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_B 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 0.000 174.519 174.600 -0.135 0.000 1.055 10 S CA 0.000 58.083 58.200 -0.195 0.000 1.107 10 S CB 0.000 62.990 63.200 -0.349 0.000 0.593 11 Y N 3.621 123.898 120.300 -0.038 0.000 2.757 11 Y HA 0.136 4.686 4.550 -0.000 0.000 0.344 11 Y C 1.718 177.584 175.900 -0.057 0.000 1.263 11 Y CA 0.583 58.672 58.100 -0.018 0.000 1.493 11 Y CB 0.267 38.730 38.460 0.006 0.000 1.342 11 Y HN 0.332 nan 8.280 nan 0.000 0.627 12 D N 0.986 121.464 120.400 0.130 0.000 2.144 12 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 12 D C -0.464 175.522 176.300 -0.524 0.000 0.978 12 D CA 1.618 55.512 54.000 -0.177 0.000 0.833 12 D CB 0.126 40.878 40.800 -0.081 0.000 0.961 12 D HN 0.186 nan 8.370 nan 0.000 0.470 13 F N -0.161 119.831 119.950 0.071 0.000 2.588 13 F HA 0.196 4.723 4.527 -0.000 0.000 0.310 13 F C 1.032 176.805 175.800 -0.045 0.000 1.082 13 F CA -1.077 56.913 58.000 -0.017 0.000 0.929 13 F CB 1.641 40.586 39.000 -0.092 0.000 1.254 13 F HN -0.364 nan 8.300 nan 0.000 0.455 14 D N 0.777 121.273 120.400 0.161 0.000 2.117 14 D HA -0.052 4.588 4.640 -0.000 0.000 0.198 14 D C 0.034 176.360 176.300 0.043 0.000 0.982 14 D CA 1.687 55.736 54.000 0.080 0.000 0.828 14 D CB 0.436 41.242 40.800 0.009 0.000 0.967 14 D HN 0.161 nan 8.370 nan 0.000 0.464 15 L N 0.547 121.776 121.223 0.010 0.000 2.470 15 L HA 0.396 4.736 4.340 -0.000 0.000 0.268 15 L C -1.482 175.263 176.870 -0.208 0.000 0.964 15 L CA -0.400 54.400 54.840 -0.067 0.000 0.839 15 L CB 2.121 44.212 42.059 0.052 0.000 1.276 15 L HN -0.226 nan 8.230 nan 0.000 0.403 16 I N 6.015 126.364 120.570 -0.368 0.000 2.362 16 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 16 I C -0.552 175.498 176.117 -0.112 0.000 0.994 16 I CA -0.433 60.665 61.300 -0.338 0.000 1.158 16 I CB 1.650 39.423 38.000 -0.378 0.000 1.315 16 I HN 0.508 nan 8.210 nan 0.000 0.451 17 I N 7.365 127.874 120.570 -0.101 0.000 2.321 17 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 17 I C -0.241 175.857 176.117 -0.031 0.000 0.998 17 I CA -0.378 60.909 61.300 -0.023 0.000 1.227 17 I CB 1.154 39.132 38.000 -0.038 0.000 1.368 17 I HN 0.375 nan 8.210 nan 0.000 0.466 18 I N 6.437 127.006 120.570 -0.000 0.000 2.291 18 I HA 0.569 4.739 4.170 -0.000 0.000 0.290 18 I C 0.526 176.617 176.117 -0.044 0.000 1.050 18 I CA -0.210 61.053 61.300 -0.061 0.000 1.245 18 I CB 0.766 38.698 38.000 -0.112 0.000 1.405 18 I HN 0.797 nan 8.210 nan 0.000 0.478 19 G N 3.645 112.419 108.800 -0.044 0.000 3.367 19 G HA2 0.063 4.023 3.960 -0.000 0.000 0.686 19 G HA3 0.063 4.023 3.960 -0.000 0.000 0.686 19 G C -0.111 174.776 174.900 -0.021 0.000 1.146 19 G CA -0.555 44.535 45.100 -0.018 0.000 0.913 19 G HN 0.961 nan 8.290 nan 0.000 0.554 20 G N 0.843 109.628 108.800 -0.025 0.000 4.294 20 G HA2 0.693 4.653 3.960 -0.000 0.000 0.301 20 G HA3 0.693 4.653 3.960 -0.000 0.000 0.301 20 G C 0.818 175.632 174.900 -0.144 0.000 1.321 20 G CA 0.878 45.925 45.100 -0.089 0.000 1.190 20 G HN 1.252 nan 8.290 nan 0.000 0.600 21 G N 0.071 108.814 108.800 -0.095 0.000 2.574 21 G HA2 0.365 4.325 3.960 -0.000 0.000 0.248 21 G HA3 0.365 4.325 3.960 -0.000 0.000 0.248 21 G C 1.244 176.058 174.900 -0.143 0.000 1.422 21 G CA 0.382 45.417 45.100 -0.107 0.000 1.051 21 G HN 0.179 nan 8.290 nan 0.000 0.560 22 S N -0.314 115.331 115.700 -0.092 0.000 2.359 22 S HA -0.157 4.313 4.470 -0.000 0.000 0.222 22 S C 2.452 177.029 174.600 -0.039 0.000 1.038 22 S CA 2.069 60.230 58.200 -0.064 0.000 1.051 22 S CB -0.849 62.342 63.200 -0.016 0.000 0.944 22 S HN 0.769 nan 8.310 nan 0.000 0.433 23 G N 0.772 109.565 108.800 -0.011 0.000 2.434 23 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.214 23 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.214 23 G C 1.510 176.407 174.900 -0.005 0.000 1.202 23 G CA 0.966 46.070 45.100 0.007 0.000 0.788 23 G HN 0.588 nan 8.290 nan 0.000 0.539 24 G N 1.135 109.926 108.800 -0.014 0.000 2.599 24 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 24 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 24 G C 1.829 176.702 174.900 -0.045 0.000 1.193 24 G CA 1.096 46.181 45.100 -0.025 0.000 0.778 24 G HN 0.414 nan 8.290 nan 0.000 0.589 25 L N 0.616 121.786 121.223 -0.089 0.000 2.141 25 L HA -0.020 4.319 4.340 -0.000 0.000 0.209 25 L C 3.424 180.278 176.870 -0.026 0.000 1.094 25 L CA 0.830 55.613 54.840 -0.094 0.000 0.763 25 L CB -0.467 41.460 42.059 -0.219 0.000 0.908 25 L HN 0.342 nan 8.230 nan 0.000 0.437 26 A N 0.385 123.197 122.820 -0.014 0.000 1.858 26 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 26 A C 2.580 180.178 177.584 0.024 0.000 1.190 26 A CA 1.826 53.872 52.037 0.014 0.000 0.617 26 A CB -0.762 18.246 19.000 0.013 0.000 0.827 26 A HN 0.381 nan 8.150 nan 0.000 0.443 27 A N -0.214 122.618 122.820 0.020 0.000 1.908 27 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 27 A C 2.516 180.129 177.584 0.048 0.000 1.181 27 A CA 2.332 54.391 52.037 0.036 0.000 0.627 27 A CB -1.050 17.966 19.000 0.027 0.000 0.818 27 A HN 1.085 nan 8.150 nan 0.000 0.445 28 A N -0.148 122.683 122.820 0.019 0.000 1.877 28 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 28 A C 2.181 179.777 177.584 0.020 0.000 1.186 28 A CA 1.955 53.997 52.037 0.009 0.000 0.620 28 A CB -0.480 18.507 19.000 -0.022 0.000 0.822 28 A HN 0.501 nan 8.150 nan 0.000 0.443 29 K N -0.375 120.038 120.400 0.021 0.000 2.097 29 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 29 K C 1.856 178.468 176.600 0.021 0.000 1.049 29 K CA 1.978 58.277 56.287 0.019 0.000 0.933 29 K CB -0.108 32.408 32.500 0.027 0.000 0.717 29 K HN 0.396 nan 8.250 nan 0.000 0.442 30 E N 0.277 120.510 120.200 0.055 0.000 2.076 30 E HA 0.016 4.366 4.350 -0.000 0.000 0.190 30 E C 1.695 178.412 176.600 0.195 0.000 0.979 30 E CA 1.228 57.686 56.400 0.097 0.000 0.807 30 E CB -0.134 29.644 29.700 0.130 0.000 0.761 30 E HN 0.378 nan 8.360 nan 0.000 0.454 31 A N 0.744 123.693 122.820 0.215 0.000 1.933 31 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 31 A C 2.371 180.035 177.584 0.132 0.000 1.175 31 A CA 1.794 53.998 52.037 0.277 0.000 0.628 31 A CB -0.879 18.233 19.000 0.187 0.000 0.814 31 A HN 0.334 nan 8.150 nan 0.000 0.444 32 A N -0.159 122.684 122.820 0.038 0.000 2.019 32 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 32 A C 2.001 179.539 177.584 -0.077 0.000 1.164 32 A CA 1.695 53.721 52.037 -0.018 0.000 0.644 32 A CB -0.436 18.552 19.000 -0.020 0.000 0.805 32 A HN 0.558 nan 8.150 nan 0.000 0.449 33 K N -1.370 118.931 120.400 -0.165 0.000 2.211 33 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 33 K C 0.302 176.576 176.600 -0.543 0.000 1.047 33 K CA 1.276 57.315 56.287 -0.414 0.000 0.935 33 K CB -0.255 31.848 32.500 -0.661 0.000 0.728 33 K HN 0.621 nan 8.250 nan 0.000 0.452 34 F N 0.625 120.554 119.950 -0.034 0.000 2.639 34 F HA 0.080 4.607 4.527 -0.000 0.000 0.300 34 F C -0.092 175.661 175.800 -0.077 0.000 1.109 34 F CA -0.602 57.373 58.000 -0.042 0.000 1.335 34 F CB -0.064 38.925 39.000 -0.017 0.000 1.014 34 F HN -0.013 nan 8.300 nan 0.000 0.537 35 D N 1.908 122.319 120.400 0.019 0.000 2.904 35 D HA -0.201 4.439 4.640 -0.000 0.000 0.231 35 D C -0.524 175.763 176.300 -0.022 0.000 1.185 35 D CA 0.569 54.569 54.000 -0.001 0.000 0.783 35 D CB -0.274 40.531 40.800 0.008 0.000 0.961 35 D HN 0.038 nan 8.370 nan 0.000 0.409 36 K N 1.465 121.825 120.400 -0.068 0.000 2.328 36 K HA 0.410 4.730 4.320 -0.000 0.000 0.246 36 K C 0.193 176.770 176.600 -0.038 0.000 0.955 36 K CA -0.890 55.324 56.287 -0.122 0.000 0.817 36 K CB 1.295 33.574 32.500 -0.368 0.000 1.208 36 K HN 0.105 nan 8.250 nan 0.000 0.432 37 K N 1.567 121.983 120.400 0.026 0.000 2.338 37 K HA 0.253 4.573 4.320 -0.000 0.000 0.290 37 K C -0.417 176.308 176.600 0.209 0.000 1.069 37 K CA -0.268 56.119 56.287 0.165 0.000 0.941 37 K CB 0.573 33.187 32.500 0.191 0.000 1.023 37 K HN 0.188 nan 8.250 nan 0.000 0.477 38 V N 4.590 124.557 119.914 0.089 0.000 2.604 38 V HA 0.446 4.566 4.120 -0.000 0.000 0.305 38 V C -0.437 175.441 176.094 -0.360 0.000 1.043 38 V CA -0.951 61.285 62.300 -0.107 0.000 0.888 38 V CB 1.801 33.577 31.823 -0.078 0.000 0.995 38 V HN 0.777 nan 8.190 nan 0.000 0.429 39 M N 4.547 123.746 119.600 -0.668 0.000 2.326 39 M HA 0.687 5.167 4.480 -0.000 0.000 0.306 39 M C -1.817 174.239 176.300 -0.407 0.000 1.054 39 M CA -0.514 54.335 55.300 -0.751 0.000 0.922 39 M CB 1.964 33.680 32.600 -1.474 0.000 1.632 39 M HN 0.446 nan 8.290 nan 0.000 0.436 40 V N 6.286 126.069 119.914 -0.219 0.000 2.370 40 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 40 V C -0.306 175.761 176.094 -0.044 0.000 1.029 40 V CA -0.607 61.640 62.300 -0.088 0.000 0.870 40 V CB 1.397 33.222 31.823 0.002 0.000 0.984 40 V HN 0.786 nan 8.190 nan 0.000 0.451 41 L N 4.682 125.858 121.223 -0.078 0.000 2.264 41 L HA 0.585 4.925 4.340 -0.000 0.000 0.289 41 L C -0.559 176.332 176.870 0.034 0.000 1.044 41 L CA -0.093 54.715 54.840 -0.054 0.000 0.807 41 L CB 1.267 43.260 42.059 -0.110 0.000 1.192 41 L HN 0.644 nan 8.230 nan 0.000 0.425 42 D N 2.848 123.333 120.400 0.141 0.000 2.863 42 D HA 0.520 5.160 4.640 -0.000 0.000 0.245 42 D C -1.630 174.794 176.300 0.207 0.000 1.211 42 D CA -0.205 53.893 54.000 0.165 0.000 0.888 42 D CB 1.638 42.549 40.800 0.185 0.000 1.483 42 D HN 0.224 nan 8.370 nan 0.000 0.533 43 F N 3.690 123.653 119.950 0.023 0.000 2.581 43 F HA 0.538 5.065 4.527 -0.000 0.000 0.311 43 F C -1.526 174.277 175.800 0.004 0.000 1.113 43 F CA -0.703 57.316 58.000 0.033 0.000 0.935 43 F CB 1.752 40.823 39.000 0.119 0.000 1.232 43 F HN 0.140 nan 8.300 nan 0.000 0.445 44 V N 4.516 124.080 119.914 -0.583 0.000 2.294 44 V HA 0.257 4.377 4.120 -0.000 0.000 0.272 44 V C -0.040 175.799 176.094 -0.425 0.000 1.027 44 V CA -0.576 61.429 62.300 -0.493 0.000 0.823 44 V CB 1.147 32.428 31.823 -0.903 0.000 1.030 44 V HN 0.833 nan 8.190 nan 0.000 0.457 45 T N 4.746 119.302 114.554 0.003 0.000 2.919 45 T HA 0.396 4.746 4.350 -0.000 0.000 0.302 45 T C -2.242 172.379 174.700 -0.132 0.000 1.031 45 T CA -1.263 60.879 62.100 0.070 0.000 1.127 45 T CB 0.995 69.936 68.868 0.122 0.000 0.952 45 T HN 0.412 nan 8.240 nan 0.000 0.540 46 P HA 0.233 nan 4.420 nan 0.000 0.274 46 P C 0.491 177.778 177.300 -0.021 0.000 1.237 46 P CA -0.503 62.521 63.100 -0.127 0.000 0.793 46 P CB 0.193 31.853 31.700 -0.066 0.000 0.977 47 T N -1.245 113.338 114.554 0.049 0.000 2.813 47 T HA 0.149 4.499 4.350 -0.000 0.000 0.297 47 T C -1.699 173.045 174.700 0.073 0.000 1.036 47 T CA -1.244 60.937 62.100 0.135 0.000 1.044 47 T CB -0.640 68.361 68.868 0.222 0.000 0.993 47 T HN 0.200 nan 8.240 nan 0.000 0.535 48 P HA -0.017 nan 4.420 nan 0.000 0.218 48 P C 1.105 178.406 177.300 0.002 0.000 1.146 48 P CA 0.994 64.078 63.100 -0.028 0.000 0.813 48 P CB -0.083 31.536 31.700 -0.136 0.000 0.778 49 L N -3.127 118.130 121.223 0.056 0.000 2.592 49 L HA 0.298 4.638 4.340 -0.000 0.000 0.227 49 L C 1.367 178.278 176.870 0.068 0.000 1.127 49 L CA 0.556 55.435 54.840 0.065 0.000 0.884 49 L CB -0.574 41.546 42.059 0.102 0.000 1.065 49 L HN 0.115 nan 8.230 nan 0.000 0.457 50 G N -0.111 108.724 108.800 0.059 0.000 2.144 50 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 50 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 50 G C 0.273 175.205 174.900 0.054 0.000 0.988 50 G CA 0.029 45.154 45.100 0.042 0.000 0.659 50 G HN 0.228 nan 8.290 nan 0.000 0.522 51 T N 1.068 115.684 114.554 0.104 0.000 2.870 51 T HA 0.571 4.921 4.350 -0.000 0.000 0.300 51 T C 0.679 175.413 174.700 0.056 0.000 0.989 51 T CA 0.323 62.524 62.100 0.169 0.000 1.139 51 T CB 1.043 70.096 68.868 0.309 0.000 0.920 51 T HN 0.505 nan 8.240 nan 0.000 0.537 52 R N 1.414 121.930 120.500 0.026 0.000 2.892 52 R HA 0.802 5.142 4.340 -0.000 0.000 0.265 52 R C -1.180 175.144 176.300 0.039 0.000 1.025 52 R CA -0.846 55.111 56.100 -0.239 0.000 0.982 52 R CB 1.654 31.833 30.300 -0.202 0.000 1.185 52 R HN 0.825 nan 8.270 nan 0.000 0.484 53 W N -1.397 119.874 121.300 -0.049 0.000 3.005 53 W HA 0.727 5.387 4.660 -0.000 0.000 0.343 53 W C -0.488 175.973 176.519 -0.096 0.000 1.243 53 W CA -1.390 55.925 57.345 -0.049 0.000 1.186 53 W CB 0.070 29.518 29.460 -0.020 0.000 1.453 53 W HN 0.675 nan 8.180 nan 0.000 0.575 54 G N 0.596 109.490 108.800 0.157 0.000 2.535 54 G HA2 0.438 4.398 3.960 -0.000 0.000 0.282 54 G HA3 0.438 4.398 3.960 -0.000 0.000 0.282 54 G C -0.917 173.988 174.900 0.009 0.000 1.350 54 G CA -1.007 44.080 45.100 -0.023 0.000 1.039 54 G HN 0.805 nan 8.290 nan 0.000 0.509 55 L N -0.024 121.121 121.223 -0.130 0.000 2.529 55 L HA 0.387 4.727 4.340 -0.000 0.000 0.287 55 L C 1.450 178.233 176.870 -0.144 0.000 1.241 55 L CA 2.250 56.980 54.840 -0.183 0.000 0.857 55 L CB 0.845 42.673 42.059 -0.386 0.000 1.113 55 L HN 1.264 nan 8.230 nan 0.000 0.504 56 G N 1.247 109.904 108.800 -0.238 0.000 2.318 56 G HA2 0.302 4.262 3.960 -0.000 0.000 0.172 56 G HA3 0.302 4.262 3.960 -0.000 0.000 0.172 56 G C 0.763 175.534 174.900 -0.214 0.000 1.002 56 G CA 0.076 44.941 45.100 -0.392 0.000 0.697 56 G HN 1.853 nan 8.290 nan 0.000 0.483 57 G N -1.045 107.729 108.800 -0.044 0.000 2.681 57 G HA2 0.071 4.031 3.960 -0.000 0.000 0.220 57 G HA3 0.071 4.031 3.960 -0.000 0.000 0.220 57 G C 0.797 175.718 174.900 0.035 0.000 1.353 57 G CA 0.677 45.796 45.100 0.033 0.000 0.872 57 G HN 1.108 nan 8.290 nan 0.000 0.557 58 T N -0.446 114.129 114.554 0.034 0.000 2.701 58 T HA -0.150 4.200 4.350 -0.000 0.000 0.263 58 T C 2.514 177.157 174.700 -0.095 0.000 1.040 58 T CA 2.614 64.700 62.100 -0.024 0.000 1.147 58 T CB -0.646 68.250 68.868 0.046 0.000 0.865 58 T HN 1.143 nan 8.240 nan 0.000 0.426 59 C N 1.355 120.625 119.300 -0.049 0.000 2.398 59 C HA -0.096 4.364 4.460 -0.000 0.000 0.276 59 C C 2.745 177.671 174.990 -0.107 0.000 1.222 59 C CA 0.881 59.864 59.018 -0.058 0.000 1.746 59 C CB -1.252 26.476 27.740 -0.020 0.000 2.039 59 C HN 0.374 nan 8.230 nan 0.000 0.470 60 V N 1.662 121.522 119.914 -0.090 0.000 2.358 60 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 60 V C 2.279 178.274 176.094 -0.165 0.000 1.047 60 V CA 2.445 64.698 62.300 -0.078 0.000 1.035 60 V CB -0.636 31.185 31.823 -0.004 0.000 0.658 60 V HN 0.615 nan 8.190 nan 0.000 0.452 61 N N -0.132 118.414 118.700 -0.258 0.000 2.432 61 N HA 0.030 4.769 4.740 -0.000 0.000 0.174 61 N C 1.024 176.212 175.510 -0.537 0.000 1.037 61 N CA 1.519 54.321 53.050 -0.413 0.000 0.892 61 N CB 1.276 39.355 38.487 -0.679 0.000 1.049 61 N HN 0.540 nan 8.380 nan 0.000 0.442 62 V N -3.545 116.056 119.914 -0.522 0.000 3.293 62 V HA 0.618 4.738 4.120 -0.000 0.000 0.381 62 V C 0.427 176.411 176.094 -0.184 0.000 1.465 62 V CA -0.282 61.812 62.300 -0.344 0.000 1.331 62 V CB 0.517 32.002 31.823 -0.562 0.000 1.160 62 V HN 0.115 nan 8.190 nan 0.000 0.565 63 G N -0.020 108.590 108.800 -0.317 0.000 3.366 63 G HA2 0.239 4.199 3.960 -0.000 0.000 0.179 63 G HA3 0.239 4.199 3.960 -0.000 0.000 0.179 63 G C 0.957 175.709 174.900 -0.247 0.000 1.143 63 G CA 0.643 45.644 45.100 -0.165 0.000 0.810 63 G HN 0.257 nan 8.290 nan 0.000 0.697 64 C N 0.948 120.184 119.300 -0.107 0.000 2.385 64 C HA -0.073 4.387 4.460 -0.000 0.000 0.275 64 C C 2.733 177.590 174.990 -0.222 0.000 1.207 64 C CA 0.480 59.436 59.018 -0.104 0.000 1.760 64 C CB -1.293 26.424 27.740 -0.039 0.000 2.051 64 C HN 0.397 nan 8.230 nan 0.000 0.467 65 I N 2.218 122.650 120.570 -0.231 0.000 2.110 65 I HA -0.072 4.098 4.170 -0.000 0.000 0.236 65 I C 0.120 176.039 176.117 -0.331 0.000 1.068 65 I CA 1.620 62.790 61.300 -0.215 0.000 1.333 65 I CB -2.718 35.216 38.000 -0.111 0.000 1.054 65 I HN 0.216 nan 8.210 nan 0.000 0.402 66 P HA -0.161 nan 4.420 nan 0.000 0.223 66 P C 1.595 178.437 177.300 -0.765 0.000 1.151 66 P CA 1.351 64.062 63.100 -0.648 0.000 0.787 66 P CB -0.043 31.112 31.700 -0.909 0.000 0.788 67 K N 1.303 121.230 120.400 -0.787 0.000 2.001 67 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 67 K C 2.142 178.581 176.600 -0.267 0.000 1.048 67 K CA 1.604 57.682 56.287 -0.347 0.000 0.932 67 K CB -0.468 32.002 32.500 -0.049 0.000 0.715 67 K HN -0.135 nan 8.250 nan 0.000 0.437 68 K N 1.197 121.410 120.400 -0.312 0.000 2.097 68 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 68 K C 2.215 178.670 176.600 -0.242 0.000 1.049 68 K CA 1.108 57.197 56.287 -0.330 0.000 0.933 68 K CB -0.316 31.918 32.500 -0.443 0.000 0.717 68 K HN 0.178 nan 8.250 nan 0.000 0.442 69 L N -0.196 120.860 121.223 -0.280 0.000 2.083 69 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 69 L C 2.456 179.161 176.870 -0.276 0.000 1.083 69 L CA 1.352 56.038 54.840 -0.257 0.000 0.752 69 L CB -0.329 41.580 42.059 -0.249 0.000 0.899 69 L HN 0.278 nan 8.230 nan 0.000 0.433 70 M N -1.797 117.564 119.600 -0.399 0.000 2.288 70 M HA -0.147 4.333 4.480 -0.000 0.000 0.266 70 M C 2.299 178.363 176.300 -0.393 0.000 1.072 70 M CA 1.004 55.960 55.300 -0.574 0.000 1.132 70 M CB -0.538 31.376 32.600 -1.143 0.000 1.386 70 M HN 0.218 nan 8.290 nan 0.000 0.432 71 H N 0.934 119.795 119.070 -0.350 0.000 2.319 71 H HA -0.243 4.313 4.556 -0.000 0.000 0.297 71 H C 2.010 177.311 175.328 -0.044 0.000 1.097 71 H CA 2.358 58.380 56.048 -0.044 0.000 1.285 71 H CB -0.180 29.583 29.762 0.003 0.000 1.368 71 H HN 0.248 nan 8.280 nan 0.000 0.495 72 Q N 0.219 119.909 119.800 -0.184 0.000 2.135 72 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 72 Q C 2.336 178.235 176.000 -0.170 0.000 0.981 72 Q CA 1.787 57.460 55.803 -0.216 0.000 0.856 72 Q CB -0.685 27.950 28.738 -0.171 0.000 0.902 72 Q HN 0.570 nan 8.270 nan 0.000 0.425 73 A N -0.124 122.608 122.820 -0.147 0.000 1.930 73 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 73 A C 2.221 179.747 177.584 -0.097 0.000 1.175 73 A CA 1.650 53.623 52.037 -0.107 0.000 0.627 73 A CB -0.940 17.996 19.000 -0.107 0.000 0.815 73 A HN 0.493 nan 8.150 nan 0.000 0.443 74 A N -0.107 122.671 122.820 -0.069 0.000 1.872 74 A HA 0.048 4.368 4.320 -0.000 0.000 0.214 74 A C 2.122 179.672 177.584 -0.056 0.000 1.187 74 A CA 1.250 53.278 52.037 -0.016 0.000 0.614 74 A CB -0.633 18.442 19.000 0.126 0.000 0.826 74 A HN 0.440 nan 8.150 nan 0.000 0.442 75 L N -0.402 120.734 121.223 -0.144 0.000 2.021 75 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 75 L C 2.558 179.381 176.870 -0.079 0.000 1.074 75 L CA 1.461 56.222 54.840 -0.132 0.000 0.760 75 L CB -0.721 41.213 42.059 -0.207 0.000 0.889 75 L HN 0.386 nan 8.230 nan 0.000 0.433 76 L N -0.535 120.638 121.223 -0.084 0.000 2.127 76 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 76 L C 2.664 179.510 176.870 -0.039 0.000 1.089 76 L CA 1.224 56.026 54.840 -0.062 0.000 0.757 76 L CB -1.128 40.893 42.059 -0.064 0.000 0.899 76 L HN 0.344 nan 8.230 nan 0.000 0.434 77 G N -0.743 108.038 108.800 -0.031 0.000 2.422 77 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 77 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 77 G C 1.541 176.436 174.900 -0.007 0.000 1.146 77 G CA 0.674 45.768 45.100 -0.010 0.000 0.769 77 G HN 0.281 nan 8.290 nan 0.000 0.547 78 Q N 0.747 120.535 119.800 -0.020 0.000 2.079 78 Q HA 0.188 4.528 4.340 -0.000 0.000 0.200 78 Q C 2.650 178.645 176.000 -0.008 0.000 0.974 78 Q CA 1.785 57.574 55.803 -0.024 0.000 0.840 78 Q CB -0.629 28.079 28.738 -0.050 0.000 0.898 78 Q HN 0.349 nan 8.270 nan 0.000 0.430 79 A N 0.229 123.041 122.820 -0.014 0.000 1.933 79 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 79 A C 2.085 179.667 177.584 -0.004 0.000 1.175 79 A CA 1.277 53.308 52.037 -0.010 0.000 0.628 79 A CB -0.746 18.229 19.000 -0.042 0.000 0.814 79 A HN 0.452 nan 8.150 nan 0.000 0.444 80 L N -0.800 120.416 121.223 -0.013 0.000 2.012 80 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 80 L C 2.616 179.511 176.870 0.042 0.000 1.073 80 L CA 2.085 56.925 54.840 0.001 0.000 0.748 80 L CB -0.592 41.469 42.059 0.002 0.000 0.891 80 L HN 0.380 nan 8.230 nan 0.000 0.431 81 K N -0.073 120.353 120.400 0.043 0.000 2.026 81 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 81 K C 1.751 178.409 176.600 0.098 0.000 1.048 81 K CA 1.639 57.962 56.287 0.060 0.000 0.929 81 K CB -0.216 32.307 32.500 0.039 0.000 0.713 81 K HN 0.222 nan 8.250 nan 0.000 0.439 82 D N 0.357 120.823 120.400 0.110 0.000 2.158 82 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 82 D C 1.989 178.485 176.300 0.327 0.000 0.995 82 D CA 1.672 55.796 54.000 0.207 0.000 0.846 82 D CB -0.398 40.537 40.800 0.225 0.000 0.941 82 D HN 0.229 nan 8.370 nan 0.000 0.456 83 S N 0.614 116.470 115.700 0.260 0.000 2.419 83 S HA -0.245 4.225 4.470 -0.000 0.000 0.233 83 S C 1.950 176.802 174.600 0.420 0.000 1.016 83 S CA 1.186 59.617 58.200 0.385 0.000 0.974 83 S CB -0.267 63.050 63.200 0.195 0.000 0.786 83 S HN 0.289 nan 8.310 nan 0.000 0.492 84 R N 1.718 122.375 120.500 0.262 0.000 2.096 84 R HA -0.119 4.221 4.340 -0.000 0.000 0.240 84 R C 1.811 178.197 176.300 0.144 0.000 1.139 84 R CA 1.990 58.203 56.100 0.188 0.000 0.952 84 R CB -0.581 29.793 30.300 0.122 0.000 0.854 84 R HN 0.386 nan 8.270 nan 0.000 0.436 85 N N -0.471 118.300 118.700 0.118 0.000 2.459 85 N HA -0.111 4.629 4.740 -0.000 0.000 0.181 85 N C 0.484 175.936 175.510 -0.096 0.000 1.046 85 N CA 0.892 53.932 53.050 -0.016 0.000 0.904 85 N CB 0.028 38.463 38.487 -0.087 0.000 0.964 85 N HN 0.390 nan 8.380 nan 0.000 0.444 86 Y N -0.741 119.610 120.300 0.085 0.000 2.461 86 Y HA 0.270 4.820 4.550 0.000 0.000 0.277 86 Y C 1.619 177.467 175.900 -0.086 0.000 1.182 86 Y CA 0.217 58.347 58.100 0.050 0.000 1.276 86 Y CB 0.376 38.928 38.460 0.153 0.000 1.087 86 Y HN 0.079 nan 8.280 nan 0.000 0.519 87 G N -1.642 107.178 108.800 0.033 0.000 2.184 87 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.206 87 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.206 87 G C -0.368 174.403 174.900 -0.214 0.000 0.995 87 G CA -0.725 44.293 45.100 -0.136 0.000 0.651 87 G HN 0.264 nan 8.290 nan 0.000 0.511 88 W N 1.830 123.179 121.300 0.080 0.000 2.345 88 W HA 0.590 5.250 4.660 -0.000 0.000 0.308 88 W C 0.928 177.474 176.519 0.044 0.000 1.273 88 W CA -0.610 56.769 57.345 0.056 0.000 1.243 88 W CB 0.685 30.178 29.460 0.055 0.000 1.260 88 W HN -0.036 nan 8.180 nan 0.000 0.509 89 K N 3.893 124.430 120.400 0.229 0.000 2.449 89 K HA 0.098 4.418 4.320 -0.000 0.000 0.237 89 K C -0.399 176.287 176.600 0.144 0.000 1.265 89 K CA -0.376 55.995 56.287 0.140 0.000 1.193 89 K CB -0.215 32.339 32.500 0.091 0.000 1.515 89 K HN 0.188 nan 8.250 nan 0.000 0.259 90 L N 2.280 123.593 121.223 0.151 0.000 2.292 90 L HA 0.141 4.481 4.340 -0.000 0.000 0.284 90 L C 0.428 177.346 176.870 0.080 0.000 1.065 90 L CA -0.470 54.438 54.840 0.113 0.000 0.806 90 L CB 0.929 43.056 42.059 0.114 0.000 1.175 90 L HN 0.433 nan 8.230 nan 0.000 0.431 91 E N 2.417 122.655 120.200 0.062 0.000 2.569 91 E HA -0.053 4.297 4.350 -0.000 0.000 0.258 91 E C 0.359 176.987 176.600 0.047 0.000 1.390 91 E CA 0.368 56.798 56.400 0.049 0.000 1.049 91 E CB 0.226 29.950 29.700 0.041 0.000 1.009 91 E HN 0.662 nan 8.360 nan 0.000 0.580 92 D N -1.095 119.328 120.400 0.040 0.000 2.183 92 D HA -0.002 4.638 4.640 -0.000 0.000 0.203 92 D C -0.356 175.967 176.300 0.038 0.000 0.969 92 D CA 1.261 55.284 54.000 0.038 0.000 0.842 92 D CB 0.128 40.946 40.800 0.031 0.000 0.957 92 D HN 0.524 nan 8.370 nan 0.000 0.484 93 T N -0.221 114.356 114.554 0.037 0.000 3.071 93 T HA 0.421 4.771 4.350 -0.000 0.000 0.311 93 T C -0.502 174.223 174.700 0.042 0.000 1.042 93 T CA -0.773 61.350 62.100 0.040 0.000 1.028 93 T CB 2.628 71.519 68.868 0.038 0.000 1.068 93 T HN -0.293 nan 8.240 nan 0.000 0.451 94 V N 3.265 123.207 119.914 0.047 0.000 2.370 94 V HA 0.427 4.547 4.120 -0.000 0.000 0.283 94 V C 0.257 176.392 176.094 0.069 0.000 1.023 94 V CA -0.930 61.400 62.300 0.050 0.000 0.857 94 V CB 1.321 33.171 31.823 0.045 0.000 0.985 94 V HN 0.728 nan 8.190 nan 0.000 0.443 95 K N 3.175 123.616 120.400 0.068 0.000 2.154 95 K HA 0.344 4.664 4.320 -0.000 0.000 0.264 95 K C -0.080 176.598 176.600 0.129 0.000 1.008 95 K CA -0.444 55.899 56.287 0.093 0.000 0.937 95 K CB 0.614 33.156 32.500 0.070 0.000 1.002 95 K HN 0.759 nan 8.250 nan 0.000 0.469 96 H N 1.167 120.276 119.070 0.065 0.000 2.502 96 H HA 0.162 4.718 4.556 -0.000 0.000 0.338 96 H C -1.264 174.125 175.328 0.103 0.000 1.155 96 H CA -0.493 55.602 56.048 0.078 0.000 1.237 96 H CB 1.758 31.581 29.762 0.102 0.000 1.534 96 H HN 0.551 nan 8.280 nan 0.000 0.523 97 D N 4.657 124.665 120.400 -0.655 0.000 2.446 97 D HA -0.021 4.619 4.640 -0.000 0.000 0.251 97 D C 0.999 177.100 176.300 -0.331 0.000 1.137 97 D CA -0.593 53.226 54.000 -0.301 0.000 0.890 97 D CB -0.002 40.688 40.800 -0.183 0.000 1.071 97 D HN 0.621 nan 8.370 nan 0.000 0.528 98 W N 4.323 125.543 121.300 -0.133 0.000 2.304 98 W HA -0.226 4.434 4.660 -0.000 0.000 0.315 98 W C 0.885 177.405 176.519 0.002 0.000 1.233 98 W CA 1.649 59.018 57.345 0.040 0.000 1.261 98 W CB 0.221 29.751 29.460 0.116 0.000 1.150 98 W HN 0.532 nan 8.180 nan 0.000 0.494 99 E N 0.040 120.339 120.200 0.165 0.000 2.106 99 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 99 E C 1.936 178.503 176.600 -0.055 0.000 0.984 99 E CA 1.457 57.910 56.400 0.088 0.000 0.806 99 E CB -0.365 29.425 29.700 0.149 0.000 0.750 99 E HN 0.056 nan 8.360 nan 0.000 0.458 100 K N 1.610 121.958 120.400 -0.086 0.000 2.097 100 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 100 K C 2.032 178.544 176.600 -0.146 0.000 1.050 100 K CA 1.124 57.350 56.287 -0.102 0.000 0.938 100 K CB -0.211 32.225 32.500 -0.107 0.000 0.718 100 K HN 0.078 nan 8.250 nan 0.000 0.442 101 M N 0.583 120.052 119.600 -0.218 0.000 2.086 101 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 101 M C 1.725 177.867 176.300 -0.264 0.000 1.067 101 M CA 2.468 57.637 55.300 -0.217 0.000 1.116 101 M CB -0.463 32.027 32.600 -0.184 0.000 1.348 101 M HN 0.398 nan 8.290 nan 0.000 0.407 102 T N -2.417 111.907 114.554 -0.382 0.000 2.995 102 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 102 T C 1.589 176.206 174.700 -0.139 0.000 1.091 102 T CA 1.353 63.264 62.100 -0.315 0.000 1.128 102 T CB -0.462 68.175 68.868 -0.385 0.000 0.891 102 T HN 0.624 nan 8.240 nan 0.000 0.492 103 E N 1.159 121.294 120.200 -0.108 0.000 2.047 103 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 103 E C 2.253 178.828 176.600 -0.042 0.000 0.987 103 E CA 1.249 57.621 56.400 -0.047 0.000 0.799 103 E CB -0.219 29.463 29.700 -0.031 0.000 0.752 103 E HN 0.552 nan 8.360 nan 0.000 0.449 104 S N 0.071 115.732 115.700 -0.065 0.000 2.368 104 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 104 S C 2.035 176.614 174.600 -0.036 0.000 1.030 104 S CA 1.081 59.251 58.200 -0.050 0.000 0.999 104 S CB -0.121 63.036 63.200 -0.071 0.000 0.844 104 S HN 0.149 nan 8.310 nan 0.000 0.459 105 V N 1.996 121.867 119.914 -0.071 0.000 2.295 105 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 105 V C 2.638 178.725 176.094 -0.012 0.000 1.049 105 V CA 1.483 63.745 62.300 -0.063 0.000 1.024 105 V CB -0.579 31.171 31.823 -0.121 0.000 0.648 105 V HN 0.413 nan 8.190 nan 0.000 0.447 106 Q N -0.257 119.535 119.800 -0.014 0.000 2.119 106 Q HA -0.153 4.187 4.340 -0.000 0.000 0.201 106 Q C 2.208 178.227 176.000 0.032 0.000 0.972 106 Q CA 1.146 56.958 55.803 0.015 0.000 0.847 106 Q CB -0.731 28.025 28.738 0.029 0.000 0.903 106 Q HN 0.642 nan 8.270 nan 0.000 0.433 107 N N 0.195 118.914 118.700 0.032 0.000 2.094 107 N HA -0.215 4.525 4.740 -0.000 0.000 0.191 107 N C 1.764 177.307 175.510 0.055 0.000 1.023 107 N CA 1.450 54.526 53.050 0.043 0.000 0.857 107 N CB -0.123 38.384 38.487 0.033 0.000 1.013 107 N HN 0.362 nan 8.380 nan 0.000 0.426 108 H N 0.981 120.033 119.070 -0.029 0.000 2.307 108 H HA 0.103 4.659 4.556 -0.000 0.000 0.303 108 H C 2.252 177.566 175.328 -0.022 0.000 1.073 108 H CA 1.295 57.322 56.048 -0.036 0.000 1.338 108 H CB -0.351 29.371 29.762 -0.066 0.000 1.389 108 H HN 0.106 nan 8.280 nan 0.000 0.503 109 I N 0.126 120.647 120.570 -0.082 0.000 2.145 109 I HA -0.307 3.863 4.170 -0.000 0.000 0.244 109 I C 2.699 178.771 176.117 -0.076 0.000 1.075 109 I CA 1.603 62.839 61.300 -0.106 0.000 1.332 109 I CB -0.684 37.287 38.000 -0.049 0.000 1.033 109 I HN 0.511 nan 8.210 nan 0.000 0.410 110 G N -0.094 108.704 108.800 -0.004 0.000 2.442 110 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 110 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 110 G C 1.759 176.731 174.900 0.120 0.000 1.141 110 G CA 1.115 46.266 45.100 0.084 0.000 0.763 110 G HN 0.523 nan 8.290 nan 0.000 0.554 111 S N -0.032 115.672 115.700 0.006 0.000 2.461 111 S HA 0.140 4.610 4.470 -0.000 0.000 0.228 111 S C 2.305 176.852 174.600 -0.087 0.000 1.005 111 S CA 0.481 58.684 58.200 0.005 0.000 0.942 111 S CB -0.195 62.971 63.200 -0.056 0.000 0.776 111 S HN 0.296 nan 8.310 nan 0.000 0.514 112 L N 1.593 122.693 121.223 -0.205 0.000 2.027 112 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 112 L C 2.567 179.420 176.870 -0.028 0.000 1.074 112 L CA 1.612 56.336 54.840 -0.193 0.000 0.745 112 L CB -1.029 40.926 42.059 -0.172 0.000 0.898 112 L HN 0.412 nan 8.230 nan 0.000 0.433 113 N N -0.604 118.092 118.700 -0.008 0.000 2.021 113 N HA -0.266 4.474 4.740 -0.000 0.000 0.198 113 N C 1.657 177.068 175.510 -0.164 0.000 1.041 113 N CA 2.023 55.020 53.050 -0.087 0.000 0.862 113 N CB -0.283 38.074 38.487 -0.217 0.000 1.048 113 N HN 0.289 nan 8.380 nan 0.000 0.427 114 W N 0.778 122.063 121.300 -0.024 0.000 2.467 114 W HA 0.095 4.755 4.660 -0.000 0.000 0.275 114 W C 2.559 179.035 176.519 -0.072 0.000 1.239 114 W CA 0.619 57.943 57.345 -0.035 0.000 1.266 114 W CB -0.683 28.757 29.460 -0.032 0.000 1.112 114 W HN 0.130 nan 8.180 nan 0.000 0.576 115 G N -0.120 108.708 108.800 0.046 0.000 2.446 115 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 115 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 115 G C 1.114 175.916 174.900 -0.164 0.000 1.168 115 G CA 1.198 46.228 45.100 -0.118 0.000 0.771 115 G HN 0.227 nan 8.290 nan 0.000 0.551 116 Y N 0.198 120.449 120.300 -0.081 0.000 2.200 116 Y HA 0.023 4.573 4.550 -0.000 0.000 0.290 116 Y C 2.935 178.738 175.900 -0.162 0.000 1.137 116 Y CA 1.301 59.322 58.100 -0.132 0.000 1.163 116 Y CB -0.351 37.998 38.460 -0.186 0.000 0.988 116 Y HN 0.097 nan 8.280 nan 0.000 0.518 117 R N -0.278 120.209 120.500 -0.021 0.000 2.096 117 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 117 R C 2.042 178.369 176.300 0.045 0.000 1.127 117 R CA 1.356 57.403 56.100 -0.087 0.000 0.968 117 R CB -0.450 29.770 30.300 -0.134 0.000 0.861 117 R HN 0.170 nan 8.270 nan 0.000 0.440 118 V N 0.470 120.436 119.914 0.087 0.000 2.323 118 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 118 V C 2.336 178.450 176.094 0.034 0.000 1.041 118 V CA 1.711 64.058 62.300 0.078 0.000 1.025 118 V CB -0.562 31.306 31.823 0.074 0.000 0.656 118 V HN 0.532 nan 8.190 nan 0.000 0.451 119 A N 0.119 122.944 122.820 0.008 0.000 1.884 119 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 119 A C 2.213 179.807 177.584 0.017 0.000 1.197 119 A CA 2.246 54.284 52.037 0.001 0.000 0.637 119 A CB -0.707 18.291 19.000 -0.004 0.000 0.827 119 A HN 0.500 nan 8.150 nan 0.000 0.450 120 L N -1.403 119.832 121.223 0.021 0.000 2.012 120 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 120 L C 2.862 179.752 176.870 0.033 0.000 1.073 120 L CA 1.953 56.803 54.840 0.015 0.000 0.748 120 L CB -0.570 41.482 42.059 -0.012 0.000 0.891 120 L HN 0.485 nan 8.230 nan 0.000 0.431 121 R N 0.106 120.635 120.500 0.049 0.000 2.083 121 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 121 R C 2.250 178.573 176.300 0.038 0.000 1.137 121 R CA 1.493 57.628 56.100 0.059 0.000 0.951 121 R CB -0.031 30.315 30.300 0.076 0.000 0.851 121 R HN 0.290 nan 8.270 nan 0.000 0.434 122 E N 0.610 120.826 120.200 0.027 0.000 2.110 122 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 122 E C 1.596 178.200 176.600 0.006 0.000 0.988 122 E CA 0.994 57.401 56.400 0.013 0.000 0.804 122 E CB 0.006 29.708 29.700 0.003 0.000 0.745 122 E HN 0.221 nan 8.360 nan 0.000 0.458 123 K N 0.693 121.096 120.400 0.005 0.000 2.487 123 K HA 0.024 4.344 4.320 -0.000 0.000 0.192 123 K C 0.145 176.746 176.600 0.003 0.000 1.027 123 K CA 0.011 56.295 56.287 -0.004 0.000 1.054 123 K CB 0.134 32.630 32.500 -0.006 0.000 0.824 123 K HN 0.098 nan 8.250 nan 0.000 0.510 124 K N 0.205 120.616 120.400 0.017 0.000 3.125 124 K HA -0.126 4.194 4.320 -0.000 0.000 0.268 124 K C -0.747 175.873 176.600 0.033 0.000 1.078 124 K CA 0.174 56.479 56.287 0.029 0.000 0.775 124 K CB -1.754 30.760 32.500 0.024 0.000 1.253 124 K HN -0.095 nan 8.250 nan 0.000 0.486 125 V N 1.369 121.299 119.914 0.027 0.000 2.394 125 V HA 0.193 4.313 4.120 -0.000 0.000 0.282 125 V C 0.763 176.873 176.094 0.026 0.000 1.031 125 V CA -0.898 61.408 62.300 0.010 0.000 0.881 125 V CB 1.759 33.576 31.823 -0.009 0.000 0.982 125 V HN 0.070 nan 8.190 nan 0.000 0.451 126 V N 5.961 125.873 119.914 -0.004 0.000 2.529 126 V HA 0.067 4.187 4.120 -0.000 0.000 0.292 126 V C -0.375 175.713 176.094 -0.010 0.000 1.028 126 V CA 0.048 62.348 62.300 0.000 0.000 1.074 126 V CB 0.298 32.113 31.823 -0.013 0.000 0.958 126 V HN 0.748 nan 8.190 nan 0.000 0.481 127 Y N 4.992 125.247 120.300 -0.076 0.000 2.335 127 Y HA 0.684 5.234 4.550 -0.000 0.000 0.338 127 Y C -0.326 175.537 175.900 -0.062 0.000 0.977 127 Y CA -1.494 56.556 58.100 -0.084 0.000 1.114 127 Y CB 1.664 40.093 38.460 -0.052 0.000 1.182 127 Y HN 0.665 nan 8.280 nan 0.000 0.463 128 E N 4.626 124.467 120.200 -0.599 0.000 2.216 128 E HA 0.215 4.565 4.350 -0.000 0.000 0.260 128 E C -1.177 175.033 176.600 -0.650 0.000 0.880 128 E CA -0.363 55.706 56.400 -0.551 0.000 0.765 128 E CB 0.639 30.178 29.700 -0.268 0.000 1.174 128 E HN 0.734 nan 8.360 nan 0.000 0.417 129 N N 3.311 121.600 118.700 -0.685 0.000 2.739 129 N HA 0.384 5.124 4.740 -0.000 0.000 0.266 129 N C -1.292 174.260 175.510 0.070 0.000 1.168 129 N CA 0.125 52.996 53.050 -0.298 0.000 1.055 129 N CB 0.043 38.403 38.487 -0.211 0.000 1.393 129 N HN 0.406 nan 8.380 nan 0.000 0.514 130 A N 2.853 125.767 122.820 0.156 0.000 2.604 130 A HA 0.219 4.539 4.320 -0.000 0.000 0.295 130 A C -1.914 175.738 177.584 0.112 0.000 1.067 130 A CA -0.646 51.489 52.037 0.164 0.000 0.683 130 A CB 0.724 19.753 19.000 0.048 0.000 1.281 130 A HN 0.590 nan 8.150 nan 0.000 0.407 131 Y N 1.418 121.574 120.300 -0.239 0.000 2.393 131 Y HA 0.468 5.018 4.550 -0.000 0.000 0.338 131 Y C 0.910 176.731 175.900 -0.132 0.000 1.029 131 Y CA 0.778 58.742 58.100 -0.228 0.000 1.239 131 Y CB 0.898 39.060 38.460 -0.496 0.000 1.170 131 Y HN 0.858 nan 8.280 nan 0.000 0.515 132 G N 5.807 114.319 108.800 -0.481 0.000 2.395 132 G HA2 0.404 4.364 3.960 -0.000 0.000 0.283 132 G HA3 0.404 4.364 3.960 -0.000 0.000 0.283 132 G C -1.418 173.263 174.900 -0.364 0.000 1.178 132 G CA -0.702 44.191 45.100 -0.343 0.000 0.837 132 G HN 0.631 nan 8.290 nan 0.000 0.518 133 K N 2.092 122.362 120.400 -0.216 0.000 2.588 133 K HA 0.294 4.614 4.320 -0.000 0.000 0.250 133 K C -1.118 175.397 176.600 -0.141 0.000 0.972 133 K CA -0.764 55.448 56.287 -0.126 0.000 0.821 133 K CB 1.209 33.744 32.500 0.059 0.000 1.249 133 K HN 0.289 nan 8.250 nan 0.000 0.442 134 F N 4.655 124.561 119.950 -0.073 0.000 2.572 134 F HA 0.047 4.574 4.527 -0.000 0.000 0.370 134 F C 1.647 177.421 175.800 -0.044 0.000 1.103 134 F CA 0.219 58.154 58.000 -0.108 0.000 1.286 134 F CB 0.429 39.323 39.000 -0.177 0.000 1.105 134 F HN 0.495 nan 8.300 nan 0.000 0.583 135 I N -0.443 120.239 120.570 0.186 0.000 4.187 135 I HA 0.628 4.798 4.170 -0.000 0.000 0.326 135 I C 0.750 176.929 176.117 0.104 0.000 1.302 135 I CA 0.185 61.557 61.300 0.119 0.000 1.196 135 I CB 0.284 38.339 38.000 0.092 0.000 1.095 135 I HN 0.546 nan 8.210 nan 0.000 0.411 136 G N 1.477 110.350 108.800 0.122 0.000 2.322 136 G HA2 0.301 4.261 3.960 -0.000 0.000 0.295 136 G HA3 0.301 4.261 3.960 -0.000 0.000 0.295 136 G C -3.244 171.722 174.900 0.111 0.000 1.369 136 G CA -0.808 44.346 45.100 0.090 0.000 0.821 136 G HN -0.177 nan 8.290 nan 0.000 0.536 137 P HA 0.035 nan 4.420 nan 0.000 0.258 137 P C 0.119 177.582 177.300 0.270 0.000 1.172 137 P CA 1.044 64.245 63.100 0.169 0.000 0.762 137 P CB -0.107 31.708 31.700 0.191 0.000 0.764 138 H N -0.687 118.520 119.070 0.228 0.000 3.415 138 H HA -0.144 4.412 4.556 -0.000 0.000 0.213 138 H C -0.065 175.549 175.328 0.477 0.000 1.091 138 H CA 1.195 57.434 56.048 0.318 0.000 1.182 138 H CB -1.178 28.642 29.762 0.097 0.000 1.160 138 H HN 0.557 nan 8.280 nan 0.000 0.319 139 K N 0.466 121.116 120.400 0.416 0.000 2.324 139 K HA 0.711 5.031 4.320 -0.000 0.000 0.253 139 K C -0.336 176.440 176.600 0.294 0.000 0.932 139 K CA -0.531 55.983 56.287 0.379 0.000 0.799 139 K CB 2.874 35.531 32.500 0.263 0.000 1.154 139 K HN 0.042 nan 8.250 nan 0.000 0.425 140 I N 2.525 123.271 120.570 0.294 0.000 2.769 140 I HA 0.401 4.571 4.170 -0.000 0.000 0.298 140 I C -1.407 174.802 176.117 0.153 0.000 1.128 140 I CA -1.093 60.277 61.300 0.118 0.000 1.031 140 I CB 2.152 40.165 38.000 0.023 0.000 1.235 140 I HN 0.653 nan 8.210 nan 0.000 0.423 141 M N 6.645 126.285 119.600 0.067 0.000 2.294 141 M HA 0.655 5.135 4.480 -0.000 0.000 0.335 141 M C -1.260 175.087 176.300 0.078 0.000 1.079 141 M CA -0.490 54.857 55.300 0.078 0.000 0.982 141 M CB 1.528 34.156 32.600 0.046 0.000 1.651 141 M HN 0.665 nan 8.290 nan 0.000 0.437 142 A N 3.889 126.790 122.820 0.135 0.000 2.273 142 A HA 0.573 4.893 4.320 -0.000 0.000 0.320 142 A C -0.518 177.102 177.584 0.061 0.000 1.358 142 A CA -0.508 51.600 52.037 0.118 0.000 0.910 142 A CB 0.199 19.349 19.000 0.250 0.000 1.159 142 A HN 0.785 nan 8.150 nan 0.000 0.526 143 T N 3.819 118.380 114.554 0.012 0.000 2.728 143 T HA 0.300 4.650 4.350 -0.000 0.000 0.296 143 T C 0.673 175.308 174.700 -0.109 0.000 0.940 143 T CA -0.580 61.491 62.100 -0.048 0.000 1.013 143 T CB 0.282 69.096 68.868 -0.089 0.000 0.912 143 T HN 0.872 nan 8.240 nan 0.000 0.484 144 N N 2.975 121.646 118.700 -0.048 0.000 2.366 144 N HA 0.082 4.822 4.740 -0.000 0.000 0.277 144 N C 1.142 176.658 175.510 0.010 0.000 1.275 144 N CA -0.716 52.336 53.050 0.003 0.000 0.964 144 N CB 0.170 38.686 38.487 0.049 0.000 1.167 144 N HN 0.521 nan 8.380 nan 0.000 0.568 145 N N -0.212 118.606 118.700 0.196 0.000 2.137 145 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 145 N C 0.512 176.085 175.510 0.104 0.000 1.017 145 N CA 1.215 54.424 53.050 0.264 0.000 0.859 145 N CB 0.002 38.630 38.487 0.235 0.000 1.002 145 N HN 0.528 nan 8.380 nan 0.000 0.428 146 K N -0.699 119.736 120.400 0.058 0.000 2.417 146 K HA 0.117 4.437 4.320 -0.000 0.000 0.196 146 K C 0.774 177.375 176.600 0.002 0.000 1.023 146 K CA 0.421 56.725 56.287 0.029 0.000 1.122 146 K CB 0.383 32.900 32.500 0.028 0.000 0.850 146 K HN 0.390 nan 8.250 nan 0.000 0.521 147 G N 1.267 110.055 108.800 -0.019 0.000 2.176 147 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 147 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 147 G C -0.306 174.576 174.900 -0.030 0.000 0.986 147 G CA -0.377 44.699 45.100 -0.040 0.000 0.643 147 G HN 0.077 nan 8.290 nan 0.000 0.522 148 K N 1.629 122.020 120.400 -0.015 0.000 2.322 148 K HA 0.401 4.721 4.320 -0.000 0.000 0.283 148 K C 0.407 177.002 176.600 -0.009 0.000 1.042 148 K CA 0.077 56.359 56.287 -0.008 0.000 0.958 148 K CB 1.127 33.629 32.500 0.004 0.000 0.984 148 K HN 0.621 nan 8.250 nan 0.000 0.473 149 E N 1.883 122.075 120.200 -0.013 0.000 2.222 149 E HA 0.401 4.751 4.350 -0.000 0.000 0.272 149 E C -0.575 176.008 176.600 -0.028 0.000 0.982 149 E CA -0.772 55.621 56.400 -0.012 0.000 0.842 149 E CB 1.938 31.629 29.700 -0.014 0.000 1.144 149 E HN 0.281 nan 8.360 nan 0.000 0.397 150 K N 0.957 121.332 120.400 -0.040 0.000 2.542 150 K HA 0.385 4.705 4.320 -0.000 0.000 0.259 150 K C -1.796 174.678 176.600 -0.211 0.000 0.932 150 K CA -0.592 55.602 56.287 -0.155 0.000 0.820 150 K CB 1.955 34.342 32.500 -0.190 0.000 1.345 150 K HN 0.284 nan 8.250 nan 0.000 0.432 151 V N 4.076 123.819 119.914 -0.285 0.000 2.483 151 V HA 0.511 4.631 4.120 -0.000 0.000 0.295 151 V C -1.153 174.779 176.094 -0.270 0.000 1.035 151 V CA -0.482 61.729 62.300 -0.148 0.000 0.896 151 V CB 1.047 32.851 31.823 -0.032 0.000 0.986 151 V HN 0.650 nan 8.190 nan 0.000 0.447 152 Y N 1.493 121.898 120.300 0.176 0.000 2.545 152 Y HA 0.639 5.189 4.550 -0.000 0.000 0.348 152 Y C 0.362 176.449 175.900 0.312 0.000 1.002 152 Y CA -0.726 57.517 58.100 0.240 0.000 1.039 152 Y CB 2.420 41.062 38.460 0.304 0.000 1.271 152 Y HN 0.655 nan 8.280 nan 0.000 0.467 153 S N 1.143 117.132 115.700 0.480 0.000 2.568 153 S HA 0.986 5.456 4.470 -0.000 0.000 0.302 153 S C -0.890 173.914 174.600 0.339 0.000 1.082 153 S CA -0.585 57.897 58.200 0.470 0.000 1.009 153 S CB 2.043 65.513 63.200 0.449 0.000 1.069 153 S HN 1.018 nan 8.310 nan 0.000 0.500 154 A N 0.744 123.641 122.820 0.127 0.000 2.572 154 A HA 0.656 4.976 4.320 -0.000 0.000 0.295 154 A C 0.418 177.594 177.584 -0.679 0.000 1.072 154 A CA -0.594 51.270 52.037 -0.287 0.000 0.691 154 A CB 1.235 19.810 19.000 -0.708 0.000 1.291 154 A HN 0.960 nan 8.150 nan 0.000 0.404 155 E N 0.198 119.997 120.200 -0.667 0.000 2.072 155 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 155 E C 0.338 176.928 176.600 -0.017 0.000 0.985 155 E CA 0.908 56.966 56.400 -0.571 0.000 0.801 155 E CB 0.136 29.793 29.700 -0.072 0.000 0.750 155 E HN 0.560 nan 8.360 nan 0.000 0.452 156 R N -0.892 119.619 120.500 0.018 0.000 2.795 156 R HA 0.433 4.773 4.340 -0.000 0.000 0.275 156 R C -1.368 174.946 176.300 0.022 0.000 0.981 156 R CA -0.661 55.581 56.100 0.237 0.000 0.917 156 R CB 1.450 31.909 30.300 0.265 0.000 1.202 156 R HN -0.093 nan 8.270 nan 0.000 0.469 157 F N 1.081 121.219 119.950 0.312 0.000 2.563 157 F HA 0.459 4.986 4.527 -0.000 0.000 0.316 157 F C -0.627 175.317 175.800 0.239 0.000 1.076 157 F CA -1.004 57.154 58.000 0.262 0.000 0.921 157 F CB 1.786 41.014 39.000 0.381 0.000 1.209 157 F HN 0.159 nan 8.300 nan 0.000 0.462 158 L N 4.492 125.918 121.223 0.338 0.000 2.343 158 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 158 L C -1.009 175.982 176.870 0.202 0.000 0.996 158 L CA -0.417 54.572 54.840 0.249 0.000 0.831 158 L CB 0.850 42.994 42.059 0.143 0.000 1.232 158 L HN 0.455 nan 8.230 nan 0.000 0.413 159 I N 5.628 126.314 120.570 0.193 0.000 2.337 159 I HA 0.483 4.653 4.170 -0.000 0.000 0.291 159 I C 0.540 176.711 176.117 0.090 0.000 1.046 159 I CA 0.071 61.450 61.300 0.132 0.000 1.324 159 I CB 1.185 39.263 38.000 0.130 0.000 1.409 159 I HN 0.833 nan 8.210 nan 0.000 0.494 160 A N 3.746 126.601 122.820 0.059 0.000 3.234 160 A HA 0.279 4.599 4.320 -0.000 0.000 0.247 160 A C 0.730 178.334 177.584 0.034 0.000 0.938 160 A CA -0.356 51.710 52.037 0.048 0.000 1.039 160 A CB -0.260 18.763 19.000 0.038 0.000 1.197 160 A HN 0.735 nan 8.150 nan 0.000 0.498 161 T N -2.968 111.608 114.554 0.037 0.000 3.086 161 T HA 0.459 4.809 4.350 -0.000 0.000 0.250 161 T C 1.277 176.017 174.700 0.066 0.000 1.074 161 T CA 0.910 63.030 62.100 0.033 0.000 0.988 161 T CB -0.185 68.689 68.868 0.011 0.000 0.988 161 T HN 1.998 nan 8.240 nan 0.000 0.530 162 G N 1.545 110.387 108.800 0.071 0.000 2.622 162 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.272 162 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.272 162 G C -0.665 174.295 174.900 0.101 0.000 1.308 162 G CA 0.007 45.160 45.100 0.088 0.000 0.919 162 G HN 0.680 nan 8.290 nan 0.000 0.565 163 E N -0.406 119.863 120.200 0.115 0.000 2.355 163 E HA 0.772 5.122 4.350 -0.000 0.000 0.261 163 E C -0.193 176.492 176.600 0.143 0.000 0.943 163 E CA -1.144 55.327 56.400 0.118 0.000 0.806 163 E CB 1.577 31.340 29.700 0.105 0.000 1.286 163 E HN 0.430 nan 8.360 nan 0.000 0.424 164 R N 0.455 121.039 120.500 0.140 0.000 2.771 164 R HA 0.449 4.789 4.340 -0.000 0.000 0.274 164 R C -2.743 173.633 176.300 0.127 0.000 0.987 164 R CA -2.634 53.564 56.100 0.163 0.000 0.908 164 R CB 0.887 31.300 30.300 0.188 0.000 1.213 164 R HN 0.317 nan 8.270 nan 0.000 0.468 165 P HA 0.077 nan 4.420 nan 0.000 0.265 165 P C -0.276 177.044 177.300 0.034 0.000 1.193 165 P CA 0.054 63.169 63.100 0.025 0.000 0.765 165 P CB 0.555 32.234 31.700 -0.036 0.000 0.823 166 R N 3.165 123.659 120.500 -0.010 0.000 2.441 166 R HA 0.295 4.635 4.340 -0.000 0.000 0.284 166 R C -0.522 175.738 176.300 -0.067 0.000 1.070 166 R CA -0.237 55.887 56.100 0.041 0.000 1.047 166 R CB 0.249 30.567 30.300 0.031 0.000 1.016 166 R HN 0.374 nan 8.270 nan 0.000 0.477 167 Y N 2.152 122.468 120.300 0.026 0.000 2.519 167 Y HA 0.299 4.849 4.550 -0.000 0.000 0.324 167 Y C 0.417 176.327 175.900 0.017 0.000 1.214 167 Y CA -0.569 57.542 58.100 0.019 0.000 1.260 167 Y CB 0.974 39.444 38.460 0.017 0.000 1.311 167 Y HN 0.380 nan 8.280 nan 0.000 0.505 168 L N 0.151 121.476 121.223 0.170 0.000 2.468 168 L HA 0.392 4.732 4.340 -0.000 0.000 0.254 168 L C 1.254 178.192 176.870 0.112 0.000 1.171 168 L CA -0.325 54.579 54.840 0.107 0.000 0.809 168 L CB 0.326 42.432 42.059 0.078 0.000 1.155 168 L HN 0.874 nan 8.230 nan 0.000 0.473 169 G N 1.448 110.293 108.800 0.075 0.000 3.414 169 G HA2 0.359 4.319 3.960 -0.000 0.000 0.258 169 G HA3 0.359 4.319 3.960 -0.000 0.000 0.258 169 G C -0.014 174.918 174.900 0.053 0.000 1.348 169 G CA -0.042 45.094 45.100 0.060 0.000 1.319 169 G HN 0.491 nan 8.290 nan 0.000 0.555 170 I N -3.720 116.890 120.570 0.066 0.000 2.689 170 I HA 0.614 4.784 4.170 -0.000 0.000 0.299 170 I C -2.828 173.326 176.117 0.061 0.000 1.059 170 I CA -3.414 57.923 61.300 0.061 0.000 1.055 170 I CB 2.518 40.558 38.000 0.067 0.000 1.243 170 I HN -0.262 nan 8.210 nan 0.000 0.425 171 P HA 0.153 nan 4.420 nan 0.000 0.260 171 P C 0.771 178.127 177.300 0.094 0.000 1.185 171 P CA 1.194 64.329 63.100 0.059 0.000 0.763 171 P CB 0.548 32.285 31.700 0.062 0.000 0.776 172 G N 3.704 112.550 108.800 0.076 0.000 2.213 172 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.236 172 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.236 172 G C 0.929 175.895 174.900 0.110 0.000 0.991 172 G CA 0.454 45.639 45.100 0.142 0.000 0.629 172 G HN 0.561 nan 8.290 nan 0.000 0.517 173 D N 0.944 121.407 120.400 0.104 0.000 2.144 173 D HA -0.030 4.610 4.640 -0.000 0.000 0.200 173 D C 1.949 178.355 176.300 0.177 0.000 0.978 173 D CA 1.563 55.670 54.000 0.178 0.000 0.833 173 D CB -0.419 40.522 40.800 0.235 0.000 0.961 173 D HN 0.460 nan 8.370 nan 0.000 0.470 174 K N 0.031 120.396 120.400 -0.058 0.000 2.167 174 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 174 K C 1.952 178.439 176.600 -0.188 0.000 1.052 174 K CA 1.123 57.241 56.287 -0.282 0.000 0.956 174 K CB 0.134 32.368 32.500 -0.443 0.000 0.735 174 K HN 0.371 nan 8.250 nan 0.000 0.451 175 E N -0.489 119.540 120.200 -0.286 0.000 2.318 175 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 175 E C 0.979 177.287 176.600 -0.486 0.000 0.998 175 E CA 0.993 57.097 56.400 -0.493 0.000 0.859 175 E CB -0.018 29.205 29.700 -0.795 0.000 0.812 175 E HN 0.367 nan 8.360 nan 0.000 0.492 176 Y N 0.463 120.802 120.300 0.065 0.000 2.526 176 Y HA 0.254 4.804 4.550 -0.000 0.000 0.265 176 Y C 1.320 177.271 175.900 0.084 0.000 1.092 176 Y CA -1.222 56.919 58.100 0.068 0.000 1.277 176 Y CB 0.085 38.576 38.460 0.052 0.000 1.228 176 Y HN -0.052 nan 8.280 nan 0.000 0.507 177 C N 2.379 121.817 119.300 0.230 0.000 2.443 177 C HA 0.624 5.084 4.460 -0.000 0.000 0.369 177 C C 0.627 175.715 174.990 0.163 0.000 1.241 177 C CA -1.092 58.028 59.018 0.169 0.000 2.413 177 C CB -0.138 27.688 27.740 0.143 0.000 2.451 177 C HN 0.340 nan 8.230 nan 0.000 0.595 178 I N 0.408 121.028 120.570 0.083 0.000 2.910 178 I HA 0.834 5.004 4.170 -0.000 0.000 0.310 178 I C 0.064 176.162 176.117 -0.031 0.000 1.043 178 I CA -0.140 61.197 61.300 0.061 0.000 1.053 178 I CB 1.855 39.873 38.000 0.030 0.000 1.242 178 I HN 0.686 nan 8.210 nan 0.000 0.452 179 S N 1.088 116.768 115.700 -0.034 0.000 2.751 179 S HA 0.383 4.853 4.470 -0.000 0.000 0.310 179 S C 0.991 175.534 174.600 -0.094 0.000 1.128 179 S CA -0.013 58.122 58.200 -0.107 0.000 0.931 179 S CB 1.194 64.314 63.200 -0.133 0.000 1.177 179 S HN 0.950 nan 8.310 nan 0.000 0.530 180 S N 0.417 116.054 115.700 -0.105 0.000 2.392 180 S HA -0.235 4.235 4.470 -0.000 0.000 0.232 180 S C 1.096 175.672 174.600 -0.040 0.000 1.041 180 S CA 1.906 60.031 58.200 -0.124 0.000 1.026 180 S CB -1.215 62.006 63.200 0.035 0.000 0.845 180 S HN 0.732 nan 8.310 nan 0.000 0.465 181 D N 1.979 122.401 120.400 0.036 0.000 2.190 181 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 181 D C 1.588 177.949 176.300 0.103 0.000 0.992 181 D CA 1.510 55.547 54.000 0.063 0.000 0.854 181 D CB -0.355 40.612 40.800 0.278 0.000 0.936 181 D HN 0.608 nan 8.370 nan 0.000 0.462 182 D N -0.657 119.794 120.400 0.084 0.000 2.301 182 D HA -0.033 4.607 4.640 -0.000 0.000 0.206 182 D C 2.138 178.444 176.300 0.011 0.000 0.979 182 D CA -0.075 53.979 54.000 0.090 0.000 0.874 182 D CB 0.144 40.998 40.800 0.090 0.000 0.968 182 D HN 0.126 nan 8.370 nan 0.000 0.510 183 L N 0.682 121.829 121.223 -0.127 0.000 2.046 183 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 183 L C 1.704 178.517 176.870 -0.096 0.000 1.077 183 L CA 1.606 56.323 54.840 -0.204 0.000 0.747 183 L CB -0.702 41.075 42.059 -0.469 0.000 0.896 183 L HN -0.158 nan 8.230 nan 0.000 0.432 184 F N -0.609 119.407 119.950 0.109 0.000 2.699 184 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 184 F C 2.012 177.822 175.800 0.017 0.000 1.154 184 F CA 0.759 58.782 58.000 0.038 0.000 1.457 184 F CB -0.778 38.188 39.000 -0.057 0.000 1.106 184 F HN 0.366 nan 8.300 nan 0.000 0.585 185 S N -1.205 114.609 115.700 0.190 0.000 2.952 185 S HA 0.256 4.726 4.470 -0.000 0.000 0.251 185 S C -0.055 174.630 174.600 0.143 0.000 1.021 185 S CA -0.534 57.755 58.200 0.148 0.000 1.067 185 S CB -0.635 62.653 63.200 0.148 0.000 1.002 185 S HN 0.051 nan 8.310 nan 0.000 0.574 186 L N 3.451 124.780 121.223 0.178 0.000 2.584 186 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 186 L C -2.003 174.915 176.870 0.080 0.000 1.195 186 L CA -1.090 53.764 54.840 0.024 0.000 0.920 186 L CB 0.494 42.509 42.059 -0.073 0.000 1.173 186 L HN 0.002 nan 8.230 nan 0.000 0.489 187 P HA 0.031 nan 4.420 nan 0.000 0.245 187 P C -1.572 175.822 177.300 0.157 0.000 1.212 187 P CA 0.673 63.827 63.100 0.090 0.000 0.774 187 P CB -0.138 31.651 31.700 0.148 0.000 0.999 188 Y N -4.276 116.124 120.300 0.166 0.000 2.655 188 Y HA 0.521 5.071 4.550 -0.000 0.000 0.336 188 Y C -0.569 175.128 175.900 -0.340 0.000 1.154 188 Y CA -2.377 55.743 58.100 0.033 0.000 1.055 188 Y CB -0.008 38.445 38.460 -0.011 0.000 1.295 188 Y HN -0.333 nan 8.280 nan 0.000 0.465 189 C N 3.757 122.961 119.300 -0.160 0.000 2.629 189 C HA 0.292 4.752 4.460 -0.000 0.000 0.410 189 C C -1.103 173.665 174.990 -0.369 0.000 1.339 189 C CA -1.256 57.413 59.018 -0.581 0.000 1.810 189 C CB 0.038 27.720 27.740 -0.096 0.000 2.549 189 C HN 0.782 nan 8.230 nan 0.000 0.589 190 P HA 0.112 nan 4.420 nan 0.000 0.219 190 P C 1.020 178.253 177.300 -0.113 0.000 1.146 190 P CA 2.154 65.070 63.100 -0.307 0.000 0.808 190 P CB -0.127 31.319 31.700 -0.424 0.000 0.779 191 G N -0.548 108.183 108.800 -0.115 0.000 2.562 191 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.250 191 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.250 191 G C -0.373 174.516 174.900 -0.019 0.000 1.269 191 G CA -0.290 44.785 45.100 -0.041 0.000 0.919 191 G HN 0.441 nan 8.290 nan 0.000 0.574 192 K N 1.016 121.424 120.400 0.013 0.000 2.436 192 K HA 0.397 4.717 4.320 -0.000 0.000 0.282 192 K C -0.343 176.340 176.600 0.139 0.000 1.044 192 K CA 0.902 57.226 56.287 0.063 0.000 1.028 192 K CB -0.250 32.274 32.500 0.041 0.000 0.919 192 K HN 0.528 nan 8.250 nan 0.000 0.474 193 T N 4.772 119.387 114.554 0.102 0.000 2.841 193 T HA 0.312 4.662 4.350 -0.000 0.000 0.283 193 T C -1.121 173.478 174.700 -0.170 0.000 1.000 193 T CA -0.744 61.346 62.100 -0.016 0.000 0.977 193 T CB 1.193 69.999 68.868 -0.104 0.000 0.979 193 T HN 0.450 nan 8.240 nan 0.000 0.446 194 L N 4.267 125.183 121.223 -0.511 0.000 2.287 194 L HA 0.681 5.021 4.340 -0.000 0.000 0.287 194 L C -0.986 175.628 176.870 -0.425 0.000 1.022 194 L CA -0.470 53.910 54.840 -0.765 0.000 0.814 194 L CB 1.058 42.204 42.059 -1.522 0.000 1.217 194 L HN 0.436 nan 8.230 nan 0.000 0.420 195 V N 6.153 125.866 119.914 -0.335 0.000 2.370 195 V HA 0.428 4.548 4.120 -0.000 0.000 0.279 195 V C -0.213 175.750 176.094 -0.219 0.000 1.029 195 V CA -0.666 61.481 62.300 -0.254 0.000 0.870 195 V CB 1.640 33.321 31.823 -0.237 0.000 0.984 195 V HN 0.527 nan 8.190 nan 0.000 0.451 196 V N 4.836 124.644 119.914 -0.176 0.000 2.370 196 V HA 0.937 5.057 4.120 -0.000 0.000 0.279 196 V C 0.611 176.651 176.094 -0.090 0.000 1.029 196 V CA 0.602 62.829 62.300 -0.122 0.000 0.870 196 V CB 0.704 32.465 31.823 -0.103 0.000 0.984 196 V HN 1.270 nan 8.190 nan 0.000 0.451 197 G N 3.979 112.748 108.800 -0.052 0.000 2.392 197 G HA2 0.476 4.436 3.960 -0.000 0.000 0.677 197 G HA3 0.476 4.436 3.960 -0.000 0.000 0.677 197 G C -0.372 174.526 174.900 -0.002 0.000 1.334 197 G CA -0.021 45.062 45.100 -0.027 0.000 0.961 197 G HN 1.493 nan 8.290 nan 0.000 0.616 198 A N -0.263 122.576 122.820 0.030 0.000 2.524 198 A HA 0.819 5.139 4.320 -0.000 0.000 0.267 198 A C 0.618 178.251 177.584 0.081 0.000 0.881 198 A CA 1.407 53.487 52.037 0.072 0.000 1.077 198 A CB 0.242 19.307 19.000 0.108 0.000 1.220 198 A HN 1.703 nan 8.150 nan 0.000 0.488 199 S N -1.509 114.225 115.700 0.055 0.000 2.618 199 S HA 0.483 4.953 4.470 -0.000 0.000 0.284 199 S C 1.404 176.049 174.600 0.075 0.000 1.102 199 S CA 0.214 58.474 58.200 0.101 0.000 0.984 199 S CB 0.181 63.463 63.200 0.136 0.000 1.280 199 S HN 0.765 nan 8.310 nan 0.000 0.525 200 Y N 0.202 120.549 120.300 0.077 0.000 2.224 200 Y HA 0.010 4.560 4.550 -0.000 0.000 0.289 200 Y C 1.801 177.753 175.900 0.087 0.000 1.146 200 Y CA 1.458 59.589 58.100 0.051 0.000 1.182 200 Y CB -1.353 37.148 38.460 0.068 0.000 0.983 200 Y HN 0.177 nan 8.280 nan 0.000 0.524 201 V N 1.406 121.098 119.914 -0.370 0.000 2.295 201 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 201 V C 2.909 178.963 176.094 -0.067 0.000 1.049 201 V CA 1.895 64.085 62.300 -0.185 0.000 1.024 201 V CB -1.504 30.165 31.823 -0.257 0.000 0.648 201 V HN 0.634 nan 8.190 nan 0.000 0.447 202 A N -0.088 122.681 122.820 -0.085 0.000 1.877 202 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 202 A C 2.231 179.781 177.584 -0.057 0.000 1.186 202 A CA 1.919 53.908 52.037 -0.081 0.000 0.620 202 A CB -0.582 18.378 19.000 -0.067 0.000 0.822 202 A HN 0.486 nan 8.150 nan 0.000 0.443 203 L N -0.831 120.397 121.223 0.010 0.000 2.027 203 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 203 L C 2.663 179.567 176.870 0.057 0.000 1.074 203 L CA 1.727 56.597 54.840 0.051 0.000 0.745 203 L CB -0.855 41.263 42.059 0.098 0.000 0.898 203 L HN 0.494 nan 8.230 nan 0.000 0.433 204 E N -0.323 119.940 120.200 0.106 0.000 2.049 204 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 204 E C 2.320 178.972 176.600 0.087 0.000 1.007 204 E CA 1.857 58.368 56.400 0.184 0.000 0.809 204 E CB -0.265 29.615 29.700 0.300 0.000 0.749 204 E HN 0.547 nan 8.360 nan 0.000 0.450 205 C N 0.734 119.980 119.300 -0.091 0.000 2.436 205 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 205 C C 2.974 177.569 174.990 -0.659 0.000 1.241 205 C CA 0.771 59.428 59.018 -0.602 0.000 1.721 205 C CB -1.082 26.437 27.740 -0.368 0.000 2.043 205 C HN 0.540 nan 8.230 nan 0.000 0.472 206 A N 0.964 123.588 122.820 -0.326 0.000 1.917 206 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 206 A C 2.363 179.834 177.584 -0.188 0.000 1.182 206 A CA 2.299 54.181 52.037 -0.258 0.000 0.633 206 A CB -1.350 17.527 19.000 -0.205 0.000 0.819 206 A HN 0.580 nan 8.150 nan 0.000 0.448 207 G N 0.043 108.788 108.800 -0.091 0.000 2.514 207 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 207 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 207 G C 1.391 176.365 174.900 0.123 0.000 1.198 207 G CA 1.503 46.646 45.100 0.073 0.000 0.780 207 G HN 0.888 nan 8.290 nan 0.000 0.565 208 F N 0.620 120.665 119.950 0.158 0.000 2.367 208 F HA 0.322 4.849 4.527 -0.000 0.000 0.298 208 F C 2.167 178.033 175.800 0.110 0.000 1.094 208 F CA 0.250 58.341 58.000 0.153 0.000 1.409 208 F CB -0.542 38.576 39.000 0.196 0.000 1.064 208 F HN 0.061 nan 8.300 nan 0.000 0.528 209 L N 0.918 122.012 121.223 -0.214 0.000 2.046 209 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 209 L C 2.952 179.840 176.870 0.030 0.000 1.077 209 L CA 1.229 56.053 54.840 -0.026 0.000 0.747 209 L CB -1.166 40.778 42.059 -0.190 0.000 0.896 209 L HN 0.353 nan 8.230 nan 0.000 0.432 210 A N 0.374 123.194 122.820 -0.001 0.000 1.898 210 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 210 A C 2.415 180.036 177.584 0.062 0.000 1.181 210 A CA 1.558 53.612 52.037 0.028 0.000 0.620 210 A CB -1.232 17.783 19.000 0.026 0.000 0.819 210 A HN 0.428 nan 8.150 nan 0.000 0.442 211 G N 0.750 109.608 108.800 0.095 0.000 2.450 211 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 211 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 211 G C 1.343 176.265 174.900 0.037 0.000 1.130 211 G CA 1.189 46.342 45.100 0.087 0.000 0.760 211 G HN 0.910 nan 8.290 nan 0.000 0.557 212 I N -3.131 117.456 120.570 0.029 0.000 3.812 212 I HA 0.518 4.688 4.170 -0.000 0.000 0.320 212 I C 1.324 177.451 176.117 0.017 0.000 1.276 212 I CA 0.436 61.678 61.300 -0.097 0.000 1.164 212 I CB 0.164 37.980 38.000 -0.308 0.000 1.009 212 I HN 0.168 nan 8.210 nan 0.000 0.431 213 G N 1.530 110.361 108.800 0.052 0.000 2.154 213 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.186 213 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.186 213 G C -0.144 174.793 174.900 0.061 0.000 1.000 213 G CA -0.297 44.841 45.100 0.063 0.000 0.664 213 G HN 0.322 nan 8.290 nan 0.000 0.513 214 L N 0.929 122.184 121.223 0.055 0.000 2.379 214 L HA 0.487 4.827 4.340 -0.000 0.000 0.269 214 L C 0.334 177.213 176.870 0.015 0.000 1.084 214 L CA -0.982 53.879 54.840 0.034 0.000 0.802 214 L CB 0.989 43.061 42.059 0.022 0.000 1.175 214 L HN 0.108 nan 8.230 nan 0.000 0.448 215 D N 2.275 122.682 120.400 0.011 0.000 2.346 215 D HA 0.207 4.846 4.640 -0.000 0.000 0.260 215 D C -0.984 175.321 176.300 0.009 0.000 1.252 215 D CA 0.094 54.099 54.000 0.009 0.000 0.895 215 D CB 0.801 41.607 40.800 0.010 0.000 1.097 215 D HN 0.071 nan 8.370 nan 0.000 0.489 216 V N 3.643 123.545 119.914 -0.019 0.000 2.656 216 V HA 0.455 4.575 4.120 -0.000 0.000 0.307 216 V C 0.237 176.270 176.094 -0.103 0.000 1.051 216 V CA -0.687 61.573 62.300 -0.067 0.000 0.893 216 V CB 2.315 34.072 31.823 -0.109 0.000 0.999 216 V HN 0.537 nan 8.190 nan 0.000 0.426 217 T N 3.418 117.890 114.554 -0.137 0.000 2.848 217 T HA 0.596 4.946 4.350 -0.000 0.000 0.285 217 T C -0.690 173.822 174.700 -0.313 0.000 0.995 217 T CA -0.430 61.557 62.100 -0.188 0.000 0.970 217 T CB 1.852 70.703 68.868 -0.027 0.000 0.976 217 T HN 0.340 nan 8.240 nan 0.000 0.441 218 V N 4.153 123.799 119.914 -0.446 0.000 2.398 218 V HA 0.504 4.624 4.120 -0.000 0.000 0.286 218 V C -0.091 175.866 176.094 -0.228 0.000 1.026 218 V CA -0.799 61.250 62.300 -0.420 0.000 0.868 218 V CB 1.527 32.937 31.823 -0.688 0.000 0.982 218 V HN 0.886 nan 8.190 nan 0.000 0.443 219 M N 6.181 125.701 119.600 -0.132 0.000 2.129 219 M HA 0.616 5.096 4.480 -0.000 0.000 0.348 219 M C -1.436 174.889 176.300 0.042 0.000 1.116 219 M CA -0.335 54.951 55.300 -0.024 0.000 1.022 219 M CB 1.316 33.892 32.600 -0.040 0.000 1.599 219 M HN 0.449 nan 8.290 nan 0.000 0.449 220 V N 6.131 126.116 119.914 0.119 0.000 2.417 220 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 220 V C 0.812 176.976 176.094 0.117 0.000 1.024 220 V CA -0.630 61.747 62.300 0.128 0.000 0.861 220 V CB 1.382 33.313 31.823 0.179 0.000 0.985 220 V HN 1.014 nan 8.190 nan 0.000 0.436 221 R N 2.888 123.437 120.500 0.083 0.000 2.062 221 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 221 R C 1.592 177.923 176.300 0.052 0.000 1.136 221 R CA 2.078 58.215 56.100 0.062 0.000 0.948 221 R CB 0.211 30.538 30.300 0.045 0.000 0.845 221 R HN 0.915 nan 8.270 nan 0.000 0.430 222 S N -0.716 115.018 115.700 0.056 0.000 4.406 222 S HA 0.230 4.700 4.470 -0.000 0.000 0.160 222 S C 0.599 175.230 174.600 0.052 0.000 0.981 222 S CA -0.329 57.898 58.200 0.045 0.000 1.170 222 S CB -0.317 62.904 63.200 0.035 0.000 1.909 222 S HN 0.296 nan 8.310 nan 0.000 0.836 223 I N 0.750 121.353 120.570 0.055 0.000 2.822 223 I HA 0.636 4.806 4.170 -0.000 0.000 0.312 223 I C -0.931 175.229 176.117 0.071 0.000 1.011 223 I CA -1.427 59.905 61.300 0.053 0.000 1.105 223 I CB 1.084 39.114 38.000 0.050 0.000 1.291 223 I HN 0.378 nan 8.210 nan 0.000 0.474 224 L N 3.988 125.246 121.223 0.060 0.000 2.371 224 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 224 L C 0.107 177.038 176.870 0.100 0.000 1.124 224 L CA -0.848 54.037 54.840 0.076 0.000 0.816 224 L CB 0.846 42.928 42.059 0.038 0.000 1.129 224 L HN 0.658 nan 8.230 nan 0.000 0.448 225 L N 2.040 123.342 121.223 0.132 0.000 3.713 225 L HA -0.222 4.118 4.340 -0.000 0.000 0.499 225 L C 0.794 177.875 176.870 0.353 0.000 1.281 225 L CA 0.223 55.196 54.840 0.222 0.000 0.796 225 L CB -1.216 40.881 42.059 0.063 0.000 1.535 225 L HN 0.709 nan 8.230 nan 0.000 0.851 226 R N 0.957 121.610 120.500 0.255 0.000 2.504 226 R HA 0.238 4.578 4.340 -0.000 0.000 0.291 226 R C 1.421 177.861 176.300 0.233 0.000 0.974 226 R CA 1.391 57.613 56.100 0.203 0.000 1.077 226 R CB 0.229 30.612 30.300 0.138 0.000 0.926 226 R HN 0.560 nan 8.270 nan 0.000 0.407 227 G N 3.538 112.436 108.800 0.164 0.000 2.339 227 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.209 227 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.209 227 G C -0.163 174.727 174.900 -0.016 0.000 1.015 227 G CA -0.246 44.879 45.100 0.041 0.000 0.635 227 G HN 0.503 nan 8.290 nan 0.000 0.499 228 F N 2.266 122.302 119.950 0.144 0.000 2.370 228 F HA 0.493 5.020 4.527 -0.000 0.000 0.324 228 F C 0.881 176.771 175.800 0.149 0.000 1.116 228 F CA -0.432 57.688 58.000 0.199 0.000 1.123 228 F CB 0.616 39.778 39.000 0.270 0.000 1.238 228 F HN 0.023 nan 8.300 nan 0.000 0.536 229 D N 2.120 122.750 120.400 0.383 0.000 2.570 229 D HA -0.115 4.525 4.640 -0.000 0.000 0.243 229 D C 0.846 177.195 176.300 0.082 0.000 1.171 229 D CA 0.193 54.287 54.000 0.155 0.000 0.879 229 D CB 0.867 41.667 40.800 -0.001 0.000 1.143 229 D HN 0.467 nan 8.370 nan 0.000 0.511 230 Q N 3.077 122.906 119.800 0.048 0.000 2.170 230 Q HA -0.160 4.180 4.340 -0.000 0.000 0.203 230 Q C 1.306 177.281 176.000 -0.041 0.000 0.976 230 Q CA 1.094 56.908 55.803 0.018 0.000 0.858 230 Q CB -0.108 28.643 28.738 0.021 0.000 0.907 230 Q HN 0.645 nan 8.270 nan 0.000 0.433 231 D N -0.458 119.902 120.400 -0.067 0.000 2.144 231 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 231 D C 1.671 177.872 176.300 -0.165 0.000 0.978 231 D CA 0.799 54.734 54.000 -0.109 0.000 0.833 231 D CB 0.200 40.937 40.800 -0.105 0.000 0.961 231 D HN 0.013 nan 8.370 nan 0.000 0.470 232 M N 0.496 119.981 119.600 -0.191 0.000 2.117 232 M HA -0.017 4.462 4.480 -0.000 0.000 0.262 232 M C 2.367 178.470 176.300 -0.327 0.000 1.065 232 M CA 1.236 56.336 55.300 -0.334 0.000 1.114 232 M CB -1.463 30.785 32.600 -0.585 0.000 1.361 232 M HN 0.121 nan 8.290 nan 0.000 0.408 233 A N 0.719 123.414 122.820 -0.210 0.000 1.902 233 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 233 A C 2.042 179.553 177.584 -0.121 0.000 1.181 233 A CA 1.799 53.752 52.037 -0.139 0.000 0.623 233 A CB -0.739 18.244 19.000 -0.029 0.000 0.818 233 A HN 0.497 nan 8.150 nan 0.000 0.443 234 N N -0.090 118.540 118.700 -0.116 0.000 2.244 234 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 234 N C 1.587 177.026 175.510 -0.117 0.000 1.016 234 N CA 1.308 54.289 53.050 -0.114 0.000 0.866 234 N CB -0.282 38.146 38.487 -0.099 0.000 0.980 234 N HN 0.569 nan 8.380 nan 0.000 0.430 235 K N 0.619 120.942 120.400 -0.128 0.000 2.057 235 K HA 0.040 4.360 4.320 -0.000 0.000 0.206 235 K C 2.038 178.616 176.600 -0.036 0.000 1.050 235 K CA 0.700 56.932 56.287 -0.091 0.000 0.935 235 K CB -0.080 32.343 32.500 -0.128 0.000 0.715 235 K HN 0.118 nan 8.250 nan 0.000 0.439 236 I N 0.711 121.238 120.570 -0.071 0.000 2.163 236 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 236 I C 2.500 178.641 176.117 0.040 0.000 1.085 236 I CA 1.470 62.766 61.300 -0.007 0.000 1.347 236 I CB -0.719 37.254 38.000 -0.046 0.000 1.044 236 I HN 0.291 nan 8.210 nan 0.000 0.408 237 G N 0.215 108.978 108.800 -0.062 0.000 2.491 237 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 237 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 237 G C 1.553 176.329 174.900 -0.207 0.000 1.180 237 G CA 0.906 45.878 45.100 -0.214 0.000 0.774 237 G HN 0.402 nan 8.290 nan 0.000 0.562 238 E N -0.810 119.319 120.200 -0.118 0.000 2.110 238 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 238 E C 2.210 178.824 176.600 0.024 0.000 0.988 238 E CA 0.708 57.062 56.400 -0.077 0.000 0.804 238 E CB -0.222 29.444 29.700 -0.057 0.000 0.745 238 E HN 0.568 nan 8.360 nan 0.000 0.458 239 H N 0.363 119.451 119.070 0.030 0.000 2.353 239 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 239 H C 2.034 177.505 175.328 0.239 0.000 1.090 239 H CA 1.483 57.622 56.048 0.152 0.000 1.327 239 H CB 0.023 29.870 29.762 0.141 0.000 1.383 239 H HN 0.177 nan 8.280 nan 0.000 0.508 240 M N 0.271 120.045 119.600 0.290 0.000 2.159 240 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 240 M C 2.431 178.890 176.300 0.265 0.000 1.063 240 M CA 1.805 57.294 55.300 0.315 0.000 1.110 240 M CB -0.115 32.751 32.600 0.443 0.000 1.374 240 M HN 0.295 nan 8.290 nan 0.000 0.411 241 E N 0.671 120.992 120.200 0.202 0.000 2.072 241 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 241 E C 1.618 178.222 176.600 0.007 0.000 0.985 241 E CA 1.381 57.872 56.400 0.153 0.000 0.801 241 E CB 0.102 29.814 29.700 0.020 0.000 0.750 241 E HN 0.482 nan 8.360 nan 0.000 0.452 242 E N -0.992 119.146 120.200 -0.105 0.000 2.268 242 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 242 E C 0.200 176.496 176.600 -0.506 0.000 0.995 242 E CA 0.690 56.907 56.400 -0.305 0.000 0.836 242 E CB 0.076 29.537 29.700 -0.398 0.000 0.763 242 E HN 0.406 nan 8.360 nan 0.000 0.491 243 H N -1.303 117.671 119.070 -0.161 0.000 2.476 243 H HA 0.320 4.876 4.556 -0.000 0.000 0.256 243 H C 0.689 175.991 175.328 -0.044 0.000 1.321 243 H CA 0.133 56.099 56.048 -0.136 0.000 1.056 243 H CB 0.733 30.358 29.762 -0.229 0.000 1.643 243 H HN 0.253 nan 8.280 nan 0.000 0.541 244 G N 0.519 109.333 108.800 0.024 0.000 3.400 244 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.209 244 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.209 244 G C 0.321 175.243 174.900 0.037 0.000 1.411 244 G CA -0.251 44.868 45.100 0.032 0.000 0.917 244 G HN 0.321 nan 8.290 nan 0.000 0.570 245 I N 3.253 123.856 120.570 0.054 0.000 2.919 245 I HA 0.138 4.308 4.170 -0.000 0.000 0.299 245 I C 0.824 176.954 176.117 0.021 0.000 1.221 245 I CA 0.894 62.189 61.300 -0.008 0.000 1.424 245 I CB 0.399 38.389 38.000 -0.016 0.000 1.358 245 I HN 0.216 nan 8.210 nan 0.000 0.551 246 K N 6.659 127.009 120.400 -0.082 0.000 2.130 246 K HA 0.575 4.895 4.320 -0.000 0.000 0.268 246 K C -1.042 175.468 176.600 -0.149 0.000 0.983 246 K CA -0.533 55.753 56.287 -0.002 0.000 0.893 246 K CB 1.291 33.789 32.500 -0.003 0.000 1.066 246 K HN 0.218 nan 8.250 nan 0.000 0.450 247 F N 2.112 122.060 119.950 -0.003 0.000 2.482 247 F HA 0.429 4.956 4.527 -0.000 0.000 0.331 247 F C 0.056 175.857 175.800 0.001 0.000 1.115 247 F CA -0.825 57.175 58.000 0.000 0.000 0.955 247 F CB 1.225 40.229 39.000 0.007 0.000 1.136 247 F HN 0.226 nan 8.300 nan 0.000 0.452 248 I N 5.075 125.727 120.570 0.136 0.000 2.330 248 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 248 I C -0.459 175.780 176.117 0.204 0.000 1.001 248 I CA -0.902 60.454 61.300 0.093 0.000 1.193 248 I CB 0.843 38.814 38.000 -0.048 0.000 1.345 248 I HN 0.362 nan 8.210 nan 0.000 0.461 249 R N 5.074 125.721 120.500 0.246 0.000 2.312 249 R HA 0.383 4.723 4.340 -0.000 0.000 0.311 249 R C -0.361 176.123 176.300 0.306 0.000 1.004 249 R CA -0.794 55.450 56.100 0.240 0.000 0.902 249 R CB 0.977 31.371 30.300 0.155 0.000 1.073 249 R HN 0.564 nan 8.270 nan 0.000 0.457 250 Q N 0.801 120.715 119.800 0.191 0.000 2.457 250 Q HA -0.206 4.134 4.340 -0.000 0.000 0.333 250 Q C -1.350 174.604 176.000 -0.077 0.000 1.448 250 Q CA 0.890 56.723 55.803 0.049 0.000 0.891 250 Q CB -1.362 27.353 28.738 -0.038 0.000 1.142 250 Q HN 0.464 nan 8.270 nan 0.000 0.375 251 F N -1.199 118.768 119.950 0.029 0.000 2.601 251 F HA 0.732 5.259 4.527 -0.000 0.000 0.309 251 F C -0.217 175.594 175.800 0.017 0.000 1.089 251 F CA -0.995 57.019 58.000 0.024 0.000 0.940 251 F CB 1.906 40.923 39.000 0.027 0.000 1.273 251 F HN -0.135 nan 8.300 nan 0.000 0.450 252 V N 3.634 123.665 119.914 0.195 0.000 2.638 252 V HA 0.470 4.590 4.120 -0.000 0.000 0.306 252 V C -2.310 173.857 176.094 0.122 0.000 1.052 252 V CA -1.954 60.414 62.300 0.114 0.000 0.885 252 V CB 2.207 34.065 31.823 0.058 0.000 0.999 252 V HN 0.459 nan 8.190 nan 0.000 0.424 253 P HA 0.191 nan 4.420 nan 0.000 0.269 253 P C 0.362 177.707 177.300 0.076 0.000 1.215 253 P CA 0.144 63.292 63.100 0.081 0.000 0.780 253 P CB 0.935 32.663 31.700 0.046 0.000 0.898 254 T N -1.792 112.809 114.554 0.078 0.000 2.989 254 T HA 0.179 4.529 4.350 -0.000 0.000 0.250 254 T C 0.433 175.173 174.700 0.066 0.000 0.981 254 T CA 0.029 62.170 62.100 0.068 0.000 0.980 254 T CB 0.123 69.031 68.868 0.066 0.000 1.133 254 T HN 0.572 nan 8.240 nan 0.000 0.489 255 K N 0.539 120.982 120.400 0.071 0.000 2.546 255 K HA 0.686 5.006 4.320 -0.000 0.000 0.264 255 K C -2.182 174.469 176.600 0.086 0.000 0.937 255 K CA -1.078 55.256 56.287 0.077 0.000 0.833 255 K CB 1.694 34.235 32.500 0.069 0.000 1.378 255 K HN 0.007 nan 8.250 nan 0.000 0.432 256 I N 2.185 122.821 120.570 0.111 0.000 2.382 256 I HA 0.198 4.368 4.170 -0.000 0.000 0.286 256 I C -0.785 175.411 176.117 0.132 0.000 1.002 256 I CA -0.240 61.133 61.300 0.122 0.000 1.135 256 I CB 1.798 39.895 38.000 0.161 0.000 1.288 256 I HN 0.637 nan 8.210 nan 0.000 0.448 257 E N 5.386 125.602 120.200 0.027 0.000 2.212 257 E HA 0.461 4.811 4.350 -0.000 0.000 0.268 257 E C -1.017 175.424 176.600 -0.265 0.000 0.902 257 E CA -1.109 55.252 56.400 -0.066 0.000 0.779 257 E CB 1.863 31.554 29.700 -0.014 0.000 1.172 257 E HN 0.476 nan 8.360 nan 0.000 0.409 258 Q N 2.717 122.179 119.800 -0.564 0.000 2.295 258 Q HA 0.169 4.509 4.340 -0.000 0.000 0.259 258 Q C 0.031 175.870 176.000 -0.267 0.000 0.976 258 Q CA -0.024 55.430 55.803 -0.582 0.000 0.923 258 Q CB 0.762 28.945 28.738 -0.925 0.000 1.185 258 Q HN 0.771 nan 8.270 nan 0.000 0.410 259 I N 2.613 123.071 120.570 -0.187 0.000 2.852 259 I HA 0.095 4.265 4.170 -0.000 0.000 0.264 259 I C 0.414 176.469 176.117 -0.103 0.000 1.179 259 I CA 0.554 61.783 61.300 -0.118 0.000 1.480 259 I CB 0.401 38.345 38.000 -0.094 0.000 1.111 259 I HN 0.665 nan 8.210 nan 0.000 0.441 260 E N 0.333 120.463 120.200 -0.116 0.000 2.388 260 E HA 0.520 4.870 4.350 -0.000 0.000 0.289 260 E C -1.272 175.272 176.600 -0.094 0.000 0.944 260 E CA -0.565 55.782 56.400 -0.089 0.000 0.792 260 E CB 1.626 31.280 29.700 -0.077 0.000 1.239 260 E HN 0.095 nan 8.360 nan 0.000 0.412 261 A N 2.176 124.956 122.820 -0.066 0.000 2.332 261 A HA 0.883 5.203 4.320 -0.000 0.000 0.258 261 A C 0.420 177.958 177.584 -0.077 0.000 1.087 261 A CA 0.669 52.675 52.037 -0.052 0.000 0.802 261 A CB 0.881 19.875 19.000 -0.011 0.000 1.042 261 A HN 0.763 nan 8.150 nan 0.000 0.489 262 G N -1.155 107.580 108.800 -0.109 0.000 2.313 262 G HA2 0.535 4.495 3.960 -0.000 0.000 0.296 262 G HA3 0.535 4.495 3.960 -0.000 0.000 0.296 262 G C -0.689 174.022 174.900 -0.315 0.000 1.356 262 G CA 0.194 45.195 45.100 -0.165 0.000 0.833 262 G HN 1.622 nan 8.290 nan 0.000 0.552 263 T N -0.301 114.001 114.554 -0.420 0.000 3.305 263 T HA 0.648 4.998 4.350 -0.000 0.000 0.348 263 T C -2.628 171.640 174.700 -0.721 0.000 1.394 263 T CA -1.112 60.445 62.100 -0.904 0.000 1.549 263 T CB 1.585 70.171 68.868 -0.471 0.000 0.962 263 T HN 0.542 nan 8.240 nan 0.000 0.609 264 P HA 0.520 nan 4.420 nan 0.000 0.279 264 P C 0.614 177.738 177.300 -0.293 0.000 1.252 264 P CA -0.093 62.680 63.100 -0.545 0.000 0.811 264 P CB 1.247 32.841 31.700 -0.176 0.000 1.035 265 G N 1.421 110.093 108.800 -0.212 0.000 2.630 265 G HA2 0.472 4.432 3.960 -0.000 0.000 0.223 265 G HA3 0.472 4.432 3.960 -0.000 0.000 0.223 265 G C -0.676 174.166 174.900 -0.097 0.000 1.434 265 G CA -0.766 44.252 45.100 -0.136 0.000 1.057 265 G HN 0.451 nan 8.290 nan 0.000 0.570 266 R N -0.818 119.626 120.500 -0.092 0.000 2.532 266 R HA 0.497 4.837 4.340 -0.000 0.000 0.297 266 R C -1.145 175.101 176.300 -0.090 0.000 0.984 266 R CA -0.417 55.636 56.100 -0.078 0.000 0.884 266 R CB 1.905 32.155 30.300 -0.083 0.000 1.182 266 R HN 0.244 nan 8.270 nan 0.000 0.442 267 L N 2.289 123.486 121.223 -0.043 0.000 2.346 267 L HA 0.535 4.875 4.340 -0.000 0.000 0.276 267 L C -0.254 176.623 176.870 0.012 0.000 1.006 267 L CA -0.859 53.956 54.840 -0.042 0.000 0.817 267 L CB 2.054 44.121 42.059 0.013 0.000 1.272 267 L HN 0.373 nan 8.230 nan 0.000 0.421 268 K N 2.538 122.930 120.400 -0.013 0.000 2.240 268 K HA 0.565 4.885 4.320 -0.000 0.000 0.271 268 K C -1.330 175.312 176.600 0.071 0.000 1.018 268 K CA -0.477 55.819 56.287 0.016 0.000 0.874 268 K CB 1.567 34.054 32.500 -0.022 0.000 1.098 268 K HN 0.374 nan 8.250 nan 0.000 0.458 269 V N 3.488 123.488 119.914 0.144 0.000 2.435 269 V HA 0.323 4.443 4.120 -0.000 0.000 0.290 269 V C -0.289 175.870 176.094 0.109 0.000 1.030 269 V CA -0.640 61.746 62.300 0.144 0.000 0.881 269 V CB 1.877 33.813 31.823 0.188 0.000 0.983 269 V HN 0.815 nan 8.190 nan 0.000 0.445 270 T N 3.915 118.519 114.554 0.085 0.000 2.807 270 T HA 0.799 5.149 4.350 -0.000 0.000 0.279 270 T C -0.228 174.531 174.700 0.097 0.000 0.993 270 T CA -0.374 61.773 62.100 0.078 0.000 0.970 270 T CB 1.692 70.599 68.868 0.065 0.000 0.950 270 T HN 0.964 nan 8.240 nan 0.000 0.441 271 A N 2.804 125.700 122.820 0.126 0.000 2.435 271 A HA 0.802 5.122 4.320 -0.000 0.000 0.304 271 A C -0.730 177.047 177.584 0.321 0.000 1.064 271 A CA -0.923 51.238 52.037 0.206 0.000 0.727 271 A CB 1.605 20.734 19.000 0.214 0.000 1.284 271 A HN 0.725 nan 8.150 nan 0.000 0.415 272 K N 1.030 121.588 120.400 0.264 0.000 2.164 272 K HA 0.533 4.853 4.320 -0.000 0.000 0.258 272 K C 0.309 176.842 176.600 -0.113 0.000 0.951 272 K CA -0.323 56.051 56.287 0.144 0.000 0.844 272 K CB 1.459 33.988 32.500 0.048 0.000 1.099 272 K HN 0.797 nan 8.250 nan 0.000 0.435 273 S N 1.684 117.090 115.700 -0.490 0.000 2.566 273 S HA -0.040 4.430 4.470 -0.000 0.000 0.280 273 S C 0.881 175.224 174.600 -0.429 0.000 1.343 273 S CA 0.179 57.811 58.200 -0.947 0.000 1.036 273 S CB 0.713 63.501 63.200 -0.687 0.000 0.866 273 S HN 0.722 nan 8.310 nan 0.000 0.526 274 T N 2.897 117.219 114.554 -0.386 0.000 3.014 274 T HA -0.001 4.349 4.350 -0.000 0.000 0.263 274 T C 1.270 175.891 174.700 -0.132 0.000 1.078 274 T CA 1.431 63.420 62.100 -0.185 0.000 1.135 274 T CB -0.347 68.444 68.868 -0.129 0.000 0.895 274 T HN 0.880 nan 8.240 nan 0.000 0.480 275 N N -0.033 118.577 118.700 -0.150 0.000 2.325 275 N HA 0.108 4.848 4.740 -0.000 0.000 0.220 275 N C 0.917 176.376 175.510 -0.085 0.000 1.176 275 N CA 0.120 53.114 53.050 -0.093 0.000 0.861 275 N CB 0.171 38.614 38.487 -0.074 0.000 1.230 275 N HN 0.298 nan 8.380 nan 0.000 0.479 276 S N -0.385 115.247 115.700 -0.114 0.000 2.561 276 S HA 0.440 4.910 4.470 -0.000 0.000 0.282 276 S C 0.566 175.121 174.600 -0.075 0.000 1.123 276 S CA -0.284 57.868 58.200 -0.079 0.000 1.011 276 S CB 1.206 64.368 63.200 -0.063 0.000 1.244 276 S HN -0.043 nan 8.310 nan 0.000 0.503 277 E N 0.064 120.239 120.200 -0.043 0.000 2.539 277 E HA 0.308 4.658 4.350 -0.000 0.000 0.215 277 E C 0.101 176.704 176.600 0.004 0.000 0.965 277 E CA -0.194 56.194 56.400 -0.021 0.000 1.019 277 E CB 0.034 29.731 29.700 -0.006 0.000 1.059 277 E HN 0.653 nan 8.360 nan 0.000 0.496 278 E N 0.134 120.341 120.200 0.012 0.000 2.467 278 E HA -0.000 4.350 4.350 -0.000 0.000 0.264 278 E C -0.615 176.080 176.600 0.160 0.000 1.020 278 E CA 0.716 57.168 56.400 0.087 0.000 0.945 278 E CB 0.587 30.366 29.700 0.132 0.000 0.942 278 E HN -0.045 nan 8.360 nan 0.000 0.449 279 T N 3.460 118.122 114.554 0.180 0.000 2.876 279 T HA 0.554 4.904 4.350 -0.000 0.000 0.289 279 T C -0.627 174.171 174.700 0.163 0.000 1.014 279 T CA -0.636 61.578 62.100 0.189 0.000 0.986 279 T CB 0.530 69.461 68.868 0.104 0.000 1.021 279 T HN 0.432 nan 8.240 nan 0.000 0.458 280 I N 0.099 120.747 120.570 0.130 0.000 2.730 280 I HA 0.773 4.943 4.170 -0.000 0.000 0.298 280 I C -0.857 175.262 176.117 0.004 0.000 1.089 280 I CA -1.051 60.248 61.300 -0.003 0.000 1.041 280 I CB 2.598 40.483 38.000 -0.193 0.000 1.235 280 I HN 0.448 nan 8.210 nan 0.000 0.423 281 E N 2.775 122.966 120.200 -0.015 0.000 2.248 281 E HA 0.573 4.923 4.350 -0.000 0.000 0.267 281 E C -1.614 174.962 176.600 -0.039 0.000 0.877 281 E CA -0.692 55.705 56.400 -0.005 0.000 0.759 281 E CB 2.640 32.334 29.700 -0.010 0.000 1.182 281 E HN 0.583 nan 8.360 nan 0.000 0.418 282 D N 1.083 121.465 120.400 -0.029 0.000 2.596 282 D HA 0.157 4.797 4.640 -0.000 0.000 0.262 282 D C -1.582 174.563 176.300 -0.258 0.000 1.210 282 D CA -0.543 53.346 54.000 -0.186 0.000 0.873 282 D CB 1.705 42.342 40.800 -0.272 0.000 1.408 282 D HN 0.477 nan 8.370 nan 0.000 0.441 283 E N 0.610 120.513 120.200 -0.495 0.000 2.227 283 E HA 0.636 4.986 4.350 -0.000 0.000 0.268 283 E C -1.321 174.818 176.600 -0.770 0.000 0.907 283 E CA -0.611 55.534 56.400 -0.426 0.000 0.786 283 E CB 1.556 31.129 29.700 -0.212 0.000 1.191 283 E HN 0.226 nan 8.360 nan 0.000 0.411 284 F N 1.095 121.007 119.950 -0.063 0.000 2.629 284 F HA 0.348 4.875 4.527 -0.000 0.000 0.316 284 F C 1.129 176.891 175.800 -0.063 0.000 1.081 284 F CA -1.026 56.936 58.000 -0.062 0.000 0.954 284 F CB 1.774 40.738 39.000 -0.060 0.000 1.337 284 F HN 0.420 nan 8.300 nan 0.000 0.474 285 N N -0.322 118.452 118.700 0.124 0.000 2.333 285 N HA 0.041 4.781 4.740 -0.000 0.000 0.178 285 N C -0.213 175.336 175.510 0.064 0.000 1.018 285 N CA 0.945 54.023 53.050 0.048 0.000 0.882 285 N CB 0.287 38.780 38.487 0.011 0.000 0.984 285 N HN 0.487 nan 8.380 nan 0.000 0.434 286 T N 0.337 114.940 114.554 0.082 0.000 2.993 286 T HA 0.393 4.743 4.350 -0.000 0.000 0.312 286 T C -0.906 173.777 174.700 -0.028 0.000 1.115 286 T CA -0.503 61.620 62.100 0.039 0.000 1.027 286 T CB 2.885 71.755 68.868 0.003 0.000 1.116 286 T HN -0.357 nan 8.240 nan 0.000 0.464 287 V N 3.927 123.821 119.914 -0.033 0.000 2.378 287 V HA 0.548 4.668 4.120 -0.000 0.000 0.288 287 V C -0.549 175.489 176.094 -0.094 0.000 1.016 287 V CA -0.813 61.418 62.300 -0.114 0.000 0.840 287 V CB 1.396 33.172 31.823 -0.079 0.000 0.994 287 V HN 0.735 nan 8.190 nan 0.000 0.431 288 L N 6.882 128.016 121.223 -0.149 0.000 2.272 288 L HA 0.588 4.928 4.340 -0.000 0.000 0.289 288 L C -0.634 176.141 176.870 -0.158 0.000 1.032 288 L CA 0.133 54.886 54.840 -0.146 0.000 0.810 288 L CB 1.016 42.971 42.059 -0.173 0.000 1.205 288 L HN 0.528 nan 8.230 nan 0.000 0.422 289 L N 6.180 127.307 121.223 -0.161 0.000 2.265 289 L HA 0.654 4.994 4.340 -0.000 0.000 0.288 289 L C 0.204 176.961 176.870 -0.189 0.000 1.058 289 L CA -0.432 54.297 54.840 -0.184 0.000 0.809 289 L CB 1.328 43.234 42.059 -0.255 0.000 1.179 289 L HN 0.855 nan 8.230 nan 0.000 0.429 290 A N 4.088 126.817 122.820 -0.152 0.000 3.159 290 A HA 0.501 4.821 4.320 -0.000 0.000 0.330 290 A C 0.083 177.602 177.584 -0.109 0.000 1.032 290 A CA -0.347 51.608 52.037 -0.137 0.000 0.841 290 A CB 0.413 19.334 19.000 -0.132 0.000 1.093 290 A HN 0.529 nan 8.150 nan 0.000 0.478 291 V N -1.349 118.502 119.914 -0.104 0.000 2.854 291 V HA 0.700 4.820 4.120 -0.000 0.000 0.366 291 V C 0.480 176.550 176.094 -0.040 0.000 1.322 291 V CA 0.034 62.297 62.300 -0.061 0.000 1.243 291 V CB -0.780 31.011 31.823 -0.052 0.000 1.337 291 V HN 2.021 nan 8.190 nan 0.000 0.585 292 G N 0.996 109.768 108.800 -0.047 0.000 2.603 292 G HA2 0.021 3.981 3.960 -0.000 0.000 0.686 292 G HA3 0.021 3.981 3.960 -0.000 0.000 0.686 292 G C -0.797 174.099 174.900 -0.006 0.000 1.286 292 G CA -0.645 44.446 45.100 -0.014 0.000 0.871 292 G HN 0.714 nan 8.290 nan 0.000 0.568 293 R N 0.112 120.629 120.500 0.028 0.000 2.725 293 R HA 0.583 4.923 4.340 -0.000 0.000 0.277 293 R C -1.743 174.596 176.300 0.066 0.000 0.987 293 R CA -1.049 55.081 56.100 0.049 0.000 0.901 293 R CB 2.222 32.560 30.300 0.062 0.000 1.207 293 R HN 0.526 nan 8.270 nan 0.000 0.463 294 D N 0.901 121.348 120.400 0.079 0.000 2.192 294 D HA 0.222 4.862 4.640 -0.000 0.000 0.246 294 D C -0.343 176.009 176.300 0.086 0.000 1.042 294 D CA -0.284 53.763 54.000 0.079 0.000 0.847 294 D CB 1.975 42.825 40.800 0.084 0.000 1.186 294 D HN 0.260 nan 8.370 nan 0.000 0.461 295 S N 0.814 116.559 115.700 0.075 0.000 2.549 295 S HA 0.042 4.512 4.470 -0.000 0.000 0.286 295 S C 0.316 174.966 174.600 0.083 0.000 1.314 295 S CA -0.361 57.885 58.200 0.075 0.000 1.062 295 S CB 0.281 63.516 63.200 0.059 0.000 0.865 295 S HN 0.461 nan 8.310 nan 0.000 0.498 296 C N 3.773 123.128 119.300 0.091 0.000 2.400 296 C HA 0.329 4.789 4.460 -0.000 0.000 0.457 296 C C 1.811 176.852 174.990 0.085 0.000 1.020 296 C CA -0.611 58.469 59.018 0.103 0.000 1.258 296 C CB -2.173 25.640 27.740 0.123 0.000 1.532 296 C HN 1.039 nan 8.230 nan 0.000 0.537 297 T N -2.691 111.910 114.554 0.077 0.000 3.087 297 T HA 0.093 4.443 4.350 -0.000 0.000 0.283 297 T C 1.579 176.318 174.700 0.065 0.000 0.956 297 T CA -0.231 61.907 62.100 0.064 0.000 0.894 297 T CB -0.012 68.885 68.868 0.047 0.000 1.160 297 T HN 0.427 nan 8.240 nan 0.000 0.532 298 R N 2.205 122.748 120.500 0.072 0.000 2.161 298 R HA 0.115 4.455 4.340 -0.000 0.000 0.213 298 R C 1.654 177.998 176.300 0.073 0.000 1.055 298 R CA 1.490 57.627 56.100 0.062 0.000 0.996 298 R CB -0.658 29.675 30.300 0.054 0.000 0.901 298 R HN 0.637 nan 8.270 nan 0.000 0.456 299 T N -1.798 112.820 114.554 0.107 0.000 3.331 299 T HA 0.292 4.642 4.350 -0.000 0.000 0.282 299 T C 1.116 175.931 174.700 0.192 0.000 1.010 299 T CA -0.509 61.669 62.100 0.129 0.000 0.928 299 T CB -0.572 68.370 68.868 0.123 0.000 1.154 299 T HN 0.279 nan 8.240 nan 0.000 0.516 300 I N -2.737 117.914 120.570 0.135 0.000 3.927 300 I HA 0.650 4.820 4.170 -0.000 0.000 0.332 300 I C 1.182 177.384 176.117 0.142 0.000 1.485 300 I CA -0.649 60.707 61.300 0.092 0.000 1.131 300 I CB -0.303 37.700 38.000 0.006 0.000 1.092 300 I HN 0.243 nan 8.210 nan 0.000 0.410 301 G N 2.234 111.114 108.800 0.133 0.000 2.246 301 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 301 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 301 G C 0.566 175.542 174.900 0.127 0.000 1.055 301 G CA 0.553 45.733 45.100 0.132 0.000 0.851 301 G HN 0.498 nan 8.290 nan 0.000 0.500 302 L N -0.754 120.518 121.223 0.081 0.000 2.131 302 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 302 L C 2.798 179.619 176.870 -0.082 0.000 1.092 302 L CA 1.953 56.775 54.840 -0.030 0.000 0.759 302 L CB -0.361 41.681 42.059 -0.027 0.000 0.903 302 L HN 0.439 nan 8.230 nan 0.000 0.435 303 E N -0.279 119.901 120.200 -0.033 0.000 2.097 303 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 303 E C 2.013 178.583 176.600 -0.049 0.000 1.000 303 E CA 1.901 58.279 56.400 -0.037 0.000 0.804 303 E CB -0.927 28.766 29.700 -0.012 0.000 0.740 303 E HN 0.517 nan 8.360 nan 0.000 0.454 304 T N -1.695 112.839 114.554 -0.035 0.000 3.113 304 T HA -0.007 4.343 4.350 -0.000 0.000 0.263 304 T C 1.472 176.125 174.700 -0.077 0.000 1.143 304 T CA 0.887 62.971 62.100 -0.025 0.000 1.090 304 T CB -0.164 68.720 68.868 0.027 0.000 0.922 304 T HN 0.177 nan 8.240 nan 0.000 0.521 305 V N -3.892 115.910 119.914 -0.185 0.000 3.432 305 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 305 V C 1.618 177.559 176.094 -0.255 0.000 1.464 305 V CA -0.122 62.011 62.300 -0.277 0.000 1.046 305 V CB -0.529 30.913 31.823 -0.635 0.000 0.887 305 V HN 0.568 nan 8.190 nan 0.000 0.441 306 G N 0.986 109.670 108.800 -0.193 0.000 2.137 306 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.237 306 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.237 306 G C 0.033 174.823 174.900 -0.184 0.000 1.002 306 G CA 0.081 45.090 45.100 -0.151 0.000 0.702 306 G HN 0.780 nan 8.290 nan 0.000 0.515 307 V N 0.902 120.675 119.914 -0.234 0.000 2.508 307 V HA 0.264 4.384 4.120 -0.000 0.000 0.281 307 V C 0.965 176.978 176.094 -0.136 0.000 1.041 307 V CA 0.079 62.248 62.300 -0.218 0.000 1.016 307 V CB 1.230 32.894 31.823 -0.265 0.000 0.984 307 V HN 0.327 nan 8.190 nan 0.000 0.478 308 K N 5.793 126.123 120.400 -0.115 0.000 2.234 308 K HA 0.584 4.904 4.320 -0.000 0.000 0.282 308 K C -0.300 176.261 176.600 -0.065 0.000 1.039 308 K CA -0.241 55.998 56.287 -0.079 0.000 0.928 308 K CB 1.206 33.664 32.500 -0.071 0.000 1.039 308 K HN 0.740 nan 8.250 nan 0.000 0.470 309 I N -0.783 119.760 120.570 -0.045 0.000 2.846 309 I HA 0.365 4.535 4.170 -0.000 0.000 0.307 309 I C -0.286 175.817 176.117 -0.023 0.000 1.053 309 I CA -1.088 60.194 61.300 -0.031 0.000 1.050 309 I CB 1.779 39.769 38.000 -0.017 0.000 1.239 309 I HN 0.380 nan 8.210 nan 0.000 0.439 310 N N 3.660 122.349 118.700 -0.018 0.000 2.406 310 N HA -0.008 4.732 4.740 -0.000 0.000 0.265 310 N C 0.727 176.235 175.510 -0.004 0.000 1.203 310 N CA 0.292 53.335 53.050 -0.013 0.000 0.945 310 N CB 0.743 39.223 38.487 -0.011 0.000 1.165 310 N HN 0.660 nan 8.380 nan 0.000 0.485 311 E N 3.631 123.828 120.200 -0.005 0.000 2.058 311 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 311 E C 1.352 177.956 176.600 0.007 0.000 0.997 311 E CA 1.073 57.473 56.400 0.001 0.000 0.801 311 E CB 0.024 29.724 29.700 -0.001 0.000 0.746 311 E HN 0.658 nan 8.360 nan 0.000 0.450 312 K N 0.219 120.623 120.400 0.006 0.000 1.985 312 K HA -0.127 4.193 4.320 -0.000 0.000 0.210 312 K C 2.193 178.802 176.600 0.015 0.000 1.047 312 K CA 2.094 58.387 56.287 0.010 0.000 0.932 312 K CB -0.175 32.330 32.500 0.008 0.000 0.716 312 K HN 0.273 nan 8.250 nan 0.000 0.439 313 T N -3.602 110.960 114.554 0.013 0.000 3.043 313 T HA 0.130 4.480 4.350 -0.000 0.000 0.263 313 T C 1.429 176.143 174.700 0.024 0.000 1.094 313 T CA 1.042 63.153 62.100 0.019 0.000 1.127 313 T CB 0.179 69.056 68.868 0.015 0.000 0.905 313 T HN 0.465 nan 8.240 nan 0.000 0.490 314 G N 1.528 110.340 108.800 0.020 0.000 2.199 314 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 314 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 314 G C 0.153 175.066 174.900 0.022 0.000 0.982 314 G CA 0.177 45.291 45.100 0.025 0.000 0.632 314 G HN 0.635 nan 8.290 nan 0.000 0.529 315 K N 0.298 120.707 120.400 0.015 0.000 2.168 315 K HA 0.550 4.870 4.320 -0.000 0.000 0.258 315 K C 0.565 177.162 176.600 -0.004 0.000 1.010 315 K CA -0.355 55.938 56.287 0.010 0.000 0.929 315 K CB 1.106 33.609 32.500 0.004 0.000 0.998 315 K HN 0.325 nan 8.250 nan 0.000 0.479 316 I N 3.671 124.237 120.570 -0.008 0.000 2.312 316 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 316 I C -2.170 173.925 176.117 -0.036 0.000 1.008 316 I CA -2.446 58.840 61.300 -0.023 0.000 1.226 316 I CB 1.427 39.417 38.000 -0.018 0.000 1.371 316 I HN 0.156 nan 8.210 nan 0.000 0.468 317 P HA 0.168 nan 4.420 nan 0.000 0.268 317 P C -0.726 176.536 177.300 -0.063 0.000 1.205 317 P CA -0.081 62.986 63.100 -0.055 0.000 0.771 317 P CB 1.128 32.796 31.700 -0.053 0.000 0.858 318 V N 1.744 121.619 119.914 -0.064 0.000 2.969 318 V HA 0.337 4.457 4.120 -0.000 0.000 0.304 318 V C 0.170 176.235 176.094 -0.049 0.000 1.192 318 V CA -0.488 61.777 62.300 -0.058 0.000 0.962 318 V CB 2.393 34.193 31.823 -0.038 0.000 1.045 318 V HN 0.749 nan 8.190 nan 0.000 0.428 319 T N 0.608 115.139 114.554 -0.039 0.000 2.748 319 T HA 0.071 4.421 4.350 -0.000 0.000 0.304 319 T C 1.017 175.724 174.700 0.011 0.000 1.041 319 T CA 0.474 62.564 62.100 -0.017 0.000 1.033 319 T CB 0.449 69.311 68.868 -0.011 0.000 0.995 319 T HN 0.872 nan 8.240 nan 0.000 0.536 320 D N -0.587 119.826 120.400 0.022 0.000 2.403 320 D HA -0.108 4.532 4.640 -0.000 0.000 0.227 320 D C 0.949 177.307 176.300 0.096 0.000 0.995 320 D CA 0.718 54.752 54.000 0.056 0.000 0.928 320 D CB -0.253 40.578 40.800 0.052 0.000 0.887 320 D HN 0.858 nan 8.370 nan 0.000 0.529 321 E N -0.209 120.046 120.200 0.092 0.000 2.558 321 E HA 0.084 4.434 4.350 -0.000 0.000 0.205 321 E C -0.427 176.288 176.600 0.192 0.000 1.006 321 E CA -0.205 56.269 56.400 0.123 0.000 0.961 321 E CB 0.333 30.105 29.700 0.120 0.000 1.044 321 E HN 0.049 nan 8.360 nan 0.000 0.465 322 E N 0.540 120.837 120.200 0.162 0.000 3.070 322 E HA -0.229 4.121 4.350 -0.000 0.000 0.285 322 E C -0.206 176.530 176.600 0.226 0.000 0.972 322 E CA 0.595 57.109 56.400 0.191 0.000 0.915 322 E CB -1.181 28.647 29.700 0.214 0.000 1.466 322 E HN 0.263 nan 8.360 nan 0.000 0.432 323 Q N 0.863 120.702 119.800 0.065 0.000 2.267 323 Q HA 0.344 4.684 4.340 -0.000 0.000 0.255 323 Q C 0.537 176.391 176.000 -0.244 0.000 0.923 323 Q CA 0.255 55.866 55.803 -0.319 0.000 0.925 323 Q CB 0.849 29.403 28.738 -0.306 0.000 1.195 323 Q HN 0.302 nan 8.270 nan 0.000 0.417 324 T N 0.160 114.521 114.554 -0.322 0.000 2.729 324 T HA 0.047 4.396 4.350 -0.000 0.000 0.298 324 T C 1.308 175.871 174.700 -0.229 0.000 1.013 324 T CA -0.062 61.898 62.100 -0.233 0.000 0.957 324 T CB 0.320 69.039 68.868 -0.248 0.000 1.130 324 T HN 0.804 nan 8.240 nan 0.000 0.526 325 N N -0.195 118.395 118.700 -0.183 0.000 2.289 325 N HA -0.090 4.649 4.740 -0.000 0.000 0.184 325 N C 0.431 175.833 175.510 -0.181 0.000 1.016 325 N CA 0.552 53.510 53.050 -0.153 0.000 0.872 325 N CB -0.956 37.459 38.487 -0.120 0.000 0.973 325 N HN 0.420 nan 8.380 nan 0.000 0.433 326 V N 3.187 122.946 119.914 -0.259 0.000 2.405 326 V HA 0.122 4.242 4.120 -0.000 0.000 0.264 326 V C -1.281 174.599 176.094 -0.355 0.000 1.048 326 V CA -1.092 61.019 62.300 -0.315 0.000 0.966 326 V CB 1.150 32.677 31.823 -0.493 0.000 1.015 326 V HN 0.039 nan 8.190 nan 0.000 0.477 327 P HA -0.178 nan 4.420 nan 0.000 0.218 327 P C 0.966 178.204 177.300 -0.103 0.000 1.146 327 P CA 1.552 64.583 63.100 -0.116 0.000 0.813 327 P CB -0.033 31.693 31.700 0.043 0.000 0.778 328 Y N -2.819 117.422 120.300 -0.098 0.000 2.457 328 Y HA 0.463 5.013 4.550 -0.000 0.000 0.263 328 Y C 0.385 176.326 175.900 0.069 0.000 1.164 328 Y CA -0.847 57.277 58.100 0.041 0.000 1.274 328 Y CB -0.524 37.995 38.460 0.098 0.000 1.097 328 Y HN -0.209 nan 8.280 nan 0.000 0.523 329 I N 1.422 121.706 120.570 -0.477 0.000 2.406 329 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 329 I C -1.260 174.639 176.117 -0.363 0.000 0.999 329 I CA -0.913 60.205 61.300 -0.304 0.000 1.124 329 I CB 1.239 38.914 38.000 -0.543 0.000 1.289 329 I HN -0.035 nan 8.210 nan 0.000 0.441 330 Y N 4.080 124.384 120.300 0.007 0.000 2.549 330 Y HA 0.813 5.363 4.550 -0.000 0.000 0.339 330 Y C 0.247 176.165 175.900 0.030 0.000 1.053 330 Y CA -0.805 57.301 58.100 0.010 0.000 1.105 330 Y CB 2.087 40.562 38.460 0.025 0.000 1.258 330 Y HN 0.564 nan 8.280 nan 0.000 0.478 331 A N 2.306 125.232 122.820 0.177 0.000 2.475 331 A HA 0.859 5.179 4.320 -0.000 0.000 0.301 331 A C -1.848 175.807 177.584 0.119 0.000 1.059 331 A CA -0.595 51.514 52.037 0.119 0.000 0.710 331 A CB 1.345 20.380 19.000 0.058 0.000 1.288 331 A HN 0.497 nan 8.150 nan 0.000 0.408 332 I N 0.561 121.192 120.570 0.102 0.000 2.802 332 I HA 0.730 4.900 4.170 -0.000 0.000 0.298 332 I C 0.827 176.997 176.117 0.089 0.000 1.176 332 I CA 0.820 62.181 61.300 0.103 0.000 1.025 332 I CB 1.256 39.309 38.000 0.089 0.000 1.243 332 I HN 1.666 nan 8.210 nan 0.000 0.424 333 G N 5.689 114.552 108.800 0.105 0.000 2.512 333 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.240 333 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.240 333 G C 0.399 175.352 174.900 0.088 0.000 1.246 333 G CA 0.349 45.506 45.100 0.095 0.000 0.919 333 G HN 0.493 nan 8.290 nan 0.000 0.577 334 D N 0.583 121.034 120.400 0.084 0.000 2.221 334 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 334 D C 2.478 178.820 176.300 0.069 0.000 0.982 334 D CA 1.587 55.638 54.000 0.085 0.000 0.857 334 D CB -0.263 40.595 40.800 0.095 0.000 0.934 334 D HN 0.725 nan 8.370 nan 0.000 0.475 335 I N -2.070 118.537 120.570 0.062 0.000 3.176 335 I HA -0.006 4.164 4.170 -0.000 0.000 0.275 335 I C 0.352 176.487 176.117 0.029 0.000 1.298 335 I CA 0.097 61.426 61.300 0.049 0.000 1.445 335 I CB -0.320 37.710 38.000 0.050 0.000 1.075 335 I HN -0.181 nan 8.210 nan 0.000 0.482 336 L N 2.756 123.993 121.223 0.023 0.000 2.410 336 L HA 0.186 4.526 4.340 -0.000 0.000 0.273 336 L C 0.698 177.551 176.870 -0.030 0.000 1.152 336 L CA 0.206 55.040 54.840 -0.010 0.000 0.855 336 L CB 0.602 42.645 42.059 -0.026 0.000 1.129 336 L HN 0.304 nan 8.230 nan 0.000 0.463 337 E N 2.130 122.304 120.200 -0.043 0.000 2.360 337 E HA 0.124 4.474 4.350 -0.000 0.000 0.269 337 E C 1.010 177.563 176.600 -0.077 0.000 1.022 337 E CA 0.632 57.005 56.400 -0.046 0.000 0.887 337 E CB 0.666 30.341 29.700 -0.042 0.000 0.990 337 E HN 0.809 nan 8.360 nan 0.000 0.426 338 G N 3.540 112.302 108.800 -0.063 0.000 2.180 338 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.263 338 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.263 338 G C 0.339 175.168 174.900 -0.118 0.000 0.989 338 G CA 0.816 45.868 45.100 -0.079 0.000 0.692 338 G HN 0.445 nan 8.290 nan 0.000 0.526 339 K N -0.906 119.418 120.400 -0.127 0.000 2.617 339 K HA 0.829 5.149 4.320 -0.000 0.000 0.298 339 K C 0.783 177.366 176.600 -0.027 0.000 0.984 339 K CA -0.449 55.740 56.287 -0.163 0.000 1.299 339 K CB -0.047 32.307 32.500 -0.242 0.000 1.608 339 K HN 0.267 nan 8.250 nan 0.000 0.730 340 L N 0.780 122.036 121.223 0.054 0.000 2.354 340 L HA 0.366 4.706 4.340 -0.000 0.000 0.264 340 L C -0.368 176.559 176.870 0.094 0.000 1.008 340 L CA -0.484 54.400 54.840 0.074 0.000 0.819 340 L CB 2.053 44.169 42.059 0.095 0.000 1.339 340 L HN 0.407 nan 8.230 nan 0.000 0.420 341 E N 3.628 123.882 120.200 0.089 0.000 2.731 341 E HA 0.499 4.849 4.350 -0.000 0.000 0.220 341 E C -1.328 175.336 176.600 0.106 0.000 1.087 341 E CA -0.112 56.356 56.400 0.114 0.000 1.020 341 E CB 0.711 30.503 29.700 0.153 0.000 1.339 341 E HN 0.336 nan 8.360 nan 0.000 0.444 342 L N 0.604 121.877 121.223 0.083 0.000 2.431 342 L HA 0.274 4.614 4.340 -0.000 0.000 0.266 342 L C 1.258 178.161 176.870 0.055 0.000 0.978 342 L CA -0.556 54.318 54.840 0.056 0.000 0.822 342 L CB 2.127 44.200 42.059 0.024 0.000 1.310 342 L HN 0.191 nan 8.230 nan 0.000 0.409 343 T N 1.428 116.013 114.554 0.050 0.000 2.635 343 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 343 T C -1.089 173.625 174.700 0.023 0.000 1.040 343 T CA 1.887 64.010 62.100 0.038 0.000 1.156 343 T CB -0.654 68.235 68.868 0.034 0.000 0.863 343 T HN 0.491 nan 8.240 nan 0.000 0.430 344 P HA 0.058 nan 4.420 nan 0.000 0.223 344 P C 1.524 178.811 177.300 -0.022 0.000 1.151 344 P CA 0.385 63.483 63.100 -0.004 0.000 0.787 344 P CB -0.162 31.532 31.700 -0.010 0.000 0.788 345 V N 0.496 120.402 119.914 -0.013 0.000 2.270 345 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 345 V C 2.528 178.621 176.094 -0.001 0.000 1.043 345 V CA 2.237 64.517 62.300 -0.035 0.000 1.014 345 V CB -1.662 30.179 31.823 0.031 0.000 0.645 345 V HN 0.094 nan 8.190 nan 0.000 0.447 346 A N -0.046 122.800 122.820 0.043 0.000 1.917 346 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 346 A C 2.173 179.771 177.584 0.023 0.000 1.182 346 A CA 2.206 54.273 52.037 0.051 0.000 0.633 346 A CB -0.630 18.401 19.000 0.052 0.000 0.819 346 A HN 0.523 nan 8.150 nan 0.000 0.448 347 I N -1.010 119.565 120.570 0.008 0.000 2.226 347 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 347 I C 2.790 178.901 176.117 -0.010 0.000 1.100 347 I CA 1.868 63.169 61.300 0.002 0.000 1.374 347 I CB -0.311 37.692 38.000 0.004 0.000 1.057 347 I HN 0.483 nan 8.210 nan 0.000 0.413 348 Q N 1.227 121.006 119.800 -0.035 0.000 2.050 348 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 348 Q C 2.209 178.176 176.000 -0.055 0.000 0.980 348 Q CA 2.236 58.003 55.803 -0.060 0.000 0.840 348 Q CB -0.260 28.411 28.738 -0.111 0.000 0.898 348 Q HN 0.472 nan 8.270 nan 0.000 0.424 349 A N 0.131 122.921 122.820 -0.050 0.000 1.873 349 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 349 A C 2.348 179.940 177.584 0.013 0.000 1.193 349 A CA 1.903 53.939 52.037 -0.002 0.000 0.629 349 A CB -1.704 17.346 19.000 0.083 0.000 0.826 349 A HN 0.599 nan 8.150 nan 0.000 0.447 350 G N -0.881 107.930 108.800 0.018 0.000 2.440 350 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 350 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 350 G C 1.766 176.674 174.900 0.013 0.000 1.154 350 G CA 1.184 46.294 45.100 0.017 0.000 0.767 350 G HN 0.585 nan 8.290 nan 0.000 0.552 351 R N -0.089 120.419 120.500 0.013 0.000 2.062 351 R HA 0.093 4.433 4.340 -0.000 0.000 0.231 351 R C 2.596 178.910 176.300 0.023 0.000 1.136 351 R CA 1.088 57.204 56.100 0.027 0.000 0.948 351 R CB -0.406 29.905 30.300 0.018 0.000 0.845 351 R HN 0.382 nan 8.270 nan 0.000 0.430 352 L N 1.041 122.262 121.223 -0.003 0.000 2.201 352 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 352 L C 2.439 179.284 176.870 -0.041 0.000 1.105 352 L CA 0.322 55.153 54.840 -0.016 0.000 0.775 352 L CB -0.370 41.671 42.059 -0.030 0.000 0.913 352 L HN 0.288 nan 8.230 nan 0.000 0.440 353 L N 0.339 121.532 121.223 -0.051 0.000 2.027 353 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 353 L C 2.662 179.423 176.870 -0.181 0.000 1.074 353 L CA 2.042 56.806 54.840 -0.126 0.000 0.745 353 L CB -0.683 41.298 42.059 -0.130 0.000 0.898 353 L HN 0.122 nan 8.230 nan 0.000 0.433 354 A N -1.191 121.585 122.820 -0.075 0.000 1.933 354 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 354 A C 2.171 179.727 177.584 -0.048 0.000 1.175 354 A CA 1.582 53.622 52.037 0.004 0.000 0.628 354 A CB -0.545 18.568 19.000 0.188 0.000 0.814 354 A HN 0.609 nan 8.150 nan 0.000 0.444 355 Q N -0.285 119.509 119.800 -0.009 0.000 2.050 355 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 355 Q C 2.258 178.154 176.000 -0.173 0.000 0.980 355 Q CA 1.632 57.413 55.803 -0.036 0.000 0.840 355 Q CB -0.405 28.352 28.738 0.033 0.000 0.898 355 Q HN 0.710 nan 8.270 nan 0.000 0.424 356 R N 0.012 120.409 120.500 -0.170 0.000 2.081 356 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 356 R C 2.492 178.611 176.300 -0.302 0.000 1.131 356 R CA 0.951 56.938 56.100 -0.189 0.000 0.960 356 R CB -0.255 29.957 30.300 -0.146 0.000 0.856 356 R HN 0.205 nan 8.270 nan 0.000 0.436 357 L N -1.260 119.675 121.223 -0.481 0.000 2.072 357 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 357 L C 1.326 177.707 176.870 -0.815 0.000 1.079 357 L CA 1.282 55.663 54.840 -0.766 0.000 0.752 357 L CB -0.098 41.221 42.059 -1.233 0.000 0.906 357 L HN 0.241 nan 8.230 nan 0.000 0.436 358 Y N -2.061 117.985 120.300 -0.423 0.000 2.471 358 Y HA 0.301 4.851 4.550 -0.000 0.000 0.249 358 Y C 1.901 177.151 175.900 -1.083 0.000 1.116 358 Y CA 0.004 57.720 58.100 -0.640 0.000 1.240 358 Y CB 0.091 38.175 38.460 -0.627 0.000 1.251 358 Y HN -0.051 nan 8.280 nan 0.000 0.527 359 G N -0.856 107.442 108.800 -0.836 0.000 3.192 359 G HA2 0.365 4.325 3.960 -0.000 0.000 0.239 359 G HA3 0.365 4.325 3.960 -0.000 0.000 0.239 359 G C 1.262 176.052 174.900 -0.184 0.000 1.084 359 G CA 0.064 44.809 45.100 -0.592 0.000 0.784 359 G HN 0.414 nan 8.290 nan 0.000 0.540 360 G N 0.214 108.903 108.800 -0.184 0.000 2.283 360 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.280 360 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.280 360 G C 0.441 175.305 174.900 -0.060 0.000 1.029 360 G CA 0.726 45.769 45.100 -0.094 0.000 0.840 360 G HN 0.947 nan 8.290 nan 0.000 0.505 361 S N -1.225 114.433 115.700 -0.070 0.000 2.632 361 S HA 0.691 5.161 4.470 -0.000 0.000 0.271 361 S C 1.547 176.122 174.600 -0.041 0.000 1.260 361 S CA 0.784 58.961 58.200 -0.037 0.000 1.010 361 S CB 1.088 64.273 63.200 -0.025 0.000 0.965 361 S HN 1.069 nan 8.310 nan 0.000 0.534 362 T N -0.087 114.453 114.554 -0.024 0.000 3.040 362 T HA 0.257 4.607 4.350 -0.000 0.000 0.266 362 T C 0.010 174.703 174.700 -0.013 0.000 1.005 362 T CA -0.223 61.866 62.100 -0.019 0.000 0.906 362 T CB -0.265 68.597 68.868 -0.011 0.000 1.082 362 T HN 0.314 nan 8.240 nan 0.000 0.531 363 V N 2.702 122.607 119.914 -0.015 0.000 2.446 363 V HA 0.250 4.370 4.120 -0.000 0.000 0.276 363 V C 0.462 176.548 176.094 -0.014 0.000 1.030 363 V CA -0.336 61.956 62.300 -0.013 0.000 1.033 363 V CB -0.115 31.699 31.823 -0.015 0.000 0.993 363 V HN 0.377 nan 8.190 nan 0.000 0.477 364 K N 2.909 123.306 120.400 -0.004 0.000 2.098 364 K HA 0.417 4.737 4.320 -0.000 0.000 0.244 364 K C -0.089 176.501 176.600 -0.016 0.000 1.014 364 K CA -0.504 55.789 56.287 0.010 0.000 0.917 364 K CB 1.088 33.609 32.500 0.035 0.000 1.072 364 K HN 0.747 nan 8.250 nan 0.000 0.477 365 C N 1.929 121.217 119.300 -0.020 0.000 2.415 365 C HA 0.173 4.633 4.460 -0.000 0.000 0.369 365 C C -0.374 174.498 174.990 -0.197 0.000 1.279 365 C CA -0.492 58.428 59.018 -0.164 0.000 1.886 365 C CB -0.482 27.100 27.740 -0.263 0.000 2.468 365 C HN 0.637 nan 8.230 nan 0.000 0.553 366 D N 3.814 124.086 120.400 -0.213 0.000 2.347 366 D HA 0.212 4.852 4.640 -0.000 0.000 0.235 366 D C -0.126 176.068 176.300 -0.176 0.000 1.149 366 D CA -0.031 53.904 54.000 -0.108 0.000 0.850 366 D CB 0.392 41.155 40.800 -0.062 0.000 1.061 366 D HN 0.700 nan 8.370 nan 0.000 0.487 367 Y N 1.198 121.493 120.300 -0.010 0.000 2.457 367 Y HA 0.144 4.694 4.550 -0.000 0.000 0.263 367 Y C 0.273 176.163 175.900 -0.017 0.000 1.164 367 Y CA -0.457 57.636 58.100 -0.013 0.000 1.274 367 Y CB 0.454 38.908 38.460 -0.009 0.000 1.097 367 Y HN 0.210 nan 8.280 nan 0.000 0.523 368 D N 0.729 121.191 120.400 0.103 0.000 2.255 368 D HA 0.071 4.711 4.640 -0.000 0.000 0.249 368 D C 0.052 176.365 176.300 0.021 0.000 1.078 368 D CA 0.001 54.036 54.000 0.058 0.000 0.896 368 D CB 0.396 41.225 40.800 0.048 0.000 1.194 368 D HN 0.097 nan 8.370 nan 0.000 0.429 369 N N 0.368 119.077 118.700 0.015 0.000 2.714 369 N HA -0.157 4.583 4.740 -0.000 0.000 0.253 369 N C -0.889 174.602 175.510 -0.032 0.000 1.024 369 N CA 0.313 53.358 53.050 -0.008 0.000 0.726 369 N CB -1.152 37.328 38.487 -0.012 0.000 0.908 369 N HN 0.143 nan 8.380 nan 0.000 0.542 370 V N 1.864 121.763 119.914 -0.025 0.000 2.406 370 V HA 0.276 4.396 4.120 -0.000 0.000 0.272 370 V C -1.264 174.797 176.094 -0.054 0.000 1.043 370 V CA -1.094 61.182 62.300 -0.040 0.000 0.915 370 V CB 1.320 33.131 31.823 -0.019 0.000 0.988 370 V HN 0.145 nan 8.190 nan 0.000 0.466 371 P HA 0.292 nan 4.420 nan 0.000 0.271 371 P C -0.342 176.915 177.300 -0.072 0.000 1.218 371 P CA 0.081 63.133 63.100 -0.080 0.000 0.780 371 P CB 1.179 32.823 31.700 -0.093 0.000 0.901 372 T N -1.410 113.091 114.554 -0.088 0.000 2.865 372 T HA 0.671 5.021 4.350 -0.000 0.000 0.294 372 T C -0.984 173.616 174.700 -0.167 0.000 1.119 372 T CA -0.533 61.511 62.100 -0.093 0.000 1.007 372 T CB 1.473 70.311 68.868 -0.050 0.000 1.225 372 T HN 0.318 nan 8.240 nan 0.000 0.515 373 T N 1.288 115.702 114.554 -0.235 0.000 3.032 373 T HA 0.523 4.873 4.350 -0.000 0.000 0.312 373 T C -0.959 173.397 174.700 -0.573 0.000 1.078 373 T CA -0.579 61.252 62.100 -0.448 0.000 1.028 373 T CB 1.541 70.060 68.868 -0.582 0.000 1.091 373 T HN 0.715 nan 8.240 nan 0.000 0.457 374 V N 3.780 123.409 119.914 -0.476 0.000 2.383 374 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 374 V C -0.263 175.588 176.094 -0.406 0.000 1.036 374 V CA -0.536 61.579 62.300 -0.309 0.000 0.889 374 V CB 0.450 32.184 31.823 -0.147 0.000 0.985 374 V HN 0.900 nan 8.190 nan 0.000 0.459 375 F N 3.040 122.968 119.950 -0.038 0.000 2.913 375 F HA 0.166 4.693 4.527 -0.000 0.000 0.306 375 F C 1.598 177.247 175.800 -0.251 0.000 1.205 375 F CA -0.515 57.336 58.000 -0.248 0.000 1.359 375 F CB -0.476 38.274 39.000 -0.416 0.000 1.260 375 F HN 0.559 nan 8.300 nan 0.000 0.545 376 T N -2.296 112.278 114.554 0.033 0.000 2.748 376 T HA 0.070 4.420 4.350 -0.000 0.000 0.304 376 T C -1.491 173.319 174.700 0.182 0.000 1.041 376 T CA -1.444 60.723 62.100 0.113 0.000 1.033 376 T CB 0.748 69.680 68.868 0.107 0.000 0.995 376 T HN -0.038 nan 8.240 nan 0.000 0.536 377 P HA -0.064 nan 4.420 nan 0.000 0.215 377 P C 0.457 177.891 177.300 0.224 0.000 1.163 377 P CA 0.664 63.950 63.100 0.310 0.000 0.894 377 P CB -0.068 31.807 31.700 0.293 0.000 0.791 378 L N 0.447 121.676 121.223 0.011 0.000 2.261 378 L HA 0.173 4.513 4.340 -0.000 0.000 0.289 378 L C 0.158 177.073 176.870 0.075 0.000 1.059 378 L CA -0.374 54.413 54.840 -0.089 0.000 0.816 378 L CB -0.199 41.524 42.059 -0.560 0.000 1.191 378 L HN -0.088 nan 8.230 nan 0.000 0.431 379 E N 3.615 123.919 120.200 0.174 0.000 2.404 379 E HA 0.072 4.422 4.350 -0.000 0.000 0.261 379 E C -1.441 175.263 176.600 0.172 0.000 1.074 379 E CA 0.071 56.551 56.400 0.134 0.000 0.917 379 E CB 0.738 30.532 29.700 0.158 0.000 0.965 379 E HN 0.502 nan 8.360 nan 0.000 0.433 380 Y N 0.616 120.878 120.300 -0.064 0.000 2.326 380 Y HA 0.490 5.040 4.550 0.000 0.000 0.329 380 Y C -0.500 175.382 175.900 -0.029 0.000 0.973 380 Y CA -1.054 57.040 58.100 -0.010 0.000 1.162 380 Y CB 1.350 39.793 38.460 -0.028 0.000 1.147 380 Y HN 0.484 nan 8.280 nan 0.000 0.456 381 G N 4.037 112.742 108.800 -0.157 0.000 2.415 381 G HA2 0.620 4.580 3.960 -0.000 0.000 0.327 381 G HA3 0.620 4.580 3.960 -0.000 0.000 0.327 381 G C -1.093 173.636 174.900 -0.284 0.000 1.182 381 G CA -0.334 44.623 45.100 -0.238 0.000 0.924 381 G HN 1.154 nan 8.290 nan 0.000 0.470 382 C N -0.744 118.377 119.300 -0.297 0.000 3.332 382 C HA 0.897 5.357 4.460 -0.000 0.000 0.329 382 C C -0.733 174.196 174.990 -0.100 0.000 1.434 382 C CA -1.351 57.559 59.018 -0.179 0.000 1.314 382 C CB 1.343 28.906 27.740 -0.294 0.000 1.664 382 C HN 1.307 nan 8.230 nan 0.000 0.457 383 C N 1.340 120.579 119.300 -0.101 0.000 3.218 383 C HA 0.760 5.220 4.460 -0.000 0.000 0.420 383 C C 0.470 175.429 174.990 -0.051 0.000 0.987 383 C CA 1.879 60.853 59.018 -0.073 0.000 1.196 383 C CB 0.653 28.330 27.740 -0.105 0.000 1.576 383 C HN 3.194 nan 8.230 nan 0.000 0.594 384 G N 4.196 112.983 108.800 -0.021 0.000 2.527 384 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.227 384 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.227 384 G C -1.023 173.918 174.900 0.067 0.000 1.291 384 G CA -0.206 44.913 45.100 0.032 0.000 0.904 384 G HN 1.198 nan 8.290 nan 0.000 0.577 385 L N 1.232 122.536 121.223 0.135 0.000 2.357 385 L HA 0.553 4.893 4.340 -0.000 0.000 0.273 385 L C 1.590 178.636 176.870 0.293 0.000 1.080 385 L CA -0.114 54.828 54.840 0.171 0.000 0.803 385 L CB 1.551 43.718 42.059 0.179 0.000 1.174 385 L HN 1.012 nan 8.230 nan 0.000 0.443 386 S N 0.156 116.018 115.700 0.269 0.000 2.589 386 S HA 0.015 4.485 4.470 -0.000 0.000 0.265 386 S C 0.897 175.594 174.600 0.161 0.000 1.342 386 S CA -0.315 58.050 58.200 0.274 0.000 1.005 386 S CB 1.121 64.431 63.200 0.185 0.000 0.909 386 S HN 0.780 nan 8.310 nan 0.000 0.555 387 E N 1.169 121.401 120.200 0.054 0.000 2.038 387 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 387 E C 2.092 178.724 176.600 0.054 0.000 1.000 387 E CA 1.688 58.115 56.400 0.044 0.000 0.803 387 E CB -0.263 29.426 29.700 -0.018 0.000 0.750 387 E HN 0.859 nan 8.360 nan 0.000 0.448 388 E N 0.555 120.778 120.200 0.038 0.000 2.085 388 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 388 E C 1.886 178.510 176.600 0.041 0.000 0.994 388 E CA 1.043 57.463 56.400 0.034 0.000 0.801 388 E CB -0.280 29.436 29.700 0.026 0.000 0.743 388 E HN 0.091 nan 8.360 nan 0.000 0.453 389 K N 0.941 121.374 120.400 0.054 0.000 2.097 389 K HA 0.100 4.420 4.320 -0.000 0.000 0.205 389 K C 2.175 178.805 176.600 0.050 0.000 1.050 389 K CA 1.266 57.577 56.287 0.040 0.000 0.938 389 K CB -0.658 31.868 32.500 0.044 0.000 0.718 389 K HN 0.270 nan 8.250 nan 0.000 0.442 390 A N 0.745 123.636 122.820 0.117 0.000 1.930 390 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 390 A C 2.444 180.143 177.584 0.191 0.000 1.175 390 A CA 1.493 53.660 52.037 0.217 0.000 0.627 390 A CB -0.564 18.585 19.000 0.249 0.000 0.815 390 A HN 0.050 nan 8.150 nan 0.000 0.443 391 V N -0.142 119.838 119.914 0.110 0.000 2.358 391 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 391 V C 2.494 178.613 176.094 0.043 0.000 1.047 391 V CA 2.195 64.543 62.300 0.080 0.000 1.035 391 V CB -0.643 31.207 31.823 0.046 0.000 0.658 391 V HN 0.695 nan 8.190 nan 0.000 0.452 392 E N 0.176 120.383 120.200 0.012 0.000 2.051 392 E HA -0.293 4.057 4.350 -0.000 0.000 0.192 392 E C 2.316 178.871 176.600 -0.076 0.000 0.991 392 E CA 1.742 58.129 56.400 -0.023 0.000 0.799 392 E CB -0.037 29.648 29.700 -0.026 0.000 0.748 392 E HN 0.556 nan 8.360 nan 0.000 0.449 393 K N -0.802 119.508 120.400 -0.149 0.000 2.103 393 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 393 K C 1.333 177.648 176.600 -0.474 0.000 1.052 393 K CA 1.172 57.230 56.287 -0.382 0.000 0.945 393 K CB 0.051 32.189 32.500 -0.603 0.000 0.722 393 K HN 0.081 nan 8.250 nan 0.000 0.443 394 F N -0.042 119.918 119.950 0.017 0.000 2.706 394 F HA 0.327 4.854 4.527 -0.000 0.000 0.308 394 F C 0.359 176.166 175.800 0.012 0.000 1.095 394 F CA 0.051 58.061 58.000 0.016 0.000 1.244 394 F CB 1.590 40.603 39.000 0.021 0.000 1.063 394 F HN 0.146 nan 8.300 nan 0.000 0.582 395 G N 1.649 110.533 108.800 0.139 0.000 3.172 395 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 395 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 395 G C 0.452 175.402 174.900 0.084 0.000 1.009 395 G CA -0.209 44.944 45.100 0.088 0.000 0.787 395 G HN 0.151 nan 8.290 nan 0.000 0.559 396 E N 0.788 121.018 120.200 0.051 0.000 2.113 396 E HA -0.261 4.089 4.350 -0.000 0.000 0.210 396 E C 2.098 178.715 176.600 0.027 0.000 1.040 396 E CA 1.984 58.405 56.400 0.035 0.000 0.847 396 E CB 0.066 29.776 29.700 0.018 0.000 0.755 396 E HN 0.835 nan 8.360 nan 0.000 0.459 397 E N -0.125 120.089 120.200 0.025 0.000 2.502 397 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 397 E C 0.496 177.106 176.600 0.016 0.000 1.062 397 E CA 0.218 56.626 56.400 0.013 0.000 0.867 397 E CB -0.083 29.621 29.700 0.008 0.000 0.888 397 E HN 0.125 nan 8.360 nan 0.000 0.510 398 N N 0.548 119.269 118.700 0.036 0.000 2.280 398 N HA 0.119 4.859 4.740 -0.000 0.000 0.192 398 N C -0.259 175.260 175.510 0.015 0.000 1.109 398 N CA 0.008 53.077 53.050 0.031 0.000 0.855 398 N CB 0.613 39.138 38.487 0.064 0.000 0.974 398 N HN 0.170 nan 8.380 nan 0.000 0.482 399 I N 0.898 121.483 120.570 0.025 0.000 2.412 399 I HA 0.275 4.445 4.170 -0.000 0.000 0.296 399 I C 0.089 176.197 176.117 -0.015 0.000 0.987 399 I CA -0.925 60.386 61.300 0.019 0.000 1.180 399 I CB 1.606 39.639 38.000 0.054 0.000 1.340 399 I HN -0.111 nan 8.210 nan 0.000 0.455 400 E N 4.754 124.944 120.200 -0.017 0.000 2.199 400 E HA 0.546 4.896 4.350 -0.000 0.000 0.265 400 E C -1.507 175.049 176.600 -0.074 0.000 0.882 400 E CA -0.447 55.900 56.400 -0.088 0.000 0.759 400 E CB 1.694 31.351 29.700 -0.071 0.000 1.148 400 E HN 0.281 nan 8.360 nan 0.000 0.412 401 V N 5.634 125.435 119.914 -0.188 0.000 2.357 401 V HA 0.341 4.461 4.120 -0.000 0.000 0.284 401 V C -0.950 174.991 176.094 -0.254 0.000 1.018 401 V CA -0.688 61.527 62.300 -0.141 0.000 0.841 401 V CB 0.325 32.039 31.823 -0.180 0.000 0.991 401 V HN 0.616 nan 8.190 nan 0.000 0.437 402 Y N 4.851 125.111 120.300 -0.067 0.000 2.323 402 Y HA 0.660 5.210 4.550 -0.000 0.000 0.331 402 Y C 0.639 176.534 175.900 -0.009 0.000 1.092 402 Y CA -0.490 57.595 58.100 -0.025 0.000 1.150 402 Y CB 1.063 39.519 38.460 -0.006 0.000 1.200 402 Y HN 0.847 nan 8.280 nan 0.000 0.472 403 H N -1.130 117.909 119.070 -0.052 0.000 2.966 403 H HA 0.871 5.427 4.556 -0.000 0.000 0.330 403 H C -1.397 173.776 175.328 -0.260 0.000 1.292 403 H CA -1.276 54.611 56.048 -0.268 0.000 1.127 403 H CB 2.244 31.826 29.762 -0.300 0.000 1.863 403 H HN 0.518 nan 8.280 nan 0.000 0.543 404 S N 0.438 115.835 115.700 -0.504 0.000 2.580 404 S HA 0.332 4.802 4.470 -0.000 0.000 0.281 404 S C -1.828 172.580 174.600 -0.320 0.000 1.129 404 S CA -0.833 57.151 58.200 -0.361 0.000 0.862 404 S CB 0.754 63.851 63.200 -0.171 0.000 1.090 404 S HN 0.481 nan 8.310 nan 0.000 0.451 405 F N 3.328 123.296 119.950 0.031 0.000 2.380 405 F HA 0.713 5.240 4.527 -0.000 0.000 0.325 405 F C 0.385 176.297 175.800 0.187 0.000 1.136 405 F CA -0.116 57.945 58.000 0.101 0.000 1.171 405 F CB 0.935 39.956 39.000 0.035 0.000 1.230 405 F HN 0.613 nan 8.300 nan 0.000 0.554 406 F N -0.605 119.478 119.950 0.221 0.000 2.685 406 F HA 0.569 5.096 4.527 -0.000 0.000 0.315 406 F C -2.072 173.865 175.800 0.227 0.000 1.126 406 F CA -1.727 56.362 58.000 0.149 0.000 0.950 406 F CB 1.066 40.080 39.000 0.023 0.000 1.360 406 F HN 0.371 nan 8.300 nan 0.000 0.469 407 W N 3.899 125.243 121.300 0.074 0.000 2.543 407 W HA 0.660 5.320 4.660 -0.000 0.000 0.318 407 W C -2.983 173.495 176.519 -0.068 0.000 1.002 407 W CA -3.335 53.978 57.345 -0.053 0.000 1.302 407 W CB 1.212 30.701 29.460 0.048 0.000 1.299 407 W HN 0.341 nan 8.180 nan 0.000 0.424 408 P HA -0.113 nan 4.420 nan 0.000 0.261 408 P C 1.088 178.130 177.300 -0.430 0.000 1.183 408 P CA 0.080 62.917 63.100 -0.438 0.000 0.761 408 P CB 0.634 31.643 31.700 -1.153 0.000 0.785 409 L N 4.529 125.603 121.223 -0.248 0.000 2.051 409 L HA -0.251 4.089 4.340 -0.000 0.000 0.214 409 L C 1.641 178.416 176.870 -0.158 0.000 1.076 409 L CA 2.075 56.777 54.840 -0.229 0.000 0.758 409 L CB -0.935 41.045 42.059 -0.132 0.000 0.890 409 L HN 0.287 nan 8.230 nan 0.000 0.433 410 E N -1.386 118.782 120.200 -0.054 0.000 2.401 410 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 410 E C 1.403 178.258 176.600 0.426 0.000 1.023 410 E CA 1.075 57.595 56.400 0.200 0.000 0.859 410 E CB -0.302 29.524 29.700 0.210 0.000 0.780 410 E HN 0.613 nan 8.360 nan 0.000 0.523 411 W N -0.094 121.158 121.300 -0.079 0.000 3.278 411 W HA 0.176 4.836 4.660 -0.000 0.000 0.308 411 W C 1.776 178.188 176.519 -0.179 0.000 1.253 411 W CA 0.669 57.999 57.345 -0.026 0.000 1.759 411 W CB -0.858 28.669 29.460 0.111 0.000 1.093 411 W HN 0.120 nan 8.180 nan 0.000 0.648 412 T N -3.153 111.225 114.554 -0.292 0.000 2.812 412 T HA -0.108 4.242 4.350 -0.000 0.000 0.264 412 T C 1.842 176.460 174.700 -0.135 0.000 1.042 412 T CA 1.346 63.130 62.100 -0.527 0.000 1.140 412 T CB -0.715 67.713 68.868 -0.734 0.000 0.870 412 T HN -0.115 nan 8.240 nan 0.000 0.445 413 V N 2.843 122.667 119.914 -0.151 0.000 2.379 413 V HA 0.020 4.140 4.120 -0.000 0.000 0.245 413 V C -0.367 175.617 176.094 -0.183 0.000 1.044 413 V CA 1.361 63.497 62.300 -0.274 0.000 1.036 413 V CB -1.144 30.259 31.823 -0.699 0.000 0.664 413 V HN 0.396 nan 8.190 nan 0.000 0.453 414 P HA -0.053 nan 4.420 nan 0.000 0.222 414 P C 0.706 178.060 177.300 0.091 0.000 1.147 414 P CA 1.246 64.375 63.100 0.049 0.000 0.790 414 P CB -0.016 31.768 31.700 0.139 0.000 0.780 415 S N -0.869 114.925 115.700 0.157 0.000 3.968 415 S HA -0.145 4.325 4.470 -0.000 0.000 0.373 415 S C -0.029 174.747 174.600 0.294 0.000 0.974 415 S CA 0.330 58.684 58.200 0.255 0.000 1.124 415 S CB -1.723 61.565 63.200 0.147 0.000 0.862 415 S HN 0.490 nan 8.310 nan 0.000 0.492 416 R N 0.024 120.759 120.500 0.393 0.000 2.740 416 R HA 0.714 5.054 4.340 -0.000 0.000 0.273 416 R C -0.650 175.885 176.300 0.391 0.000 0.998 416 R CA -0.442 55.813 56.100 0.260 0.000 0.900 416 R CB 0.619 30.972 30.300 0.089 0.000 1.223 416 R HN 0.028 nan 8.270 nan 0.000 0.466 417 D N 0.304 120.822 120.400 0.196 0.000 2.746 417 D HA -0.171 4.469 4.640 -0.000 0.000 0.236 417 D C -0.762 175.634 176.300 0.160 0.000 1.129 417 D CA 0.911 55.035 54.000 0.206 0.000 0.691 417 D CB -0.686 40.210 40.800 0.161 0.000 1.077 417 D HN 0.644 nan 8.370 nan 0.000 0.432 418 N N 1.421 119.898 118.700 -0.372 0.000 2.479 418 N HA -0.007 4.733 4.740 -0.000 0.000 0.257 418 N C 0.647 175.860 175.510 -0.495 0.000 1.232 418 N CA 0.363 52.795 53.050 -1.030 0.000 0.920 418 N CB 0.295 37.908 38.487 -1.457 0.000 1.105 418 N HN 0.093 nan 8.380 nan 0.000 0.444 419 N N 0.790 119.228 118.700 -0.437 0.000 2.735 419 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 419 N C -0.161 175.076 175.510 -0.455 0.000 1.083 419 N CA 0.543 53.295 53.050 -0.496 0.000 0.703 419 N CB -0.316 37.767 38.487 -0.673 0.000 1.005 419 N HN 0.655 nan 8.380 nan 0.000 0.550 420 K N -0.772 119.570 120.400 -0.097 0.000 2.306 420 K HA 0.196 4.516 4.320 -0.000 0.000 0.200 420 K C 0.889 177.586 176.600 0.161 0.000 1.083 420 K CA 0.313 56.648 56.287 0.078 0.000 0.959 420 K CB 0.008 32.657 32.500 0.249 0.000 0.994 420 K HN 0.206 nan 8.250 nan 0.000 0.492 421 C N 2.257 121.547 119.300 -0.017 0.000 2.662 421 C HA 0.277 4.737 4.460 -0.000 0.000 0.420 421 C C 0.149 175.028 174.990 -0.185 0.000 1.314 421 C CA -0.286 58.523 59.018 -0.348 0.000 1.963 421 C CB -1.243 25.739 27.740 -1.262 0.000 2.686 421 C HN 0.413 nan 8.230 nan 0.000 0.609 422 Y N 1.010 121.251 120.300 -0.098 0.000 2.519 422 Y HA 0.605 5.155 4.550 -0.000 0.000 0.336 422 Y C -0.620 175.374 175.900 0.156 0.000 1.089 422 Y CA -0.475 57.636 58.100 0.018 0.000 1.025 422 Y CB 1.016 39.405 38.460 -0.118 0.000 1.318 422 Y HN 0.831 nan 8.280 nan 0.000 0.452 423 A N 5.348 127.841 122.820 -0.545 0.000 2.393 423 A HA 0.820 5.140 4.320 -0.000 0.000 0.306 423 A C -1.736 175.373 177.584 -0.792 0.000 1.050 423 A CA -0.862 50.814 52.037 -0.602 0.000 0.724 423 A CB 1.313 19.715 19.000 -0.995 0.000 1.248 423 A HN 0.720 nan 8.150 nan 0.000 0.424 424 K N 0.065 120.241 120.400 -0.373 0.000 2.498 424 K HA 0.770 5.090 4.320 -0.000 0.000 0.254 424 K C -0.979 175.658 176.600 0.062 0.000 0.933 424 K CA -0.780 55.413 56.287 -0.155 0.000 0.806 424 K CB 2.135 34.580 32.500 -0.093 0.000 1.301 424 K HN 0.998 nan 8.250 nan 0.000 0.432 425 V N -0.270 119.712 119.914 0.113 0.000 2.628 425 V HA 0.659 4.779 4.120 -0.000 0.000 0.306 425 V C -0.587 175.619 176.094 0.186 0.000 1.045 425 V CA -0.906 61.488 62.300 0.157 0.000 0.905 425 V CB 1.210 33.123 31.823 0.150 0.000 0.997 425 V HN 0.831 nan 8.190 nan 0.000 0.436 426 I N 3.605 124.287 120.570 0.186 0.000 2.339 426 I HA 0.529 4.699 4.170 -0.000 0.000 0.290 426 I C -0.401 175.792 176.117 0.127 0.000 0.994 426 I CA -0.034 61.361 61.300 0.159 0.000 1.191 426 I CB 1.350 39.458 38.000 0.180 0.000 1.343 426 I HN 0.682 nan 8.210 nan 0.000 0.458 427 C N 4.669 124.039 119.300 0.118 0.000 2.456 427 C HA 0.321 4.781 4.460 -0.000 0.000 0.325 427 C C 0.383 175.360 174.990 -0.021 0.000 1.217 427 C CA -0.921 58.136 59.018 0.066 0.000 1.687 427 C CB 1.064 28.892 27.740 0.147 0.000 2.270 427 C HN 0.742 nan 8.230 nan 0.000 0.499 428 N N 2.140 120.762 118.700 -0.130 0.000 2.437 428 N HA 0.247 4.987 4.740 -0.000 0.000 0.243 428 N C 0.733 176.154 175.510 -0.148 0.000 1.041 428 N CA -0.499 52.392 53.050 -0.264 0.000 0.940 428 N CB 0.540 38.668 38.487 -0.598 0.000 1.133 428 N HN 0.671 nan 8.380 nan 0.000 0.506 429 L N 3.089 124.261 121.223 -0.084 0.000 2.275 429 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 429 L C 2.005 178.850 176.870 -0.042 0.000 1.119 429 L CA 0.728 55.546 54.840 -0.036 0.000 0.790 429 L CB -0.133 41.919 42.059 -0.012 0.000 0.919 429 L HN 0.530 nan 8.230 nan 0.000 0.443 430 K N -0.571 119.788 120.400 -0.068 0.000 2.487 430 K HA -0.029 4.291 4.320 -0.000 0.000 0.192 430 K C 0.191 176.758 176.600 -0.054 0.000 1.027 430 K CA 0.577 56.838 56.287 -0.044 0.000 1.054 430 K CB 0.011 32.499 32.500 -0.021 0.000 0.824 430 K HN 0.118 nan 8.250 nan 0.000 0.510 431 D N 0.549 120.897 120.400 -0.085 0.000 2.908 431 D HA 0.090 4.730 4.640 -0.000 0.000 0.361 431 D C -0.736 175.530 176.300 -0.056 0.000 1.416 431 D CA -0.176 53.779 54.000 -0.076 0.000 0.796 431 D CB -0.314 40.411 40.800 -0.125 0.000 1.185 431 D HN -0.041 nan 8.370 nan 0.000 0.451 432 N N 1.650 120.328 118.700 -0.036 0.000 2.747 432 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 432 N C -0.751 174.746 175.510 -0.022 0.000 1.107 432 N CA 1.120 54.156 53.050 -0.022 0.000 0.707 432 N CB -1.168 37.308 38.487 -0.019 0.000 1.054 432 N HN 0.610 nan 8.380 nan 0.000 0.555 433 E N -1.846 118.339 120.200 -0.026 0.000 2.297 433 E HA -0.282 4.068 4.350 -0.000 0.000 0.228 433 E C 0.152 176.735 176.600 -0.028 0.000 1.213 433 E CA 0.612 57.005 56.400 -0.013 0.000 0.712 433 E CB -0.733 28.984 29.700 0.029 0.000 1.202 433 E HN 0.389 nan 8.360 nan 0.000 0.376 434 R N 0.442 120.906 120.500 -0.060 0.000 2.538 434 R HA 0.066 4.406 4.340 -0.000 0.000 0.282 434 R C -0.386 175.894 176.300 -0.034 0.000 1.009 434 R CA 0.203 56.271 56.100 -0.053 0.000 1.063 434 R CB 0.640 30.890 30.300 -0.082 0.000 0.945 434 R HN 0.065 nan 8.270 nan 0.000 0.414 435 V N 7.264 127.180 119.914 0.002 0.000 2.415 435 V HA 0.027 4.147 4.120 -0.000 0.000 0.267 435 V C 1.046 177.168 176.094 0.047 0.000 1.042 435 V CA 0.253 62.577 62.300 0.041 0.000 1.000 435 V CB 0.899 32.762 31.823 0.067 0.000 1.015 435 V HN 0.808 nan 8.190 nan 0.000 0.478 436 V N 1.987 121.940 119.914 0.064 0.000 3.578 436 V HA 0.670 4.790 4.120 -0.000 0.000 0.290 436 V C 0.716 176.894 176.094 0.139 0.000 1.376 436 V CA 0.619 62.977 62.300 0.097 0.000 1.083 436 V CB 0.188 32.081 31.823 0.116 0.000 0.911 436 V HN 0.806 nan 8.190 nan 0.000 0.433 437 G N -0.158 108.734 108.800 0.153 0.000 2.759 437 G HA2 0.604 4.564 3.960 -0.000 0.000 0.297 437 G HA3 0.604 4.564 3.960 -0.000 0.000 0.297 437 G C -2.032 172.982 174.900 0.190 0.000 1.434 437 G CA -0.587 44.619 45.100 0.178 0.000 0.980 437 G HN 0.273 nan 8.290 nan 0.000 0.531 438 F N 1.807 121.643 119.950 -0.189 0.000 2.557 438 F HA 0.728 5.255 4.527 0.000 0.000 0.316 438 F C -1.278 174.279 175.800 -0.406 0.000 1.141 438 F CA -0.711 57.158 58.000 -0.218 0.000 0.922 438 F CB 1.902 40.721 39.000 -0.301 0.000 1.194 438 F HN 0.559 nan 8.300 nan 0.000 0.443 439 H N 4.137 122.969 119.070 -0.397 0.000 2.759 439 H HA 0.690 5.246 4.556 -0.000 0.000 0.354 439 H C -1.461 173.851 175.328 -0.027 0.000 1.074 439 H CA -0.918 55.120 56.048 -0.016 0.000 1.226 439 H CB 2.249 32.157 29.762 0.243 0.000 1.648 439 H HN 0.559 nan 8.280 nan 0.000 0.529 440 V N 4.233 124.318 119.914 0.287 0.000 2.686 440 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 440 V C -1.656 174.720 176.094 0.472 0.000 1.065 440 V CA -0.761 61.753 62.300 0.358 0.000 0.894 440 V CB 1.841 33.894 31.823 0.384 0.000 1.004 440 V HN 0.594 nan 8.190 nan 0.000 0.424 441 L N 6.925 128.403 121.223 0.425 0.000 2.318 441 L HA 1.014 5.354 4.340 -0.000 0.000 0.277 441 L C 0.145 177.184 176.870 0.281 0.000 1.008 441 L CA 1.019 56.061 54.840 0.336 0.000 0.846 441 L CB 0.887 43.096 42.059 0.250 0.000 1.220 441 L HN 1.002 nan 8.230 nan 0.000 0.423 442 G N 4.131 113.102 108.800 0.285 0.000 2.342 442 G HA2 0.382 4.342 3.960 -0.000 0.000 0.297 442 G HA3 0.382 4.342 3.960 -0.000 0.000 0.297 442 G C -3.366 171.700 174.900 0.277 0.000 1.313 442 G CA -0.717 44.535 45.100 0.253 0.000 0.830 442 G HN 0.269 nan 8.290 nan 0.000 0.506 443 P HA 0.164 nan 4.420 nan 0.000 0.271 443 P C -0.289 177.161 177.300 0.250 0.000 1.218 443 P CA 0.063 63.341 63.100 0.297 0.000 0.780 443 P CB 0.418 32.289 31.700 0.285 0.000 0.901 444 N N 0.159 119.013 118.700 0.258 0.000 2.727 444 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 444 N C 1.102 176.741 175.510 0.215 0.000 1.048 444 N CA 0.978 54.166 53.050 0.229 0.000 0.714 444 N CB -1.791 36.801 38.487 0.175 0.000 0.959 444 N HN 0.600 nan 8.380 nan 0.000 0.544 445 A N 0.121 123.068 122.820 0.212 0.000 1.940 445 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 445 A C 2.302 179.967 177.584 0.136 0.000 1.176 445 A CA 2.186 54.334 52.037 0.186 0.000 0.631 445 A CB -0.775 18.307 19.000 0.138 0.000 0.814 445 A HN 0.551 nan 8.150 nan 0.000 0.446 446 G N -0.293 108.570 108.800 0.105 0.000 2.421 446 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 446 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 446 G C 1.341 176.305 174.900 0.108 0.000 1.171 446 G CA 0.931 46.087 45.100 0.092 0.000 0.775 446 G HN 0.517 nan 8.290 nan 0.000 0.543 447 E N 0.601 120.881 120.200 0.133 0.000 2.085 447 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 447 E C 2.836 179.497 176.600 0.101 0.000 0.994 447 E CA 1.040 57.500 56.400 0.100 0.000 0.801 447 E CB -0.687 29.073 29.700 0.101 0.000 0.743 447 E HN 0.355 nan 8.360 nan 0.000 0.453 448 V N 1.410 121.421 119.914 0.162 0.000 2.307 448 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 448 V C 2.405 178.642 176.094 0.239 0.000 1.045 448 V CA 2.183 64.630 62.300 0.244 0.000 1.024 448 V CB -0.949 31.075 31.823 0.334 0.000 0.651 448 V HN 0.265 nan 8.190 nan 0.000 0.449 449 T N -0.761 113.892 114.554 0.165 0.000 2.821 449 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 449 T C 1.911 176.534 174.700 -0.128 0.000 1.046 449 T CA 1.639 63.751 62.100 0.021 0.000 1.139 449 T CB -0.242 68.663 68.868 0.060 0.000 0.871 449 T HN 0.425 nan 8.240 nan 0.000 0.454 450 Q N 1.398 121.157 119.800 -0.068 0.000 2.062 450 Q HA -0.101 4.239 4.340 -0.000 0.000 0.209 450 Q C 2.433 178.330 176.000 -0.171 0.000 0.996 450 Q CA 2.362 58.105 55.803 -0.101 0.000 0.859 450 Q CB -1.132 27.571 28.738 -0.058 0.000 0.920 450 Q HN 0.505 nan 8.270 nan 0.000 0.415 451 G N -1.215 107.462 108.800 -0.205 0.000 2.440 451 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 451 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 451 G C 1.088 175.706 174.900 -0.470 0.000 1.154 451 G CA 0.869 45.768 45.100 -0.335 0.000 0.767 451 G HN 0.410 nan 8.290 nan 0.000 0.552 452 F N 1.586 121.254 119.950 -0.469 0.000 2.259 452 F HA 0.165 4.692 4.527 -0.000 0.000 0.298 452 F C 2.961 178.423 175.800 -0.564 0.000 1.088 452 F CA 0.652 58.248 58.000 -0.674 0.000 1.358 452 F CB -0.201 37.933 39.000 -1.443 0.000 1.040 452 F HN 0.229 nan 8.300 nan 0.000 0.505 453 A N 0.178 122.801 122.820 -0.327 0.000 1.940 453 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 453 A C 2.439 179.919 177.584 -0.173 0.000 1.176 453 A CA 1.760 53.662 52.037 -0.226 0.000 0.631 453 A CB -1.232 17.661 19.000 -0.179 0.000 0.814 453 A HN 0.304 nan 8.150 nan 0.000 0.446 454 A N -0.131 122.577 122.820 -0.186 0.000 1.902 454 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 454 A C 2.507 180.005 177.584 -0.144 0.000 1.181 454 A CA 2.136 54.080 52.037 -0.155 0.000 0.623 454 A CB -1.015 17.887 19.000 -0.164 0.000 0.818 454 A HN 1.084 nan 8.150 nan 0.000 0.443 455 A N -0.834 121.879 122.820 -0.178 0.000 1.933 455 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 455 A C 2.035 179.569 177.584 -0.084 0.000 1.175 455 A CA 1.598 53.555 52.037 -0.133 0.000 0.628 455 A CB -0.525 18.386 19.000 -0.148 0.000 0.814 455 A HN 0.399 nan 8.150 nan 0.000 0.444 456 L N -0.039 121.130 121.223 -0.089 0.000 2.042 456 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 456 L C 2.362 179.204 176.870 -0.045 0.000 1.076 456 L CA 1.725 56.532 54.840 -0.055 0.000 0.749 456 L CB -0.403 41.621 42.059 -0.059 0.000 0.893 456 L HN 0.208 nan 8.230 nan 0.000 0.432 457 K N -0.790 119.574 120.400 -0.060 0.000 2.218 457 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 457 K C 1.614 178.190 176.600 -0.041 0.000 1.046 457 K CA 1.377 57.635 56.287 -0.048 0.000 0.933 457 K CB -0.626 31.839 32.500 -0.059 0.000 0.728 457 K HN 0.435 nan 8.250 nan 0.000 0.454 458 C N 0.322 119.593 119.300 -0.048 0.000 2.614 458 C HA 0.316 4.776 4.460 -0.000 0.000 0.299 458 C C 1.137 176.109 174.990 -0.029 0.000 1.293 458 C CA -0.387 58.607 59.018 -0.040 0.000 1.713 458 C CB -0.973 26.738 27.740 -0.049 0.000 1.890 458 C HN 0.579 nan 8.230 nan 0.000 0.602 459 G N 1.573 110.359 108.800 -0.023 0.000 2.272 459 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 459 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 459 G C -0.041 174.849 174.900 -0.016 0.000 1.067 459 G CA 0.221 45.311 45.100 -0.015 0.000 0.902 459 G HN 0.683 nan 8.290 nan 0.000 0.500 460 L N 1.897 123.110 121.223 -0.016 0.000 2.640 460 L HA 0.446 4.786 4.340 -0.000 0.000 0.280 460 L C 1.198 178.066 176.870 -0.003 0.000 1.229 460 L CA 1.154 55.990 54.840 -0.007 0.000 0.919 460 L CB 0.183 42.248 42.059 0.010 0.000 1.168 460 L HN 0.639 nan 8.230 nan 0.000 0.496 461 T N 1.234 115.783 114.554 -0.008 0.000 2.934 461 T HA 0.326 4.676 4.350 -0.000 0.000 0.283 461 T C 0.913 175.601 174.700 -0.021 0.000 1.005 461 T CA -0.410 61.681 62.100 -0.015 0.000 1.041 461 T CB 1.472 70.329 68.868 -0.019 0.000 1.042 461 T HN 0.649 nan 8.240 nan 0.000 0.505 462 K N 0.747 121.121 120.400 -0.043 0.000 2.152 462 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 462 K C 2.364 178.908 176.600 -0.092 0.000 1.048 462 K CA 2.193 58.419 56.287 -0.102 0.000 0.933 462 K CB -0.434 31.965 32.500 -0.168 0.000 0.721 462 K HN 0.851 nan 8.250 nan 0.000 0.447 463 Q N -0.385 119.383 119.800 -0.054 0.000 2.187 463 Q HA -0.142 4.198 4.340 -0.000 0.000 0.199 463 Q C 1.856 177.840 176.000 -0.026 0.000 0.957 463 Q CA 1.005 56.785 55.803 -0.040 0.000 0.857 463 Q CB -0.204 28.520 28.738 -0.024 0.000 0.929 463 Q HN 0.427 nan 8.270 nan 0.000 0.453 464 Q N 0.434 120.223 119.800 -0.019 0.000 2.084 464 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 464 Q C 2.134 178.136 176.000 0.003 0.000 0.978 464 Q CA 1.326 57.123 55.803 -0.010 0.000 0.844 464 Q CB -0.102 28.629 28.738 -0.011 0.000 0.898 464 Q HN 0.325 nan 8.270 nan 0.000 0.426 465 L N 1.401 122.631 121.223 0.012 0.000 2.042 465 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 465 L C 1.308 178.198 176.870 0.035 0.000 1.076 465 L CA 1.927 56.798 54.840 0.052 0.000 0.749 465 L CB -0.414 41.677 42.059 0.054 0.000 0.893 465 L HN 0.109 nan 8.230 nan 0.000 0.432 466 D N -1.373 119.019 120.400 -0.013 0.000 2.312 466 D HA -0.069 4.571 4.640 -0.000 0.000 0.211 466 D C 2.270 178.566 176.300 -0.005 0.000 0.964 466 D CA 1.171 55.159 54.000 -0.020 0.000 0.877 466 D CB 0.087 40.857 40.800 -0.050 0.000 0.924 466 D HN 0.565 nan 8.370 nan 0.000 0.515 467 S N -0.969 114.729 115.700 -0.003 0.000 2.524 467 S HA 0.022 4.492 4.470 -0.000 0.000 0.216 467 S C 0.989 175.590 174.600 0.002 0.000 0.987 467 S CA -0.190 58.008 58.200 -0.003 0.000 0.909 467 S CB -0.072 63.124 63.200 -0.008 0.000 0.781 467 S HN -0.106 nan 8.310 nan 0.000 0.521 468 T N 4.722 119.284 114.554 0.012 0.000 2.870 468 T HA 0.342 4.692 4.350 -0.000 0.000 0.300 468 T C 0.088 174.802 174.700 0.024 0.000 0.989 468 T CA -0.284 61.825 62.100 0.015 0.000 1.139 468 T CB 0.309 69.195 68.868 0.030 0.000 0.920 468 T HN 0.183 nan 8.240 nan 0.000 0.537 469 I N 3.045 123.623 120.570 0.014 0.000 2.474 469 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 469 I C 1.368 177.504 176.117 0.031 0.000 1.048 469 I CA -0.395 60.915 61.300 0.016 0.000 1.383 469 I CB 0.368 38.372 38.000 0.007 0.000 1.412 469 I HN 0.683 nan 8.210 nan 0.000 0.531 470 G N 6.269 115.092 108.800 0.039 0.000 2.606 470 G HA2 0.462 4.422 3.960 -0.000 0.000 0.252 470 G HA3 0.462 4.422 3.960 -0.000 0.000 0.252 470 G C -0.188 174.749 174.900 0.061 0.000 1.206 470 G CA -0.536 44.600 45.100 0.060 0.000 0.861 470 G HN 0.533 nan 8.290 nan 0.000 0.561 471 I N 0.140 120.756 120.570 0.076 0.000 2.353 471 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 471 I C -0.209 175.988 176.117 0.133 0.000 0.992 471 I CA -0.667 60.680 61.300 0.079 0.000 1.268 471 I CB 1.679 39.708 38.000 0.049 0.000 1.387 471 I HN 0.484 nan 8.210 nan 0.000 0.478 472 H N 6.924 125.998 119.070 0.006 0.000 2.495 472 H HA 0.600 5.156 4.556 -0.000 0.000 0.348 472 H C -2.525 172.806 175.328 0.004 0.000 1.113 472 H CA -2.014 54.036 56.048 0.005 0.000 1.195 472 H CB 1.672 31.437 29.762 0.005 0.000 1.521 472 H HN 0.295 nan 8.280 nan 0.000 0.509 473 P HA 0.382 nan 4.420 nan 0.000 0.300 473 P C -1.476 175.747 177.300 -0.127 0.000 1.375 473 P CA -0.591 62.234 63.100 -0.458 0.000 0.864 473 P CB 1.379 32.671 31.700 -0.679 0.000 0.958 474 V N 2.852 122.758 119.914 -0.013 0.000 2.808 474 V HA 0.055 4.175 4.120 -0.000 0.000 0.308 474 V C 1.224 177.319 176.094 0.002 0.000 1.099 474 V CA -0.515 61.786 62.300 0.003 0.000 0.920 474 V CB 1.871 33.711 31.823 0.027 0.000 1.014 474 V HN 0.670 nan 8.190 nan 0.000 0.425 475 C N 2.802 122.097 119.300 -0.009 0.000 2.398 475 C HA -0.192 4.268 4.460 -0.000 0.000 0.276 475 C C 2.808 177.665 174.990 -0.222 0.000 1.222 475 C CA 1.637 60.593 59.018 -0.103 0.000 1.746 475 C CB -1.083 26.682 27.740 0.042 0.000 2.039 475 C HN 1.048 nan 8.230 nan 0.000 0.470 476 A N 1.333 124.155 122.820 0.002 0.000 2.032 476 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 476 A C 2.103 179.791 177.584 0.173 0.000 1.165 476 A CA 1.979 54.123 52.037 0.179 0.000 0.645 476 A CB -0.774 18.404 19.000 0.296 0.000 0.807 476 A HN 0.867 nan 8.150 nan 0.000 0.453 477 E N -0.336 119.901 120.200 0.061 0.000 2.267 477 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 477 E C 1.663 178.247 176.600 -0.026 0.000 0.998 477 E CA 1.266 57.705 56.400 0.064 0.000 0.830 477 E CB -0.528 29.213 29.700 0.068 0.000 0.751 477 E HN 0.446 nan 8.360 nan 0.000 0.491 478 I N 0.912 121.347 120.570 -0.225 0.000 2.300 478 I HA -0.259 3.911 4.170 -0.000 0.000 0.252 478 I C 1.523 177.423 176.117 -0.361 0.000 1.119 478 I CA 1.209 62.274 61.300 -0.393 0.000 1.384 478 I CB -0.385 37.128 38.000 -0.811 0.000 1.062 478 I HN 0.087 nan 8.210 nan 0.000 0.426 479 F N 0.186 120.028 119.950 -0.180 0.000 2.558 479 F HA -0.076 4.451 4.527 0.000 0.000 0.298 479 F C 2.503 178.269 175.800 -0.057 0.000 1.119 479 F CA 1.375 59.269 58.000 -0.176 0.000 1.451 479 F CB -1.023 37.786 39.000 -0.319 0.000 1.091 479 F HN 0.214 nan 8.300 nan 0.000 0.563 480 T N -4.225 110.421 114.554 0.154 0.000 3.113 480 T HA -0.022 4.328 4.350 -0.000 0.000 0.256 480 T C 1.204 175.918 174.700 0.023 0.000 1.131 480 T CA 1.088 63.253 62.100 0.107 0.000 1.074 480 T CB -0.631 68.297 68.868 0.100 0.000 0.944 480 T HN 0.229 nan 8.240 nan 0.000 0.516 481 T N -0.225 114.318 114.554 -0.018 0.000 3.393 481 T HA 0.459 4.809 4.350 -0.000 0.000 0.298 481 T C 0.064 174.740 174.700 -0.040 0.000 1.004 481 T CA -0.666 61.415 62.100 -0.032 0.000 0.956 481 T CB -0.658 68.191 68.868 -0.031 0.000 1.182 481 T HN 0.306 nan 8.240 nan 0.000 0.497 482 L N 2.938 124.127 121.223 -0.056 0.000 2.385 482 L HA 0.370 4.710 4.340 -0.000 0.000 0.281 482 L C 1.261 178.190 176.870 0.098 0.000 1.106 482 L CA -0.291 54.544 54.840 -0.010 0.000 0.856 482 L CB 0.635 42.682 42.059 -0.019 0.000 1.186 482 L HN 0.502 nan 8.230 nan 0.000 0.453 483 S N 0.994 116.785 115.700 0.150 0.000 2.632 483 S HA 0.176 4.646 4.470 -0.000 0.000 0.237 483 S C 0.198 174.929 174.600 0.219 0.000 1.037 483 S CA -0.413 57.911 58.200 0.207 0.000 1.009 483 S CB 0.537 63.797 63.200 0.101 0.000 0.974 483 S HN 0.224 nan 8.310 nan 0.000 0.544 484 V N 4.081 124.101 119.914 0.177 0.000 2.350 484 V HA 0.518 4.638 4.120 -0.000 0.000 0.276 484 V C 0.550 176.699 176.094 0.091 0.000 1.028 484 V CA -0.333 62.035 62.300 0.113 0.000 0.860 484 V CB 0.892 32.770 31.823 0.092 0.000 0.990 484 V HN 0.612 nan 8.190 nan 0.000 0.453 485 T N 1.412 115.915 114.554 -0.085 0.000 2.913 485 T HA 0.342 4.692 4.350 -0.000 0.000 0.287 485 T C 0.955 175.559 174.700 -0.159 0.000 1.008 485 T CA -0.589 61.347 62.100 -0.274 0.000 1.067 485 T CB 1.602 70.203 68.868 -0.444 0.000 0.996 485 T HN 0.522 nan 8.240 nan 0.000 0.513 486 K N 0.312 120.508 120.400 -0.339 0.000 2.057 486 K HA -0.081 4.238 4.320 -0.000 0.000 0.207 486 K C 2.567 179.088 176.600 -0.132 0.000 1.049 486 K CA 1.103 57.215 56.287 -0.291 0.000 0.931 486 K CB -0.123 32.137 32.500 -0.399 0.000 0.714 486 K HN 0.681 nan 8.250 nan 0.000 0.440 487 R N 0.411 120.823 120.500 -0.148 0.000 2.091 487 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 487 R C 2.167 178.429 176.300 -0.064 0.000 1.136 487 R CA 2.127 58.170 56.100 -0.096 0.000 0.959 487 R CB -0.351 29.885 30.300 -0.106 0.000 0.856 487 R HN 0.291 nan 8.270 nan 0.000 0.437 488 S N -0.867 114.792 115.700 -0.069 0.000 2.440 488 S HA -0.048 4.422 4.470 -0.000 0.000 0.238 488 S C 1.575 176.172 174.600 -0.005 0.000 1.010 488 S CA 1.148 59.329 58.200 -0.033 0.000 0.972 488 S CB -0.440 62.743 63.200 -0.029 0.000 0.774 488 S HN 0.702 nan 8.310 nan 0.000 0.501 489 G N 0.675 109.479 108.800 0.007 0.000 2.168 489 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.263 489 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.263 489 G C 0.484 175.412 174.900 0.048 0.000 0.977 489 G CA 0.258 45.377 45.100 0.030 0.000 0.659 489 G HN 1.216 nan 8.290 nan 0.000 0.533 490 G N -0.223 108.608 108.800 0.051 0.000 2.554 490 G HA2 0.401 4.361 3.960 -0.000 0.000 0.238 490 G HA3 0.401 4.361 3.960 -0.000 0.000 0.238 490 G C 0.042 174.978 174.900 0.060 0.000 1.259 490 G CA 0.590 45.720 45.100 0.049 0.000 0.843 490 G HN 0.596 nan 8.290 nan 0.000 0.582 491 D N -0.456 119.971 120.400 0.046 0.000 2.382 491 D HA 0.185 4.825 4.640 -0.000 0.000 0.245 491 D C 1.298 177.624 176.300 0.043 0.000 1.120 491 D CA -0.137 53.892 54.000 0.047 0.000 0.890 491 D CB 0.554 41.377 40.800 0.038 0.000 1.201 491 D HN 0.318 nan 8.370 nan 0.000 0.433 492 I N 0.278 120.880 120.570 0.055 0.000 4.050 492 I HA 0.271 4.441 4.170 -0.000 0.000 0.327 492 I C -0.423 175.820 176.117 0.211 0.000 1.473 492 I CA -0.585 60.745 61.300 0.051 0.000 1.124 492 I CB -0.048 37.850 38.000 -0.169 0.000 1.129 492 I HN 0.115 nan 8.210 nan 0.000 0.428 493 L N 2.468 123.790 121.223 0.166 0.000 2.397 493 L HA 0.298 4.638 4.340 -0.000 0.000 0.271 493 L C 0.528 177.434 176.870 0.060 0.000 1.148 493 L CA -0.233 54.664 54.840 0.095 0.000 0.825 493 L CB 0.373 42.423 42.059 -0.015 0.000 1.117 493 L HN 0.256 nan 8.230 nan 0.000 0.456 494 Q N 1.307 121.130 119.800 0.039 0.000 2.396 494 Q HA 0.315 4.655 4.340 -0.000 0.000 0.221 494 Q C -0.555 175.438 176.000 -0.012 0.000 1.025 494 Q CA -0.181 55.647 55.803 0.042 0.000 0.946 494 Q CB 1.246 30.036 28.738 0.087 0.000 1.224 494 Q HN 0.526 nan 8.270 nan 0.000 0.539 495 S N -0.189 115.521 115.700 0.017 0.000 2.664 495 S HA 0.495 4.965 4.470 -0.000 0.000 0.262 495 S C -0.412 174.233 174.600 0.076 0.000 1.229 495 S CA -0.046 58.204 58.200 0.084 0.000 1.151 495 S CB 0.805 64.083 63.200 0.130 0.000 1.054 495 S HN 0.846 nan 8.310 nan 0.000 0.483 496 G N 2.215 111.059 108.800 0.072 0.000 2.502 496 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.273 496 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.273 496 G C 0.340 175.308 174.900 0.113 0.000 1.021 496 G CA -0.350 44.801 45.100 0.084 0.000 1.333 496 G HN 1.286 nan 8.290 nan 0.000 0.508 499 G N 0.000 108.805 108.800 0.009 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 45.099 45.100 -0.002 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925