CA -0.444 54.363 54.840 -0.055 0.000 0.816 378 L CB 0.014 41.754 42.059 -0.531 0.000 1.191 378 L HN -0.115 nan 8.230 nan 0.000 0.431 379 E N 3.427 123.733 120.200 0.176 0.000 2.390 379 E HA 0.105 4.455 4.350 -0.000 0.000 0.261 379 E C -1.500 175.207 176.600 0.178 0.000 1.076 379 E CA 0.033 56.516 56.400 0.140 0.000 0.905 379 E CB 0.823 30.626 29.700 0.172 0.000 0.984 379 E HN 0.491 nan 8.360 nan 0.000 0.427 380 Y N 0.604 120.867 120.300 -0.062 0.000 2.346 380 Y HA 0.510 5.060 4.550 -0.000 0.000 0.332 380 Y C -0.528 175.360 175.900 -0.021 0.000 0.985 380 Y CA -1.037 57.059 58.100 -0.006 0.000 1.112 380 Y CB 1.351 39.798 38.460 -0.023 0.000 1.170 380 Y HN 0.485 nan 8.280 nan 0.000 0.447 381 G N 3.592 112.300 108.800 -0.153 0.000 2.416 381 G HA2 0.654 4.614 3.960 -0.000 0.000 0.329 381 G HA3 0.654 4.614 3.960 -0.000 0.000 0.329 381 G C -1.168 173.558 174.900 -0.290 0.000 1.173 381 G CA -0.325 44.634 45.100 -0.236 0.000 0.929 381 G HN 1.255 nan 8.290 nan 0.000 0.475 382 C N -1.003 118.137 119.300 -0.267 0.000 3.306 382 C HA 0.868 5.328 4.460 -0.000 0.000 0.335 382 C C -0.866 174.063 174.990 -0.101 0.000 1.382 382 C CA -1.298 57.628 59.018 -0.153 0.000 1.254 382 C CB 1.246 28.835 27.740 -0.250 0.000 1.555 382 C HN 1.309 nan 8.230 nan 0.000 0.463 383 C N 1.594 120.834 119.300 -0.101 0.000 3.113 383 C HA 0.838 5.298 4.460 -0.000 0.000 0.376 383 C C 0.577 175.532 174.990 -0.059 0.000 1.077 383 C CA 1.940 60.911 59.018 -0.079 0.000 1.253 383 C CB 0.761 28.433 27.740 -0.113 0.000 1.637 383 C HN 3.197 nan 8.230 nan 0.000 0.535 384 G N 4.070 112.854 108.800 -0.026 0.000 2.527 384 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.227 384 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.227 384 G C -0.947 173.991 174.900 0.062 0.000 1.291 384 G CA -0.200 44.916 45.100 0.027 0.000 0.904 384 G HN 1.151 nan 8.290 nan 0.000 0.577 385 L N 1.201 122.502 121.223 0.130 0.000 2.395 385 L HA 0.529 4.869 4.340 -0.000 0.000 0.269 385 L C 1.574 178.622 176.870 0.296 0.000 1.133 385 L CA -0.076 54.866 54.840 0.170 0.000 0.812 385 L CB 1.419 43.586 42.059 0.179 0.000 1.125 385 L HN 0.980 nan 8.230 nan 0.000 0.452 386 S N 0.030 115.889 115.700 0.265 0.000 2.600 386 S HA 0.047 4.517 4.470 -0.000 0.000 0.265 386 S C 0.868 175.566 174.600 0.164 0.000 1.325 386 S CA -0.484 57.879 58.200 0.271 0.000 1.002 386 S CB 1.301 64.608 63.200 0.179 0.000 0.921 386 S HN 0.770 nan 8.310 nan 0.000 0.554 387 E N 1.212 121.449 120.200 0.063 0.000 2.070 387 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 387 E C 2.031 178.666 176.600 0.058 0.000 1.004 387 E CA 1.748 58.180 56.400 0.053 0.000 0.805 387 E CB -0.217 29.477 29.700 -0.009 0.000 0.744 387 E HN 0.857 nan 8.360 nan 0.000 0.451 388 E N 0.486 120.711 120.200 0.041 0.000 2.077 388 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 388 E C 1.882 178.506 176.600 0.040 0.000 0.989 388 E CA 0.950 57.371 56.400 0.034 0.000 0.800 388 E CB -0.262 29.453 29.700 0.026 0.000 0.746 388 E HN 0.077 nan 8.360 nan 0.000 0.452 389 K N 0.960 121.391 120.400 0.052 0.000 2.148 389 K HA 0.099 4.419 4.320 -0.000 0.000 0.204 389 K C 2.120 178.743 176.600 0.038 0.000 1.050 389 K CA 1.242 57.550 56.287 0.034 0.000 0.942 389 K CB -0.596 31.927 32.500 0.039 0.000 0.724 389 K HN 0.271 nan 8.250 nan 0.000 0.446 390 A N 0.600 123.484 122.820 0.107 0.000 1.930 390 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 390 A C 2.423 180.115 177.584 0.180 0.000 1.175 390 A CA 1.292 53.451 52.037 0.203 0.000 0.627 390 A CB -0.466 18.689 19.000 0.258 0.000 0.815 390 A HN 0.044 nan 8.150 nan 0.000 0.443 391 V N -0.121 119.856 119.914 0.106 0.000 2.307 391 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 391 V C 2.494 178.611 176.094 0.038 0.000 1.045 391 V CA 2.189 64.536 62.300 0.078 0.000 1.024 391 V CB -0.643 31.208 31.823 0.047 0.000 0.651 391 V HN 0.695 nan 8.190 nan 0.000 0.449 392 E N 0.145 120.348 120.200 0.005 0.000 2.058 392 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 392 E C 2.306 178.855 176.600 -0.085 0.000 0.997 392 E CA 1.785 58.167 56.400 -0.029 0.000 0.801 392 E CB -0.034 29.647 29.700 -0.032 0.000 0.746 392 E HN 0.556 nan 8.360 nan 0.000 0.450 393 K N -0.806 119.494 120.400 -0.167 0.000 2.103 393 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 393 K C 1.283 177.591 176.600 -0.487 0.000 1.052 393 K CA 1.205 57.246 56.287 -0.410 0.000 0.945 393 K CB 0.050 32.154 32.500 -0.660 0.000 0.722 393 K HN 0.083 nan 8.250 nan 0.000 0.443 394 F N -0.004 119.957 119.950 0.018 0.000 2.706 394 F HA 0.329 4.856 4.527 -0.000 0.000 0.313 394 F C 0.347 176.155 175.800 0.014 0.000 1.096 394 F CA -0.006 58.004 58.000 0.017 0.000 1.219 394 F CB 1.598 40.612 39.000 0.023 0.000 1.051 394 F HN 0.156 nan 8.300 nan 0.000 0.568 395 G N 1.605 110.489 108.800 0.140 0.000 2.999 395 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 395 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 395 G C 0.454 175.406 174.900 0.087 0.000 1.057 395 G CA -0.209 44.946 45.100 0.091 0.000 0.784 395 G HN 0.171 nan 8.290 nan 0.000 0.575 396 E N 0.747 120.979 120.200 0.053 0.000 2.065 396 E HA -0.238 4.112 4.350 -0.000 0.000 0.201 396 E C 2.156 178.775 176.600 0.031 0.000 1.016 396 E CA 1.884 58.307 56.400 0.038 0.000 0.818 396 E CB 0.048 29.760 29.700 0.020 0.000 0.749 396 E HN 0.815 nan 8.360 nan 0.000 0.453 397 E N -0.052 120.164 120.200 0.027 0.000 2.502 397 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 397 E C 0.517 177.128 176.600 0.019 0.000 1.062 397 E CA 0.279 56.688 56.400 0.015 0.000 0.867 397 E CB -0.086 29.619 29.700 0.009 0.000 0.888 397 E HN 0.114 nan 8.360 nan 0.000 0.510 398 N N 0.499 119.223 118.700 0.039 0.000 2.280 398 N HA 0.121 4.861 4.740 -0.000 0.000 0.192 398 N C -0.273 175.250 175.510 0.023 0.000 1.109 398 N CA 0.012 53.083 53.050 0.035 0.000 0.855 398 N CB 0.611 39.138 38.487 0.068 0.000 0.974 398 N HN 0.166 nan 8.380 nan 0.000 0.482 399 I N 0.898 121.488 120.570 0.034 0.000 2.412 399 I HA 0.279 4.449 4.170 -0.000 0.000 0.296 399 I C 0.046 176.159 176.117 -0.006 0.000 0.987 399 I CA -0.900 60.418 61.300 0.031 0.000 1.180 399 I CB 1.619 39.658 38.000 0.066 0.000 1.340 399 I HN -0.111 nan 8.210 nan 0.000 0.455 400 E N 4.788 124.985 120.200 -0.005 0.000 2.199 400 E HA 0.545 4.895 4.350 -0.000 0.000 0.265 400 E C -1.531 175.035 176.600 -0.057 0.000 0.882 400 E CA -0.443 55.911 56.400 -0.076 0.000 0.759 400 E CB 1.734 31.401 29.700 -0.055 0.000 1.148 400 E HN 0.276 nan 8.360 nan 0.000 0.412 401 V N 5.678 125.489 119.914 -0.173 0.000 2.357 401 V HA 0.345 4.465 4.120 -0.000 0.000 0.284 401 V C -0.964 174.992 176.094 -0.229 0.000 1.018 401 V CA -0.663 61.566 62.300 -0.119 0.000 0.841 401 V CB 0.339 32.068 31.823 -0.158 0.000 0.991 401 V HN 0.621 nan 8.190 nan 0.000 0.437 402 Y N 4.785 125.046 120.300 -0.065 0.000 2.323 402 Y HA 0.673 5.223 4.550 -0.000 0.000 0.331 402 Y C 0.591 176.486 175.900 -0.008 0.000 1.092 402 Y CA -0.481 57.601 58.100 -0.030 0.000 1.150 402 Y CB 1.157 39.612 38.460 -0.007 0.000 1.200 402 Y HN 0.842 nan 8.280 nan 0.000 0.472 403 H N -1.184 117.870 119.070 -0.027 0.000 3.017 403 H HA 0.832 5.388 4.556 -0.000 0.000 0.346 403 H C -1.543 173.651 175.328 -0.223 0.000 1.286 403 H CA -1.167 54.745 56.048 -0.228 0.000 1.120 403 H CB 2.141 31.762 29.762 -0.236 0.000 1.860 403 H HN 0.528 nan 8.280 nan 0.000 0.542 404 S N 0.930 116.361 115.700 -0.448 0.000 2.558 404 S HA 0.387 4.857 4.470 -0.000 0.000 0.277 404 S C -1.791 172.630 174.600 -0.299 0.000 1.143 404 S CA -0.796 57.210 58.200 -0.323 0.000 0.865 404 S CB 0.946 64.059 63.200 -0.145 0.000 1.102 404 S HN 0.466 nan 8.310 nan 0.000 0.454 405 F N 3.395 123.360 119.950 0.026 0.000 2.370 405 F HA 0.708 5.235 4.527 -0.000 0.000 0.324 405 F C 0.304 176.208 175.800 0.172 0.000 1.116 405 F CA -0.191 57.863 58.000 0.090 0.000 1.123 405 F CB 1.024 40.040 39.000 0.028 0.000 1.238 405 F HN 0.603 nan 8.300 nan 0.000 0.536 406 F N -0.389 119.696 119.950 0.225 0.000 2.662 406 F HA 0.571 5.098 4.527 -0.000 0.000 0.312 406 F C -1.996 173.948 175.800 0.241 0.000 1.113 406 F CA -1.693 56.400 58.000 0.155 0.000 0.951 406 F CB 1.100 40.118 39.000 0.029 0.000 1.344 406 F HN 0.378 nan 8.300 nan 0.000 0.462 407 W N 4.220 125.596 121.300 0.127 0.000 2.453 407 W HA 0.648 5.308 4.660 -0.000 0.000 0.310 407 W C -2.957 173.544 176.519 -0.030 0.000 1.000 407 W CA -3.368 53.978 57.345 0.001 0.000 1.367 407 W CB 1.026 30.532 29.460 0.078 0.000 1.269 407 W HN 0.342 nan 8.180 nan 0.000 0.418 408 P HA -0.132 nan 4.420 nan 0.000 0.262 408 P C 1.080 178.132 177.300 -0.414 0.000 1.182 408 P CA 0.090 62.945 63.100 -0.407 0.000 0.761 408 P CB 0.663 31.715 31.700 -1.080 0.000 0.795 409 L N 4.556 125.635 121.223 -0.240 0.000 2.043 409 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 409 L C 1.666 178.443 176.870 -0.156 0.000 1.075 409 L CA 2.056 56.761 54.840 -0.224 0.000 0.752 409 L CB -1.075 40.906 42.059 -0.129 0.000 0.891 409 L HN 0.299 nan 8.230 nan 0.000 0.432 410 E N -1.358 118.808 120.200 -0.056 0.000 2.331 410 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 410 E C 1.486 178.328 176.600 0.403 0.000 1.008 410 E CA 1.272 57.785 56.400 0.189 0.000 0.843 410 E CB -0.322 29.497 29.700 0.199 0.000 0.761 410 E HN 0.612 nan 8.360 nan 0.000 0.507 411 W N -0.207 121.033 121.300 -0.100 0.000 3.211 411 W HA 0.164 4.823 4.660 -0.000 0.000 0.292 411 W C 1.942 178.334 176.519 -0.213 0.000 1.268 411 W CA 0.785 58.100 57.345 -0.050 0.000 1.702 411 W CB -0.858 28.652 29.460 0.083 0.000 1.092 411 W HN 0.136 nan 8.180 nan 0.000 0.643 412 T N -2.973 111.373 114.554 -0.346 0.000 2.857 412 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 412 T C 1.818 176.417 174.700 -0.169 0.000 1.048 412 T CA 1.460 63.212 62.100 -0.579 0.000 1.139 412 T CB -0.703 67.715 68.868 -0.751 0.000 0.874 412 T HN -0.112 nan 8.240 nan 0.000 0.455 413 V N 2.726 122.537 119.914 -0.172 0.000 2.407 413 V HA 0.034 4.154 4.120 -0.000 0.000 0.245 413 V C -0.306 175.665 176.094 -0.205 0.000 1.041 413 V CA 1.279 63.407 62.300 -0.286 0.000 1.040 413 V CB -1.138 30.260 31.823 -0.708 0.000 0.671 413 V HN 0.386 nan 8.190 nan 0.000 0.455 414 P HA -0.082 nan 4.420 nan 0.000 0.222 414 P C 0.725 178.069 177.300 0.073 0.000 1.147 414 P CA 1.459 64.573 63.100 0.024 0.000 0.790 414 P CB -0.033 31.736 31.700 0.114 0.000 0.780 415 S N -1.007 114.777 115.700 0.140 0.000 3.968 415 S HA -0.141 4.329 4.470 -0.000 0.000 0.373 415 S C -0.049 174.727 174.600 0.293 0.000 0.974 415 S CA 0.265 58.615 58.200 0.251 0.000 1.124 415 S CB -1.783 61.505 63.200 0.147 0.000 0.862 415 S HN 0.456 nan 8.310 nan 0.000 0.492 416 R N 0.180 120.913 120.500 0.388 0.000 2.771 416 R HA 0.724 5.064 4.340 -0.000 0.000 0.274 416 R C -0.620 175.927 176.300 0.412 0.000 0.987 416 R CA -0.455 55.801 56.100 0.261 0.000 0.908 416 R CB 0.570 30.915 30.300 0.074 0.000 1.213 416 R HN 0.050 nan 8.270 nan 0.000 0.468 417 D N 0.255 120.782 120.400 0.211 0.000 2.723 417 D HA -0.173 4.467 4.640 -0.000 0.000 0.236 417 D C -0.739 175.682 176.300 0.201 0.000 1.138 417 D CA 0.903 55.037 54.000 0.223 0.000 0.676 417 D CB -0.726 40.169 40.800 0.158 0.000 1.069 417 D HN 0.635 nan 8.370 nan 0.000 0.430 418 N N 1.411 119.913 118.700 -0.329 0.000 2.453 418 N HA -0.008 4.732 4.740 -0.000 0.000 0.253 418 N C 0.693 175.923 175.510 -0.467 0.000 1.252 418 N CA 0.314 52.759 53.050 -1.008 0.000 0.917 418 N CB 0.306 37.913 38.487 -1.466 0.000 1.117 418 N HN 0.091 nan 8.380 nan 0.000 0.442 419 N N 0.692 119.148 118.700 -0.407 0.000 2.721 419 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 419 N C -0.129 175.155 175.510 -0.378 0.000 1.072 419 N CA 0.562 53.344 53.050 -0.446 0.000 0.710 419 N CB -0.287 37.806 38.487 -0.657 0.000 0.993 419 N HN 0.654 nan 8.380 nan 0.000 0.547 420 K N -0.714 119.661 120.400 -0.042 0.000 2.306 420 K HA 0.181 4.501 4.320 -0.000 0.000 0.200 420 K C 0.882 177.589 176.600 0.178 0.000 1.083 420 K CA 0.334 56.691 56.287 0.116 0.000 0.959 420 K CB 0.070 32.727 32.500 0.260 0.000 0.994 420 K HN 0.205 nan 8.250 nan 0.000 0.492 421 C N 2.266 121.557 119.300 -0.016 0.000 2.644 421 C HA 0.284 4.744 4.460 -0.000 0.000 0.417 421 C C 0.174 175.015 174.990 -0.249 0.000 1.304 421 C CA -0.448 58.339 59.018 -0.384 0.000 2.035 421 C CB -1.278 25.669 27.740 -1.322 0.000 2.673 421 C HN 0.388 nan 8.230 nan 0.000 0.602 422 Y N 1.068 121.253 120.300 -0.191 0.000 2.513 422 Y HA 0.625 5.175 4.550 -0.000 0.000 0.340 422 Y C -0.505 175.456 175.900 0.103 0.000 1.055 422 Y CA -0.515 57.529 58.100 -0.092 0.000 1.020 422 Y CB 1.070 39.397 38.460 -0.221 0.000 1.301 422 Y HN 0.852 nan 8.280 nan 0.000 0.453 423 A N 5.360 127.827 122.820 -0.590 0.000 2.414 423 A HA 0.854 5.174 4.320 -0.000 0.000 0.306 423 A C -1.670 175.426 177.584 -0.815 0.000 1.054 423 A CA -0.843 50.822 52.037 -0.619 0.000 0.724 423 A CB 1.377 19.807 19.000 -0.950 0.000 1.267 423 A HN 0.753 nan 8.150 nan 0.000 0.418 424 K N -0.169 119.987 120.400 -0.405 0.000 2.523 424 K HA 0.738 5.058 4.320 -0.000 0.000 0.257 424 K C -1.118 175.509 176.600 0.045 0.000 0.932 424 K CA -0.758 55.427 56.287 -0.170 0.000 0.812 424 K CB 1.995 34.433 32.500 -0.103 0.000 1.326 424 K HN 1.064 nan 8.250 nan 0.000 0.433 425 V N -0.244 119.734 119.914 0.106 0.000 2.628 425 V HA 0.679 4.799 4.120 -0.000 0.000 0.306 425 V C -0.608 175.599 176.094 0.188 0.000 1.045 425 V CA -0.888 61.503 62.300 0.152 0.000 0.905 425 V CB 1.245 33.156 31.823 0.145 0.000 0.997 425 V HN 0.828 nan 8.190 nan 0.000 0.436 426 I N 3.525 124.208 120.570 0.188 0.000 2.362 426 I HA 0.539 4.709 4.170 -0.000 0.000 0.289 426 I C -0.391 175.807 176.117 0.135 0.000 0.994 426 I CA -0.030 61.370 61.300 0.167 0.000 1.158 426 I CB 1.412 39.525 38.000 0.189 0.000 1.315 426 I HN 0.683 nan 8.210 nan 0.000 0.451 427 C N 4.550 123.925 119.300 0.126 0.000 2.411 427 C HA 0.332 4.792 4.460 -0.000 0.000 0.330 427 C C 0.390 175.373 174.990 -0.011 0.000 1.224 427 C CA -0.897 58.165 59.018 0.073 0.000 1.770 427 C CB 1.114 28.944 27.740 0.149 0.000 2.297 427 C HN 0.746 nan 8.230 nan 0.000 0.507 428 N N 1.983 120.610 118.700 -0.121 0.000 2.462 428 N HA 0.252 4.992 4.740 -0.000 0.000 0.242 428 N C 0.735 176.158 175.510 -0.145 0.000 1.010 428 N CA -0.512 52.384 53.050 -0.257 0.000 0.939 428 N CB 0.537 38.670 38.487 -0.589 0.000 1.127 428 N HN 0.661 nan 8.380 nan 0.000 0.509 429 L N 3.066 124.241 121.223 -0.080 0.000 2.265 429 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 429 L C 1.996 178.839 176.870 -0.044 0.000 1.117 429 L CA 0.764 55.582 54.840 -0.035 0.000 0.782 429 L CB -0.151 41.903 42.059 -0.010 0.000 0.914 429 L HN 0.530 nan 8.230 nan 0.000 0.441 430 K N -0.560 119.796 120.400 -0.074 0.000 2.487 430 K HA -0.016 4.304 4.320 -0.000 0.000 0.192 430 K C 0.133 176.695 176.600 -0.063 0.000 1.027 430 K CA 0.545 56.801 56.287 -0.052 0.000 1.054 430 K CB 0.022 32.504 32.500 -0.030 0.000 0.824 430 K HN 0.120 nan 8.250 nan 0.000 0.510 431 D N 0.588 120.932 120.400 -0.092 0.000 2.992 431 D HA 0.090 4.730 4.640 -0.000 0.000 0.372 431 D C -0.766 175.497 176.300 -0.061 0.000 1.374 431 D CA -0.187 53.762 54.000 -0.084 0.000 0.769 431 D CB -0.344 40.373 40.800 -0.137 0.000 1.215 431 D HN -0.042 nan 8.370 nan 0.000 0.473 432 N N 1.732 120.409 118.700 -0.039 0.000 2.725 432 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 432 N C -0.763 174.733 175.510 -0.024 0.000 1.103 432 N CA 1.160 54.195 53.050 -0.024 0.000 0.707 432 N CB -1.176 37.299 38.487 -0.021 0.000 1.043 432 N HN 0.633 nan 8.380 nan 0.000 0.553 433 E N -1.916 118.268 120.200 -0.027 0.000 2.252 433 E HA -0.284 4.066 4.350 -0.000 0.000 0.218 433 E C 0.163 176.746 176.600 -0.028 0.000 1.253 433 E CA 0.595 56.988 56.400 -0.013 0.000 0.705 433 E CB -0.733 28.984 29.700 0.029 0.000 1.172 433 E HN 0.398 nan 8.360 nan 0.000 0.369 434 R N 0.460 120.924 120.500 -0.060 0.000 2.538 434 R HA 0.091 4.431 4.340 -0.000 0.000 0.282 434 R C -0.393 175.887 176.300 -0.033 0.000 1.009 434 R CA 0.122 56.190 56.100 -0.053 0.000 1.063 434 R CB 0.694 30.943 30.300 -0.085 0.000 0.945 434 R HN 0.072 nan 8.270 nan 0.000 0.414 435 V N 7.267 127.183 119.914 0.004 0.000 2.405 435 V HA 0.027 4.147 4.120 -0.000 0.000 0.264 435 V C 1.031 177.156 176.094 0.052 0.000 1.048 435 V CA 0.281 62.608 62.300 0.044 0.000 0.966 435 V CB 0.915 32.781 31.823 0.071 0.000 1.015 435 V HN 0.817 nan 8.190 nan 0.000 0.477 436 V N 2.089 122.046 119.914 0.072 0.000 3.643 436 V HA 0.656 4.776 4.120 -0.000 0.000 0.280 436 V C 0.717 176.896 176.094 0.141 0.000 1.351 436 V CA 0.660 63.023 62.300 0.105 0.000 1.073 436 V CB 0.287 32.191 31.823 0.135 0.000 0.863 436 V HN 0.791 nan 8.190 nan 0.000 0.436 437 G N -0.032 108.861 108.800 0.155 0.000 2.753 437 G HA2 0.602 4.562 3.960 -0.000 0.000 0.297 437 G HA3 0.602 4.562 3.960 -0.000 0.000 0.297 437 G C -1.975 173.026 174.900 0.169 0.000 1.430 437 G CA -0.566 44.636 45.100 0.169 0.000 1.040 437 G HN 0.308 nan 8.290 nan 0.000 0.530 438 F N 2.220 122.034 119.950 -0.226 0.000 2.562 438 F HA 0.715 5.242 4.527 -0.000 0.000 0.319 438 F C -1.252 174.307 175.800 -0.402 0.000 1.154 438 F CA -0.744 57.118 58.000 -0.230 0.000 0.931 438 F CB 1.768 40.588 39.000 -0.301 0.000 1.198 438 F HN 0.545 nan 8.300 nan 0.000 0.444 439 H N 4.289 123.125 119.070 -0.389 0.000 2.759 439 H HA 0.699 5.255 4.556 -0.000 0.000 0.354 439 H C -1.422 173.883 175.328 -0.037 0.000 1.074 439 H CA -0.932 55.106 56.048 -0.016 0.000 1.226 439 H CB 2.268 32.164 29.762 0.223 0.000 1.648 439 H HN 0.565 nan 8.280 nan 0.000 0.529 440 V N 4.332 124.422 119.914 0.292 0.000 2.808 440 V HA 0.492 4.612 4.120 -0.000 0.000 0.308 440 V C -1.736 174.632 176.094 0.456 0.000 1.099 440 V CA -0.751 61.753 62.300 0.339 0.000 0.920 440 V CB 1.932 33.977 31.823 0.371 0.000 1.014 440 V HN 0.595 nan 8.190 nan 0.000 0.425 441 L N 6.673 128.131 121.223 0.393 0.000 2.342 441 L HA 1.042 5.382 4.340 -0.000 0.000 0.276 441 L C 0.061 177.075 176.870 0.240 0.000 0.997 441 L CA 1.087 56.111 54.840 0.306 0.000 0.838 441 L CB 1.119 43.306 42.059 0.214 0.000 1.224 441 L HN 1.089 nan 8.230 nan 0.000 0.416 442 G N 4.214 113.163 108.800 0.249 0.000 2.313 442 G HA2 0.295 4.255 3.960 -0.000 0.000 0.296 442 G HA3 0.295 4.255 3.960 -0.000 0.000 0.296 442 G C -3.401 171.657 174.900 0.265 0.000 1.356 442 G CA -0.730 44.502 45.100 0.221 0.000 0.833 442 G HN 0.328 nan 8.290 nan 0.000 0.552 443 P HA 0.176 nan 4.420 nan 0.000 0.271 443 P C -0.136 177.309 177.300 0.241 0.000 1.218 443 P CA 0.105 63.372 63.100 0.279 0.000 0.780 443 P CB 0.434 32.287 31.700 0.254 0.000 0.901 444 N N 0.343 119.195 118.700 0.252 0.000 2.721 444 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 444 N C 1.195 176.835 175.510 0.216 0.000 1.072 444 N CA 0.958 54.144 53.050 0.226 0.000 0.710 444 N CB -1.823 36.767 38.487 0.171 0.000 0.993 444 N HN 0.597 nan 8.380 nan 0.000 0.547 445 A N 0.321 123.273 122.820 0.221 0.000 1.915 445 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 445 A C 2.357 180.025 177.584 0.140 0.000 1.198 445 A CA 2.550 54.702 52.037 0.191 0.000 0.647 445 A CB -1.099 17.988 19.000 0.146 0.000 0.825 445 A HN 0.579 nan 8.150 nan 0.000 0.456 446 G N -0.543 108.324 108.800 0.111 0.000 2.459 446 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 446 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 446 G C 1.354 176.320 174.900 0.109 0.000 1.183 446 G CA 1.032 46.192 45.100 0.100 0.000 0.776 446 G HN 0.543 nan 8.290 nan 0.000 0.552 447 E N 0.545 120.825 120.200 0.134 0.000 2.058 447 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 447 E C 2.864 179.521 176.600 0.094 0.000 0.997 447 E CA 1.096 57.554 56.400 0.097 0.000 0.801 447 E CB -0.832 28.927 29.700 0.097 0.000 0.746 447 E HN 0.335 nan 8.360 nan 0.000 0.450 448 V N 1.500 121.506 119.914 0.153 0.000 2.343 448 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 448 V C 2.395 178.624 176.094 0.225 0.000 1.051 448 V CA 2.235 64.673 62.300 0.229 0.000 1.036 448 V CB -0.935 31.078 31.823 0.317 0.000 0.654 448 V HN 0.282 nan 8.190 nan 0.000 0.451 449 T N -0.927 113.713 114.554 0.143 0.000 2.812 449 T HA -0.209 4.141 4.350 -0.000 0.000 0.264 449 T C 1.904 176.520 174.700 -0.141 0.000 1.042 449 T CA 1.503 63.592 62.100 -0.017 0.000 1.140 449 T CB -0.240 68.649 68.868 0.035 0.000 0.870 449 T HN 0.426 nan 8.240 nan 0.000 0.445 450 Q N 1.483 121.239 119.800 -0.072 0.000 2.062 450 Q HA -0.122 4.218 4.340 -0.000 0.000 0.209 450 Q C 2.378 178.281 176.000 -0.163 0.000 0.996 450 Q CA 2.412 58.155 55.803 -0.100 0.000 0.859 450 Q CB -1.120 27.584 28.738 -0.056 0.000 0.920 450 Q HN 0.513 nan 8.270 nan 0.000 0.415 451 G N -1.383 107.301 108.800 -0.194 0.000 2.422 451 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 451 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 451 G C 1.076 175.718 174.900 -0.429 0.000 1.146 451 G CA 0.775 45.689 45.100 -0.309 0.000 0.769 451 G HN 0.405 nan 8.290 nan 0.000 0.547 452 F N 1.583 121.255 119.950 -0.464 0.000 2.259 452 F HA 0.169 4.696 4.527 -0.000 0.000 0.298 452 F C 2.955 178.428 175.800 -0.546 0.000 1.088 452 F CA 0.672 58.279 58.000 -0.653 0.000 1.358 452 F CB -0.167 38.002 39.000 -1.385 0.000 1.040 452 F HN 0.226 nan 8.300 nan 0.000 0.505 453 A N 0.162 122.791 122.820 -0.318 0.000 1.940 453 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 453 A C 2.441 179.924 177.584 -0.167 0.000 1.176 453 A CA 1.762 53.666 52.037 -0.221 0.000 0.631 453 A CB -1.253 17.639 19.000 -0.181 0.000 0.814 453 A HN 0.305 nan 8.150 nan 0.000 0.446 454 A N -0.073 122.640 122.820 -0.179 0.000 1.883 454 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 454 A C 2.522 180.023 177.584 -0.139 0.000 1.186 454 A CA 2.261 54.209 52.037 -0.149 0.000 0.624 454 A CB -1.073 17.832 19.000 -0.158 0.000 0.822 454 A HN 1.116 nan 8.150 nan 0.000 0.444 455 A N -0.891 121.827 122.820 -0.171 0.000 1.933 455 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 455 A C 2.048 179.585 177.584 -0.079 0.000 1.175 455 A CA 1.636 53.596 52.037 -0.128 0.000 0.628 455 A CB -0.536 18.378 19.000 -0.142 0.000 0.814 455 A HN 0.409 nan 8.150 nan 0.000 0.444 456 L N -0.101 121.072 121.223 -0.083 0.000 2.079 456 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 456 L C 2.330 179.174 176.870 -0.042 0.000 1.081 456 L CA 1.653 56.462 54.840 -0.051 0.000 0.752 456 L CB -0.332 41.693 42.059 -0.057 0.000 0.896 456 L HN 0.209 nan 8.230 nan 0.000 0.433 457 K N -1.002 119.364 120.400 -0.057 0.000 2.280 457 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 457 K C 1.580 178.157 176.600 -0.039 0.000 1.047 457 K CA 1.099 57.359 56.287 -0.045 0.000 0.942 457 K CB -0.504 31.962 32.500 -0.056 0.000 0.739 457 K HN 0.411 nan 8.250 nan 0.000 0.457 458 C N 0.401 119.674 119.300 -0.045 0.000 2.693 458 C HA 0.274 4.734 4.460 -0.000 0.000 0.286 458 C C 1.122 176.095 174.990 -0.028 0.000 1.277 458 C CA -0.320 58.675 59.018 -0.038 0.000 1.705 458 C CB -0.926 26.785 27.740 -0.048 0.000 1.879 458 C HN 0.598 nan 8.230 nan 0.000 0.607 459 G N 1.676 110.463 108.800 -0.022 0.000 2.295 459 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 459 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 459 G C -0.063 174.827 174.900 -0.015 0.000 1.055 459 G CA 0.183 45.275 45.100 -0.015 0.000 0.922 459 G HN 0.644 nan 8.290 nan 0.000 0.503 460 L N 1.963 123.178 121.223 -0.014 0.000 2.667 460 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 460 L C 1.211 178.081 176.870 -0.000 0.000 1.217 460 L CA 1.067 55.905 54.840 -0.004 0.000 0.935 460 L CB 0.132 42.198 42.059 0.013 0.000 1.193 460 L HN 0.635 nan 8.230 nan 0.000 0.493 461 T N 1.216 115.766 114.554 -0.008 0.000 2.934 461 T HA 0.320 4.670 4.350 -0.000 0.000 0.283 461 T C 0.956 175.643 174.700 -0.021 0.000 1.005 461 T CA -0.471 61.620 62.100 -0.015 0.000 1.041 461 T CB 1.477 70.334 68.868 -0.020 0.000 1.042 461 T HN 0.629 nan 8.240 nan 0.000 0.505 462 K N 0.874 121.249 120.400 -0.043 0.000 2.113 462 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 462 K C 2.377 178.922 176.600 -0.092 0.000 1.047 462 K CA 2.300 58.526 56.287 -0.103 0.000 0.928 462 K CB -0.482 31.918 32.500 -0.167 0.000 0.716 462 K HN 0.865 nan 8.250 nan 0.000 0.446 463 Q N -0.439 119.329 119.800 -0.054 0.000 2.187 463 Q HA -0.145 4.195 4.340 -0.000 0.000 0.199 463 Q C 1.933 177.917 176.000 -0.026 0.000 0.957 463 Q CA 1.064 56.843 55.803 -0.040 0.000 0.857 463 Q CB -0.250 28.474 28.738 -0.024 0.000 0.929 463 Q HN 0.419 nan 8.270 nan 0.000 0.453 464 Q N 0.360 120.149 119.800 -0.019 0.000 2.124 464 Q HA -0.132 4.207 4.340 -0.000 0.000 0.202 464 Q C 2.121 178.122 176.000 0.003 0.000 0.977 464 Q CA 1.280 57.077 55.803 -0.010 0.000 0.850 464 Q CB -0.071 28.661 28.738 -0.011 0.000 0.901 464 Q HN 0.331 nan 8.270 nan 0.000 0.429 465 L N 1.434 122.664 121.223 0.012 0.000 2.012 465 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 465 L C 1.425 178.315 176.870 0.034 0.000 1.073 465 L CA 1.971 56.842 54.840 0.052 0.000 0.748 465 L CB -0.508 41.584 42.059 0.055 0.000 0.891 465 L HN 0.128 nan 8.230 nan 0.000 0.431 466 D N -1.133 119.258 120.400 -0.014 0.000 2.264 466 D HA -0.106 4.534 4.640 -0.000 0.000 0.208 466 D C 2.278 178.576 176.300 -0.004 0.000 0.966 466 D CA 1.287 55.276 54.000 -0.019 0.000 0.864 466 D CB -0.010 40.762 40.800 -0.047 0.000 0.933 466 D HN 0.574 nan 8.370 nan 0.000 0.499 467 S N -0.762 114.936 115.700 -0.003 0.000 2.528 467 S HA -0.001 4.469 4.470 -0.000 0.000 0.219 467 S C 1.008 175.609 174.600 0.001 0.000 0.985 467 S CA -0.081 58.117 58.200 -0.003 0.000 0.914 467 S CB -0.129 63.066 63.200 -0.008 0.000 0.776 467 S HN -0.091 nan 8.310 nan 0.000 0.526 468 T N 4.592 119.153 114.554 0.011 0.000 2.851 468 T HA 0.362 4.712 4.350 -0.000 0.000 0.298 468 T C 0.038 174.752 174.700 0.022 0.000 0.977 468 T CA -0.329 61.779 62.100 0.012 0.000 1.126 468 T CB 0.355 69.238 68.868 0.025 0.000 0.916 468 T HN 0.175 nan 8.240 nan 0.000 0.529 469 I N 3.154 123.732 120.570 0.012 0.000 2.428 469 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 469 I C 1.353 177.487 176.117 0.028 0.000 1.019 469 I CA -0.402 60.907 61.300 0.015 0.000 1.351 469 I CB 0.495 38.498 38.000 0.005 0.000 1.412 469 I HN 0.675 nan 8.210 nan 0.000 0.513 470 G N 6.360 115.183 108.800 0.037 0.000 2.606 470 G HA2 0.464 4.424 3.960 -0.000 0.000 0.252 470 G HA3 0.464 4.424 3.960 -0.000 0.000 0.252 470 G C -0.148 174.787 174.900 0.059 0.000 1.206 470 G CA -0.559 44.576 45.100 0.059 0.000 0.861 470 G HN 0.538 nan 8.290 nan 0.000 0.561 471 I N 0.152 120.764 120.570 0.070 0.000 2.353 471 I HA 0.243 4.413 4.170 -0.000 0.000 0.293 471 I C -0.172 176.019 176.117 0.124 0.000 0.992 471 I CA -0.646 60.697 61.300 0.072 0.000 1.268 471 I CB 1.579 39.604 38.000 0.042 0.000 1.387 471 I HN 0.487 nan 8.210 nan 0.000 0.478 472 H N 7.100 126.172 119.070 0.003 0.000 2.495 472 H HA 0.594 5.150 4.556 -0.000 0.000 0.348 472 H C -2.534 172.794 175.328 0.001 0.000 1.113 472 H CA -1.973 54.076 56.048 0.002 0.000 1.195 472 H CB 1.703 31.467 29.762 0.003 0.000 1.521 472 H HN 0.296 nan 8.280 nan 0.000 0.509 473 P HA 0.374 nan 4.420 nan 0.000 0.300 473 P C -1.469 175.744 177.300 -0.144 0.000 1.375 473 P CA -0.573 62.244 63.100 -0.472 0.000 0.864 473 P CB 1.362 32.660 31.700 -0.671 0.000 0.958 474 V N 2.653 122.547 119.914 -0.034 0.000 2.888 474 V HA 0.068 4.188 4.120 -0.000 0.000 0.309 474 V C 1.200 177.283 176.094 -0.018 0.000 1.114 474 V CA -0.500 61.791 62.300 -0.015 0.000 0.940 474 V CB 1.989 33.819 31.823 0.012 0.000 1.021 474 V HN 0.639 nan 8.190 nan 0.000 0.426 475 C N 2.594 121.875 119.300 -0.032 0.000 2.401 475 C HA -0.162 4.298 4.460 -0.000 0.000 0.276 475 C C 2.781 177.623 174.990 -0.247 0.000 1.233 475 C CA 1.584 60.516 59.018 -0.144 0.000 1.753 475 C CB -1.059 26.681 27.740 0.001 0.000 2.029 475 C HN 1.043 nan 8.230 nan 0.000 0.478 476 A N 1.298 124.109 122.820 -0.015 0.000 2.024 476 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 476 A C 2.104 179.792 177.584 0.173 0.000 1.164 476 A CA 1.908 54.045 52.037 0.166 0.000 0.643 476 A CB -0.750 18.410 19.000 0.266 0.000 0.806 476 A HN 0.859 nan 8.150 nan 0.000 0.451 477 E N -0.337 119.898 120.200 0.058 0.000 2.267 477 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 477 E C 1.644 178.230 176.600 -0.023 0.000 0.998 477 E CA 1.238 57.675 56.400 0.062 0.000 0.830 477 E CB -0.490 29.249 29.700 0.064 0.000 0.751 477 E HN 0.436 nan 8.360 nan 0.000 0.491 478 I N 0.954 121.396 120.570 -0.213 0.000 2.315 478 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 478 I C 1.525 177.427 176.117 -0.359 0.000 1.125 478 I CA 1.137 62.210 61.300 -0.378 0.000 1.392 478 I CB -0.422 37.107 38.000 -0.786 0.000 1.065 478 I HN 0.085 nan 8.210 nan 0.000 0.424 479 F N 0.265 120.112 119.950 -0.171 0.000 2.502 479 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 479 F C 2.523 178.297 175.800 -0.042 0.000 1.111 479 F CA 1.436 59.343 58.000 -0.156 0.000 1.445 479 F CB -1.069 37.765 39.000 -0.276 0.000 1.081 479 F HN 0.227 nan 8.300 nan 0.000 0.558 480 T N -4.378 110.267 114.554 0.151 0.000 3.113 480 T HA -0.020 4.330 4.350 -0.000 0.000 0.256 480 T C 1.230 175.946 174.700 0.027 0.000 1.131 480 T CA 1.105 63.271 62.100 0.109 0.000 1.074 480 T CB -0.573 68.357 68.868 0.102 0.000 0.944 480 T HN 0.229 nan 8.240 nan 0.000 0.516 481 T N -0.208 114.338 114.554 -0.013 0.000 3.393 481 T HA 0.454 4.804 4.350 -0.000 0.000 0.298 481 T C 0.083 174.763 174.700 -0.032 0.000 1.004 481 T CA -0.662 61.423 62.100 -0.025 0.000 0.956 481 T CB -0.695 68.159 68.868 -0.024 0.000 1.182 481 T HN 0.308 nan 8.240 nan 0.000 0.497 482 L N 2.993 124.186 121.223 -0.050 0.000 2.456 482 L HA 0.342 4.682 4.340 -0.000 0.000 0.277 482 L C 1.376 178.310 176.870 0.106 0.000 1.124 482 L CA -0.240 54.599 54.840 -0.002 0.000 0.880 482 L CB 0.524 42.572 42.059 -0.017 0.000 1.192 482 L HN 0.505 nan 8.230 nan 0.000 0.463 483 S N 1.064 116.858 115.700 0.157 0.000 2.604 483 S HA 0.157 4.627 4.470 -0.000 0.000 0.235 483 S C 0.288 175.022 174.600 0.223 0.000 1.043 483 S CA -0.394 57.934 58.200 0.213 0.000 0.997 483 S CB 0.525 63.790 63.200 0.108 0.000 0.956 483 S HN 0.230 nan 8.310 nan 0.000 0.535 484 V N 4.228 124.250 119.914 0.179 0.000 2.364 484 V HA 0.485 4.605 4.120 -0.000 0.000 0.272 484 V C 0.619 176.764 176.094 0.085 0.000 1.036 484 V CA -0.289 62.083 62.300 0.121 0.000 0.880 484 V CB 0.730 32.623 31.823 0.117 0.000 0.991 484 V HN 0.625 nan 8.190 nan 0.000 0.460 485 T N 1.498 115.990 114.554 -0.102 0.000 2.899 485 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 485 T C 0.960 175.540 174.700 -0.200 0.000 1.004 485 T CA -0.606 61.312 62.100 -0.304 0.000 1.043 485 T CB 1.572 70.165 68.868 -0.459 0.000 1.013 485 T HN 0.521 nan 8.240 nan 0.000 0.518 486 K N 0.211 120.384 120.400 -0.379 0.000 2.057 486 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 486 K C 2.565 179.078 176.600 -0.146 0.000 1.049 486 K CA 1.070 57.166 56.287 -0.318 0.000 0.931 486 K CB -0.122 32.142 32.500 -0.393 0.000 0.714 486 K HN 0.680 nan 8.250 nan 0.000 0.440 487 R N 0.431 120.837 120.500 -0.157 0.000 2.091 487 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 487 R C 2.095 178.354 176.300 -0.070 0.000 1.136 487 R CA 2.067 58.106 56.100 -0.102 0.000 0.959 487 R CB -0.298 29.936 30.300 -0.110 0.000 0.856 487 R HN 0.268 nan 8.270 nan 0.000 0.437 488 S N -0.885 114.770 115.700 -0.076 0.000 2.469 488 S HA -0.015 4.455 4.470 -0.000 0.000 0.238 488 S C 1.573 176.167 174.600 -0.009 0.000 0.998 488 S CA 0.969 59.146 58.200 -0.038 0.000 0.957 488 S CB -0.323 62.856 63.200 -0.034 0.000 0.764 488 S HN 0.679 nan 8.310 nan 0.000 0.514 489 G N 0.767 109.568 108.800 0.001 0.000 2.196 489 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.268 489 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.268 489 G C 0.503 175.433 174.900 0.049 0.000 0.975 489 G CA 0.256 45.372 45.100 0.027 0.000 0.648 489 G HN 1.216 nan 8.290 nan 0.000 0.538 490 G N -0.166 108.667 108.800 0.054 0.000 2.484 490 G HA2 0.387 4.347 3.960 -0.000 0.000 0.235 490 G HA3 0.387 4.347 3.960 -0.000 0.000 0.235 490 G C 0.051 174.996 174.900 0.076 0.000 1.282 490 G CA 0.608 45.743 45.100 0.058 0.000 0.857 490 G HN 0.595 nan 8.290 nan 0.000 0.571 491 D N -0.251 120.184 120.400 0.058 0.000 2.424 491 D HA 0.172 4.812 4.640 -0.000 0.000 0.244 491 D C 1.314 177.651 176.300 0.061 0.000 1.134 491 D CA -0.083 53.952 54.000 0.059 0.000 0.881 491 D CB 0.533 41.358 40.800 0.042 0.000 1.191 491 D HN 0.321 nan 8.370 nan 0.000 0.445 492 I N 0.364 120.979 120.570 0.075 0.000 4.050 492 I HA 0.272 4.442 4.170 -0.000 0.000 0.327 492 I C -0.376 175.873 176.117 0.219 0.000 1.473 492 I CA -0.559 60.788 61.300 0.078 0.000 1.124 492 I CB -0.000 37.929 38.000 -0.118 0.000 1.129 492 I HN 0.124 nan 8.210 nan 0.000 0.428 493 L N 2.854 124.169 121.223 0.152 0.000 2.367 493 L HA 0.266 4.606 4.340 -0.000 0.000 0.275 493 L C 0.605 177.494 176.870 0.032 0.000 1.129 493 L CA -0.269 54.602 54.840 0.053 0.000 0.839 493 L CB 0.433 42.460 42.059 -0.054 0.000 1.133 493 L HN 0.268 nan 8.230 nan 0.000 0.453 494 Q N 1.685 121.494 119.800 0.014 0.000 2.631 494 Q HA 0.166 4.506 4.340 -0.000 0.000 0.210 494 Q C 0.095 176.076 176.000 -0.033 0.000 1.094 494 Q CA -0.034 55.780 55.803 0.020 0.000 1.055 494 Q CB 0.685 29.457 28.738 0.056 0.000 1.261 494 Q HN 0.599 nan 8.270 nan 0.000 0.615 495 S N -1.095 114.602 115.700 -0.005 0.000 2.673 495 S HA 0.503 4.973 4.470 -0.000 0.000 0.256 495 S C -0.450 174.197 174.600 0.079 0.000 1.141 495 S CA 0.302 58.540 58.200 0.064 0.000 1.109 495 S CB -0.079 63.158 63.200 0.062 0.000 1.101 495 S HN 1.018 nan 8.310 nan 0.000 0.471 496 G N 2.577 111.425 108.800 0.080 0.000 2.799 496 G HA2 0.011 3.971 3.960 -0.000 0.000 0.271 496 G HA3 0.011 3.971 3.960 -0.000 0.000 0.271 496 G C 0.466 175.436 174.900 0.116 0.000 1.067 496 G CA -0.209 44.941 45.100 0.083 0.000 1.251 496 G HN 2.065 nan 8.290 nan 0.000 0.560 499 G N 0.000 108.808 108.800 0.013 0.000 5.446 499 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 499 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 499 G CA 0.000 45.100 45.100 0.000 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925