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 3bk7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVRKMRIAVI DYDKCNPDKC GHFLCERVCP VNRMGGEAII IDEENYKPII DATA SEQUENCE QEASCTGCGI CVHKCPFNAI SIVNLPEQLD EDcVHRYGVN AFVLYRLPIV DATA SEQUENCE KDGMVVGIVG PNGTGKTTAV KILAGQLIPN LcEDNDSWDN VIRAFRGNEL DATA SEQUENCE QNYFERLKNG EIRPVVKPQY VDLLPKAVKG KVRELLKKVD EVGKFEEVVK DATA SEQUENCE ELELENVLDR ELHQLSGGEL QRVAIAAALL RKAHFYFFDE PSSYLDIRQR DATA SEQUENCE LKVARVIRRL ANEGKAVLVV EHDLAVLDYL SDVIHVVYGE PGVYGIFSKP DATA SEQUENCE KGTRNGINEF LQGYLKDENV RFRPYEIRFT KLSERVDVER ETLVEYPRLV DATA SEQUENCE KDYGSFKLEV EPGEIRKGEV IGIVGPNGIG KTTFVKMLAG VEEPTEGKVE DATA SEQUENCE WDLTVAYKPQ YIKAEYEGTV YELLSKIDSS KLNSNFYKTE LLKPLGIIDL DATA SEQUENCE YDRNVEDLSG GELQRVAIAA TLLRDADIYL LDEPSAYLDV EQRLAVSRAI DATA SEQUENCE RHLMEKNEKT ALVVEHDVLM IDYVSDRLIV FEGEPGRHGR ALPPMGMREG DATA SEQUENCE MNRFLASVGI TFRRDPDSGR PRANKEGSVK DREQKARGEY YYA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.603 32.600 0.004 0.000 1.302 2 V N -1.233 118.681 119.914 -0.000 0.000 3.230 2 V HA 0.949 5.061 4.120 -0.012 0.000 0.302 2 V C -1.230 174.861 176.094 -0.006 0.000 1.421 2 V CA -0.858 61.440 62.300 -0.003 0.000 1.065 2 V CB 2.447 34.269 31.823 -0.002 0.000 1.097 2 V HN 1.062 nan 8.190 nan 0.000 0.460 3 R N 0.092 120.586 120.500 -0.010 0.000 6.245 3 R HA 0.484 4.817 4.340 -0.012 0.000 0.243 3 R C -1.828 174.458 176.300 -0.023 0.000 0.902 3 R CA -0.494 55.597 56.100 -0.015 0.000 1.554 3 R CB 0.753 31.044 30.300 -0.015 0.000 1.190 3 R HN 1.052 nan 8.270 nan 0.000 0.788 4 K N 4.157 124.541 120.400 -0.027 0.000 2.592 4 K HA 0.400 4.713 4.320 -0.012 0.000 0.259 4 K C -1.391 175.184 176.600 -0.041 0.000 0.937 4 K CA -0.486 55.778 56.287 -0.038 0.000 0.874 4 K CB 1.465 33.947 32.500 -0.030 0.000 1.339 4 K HN 0.437 nan 8.250 nan 0.000 0.425 5 M N 2.291 121.856 119.600 -0.059 0.000 2.578 5 M HA 0.576 5.048 4.480 -0.012 0.000 0.321 5 M C -0.318 175.942 176.300 -0.065 0.000 1.182 5 M CA -0.943 54.325 55.300 -0.054 0.000 0.965 5 M CB 2.056 34.623 32.600 -0.054 0.000 1.694 5 M HN 0.282 nan 8.290 nan 0.000 0.461 6 R N 1.216 121.687 120.500 -0.049 0.000 2.532 6 R HA 0.772 5.105 4.340 -0.012 0.000 0.295 6 R C -1.301 174.969 176.300 -0.050 0.000 0.968 6 R CA -0.290 55.781 56.100 -0.049 0.000 0.916 6 R CB 1.534 31.817 30.300 -0.029 0.000 1.124 6 R HN 0.663 nan 8.270 nan 0.000 0.463 7 I N 1.938 122.473 120.570 -0.059 0.000 2.478 7 I HA 0.431 4.594 4.170 -0.012 0.000 0.287 7 I C -0.819 175.288 176.117 -0.018 0.000 1.042 7 I CA -0.745 60.529 61.300 -0.045 0.000 1.067 7 I CB 2.172 40.121 38.000 -0.086 0.000 1.233 7 I HN 0.624 nan 8.210 nan 0.000 0.431 8 A N 6.580 129.400 122.820 -0.001 0.000 2.318 8 A HA 0.840 5.153 4.320 -0.012 0.000 0.317 8 A C -1.001 176.595 177.584 0.020 0.000 1.159 8 A CA -0.489 51.552 52.037 0.007 0.000 0.799 8 A CB 1.422 20.422 19.000 0.001 0.000 1.194 8 A HN 0.422 nan 8.150 nan 0.000 0.479 9 V N 3.777 123.703 119.914 0.020 0.000 2.588 9 V HA 0.465 4.578 4.120 -0.012 0.000 0.304 9 V C -0.609 175.448 176.094 -0.061 0.000 1.042 9 V CA -0.260 62.052 62.300 0.021 0.000 0.877 9 V CB 1.779 33.656 31.823 0.089 0.000 0.996 9 V HN 0.778 nan 8.190 nan 0.000 0.425 10 I N 3.446 123.904 120.570 -0.186 0.000 2.411 10 I HA 0.315 4.478 4.170 -0.012 0.000 0.284 10 I C -0.474 175.375 176.117 -0.447 0.000 1.012 10 I CA -0.459 60.609 61.300 -0.385 0.000 1.119 10 I CB 1.749 39.314 38.000 -0.724 0.000 1.261 10 I HN 0.536 nan 8.210 nan 0.000 0.448 11 D N 6.313 126.577 120.400 -0.227 0.000 2.416 11 D HA 0.007 4.640 4.640 -0.012 0.000 0.240 11 D C 0.791 177.003 176.300 -0.148 0.000 1.250 11 D CA 0.276 54.202 54.000 -0.123 0.000 0.967 11 D CB 0.349 41.117 40.800 -0.053 0.000 1.059 11 D HN 0.372 nan 8.370 nan 0.000 0.512 12 Y N 1.378 121.675 120.300 -0.005 0.000 2.256 12 Y HA -0.174 4.370 4.550 -0.009 0.000 0.288 12 Y C 2.180 178.049 175.900 -0.051 0.000 1.155 12 Y CA 0.866 58.954 58.100 -0.020 0.000 1.203 12 Y CB 0.022 38.481 38.460 -0.000 0.000 0.980 12 Y HN 0.386 nan 8.280 nan 0.000 0.530 13 D N 0.308 120.761 120.400 0.087 0.000 2.389 13 D HA -0.138 4.495 4.640 -0.012 0.000 0.221 13 D C 1.131 177.388 176.300 -0.071 0.000 0.974 13 D CA 1.049 55.054 54.000 0.009 0.000 0.923 13 D CB 0.065 40.864 40.800 -0.002 0.000 0.892 13 D HN 0.442 nan 8.370 nan 0.000 0.518 14 K N -0.823 119.515 120.400 -0.103 0.000 2.412 14 K HA 0.081 4.393 4.320 -0.012 0.000 0.202 14 K C 0.578 176.969 176.600 -0.348 0.000 1.102 14 K CA -0.268 55.883 56.287 -0.226 0.000 1.027 14 K CB 1.118 33.534 32.500 -0.140 0.000 0.931 14 K HN 0.023 nan 8.250 nan 0.000 0.557 15 C N 1.492 120.685 119.300 -0.178 0.000 2.536 15 C HA 0.365 4.818 4.460 -0.012 0.000 0.396 15 C C -0.179 174.720 174.990 -0.151 0.000 1.279 15 C CA -0.096 58.843 59.018 -0.131 0.000 2.148 15 C CB -0.658 27.067 27.740 -0.024 0.000 2.584 15 C HN 0.543 nan 8.230 nan 0.000 0.579 16 N N 4.402 123.029 118.700 -0.121 0.000 2.732 16 N HA 0.273 5.006 4.740 -0.012 0.000 0.247 16 N C -2.265 173.191 175.510 -0.090 0.000 1.305 16 N CA -0.922 52.081 53.050 -0.079 0.000 0.762 16 N CB 1.258 39.697 38.487 -0.080 0.000 1.361 16 N HN 0.417 nan 8.380 nan 0.000 0.545 17 P HA -0.181 nan 4.420 nan 0.000 0.217 17 P C 0.359 177.515 177.300 -0.241 0.000 1.148 17 P CA 1.149 63.825 63.100 -0.707 0.000 0.834 17 P CB 0.244 30.909 31.700 -1.725 0.000 0.783 18 D N -1.291 119.120 120.400 0.018 0.000 2.277 18 D HA -0.094 4.538 4.640 -0.012 0.000 0.208 18 D C 1.815 178.167 176.300 0.086 0.000 0.962 18 D CA 0.886 54.958 54.000 0.120 0.000 0.865 18 D CB -0.014 40.879 40.800 0.155 0.000 0.939 18 D HN 0.282 nan 8.370 nan 0.000 0.510 19 K N 0.706 121.157 120.400 0.086 0.000 2.211 19 K HA -0.043 4.270 4.320 -0.012 0.000 0.201 19 K C 1.758 178.395 176.600 0.061 0.000 1.052 19 K CA 0.572 56.924 56.287 0.108 0.000 0.973 19 K CB 0.239 32.874 32.500 0.225 0.000 0.766 19 K HN 0.191 nan 8.250 nan 0.000 0.466 20 C N -0.391 118.934 119.300 0.041 0.000 2.559 20 C HA 0.600 5.053 4.460 -0.012 0.000 0.300 20 C C 1.088 176.085 174.990 0.012 0.000 1.288 20 C CA -0.432 58.582 59.018 -0.006 0.000 1.699 20 C CB -1.200 26.531 27.740 -0.016 0.000 1.819 20 C HN 0.639 nan 8.230 nan 0.000 0.600 21 G N 0.936 109.762 108.800 0.044 0.000 2.662 21 G HA2 -0.106 3.847 3.960 -0.012 0.000 0.236 21 G HA3 -0.106 3.847 3.960 -0.012 0.000 0.236 21 G C -0.624 174.377 174.900 0.169 0.000 1.212 21 G CA 0.288 45.443 45.100 0.091 0.000 0.968 21 G HN 0.861 nan 8.290 nan 0.000 0.576 22 H N 0.213 119.333 119.070 0.084 0.000 2.697 22 H HA 0.580 5.131 4.556 -0.009 0.000 0.270 22 H C 0.045 175.538 175.328 0.276 0.000 1.188 22 H CA -0.921 55.240 56.048 0.189 0.000 1.322 22 H CB -0.901 28.991 29.762 0.216 0.000 1.405 22 H HN 0.921 nan 8.280 nan 0.000 0.502 23 F N 3.637 123.496 119.950 -0.152 0.000 2.417 23 F HA -0.249 4.272 4.527 -0.009 0.000 0.225 23 F C 1.030 176.792 175.800 -0.064 0.000 1.032 23 F CA 0.157 58.059 58.000 -0.162 0.000 0.919 23 F CB -1.066 37.760 39.000 -0.291 0.000 1.012 23 F HN 0.497 nan 8.300 nan 0.000 0.819 24 L N 1.170 122.425 121.223 0.052 0.000 2.197 24 L HA -0.281 4.052 4.340 -0.012 0.000 0.215 24 L C 2.141 179.049 176.870 0.063 0.000 1.095 24 L CA 2.083 56.956 54.840 0.053 0.000 0.764 24 L CB -0.675 41.395 42.059 0.018 0.000 0.897 24 L HN 0.771 nan 8.230 nan 0.000 0.436 25 C N -0.740 118.606 119.300 0.077 0.000 2.659 25 C HA -0.223 4.230 4.460 -0.012 0.000 0.289 25 C C 2.648 177.672 174.990 0.057 0.000 1.227 25 C CA 1.044 60.102 59.018 0.067 0.000 1.770 25 C CB -1.163 26.628 27.740 0.084 0.000 2.066 25 C HN 0.645 nan 8.230 nan 0.000 0.447 26 E N 0.727 120.962 120.200 0.059 0.000 2.233 26 E HA -0.276 4.066 4.350 -0.012 0.000 0.199 26 E C 2.334 178.956 176.600 0.037 0.000 1.004 26 E CA 1.271 57.688 56.400 0.028 0.000 0.819 26 E CB -0.293 29.402 29.700 -0.009 0.000 0.738 26 E HN 0.553 nan 8.360 nan 0.000 0.478 27 R N -0.058 120.475 120.500 0.056 0.000 2.055 27 R HA -0.063 4.270 4.340 -0.012 0.000 0.228 27 R C 2.382 178.708 176.300 0.042 0.000 1.143 27 R CA 1.360 57.493 56.100 0.056 0.000 0.945 27 R CB -0.120 30.224 30.300 0.073 0.000 0.841 27 R HN 0.076 nan 8.270 nan 0.000 0.429 28 V N 0.854 120.793 119.914 0.042 0.000 2.809 28 V HA -0.129 3.984 4.120 -0.012 0.000 0.256 28 V C 1.227 177.341 176.094 0.032 0.000 1.080 28 V CA 0.561 62.883 62.300 0.035 0.000 1.102 28 V CB -0.520 31.324 31.823 0.036 0.000 0.705 28 V HN 0.471 nan 8.190 nan 0.000 0.475 29 C N 4.334 123.652 119.300 0.031 0.000 2.662 29 C HA 0.118 4.571 4.460 -0.012 0.000 0.402 29 C C 0.462 175.465 174.990 0.021 0.000 1.397 29 C CA -1.174 57.860 59.018 0.026 0.000 1.575 29 C CB 0.111 27.864 27.740 0.022 0.000 2.406 29 C HN 0.375 nan 8.230 nan 0.000 0.609 30 P HA -0.151 nan 4.420 nan 0.000 0.215 30 P C 1.673 178.981 177.300 0.014 0.000 1.157 30 P CA 1.853 64.963 63.100 0.018 0.000 0.874 30 P CB -0.031 31.680 31.700 0.019 0.000 0.790 31 V N 0.692 120.613 119.914 0.012 0.000 2.332 31 V HA -0.228 3.885 4.120 -0.012 0.000 0.248 31 V C 2.293 178.392 176.094 0.007 0.000 1.055 31 V CA 2.380 64.685 62.300 0.008 0.000 1.038 31 V CB -1.672 30.155 31.823 0.007 0.000 0.651 31 V HN 0.085 nan 8.190 nan 0.000 0.450 32 N N 0.003 118.708 118.700 0.008 0.000 2.309 32 N HA -0.128 4.604 4.740 -0.012 0.000 0.182 32 N C 1.881 177.397 175.510 0.009 0.000 1.018 32 N CA 0.908 53.961 53.050 0.006 0.000 0.876 32 N CB -0.472 38.019 38.487 0.007 0.000 0.972 32 N HN 0.442 nan 8.380 nan 0.000 0.434 33 R N 0.293 120.801 120.500 0.012 0.000 2.152 33 R HA 0.041 4.374 4.340 -0.012 0.000 0.232 33 R C 0.354 176.661 176.300 0.011 0.000 1.117 33 R CA 1.035 57.143 56.100 0.014 0.000 0.981 33 R CB -0.028 30.282 30.300 0.015 0.000 0.870 33 R HN 0.203 nan 8.270 nan 0.000 0.451 34 M N 0.376 119.981 119.600 0.009 0.000 2.972 34 M HA 0.230 4.703 4.480 -0.012 0.000 0.323 34 M C 0.017 176.320 176.300 0.005 0.000 1.213 34 M CA 0.151 55.456 55.300 0.007 0.000 0.935 34 M CB 1.754 34.358 32.600 0.006 0.000 1.289 34 M HN 0.360 nan 8.290 nan 0.000 0.525 35 G N 0.716 109.519 108.800 0.005 0.000 2.350 35 G HA2 -0.165 3.787 3.960 -0.012 0.000 0.298 35 G HA3 -0.165 3.787 3.960 -0.012 0.000 0.298 35 G C 0.012 174.913 174.900 0.001 0.000 1.037 35 G CA 0.121 45.223 45.100 0.003 0.000 1.074 35 G HN 0.676 nan 8.290 nan 0.000 0.511 36 G N -1.329 107.471 108.800 0.001 0.000 2.685 36 G HA2 0.697 4.649 3.960 -0.012 0.000 0.298 36 G HA3 0.697 4.649 3.960 -0.012 0.000 0.298 36 G C -0.231 174.666 174.900 -0.004 0.000 1.277 36 G CA -0.636 44.463 45.100 -0.001 0.000 0.986 36 G HN 0.246 nan 8.290 nan 0.000 0.487 37 E N 0.254 120.451 120.200 -0.005 0.000 3.269 37 E HA 0.338 4.681 4.350 -0.012 0.000 0.221 37 E C 1.209 177.805 176.600 -0.006 0.000 1.113 37 E CA -0.421 55.974 56.400 -0.009 0.000 1.385 37 E CB 1.049 30.742 29.700 -0.011 0.000 1.345 37 E HN 0.468 nan 8.360 nan 0.000 0.435 38 A N 1.020 123.839 122.820 -0.003 0.000 1.872 38 A HA 0.040 4.352 4.320 -0.012 0.000 0.214 38 A C 1.021 178.606 177.584 0.002 0.000 1.187 38 A CA 0.742 52.779 52.037 0.000 0.000 0.614 38 A CB 0.141 19.143 19.000 0.004 0.000 0.826 38 A HN 0.307 nan 8.150 nan 0.000 0.442 39 I N 0.525 121.095 120.570 -0.000 0.000 2.382 39 I HA 0.385 4.548 4.170 -0.012 0.000 0.286 39 I C -0.946 175.157 176.117 -0.022 0.000 1.002 39 I CA -0.164 61.136 61.300 0.001 0.000 1.135 39 I CB 1.587 39.594 38.000 0.013 0.000 1.288 39 I HN 0.142 nan 8.210 nan 0.000 0.448 40 I N 6.456 127.008 120.570 -0.029 0.000 2.562 40 I HA 0.448 4.610 4.170 -0.012 0.000 0.301 40 I C -0.201 175.847 176.117 -0.114 0.000 1.003 40 I CA -0.851 60.411 61.300 -0.064 0.000 1.127 40 I CB 2.237 40.212 38.000 -0.042 0.000 1.304 40 I HN 0.371 nan 8.210 nan 0.000 0.446 41 I N 3.844 124.290 120.570 -0.206 0.000 2.331 41 I HA 0.142 4.304 4.170 -0.012 0.000 0.292 41 I C -0.266 175.718 176.117 -0.222 0.000 0.998 41 I CA -0.363 60.717 61.300 -0.367 0.000 1.267 41 I CB 1.042 38.657 38.000 -0.641 0.000 1.386 41 I HN 0.464 nan 8.210 nan 0.000 0.476 42 D N 6.853 127.157 120.400 -0.159 0.000 2.494 42 D HA 0.070 4.702 4.640 -0.012 0.000 0.217 42 D C -0.039 176.248 176.300 -0.022 0.000 1.153 42 D CA -0.246 53.718 54.000 -0.060 0.000 0.954 42 D CB 0.315 41.103 40.800 -0.020 0.000 1.034 42 D HN 0.441 nan 8.370 nan 0.000 0.518 43 E N 2.810 122.995 120.200 -0.025 0.000 1.999 43 E HA 0.088 4.431 4.350 -0.012 0.000 0.296 43 E C 0.555 177.217 176.600 0.103 0.000 1.187 43 E CA 0.062 56.508 56.400 0.078 0.000 1.229 43 E CB 0.673 30.396 29.700 0.038 0.000 1.131 43 E HN 0.595 nan 8.360 nan 0.000 0.478 44 E N 0.963 121.243 120.200 0.134 0.000 2.763 44 E HA -0.007 4.335 4.350 -0.012 0.000 0.282 44 E C 0.654 177.318 176.600 0.107 0.000 1.124 44 E CA -0.170 56.283 56.400 0.087 0.000 2.045 44 E CB -0.148 29.576 29.700 0.040 0.000 2.468 44 E HN 0.159 nan 8.360 nan 0.000 1.058 45 N N 0.547 119.300 118.700 0.088 0.000 2.461 45 N HA -0.022 4.711 4.740 -0.012 0.000 0.188 45 N C -0.501 175.120 175.510 0.186 0.000 1.134 45 N CA 0.602 53.697 53.050 0.076 0.000 0.878 45 N CB 0.092 38.575 38.487 -0.007 0.000 0.972 45 N HN 0.305 nan 8.380 nan 0.000 0.456 46 Y N 0.758 121.102 120.300 0.073 0.000 3.001 46 Y HA -0.358 4.183 4.550 -0.015 0.000 0.187 46 Y C -0.567 175.488 175.900 0.259 0.000 1.462 46 Y CA 0.343 58.560 58.100 0.194 0.000 0.936 46 Y CB -1.314 37.252 38.460 0.176 0.000 1.337 46 Y HN 0.062 nan 8.280 nan 0.000 0.428 47 K N 1.999 122.510 120.400 0.184 0.000 2.509 47 K HA 0.669 4.982 4.320 -0.012 0.000 0.266 47 K C -2.984 173.806 176.600 0.316 0.000 0.987 47 K CA -1.808 54.626 56.287 0.246 0.000 0.868 47 K CB 2.266 34.786 32.500 0.033 0.000 1.421 47 K HN -0.054 nan 8.250 nan 0.000 0.444 48 P HA 0.516 nan 4.420 nan 0.000 0.289 48 P C -1.019 176.424 177.300 0.237 0.000 1.293 48 P CA -0.597 62.661 63.100 0.264 0.000 0.897 48 P CB 1.405 33.292 31.700 0.311 0.000 1.166 49 I N 2.016 122.657 120.570 0.118 0.000 2.569 49 I HA 0.401 4.563 4.170 -0.012 0.000 0.290 49 I C 0.001 176.155 176.117 0.061 0.000 1.088 49 I CA -0.963 60.408 61.300 0.119 0.000 1.047 49 I CB 2.366 40.417 38.000 0.084 0.000 1.237 49 I HN 0.126 nan 8.210 nan 0.000 0.421 50 I N 5.484 126.088 120.570 0.056 0.000 2.312 50 I HA 0.217 4.380 4.170 -0.012 0.000 0.290 50 I C 0.070 176.200 176.117 0.021 0.000 1.008 50 I CA -0.432 60.885 61.300 0.028 0.000 1.226 50 I CB 1.060 39.070 38.000 0.016 0.000 1.371 50 I HN 0.480 nan 8.210 nan 0.000 0.468 51 Q N 6.002 125.809 119.800 0.011 0.000 2.553 51 Q HA 0.090 4.423 4.340 -0.012 0.000 0.221 51 Q C 0.641 176.641 176.000 0.001 0.000 1.219 51 Q CA -0.131 55.675 55.803 0.005 0.000 0.955 51 Q CB 0.516 29.253 28.738 -0.000 0.000 1.399 51 Q HN 0.582 nan 8.270 nan 0.000 0.551 52 E N 1.282 121.483 120.200 0.001 0.000 2.339 52 E HA -0.269 4.073 4.350 -0.012 0.000 0.201 52 E C 1.505 178.101 176.600 -0.008 0.000 1.015 52 E CA 1.038 57.435 56.400 -0.005 0.000 0.841 52 E CB -0.024 29.672 29.700 -0.007 0.000 0.754 52 E HN 0.636 nan 8.360 nan 0.000 0.508 53 A N 0.465 123.281 122.820 -0.007 0.000 2.121 53 A HA -0.090 4.223 4.320 -0.012 0.000 0.218 53 A C 2.010 179.590 177.584 -0.007 0.000 1.154 53 A CA 1.208 53.240 52.037 -0.008 0.000 0.679 53 A CB 0.116 19.110 19.000 -0.009 0.000 0.795 53 A HN 0.108 nan 8.150 nan 0.000 0.458 54 S N -1.856 113.841 115.700 -0.005 0.000 2.885 54 S HA 0.096 4.559 4.470 -0.012 0.000 0.172 54 S C 0.866 175.465 174.600 -0.003 0.000 0.703 54 S CA 0.207 58.405 58.200 -0.003 0.000 0.820 54 S CB -0.738 62.460 63.200 -0.002 0.000 0.766 54 S HN 0.945 nan 8.310 nan 0.000 0.605 55 C N 4.745 124.044 119.300 -0.001 0.000 0.676 55 C HA -0.125 4.328 4.460 -0.012 0.000 0.540 55 C C 2.045 177.034 174.990 -0.001 0.000 1.215 55 C CA 0.875 59.893 59.018 0.000 0.000 2.005 55 C CB -1.716 26.023 27.740 -0.002 0.000 3.532 55 C HN 0.850 nan 8.230 nan 0.000 0.561 56 T N 2.367 116.923 114.554 0.003 0.000 3.085 56 T HA 0.237 4.580 4.350 -0.012 0.000 0.263 56 T C 1.655 176.357 174.700 0.004 0.000 1.127 56 T CA 1.258 63.360 62.100 0.003 0.000 1.103 56 T CB -0.279 68.593 68.868 0.007 0.000 0.921 56 T HN 2.662 nan 8.240 nan 0.000 0.510 57 G N 0.567 109.369 108.800 0.004 0.000 2.136 57 G HA2 -0.357 3.595 3.960 -0.012 0.000 0.242 57 G HA3 -0.357 3.595 3.960 -0.012 0.000 0.242 57 G C 1.226 176.135 174.900 0.015 0.000 0.989 57 G CA 0.428 45.530 45.100 0.003 0.000 0.682 57 G HN 1.228 nan 8.290 nan 0.000 0.522 58 C N -0.732 118.581 119.300 0.022 0.000 2.419 58 C HA 0.413 4.865 4.460 -0.012 0.000 0.281 58 C C 2.660 177.686 174.990 0.060 0.000 1.336 58 C CA 1.174 60.214 59.018 0.038 0.000 1.770 58 C CB -1.049 26.712 27.740 0.035 0.000 1.929 58 C HN 2.477 nan 8.230 nan 0.000 0.509 59 G N 0.915 109.739 108.800 0.040 0.000 2.153 59 G HA2 -0.283 3.670 3.960 -0.012 0.000 0.252 59 G HA3 -0.283 3.670 3.960 -0.012 0.000 0.252 59 G C 0.484 175.438 174.900 0.090 0.000 0.994 59 G CA 0.587 45.704 45.100 0.027 0.000 0.698 59 G HN 0.653 nan 8.290 nan 0.000 0.521 60 I N 0.501 121.131 120.570 0.100 0.000 2.202 60 I HA -0.231 3.932 4.170 -0.012 0.000 0.242 60 I C 3.255 179.424 176.117 0.088 0.000 1.091 60 I CA 1.814 63.190 61.300 0.126 0.000 1.368 60 I CB -0.791 37.255 38.000 0.076 0.000 1.058 60 I HN 0.629 nan 8.210 nan 0.000 0.410 61 C N 0.158 119.483 119.300 0.042 0.000 2.403 61 C HA -0.104 4.349 4.460 -0.012 0.000 0.277 61 C C 2.683 177.674 174.990 0.000 0.000 1.248 61 C CA 0.313 59.345 59.018 0.024 0.000 1.762 61 C CB -1.633 26.116 27.740 0.015 0.000 2.014 61 C HN 0.352 nan 8.230 nan 0.000 0.486 62 V N 0.924 120.810 119.914 -0.046 0.000 2.343 62 V HA -0.208 3.905 4.120 -0.012 0.000 0.247 62 V C 2.923 178.936 176.094 -0.135 0.000 1.051 62 V CA 2.403 64.630 62.300 -0.122 0.000 1.036 62 V CB -1.088 30.598 31.823 -0.229 0.000 0.654 62 V HN 0.616 nan 8.190 nan 0.000 0.451 63 H N 0.107 119.183 119.070 0.010 0.000 2.389 63 H HA -0.051 4.499 4.556 -0.011 0.000 0.299 63 H C 2.346 177.671 175.328 -0.005 0.000 1.081 63 H CA 1.476 57.528 56.048 0.006 0.000 1.345 63 H CB 0.076 29.842 29.762 0.007 0.000 1.393 63 H HN 0.296 nan 8.280 nan 0.000 0.520 64 K N 0.801 121.264 120.400 0.104 0.000 2.031 64 K HA -0.044 4.268 4.320 -0.012 0.000 0.205 64 K C 0.877 177.478 176.600 0.001 0.000 1.049 64 K CA 0.074 56.388 56.287 0.044 0.000 0.939 64 K CB -0.582 31.941 32.500 0.038 0.000 0.717 64 K HN 0.139 nan 8.250 nan 0.000 0.438 65 C N 4.263 123.564 119.300 0.003 0.000 2.041 65 C HA -0.035 4.418 4.460 -0.012 0.000 0.416 65 C C -0.913 174.038 174.990 -0.065 0.000 1.521 65 C CA -1.382 57.634 59.018 -0.003 0.000 1.444 65 C CB -0.214 27.544 27.740 0.031 0.000 2.659 65 C HN 0.441 nan 8.230 nan 0.000 0.615 66 P HA -0.158 nan 4.420 nan 0.000 0.221 66 P C 0.718 177.650 177.300 -0.614 0.000 1.141 66 P CA 1.897 64.733 63.100 -0.441 0.000 0.794 66 P CB 0.017 31.346 31.700 -0.620 0.000 0.764 67 F N -1.035 118.908 119.950 -0.012 0.000 2.322 67 F HA 0.350 4.870 4.527 -0.013 0.000 0.223 67 F C 0.953 176.747 175.800 -0.009 0.000 1.054 67 F CA -0.142 57.854 58.000 -0.008 0.000 1.129 67 F CB -0.446 38.545 39.000 -0.016 0.000 1.438 67 F HN -0.223 nan 8.300 nan 0.000 0.597 68 N N -1.096 117.736 118.700 0.221 0.000 3.742 68 N HA 0.142 4.875 4.740 -0.012 0.000 0.119 68 N C -0.647 174.899 175.510 0.059 0.000 0.922 68 N CA 0.522 53.627 53.050 0.091 0.000 2.904 68 N CB -0.302 38.225 38.487 0.068 0.000 1.379 68 N HN 0.359 nan 8.380 nan 0.000 0.786 69 A N 0.242 123.095 122.820 0.056 0.000 2.337 69 A HA 0.463 4.776 4.320 -0.012 0.000 0.227 69 A C 0.263 177.804 177.584 -0.073 0.000 1.259 69 A CA 0.351 52.373 52.037 -0.025 0.000 0.870 69 A CB -0.155 18.820 19.000 -0.042 0.000 0.927 69 A HN 0.357 nan 8.150 nan 0.000 0.497 70 I N -0.418 120.128 120.570 -0.040 0.000 2.582 70 I HA 0.369 4.531 4.170 -0.012 0.000 0.292 70 I C -0.826 175.268 176.117 -0.037 0.000 1.066 70 I CA -0.370 60.898 61.300 -0.053 0.000 1.053 70 I CB 2.518 40.491 38.000 -0.046 0.000 1.241 70 I HN -0.058 nan 8.210 nan 0.000 0.421 71 S N 6.290 121.974 115.700 -0.026 0.000 2.571 71 S HA 0.641 5.103 4.470 -0.012 0.000 0.284 71 S C -0.864 173.738 174.600 0.003 0.000 1.128 71 S CA -0.500 57.700 58.200 -0.001 0.000 0.970 71 S CB 1.921 65.146 63.200 0.041 0.000 1.039 71 S HN 0.287 nan 8.310 nan 0.000 0.485 72 I N 3.846 124.414 120.570 -0.003 0.000 2.468 72 I HA 0.432 4.595 4.170 -0.012 0.000 0.285 72 I C -0.431 175.687 176.117 0.002 0.000 1.039 72 I CA -0.706 60.590 61.300 -0.006 0.000 1.074 72 I CB 1.650 39.639 38.000 -0.018 0.000 1.228 72 I HN 0.508 nan 8.210 nan 0.000 0.436 73 V N 3.466 123.374 119.914 -0.010 0.000 2.769 73 V HA 0.633 4.746 4.120 -0.012 0.000 0.312 73 V C -0.513 175.536 176.094 -0.074 0.000 1.061 73 V CA -0.768 61.516 62.300 -0.027 0.000 0.931 73 V CB 2.167 33.969 31.823 -0.034 0.000 1.010 73 V HN 0.704 nan 8.190 nan 0.000 0.433 74 N N 3.548 122.212 118.700 -0.061 0.000 2.501 74 N HA 0.701 5.434 4.740 -0.012 0.000 0.245 74 N C -0.888 174.562 175.510 -0.100 0.000 0.974 74 N CA -0.325 52.684 53.050 -0.068 0.000 0.941 74 N CB 1.240 39.708 38.487 -0.032 0.000 1.122 74 N HN 0.722 nan 8.380 nan 0.000 0.507 75 L N 2.971 124.104 121.223 -0.150 0.000 2.322 75 L HA 0.684 5.016 4.340 -0.012 0.000 0.269 75 L C -2.100 174.692 176.870 -0.131 0.000 1.012 75 L CA -2.252 52.475 54.840 -0.188 0.000 0.815 75 L CB 2.006 43.855 42.059 -0.350 0.000 1.295 75 L HN 0.298 nan 8.230 nan 0.000 0.438 76 P HA 0.107 nan 4.420 nan 0.000 0.280 76 P C -1.088 176.162 177.300 -0.083 0.000 1.244 76 P CA -0.369 62.686 63.100 -0.076 0.000 0.784 76 P CB 0.781 32.450 31.700 -0.051 0.000 0.913 77 E N 2.065 122.233 120.200 -0.054 0.000 2.324 77 E HA 0.001 4.343 4.350 -0.012 0.000 0.271 77 E C 0.438 177.019 176.600 -0.031 0.000 1.028 77 E CA 0.480 56.856 56.400 -0.040 0.000 0.890 77 E CB 0.681 30.366 29.700 -0.026 0.000 1.004 77 E HN 0.445 nan 8.360 nan 0.000 0.431 78 Q N 2.278 122.063 119.800 -0.025 0.000 7.883 78 Q HA -0.070 4.262 4.340 -0.012 0.000 0.366 78 Q C 0.615 176.616 176.000 0.002 0.000 0.942 78 Q CA 0.273 56.069 55.803 -0.012 0.000 0.542 78 Q CB -0.896 27.833 28.738 -0.015 0.000 0.207 78 Q HN 0.607 nan 8.270 nan 0.000 0.892 79 L N 1.626 122.831 121.223 -0.029 0.000 2.217 79 L HA 0.015 4.348 4.340 -0.012 0.000 0.211 79 L C 1.666 178.654 176.870 0.196 0.000 1.107 79 L CA 1.459 56.302 54.840 0.005 0.000 0.783 79 L CB -0.312 41.517 42.059 -0.384 0.000 0.919 79 L HN 0.330 nan 8.230 nan 0.000 0.442 80 D N 0.457 120.926 120.400 0.114 0.000 2.265 80 D HA -0.198 4.435 4.640 -0.012 0.000 0.208 80 D C 1.783 178.119 176.300 0.061 0.000 0.977 80 D CA 1.041 55.114 54.000 0.122 0.000 0.871 80 D CB 0.201 41.028 40.800 0.044 0.000 0.925 80 D HN 0.223 nan 8.370 nan 0.000 0.485 81 E N -0.334 119.891 120.200 0.041 0.000 2.474 81 E HA 0.031 4.374 4.350 -0.012 0.000 0.195 81 E C 0.208 176.795 176.600 -0.022 0.000 1.039 81 E CA 0.192 56.590 56.400 -0.003 0.000 0.881 81 E CB 0.530 30.224 29.700 -0.011 0.000 0.970 81 E HN 0.296 nan 8.360 nan 0.000 0.486 82 D N -0.395 120.028 120.400 0.039 0.000 2.535 82 D HA 0.044 4.677 4.640 -0.012 0.000 0.229 82 D C -0.301 176.026 176.300 0.045 0.000 1.238 82 D CA -0.214 53.801 54.000 0.025 0.000 0.824 82 D CB 0.006 40.861 40.800 0.091 0.000 1.045 82 D HN -0.027 nan 8.370 nan 0.000 0.500 83 c N 0.943 119.534 118.600 -0.015 0.000 2.633 83 c HA 0.097 4.660 4.570 -0.012 0.000 0.415 83 c C 2.000 175.974 174.090 -0.193 0.000 1.393 83 c CA -0.029 56.146 56.329 -0.257 0.000 1.700 83 c CB -0.272 42.085 42.510 -0.255 0.000 2.541 83 c HN 0.118 nan 8.230 nan 0.000 0.603 84 V N 4.458 124.261 119.914 -0.187 0.000 3.048 84 V HA 0.233 4.346 4.120 -0.012 0.000 0.241 84 V C 0.578 176.673 176.094 0.001 0.000 1.129 84 V CA 0.842 63.129 62.300 -0.021 0.000 1.128 84 V CB -0.218 31.667 31.823 0.104 0.000 0.849 84 V HN 0.858 nan 8.190 nan 0.000 0.475 85 H N -0.025 118.912 119.070 -0.223 0.000 3.140 85 H HA 0.471 5.023 4.556 -0.006 0.000 0.336 85 H C -1.341 173.800 175.328 -0.312 0.000 1.142 85 H CA -0.553 55.343 56.048 -0.254 0.000 1.308 85 H CB 1.982 31.602 29.762 -0.235 0.000 1.970 85 H HN 0.218 nan 8.280 nan 0.000 0.521 86 R N 3.678 123.719 120.500 -0.764 0.000 2.628 86 R HA 0.238 4.570 4.340 -0.012 0.000 0.288 86 R C -0.763 175.223 176.300 -0.524 0.000 0.980 86 R CA -0.453 55.371 56.100 -0.459 0.000 0.891 86 R CB 0.959 31.075 30.300 -0.307 0.000 1.188 86 R HN 0.518 nan 8.270 nan 0.000 0.450 87 Y N 2.615 122.901 120.300 -0.024 0.000 2.465 87 Y HA 0.316 4.855 4.550 -0.018 0.000 0.311 87 Y C 1.119 177.032 175.900 0.021 0.000 1.204 87 Y CA 0.990 59.124 58.100 0.057 0.000 1.272 87 Y CB 0.724 39.303 38.460 0.197 0.000 1.083 87 Y HN 0.913 nan 8.280 nan 0.000 0.508 88 G N -1.173 107.663 108.800 0.060 0.000 2.343 88 G HA2 -0.074 3.879 3.960 -0.012 0.000 0.465 88 G HA3 -0.074 3.879 3.960 -0.012 0.000 0.465 88 G C -1.364 173.573 174.900 0.062 0.000 1.282 88 G CA -1.075 44.055 45.100 0.051 0.000 0.996 88 G HN -0.152 nan 8.290 nan 0.000 0.521 89 V N 1.727 121.678 119.914 0.061 0.000 2.475 89 V HA 0.161 4.274 4.120 -0.012 0.000 0.292 89 V C 1.406 177.589 176.094 0.148 0.000 1.003 89 V CA 1.644 63.990 62.300 0.077 0.000 1.120 89 V CB -0.316 31.545 31.823 0.064 0.000 0.937 89 V HN 1.065 nan 8.190 nan 0.000 0.476 90 N N 1.216 119.984 118.700 0.114 0.000 2.800 90 N HA -0.197 4.536 4.740 -0.012 0.000 0.250 90 N C 0.278 175.876 175.510 0.147 0.000 1.078 90 N CA 0.457 53.578 53.050 0.119 0.000 0.804 90 N CB -0.502 38.075 38.487 0.150 0.000 1.135 90 N HN 0.897 nan 8.380 nan 0.000 0.565 91 A N 0.151 123.069 122.820 0.164 0.000 2.247 91 A HA 0.671 4.983 4.320 -0.012 0.000 0.313 91 A C -0.018 177.710 177.584 0.240 0.000 1.109 91 A CA -0.521 51.651 52.037 0.224 0.000 0.890 91 A CB 0.371 19.531 19.000 0.267 0.000 1.239 91 A HN 0.242 nan 8.150 nan 0.000 0.506 92 F N 0.486 120.558 119.950 0.202 0.000 2.563 92 F HA 0.411 4.930 4.527 -0.014 0.000 0.363 92 F C 0.138 176.092 175.800 0.257 0.000 1.123 92 F CA 0.582 58.722 58.000 0.233 0.000 1.307 92 F CB 0.652 39.789 39.000 0.229 0.000 1.115 92 F HN 0.395 nan 8.300 nan 0.000 0.592 93 V N 8.054 127.414 119.914 -0.924 0.000 2.789 93 V HA 0.663 4.776 4.120 -0.012 0.000 0.311 93 V C -1.946 173.602 176.094 -0.911 0.000 1.073 93 V CA -0.877 61.004 62.300 -0.698 0.000 0.921 93 V CB 1.780 33.369 31.823 -0.390 0.000 1.009 93 V HN 0.916 nan 8.190 nan 0.000 0.426 94 L N 6.724 127.663 121.223 -0.473 0.000 2.334 94 L HA 0.743 5.076 4.340 -0.012 0.000 0.276 94 L C -1.640 175.084 176.870 -0.242 0.000 1.014 94 L CA -0.142 54.624 54.840 -0.122 0.000 0.815 94 L CB 1.822 44.025 42.059 0.240 0.000 1.268 94 L HN 0.695 nan 8.230 nan 0.000 0.428 95 Y N 4.289 124.641 120.300 0.087 0.000 2.393 95 Y HA 0.774 5.317 4.550 -0.012 0.000 0.341 95 Y C 0.148 176.147 175.900 0.165 0.000 0.988 95 Y CA -0.670 57.477 58.100 0.079 0.000 1.078 95 Y CB 1.552 40.029 38.460 0.028 0.000 1.203 95 Y HN 0.668 nan 8.280 nan 0.000 0.453 96 R N 0.853 121.506 120.500 0.255 0.000 3.725 96 R HA -0.139 4.194 4.340 -0.012 0.000 0.547 96 R C -1.908 174.482 176.300 0.149 0.000 0.243 96 R CA 0.116 56.349 56.100 0.221 0.000 1.697 96 R CB -0.692 29.767 30.300 0.265 0.000 1.020 96 R HN 0.704 nan 8.270 nan 0.000 0.560 97 L N 1.002 122.217 121.223 -0.013 0.000 2.393 97 L HA 0.630 4.963 4.340 -0.012 0.000 0.260 97 L C -2.090 174.418 176.870 -0.603 0.000 1.002 97 L CA -2.092 52.482 54.840 -0.443 0.000 0.818 97 L CB 2.518 44.507 42.059 -0.117 0.000 1.369 97 L HN 0.534 nan 8.230 nan 0.000 0.412 98 P HA 0.286 nan 4.420 nan 0.000 0.276 98 P C -1.099 175.845 177.300 -0.592 0.000 1.244 98 P CA -0.351 62.070 63.100 -1.132 0.000 0.801 98 P CB 1.355 32.371 31.700 -1.140 0.000 1.006 99 I N 1.610 121.979 120.570 -0.335 0.000 2.359 99 I HA 0.151 4.314 4.170 -0.012 0.000 0.294 99 I C 0.395 176.416 176.117 -0.159 0.000 0.987 99 I CA -0.638 60.575 61.300 -0.145 0.000 1.225 99 I CB 1.415 39.447 38.000 0.054 0.000 1.366 99 I HN 0.139 nan 8.210 nan 0.000 0.466 100 V N 3.873 123.641 119.914 -0.242 0.000 2.439 100 V HA 0.632 4.744 4.120 -0.012 0.000 0.282 100 V C -0.384 175.709 176.094 -0.001 0.000 1.039 100 V CA -0.604 61.618 62.300 -0.130 0.000 0.913 100 V CB 1.098 32.799 31.823 -0.203 0.000 0.983 100 V HN 0.680 nan 8.190 nan 0.000 0.460 101 K N 3.309 123.745 120.400 0.059 0.000 2.376 101 K HA 0.454 4.767 4.320 -0.012 0.000 0.257 101 K C -1.246 175.391 176.600 0.062 0.000 0.939 101 K CA -0.715 55.611 56.287 0.065 0.000 0.809 101 K CB 1.770 34.294 32.500 0.041 0.000 1.121 101 K HN 0.773 nan 8.250 nan 0.000 0.425 102 D N 1.018 121.463 120.400 0.074 0.000 2.493 102 D HA 0.099 4.732 4.640 -0.012 0.000 0.240 102 D C 1.226 177.530 176.300 0.006 0.000 1.142 102 D CA 1.608 55.631 54.000 0.037 0.000 0.872 102 D CB 0.600 41.472 40.800 0.119 0.000 1.173 102 D HN 0.790 nan 8.370 nan 0.000 0.467 103 G N 1.496 110.272 108.800 -0.041 0.000 2.148 103 G HA2 -0.285 3.667 3.960 -0.012 0.000 0.254 103 G HA3 -0.285 3.667 3.960 -0.012 0.000 0.254 103 G C 0.197 175.077 174.900 -0.033 0.000 0.981 103 G CA 0.412 45.493 45.100 -0.032 0.000 0.670 103 G HN 0.459 nan 8.290 nan 0.000 0.528 104 M N -1.130 118.454 119.600 -0.026 0.000 2.664 104 M HA 0.601 5.074 4.480 -0.012 0.000 0.279 104 M C -0.579 175.714 176.300 -0.011 0.000 1.275 104 M CA -0.986 54.301 55.300 -0.023 0.000 0.829 104 M CB 2.679 35.275 32.600 -0.008 0.000 1.727 104 M HN -0.091 nan 8.290 nan 0.000 0.459 105 V N 2.264 122.164 119.914 -0.024 0.000 2.334 105 V HA 0.342 4.455 4.120 -0.012 0.000 0.281 105 V C -0.647 175.450 176.094 0.005 0.000 1.016 105 V CA -0.724 61.569 62.300 -0.011 0.000 0.832 105 V CB 1.324 33.109 31.823 -0.063 0.000 0.999 105 V HN 0.568 nan 8.190 nan 0.000 0.439 106 V N 4.934 124.869 119.914 0.034 0.000 2.348 106 V HA 0.562 4.675 4.120 -0.012 0.000 0.270 106 V C 1.006 177.125 176.094 0.043 0.000 1.037 106 V CA -0.206 62.123 62.300 0.048 0.000 0.872 106 V CB 1.155 33.008 31.823 0.051 0.000 1.002 106 V HN 0.882 nan 8.190 nan 0.000 0.464 107 G N 4.840 113.665 108.800 0.042 0.000 2.476 107 G HA2 0.705 4.658 3.960 -0.012 0.000 0.286 107 G HA3 0.705 4.658 3.960 -0.012 0.000 0.286 107 G C -0.721 174.206 174.900 0.045 0.000 1.177 107 G CA -0.510 44.601 45.100 0.018 0.000 0.870 107 G HN 0.621 nan 8.290 nan 0.000 0.528 108 I N 0.560 121.127 120.570 -0.006 0.000 2.499 108 I HA 0.427 4.590 4.170 -0.012 0.000 0.288 108 I C -0.758 175.277 176.117 -0.136 0.000 1.048 108 I CA -0.925 60.375 61.300 -0.001 0.000 1.062 108 I CB 2.189 40.214 38.000 0.042 0.000 1.238 108 I HN 0.327 nan 8.210 nan 0.000 0.426 109 V N 5.314 125.111 119.914 -0.195 0.000 2.925 109 V HA 1.036 5.149 4.120 -0.012 0.000 0.311 109 V C -0.437 175.463 176.094 -0.324 0.000 1.104 109 V CA 0.080 62.173 62.300 -0.344 0.000 0.954 109 V CB 2.006 33.520 31.823 -0.515 0.000 1.022 109 V HN 0.983 nan 8.190 nan 0.000 0.427 110 G N 5.268 113.907 108.800 -0.268 0.000 2.340 110 G HA2 0.376 4.328 3.960 -0.012 0.000 0.300 110 G HA3 0.376 4.328 3.960 -0.012 0.000 0.300 110 G C -3.513 171.387 174.900 -0.001 0.000 1.488 110 G CA -0.379 44.645 45.100 -0.125 0.000 0.878 110 G HN 0.697 nan 8.290 nan 0.000 0.618 111 P HA 0.129 nan 4.420 nan 0.000 0.270 111 P C -0.307 177.027 177.300 0.057 0.000 1.223 111 P CA -0.295 62.855 63.100 0.083 0.000 0.785 111 P CB 0.713 32.432 31.700 0.032 0.000 0.923 112 N N 0.230 118.971 118.700 0.068 0.000 2.415 112 N HA 0.182 4.915 4.740 -0.012 0.000 0.248 112 N C 1.472 176.952 175.510 -0.050 0.000 1.271 112 N CA 1.196 54.260 53.050 0.024 0.000 0.913 112 N CB -0.263 38.229 38.487 0.008 0.000 1.129 112 N HN 0.768 nan 8.380 nan 0.000 0.444 113 G N -0.523 108.211 108.800 -0.110 0.000 2.136 113 G HA2 -0.260 3.692 3.960 -0.012 0.000 0.242 113 G HA3 -0.260 3.692 3.960 -0.012 0.000 0.242 113 G C 0.400 175.138 174.900 -0.271 0.000 0.989 113 G CA 0.783 45.754 45.100 -0.215 0.000 0.682 113 G HN 0.748 nan 8.290 nan 0.000 0.522 114 T N -3.187 111.259 114.554 -0.181 0.000 3.296 114 T HA 0.537 4.880 4.350 -0.012 0.000 0.285 114 T C 1.758 176.492 174.700 0.057 0.000 1.014 114 T CA 1.059 63.141 62.100 -0.029 0.000 0.920 114 T CB 0.635 69.453 68.868 -0.083 0.000 1.143 114 T HN 2.080 nan 8.240 nan 0.000 0.522 115 G N 1.967 110.718 108.800 -0.081 0.000 2.143 115 G HA2 -0.328 3.625 3.960 -0.012 0.000 0.248 115 G HA3 -0.328 3.625 3.960 -0.012 0.000 0.248 115 G C 0.859 175.852 174.900 0.156 0.000 0.991 115 G CA 0.573 45.756 45.100 0.138 0.000 0.689 115 G HN 0.571 nan 8.290 nan 0.000 0.522 116 K N -0.647 119.774 120.400 0.034 0.000 1.991 116 K HA -0.084 4.229 4.320 -0.012 0.000 0.212 116 K C 2.599 179.261 176.600 0.102 0.000 1.049 116 K CA 1.958 58.286 56.287 0.068 0.000 0.932 116 K CB -0.356 32.126 32.500 -0.031 0.000 0.717 116 K HN 0.320 nan 8.250 nan 0.000 0.441 117 T N 0.592 115.177 114.554 0.051 0.000 2.915 117 T HA -0.090 4.253 4.350 -0.012 0.000 0.269 117 T C 1.774 176.527 174.700 0.087 0.000 1.071 117 T CA 1.431 63.559 62.100 0.047 0.000 1.132 117 T CB -0.203 68.683 68.868 0.031 0.000 0.878 117 T HN 0.286 nan 8.240 nan 0.000 0.479 118 T N 1.868 116.501 114.554 0.131 0.000 2.777 118 T HA -0.010 4.332 4.350 -0.012 0.000 0.266 118 T C 2.396 177.169 174.700 0.121 0.000 1.040 118 T CA 1.114 63.317 62.100 0.172 0.000 1.141 118 T CB -0.454 68.593 68.868 0.298 0.000 0.868 118 T HN 0.427 nan 8.240 nan 0.000 0.444 119 A N 0.864 123.774 122.820 0.151 0.000 1.972 119 A HA -0.048 4.265 4.320 -0.012 0.000 0.219 119 A C 2.539 180.091 177.584 -0.053 0.000 1.169 119 A CA 1.256 53.316 52.037 0.038 0.000 0.635 119 A CB -0.899 18.107 19.000 0.010 0.000 0.810 119 A HN 0.371 nan 8.150 nan 0.000 0.446 120 V N 0.361 120.257 119.914 -0.029 0.000 2.307 120 V HA -0.257 3.856 4.120 -0.012 0.000 0.245 120 V C 2.365 178.487 176.094 0.048 0.000 1.045 120 V CA 2.288 64.549 62.300 -0.065 0.000 1.024 120 V CB -0.663 31.145 31.823 -0.026 0.000 0.651 120 V HN 0.608 nan 8.190 nan 0.000 0.449 121 K N 0.001 120.446 120.400 0.075 0.000 2.211 121 K HA -0.060 4.253 4.320 -0.012 0.000 0.203 121 K C 1.996 178.678 176.600 0.136 0.000 1.050 121 K CA 1.381 57.731 56.287 0.106 0.000 0.945 121 K CB -0.280 32.274 32.500 0.090 0.000 0.732 121 K HN 0.400 nan 8.250 nan 0.000 0.451 122 I N 1.268 121.908 120.570 0.117 0.000 2.193 122 I HA -0.239 3.924 4.170 -0.012 0.000 0.240 122 I C 2.143 178.465 176.117 0.341 0.000 1.084 122 I CA 1.175 62.596 61.300 0.202 0.000 1.365 122 I CB -0.229 37.844 38.000 0.123 0.000 1.064 122 I HN 0.065 nan 8.210 nan 0.000 0.410 123 L N 0.543 121.884 121.223 0.198 0.000 2.362 123 L HA -0.110 4.223 4.340 -0.012 0.000 0.219 123 L C 2.337 179.389 176.870 0.304 0.000 1.134 123 L CA 0.728 55.679 54.840 0.186 0.000 0.807 123 L CB -0.517 41.455 42.059 -0.144 0.000 0.927 123 L HN 0.252 nan 8.230 nan 0.000 0.447 124 A N -0.913 122.079 122.820 0.287 0.000 2.308 124 A HA 0.383 4.695 4.320 -0.012 0.000 0.217 124 A C 1.803 179.446 177.584 0.098 0.000 1.216 124 A CA 0.673 52.847 52.037 0.228 0.000 0.864 124 A CB 0.002 19.157 19.000 0.258 0.000 0.902 124 A HN 0.457 nan 8.150 nan 0.000 0.499 125 G N -0.776 108.132 108.800 0.180 0.000 2.225 125 G HA2 -0.367 3.586 3.960 -0.012 0.000 0.254 125 G HA3 -0.367 3.586 3.960 -0.012 0.000 0.254 125 G C 0.946 176.018 174.900 0.287 0.000 0.988 125 G CA 0.697 45.939 45.100 0.237 0.000 0.625 125 G HN 0.504 nan 8.290 nan 0.000 0.527 126 Q N -1.046 118.867 119.800 0.188 0.000 2.167 126 Q HA 0.228 4.561 4.340 -0.012 0.000 0.202 126 Q C 1.063 177.138 176.000 0.125 0.000 0.970 126 Q CA 1.305 57.190 55.803 0.137 0.000 0.855 126 Q CB 0.185 28.985 28.738 0.103 0.000 0.911 126 Q HN 0.625 nan 8.270 nan 0.000 0.438 127 L N 0.217 121.515 121.223 0.125 0.000 2.381 127 L HA 0.406 4.738 4.340 -0.012 0.000 0.274 127 L C -1.289 175.537 176.870 -0.073 0.000 0.988 127 L CA -0.442 54.403 54.840 0.008 0.000 0.824 127 L CB 1.542 43.564 42.059 -0.061 0.000 1.263 127 L HN -0.064 nan 8.230 nan 0.000 0.410 128 I N 7.760 128.155 120.570 -0.292 0.000 2.322 128 I HA 0.295 4.458 4.170 -0.012 0.000 0.292 128 I C -1.770 174.077 176.117 -0.451 0.000 1.060 128 I CA -1.731 59.110 61.300 -0.765 0.000 1.309 128 I CB 0.910 38.340 38.000 -0.950 0.000 1.415 128 I HN 0.504 nan 8.210 nan 0.000 0.492 129 P HA -0.029 nan 4.420 nan 0.000 0.265 129 P C -0.391 176.880 177.300 -0.048 0.000 1.187 129 P CA 0.011 63.054 63.100 -0.096 0.000 0.766 129 P CB 0.483 32.136 31.700 -0.078 0.000 0.820 130 N N 2.362 121.139 118.700 0.130 0.000 2.268 130 N HA 0.029 4.762 4.740 -0.012 0.000 0.204 130 N C 0.774 176.195 175.510 -0.149 0.000 1.124 130 N CA -0.282 52.705 53.050 -0.105 0.000 0.838 130 N CB -0.666 37.694 38.487 -0.211 0.000 0.994 130 N HN 0.363 nan 8.380 nan 0.000 0.489 131 L N -0.896 120.261 121.223 -0.109 0.000 3.858 131 L HA -0.349 3.983 4.340 -0.012 0.000 0.425 131 L C -0.283 176.486 176.870 -0.168 0.000 1.177 131 L CA 0.174 54.944 54.840 -0.117 0.000 0.943 131 L CB -2.713 39.291 42.059 -0.092 0.000 1.861 131 L HN 0.439 nan 8.230 nan 0.000 0.985 132 c N -1.228 117.227 118.600 -0.242 0.000 4.268 132 c HA -0.179 4.384 4.570 -0.012 0.000 0.299 132 c C 1.247 175.230 174.090 -0.178 0.000 1.429 132 c CA 1.548 57.727 56.329 -0.251 0.000 2.018 132 c CB -2.434 39.929 42.510 -0.245 0.000 1.277 132 c HN 0.851 nan 8.230 nan 0.000 0.767 133 E N 0.169 120.268 120.200 -0.169 0.000 2.623 133 E HA 0.395 4.738 4.350 -0.012 0.000 0.146 133 E C -0.206 176.320 176.600 -0.125 0.000 0.887 133 E CA 0.086 56.413 56.400 -0.122 0.000 0.843 133 E CB 0.696 30.335 29.700 -0.100 0.000 2.109 133 E HN 0.249 nan 8.360 nan 0.000 0.407 134 D N -0.066 120.274 120.400 -0.099 0.000 2.538 134 D HA 0.051 4.684 4.640 -0.012 0.000 0.231 134 D C -0.446 175.798 176.300 -0.093 0.000 1.229 134 D CA -0.362 53.583 54.000 -0.092 0.000 0.828 134 D CB -0.501 40.258 40.800 -0.068 0.000 1.035 134 D HN 0.258 nan 8.370 nan 0.000 0.495 135 N N 1.391 120.027 118.700 -0.107 0.000 2.458 135 N HA -0.053 4.680 4.740 -0.012 0.000 0.258 135 N C -0.415 175.012 175.510 -0.139 0.000 1.219 135 N CA 0.616 53.597 53.050 -0.115 0.000 0.902 135 N CB 0.816 39.230 38.487 -0.122 0.000 1.076 135 N HN 0.178 nan 8.380 nan 0.000 0.455 136 D N -0.283 120.029 120.400 -0.145 0.000 2.562 136 D HA 0.072 4.705 4.640 -0.012 0.000 0.246 136 D C -0.383 175.784 176.300 -0.222 0.000 1.347 136 D CA -0.442 53.454 54.000 -0.172 0.000 0.800 136 D CB -0.207 40.526 40.800 -0.111 0.000 1.111 136 D HN 0.339 nan 8.370 nan 0.000 0.508 137 S N -1.687 113.874 115.700 -0.231 0.000 2.634 137 S HA 0.516 4.979 4.470 -0.012 0.000 0.296 137 S C -0.087 174.352 174.600 -0.270 0.000 1.104 137 S CA -0.926 57.148 58.200 -0.209 0.000 0.920 137 S CB 0.967 64.125 63.200 -0.071 0.000 1.111 137 S HN 0.131 nan 8.310 nan 0.000 0.493 138 W N 0.539 121.804 121.300 -0.058 0.000 2.523 138 W HA 0.115 4.772 4.660 -0.006 0.000 0.278 138 W C 1.562 178.037 176.519 -0.073 0.000 1.236 138 W CA 0.406 57.699 57.345 -0.087 0.000 1.306 138 W CB -0.052 29.373 29.460 -0.058 0.000 1.101 138 W HN 0.700 nan 8.180 nan 0.000 0.577 139 D N 0.110 120.607 120.400 0.162 0.000 2.123 139 D HA -0.197 4.435 4.640 -0.012 0.000 0.196 139 D C 1.370 177.707 176.300 0.062 0.000 0.992 139 D CA 1.403 55.463 54.000 0.101 0.000 0.833 139 D CB -0.786 40.055 40.800 0.068 0.000 0.954 139 D HN 0.412 nan 8.370 nan 0.000 0.455 140 N N 0.206 118.918 118.700 0.020 0.000 2.289 140 N HA -0.095 4.638 4.740 -0.012 0.000 0.184 140 N C 1.926 177.445 175.510 0.015 0.000 1.016 140 N CA 0.341 53.391 53.050 0.001 0.000 0.872 140 N CB 0.301 38.765 38.487 -0.037 0.000 0.973 140 N HN 0.010 nan 8.380 nan 0.000 0.433 141 V N 1.725 121.640 119.914 0.001 0.000 2.283 141 V HA -0.179 3.933 4.120 -0.012 0.000 0.243 141 V C 2.188 178.352 176.094 0.116 0.000 1.039 141 V CA 1.297 63.595 62.300 -0.004 0.000 1.016 141 V CB -0.423 31.285 31.823 -0.192 0.000 0.650 141 V HN 0.254 nan 8.190 nan 0.000 0.449 142 I N -0.377 120.255 120.570 0.104 0.000 2.151 142 I HA -0.315 3.848 4.170 -0.012 0.000 0.243 142 I C 2.841 179.071 176.117 0.189 0.000 1.080 142 I CA 1.801 63.204 61.300 0.171 0.000 1.339 142 I CB -0.438 37.648 38.000 0.143 0.000 1.039 142 I HN 0.223 nan 8.210 nan 0.000 0.409 143 R N 0.471 121.047 120.500 0.126 0.000 2.073 143 R HA -0.166 4.167 4.340 -0.012 0.000 0.234 143 R C 2.444 178.801 176.300 0.094 0.000 1.134 143 R CA 1.590 57.746 56.100 0.094 0.000 0.952 143 R CB -0.458 29.874 30.300 0.053 0.000 0.850 143 R HN 0.394 nan 8.270 nan 0.000 0.433 144 A N 0.220 123.099 122.820 0.099 0.000 1.978 144 A HA -0.134 4.178 4.320 -0.012 0.000 0.220 144 A C 1.317 178.864 177.584 -0.063 0.000 1.170 144 A CA 1.202 53.242 52.037 0.004 0.000 0.636 144 A CB -0.342 18.645 19.000 -0.023 0.000 0.810 144 A HN 0.249 nan 8.150 nan 0.000 0.448 145 F N -0.147 119.828 119.950 0.042 0.000 2.660 145 F HA 0.268 4.787 4.527 -0.014 0.000 0.297 145 F C 0.980 176.837 175.800 0.096 0.000 1.132 145 F CA -0.354 57.703 58.000 0.095 0.000 1.372 145 F CB -0.187 38.928 39.000 0.191 0.000 1.003 145 F HN 0.060 nan 8.300 nan 0.000 0.524 146 R N 0.206 120.812 120.500 0.176 0.000 2.449 146 R HA 0.350 4.683 4.340 -0.012 0.000 0.296 146 R C 1.329 177.690 176.300 0.101 0.000 1.047 146 R CA 1.227 57.405 56.100 0.130 0.000 1.018 146 R CB 0.061 30.411 30.300 0.084 0.000 0.962 146 R HN 0.540 nan 8.270 nan 0.000 0.428 147 G N 2.807 111.670 108.800 0.105 0.000 2.284 147 G HA2 -0.331 3.622 3.960 -0.012 0.000 0.230 147 G HA3 -0.331 3.622 3.960 -0.012 0.000 0.230 147 G C 0.135 175.095 174.900 0.101 0.000 1.021 147 G CA 0.229 45.379 45.100 0.083 0.000 0.619 147 G HN 0.679 nan 8.290 nan 0.000 0.510 148 N N 1.119 119.907 118.700 0.147 0.000 2.513 148 N HA 0.454 5.187 4.740 -0.012 0.000 0.274 148 N C 1.517 177.133 175.510 0.176 0.000 1.189 148 N CA 0.515 53.672 53.050 0.178 0.000 0.975 148 N CB 0.531 39.192 38.487 0.289 0.000 1.157 148 N HN 0.499 nan 8.380 nan 0.000 0.465 149 E N 2.013 122.296 120.200 0.137 0.000 2.478 149 E HA -0.103 4.239 4.350 -0.012 0.000 0.198 149 E C 0.849 177.508 176.600 0.098 0.000 1.046 149 E CA 0.717 57.179 56.400 0.103 0.000 0.870 149 E CB -0.198 29.544 29.700 0.070 0.000 0.818 149 E HN 0.578 nan 8.360 nan 0.000 0.527 150 L N 0.633 121.943 121.223 0.144 0.000 2.446 150 L HA -0.030 4.303 4.340 -0.012 0.000 0.219 150 L C 2.742 179.719 176.870 0.179 0.000 1.116 150 L CA 0.535 55.414 54.840 0.065 0.000 0.844 150 L CB -0.236 41.844 42.059 0.036 0.000 0.970 150 L HN 0.247 nan 8.230 nan 0.000 0.457 151 Q N 1.002 120.971 119.800 0.281 0.000 2.112 151 Q HA -0.303 4.030 4.340 -0.012 0.000 0.206 151 Q C 1.853 177.968 176.000 0.190 0.000 0.987 151 Q CA 2.500 58.477 55.803 0.290 0.000 0.858 151 Q CB -0.026 28.855 28.738 0.237 0.000 0.905 151 Q HN 0.445 nan 8.270 nan 0.000 0.420 152 N N -1.032 117.745 118.700 0.128 0.000 2.216 152 N HA -0.190 4.542 4.740 -0.012 0.000 0.183 152 N C 1.543 177.070 175.510 0.027 0.000 1.017 152 N CA 1.199 54.295 53.050 0.076 0.000 0.861 152 N CB -0.325 38.205 38.487 0.071 0.000 0.986 152 N HN 0.393 nan 8.380 nan 0.000 0.428 153 Y N 0.026 120.242 120.300 -0.140 0.000 2.114 153 Y HA -0.216 4.326 4.550 -0.013 0.000 0.282 153 Y C 1.469 177.149 175.900 -0.366 0.000 1.165 153 Y CA 1.796 59.711 58.100 -0.308 0.000 1.148 153 Y CB -0.579 37.579 38.460 -0.504 0.000 0.972 153 Y HN 0.070 nan 8.280 nan 0.000 0.504 154 F N 0.613 120.461 119.950 -0.171 0.000 2.234 154 F HA -0.097 4.424 4.527 -0.010 0.000 0.299 154 F C 2.258 177.883 175.800 -0.293 0.000 1.087 154 F CA 1.572 59.392 58.000 -0.301 0.000 1.340 154 F CB -0.647 38.264 39.000 -0.147 0.000 1.031 154 F HN 0.139 nan 8.300 nan 0.000 0.500 155 E N -0.219 119.981 120.200 -0.000 0.000 2.051 155 E HA -0.173 4.169 4.350 -0.012 0.000 0.192 155 E C 2.350 178.866 176.600 -0.141 0.000 0.991 155 E CA 0.961 57.340 56.400 -0.036 0.000 0.799 155 E CB -0.130 29.570 29.700 0.001 0.000 0.748 155 E HN 0.317 nan 8.360 nan 0.000 0.449 156 R N 0.264 120.645 120.500 -0.197 0.000 2.092 156 R HA -0.106 4.227 4.340 -0.012 0.000 0.231 156 R C 2.451 178.527 176.300 -0.373 0.000 1.119 156 R CA 0.691 56.644 56.100 -0.246 0.000 0.970 156 R CB -0.343 29.818 30.300 -0.231 0.000 0.864 156 R HN 0.134 nan 8.270 nan 0.000 0.440 157 L N 2.132 123.018 121.223 -0.562 0.000 2.083 157 L HA -0.213 4.120 4.340 -0.012 0.000 0.209 157 L C 2.205 178.675 176.870 -0.668 0.000 1.083 157 L CA 1.895 56.312 54.840 -0.705 0.000 0.752 157 L CB -0.335 41.181 42.059 -0.907 0.000 0.899 157 L HN 0.084 nan 8.230 nan 0.000 0.433 158 K N -1.457 118.584 120.400 -0.599 0.000 2.116 158 K HA -0.077 4.235 4.320 -0.012 0.000 0.203 158 K C 1.724 178.171 176.600 -0.255 0.000 1.052 158 K CA 1.653 57.632 56.287 -0.513 0.000 0.952 158 K CB -0.620 31.703 32.500 -0.294 0.000 0.729 158 K HN 0.410 nan 8.250 nan 0.000 0.446 159 N N 0.293 118.872 118.700 -0.202 0.000 2.289 159 N HA -0.067 4.666 4.740 -0.012 0.000 0.184 159 N C 0.591 176.023 175.510 -0.130 0.000 1.016 159 N CA 0.826 53.798 53.050 -0.129 0.000 0.872 159 N CB -0.028 38.394 38.487 -0.109 0.000 0.973 159 N HN 0.564 nan 8.380 nan 0.000 0.433 160 G N 0.557 109.250 108.800 -0.179 0.000 2.131 160 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.223 160 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.223 160 G C 0.530 175.350 174.900 -0.132 0.000 0.990 160 G CA 0.238 45.247 45.100 -0.151 0.000 0.671 160 G HN 0.357 nan 8.290 nan 0.000 0.521 161 E N -0.551 119.562 120.200 -0.144 0.000 2.028 161 E HA 0.090 4.433 4.350 -0.012 0.000 0.190 161 E C 1.335 177.875 176.600 -0.100 0.000 0.984 161 E CA 1.329 57.663 56.400 -0.110 0.000 0.800 161 E CB 0.021 29.659 29.700 -0.104 0.000 0.758 161 E HN 0.867 nan 8.360 nan 0.000 0.448 162 I N -1.200 119.285 120.570 -0.141 0.000 2.493 162 I HA 0.345 4.507 4.170 -0.012 0.000 0.298 162 I C -0.687 175.321 176.117 -0.183 0.000 0.998 162 I CA -0.966 60.284 61.300 -0.084 0.000 1.137 162 I CB 1.810 39.829 38.000 0.031 0.000 1.310 162 I HN -0.117 nan 8.210 nan 0.000 0.445 163 R N 3.230 123.661 120.500 -0.116 0.000 2.625 163 R HA 0.613 4.945 4.340 -0.012 0.000 0.286 163 R C -3.066 173.125 176.300 -0.182 0.000 1.406 163 R CA -1.458 54.542 56.100 -0.168 0.000 1.052 163 R CB 0.489 30.707 30.300 -0.136 0.000 1.203 163 R HN 0.382 nan 8.270 nan 0.000 0.502 164 P HA -0.064 nan 4.420 nan 0.000 0.266 164 P C -0.394 176.662 177.300 -0.407 0.000 1.193 164 P CA -0.301 62.516 63.100 -0.471 0.000 0.770 164 P CB 0.655 31.898 31.700 -0.761 0.000 0.836 165 V N 3.125 122.728 119.914 -0.519 0.000 2.532 165 V HA 0.365 4.478 4.120 -0.012 0.000 0.295 165 V C 0.100 175.995 176.094 -0.331 0.000 1.041 165 V CA -0.382 61.694 62.300 -0.373 0.000 0.926 165 V CB 1.936 33.507 31.823 -0.420 0.000 0.992 165 V HN 0.212 nan 8.190 nan 0.000 0.457 166 V N 4.197 123.989 119.914 -0.204 0.000 2.577 166 V HA 0.442 4.554 4.120 -0.012 0.000 0.303 166 V C -0.142 175.856 176.094 -0.159 0.000 1.042 166 V CA -1.021 61.191 62.300 -0.147 0.000 0.872 166 V CB 1.967 33.779 31.823 -0.019 0.000 0.998 166 V HN 0.714 nan 8.190 nan 0.000 0.423 167 K N 7.302 127.553 120.400 -0.248 0.000 2.263 167 K HA 0.376 4.688 4.320 -0.012 0.000 0.282 167 K C -2.457 174.116 176.600 -0.045 0.000 1.089 167 K CA -2.113 54.086 56.287 -0.147 0.000 0.907 167 K CB 1.525 33.926 32.500 -0.164 0.000 1.148 167 K HN 0.381 nan 8.250 nan 0.000 0.470 168 P HA 0.005 nan 4.420 nan 0.000 0.269 168 P C 0.502 177.760 177.300 -0.071 0.000 1.209 168 P CA 0.015 63.102 63.100 -0.021 0.000 0.776 168 P CB 1.086 32.802 31.700 0.027 0.000 0.876 169 Q N 2.266 121.931 119.800 -0.225 0.000 1.967 169 Q HA -0.161 4.171 4.340 -0.012 0.000 0.202 169 Q C 0.094 175.881 176.000 -0.356 0.000 0.985 169 Q CA 1.514 57.077 55.803 -0.401 0.000 0.839 169 Q CB -0.432 27.829 28.738 -0.795 0.000 0.906 169 Q HN 0.463 nan 8.270 nan 0.000 0.423 170 Y N 1.580 121.926 120.300 0.077 0.000 2.576 170 Y HA 0.026 4.569 4.550 -0.012 0.000 0.348 170 Y C 1.096 177.060 175.900 0.106 0.000 1.212 170 Y CA -0.351 57.805 58.100 0.093 0.000 1.683 170 Y CB -0.246 38.257 38.460 0.071 0.000 1.484 170 Y HN 0.085 nan 8.280 nan 0.000 0.477 171 V N -2.016 118.030 119.914 0.220 0.000 2.871 171 V HA -0.102 4.011 4.120 -0.012 0.000 0.256 171 V C 0.756 176.956 176.094 0.178 0.000 1.082 171 V CA 1.025 63.435 62.300 0.184 0.000 1.105 171 V CB -0.151 31.788 31.823 0.195 0.000 0.713 171 V HN 0.443 nan 8.190 nan 0.000 0.473 172 D N 0.801 121.338 120.400 0.228 0.000 2.348 172 D HA 0.155 4.788 4.640 -0.012 0.000 0.248 172 D C 1.345 177.721 176.300 0.126 0.000 1.142 172 D CA 0.773 54.871 54.000 0.164 0.000 0.904 172 D CB -0.084 40.842 40.800 0.209 0.000 0.901 172 D HN 0.489 nan 8.370 nan 0.000 0.523 173 L N -0.891 120.410 121.223 0.130 0.000 2.840 173 L HA 0.208 4.540 4.340 -0.012 0.000 0.249 173 L C 1.908 178.827 176.870 0.082 0.000 1.119 173 L CA -0.074 54.825 54.840 0.098 0.000 0.930 173 L CB 0.033 42.158 42.059 0.109 0.000 1.295 173 L HN 0.071 nan 8.230 nan 0.000 0.534 174 L N 1.945 123.221 121.223 0.087 0.000 2.021 174 L HA -0.184 4.149 4.340 -0.012 0.000 0.215 174 L C -0.358 176.549 176.870 0.061 0.000 1.074 174 L CA 2.187 57.070 54.840 0.071 0.000 0.760 174 L CB -0.894 41.207 42.059 0.070 0.000 0.889 174 L HN 0.155 nan 8.230 nan 0.000 0.433 175 P HA -0.222 nan 4.420 nan 0.000 0.216 175 P C 0.015 177.354 177.300 0.065 0.000 1.153 175 P CA 1.639 64.781 63.100 0.069 0.000 0.858 175 P CB -0.227 31.519 31.700 0.078 0.000 0.789 176 K N -1.094 119.339 120.400 0.053 0.000 3.173 176 K HA 0.543 4.856 4.320 -0.012 0.000 0.255 176 K C 0.512 177.134 176.600 0.036 0.000 1.235 176 K CA 0.171 56.482 56.287 0.039 0.000 1.250 176 K CB -0.053 32.465 32.500 0.029 0.000 1.382 176 K HN 0.011 nan 8.250 nan 0.000 0.421 177 A N -0.076 122.768 122.820 0.040 0.000 2.212 177 A HA 0.218 4.531 4.320 -0.012 0.000 0.169 177 A C 0.103 177.708 177.584 0.034 0.000 1.802 177 A CA -0.014 52.044 52.037 0.036 0.000 1.344 177 A CB 0.793 19.818 19.000 0.042 0.000 1.566 177 A HN 0.119 nan 8.150 nan 0.000 0.419 178 V N 0.418 120.356 119.914 0.039 0.000 3.181 178 V HA 0.697 4.810 4.120 -0.012 0.000 0.314 178 V C -0.870 175.250 176.094 0.043 0.000 1.173 178 V CA -0.799 61.523 62.300 0.037 0.000 1.052 178 V CB 1.954 33.800 31.823 0.038 0.000 1.123 178 V HN 0.265 nan 8.190 nan 0.000 0.454 179 K N 0.116 120.539 120.400 0.039 0.000 2.536 179 K HA 0.791 5.104 4.320 -0.012 0.000 0.269 179 K C -0.085 176.537 176.600 0.037 0.000 0.965 179 K CA 0.238 56.552 56.287 0.046 0.000 0.860 179 K CB 1.834 34.358 32.500 0.039 0.000 1.423 179 K HN 1.332 nan 8.250 nan 0.000 0.438 180 G N 1.201 110.025 108.800 0.040 0.000 2.549 180 G HA2 -0.154 3.798 3.960 -0.012 0.000 0.404 180 G HA3 -0.154 3.798 3.960 -0.012 0.000 0.404 180 G C -1.047 173.863 174.900 0.017 0.000 1.292 180 G CA -0.768 44.348 45.100 0.026 0.000 0.935 180 G HN 0.418 nan 8.290 nan 0.000 0.512 181 K N -0.957 119.451 120.400 0.012 0.000 2.399 181 K HA 0.622 4.935 4.320 -0.012 0.000 0.247 181 K C 1.570 178.186 176.600 0.027 0.000 1.036 181 K CA -0.308 55.984 56.287 0.009 0.000 0.977 181 K CB 1.187 33.694 32.500 0.012 0.000 1.272 181 K HN 0.275 nan 8.250 nan 0.000 0.501 182 V N 0.972 120.909 119.914 0.038 0.000 2.548 182 V HA -0.139 3.974 4.120 -0.012 0.000 0.249 182 V C 2.272 178.440 176.094 0.124 0.000 1.055 182 V CA 1.425 63.767 62.300 0.070 0.000 1.065 182 V CB -0.605 31.256 31.823 0.062 0.000 0.681 182 V HN 0.615 nan 8.190 nan 0.000 0.462 183 R N -0.120 120.458 120.500 0.129 0.000 2.091 183 R HA -0.210 4.122 4.340 -0.012 0.000 0.238 183 R C 2.457 178.763 176.300 0.010 0.000 1.136 183 R CA 1.948 58.141 56.100 0.155 0.000 0.959 183 R CB -0.238 30.125 30.300 0.105 0.000 0.856 183 R HN 0.644 nan 8.270 nan 0.000 0.437 184 E N 0.790 120.991 120.200 0.002 0.000 2.017 184 E HA -0.224 4.119 4.350 -0.012 0.000 0.193 184 E C 2.090 178.681 176.600 -0.014 0.000 0.997 184 E CA 1.076 57.459 56.400 -0.028 0.000 0.804 184 E CB -0.159 29.535 29.700 -0.010 0.000 0.757 184 E HN 0.286 nan 8.360 nan 0.000 0.448 185 L N 0.905 122.141 121.223 0.022 0.000 2.013 185 L HA -0.229 4.104 4.340 -0.012 0.000 0.212 185 L C 2.565 179.465 176.870 0.049 0.000 1.073 185 L CA 1.221 56.081 54.840 0.034 0.000 0.753 185 L CB -0.223 41.864 42.059 0.047 0.000 0.890 185 L HN 0.306 nan 8.230 nan 0.000 0.432 186 L N -0.855 120.426 121.223 0.097 0.000 2.275 186 L HA -0.191 4.142 4.340 -0.012 0.000 0.215 186 L C 2.639 179.557 176.870 0.080 0.000 1.119 186 L CA 0.666 55.605 54.840 0.165 0.000 0.790 186 L CB -0.613 41.669 42.059 0.373 0.000 0.919 186 L HN 0.249 nan 8.230 nan 0.000 0.443 187 K N 0.698 121.052 120.400 -0.078 0.000 1.991 187 K HA -0.142 4.171 4.320 -0.012 0.000 0.207 187 K C 2.034 178.594 176.600 -0.067 0.000 1.045 187 K CA 1.081 57.260 56.287 -0.180 0.000 0.937 187 K CB -0.210 32.144 32.500 -0.242 0.000 0.720 187 K HN 0.166 nan 8.250 nan 0.000 0.438 188 K N 0.979 121.354 120.400 -0.042 0.000 1.987 188 K HA -0.136 4.177 4.320 -0.012 0.000 0.216 188 K C 2.037 178.638 176.600 0.002 0.000 1.051 188 K CA 1.505 57.780 56.287 -0.019 0.000 0.942 188 K CB -0.199 32.295 32.500 -0.010 0.000 0.722 188 K HN -0.135 nan 8.250 nan 0.000 0.444 189 V N 1.954 121.879 119.914 0.019 0.000 2.828 189 V HA -0.175 3.938 4.120 -0.012 0.000 0.260 189 V C 0.956 177.077 176.094 0.045 0.000 1.101 189 V CA 1.066 63.386 62.300 0.033 0.000 1.123 189 V CB -0.698 31.153 31.823 0.046 0.000 0.704 189 V HN 0.464 nan 8.190 nan 0.000 0.493 190 D N 0.869 121.298 120.400 0.049 0.000 2.455 190 D HA -0.014 4.619 4.640 -0.012 0.000 0.241 190 D C 0.622 176.948 176.300 0.043 0.000 1.138 190 D CA 0.594 54.632 54.000 0.064 0.000 0.877 190 D CB 0.984 41.822 40.800 0.064 0.000 1.187 190 D HN 0.509 nan 8.370 nan 0.000 0.451 191 E N 1.668 121.900 120.200 0.053 0.000 2.703 191 E HA 0.074 4.417 4.350 -0.012 0.000 0.214 191 E C 0.530 177.157 176.600 0.045 0.000 0.944 191 E CA -0.026 56.398 56.400 0.039 0.000 1.299 191 E CB 1.058 30.777 29.700 0.033 0.000 1.189 191 E HN 0.257 nan 8.360 nan 0.000 0.597 192 V N -0.001 119.947 119.914 0.057 0.000 3.432 192 V HA 0.271 4.383 4.120 -0.012 0.000 0.298 192 V C 0.843 176.967 176.094 0.051 0.000 1.464 192 V CA 0.264 62.597 62.300 0.054 0.000 1.046 192 V CB 1.028 32.890 31.823 0.064 0.000 0.887 192 V HN 0.347 nan 8.190 nan 0.000 0.441 193 G N 2.371 111.206 108.800 0.059 0.000 2.438 193 G HA2 -0.252 3.701 3.960 -0.012 0.000 0.272 193 G HA3 -0.252 3.701 3.960 -0.012 0.000 0.272 193 G C 0.047 174.993 174.900 0.076 0.000 0.991 193 G CA 0.554 45.693 45.100 0.065 0.000 1.348 193 G HN 0.523 nan 8.290 nan 0.000 0.483 194 K N 0.639 121.103 120.400 0.106 0.000 3.017 194 K HA 0.117 4.429 4.320 -0.012 0.000 0.178 194 K C 1.109 177.781 176.600 0.121 0.000 1.103 194 K CA -0.612 55.728 56.287 0.089 0.000 1.084 194 K CB 0.074 32.605 32.500 0.052 0.000 0.711 194 K HN 0.282 nan 8.250 nan 0.000 0.416 195 F N 2.576 122.535 119.950 0.014 0.000 2.184 195 F HA -0.221 4.299 4.527 -0.012 0.000 0.301 195 F C 1.694 177.501 175.800 0.013 0.000 1.076 195 F CA 1.947 59.956 58.000 0.015 0.000 1.295 195 F CB 0.310 39.318 39.000 0.013 0.000 1.026 195 F HN 0.187 nan 8.300 nan 0.000 0.494 196 E N -0.420 119.760 120.200 -0.033 0.000 2.033 196 E HA -0.188 4.155 4.350 -0.012 0.000 0.189 196 E C 2.219 178.750 176.600 -0.115 0.000 0.979 196 E CA 0.871 57.198 56.400 -0.122 0.000 0.802 196 E CB -0.420 29.273 29.700 -0.012 0.000 0.763 196 E HN 0.458 nan 8.360 nan 0.000 0.449 197 E N 0.914 121.083 120.200 -0.052 0.000 2.033 197 E HA -0.212 4.131 4.350 -0.012 0.000 0.199 197 E C 2.238 178.800 176.600 -0.064 0.000 1.011 197 E CA 1.574 57.947 56.400 -0.045 0.000 0.815 197 E CB -0.008 29.680 29.700 -0.020 0.000 0.755 197 E HN 0.017 nan 8.360 nan 0.000 0.451 198 V N 0.931 120.808 119.914 -0.061 0.000 2.219 198 V HA -0.292 3.820 4.120 -0.012 0.000 0.248 198 V C 2.647 178.679 176.094 -0.103 0.000 1.053 198 V CA 1.895 64.159 62.300 -0.060 0.000 1.009 198 V CB -0.703 31.105 31.823 -0.023 0.000 0.636 198 V HN 0.193 nan 8.190 nan 0.000 0.445 199 V N -0.033 119.759 119.914 -0.203 0.000 2.546 199 V HA -0.311 3.802 4.120 -0.012 0.000 0.254 199 V C 2.358 178.352 176.094 -0.167 0.000 1.076 199 V CA 2.440 64.589 62.300 -0.252 0.000 1.087 199 V CB -0.758 30.741 31.823 -0.540 0.000 0.674 199 V HN 0.606 nan 8.190 nan 0.000 0.470 200 K N 0.583 120.901 120.400 -0.137 0.000 2.044 200 K HA -0.145 4.168 4.320 -0.012 0.000 0.204 200 K C 2.245 178.811 176.600 -0.057 0.000 1.045 200 K CA 1.256 57.490 56.287 -0.088 0.000 0.951 200 K CB -0.141 32.315 32.500 -0.073 0.000 0.738 200 K HN 0.684 nan 8.250 nan 0.000 0.443 201 E N 0.898 121.068 120.200 -0.050 0.000 2.160 201 E HA -0.204 4.139 4.350 -0.012 0.000 0.195 201 E C 1.610 178.195 176.600 -0.026 0.000 0.991 201 E CA 1.040 57.420 56.400 -0.033 0.000 0.810 201 E CB -0.298 29.383 29.700 -0.031 0.000 0.742 201 E HN 0.345 nan 8.360 nan 0.000 0.466 202 L N 1.123 122.326 121.223 -0.032 0.000 2.611 202 L HA 0.111 4.444 4.340 -0.012 0.000 0.229 202 L C -0.233 176.624 176.870 -0.022 0.000 1.137 202 L CA 0.002 54.831 54.840 -0.019 0.000 0.901 202 L CB -0.657 41.393 42.059 -0.014 0.000 1.098 202 L HN 0.069 nan 8.230 nan 0.000 0.456 203 E N 0.332 120.514 120.200 -0.031 0.000 2.183 203 E HA -0.244 4.098 4.350 -0.012 0.000 0.196 203 E C 0.579 177.160 176.600 -0.031 0.000 1.364 203 E CA 0.101 56.484 56.400 -0.028 0.000 0.700 203 E CB -1.526 28.167 29.700 -0.012 0.000 1.106 203 E HN 0.526 nan 8.360 nan 0.000 0.347 204 L N 0.199 121.390 121.223 -0.053 0.000 2.640 204 L HA 0.050 4.383 4.340 -0.012 0.000 0.230 204 L C 1.813 178.651 176.870 -0.054 0.000 1.123 204 L CA -0.041 54.768 54.840 -0.051 0.000 0.900 204 L CB 0.106 42.127 42.059 -0.062 0.000 1.146 204 L HN 0.104 nan 8.230 nan 0.000 0.484 205 E N 0.620 120.783 120.200 -0.060 0.000 2.136 205 E HA -0.265 4.078 4.350 -0.012 0.000 0.208 205 E C 1.688 178.278 176.600 -0.016 0.000 1.035 205 E CA 1.798 58.170 56.400 -0.046 0.000 0.838 205 E CB -0.169 29.510 29.700 -0.035 0.000 0.748 205 E HN 0.452 nan 8.360 nan 0.000 0.459 206 N N 0.076 118.769 118.700 -0.010 0.000 2.047 206 N HA -0.125 4.608 4.740 -0.012 0.000 0.193 206 N C 2.084 177.594 175.510 0.000 0.000 1.055 206 N CA 1.903 54.952 53.050 -0.001 0.000 0.847 206 N CB -0.766 37.721 38.487 -0.001 0.000 1.038 206 N HN 0.147 nan 8.380 nan 0.000 0.427 207 V N 1.905 121.816 119.914 -0.005 0.000 2.418 207 V HA -0.269 3.844 4.120 -0.012 0.000 0.258 207 V C 2.509 178.608 176.094 0.008 0.000 1.088 207 V CA 1.397 63.693 62.300 -0.006 0.000 1.091 207 V CB -1.333 30.485 31.823 -0.009 0.000 0.669 207 V HN 0.230 nan 8.190 nan 0.000 0.461 208 L N 0.096 121.333 121.223 0.023 0.000 2.082 208 L HA -0.312 4.020 4.340 -0.012 0.000 0.223 208 L C 2.190 179.095 176.870 0.059 0.000 1.086 208 L CA 2.263 57.141 54.840 0.064 0.000 0.793 208 L CB -0.777 41.336 42.059 0.091 0.000 0.896 208 L HN 0.403 nan 8.230 nan 0.000 0.441 209 D N -1.173 119.249 120.400 0.037 0.000 2.328 209 D HA 0.036 4.669 4.640 -0.012 0.000 0.226 209 D C 0.995 177.296 176.300 0.002 0.000 1.066 209 D CA 0.279 54.294 54.000 0.024 0.000 0.861 209 D CB 0.120 40.934 40.800 0.023 0.000 0.912 209 D HN 0.222 nan 8.370 nan 0.000 0.521 210 R N 0.646 121.139 120.500 -0.011 0.000 2.608 210 R HA 0.304 4.636 4.340 -0.012 0.000 0.255 210 R C -0.065 176.198 176.300 -0.063 0.000 1.086 210 R CA -0.430 55.643 56.100 -0.045 0.000 1.125 210 R CB 1.166 31.434 30.300 -0.054 0.000 1.193 210 R HN -0.084 nan 8.270 nan 0.000 0.553 211 E N 1.142 121.263 120.200 -0.132 0.000 2.222 211 E HA 0.121 4.463 4.350 -0.012 0.000 0.267 211 E C 1.197 177.690 176.600 -0.177 0.000 0.963 211 E CA -0.497 55.810 56.400 -0.154 0.000 0.837 211 E CB 1.597 31.171 29.700 -0.210 0.000 1.183 211 E HN 0.494 nan 8.360 nan 0.000 0.403 212 L N 0.841 122.016 121.223 -0.080 0.000 2.010 212 L HA -0.311 4.021 4.340 -0.012 0.000 0.219 212 L C 2.475 179.330 176.870 -0.026 0.000 1.077 212 L CA 2.139 56.963 54.840 -0.026 0.000 0.773 212 L CB -1.091 40.988 42.059 0.035 0.000 0.892 212 L HN 0.706 nan 8.230 nan 0.000 0.436 213 H N -1.095 117.976 119.070 0.002 0.000 2.524 213 H HA -0.073 4.476 4.556 -0.012 0.000 0.282 213 H C 1.729 177.050 175.328 -0.011 0.000 1.016 213 H CA 0.736 56.781 56.048 -0.004 0.000 1.270 213 H CB -0.355 29.407 29.762 -0.002 0.000 1.394 213 H HN 0.420 nan 8.280 nan 0.000 0.568 214 Q N 0.664 120.210 119.800 -0.423 0.000 2.320 214 Q HA 0.233 4.565 4.340 -0.012 0.000 0.201 214 Q C -0.219 175.711 176.000 -0.118 0.000 0.910 214 Q CA -0.172 55.485 55.803 -0.243 0.000 0.946 214 Q CB 0.488 29.034 28.738 -0.320 0.000 1.062 214 Q HN 0.498 nan 8.270 nan 0.000 0.503 215 L N 0.365 121.533 121.223 -0.092 0.000 2.399 215 L HA 0.307 4.640 4.340 -0.012 0.000 0.265 215 L C 0.741 177.567 176.870 -0.073 0.000 1.089 215 L CA -0.631 54.167 54.840 -0.070 0.000 0.802 215 L CB 1.219 43.244 42.059 -0.056 0.000 1.180 215 L HN 0.046 nan 8.230 nan 0.000 0.454 216 S N -0.029 115.618 115.700 -0.089 0.000 2.690 216 S HA 0.402 4.865 4.470 -0.012 0.000 0.285 216 S C 0.985 175.445 174.600 -0.234 0.000 1.135 216 S CA -0.135 57.986 58.200 -0.131 0.000 1.020 216 S CB 1.204 64.344 63.200 -0.100 0.000 1.159 216 S HN 0.728 nan 8.310 nan 0.000 0.534 217 G N 0.321 108.863 108.800 -0.430 0.000 2.433 217 G HA2 0.063 4.016 3.960 -0.012 0.000 0.216 217 G HA3 0.063 4.016 3.960 -0.012 0.000 0.216 217 G C 1.419 176.078 174.900 -0.403 0.000 1.186 217 G CA 0.642 45.163 45.100 -0.964 0.000 0.779 217 G HN 1.004 nan 8.290 nan 0.000 0.543 218 G N 0.862 109.570 108.800 -0.154 0.000 2.476 218 G HA2 -0.197 3.756 3.960 -0.012 0.000 0.218 218 G HA3 -0.197 3.756 3.960 -0.012 0.000 0.218 218 G C 1.648 176.544 174.900 -0.005 0.000 1.164 218 G CA 1.303 46.407 45.100 0.007 0.000 0.768 218 G HN 0.555 nan 8.290 nan 0.000 0.560 219 E N -0.111 120.065 120.200 -0.041 0.000 2.031 219 E HA -0.098 4.244 4.350 -0.012 0.000 0.193 219 E C 2.503 179.096 176.600 -0.010 0.000 0.994 219 E CA 0.737 57.123 56.400 -0.024 0.000 0.800 219 E CB -0.287 29.390 29.700 -0.037 0.000 0.752 219 E HN 0.269 nan 8.360 nan 0.000 0.447 220 L N 1.435 122.637 121.223 -0.035 0.000 2.013 220 L HA -0.290 4.043 4.340 -0.012 0.000 0.212 220 L C 2.631 179.529 176.870 0.047 0.000 1.073 220 L CA 1.913 56.750 54.840 -0.005 0.000 0.753 220 L CB -0.616 41.419 42.059 -0.039 0.000 0.890 220 L HN 0.107 nan 8.230 nan 0.000 0.432 221 Q N -0.304 119.541 119.800 0.075 0.000 2.014 221 Q HA -0.245 4.088 4.340 -0.012 0.000 0.207 221 Q C 2.381 178.441 176.000 0.100 0.000 0.993 221 Q CA 2.039 57.921 55.803 0.133 0.000 0.850 221 Q CB -0.250 28.602 28.738 0.190 0.000 0.916 221 Q HN 0.364 nan 8.270 nan 0.000 0.417 222 R N -0.903 119.641 120.500 0.073 0.000 2.105 222 R HA -0.103 4.230 4.340 -0.012 0.000 0.239 222 R C 2.275 178.611 176.300 0.061 0.000 1.135 222 R CA 1.425 57.562 56.100 0.060 0.000 0.967 222 R CB -0.411 29.910 30.300 0.035 0.000 0.861 222 R HN 0.198 nan 8.270 nan 0.000 0.442 223 V N 0.732 120.678 119.914 0.053 0.000 2.490 223 V HA -0.228 3.884 4.120 -0.012 0.000 0.250 223 V C 2.337 178.477 176.094 0.075 0.000 1.061 223 V CA 1.863 64.197 62.300 0.057 0.000 1.064 223 V CB -0.538 31.313 31.823 0.047 0.000 0.670 223 V HN 0.407 nan 8.190 nan 0.000 0.461 224 A N 0.272 123.143 122.820 0.085 0.000 1.872 224 A HA -0.101 4.212 4.320 -0.012 0.000 0.214 224 A C 2.119 179.777 177.584 0.125 0.000 1.187 224 A CA 1.420 53.513 52.037 0.094 0.000 0.614 224 A CB -0.402 18.655 19.000 0.096 0.000 0.826 224 A HN 0.377 nan 8.150 nan 0.000 0.442 225 I N 0.361 121.025 120.570 0.158 0.000 2.208 225 I HA -0.286 3.876 4.170 -0.012 0.000 0.245 225 I C 2.925 179.162 176.117 0.200 0.000 1.097 225 I CA 1.534 62.979 61.300 0.241 0.000 1.363 225 I CB -1.758 36.346 38.000 0.174 0.000 1.051 225 I HN 0.367 nan 8.210 nan 0.000 0.413 226 A N 1.289 124.183 122.820 0.124 0.000 1.851 226 A HA -0.175 4.138 4.320 -0.012 0.000 0.216 226 A C 2.591 180.243 177.584 0.114 0.000 1.195 226 A CA 2.493 54.588 52.037 0.097 0.000 0.622 226 A CB -1.084 17.956 19.000 0.067 0.000 0.831 226 A HN 0.425 nan 8.150 nan 0.000 0.444 227 A N -0.526 122.358 122.820 0.107 0.000 2.032 227 A HA 0.113 4.425 4.320 -0.012 0.000 0.221 227 A C 2.397 180.043 177.584 0.103 0.000 1.165 227 A CA 2.208 54.304 52.037 0.098 0.000 0.645 227 A CB -0.852 18.194 19.000 0.076 0.000 0.807 227 A HN 1.112 nan 8.150 nan 0.000 0.453 228 A N -0.425 122.468 122.820 0.121 0.000 1.897 228 A HA 0.102 4.415 4.320 -0.012 0.000 0.215 228 A C 2.037 179.768 177.584 0.246 0.000 1.181 228 A CA 1.232 53.350 52.037 0.134 0.000 0.620 228 A CB -0.436 18.598 19.000 0.056 0.000 0.821 228 A HN 0.460 nan 8.150 nan 0.000 0.443 229 L N -0.512 120.840 121.223 0.215 0.000 2.313 229 L HA -0.005 4.328 4.340 -0.012 0.000 0.214 229 L C 2.053 179.001 176.870 0.131 0.000 1.119 229 L CA 0.361 55.286 54.840 0.142 0.000 0.809 229 L CB -0.325 41.777 42.059 0.072 0.000 0.933 229 L HN 0.341 nan 8.230 nan 0.000 0.449 230 L N -0.881 120.424 121.223 0.135 0.000 2.395 230 L HA 0.004 4.336 4.340 -0.012 0.000 0.218 230 L C 1.021 177.965 176.870 0.123 0.000 1.130 230 L CA 0.061 54.974 54.840 0.121 0.000 0.826 230 L CB -0.235 41.898 42.059 0.123 0.000 0.941 230 L HN 0.163 nan 8.230 nan 0.000 0.451 231 R N 1.635 122.225 120.500 0.151 0.000 2.543 231 R HA 0.088 4.421 4.340 -0.012 0.000 0.277 231 R C 0.139 176.532 176.300 0.155 0.000 1.074 231 R CA 0.083 56.254 56.100 0.117 0.000 1.076 231 R CB 0.382 30.724 30.300 0.069 0.000 0.993 231 R HN -0.016 nan 8.270 nan 0.000 0.459 232 K N 2.215 122.662 120.400 0.078 0.000 2.244 232 K HA 0.447 4.759 4.320 -0.012 0.000 0.263 232 K C -0.980 175.627 176.600 0.012 0.000 1.103 232 K CA -0.151 56.184 56.287 0.080 0.000 0.966 232 K CB 0.395 32.923 32.500 0.047 0.000 1.429 232 K HN 0.653 nan 8.250 nan 0.000 0.434 233 A N 2.258 125.069 122.820 -0.015 0.000 2.681 233 A HA 0.352 4.665 4.320 -0.012 0.000 0.278 233 A C -0.393 177.133 177.584 -0.096 0.000 1.272 233 A CA -0.465 51.465 52.037 -0.178 0.000 0.750 233 A CB 0.799 19.520 19.000 -0.465 0.000 1.351 233 A HN 0.801 nan 8.150 nan 0.000 0.514 234 H N -2.108 116.759 119.070 -0.338 0.000 3.067 234 H HA 0.482 5.031 4.556 -0.012 0.000 0.241 234 H C -1.048 173.978 175.328 -0.503 0.000 0.961 234 H CA 0.035 55.881 56.048 -0.337 0.000 1.123 234 H CB 0.286 29.778 29.762 -0.450 0.000 1.448 234 H HN 0.337 nan 8.280 nan 0.000 0.457 235 F N 1.031 120.745 119.950 -0.395 0.000 2.427 235 F HA 0.407 4.927 4.527 -0.011 0.000 0.346 235 F C -1.124 174.192 175.800 -0.806 0.000 1.120 235 F CA -0.592 57.124 58.000 -0.473 0.000 1.033 235 F CB 0.921 39.628 39.000 -0.488 0.000 1.126 235 F HN -0.011 nan 8.300 nan 0.000 0.462 236 Y N 3.312 123.510 120.300 -0.170 0.000 2.338 236 Y HA 0.543 5.086 4.550 -0.012 0.000 0.333 236 Y C -1.113 174.858 175.900 0.117 0.000 0.968 236 Y CA -1.048 56.969 58.100 -0.138 0.000 1.123 236 Y CB 1.325 39.880 38.460 0.158 0.000 1.165 236 Y HN 0.292 nan 8.280 nan 0.000 0.452 237 F N 3.929 123.849 119.950 -0.049 0.000 2.403 237 F HA 0.434 4.954 4.527 -0.012 0.000 0.355 237 F C -1.047 174.640 175.800 -0.188 0.000 1.119 237 F CA -2.026 55.961 58.000 -0.021 0.000 1.007 237 F CB 0.354 39.335 39.000 -0.031 0.000 1.194 237 F HN 0.276 nan 8.300 nan 0.000 0.443 238 F N 2.036 122.122 119.950 0.227 0.000 2.361 238 F HA 0.274 4.794 4.527 -0.012 0.000 0.364 238 F C 0.504 176.338 175.800 0.058 0.000 1.120 238 F CA -0.861 57.211 58.000 0.119 0.000 1.102 238 F CB 0.785 39.836 39.000 0.085 0.000 1.183 238 F HN 0.259 nan 8.300 nan 0.000 0.476 239 D N 4.202 124.683 120.400 0.135 0.000 2.428 239 D HA 0.152 4.785 4.640 -0.012 0.000 0.221 239 D C 0.037 176.353 176.300 0.028 0.000 1.123 239 D CA 0.089 54.117 54.000 0.047 0.000 0.869 239 D CB 0.164 40.951 40.800 -0.022 0.000 1.032 239 D HN 0.706 nan 8.370 nan 0.000 0.506 240 E N 2.080 122.300 120.200 0.033 0.000 2.416 240 E HA -0.159 4.184 4.350 -0.012 0.000 0.249 240 E C -1.670 174.956 176.600 0.043 0.000 1.124 240 E CA 0.115 56.532 56.400 0.029 0.000 0.732 240 E CB -0.473 29.236 29.700 0.015 0.000 1.286 240 E HN 0.513 nan 8.360 nan 0.000 0.394 241 P HA -0.190 nan 4.420 nan 0.000 0.223 241 P C 1.347 178.677 177.300 0.049 0.000 1.144 241 P CA 1.163 64.320 63.100 0.095 0.000 0.783 241 P CB 0.267 32.035 31.700 0.113 0.000 0.771 242 S N -0.385 115.331 115.700 0.027 0.000 2.382 242 S HA -0.043 4.420 4.470 -0.012 0.000 0.228 242 S C 0.954 175.532 174.600 -0.036 0.000 1.027 242 S CA 0.335 58.541 58.200 0.010 0.000 0.991 242 S CB -0.889 62.324 63.200 0.021 0.000 0.823 242 S HN 0.183 nan 8.310 nan 0.000 0.469 243 S N 0.917 116.564 115.700 -0.089 0.000 2.573 243 S HA 0.054 4.517 4.470 -0.012 0.000 0.297 243 S C 0.102 174.603 174.600 -0.165 0.000 1.280 243 S CA 0.576 58.620 58.200 -0.261 0.000 1.061 243 S CB -0.510 62.455 63.200 -0.391 0.000 0.812 243 S HN 0.641 nan 8.310 nan 0.000 0.500 244 Y N -2.111 118.113 120.300 -0.128 0.000 4.916 244 Y HA -0.260 4.282 4.550 -0.012 0.000 0.247 244 Y C 0.376 176.200 175.900 -0.127 0.000 0.962 244 Y CA 0.063 58.088 58.100 -0.125 0.000 1.933 244 Y CB -1.635 36.785 38.460 -0.066 0.000 1.451 244 Y HN 0.476 nan 8.280 nan 0.000 0.539 245 L N 2.198 123.421 121.223 0.001 0.000 2.325 245 L HA 0.328 4.660 4.340 -0.012 0.000 0.279 245 L C 0.444 177.228 176.870 -0.144 0.000 1.054 245 L CA -0.769 54.052 54.840 -0.033 0.000 0.804 245 L CB 0.750 42.813 42.059 0.007 0.000 1.200 245 L HN 0.051 nan 8.230 nan 0.000 0.436 246 D N 1.318 121.626 120.400 -0.155 0.000 2.411 246 D HA 0.048 4.681 4.640 -0.012 0.000 0.251 246 D C 1.075 177.417 176.300 0.070 0.000 1.201 246 D CA -0.596 53.258 54.000 -0.242 0.000 0.996 246 D CB 0.937 41.671 40.800 -0.110 0.000 1.101 246 D HN 0.398 nan 8.370 nan 0.000 0.504 247 I N -0.195 120.572 120.570 0.328 0.000 2.147 247 I HA -0.340 3.823 4.170 -0.012 0.000 0.245 247 I C 2.240 178.530 176.117 0.288 0.000 1.059 247 I CA 1.918 63.358 61.300 0.234 0.000 1.320 247 I CB -0.292 37.721 38.000 0.021 0.000 1.021 247 I HN 0.502 nan 8.210 nan 0.000 0.415 248 R N -0.145 120.546 120.500 0.319 0.000 2.055 248 R HA -0.111 4.221 4.340 -0.012 0.000 0.228 248 R C 2.378 178.765 176.300 0.146 0.000 1.143 248 R CA 1.846 58.110 56.100 0.273 0.000 0.945 248 R CB -0.412 30.022 30.300 0.224 0.000 0.841 248 R HN 0.533 nan 8.270 nan 0.000 0.429 249 Q N 0.054 119.918 119.800 0.105 0.000 2.045 249 Q HA -0.274 4.059 4.340 -0.012 0.000 0.206 249 Q C 2.110 178.148 176.000 0.065 0.000 0.991 249 Q CA 2.291 58.133 55.803 0.064 0.000 0.851 249 Q CB -0.360 28.402 28.738 0.040 0.000 0.911 249 Q HN 0.413 nan 8.270 nan 0.000 0.418 250 R N 0.659 121.201 120.500 0.071 0.000 2.105 250 R HA -0.142 4.191 4.340 -0.012 0.000 0.239 250 R C 2.076 178.433 176.300 0.095 0.000 1.135 250 R CA 1.518 57.660 56.100 0.070 0.000 0.967 250 R CB -0.627 29.713 30.300 0.067 0.000 0.861 250 R HN 0.205 nan 8.270 nan 0.000 0.442 251 L N 0.700 121.995 121.223 0.120 0.000 2.109 251 L HA -0.036 4.297 4.340 -0.012 0.000 0.207 251 L C 2.430 179.360 176.870 0.100 0.000 1.086 251 L CA 1.408 56.320 54.840 0.121 0.000 0.760 251 L CB -0.254 41.885 42.059 0.132 0.000 0.910 251 L HN 0.227 nan 8.230 nan 0.000 0.437 252 K N -0.540 119.906 120.400 0.076 0.000 2.155 252 K HA -0.074 4.239 4.320 -0.012 0.000 0.203 252 K C 1.997 178.627 176.600 0.051 0.000 1.052 252 K CA 0.817 57.139 56.287 0.057 0.000 0.948 252 K CB 0.012 32.533 32.500 0.036 0.000 0.728 252 K HN 0.116 nan 8.250 nan 0.000 0.448 253 V N 1.285 121.222 119.914 0.039 0.000 2.453 253 V HA -0.179 3.934 4.120 -0.012 0.000 0.247 253 V C 2.317 178.392 176.094 -0.032 0.000 1.048 253 V CA 1.771 64.067 62.300 -0.007 0.000 1.049 253 V CB -0.487 31.327 31.823 -0.015 0.000 0.672 253 V HN 0.300 nan 8.190 nan 0.000 0.457 254 A N 0.365 123.206 122.820 0.035 0.000 1.917 254 A HA -0.295 4.018 4.320 -0.012 0.000 0.219 254 A C 2.434 180.002 177.584 -0.027 0.000 1.182 254 A CA 2.233 54.280 52.037 0.018 0.000 0.633 254 A CB -0.630 18.497 19.000 0.211 0.000 0.819 254 A HN 0.453 nan 8.150 nan 0.000 0.448 255 R N -0.293 120.298 120.500 0.151 0.000 2.091 255 R HA -0.110 4.222 4.340 -0.012 0.000 0.238 255 R C 1.970 178.248 176.300 -0.036 0.000 1.136 255 R CA 1.943 58.109 56.100 0.110 0.000 0.959 255 R CB -0.495 29.935 30.300 0.216 0.000 0.856 255 R HN 0.344 nan 8.270 nan 0.000 0.437 256 V N 1.367 121.254 119.914 -0.046 0.000 2.307 256 V HA -0.246 3.867 4.120 -0.012 0.000 0.245 256 V C 2.452 178.449 176.094 -0.162 0.000 1.045 256 V CA 1.789 64.036 62.300 -0.088 0.000 1.024 256 V CB -0.320 31.459 31.823 -0.074 0.000 0.651 256 V HN 0.312 nan 8.190 nan 0.000 0.449 257 I N -0.289 120.142 120.570 -0.232 0.000 2.163 257 I HA -0.255 3.908 4.170 -0.012 0.000 0.240 257 I C 2.733 178.676 176.117 -0.289 0.000 1.081 257 I CA 1.791 62.872 61.300 -0.366 0.000 1.353 257 I CB -0.497 37.163 38.000 -0.567 0.000 1.054 257 I HN 0.221 nan 8.210 nan 0.000 0.407 258 R N 1.398 121.744 120.500 -0.257 0.000 2.139 258 R HA -0.201 4.132 4.340 -0.012 0.000 0.243 258 R C 2.286 178.471 176.300 -0.191 0.000 1.145 258 R CA 1.506 57.462 56.100 -0.241 0.000 0.976 258 R CB -0.158 29.943 30.300 -0.331 0.000 0.866 258 R HN 0.287 nan 8.270 nan 0.000 0.449 259 R N 0.087 120.486 120.500 -0.169 0.000 2.293 259 R HA -0.080 4.253 4.340 -0.012 0.000 0.219 259 R C 2.110 178.328 176.300 -0.137 0.000 1.091 259 R CA 0.834 56.855 56.100 -0.132 0.000 1.004 259 R CB -0.185 30.051 30.300 -0.106 0.000 0.865 259 R HN 0.292 nan 8.270 nan 0.000 0.469 260 L N -0.180 120.937 121.223 -0.178 0.000 2.141 260 L HA -0.137 4.196 4.340 -0.012 0.000 0.209 260 L C 2.543 179.329 176.870 -0.139 0.000 1.094 260 L CA 1.011 55.730 54.840 -0.201 0.000 0.763 260 L CB -0.423 41.449 42.059 -0.311 0.000 0.908 260 L HN 0.244 nan 8.230 nan 0.000 0.437 261 A N -0.051 122.697 122.820 -0.121 0.000 1.933 261 A HA -0.217 4.096 4.320 -0.012 0.000 0.218 261 A C 2.089 179.629 177.584 -0.074 0.000 1.175 261 A CA 1.671 53.653 52.037 -0.091 0.000 0.628 261 A CB -0.544 18.402 19.000 -0.089 0.000 0.814 261 A HN 0.436 nan 8.150 nan 0.000 0.444 262 N N 0.208 118.860 118.700 -0.079 0.000 2.036 262 N HA -0.178 4.554 4.740 -0.012 0.000 0.195 262 N C 1.393 176.877 175.510 -0.043 0.000 1.037 262 N CA 1.742 54.757 53.050 -0.059 0.000 0.855 262 N CB -0.446 38.003 38.487 -0.062 0.000 1.033 262 N HN 0.648 nan 8.380 nan 0.000 0.423 263 E N 0.026 120.197 120.200 -0.048 0.000 2.501 263 E HA -0.033 4.310 4.350 -0.012 0.000 0.203 263 E C 0.792 177.390 176.600 -0.004 0.000 1.072 263 E CA 0.391 56.775 56.400 -0.026 0.000 0.885 263 E CB -0.213 29.469 29.700 -0.030 0.000 0.813 263 E HN 0.505 nan 8.360 nan 0.000 0.556 264 G N 1.594 110.384 108.800 -0.017 0.000 2.132 264 G HA2 -0.292 3.660 3.960 -0.012 0.000 0.228 264 G HA3 -0.292 3.660 3.960 -0.012 0.000 0.228 264 G C -0.105 174.792 174.900 -0.006 0.000 1.000 264 G CA 0.074 45.179 45.100 0.008 0.000 0.693 264 G HN 0.171 nan 8.290 nan 0.000 0.515 265 K N 0.022 120.358 120.400 -0.105 0.000 2.098 265 K HA 0.736 5.048 4.320 -0.012 0.000 0.258 265 K C 0.493 176.911 176.600 -0.304 0.000 0.973 265 K CA -0.054 56.035 56.287 -0.329 0.000 0.898 265 K CB 1.621 34.051 32.500 -0.116 0.000 1.057 265 K HN 0.494 nan 8.250 nan 0.000 0.447 266 A N 2.101 124.619 122.820 -0.504 0.000 2.302 266 A HA 0.376 4.689 4.320 -0.012 0.000 0.295 266 A C -0.446 177.200 177.584 0.103 0.000 1.235 266 A CA -0.516 51.427 52.037 -0.156 0.000 0.876 266 A CB 0.160 19.089 19.000 -0.119 0.000 1.133 266 A HN 0.395 nan 8.150 nan 0.000 0.533 267 V N 3.569 123.568 119.914 0.143 0.000 2.581 267 V HA 0.562 4.675 4.120 -0.012 0.000 0.303 267 V C -0.563 175.687 176.094 0.259 0.000 1.041 267 V CA -0.624 61.828 62.300 0.253 0.000 0.907 267 V CB 1.551 33.448 31.823 0.124 0.000 0.994 267 V HN 0.803 nan 8.190 nan 0.000 0.442 268 L N 4.915 126.366 121.223 0.380 0.000 2.410 268 L HA 0.829 5.162 4.340 -0.012 0.000 0.270 268 L C -0.981 176.024 176.870 0.225 0.000 0.983 268 L CA -0.307 54.648 54.840 0.193 0.000 0.822 268 L CB 1.880 43.908 42.059 -0.051 0.000 1.285 268 L HN 0.485 nan 8.230 nan 0.000 0.409 269 V N 5.798 125.777 119.914 0.107 0.000 2.686 269 V HA 0.645 4.758 4.120 -0.012 0.000 0.306 269 V C -1.244 174.863 176.094 0.022 0.000 1.065 269 V CA -0.472 61.893 62.300 0.108 0.000 0.894 269 V CB 2.512 34.374 31.823 0.066 0.000 1.004 269 V HN 0.516 nan 8.190 nan 0.000 0.424 270 V N 6.124 126.045 119.914 0.010 0.000 2.439 270 V HA 0.701 4.814 4.120 -0.012 0.000 0.282 270 V C -0.210 175.817 176.094 -0.111 0.000 1.039 270 V CA -0.311 61.945 62.300 -0.074 0.000 0.913 270 V CB 1.635 33.412 31.823 -0.078 0.000 0.983 270 V HN 0.882 nan 8.190 nan 0.000 0.460 271 E N 2.099 122.175 120.200 -0.207 0.000 2.356 271 E HA 0.452 4.794 4.350 -0.012 0.000 0.275 271 E C -0.458 175.946 176.600 -0.327 0.000 0.904 271 E CA -0.577 55.710 56.400 -0.189 0.000 0.757 271 E CB 1.910 31.561 29.700 -0.081 0.000 1.232 271 E HN 0.653 nan 8.360 nan 0.000 0.442 272 H N 0.077 119.123 119.070 -0.040 0.000 2.755 272 H HA 0.134 4.683 4.556 -0.013 0.000 0.273 272 H C -0.490 174.835 175.328 -0.006 0.000 1.055 272 H CA 0.010 56.038 56.048 -0.034 0.000 1.191 272 H CB 1.139 30.881 29.762 -0.032 0.000 1.536 272 H HN 0.250 nan 8.280 nan 0.000 0.529 273 D N 1.508 121.960 120.400 0.087 0.000 2.485 273 D HA 0.087 4.720 4.640 -0.012 0.000 0.221 273 D C 1.386 177.733 176.300 0.079 0.000 1.112 273 D CA -0.266 53.788 54.000 0.090 0.000 0.911 273 D CB 0.623 41.474 40.800 0.085 0.000 1.019 273 D HN 0.129 nan 8.370 nan 0.000 0.516 274 L N 2.559 123.835 121.223 0.088 0.000 2.051 274 L HA -0.268 4.065 4.340 -0.012 0.000 0.214 274 L C 2.458 179.400 176.870 0.120 0.000 1.076 274 L CA 1.701 56.590 54.840 0.082 0.000 0.758 274 L CB -0.442 41.696 42.059 0.133 0.000 0.890 274 L HN 0.385 nan 8.230 nan 0.000 0.433 275 A N -0.512 122.409 122.820 0.169 0.000 1.933 275 A HA -0.122 4.190 4.320 -0.012 0.000 0.218 275 A C 2.316 180.043 177.584 0.238 0.000 1.175 275 A CA 1.722 53.912 52.037 0.254 0.000 0.628 275 A CB -0.729 18.448 19.000 0.295 0.000 0.814 275 A HN 0.214 nan 8.150 nan 0.000 0.444 276 V N -0.441 119.581 119.914 0.180 0.000 2.515 276 V HA -0.192 3.920 4.120 -0.012 0.000 0.250 276 V C 2.454 178.620 176.094 0.119 0.000 1.058 276 V CA 1.784 64.184 62.300 0.166 0.000 1.064 276 V CB -0.648 31.245 31.823 0.115 0.000 0.675 276 V HN 0.593 nan 8.190 nan 0.000 0.461 277 L N 0.533 121.799 121.223 0.071 0.000 2.027 277 L HA -0.145 4.187 4.340 -0.012 0.000 0.206 277 L C 2.280 179.165 176.870 0.025 0.000 1.074 277 L CA 2.382 57.232 54.840 0.016 0.000 0.745 277 L CB -0.686 41.354 42.059 -0.031 0.000 0.898 277 L HN 0.383 nan 8.230 nan 0.000 0.433 278 D N -1.304 119.133 120.400 0.062 0.000 2.092 278 D HA -0.333 4.300 4.640 -0.012 0.000 0.193 278 D C 2.183 178.523 176.300 0.066 0.000 0.994 278 D CA 1.977 56.013 54.000 0.059 0.000 0.828 278 D CB -0.502 40.352 40.800 0.089 0.000 0.963 278 D HN 0.561 nan 8.370 nan 0.000 0.450 279 Y N 0.478 120.755 120.300 -0.038 0.000 2.128 279 Y HA -0.172 4.370 4.550 -0.012 0.000 0.284 279 Y C 2.473 178.334 175.900 -0.065 0.000 1.154 279 Y CA 1.256 59.311 58.100 -0.076 0.000 1.149 279 Y CB -0.133 38.288 38.460 -0.064 0.000 0.976 279 Y HN -0.007 nan 8.280 nan 0.000 0.505 280 L N -0.378 120.758 121.223 -0.145 0.000 1.948 280 L HA -0.183 4.150 4.340 -0.012 0.000 0.212 280 L C 1.152 177.913 176.870 -0.182 0.000 1.074 280 L CA 0.941 55.645 54.840 -0.228 0.000 0.753 280 L CB -0.758 41.233 42.059 -0.113 0.000 0.888 280 L HN 0.058 nan 8.230 nan 0.000 0.432 281 S N 0.365 116.007 115.700 -0.097 0.000 2.558 281 S HA -0.081 4.382 4.470 -0.012 0.000 0.288 281 S C 0.465 175.027 174.600 -0.064 0.000 1.318 281 S CA -0.272 57.890 58.200 -0.064 0.000 1.056 281 S CB 0.774 63.955 63.200 -0.032 0.000 0.853 281 S HN 0.260 nan 8.310 nan 0.000 0.505 282 D N 0.679 121.051 120.400 -0.047 0.000 2.431 282 D HA 0.164 4.796 4.640 -0.012 0.000 0.227 282 D C 0.259 176.548 176.300 -0.019 0.000 1.030 282 D CA 0.711 54.687 54.000 -0.039 0.000 0.897 282 D CB 0.494 41.271 40.800 -0.038 0.000 1.058 282 D HN 0.292 nan 8.370 nan 0.000 0.500 283 V N 1.025 120.937 119.914 -0.003 0.000 3.074 283 V HA 0.552 4.665 4.120 -0.012 0.000 0.314 283 V C -0.329 175.779 176.094 0.024 0.000 1.117 283 V CA -0.790 61.514 62.300 0.007 0.000 1.014 283 V CB 3.150 34.993 31.823 0.033 0.000 1.057 283 V HN -0.098 nan 8.190 nan 0.000 0.438 284 I N 0.779 121.352 120.570 0.004 0.000 2.827 284 I HA 0.486 4.649 4.170 -0.012 0.000 0.298 284 I C -1.563 174.543 176.117 -0.019 0.000 1.235 284 I CA -0.470 60.848 61.300 0.029 0.000 1.021 284 I CB 2.809 40.804 38.000 -0.008 0.000 1.259 284 I HN 0.698 nan 8.210 nan 0.000 0.427 285 H N 3.139 122.233 119.070 0.040 0.000 2.572 285 H HA 0.654 5.203 4.556 -0.012 0.000 0.359 285 H C -0.981 174.360 175.328 0.021 0.000 1.134 285 H CA -0.448 55.661 56.048 0.101 0.000 1.187 285 H CB 2.341 32.254 29.762 0.252 0.000 1.597 285 H HN 0.113 nan 8.280 nan 0.000 0.524 286 V N 3.363 123.362 119.914 0.143 0.000 2.581 286 V HA 0.396 4.509 4.120 -0.012 0.000 0.303 286 V C -0.506 175.590 176.094 0.004 0.000 1.041 286 V CA -0.764 61.562 62.300 0.043 0.000 0.907 286 V CB 1.975 33.872 31.823 0.123 0.000 0.994 286 V HN 0.481 nan 8.190 nan 0.000 0.442 287 V N 5.116 124.928 119.914 -0.171 0.000 2.444 287 V HA 0.534 4.646 4.120 -0.012 0.000 0.294 287 V C -0.939 175.031 176.094 -0.207 0.000 1.022 287 V CA -0.660 61.426 62.300 -0.357 0.000 0.850 287 V CB 1.241 32.700 31.823 -0.607 0.000 0.992 287 V HN 0.853 nan 8.190 nan 0.000 0.426 288 Y N 2.156 122.303 120.300 -0.255 0.000 2.562 288 Y HA 1.037 5.580 4.550 -0.011 0.000 0.343 288 Y C 0.260 176.038 175.900 -0.203 0.000 1.025 288 Y CA -1.075 56.871 58.100 -0.256 0.000 1.082 288 Y CB 1.978 40.322 38.460 -0.192 0.000 1.264 288 Y HN 0.999 nan 8.280 nan 0.000 0.478 289 G N 0.440 109.149 108.800 -0.152 0.000 2.361 289 G HA2 0.126 4.079 3.960 -0.012 0.000 0.331 289 G HA3 0.126 4.079 3.960 -0.012 0.000 0.331 289 G C -2.002 172.630 174.900 -0.447 0.000 1.324 289 G CA -1.053 43.701 45.100 -0.577 0.000 0.984 289 G HN 0.971 nan 8.290 nan 0.000 0.586 290 E N 0.690 120.532 120.200 -0.596 0.000 2.229 290 E HA 0.498 4.840 4.350 -0.012 0.000 0.283 290 E C -2.194 174.343 176.600 -0.106 0.000 1.030 290 E CA -1.880 54.416 56.400 -0.174 0.000 0.836 290 E CB 1.009 30.720 29.700 0.018 0.000 1.068 290 E HN 0.124 nan 8.360 nan 0.000 0.401 291 P HA -0.043 nan 4.420 nan 0.000 0.261 291 P C 0.396 177.717 177.300 0.035 0.000 1.173 291 P CA 1.395 64.485 63.100 -0.017 0.000 0.760 291 P CB 0.548 32.235 31.700 -0.021 0.000 0.783 292 G N 1.284 110.105 108.800 0.036 0.000 2.245 292 G HA2 -0.304 3.648 3.960 -0.012 0.000 0.264 292 G HA3 -0.304 3.648 3.960 -0.012 0.000 0.264 292 G C 0.805 175.913 174.900 0.347 0.000 0.985 292 G CA 0.452 45.607 45.100 0.093 0.000 0.625 292 G HN 0.421 nan 8.290 nan 0.000 0.536 293 V N -0.801 119.355 119.914 0.402 0.000 2.635 293 V HA 0.546 4.658 4.120 -0.012 0.000 0.233 293 V C 0.618 176.949 176.094 0.395 0.000 1.097 293 V CA 1.934 64.468 62.300 0.391 0.000 1.134 293 V CB -0.166 31.846 31.823 0.314 0.000 0.841 293 V HN 1.033 nan 8.190 nan 0.000 0.496 294 Y N -1.328 119.082 120.300 0.183 0.000 2.624 294 Y HA 0.814 5.356 4.550 -0.013 0.000 0.334 294 Y C -0.606 175.388 175.900 0.157 0.000 1.155 294 Y CA -0.750 57.267 58.100 -0.138 0.000 1.046 294 Y CB 1.274 39.713 38.460 -0.035 0.000 1.316 294 Y HN 0.151 nan 8.280 nan 0.000 0.457 295 G N 1.828 110.700 108.800 0.119 0.000 2.682 295 G HA2 0.685 4.637 3.960 -0.012 0.000 0.300 295 G HA3 0.685 4.637 3.960 -0.012 0.000 0.300 295 G C -2.062 172.890 174.900 0.086 0.000 1.391 295 G CA -1.093 44.034 45.100 0.045 0.000 0.990 295 G HN 0.762 nan 8.290 nan 0.000 0.501 296 I N 0.766 121.188 120.570 -0.247 0.000 2.499 296 I HA 0.365 4.528 4.170 -0.012 0.000 0.288 296 I C -1.003 174.888 176.117 -0.376 0.000 1.048 296 I CA -0.653 60.478 61.300 -0.280 0.000 1.062 296 I CB 2.346 39.974 38.000 -0.620 0.000 1.238 296 I HN 0.283 nan 8.210 nan 0.000 0.426 297 F N 4.030 123.952 119.950 -0.046 0.000 2.410 297 F HA 0.282 4.801 4.527 -0.014 0.000 0.348 297 F C 1.224 177.146 175.800 0.203 0.000 1.106 297 F CA 0.135 58.187 58.000 0.086 0.000 1.163 297 F CB 1.455 40.516 39.000 0.102 0.000 1.129 297 F HN 0.535 nan 8.300 nan 0.000 0.516 298 S N 3.518 119.495 115.700 0.460 0.000 2.655 298 S HA 0.443 4.906 4.470 -0.012 0.000 0.265 298 S C -0.189 174.583 174.600 0.287 0.000 1.240 298 S CA -1.035 57.400 58.200 0.391 0.000 0.986 298 S CB 0.740 64.119 63.200 0.298 0.000 0.985 298 S HN 0.564 nan 8.310 nan 0.000 0.562 299 K N 1.540 122.023 120.400 0.138 0.000 2.276 299 K HA 0.295 4.608 4.320 -0.012 0.000 0.259 299 K C -2.312 174.173 176.600 -0.192 0.000 1.001 299 K CA -1.612 54.702 56.287 0.045 0.000 0.927 299 K CB -0.154 32.369 32.500 0.037 0.000 0.969 299 K HN 0.532 nan 8.250 nan 0.000 0.490 300 P HA 0.021 nan 4.420 nan 0.000 0.268 300 P C -1.110 176.055 177.300 -0.226 0.000 1.205 300 P CA 0.286 63.081 63.100 -0.507 0.000 0.771 300 P CB 0.723 32.300 31.700 -0.205 0.000 0.858 301 K N 0.968 121.250 120.400 -0.197 0.000 2.400 301 K HA 0.576 4.889 4.320 -0.012 0.000 0.246 301 K C 0.281 176.851 176.600 -0.049 0.000 0.995 301 K CA -0.974 55.263 56.287 -0.083 0.000 0.840 301 K CB 1.909 34.379 32.500 -0.050 0.000 1.293 301 K HN 0.453 nan 8.250 nan 0.000 0.445 302 G N 0.416 109.203 108.800 -0.021 0.000 2.380 302 G HA2 0.067 4.020 3.960 -0.012 0.000 0.262 302 G HA3 0.067 4.020 3.960 -0.012 0.000 0.262 302 G C 0.749 175.646 174.900 -0.005 0.000 1.243 302 G CA -0.192 44.901 45.100 -0.011 0.000 0.865 302 G HN 0.568 nan 8.290 nan 0.000 0.513 303 T N 2.007 116.556 114.554 -0.008 0.000 2.602 303 T HA -0.323 4.020 4.350 -0.012 0.000 0.264 303 T C 2.411 177.118 174.700 0.011 0.000 1.085 303 T CA 1.758 63.856 62.100 -0.003 0.000 1.164 303 T CB -0.205 68.657 68.868 -0.010 0.000 0.860 303 T HN 0.581 nan 8.240 nan 0.000 0.442 304 R N 0.912 121.419 120.500 0.011 0.000 2.096 304 R HA -0.161 4.171 4.340 -0.012 0.000 0.229 304 R C 2.318 178.639 176.300 0.035 0.000 1.134 304 R CA 2.210 58.322 56.100 0.021 0.000 0.917 304 R CB -0.597 29.712 30.300 0.014 0.000 0.832 304 R HN 0.339 nan 8.270 nan 0.000 0.430 305 N N -0.309 118.410 118.700 0.031 0.000 2.018 305 N HA -0.153 4.579 4.740 -0.012 0.000 0.196 305 N C 1.750 177.297 175.510 0.062 0.000 1.043 305 N CA 1.758 54.833 53.050 0.043 0.000 0.856 305 N CB -1.018 37.488 38.487 0.031 0.000 1.042 305 N HN 0.476 nan 8.380 nan 0.000 0.423 306 G N 1.092 109.922 108.800 0.049 0.000 2.513 306 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.219 306 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.219 306 G C 1.504 176.478 174.900 0.123 0.000 1.160 306 G CA 0.914 46.053 45.100 0.065 0.000 0.767 306 G HN 0.331 nan 8.290 nan 0.000 0.571 307 I N 0.734 121.365 120.570 0.102 0.000 2.394 307 I HA -0.121 4.042 4.170 -0.012 0.000 0.251 307 I C 2.394 178.644 176.117 0.222 0.000 1.136 307 I CA 0.628 62.019 61.300 0.152 0.000 1.425 307 I CB -0.223 37.828 38.000 0.086 0.000 1.079 307 I HN 0.104 nan 8.210 nan 0.000 0.425 308 N N 1.012 119.802 118.700 0.151 0.000 2.135 308 N HA -0.136 4.597 4.740 -0.012 0.000 0.186 308 N C 1.660 177.263 175.510 0.155 0.000 1.027 308 N CA 1.159 54.291 53.050 0.137 0.000 0.849 308 N CB -0.220 38.320 38.487 0.088 0.000 1.002 308 N HN 0.420 nan 8.380 nan 0.000 0.425 309 E N -0.004 120.290 120.200 0.157 0.000 2.153 309 E HA -0.172 4.171 4.350 -0.012 0.000 0.194 309 E C 1.570 178.287 176.600 0.196 0.000 0.988 309 E CA 0.526 57.016 56.400 0.151 0.000 0.811 309 E CB -0.238 29.542 29.700 0.132 0.000 0.746 309 E HN 0.288 nan 8.360 nan 0.000 0.466 310 F N 1.724 121.769 119.950 0.157 0.000 2.102 310 F HA -0.159 4.360 4.527 -0.013 0.000 0.298 310 F C 1.968 177.913 175.800 0.241 0.000 1.105 310 F CA 1.254 59.417 58.000 0.272 0.000 1.239 310 F CB -0.211 38.900 39.000 0.185 0.000 0.991 310 F HN -0.107 nan 8.300 nan 0.000 0.474 311 L N 0.003 121.292 121.223 0.109 0.000 2.127 311 L HA -0.256 4.077 4.340 -0.012 0.000 0.211 311 L C 2.415 179.228 176.870 -0.096 0.000 1.089 311 L CA 1.497 56.348 54.840 0.018 0.000 0.757 311 L CB -0.812 41.367 42.059 0.200 0.000 0.899 311 L HN 0.301 nan 8.230 nan 0.000 0.434 312 Q N -0.223 119.535 119.800 -0.070 0.000 2.230 312 Q HA -0.013 4.320 4.340 -0.012 0.000 0.202 312 Q C 1.398 177.208 176.000 -0.317 0.000 0.963 312 Q CA 0.769 56.505 55.803 -0.112 0.000 0.866 312 Q CB 0.037 28.766 28.738 -0.014 0.000 0.931 312 Q HN 0.628 nan 8.270 nan 0.000 0.452 313 G N 1.071 109.515 108.800 -0.594 0.000 2.182 313 G HA2 -0.318 3.635 3.960 -0.012 0.000 0.248 313 G HA3 -0.318 3.635 3.960 -0.012 0.000 0.248 313 G C -0.673 173.666 174.900 -0.935 0.000 1.042 313 G CA 0.399 44.644 45.100 -1.425 0.000 0.775 313 G HN 0.418 nan 8.290 nan 0.000 0.501 314 Y N -0.307 119.678 120.300 -0.525 0.000 2.298 314 Y HA 0.563 5.106 4.550 -0.012 0.000 0.322 314 Y C -0.494 175.353 175.900 -0.088 0.000 1.138 314 Y CA -1.278 56.666 58.100 -0.260 0.000 1.127 314 Y CB 1.041 39.383 38.460 -0.198 0.000 1.178 314 Y HN 0.135 nan 8.280 nan 0.000 0.428 315 L N 8.150 129.029 121.223 -0.573 0.000 2.270 315 L HA 0.349 4.682 4.340 -0.012 0.000 0.286 315 L C 1.099 177.624 176.870 -0.575 0.000 1.059 315 L CA -0.403 54.210 54.840 -0.379 0.000 0.839 315 L CB 0.919 42.810 42.059 -0.280 0.000 1.221 315 L HN 0.770 nan 8.230 nan 0.000 0.431 316 K N 1.260 121.473 120.400 -0.310 0.000 2.000 316 K HA -0.224 4.089 4.320 -0.012 0.000 0.218 316 K C 1.144 177.687 176.600 -0.094 0.000 1.053 316 K CA 1.933 58.160 56.287 -0.100 0.000 0.946 316 K CB -0.015 32.552 32.500 0.112 0.000 0.723 316 K HN 0.623 nan 8.250 nan 0.000 0.446 317 D N 0.816 121.183 120.400 -0.056 0.000 2.103 317 D HA -0.170 4.462 4.640 -0.012 0.000 0.190 317 D C 1.996 178.266 176.300 -0.050 0.000 0.997 317 D CA 1.492 55.475 54.000 -0.028 0.000 0.833 317 D CB -0.239 40.556 40.800 -0.009 0.000 0.961 317 D HN 0.206 nan 8.370 nan 0.000 0.447 318 E N 0.487 120.636 120.200 -0.084 0.000 2.160 318 E HA -0.085 4.258 4.350 -0.012 0.000 0.195 318 E C 0.346 176.867 176.600 -0.131 0.000 0.991 318 E CA 0.215 56.568 56.400 -0.078 0.000 0.810 318 E CB -0.172 29.460 29.700 -0.112 0.000 0.742 318 E HN 0.169 nan 8.360 nan 0.000 0.466 319 N N -0.411 118.140 118.700 -0.248 0.000 2.725 319 N HA -0.144 4.589 4.740 -0.012 0.000 0.256 319 N C -1.644 173.708 175.510 -0.262 0.000 1.087 319 N CA 0.612 53.512 53.050 -0.251 0.000 0.690 319 N CB -0.975 37.487 38.487 -0.042 0.000 0.891 319 N HN -0.063 nan 8.380 nan 0.000 0.553 320 V N 0.821 120.438 119.914 -0.495 0.000 3.049 320 V HA 0.533 4.645 4.120 -0.012 0.000 0.309 320 V C 0.364 176.288 176.094 -0.283 0.000 1.148 320 V CA -0.881 61.242 62.300 -0.296 0.000 0.990 320 V CB 2.601 34.211 31.823 -0.356 0.000 1.039 320 V HN 0.279 nan 8.190 nan 0.000 0.430 321 R N 2.047 122.516 120.500 -0.052 0.000 2.358 321 R HA 0.407 4.740 4.340 -0.012 0.000 0.309 321 R C -0.091 176.176 176.300 -0.056 0.000 1.026 321 R CA -0.480 55.591 56.100 -0.048 0.000 0.909 321 R CB 0.693 31.032 30.300 0.066 0.000 1.153 321 R HN 0.805 nan 8.270 nan 0.000 0.515 322 F N 1.224 121.122 119.950 -0.088 0.000 2.732 322 F HA 0.428 4.947 4.527 -0.012 0.000 0.303 322 F C 0.049 175.783 175.800 -0.109 0.000 1.110 322 F CA -0.539 57.425 58.000 -0.061 0.000 1.355 322 F CB 0.294 39.273 39.000 -0.034 0.000 1.081 322 F HN 0.150 nan 8.300 nan 0.000 0.565 323 R N 1.675 121.937 120.500 -0.396 0.000 2.542 323 R HA 0.196 4.529 4.340 -0.012 0.000 0.284 323 R C -2.114 173.960 176.300 -0.377 0.000 1.167 323 R CA -1.530 54.325 56.100 -0.408 0.000 1.000 323 R CB 1.565 31.482 30.300 -0.639 0.000 1.229 323 R HN -0.172 nan 8.270 nan 0.000 0.416 324 P HA -0.205 nan 4.420 nan 0.000 0.217 324 P C 0.047 177.320 177.300 -0.044 0.000 1.158 324 P CA 1.555 64.615 63.100 -0.066 0.000 0.887 324 P CB -0.095 31.638 31.700 0.056 0.000 0.792 325 Y N -1.064 119.191 120.300 -0.076 0.000 2.419 325 Y HA 0.624 5.166 4.550 -0.012 0.000 0.328 325 Y C 0.558 176.396 175.900 -0.104 0.000 1.162 325 Y CA -1.567 56.492 58.100 -0.069 0.000 1.174 325 Y CB 0.612 39.046 38.460 -0.044 0.000 1.228 325 Y HN -0.135 nan 8.280 nan 0.000 0.473 326 E N 1.902 122.139 120.200 0.062 0.000 2.504 326 E HA 0.583 4.926 4.350 -0.012 0.000 0.253 326 E C -1.111 175.570 176.600 0.136 0.000 1.151 326 E CA -1.039 55.351 56.400 -0.016 0.000 0.972 326 E CB 1.706 31.409 29.700 0.005 0.000 1.247 326 E HN 0.626 nan 8.360 nan 0.000 0.519 327 I N 1.973 122.602 120.570 0.098 0.000 2.560 327 I HA 0.195 4.357 4.170 -0.012 0.000 0.278 327 I C -0.684 175.584 176.117 0.252 0.000 1.089 327 I CA -0.523 60.871 61.300 0.156 0.000 1.086 327 I CB 0.930 38.968 38.000 0.065 0.000 1.202 327 I HN 0.373 nan 8.210 nan 0.000 0.471 328 R N 4.614 125.273 120.500 0.265 0.000 2.460 328 R HA 0.630 4.962 4.340 -0.012 0.000 0.303 328 R C -1.582 174.914 176.300 0.326 0.000 0.968 328 R CA -0.526 55.767 56.100 0.321 0.000 0.889 328 R CB 1.639 32.058 30.300 0.198 0.000 1.123 328 R HN 0.067 nan 8.270 nan 0.000 0.455 329 F N 0.880 120.929 119.950 0.165 0.000 2.384 329 F HA 0.214 4.733 4.527 -0.013 0.000 0.338 329 F C 0.724 176.547 175.800 0.039 0.000 1.103 329 F CA -0.309 57.754 58.000 0.104 0.000 1.157 329 F CB 1.587 40.667 39.000 0.133 0.000 1.167 329 F HN 0.447 nan 8.300 nan 0.000 0.529 330 T N 3.879 118.497 114.554 0.107 0.000 2.738 330 T HA 0.056 4.398 4.350 -0.012 0.000 0.293 330 T C 1.346 176.103 174.700 0.096 0.000 0.913 330 T CA -0.523 61.616 62.100 0.065 0.000 1.103 330 T CB 0.709 69.573 68.868 -0.008 0.000 0.880 330 T HN 0.674 nan 8.240 nan 0.000 0.526 331 K N 2.702 123.155 120.400 0.088 0.000 2.023 331 K HA -0.255 4.057 4.320 -0.012 0.000 0.227 331 K C 1.224 177.862 176.600 0.064 0.000 1.054 331 K CA 2.543 58.874 56.287 0.074 0.000 0.977 331 K CB -0.084 32.446 32.500 0.050 0.000 0.733 331 K HN 0.502 nan 8.250 nan 0.000 0.451 332 L N -3.506 117.745 121.223 0.047 0.000 1.270 332 L HA -0.119 4.214 4.340 -0.012 0.000 0.127 332 L C 1.253 178.140 176.870 0.028 0.000 1.395 332 L CA 1.491 56.356 54.840 0.043 0.000 1.244 332 L CB -1.043 41.043 42.059 0.044 0.000 2.440 332 L HN 0.260 nan 8.230 nan 0.000 0.465 333 S N -0.709 115.004 115.700 0.022 0.000 2.561 333 S HA 0.081 4.543 4.470 -0.012 0.000 0.225 333 S C 1.326 175.932 174.600 0.011 0.000 0.977 333 S CA 0.980 59.188 58.200 0.013 0.000 0.926 333 S CB -0.123 63.083 63.200 0.010 0.000 0.769 333 S HN 0.641 nan 8.310 nan 0.000 0.533 334 E N 0.658 120.867 120.200 0.015 0.000 2.340 334 E HA 0.154 4.497 4.350 -0.012 0.000 0.194 334 E C 0.574 177.176 176.600 0.004 0.000 0.996 334 E CA -0.177 56.229 56.400 0.010 0.000 0.869 334 E CB 0.290 30.000 29.700 0.016 0.000 0.835 334 E HN 0.265 nan 8.360 nan 0.000 0.493 335 R N 0.686 121.190 120.500 0.007 0.000 2.861 335 R HA 0.062 4.395 4.340 -0.012 0.000 0.268 335 R C -0.270 176.029 176.300 -0.002 0.000 1.027 335 R CA 0.165 56.267 56.100 0.002 0.000 1.163 335 R CB 0.366 30.673 30.300 0.011 0.000 1.060 335 R HN -0.064 nan 8.270 nan 0.000 0.483 336 V N 2.437 122.347 119.914 -0.007 0.000 2.398 336 V HA 0.059 4.172 4.120 -0.012 0.000 0.286 336 V C -0.477 175.614 176.094 -0.006 0.000 1.026 336 V CA -0.714 61.581 62.300 -0.009 0.000 0.868 336 V CB 1.753 33.567 31.823 -0.015 0.000 0.982 336 V HN 0.550 nan 8.190 nan 0.000 0.443 337 D N 3.711 124.108 120.400 -0.005 0.000 2.342 337 D HA 0.309 4.941 4.640 -0.012 0.000 0.260 337 D C -0.376 175.920 176.300 -0.006 0.000 1.278 337 D CA 0.618 54.617 54.000 -0.003 0.000 0.910 337 D CB 1.343 42.142 40.800 -0.003 0.000 1.079 337 D HN 0.281 nan 8.370 nan 0.000 0.496 338 V N 2.871 122.781 119.914 -0.006 0.000 2.686 338 V HA 0.180 4.292 4.120 -0.012 0.000 0.306 338 V C -0.905 175.184 176.094 -0.008 0.000 1.065 338 V CA -0.725 61.570 62.300 -0.008 0.000 0.894 338 V CB 2.187 34.004 31.823 -0.010 0.000 1.004 338 V HN 0.297 nan 8.190 nan 0.000 0.424 339 E N 6.100 126.294 120.200 -0.010 0.000 1.963 339 E HA 0.343 4.686 4.350 -0.012 0.000 0.274 339 E C -0.144 176.448 176.600 -0.014 0.000 1.061 339 E CA -0.235 56.159 56.400 -0.011 0.000 0.847 339 E CB 0.739 30.432 29.700 -0.012 0.000 1.083 339 E HN 0.569 nan 8.360 nan 0.000 0.402 340 R N 1.552 122.044 120.500 -0.014 0.000 2.615 340 R HA 0.206 4.539 4.340 -0.012 0.000 0.270 340 R C 0.420 176.707 176.300 -0.022 0.000 1.081 340 R CA -0.201 55.889 56.100 -0.016 0.000 1.154 340 R CB 0.969 31.261 30.300 -0.014 0.000 1.063 340 R HN 0.385 nan 8.270 nan 0.000 0.519 341 E N 0.139 120.324 120.200 -0.025 0.000 2.280 341 E HA 0.165 4.508 4.350 -0.012 0.000 0.264 341 E C -0.590 175.984 176.600 -0.044 0.000 1.064 341 E CA -0.543 55.838 56.400 -0.033 0.000 0.900 341 E CB 1.173 30.854 29.700 -0.031 0.000 1.123 341 E HN 0.372 nan 8.360 nan 0.000 0.418 342 T N 1.834 116.355 114.554 -0.055 0.000 2.832 342 T HA 0.047 4.390 4.350 -0.012 0.000 0.296 342 T C 0.669 175.313 174.700 -0.093 0.000 0.968 342 T CA -0.366 61.688 62.100 -0.078 0.000 1.107 342 T CB 0.758 69.573 68.868 -0.087 0.000 0.916 342 T HN 0.291 nan 8.240 nan 0.000 0.517 343 L N 5.595 126.748 121.223 -0.116 0.000 2.130 343 L HA 0.512 4.845 4.340 -0.012 0.000 0.200 343 L C 0.494 177.229 176.870 -0.225 0.000 1.075 343 L CA 1.378 56.136 54.840 -0.137 0.000 0.768 343 L CB 0.068 42.052 42.059 -0.125 0.000 0.933 343 L HN 0.502 nan 8.230 nan 0.000 0.451 344 V N -1.148 118.569 119.914 -0.327 0.000 3.226 344 V HA 0.505 4.618 4.120 -0.012 0.000 0.304 344 V C -1.661 174.179 176.094 -0.423 0.000 1.336 344 V CA -0.655 61.331 62.300 -0.525 0.000 1.066 344 V CB 2.147 33.300 31.823 -1.116 0.000 1.087 344 V HN 0.376 nan 8.190 nan 0.000 0.451 345 E N 0.989 120.960 120.200 -0.381 0.000 2.340 345 E HA 0.641 4.983 4.350 -0.012 0.000 0.273 345 E C -2.226 174.423 176.600 0.082 0.000 0.891 345 E CA -0.687 55.606 56.400 -0.178 0.000 0.757 345 E CB 2.323 31.943 29.700 -0.133 0.000 1.231 345 E HN 0.756 nan 8.360 nan 0.000 0.439 346 Y N 1.405 121.801 120.300 0.160 0.000 2.361 346 Y HA 0.652 5.195 4.550 -0.012 0.000 0.337 346 Y C -2.806 173.202 175.900 0.179 0.000 0.965 346 Y CA -2.894 55.389 58.100 0.304 0.000 1.091 346 Y CB 0.936 39.664 38.460 0.448 0.000 1.182 346 Y HN 0.250 nan 8.280 nan 0.000 0.450 347 P HA 0.169 nan 4.420 nan 0.000 0.279 347 P C -0.617 176.816 177.300 0.221 0.000 1.282 347 P CA -0.690 62.510 63.100 0.167 0.000 0.788 347 P CB 1.198 32.977 31.700 0.131 0.000 1.139 348 R N 0.617 121.192 120.500 0.125 0.000 2.538 348 R HA 0.175 4.508 4.340 -0.012 0.000 0.282 348 R C -0.584 175.781 176.300 0.109 0.000 1.009 348 R CA 0.227 56.391 56.100 0.108 0.000 1.063 348 R CB -0.431 29.895 30.300 0.045 0.000 0.945 348 R HN 0.428 nan 8.270 nan 0.000 0.414 349 L N 4.060 125.347 121.223 0.106 0.000 2.323 349 L HA 0.644 4.977 4.340 -0.012 0.000 0.265 349 L C -0.897 175.985 176.870 0.020 0.000 1.012 349 L CA -1.284 53.599 54.840 0.073 0.000 0.820 349 L CB 2.397 44.522 42.059 0.110 0.000 1.334 349 L HN 0.385 nan 8.230 nan 0.000 0.427 350 V N 1.659 121.571 119.914 -0.003 0.000 2.697 350 V HA 0.335 4.448 4.120 -0.012 0.000 0.300 350 V C -0.923 175.133 176.094 -0.064 0.000 1.115 350 V CA -0.691 61.586 62.300 -0.038 0.000 0.912 350 V CB 2.126 33.921 31.823 -0.046 0.000 1.024 350 V HN 0.593 nan 8.190 nan 0.000 0.431 351 K N 3.171 123.513 120.400 -0.096 0.000 2.358 351 K HA 0.611 4.924 4.320 -0.012 0.000 0.260 351 K C -1.210 175.239 176.600 -0.252 0.000 0.956 351 K CA -0.277 55.899 56.287 -0.185 0.000 0.834 351 K CB 1.412 33.786 32.500 -0.209 0.000 1.102 351 K HN 0.627 nan 8.250 nan 0.000 0.431 352 D N 4.065 124.320 120.400 -0.242 0.000 2.471 352 D HA 0.152 4.785 4.640 -0.012 0.000 0.245 352 D C -0.325 175.910 176.300 -0.107 0.000 1.116 352 D CA -0.275 53.628 54.000 -0.161 0.000 0.853 352 D CB 0.568 41.319 40.800 -0.083 0.000 1.123 352 D HN 0.635 nan 8.370 nan 0.000 0.540 353 Y N 1.888 122.258 120.300 0.116 0.000 2.490 353 Y HA 0.167 4.710 4.550 -0.012 0.000 0.281 353 Y C 2.077 178.032 175.900 0.092 0.000 1.174 353 Y CA 0.305 58.478 58.100 0.122 0.000 1.295 353 Y CB 0.831 39.403 38.460 0.187 0.000 1.062 353 Y HN 0.711 nan 8.280 nan 0.000 0.522 354 G N -0.191 108.724 108.800 0.192 0.000 2.527 354 G HA2 -0.400 3.553 3.960 -0.012 0.000 0.218 354 G HA3 -0.400 3.553 3.960 -0.012 0.000 0.218 354 G C 1.266 176.249 174.900 0.138 0.000 1.177 354 G CA 0.624 45.801 45.100 0.129 0.000 0.695 354 G HN 0.422 nan 8.290 nan 0.000 0.517 355 S N -0.874 114.947 115.700 0.201 0.000 2.535 355 S HA 0.650 5.113 4.470 -0.012 0.000 0.214 355 S C 0.191 174.972 174.600 0.301 0.000 0.980 355 S CA 0.754 59.071 58.200 0.196 0.000 0.907 355 S CB 0.423 63.719 63.200 0.160 0.000 0.790 355 S HN 1.495 nan 8.310 nan 0.000 0.510 356 F N 1.283 121.339 119.950 0.177 0.000 2.605 356 F HA 0.624 5.144 4.527 -0.012 0.000 0.320 356 F C -1.192 174.704 175.800 0.161 0.000 1.159 356 F CA -0.864 57.249 58.000 0.189 0.000 0.999 356 F CB 1.452 40.593 39.000 0.236 0.000 1.258 356 F HN -0.093 nan 8.300 nan 0.000 0.464 357 K N 6.217 126.156 120.400 -0.768 0.000 2.292 357 K HA 0.721 5.034 4.320 -0.012 0.000 0.257 357 K C -2.120 174.028 176.600 -0.752 0.000 0.940 357 K CA -0.914 55.026 56.287 -0.579 0.000 0.811 357 K CB 1.800 34.139 32.500 -0.269 0.000 1.120 357 K HN 0.724 nan 8.250 nan 0.000 0.428 358 L N 2.806 123.795 121.223 -0.390 0.000 2.362 358 L HA 0.485 4.818 4.340 -0.012 0.000 0.271 358 L C -1.455 175.353 176.870 -0.103 0.000 1.002 358 L CA 0.055 54.799 54.840 -0.160 0.000 0.818 358 L CB 1.875 43.995 42.059 0.100 0.000 1.298 358 L HN 0.700 nan 8.230 nan 0.000 0.420 359 E N 3.876 124.019 120.200 -0.096 0.000 2.248 359 E HA 0.568 4.911 4.350 -0.012 0.000 0.267 359 E C -1.481 175.037 176.600 -0.138 0.000 0.877 359 E CA -0.960 55.384 56.400 -0.092 0.000 0.759 359 E CB 2.707 32.355 29.700 -0.085 0.000 1.182 359 E HN 0.379 nan 8.360 nan 0.000 0.418 360 V N 3.125 122.978 119.914 -0.102 0.000 2.409 360 V HA 0.141 4.254 4.120 -0.012 0.000 0.291 360 V C 0.058 176.139 176.094 -0.023 0.000 1.020 360 V CA -0.889 61.321 62.300 -0.150 0.000 0.848 360 V CB 1.435 33.198 31.823 -0.099 0.000 0.990 360 V HN 0.594 nan 8.190 nan 0.000 0.430 361 E N 5.263 125.427 120.200 -0.059 0.000 2.392 361 E HA 0.207 4.549 4.350 -0.012 0.000 0.264 361 E C -2.388 174.272 176.600 0.100 0.000 1.024 361 E CA -1.797 54.602 56.400 -0.003 0.000 0.903 361 E CB 0.548 30.216 29.700 -0.052 0.000 0.963 361 E HN 0.403 nan 8.360 nan 0.000 0.432 362 P HA 0.093 nan 4.420 nan 0.000 0.266 362 P C -0.318 176.835 177.300 -0.244 0.000 1.195 362 P CA 0.304 63.373 63.100 -0.052 0.000 0.768 362 P CB 0.625 32.293 31.700 -0.053 0.000 0.838 363 G N 0.710 109.068 108.800 -0.737 0.000 2.677 363 G HA2 0.464 4.417 3.960 -0.012 0.000 0.291 363 G HA3 0.464 4.417 3.960 -0.012 0.000 0.291 363 G C -1.914 172.525 174.900 -0.769 0.000 1.435 363 G CA -0.445 44.197 45.100 -0.764 0.000 0.826 363 G HN 0.482 nan 8.290 nan 0.000 0.491 364 E N 0.282 120.270 120.200 -0.353 0.000 2.191 364 E HA 0.560 4.903 4.350 -0.012 0.000 0.274 364 E C -0.791 175.752 176.600 -0.095 0.000 0.948 364 E CA -0.797 55.474 56.400 -0.215 0.000 0.802 364 E CB 1.372 30.990 29.700 -0.138 0.000 1.137 364 E HN 0.227 nan 8.360 nan 0.000 0.397 365 I N 4.126 124.647 120.570 -0.082 0.000 2.406 365 I HA 0.366 4.529 4.170 -0.012 0.000 0.290 365 I C 0.080 176.158 176.117 -0.065 0.000 0.999 365 I CA -0.632 60.652 61.300 -0.026 0.000 1.124 365 I CB 1.451 39.422 38.000 -0.049 0.000 1.289 365 I HN 0.562 nan 8.210 nan 0.000 0.441 366 R N 3.700 124.182 120.500 -0.030 0.000 2.540 366 R HA 0.399 4.732 4.340 -0.012 0.000 0.287 366 R C -0.151 176.136 176.300 -0.022 0.000 0.980 366 R CA -0.938 55.141 56.100 -0.034 0.000 0.966 366 R CB 1.866 32.154 30.300 -0.020 0.000 1.106 366 R HN 0.416 nan 8.270 nan 0.000 0.480 367 K N 0.781 121.165 120.400 -0.027 0.000 2.379 367 K HA 0.123 4.435 4.320 -0.012 0.000 0.284 367 K C 0.502 177.103 176.600 0.002 0.000 1.044 367 K CA 0.955 57.235 56.287 -0.012 0.000 0.974 367 K CB 0.458 32.947 32.500 -0.017 0.000 0.962 367 K HN 0.805 nan 8.250 nan 0.000 0.474 368 G N 2.666 111.477 108.800 0.018 0.000 2.157 368 G HA2 -0.278 3.675 3.960 -0.012 0.000 0.248 368 G HA3 -0.278 3.675 3.960 -0.012 0.000 0.248 368 G C -0.143 174.768 174.900 0.017 0.000 0.979 368 G CA 0.586 45.697 45.100 0.019 0.000 0.650 368 G HN 0.735 nan 8.290 nan 0.000 0.529 369 E N -0.959 119.254 120.200 0.022 0.000 2.285 369 E HA 0.774 5.117 4.350 -0.012 0.000 0.254 369 E C -0.889 175.733 176.600 0.037 0.000 1.011 369 E CA -1.110 55.304 56.400 0.023 0.000 0.873 369 E CB 2.346 32.059 29.700 0.020 0.000 1.229 369 E HN 0.368 nan 8.360 nan 0.000 0.422 370 V N 1.686 121.621 119.914 0.035 0.000 2.524 370 V HA 0.323 4.436 4.120 -0.012 0.000 0.297 370 V C -0.626 175.497 176.094 0.050 0.000 1.035 370 V CA -0.536 61.791 62.300 0.046 0.000 0.867 370 V CB 1.252 33.095 31.823 0.033 0.000 1.004 370 V HN 0.579 nan 8.190 nan 0.000 0.426 371 I N 3.963 124.574 120.570 0.069 0.000 2.354 371 I HA 0.623 4.786 4.170 -0.012 0.000 0.292 371 I C 0.874 177.035 176.117 0.073 0.000 0.989 371 I CA -0.266 61.081 61.300 0.078 0.000 1.188 371 I CB 1.819 39.890 38.000 0.119 0.000 1.342 371 I HN 0.685 nan 8.210 nan 0.000 0.457 372 G N 6.457 115.285 108.800 0.047 0.000 2.348 372 G HA2 0.655 4.607 3.960 -0.012 0.000 0.312 372 G HA3 0.655 4.607 3.960 -0.012 0.000 0.312 372 G C -0.892 174.023 174.900 0.025 0.000 1.126 372 G CA -0.330 44.782 45.100 0.019 0.000 0.865 372 G HN 0.319 nan 8.290 nan 0.000 0.474 373 I N 1.594 122.171 120.570 0.013 0.000 2.377 373 I HA 0.490 4.653 4.170 -0.012 0.000 0.293 373 I C 0.271 176.306 176.117 -0.137 0.000 0.987 373 I CA -0.865 60.456 61.300 0.034 0.000 1.185 373 I CB 1.822 39.892 38.000 0.116 0.000 1.341 373 I HN 0.407 nan 8.210 nan 0.000 0.455 374 V N 2.881 122.708 119.914 -0.144 0.000 2.925 374 V HA 1.119 5.232 4.120 -0.012 0.000 0.311 374 V C -0.348 175.593 176.094 -0.255 0.000 1.104 374 V CA -0.408 61.688 62.300 -0.341 0.000 0.954 374 V CB 1.503 33.017 31.823 -0.516 0.000 1.022 374 V HN 1.078 nan 8.190 nan 0.000 0.427 375 G N 2.323 110.942 108.800 -0.303 0.000 2.340 375 G HA2 0.504 4.457 3.960 -0.012 0.000 0.300 375 G HA3 0.504 4.457 3.960 -0.012 0.000 0.300 375 G C -3.562 171.353 174.900 0.024 0.000 1.488 375 G CA -0.265 44.808 45.100 -0.045 0.000 0.878 375 G HN 0.799 nan 8.290 nan 0.000 0.618 376 P HA 0.147 nan 4.420 nan 0.000 0.269 376 P C -0.383 176.975 177.300 0.096 0.000 1.215 376 P CA -0.303 62.885 63.100 0.146 0.000 0.780 376 P CB 0.749 32.532 31.700 0.139 0.000 0.898 377 N N 0.319 119.074 118.700 0.092 0.000 2.444 377 N HA 0.228 4.961 4.740 -0.012 0.000 0.255 377 N C 1.481 176.996 175.510 0.007 0.000 1.255 377 N CA 1.053 54.132 53.050 0.047 0.000 0.933 377 N CB -0.323 38.176 38.487 0.019 0.000 1.143 377 N HN 0.769 nan 8.380 nan 0.000 0.453 378 G N -0.038 108.740 108.800 -0.038 0.000 2.136 378 G HA2 -0.260 3.693 3.960 -0.012 0.000 0.242 378 G HA3 -0.260 3.693 3.960 -0.012 0.000 0.242 378 G C 0.558 175.399 174.900 -0.098 0.000 0.989 378 G CA 0.091 45.118 45.100 -0.122 0.000 0.682 378 G HN 0.522 nan 8.290 nan 0.000 0.522 379 I N -0.211 120.370 120.570 0.018 0.000 4.070 379 I HA 0.503 4.666 4.170 -0.012 0.000 0.328 379 I C 1.865 178.236 176.117 0.423 0.000 1.298 379 I CA 1.248 62.684 61.300 0.227 0.000 1.173 379 I CB 0.500 38.614 38.000 0.189 0.000 1.051 379 I HN 1.179 nan 8.210 nan 0.000 0.409 380 G N 0.474 109.400 108.800 0.210 0.000 2.159 380 G HA2 -0.222 3.731 3.960 -0.012 0.000 0.170 380 G HA3 -0.222 3.731 3.960 -0.012 0.000 0.170 380 G C 1.178 176.205 174.900 0.212 0.000 1.007 380 G CA 0.294 45.614 45.100 0.366 0.000 0.672 380 G HN 0.309 nan 8.290 nan 0.000 0.507 381 K N -0.196 120.060 120.400 -0.239 0.000 2.002 381 K HA -0.042 4.270 4.320 -0.012 0.000 0.209 381 K C 2.526 179.143 176.600 0.029 0.000 1.048 381 K CA 1.832 57.869 56.287 -0.418 0.000 0.930 381 K CB -0.338 31.822 32.500 -0.566 0.000 0.714 381 K HN 0.263 nan 8.250 nan 0.000 0.438 382 T N 0.999 115.585 114.554 0.052 0.000 2.746 382 T HA -0.117 4.226 4.350 -0.012 0.000 0.267 382 T C 1.920 176.718 174.700 0.164 0.000 1.039 382 T CA 1.797 63.969 62.100 0.120 0.000 1.142 382 T CB -0.376 68.587 68.868 0.159 0.000 0.866 382 T HN 0.303 nan 8.240 nan 0.000 0.444 383 T N 2.204 116.891 114.554 0.222 0.000 2.665 383 T HA -0.134 4.209 4.350 -0.012 0.000 0.268 383 T C 1.520 176.361 174.700 0.234 0.000 1.035 383 T CA 1.267 63.524 62.100 0.262 0.000 1.151 383 T CB -0.593 68.487 68.868 0.352 0.000 0.862 383 T HN 0.309 nan 8.240 nan 0.000 0.438 384 F N 2.301 122.326 119.950 0.126 0.000 2.043 384 F HA -0.180 4.340 4.527 -0.012 0.000 0.297 384 F C 2.355 178.143 175.800 -0.021 0.000 1.121 384 F CA 0.772 58.823 58.000 0.085 0.000 1.199 384 F CB -1.069 38.081 39.000 0.250 0.000 0.968 384 F HN -0.054 nan 8.300 nan 0.000 0.478 385 V N 0.900 120.729 119.914 -0.143 0.000 2.282 385 V HA -0.370 3.743 4.120 -0.012 0.000 0.249 385 V C 2.400 178.257 176.094 -0.395 0.000 1.057 385 V CA 2.479 64.570 62.300 -0.349 0.000 1.032 385 V CB -0.851 30.861 31.823 -0.185 0.000 0.645 385 V HN 0.322 nan 8.190 nan 0.000 0.447 386 K N -0.846 119.424 120.400 -0.217 0.000 2.280 386 K HA -0.103 4.210 4.320 -0.012 0.000 0.202 386 K C 2.047 178.524 176.600 -0.205 0.000 1.047 386 K CA 1.349 57.523 56.287 -0.188 0.000 0.942 386 K CB -0.218 32.287 32.500 0.009 0.000 0.739 386 K HN 0.444 nan 8.250 nan 0.000 0.457 387 M N -0.155 119.311 119.600 -0.223 0.000 2.334 387 M HA -0.077 4.395 4.480 -0.012 0.000 0.266 387 M C 1.444 177.498 176.300 -0.411 0.000 1.082 387 M CA 0.986 56.139 55.300 -0.245 0.000 1.141 387 M CB 0.118 32.621 32.600 -0.162 0.000 1.380 387 M HN 0.015 nan 8.290 nan 0.000 0.440 388 L N -0.329 120.583 121.223 -0.519 0.000 2.240 388 L HA 0.038 4.371 4.340 -0.012 0.000 0.211 388 L C 2.503 179.085 176.870 -0.480 0.000 1.106 388 L CA 1.273 55.747 54.840 -0.609 0.000 0.793 388 L CB -1.001 40.765 42.059 -0.488 0.000 0.927 388 L HN 0.192 nan 8.230 nan 0.000 0.446 389 A N -1.136 121.426 122.820 -0.430 0.000 2.072 389 A HA 0.345 4.658 4.320 -0.012 0.000 0.216 389 A C 1.946 179.383 177.584 -0.245 0.000 1.156 389 A CA 0.947 52.767 52.037 -0.363 0.000 0.701 389 A CB -0.510 18.137 19.000 -0.590 0.000 0.816 389 A HN 0.486 nan 8.150 nan 0.000 0.458 390 G N -1.461 107.180 108.800 -0.266 0.000 2.176 390 G HA2 -0.247 3.706 3.960 -0.012 0.000 0.253 390 G HA3 -0.247 3.706 3.960 -0.012 0.000 0.253 390 G C 1.094 175.930 174.900 -0.107 0.000 0.979 390 G CA 0.824 45.805 45.100 -0.198 0.000 0.641 390 G HN 1.656 nan 8.290 nan 0.000 0.530 391 V N -1.208 118.659 119.914 -0.077 0.000 3.573 391 V HA 0.641 4.753 4.120 -0.012 0.000 0.270 391 V C 0.313 176.411 176.094 0.007 0.000 1.221 391 V CA 1.599 63.899 62.300 -0.000 0.000 1.163 391 V CB 0.425 32.297 31.823 0.081 0.000 0.847 391 V HN 0.440 nan 8.190 nan 0.000 0.468 392 E N 1.024 121.206 120.200 -0.030 0.000 2.274 392 E HA 0.344 4.687 4.350 -0.012 0.000 0.269 392 E C -0.609 175.969 176.600 -0.036 0.000 0.891 392 E CA -0.413 55.986 56.400 -0.002 0.000 0.784 392 E CB 1.624 31.340 29.700 0.027 0.000 1.225 392 E HN 0.607 nan 8.360 nan 0.000 0.412 393 E N 4.985 125.174 120.200 -0.017 0.000 2.289 393 E HA 0.338 4.681 4.350 -0.012 0.000 0.278 393 E C -2.095 174.483 176.600 -0.037 0.000 1.032 393 E CA -1.869 54.511 56.400 -0.033 0.000 0.854 393 E CB 0.743 30.433 29.700 -0.017 0.000 1.046 393 E HN 0.234 nan 8.360 nan 0.000 0.409 394 P HA 0.076 nan 4.420 nan 0.000 0.274 394 P C -0.074 177.200 177.300 -0.044 0.000 1.231 394 P CA -0.322 62.749 63.100 -0.048 0.000 0.790 394 P CB 1.049 32.724 31.700 -0.041 0.000 0.951 395 T N -0.537 113.984 114.554 -0.055 0.000 2.937 395 T HA 0.025 4.368 4.350 -0.012 0.000 0.260 395 T C 0.322 175.003 174.700 -0.031 0.000 1.051 395 T CA 1.150 63.222 62.100 -0.047 0.000 1.141 395 T CB -0.068 68.761 68.868 -0.064 0.000 0.879 395 T HN 0.462 nan 8.240 nan 0.000 0.459 396 E N -1.093 119.091 120.200 -0.028 0.000 2.383 396 E HA 0.517 4.859 4.350 -0.012 0.000 0.275 396 E C -0.284 176.315 176.600 -0.002 0.000 0.918 396 E CA -0.473 55.919 56.400 -0.014 0.000 0.764 396 E CB 2.556 32.246 29.700 -0.016 0.000 1.252 396 E HN 0.327 nan 8.360 nan 0.000 0.449 397 G N 1.902 110.708 108.800 0.009 0.000 2.610 397 G HA2 -0.115 3.838 3.960 -0.012 0.000 0.304 397 G HA3 -0.115 3.838 3.960 -0.012 0.000 0.304 397 G C -1.081 173.829 174.900 0.016 0.000 1.309 397 G CA -0.154 44.963 45.100 0.029 0.000 0.906 397 G HN 0.549 nan 8.290 nan 0.000 0.521 398 K N -1.364 119.053 120.400 0.028 0.000 2.578 398 K HA 0.449 4.761 4.320 -0.012 0.000 0.263 398 K C -0.607 175.988 176.600 -0.007 0.000 0.973 398 K CA -0.276 56.008 56.287 -0.005 0.000 0.909 398 K CB 1.473 33.977 32.500 0.006 0.000 1.326 398 K HN 1.725 nan 8.250 nan 0.000 0.440 399 V N 1.049 120.881 119.914 -0.137 0.000 2.217 399 V HA 0.472 4.584 4.120 -0.012 0.000 0.264 399 V C -0.499 175.325 176.094 -0.451 0.000 1.107 399 V CA -0.469 61.622 62.300 -0.348 0.000 0.913 399 V CB 0.630 32.031 31.823 -0.703 0.000 1.153 399 V HN 0.719 nan 8.190 nan 0.000 0.469 400 E N 5.203 125.328 120.200 -0.125 0.000 2.042 400 E HA 0.343 4.686 4.350 -0.012 0.000 0.260 400 E C -1.201 175.531 176.600 0.220 0.000 0.975 400 E CA -0.387 55.998 56.400 -0.025 0.000 0.799 400 E CB 0.794 30.515 29.700 0.035 0.000 1.131 400 E HN 0.756 nan 8.360 nan 0.000 0.423 401 W N 0.914 122.213 121.300 -0.001 0.000 2.647 401 W HA 0.329 4.982 4.660 -0.012 0.000 0.353 401 W C -0.100 176.414 176.519 -0.008 0.000 1.080 401 W CA -1.215 56.129 57.345 -0.002 0.000 1.208 401 W CB 0.645 30.103 29.460 -0.003 0.000 1.396 401 W HN 0.240 nan 8.180 nan 0.000 0.573 402 D N 2.446 122.984 120.400 0.230 0.000 2.622 402 D HA 0.467 5.100 4.640 -0.012 0.000 0.262 402 D C -0.399 175.966 176.300 0.107 0.000 1.189 402 D CA 0.188 54.262 54.000 0.124 0.000 0.985 402 D CB 0.068 40.914 40.800 0.077 0.000 0.994 402 D HN 0.034 nan 8.370 nan 0.000 0.513 403 L N -0.069 121.234 121.223 0.134 0.000 2.415 403 L HA 0.512 4.844 4.340 -0.012 0.000 0.256 403 L C 0.322 177.230 176.870 0.063 0.000 1.010 403 L CA -1.057 53.840 54.840 0.094 0.000 0.826 403 L CB 2.309 44.446 42.059 0.129 0.000 1.405 403 L HN -0.016 nan 8.230 nan 0.000 0.410 404 T N -0.965 113.599 114.554 0.016 0.000 2.875 404 T HA 0.715 5.058 4.350 -0.012 0.000 0.284 404 T C -0.417 174.250 174.700 -0.055 0.000 0.995 404 T CA -0.693 61.396 62.100 -0.018 0.000 1.060 404 T CB 1.789 70.634 68.868 -0.038 0.000 0.967 404 T HN 0.217 nan 8.240 nan 0.000 0.476 405 V N 1.437 121.316 119.914 -0.058 0.000 2.680 405 V HA 0.767 4.880 4.120 -0.012 0.000 0.309 405 V C 0.005 176.039 176.094 -0.100 0.000 1.052 405 V CA -1.152 61.097 62.300 -0.084 0.000 0.908 405 V CB 1.785 33.589 31.823 -0.032 0.000 1.001 405 V HN 1.279 nan 8.190 nan 0.000 0.431 406 A N 4.287 127.007 122.820 -0.165 0.000 2.273 406 A HA 0.699 5.011 4.320 -0.012 0.000 0.315 406 A C -1.198 176.460 177.584 0.124 0.000 1.256 406 A CA -0.431 51.566 52.037 -0.066 0.000 0.851 406 A CB 0.397 19.281 19.000 -0.193 0.000 1.172 406 A HN 0.945 nan 8.150 nan 0.000 0.508 407 Y N 3.629 123.925 120.300 -0.008 0.000 2.338 407 Y HA 0.445 4.988 4.550 -0.012 0.000 0.328 407 Y C -0.065 175.849 175.900 0.023 0.000 0.965 407 Y CA -1.022 57.084 58.100 0.010 0.000 1.208 407 Y CB 0.962 39.416 38.460 -0.010 0.000 1.132 407 Y HN 0.523 nan 8.280 nan 0.000 0.469 408 K N 9.903 130.403 120.400 0.166 0.000 2.257 408 K HA 0.308 4.620 4.320 -0.012 0.000 0.270 408 K C -2.851 173.657 176.600 -0.154 0.000 1.098 408 K CA -2.317 53.943 56.287 -0.044 0.000 0.943 408 K CB 0.816 33.346 32.500 0.050 0.000 1.316 408 K HN 0.461 nan 8.250 nan 0.000 0.447 409 P HA -0.039 nan 4.420 nan 0.000 0.268 409 P C 0.467 177.709 177.300 -0.097 0.000 1.208 409 P CA 0.088 62.936 63.100 -0.420 0.000 0.777 409 P CB 0.973 32.382 31.700 -0.484 0.000 0.875 410 Q N 1.758 121.550 119.800 -0.014 0.000 2.020 410 Q HA -0.122 4.210 4.340 -0.012 0.000 0.198 410 Q C -0.077 175.809 176.000 -0.191 0.000 0.974 410 Q CA 1.375 57.099 55.803 -0.131 0.000 0.829 410 Q CB -0.176 28.411 28.738 -0.251 0.000 0.894 410 Q HN 0.488 nan 8.270 nan 0.000 0.433 411 Y N 0.876 121.197 120.300 0.035 0.000 2.595 411 Y HA 0.349 4.892 4.550 -0.012 0.000 0.336 411 Y C -0.329 175.572 175.900 0.002 0.000 0.996 411 Y CA -0.647 57.477 58.100 0.040 0.000 1.260 411 Y CB 0.552 39.035 38.460 0.037 0.000 1.108 411 Y HN 0.155 nan 8.280 nan 0.000 0.509 412 I N 4.478 125.112 120.570 0.107 0.000 2.312 412 I HA 0.326 4.489 4.170 -0.012 0.000 0.290 412 I C -0.556 175.585 176.117 0.040 0.000 1.008 412 I CA -0.725 60.598 61.300 0.038 0.000 1.226 412 I CB 0.639 38.630 38.000 -0.014 0.000 1.371 412 I HN 0.477 nan 8.210 nan 0.000 0.468 413 K N 7.427 127.846 120.400 0.033 0.000 2.357 413 K HA 0.483 4.796 4.320 -0.012 0.000 0.251 413 K C -0.264 176.345 176.600 0.015 0.000 1.069 413 K CA -0.598 55.703 56.287 0.024 0.000 0.994 413 K CB 0.925 33.441 32.500 0.027 0.000 1.411 413 K HN 0.774 nan 8.250 nan 0.000 0.450 414 A N 3.643 126.469 122.820 0.009 0.000 2.563 414 A HA -0.052 4.261 4.320 -0.012 0.000 0.256 414 A C -0.263 177.349 177.584 0.046 0.000 1.056 414 A CA 0.583 52.633 52.037 0.023 0.000 0.775 414 A CB -0.101 18.910 19.000 0.019 0.000 0.973 414 A HN 0.764 nan 8.150 nan 0.000 0.516 415 E N 1.519 121.763 120.200 0.073 0.000 2.923 415 E HA 0.450 4.793 4.350 -0.012 0.000 0.266 415 E C -1.725 174.970 176.600 0.159 0.000 1.157 415 E CA -0.150 56.300 56.400 0.083 0.000 0.795 415 E CB 0.686 30.416 29.700 0.050 0.000 1.454 415 E HN 0.560 nan 8.360 nan 0.000 0.386 416 Y N 1.616 121.915 120.300 -0.002 0.000 2.313 416 Y HA 0.319 4.862 4.550 -0.013 0.000 0.320 416 Y C -1.248 174.655 175.900 0.005 0.000 1.171 416 Y CA -0.984 57.117 58.100 0.001 0.000 1.093 416 Y CB 1.222 39.682 38.460 0.000 0.000 1.224 416 Y HN 0.163 nan 8.280 nan 0.000 0.421 417 E N 4.616 124.631 120.200 -0.308 0.000 1.858 417 E HA 0.567 4.910 4.350 -0.012 0.000 0.267 417 E C -0.254 176.113 176.600 -0.388 0.000 1.215 417 E CA 0.714 56.964 56.400 -0.250 0.000 0.952 417 E CB -0.126 29.468 29.700 -0.177 0.000 1.058 417 E HN 0.919 nan 8.360 nan 0.000 0.407 418 G N 1.866 110.563 108.800 -0.171 0.000 2.430 418 G HA2 0.402 4.354 3.960 -0.012 0.000 0.300 418 G HA3 0.402 4.354 3.960 -0.012 0.000 0.300 418 G C -0.605 174.394 174.900 0.165 0.000 1.330 418 G CA -0.227 44.847 45.100 -0.044 0.000 0.813 418 G HN 0.498 nan 8.290 nan 0.000 0.487 419 T N -1.991 112.679 114.554 0.193 0.000 2.927 419 T HA 0.535 4.878 4.350 -0.012 0.000 0.281 419 T C 1.447 176.291 174.700 0.239 0.000 0.998 419 T CA 0.092 62.313 62.100 0.201 0.000 1.019 419 T CB 1.541 70.520 68.868 0.184 0.000 1.061 419 T HN 0.678 nan 8.240 nan 0.000 0.518 420 V N 0.632 120.682 119.914 0.227 0.000 2.287 420 V HA -0.144 3.968 4.120 -0.012 0.000 0.248 420 V C 2.139 178.374 176.094 0.236 0.000 1.053 420 V CA 1.953 64.383 62.300 0.217 0.000 1.027 420 V CB -1.290 30.676 31.823 0.238 0.000 0.646 420 V HN 0.928 nan 8.190 nan 0.000 0.447 421 Y N 0.909 121.318 120.300 0.182 0.000 2.207 421 Y HA -0.278 4.265 4.550 -0.012 0.000 0.287 421 Y C 2.522 178.396 175.900 -0.043 0.000 1.156 421 Y CA 2.248 60.306 58.100 -0.070 0.000 1.182 421 Y CB -0.067 38.215 38.460 -0.295 0.000 0.979 421 Y HN 0.329 nan 8.280 nan 0.000 0.521 422 E N -0.113 120.169 120.200 0.136 0.000 2.023 422 E HA -0.257 4.086 4.350 -0.012 0.000 0.196 422 E C 2.059 178.679 176.600 0.033 0.000 1.003 422 E CA 1.567 58.031 56.400 0.106 0.000 0.809 422 E CB -0.524 29.296 29.700 0.200 0.000 0.755 422 E HN 0.433 nan 8.360 nan 0.000 0.449 423 L N 0.609 121.878 121.223 0.077 0.000 2.013 423 L HA -0.204 4.129 4.340 -0.012 0.000 0.212 423 L C 1.956 178.744 176.870 -0.137 0.000 1.073 423 L CA 1.777 56.563 54.840 -0.089 0.000 0.753 423 L CB -0.472 41.425 42.059 -0.270 0.000 0.890 423 L HN 0.215 nan 8.230 nan 0.000 0.432 424 L N -0.781 120.355 121.223 -0.145 0.000 2.044 424 L HA -0.135 4.197 4.340 -0.012 0.000 0.205 424 L C 2.707 179.427 176.870 -0.250 0.000 1.075 424 L CA 1.300 56.040 54.840 -0.166 0.000 0.747 424 L CB -1.075 40.925 42.059 -0.097 0.000 0.903 424 L HN 0.501 nan 8.230 nan 0.000 0.435 425 S N 0.056 115.495 115.700 -0.436 0.000 2.402 425 S HA -0.239 4.223 4.470 -0.012 0.000 0.233 425 S C 1.869 176.340 174.600 -0.215 0.000 1.030 425 S CA 1.196 59.127 58.200 -0.447 0.000 1.003 425 S CB -0.412 62.371 63.200 -0.695 0.000 0.813 425 S HN 0.378 nan 8.310 nan 0.000 0.477 426 K N 0.311 120.622 120.400 -0.149 0.000 2.504 426 K HA 0.270 4.583 4.320 -0.012 0.000 0.195 426 K C 1.574 178.132 176.600 -0.071 0.000 1.036 426 K CA 0.641 56.883 56.287 -0.074 0.000 0.984 426 K CB -0.168 32.321 32.500 -0.018 0.000 0.788 426 K HN 0.508 nan 8.250 nan 0.000 0.488 427 I N -0.341 120.170 120.570 -0.098 0.000 2.512 427 I HA -0.057 4.106 4.170 -0.012 0.000 0.247 427 I C 0.630 176.696 176.117 -0.084 0.000 1.094 427 I CA 0.688 61.939 61.300 -0.081 0.000 1.427 427 I CB 0.533 38.481 38.000 -0.086 0.000 1.149 427 I HN 0.020 nan 8.210 nan 0.000 0.438 428 D N -0.182 120.149 120.400 -0.115 0.000 2.634 428 D HA 0.108 4.741 4.640 -0.012 0.000 0.236 428 D C 0.456 176.678 176.300 -0.130 0.000 1.323 428 D CA 0.059 53.990 54.000 -0.114 0.000 0.884 428 D CB 1.002 41.720 40.800 -0.137 0.000 1.496 428 D HN -0.108 nan 8.370 nan 0.000 0.525 429 S N -0.030 115.603 115.700 -0.112 0.000 2.387 429 S HA -0.224 4.239 4.470 -0.012 0.000 0.230 429 S C 2.175 176.740 174.600 -0.059 0.000 1.035 429 S CA 1.904 60.042 58.200 -0.104 0.000 1.014 429 S CB 0.020 63.180 63.200 -0.067 0.000 0.836 429 S HN 0.675 nan 8.310 nan 0.000 0.466 430 S N 2.214 117.888 115.700 -0.043 0.000 2.353 430 S HA -0.145 4.318 4.470 -0.012 0.000 0.222 430 S C 1.700 176.295 174.600 -0.007 0.000 1.035 430 S CA 1.105 59.300 58.200 -0.010 0.000 1.025 430 S CB -0.510 62.690 63.200 0.000 0.000 0.902 430 S HN 0.460 nan 8.310 nan 0.000 0.440 431 K N 1.257 121.603 120.400 -0.090 0.000 2.113 431 K HA 0.001 4.313 4.320 -0.012 0.000 0.208 431 K C 2.123 178.699 176.600 -0.041 0.000 1.047 431 K CA 1.549 57.727 56.287 -0.181 0.000 0.928 431 K CB -0.661 31.444 32.500 -0.660 0.000 0.716 431 K HN 0.401 nan 8.250 nan 0.000 0.446 432 L N 0.800 121.997 121.223 -0.044 0.000 2.187 432 L HA -0.201 4.131 4.340 -0.012 0.000 0.213 432 L C 1.204 178.143 176.870 0.116 0.000 1.100 432 L CA 1.059 55.926 54.840 0.045 0.000 0.765 432 L CB -0.395 41.650 42.059 -0.024 0.000 0.904 432 L HN 0.221 nan 8.230 nan 0.000 0.437 433 N N -1.380 117.376 118.700 0.094 0.000 2.299 433 N HA 0.001 4.733 4.740 -0.012 0.000 0.187 433 N C 0.448 176.037 175.510 0.132 0.000 1.099 433 N CA 0.051 53.166 53.050 0.109 0.000 0.867 433 N CB 0.359 38.894 38.487 0.081 0.000 0.974 433 N HN -0.026 nan 8.380 nan 0.000 0.477 434 S N 0.418 116.227 115.700 0.181 0.000 2.533 434 S HA 0.021 4.484 4.470 -0.012 0.000 0.282 434 S C 1.248 175.978 174.600 0.216 0.000 1.304 434 S CA -0.308 58.041 58.200 0.248 0.000 1.063 434 S CB 0.459 63.943 63.200 0.473 0.000 0.881 434 S HN 0.290 nan 8.310 nan 0.000 0.493 435 N N 2.777 121.582 118.700 0.175 0.000 2.381 435 N HA -0.074 4.658 4.740 -0.012 0.000 0.182 435 N C 1.199 176.792 175.510 0.139 0.000 1.025 435 N CA 1.088 54.218 53.050 0.133 0.000 0.888 435 N CB -0.165 38.386 38.487 0.106 0.000 0.965 435 N HN 0.681 nan 8.380 nan 0.000 0.438 436 F N -0.297 119.660 119.950 0.012 0.000 2.149 436 F HA 0.031 4.551 4.527 -0.012 0.000 0.294 436 F C 1.349 177.060 175.800 -0.150 0.000 1.095 436 F CA 1.133 59.073 58.000 -0.100 0.000 1.276 436 F CB -0.526 38.359 39.000 -0.192 0.000 1.023 436 F HN 0.025 nan 8.300 nan 0.000 0.480 437 Y N 0.793 121.027 120.300 -0.109 0.000 2.373 437 Y HA -0.061 4.482 4.550 -0.013 0.000 0.293 437 Y C 2.258 178.068 175.900 -0.150 0.000 1.129 437 Y CA 1.446 59.425 58.100 -0.202 0.000 1.226 437 Y CB -0.453 38.002 38.460 -0.009 0.000 1.000 437 Y HN 0.023 nan 8.280 nan 0.000 0.549 438 K N -1.061 119.380 120.400 0.068 0.000 2.167 438 K HA -0.055 4.257 4.320 -0.012 0.000 0.203 438 K C 1.861 178.440 176.600 -0.035 0.000 1.052 438 K CA 1.601 57.917 56.287 0.048 0.000 0.956 438 K CB -0.173 32.380 32.500 0.088 0.000 0.735 438 K HN 0.138 nan 8.250 nan 0.000 0.451 439 T N 1.062 115.560 114.554 -0.093 0.000 2.942 439 T HA -0.013 4.330 4.350 -0.012 0.000 0.265 439 T C 1.320 175.879 174.700 -0.236 0.000 1.062 439 T CA 0.949 62.972 62.100 -0.127 0.000 1.139 439 T CB 0.108 68.922 68.868 -0.090 0.000 0.883 439 T HN 0.146 nan 8.240 nan 0.000 0.468 440 E N -0.116 119.855 120.200 -0.382 0.000 2.389 440 E HA 0.312 4.655 4.350 -0.012 0.000 0.199 440 E C 1.646 178.061 176.600 -0.307 0.000 0.978 440 E CA 0.097 56.243 56.400 -0.424 0.000 0.912 440 E CB 0.538 29.815 29.700 -0.706 0.000 0.907 440 E HN 0.362 nan 8.360 nan 0.000 0.494 441 L N -0.468 120.624 121.223 -0.218 0.000 3.031 441 L HA 0.183 4.516 4.340 -0.012 0.000 0.167 441 L C 2.038 178.874 176.870 -0.057 0.000 1.203 441 L CA 0.167 54.945 54.840 -0.103 0.000 0.857 441 L CB -0.365 41.691 42.059 -0.005 0.000 1.368 441 L HN -0.011 nan 8.230 nan 0.000 0.534 442 L N 0.747 121.962 121.223 -0.014 0.000 1.978 442 L HA -0.308 4.025 4.340 -0.012 0.000 0.218 442 L C 2.519 179.359 176.870 -0.050 0.000 1.075 442 L CA 1.954 56.786 54.840 -0.013 0.000 0.767 442 L CB -0.704 41.389 42.059 0.058 0.000 0.890 442 L HN 0.300 nan 8.230 nan 0.000 0.434 443 K N -0.560 119.819 120.400 -0.035 0.000 2.031 443 K HA -0.097 4.215 4.320 -0.012 0.000 0.205 443 K C -0.060 176.531 176.600 -0.016 0.000 1.049 443 K CA 1.156 57.428 56.287 -0.024 0.000 0.939 443 K CB -1.010 31.491 32.500 0.001 0.000 0.717 443 K HN 0.211 nan 8.250 nan 0.000 0.438 444 P HA -0.166 nan 4.420 nan 0.000 0.216 444 P C 0.787 178.088 177.300 0.001 0.000 1.150 444 P CA 1.150 64.250 63.100 0.001 0.000 0.843 444 P CB 0.167 31.814 31.700 -0.089 0.000 0.787 445 L N -2.751 118.454 121.223 -0.030 0.000 2.509 445 L HA 0.308 4.640 4.340 -0.012 0.000 0.222 445 L C 1.287 178.135 176.870 -0.037 0.000 1.123 445 L CA 1.017 55.839 54.840 -0.029 0.000 0.856 445 L CB -1.062 40.974 42.059 -0.038 0.000 0.985 445 L HN 0.058 nan 8.230 nan 0.000 0.456 446 G N 0.015 108.785 108.800 -0.049 0.000 2.291 446 G HA2 -0.272 3.680 3.960 -0.012 0.000 0.271 446 G HA3 -0.272 3.680 3.960 -0.012 0.000 0.271 446 G C 0.567 175.395 174.900 -0.119 0.000 1.099 446 G CA 0.378 45.438 45.100 -0.067 0.000 0.919 446 G HN 0.283 nan 8.290 nan 0.000 0.496 447 I N -0.104 120.358 120.570 -0.180 0.000 3.728 447 I HA 0.166 4.329 4.170 -0.012 0.000 0.307 447 I C 2.208 177.921 176.117 -0.673 0.000 1.276 447 I CA -0.064 61.068 61.300 -0.280 0.000 1.285 447 I CB -0.019 37.868 38.000 -0.189 0.000 1.038 447 I HN 0.324 nan 8.210 nan 0.000 0.445 448 I N 0.375 120.599 120.570 -0.577 0.000 2.333 448 I HA -0.143 4.020 4.170 -0.012 0.000 0.246 448 I C 1.510 177.429 176.117 -0.330 0.000 1.106 448 I CA 1.238 62.107 61.300 -0.719 0.000 1.411 448 I CB -0.993 36.865 38.000 -0.237 0.000 1.082 448 I HN 0.221 nan 8.210 nan 0.000 0.420 449 D N 0.880 121.180 120.400 -0.167 0.000 2.392 449 D HA -0.018 4.614 4.640 -0.012 0.000 0.228 449 D C 1.880 178.160 176.300 -0.033 0.000 1.003 449 D CA 0.665 54.632 54.000 -0.054 0.000 0.917 449 D CB 0.394 41.176 40.800 -0.030 0.000 0.890 449 D HN 0.366 nan 8.370 nan 0.000 0.532 450 L N -1.114 120.058 121.223 -0.086 0.000 2.878 450 L HA 0.056 4.389 4.340 -0.012 0.000 0.253 450 L C 1.570 178.509 176.870 0.115 0.000 1.135 450 L CA -0.235 54.604 54.840 -0.003 0.000 0.943 450 L CB 0.222 42.263 42.059 -0.031 0.000 1.307 450 L HN -0.135 nan 8.230 nan 0.000 0.545 451 Y N 1.951 122.312 120.300 0.102 0.000 2.096 451 Y HA -0.364 4.178 4.550 -0.012 0.000 0.278 451 Y C 2.561 178.540 175.900 0.131 0.000 1.192 451 Y CA 1.684 59.874 58.100 0.150 0.000 1.143 451 Y CB -0.733 37.825 38.460 0.162 0.000 0.963 451 Y HN 0.451 nan 8.280 nan 0.000 0.505 452 D N -0.123 120.434 120.400 0.261 0.000 2.219 452 D HA -0.120 4.513 4.640 -0.012 0.000 0.205 452 D C 0.606 177.004 176.300 0.164 0.000 0.970 452 D CA 0.482 54.592 54.000 0.183 0.000 0.851 452 D CB -0.354 40.551 40.800 0.176 0.000 0.943 452 D HN 0.136 nan 8.370 nan 0.000 0.488 453 R N 1.288 121.877 120.500 0.149 0.000 2.734 453 R HA 0.167 4.500 4.340 -0.012 0.000 0.266 453 R C 0.343 176.711 176.300 0.112 0.000 1.044 453 R CA -0.310 55.856 56.100 0.109 0.000 1.128 453 R CB 0.045 30.393 30.300 0.079 0.000 1.010 453 R HN 0.163 nan 8.270 nan 0.000 0.461 454 N N 0.441 119.193 118.700 0.086 0.000 2.518 454 N HA 0.025 4.757 4.740 -0.012 0.000 0.283 454 N C 1.396 176.962 175.510 0.093 0.000 1.119 454 N CA -0.215 52.890 53.050 0.091 0.000 0.983 454 N CB 1.322 39.846 38.487 0.061 0.000 1.139 454 N HN 0.192 nan 8.380 nan 0.000 0.465 455 V N 2.146 122.141 119.914 0.134 0.000 2.287 455 V HA -0.235 3.878 4.120 -0.012 0.000 0.248 455 V C 1.962 178.103 176.094 0.078 0.000 1.053 455 V CA 1.712 64.085 62.300 0.122 0.000 1.027 455 V CB -0.405 31.543 31.823 0.207 0.000 0.646 455 V HN 0.681 nan 8.190 nan 0.000 0.447 456 E N -0.344 119.903 120.200 0.078 0.000 2.265 456 E HA -0.192 4.151 4.350 -0.012 0.000 0.196 456 E C 1.170 177.783 176.600 0.020 0.000 0.996 456 E CA 1.021 57.447 56.400 0.043 0.000 0.832 456 E CB -0.085 29.635 29.700 0.034 0.000 0.756 456 E HN 0.632 nan 8.360 nan 0.000 0.491 457 D N 0.383 120.797 120.400 0.023 0.000 2.336 457 D HA 0.038 4.671 4.640 -0.012 0.000 0.228 457 D C -0.183 176.116 176.300 -0.001 0.000 1.120 457 D CA 0.085 54.090 54.000 0.007 0.000 0.839 457 D CB 0.250 41.056 40.800 0.011 0.000 0.932 457 D HN 0.022 nan 8.370 nan 0.000 0.509 458 L N 0.917 122.139 121.223 -0.003 0.000 2.379 458 L HA 0.181 4.513 4.340 -0.012 0.000 0.269 458 L C 0.851 177.693 176.870 -0.048 0.000 1.084 458 L CA -0.406 54.423 54.840 -0.018 0.000 0.802 458 L CB 1.555 43.609 42.059 -0.009 0.000 1.175 458 L HN -0.122 nan 8.230 nan 0.000 0.448 459 S N 0.642 116.304 115.700 -0.064 0.000 2.693 459 S HA 0.463 4.926 4.470 -0.012 0.000 0.276 459 S C 1.234 175.734 174.600 -0.166 0.000 1.192 459 S CA -0.186 57.952 58.200 -0.103 0.000 0.994 459 S CB 1.095 64.243 63.200 -0.086 0.000 1.012 459 S HN 0.814 nan 8.310 nan 0.000 0.550 460 G N 0.955 109.575 108.800 -0.301 0.000 2.574 460 G HA2 -0.162 3.791 3.960 -0.012 0.000 0.220 460 G HA3 -0.162 3.791 3.960 -0.012 0.000 0.220 460 G C 1.349 176.044 174.900 -0.341 0.000 1.173 460 G CA 0.937 45.690 45.100 -0.579 0.000 0.772 460 G HN 1.091 nan 8.290 nan 0.000 0.585 461 G N 0.263 108.964 108.800 -0.165 0.000 2.408 461 G HA2 -0.040 3.912 3.960 -0.012 0.000 0.217 461 G HA3 -0.040 3.912 3.960 -0.012 0.000 0.217 461 G C 1.651 176.536 174.900 -0.026 0.000 1.150 461 G CA 1.145 46.241 45.100 -0.006 0.000 0.776 461 G HN 0.548 nan 8.290 nan 0.000 0.542 462 E N -0.202 119.969 120.200 -0.049 0.000 2.015 462 E HA -0.068 4.275 4.350 -0.012 0.000 0.191 462 E C 2.348 178.928 176.600 -0.034 0.000 0.991 462 E CA 0.731 57.109 56.400 -0.036 0.000 0.802 462 E CB -0.274 29.405 29.700 -0.034 0.000 0.759 462 E HN 0.278 nan 8.360 nan 0.000 0.447 463 L N 1.563 122.756 121.223 -0.049 0.000 2.089 463 L HA -0.307 4.025 4.340 -0.012 0.000 0.213 463 L C 2.444 179.296 176.870 -0.030 0.000 1.079 463 L CA 1.930 56.744 54.840 -0.042 0.000 0.758 463 L CB -0.430 41.592 42.059 -0.062 0.000 0.891 463 L HN 0.082 nan 8.230 nan 0.000 0.433 464 Q N -0.264 119.524 119.800 -0.020 0.000 2.020 464 Q HA -0.220 4.112 4.340 -0.012 0.000 0.202 464 Q C 2.384 178.384 176.000 -0.001 0.000 0.982 464 Q CA 1.998 57.806 55.803 0.009 0.000 0.838 464 Q CB -0.218 28.552 28.738 0.054 0.000 0.899 464 Q HN 0.472 nan 8.270 nan 0.000 0.423 465 R N -0.901 119.594 120.500 -0.007 0.000 2.096 465 R HA -0.078 4.254 4.340 -0.012 0.000 0.235 465 R C 2.254 178.544 176.300 -0.016 0.000 1.127 465 R CA 1.412 57.505 56.100 -0.013 0.000 0.968 465 R CB -0.268 30.021 30.300 -0.019 0.000 0.861 465 R HN 0.184 nan 8.270 nan 0.000 0.440 466 V N 0.656 120.559 119.914 -0.018 0.000 2.453 466 V HA -0.175 3.938 4.120 -0.012 0.000 0.247 466 V C 2.371 178.451 176.094 -0.024 0.000 1.048 466 V CA 1.780 64.070 62.300 -0.017 0.000 1.049 466 V CB -0.534 31.281 31.823 -0.012 0.000 0.672 466 V HN 0.378 nan 8.190 nan 0.000 0.457 467 A N 0.297 123.100 122.820 -0.028 0.000 1.858 467 A HA -0.184 4.129 4.320 -0.012 0.000 0.216 467 A C 2.191 179.766 177.584 -0.015 0.000 1.190 467 A CA 1.970 53.986 52.037 -0.035 0.000 0.617 467 A CB -0.597 18.380 19.000 -0.039 0.000 0.827 467 A HN 0.451 nan 8.150 nan 0.000 0.443 468 I N -0.147 120.421 120.570 -0.005 0.000 2.151 468 I HA -0.364 3.798 4.170 -0.012 0.000 0.243 468 I C 2.973 179.098 176.117 0.014 0.000 1.080 468 I CA 1.356 62.662 61.300 0.010 0.000 1.339 468 I CB -0.353 37.649 38.000 0.004 0.000 1.039 468 I HN 0.391 nan 8.210 nan 0.000 0.409 469 A N 0.458 123.280 122.820 0.004 0.000 1.933 469 A HA -0.136 4.177 4.320 -0.012 0.000 0.218 469 A C 2.521 180.113 177.584 0.013 0.000 1.175 469 A CA 1.770 53.813 52.037 0.010 0.000 0.628 469 A CB -0.762 18.240 19.000 0.004 0.000 0.814 469 A HN 0.459 nan 8.150 nan 0.000 0.444 470 A N -0.715 122.103 122.820 -0.003 0.000 1.858 470 A HA -0.095 4.217 4.320 -0.012 0.000 0.216 470 A C 2.326 179.921 177.584 0.018 0.000 1.190 470 A CA 2.357 54.383 52.037 -0.018 0.000 0.617 470 A CB -1.430 17.538 19.000 -0.053 0.000 0.827 470 A HN 0.429 nan 8.150 nan 0.000 0.443 471 T N 0.788 115.367 114.554 0.042 0.000 2.635 471 T HA -0.143 4.200 4.350 -0.012 0.000 0.267 471 T C 1.675 176.494 174.700 0.198 0.000 1.040 471 T CA 1.616 63.782 62.100 0.111 0.000 1.156 471 T CB -0.457 68.484 68.868 0.122 0.000 0.863 471 T HN 0.348 nan 8.240 nan 0.000 0.430 472 L N 0.275 121.579 121.223 0.135 0.000 2.551 472 L HA 0.142 4.475 4.340 -0.012 0.000 0.228 472 L C 1.868 178.821 176.870 0.139 0.000 1.153 472 L CA 0.503 55.411 54.840 0.112 0.000 0.851 472 L CB -0.366 41.712 42.059 0.033 0.000 0.959 472 L HN 0.259 nan 8.230 nan 0.000 0.451 473 L N -0.884 120.391 121.223 0.087 0.000 2.592 473 L HA 0.100 4.433 4.340 -0.012 0.000 0.227 473 L C 1.139 178.017 176.870 0.014 0.000 1.127 473 L CA 0.056 54.887 54.840 -0.014 0.000 0.884 473 L CB 0.023 42.033 42.059 -0.081 0.000 1.065 473 L HN 0.151 nan 8.230 nan 0.000 0.457 474 R N -0.126 120.453 120.500 0.131 0.000 2.573 474 R HA 0.203 4.535 4.340 -0.012 0.000 0.272 474 R C -0.690 175.733 176.300 0.205 0.000 1.009 474 R CA -0.553 55.618 56.100 0.118 0.000 1.059 474 R CB 1.186 31.534 30.300 0.080 0.000 1.112 474 R HN -0.163 nan 8.270 nan 0.000 0.517 475 D N 0.919 121.382 120.400 0.105 0.000 2.454 475 D HA 0.437 5.069 4.640 -0.012 0.000 0.225 475 D C -1.377 174.924 176.300 0.002 0.000 1.081 475 D CA -0.152 53.922 54.000 0.123 0.000 0.864 475 D CB 1.022 41.872 40.800 0.084 0.000 1.040 475 D HN 0.572 nan 8.370 nan 0.000 0.517 476 A N 3.091 125.838 122.820 -0.122 0.000 2.486 476 A HA 0.446 4.759 4.320 -0.012 0.000 0.289 476 A C 0.455 177.922 177.584 -0.196 0.000 1.176 476 A CA -0.638 51.226 52.037 -0.288 0.000 0.757 476 A CB 1.275 19.922 19.000 -0.589 0.000 1.337 476 A HN 0.502 nan 8.150 nan 0.000 0.423 477 D N -0.559 119.758 120.400 -0.138 0.000 2.240 477 D HA 0.128 4.761 4.640 -0.012 0.000 0.206 477 D C 0.050 176.345 176.300 -0.009 0.000 0.963 477 D CA 1.345 55.327 54.000 -0.031 0.000 0.863 477 D CB 0.551 41.344 40.800 -0.012 0.000 0.973 477 D HN 0.409 nan 8.370 nan 0.000 0.501 478 I N -0.140 120.365 120.570 -0.108 0.000 2.722 478 I HA 0.228 4.391 4.170 -0.012 0.000 0.295 478 I C -1.765 174.267 176.117 -0.141 0.000 1.161 478 I CA -0.828 60.474 61.300 0.003 0.000 1.032 478 I CB 1.926 39.959 38.000 0.055 0.000 1.244 478 I HN -0.302 nan 8.210 nan 0.000 0.421 479 Y N 6.632 126.971 120.300 0.065 0.000 2.364 479 Y HA 0.592 5.135 4.550 -0.012 0.000 0.340 479 Y C -0.664 175.277 175.900 0.069 0.000 0.975 479 Y CA -0.779 57.364 58.100 0.073 0.000 1.089 479 Y CB 1.707 40.211 38.460 0.072 0.000 1.192 479 Y HN 0.251 nan 8.280 nan 0.000 0.454 480 L N 5.639 126.986 121.223 0.206 0.000 2.319 480 L HA 0.552 4.885 4.340 -0.012 0.000 0.281 480 L C -1.211 175.802 176.870 0.238 0.000 1.005 480 L CA -0.638 54.294 54.840 0.152 0.000 0.828 480 L CB 1.193 43.248 42.059 -0.007 0.000 1.227 480 L HN 0.488 nan 8.230 nan 0.000 0.415 481 L N 3.186 124.511 121.223 0.170 0.000 2.316 481 L HA 0.393 4.726 4.340 -0.012 0.000 0.280 481 L C -0.347 176.587 176.870 0.107 0.000 1.006 481 L CA -0.228 54.698 54.840 0.143 0.000 0.836 481 L CB 1.708 43.825 42.059 0.098 0.000 1.221 481 L HN 0.413 nan 8.230 nan 0.000 0.418 482 D N 5.187 125.665 120.400 0.129 0.000 2.428 482 D HA 0.132 4.765 4.640 -0.012 0.000 0.221 482 D C -0.232 176.075 176.300 0.011 0.000 1.123 482 D CA -0.029 54.018 54.000 0.078 0.000 0.869 482 D CB 0.444 41.331 40.800 0.146 0.000 1.032 482 D HN 0.542 nan 8.370 nan 0.000 0.506 483 E N 2.454 122.648 120.200 -0.010 0.000 2.613 483 E HA -0.175 4.168 4.350 -0.012 0.000 0.161 483 E C -1.955 174.641 176.600 -0.006 0.000 1.664 483 E CA -0.189 56.203 56.400 -0.012 0.000 0.661 483 E CB -0.464 29.231 29.700 -0.008 0.000 1.098 483 E HN 0.418 nan 8.360 nan 0.000 0.364 484 P HA -0.157 nan 4.420 nan 0.000 0.218 484 P C 1.587 178.889 177.300 0.002 0.000 1.152 484 P CA 1.453 64.557 63.100 0.006 0.000 0.826 484 P CB 0.117 31.821 31.700 0.007 0.000 0.790 485 S N -0.541 115.157 115.700 -0.004 0.000 2.469 485 S HA -0.004 4.458 4.470 -0.012 0.000 0.238 485 S C 1.194 175.763 174.600 -0.051 0.000 0.998 485 S CA 0.315 58.506 58.200 -0.016 0.000 0.957 485 S CB -1.363 61.835 63.200 -0.003 0.000 0.764 485 S HN 0.137 nan 8.310 nan 0.000 0.514 486 A N 0.686 123.466 122.820 -0.067 0.000 2.524 486 A HA 0.447 4.760 4.320 -0.012 0.000 0.250 486 A C 0.323 177.853 177.584 -0.089 0.000 1.078 486 A CA -0.032 51.890 52.037 -0.191 0.000 0.761 486 A CB -0.901 17.981 19.000 -0.196 0.000 1.012 486 A HN 0.731 nan 8.150 nan 0.000 0.500 487 Y N -1.144 119.090 120.300 -0.111 0.000 4.929 487 Y HA -0.197 4.346 4.550 -0.012 0.000 0.252 487 Y C 0.251 176.074 175.900 -0.127 0.000 0.950 487 Y CA 0.711 58.742 58.100 -0.114 0.000 1.935 487 Y CB -2.337 36.081 38.460 -0.069 0.000 1.440 487 Y HN 0.575 nan 8.280 nan 0.000 0.567 488 L N 2.138 123.340 121.223 -0.036 0.000 2.295 488 L HA 0.386 4.719 4.340 -0.012 0.000 0.285 488 L C 0.608 177.357 176.870 -0.202 0.000 1.035 488 L CA -0.857 53.939 54.840 -0.074 0.000 0.806 488 L CB 0.955 42.994 42.059 -0.034 0.000 1.214 488 L HN 0.093 nan 8.230 nan 0.000 0.426 489 D N 1.516 121.766 120.400 -0.251 0.000 2.384 489 D HA 0.000 4.633 4.640 -0.012 0.000 0.244 489 D C 1.010 177.276 176.300 -0.057 0.000 1.251 489 D CA -0.522 53.198 54.000 -0.467 0.000 0.961 489 D CB 0.867 41.524 40.800 -0.239 0.000 1.116 489 D HN 0.182 nan 8.370 nan 0.000 0.484 490 V N -0.123 119.975 119.914 0.307 0.000 2.282 490 V HA -0.290 3.822 4.120 -0.012 0.000 0.249 490 V C 2.193 178.429 176.094 0.237 0.000 1.057 490 V CA 2.638 65.115 62.300 0.295 0.000 1.032 490 V CB -0.732 31.269 31.823 0.296 0.000 0.645 490 V HN 0.648 nan 8.190 nan 0.000 0.447 491 E N -0.169 120.168 120.200 0.228 0.000 2.110 491 E HA -0.232 4.110 4.350 -0.012 0.000 0.193 491 E C 2.271 178.924 176.600 0.087 0.000 0.988 491 E CA 1.796 58.295 56.400 0.165 0.000 0.804 491 E CB -0.268 29.513 29.700 0.135 0.000 0.745 491 E HN 0.814 nan 8.360 nan 0.000 0.458 492 Q N -0.479 119.354 119.800 0.054 0.000 2.167 492 Q HA -0.071 4.261 4.340 -0.012 0.000 0.202 492 Q C 2.213 178.218 176.000 0.007 0.000 0.970 492 Q CA 0.998 56.812 55.803 0.020 0.000 0.855 492 Q CB -0.100 28.635 28.738 -0.004 0.000 0.911 492 Q HN 0.191 nan 8.270 nan 0.000 0.438 493 R N 0.563 121.074 120.500 0.018 0.000 2.075 493 R HA -0.062 4.270 4.340 -0.012 0.000 0.232 493 R C 2.323 178.604 176.300 -0.031 0.000 1.126 493 R CA 0.992 57.095 56.100 0.004 0.000 0.963 493 R CB -0.338 29.982 30.300 0.034 0.000 0.858 493 R HN 0.212 nan 8.270 nan 0.000 0.435 494 L N 0.338 121.555 121.223 -0.010 0.000 2.017 494 L HA -0.156 4.176 4.340 -0.012 0.000 0.208 494 L C 2.734 179.531 176.870 -0.122 0.000 1.073 494 L CA 1.307 56.095 54.840 -0.086 0.000 0.745 494 L CB -0.639 41.418 42.059 -0.003 0.000 0.894 494 L HN 0.253 nan 8.230 nan 0.000 0.432 495 A N -0.515 122.290 122.820 -0.025 0.000 1.940 495 A HA -0.156 4.157 4.320 -0.012 0.000 0.219 495 A C 2.301 179.819 177.584 -0.110 0.000 1.176 495 A CA 1.788 53.809 52.037 -0.027 0.000 0.631 495 A CB -0.782 18.238 19.000 0.034 0.000 0.814 495 A HN 0.225 nan 8.150 nan 0.000 0.446 496 V N -0.223 119.638 119.914 -0.088 0.000 2.667 496 V HA -0.156 3.956 4.120 -0.012 0.000 0.252 496 V C 2.691 178.722 176.094 -0.106 0.000 1.065 496 V CA 2.072 64.322 62.300 -0.083 0.000 1.083 496 V CB -0.425 31.370 31.823 -0.046 0.000 0.692 496 V HN 0.572 nan 8.190 nan 0.000 0.468 497 S N -0.271 115.327 115.700 -0.170 0.000 2.357 497 S HA -0.174 4.289 4.470 -0.012 0.000 0.221 497 S C 2.098 176.602 174.600 -0.160 0.000 1.031 497 S CA 1.417 59.497 58.200 -0.200 0.000 0.982 497 S CB -0.330 62.584 63.200 -0.476 0.000 0.853 497 S HN 0.553 nan 8.310 nan 0.000 0.458 498 R N 1.342 121.632 120.500 -0.350 0.000 2.096 498 R HA -0.048 4.285 4.340 -0.012 0.000 0.235 498 R C 2.281 178.357 176.300 -0.373 0.000 1.127 498 R CA 1.241 57.136 56.100 -0.342 0.000 0.968 498 R CB -0.428 29.589 30.300 -0.471 0.000 0.861 498 R HN 0.379 nan 8.270 nan 0.000 0.440 499 A N 1.396 124.065 122.820 -0.253 0.000 1.841 499 A HA -0.119 4.193 4.320 -0.012 0.000 0.214 499 A C 2.180 179.717 177.584 -0.078 0.000 1.195 499 A CA 1.348 53.276 52.037 -0.181 0.000 0.611 499 A CB -0.599 18.315 19.000 -0.145 0.000 0.835 499 A HN 0.335 nan 8.150 nan 0.000 0.443 500 I N -1.036 119.504 120.570 -0.050 0.000 2.194 500 I HA -0.293 3.870 4.170 -0.012 0.000 0.246 500 I C 2.760 178.885 176.117 0.014 0.000 1.093 500 I CA 1.806 63.092 61.300 -0.024 0.000 1.355 500 I CB -0.220 37.779 38.000 -0.001 0.000 1.046 500 I HN 0.270 nan 8.210 nan 0.000 0.413 501 R N 0.221 120.764 120.500 0.073 0.000 2.062 501 R HA -0.147 4.185 4.340 -0.012 0.000 0.229 501 R C 2.318 178.728 176.300 0.183 0.000 1.128 501 R CA 1.702 57.874 56.100 0.120 0.000 0.960 501 R CB -0.589 29.822 30.300 0.185 0.000 0.855 501 R HN 0.322 nan 8.270 nan 0.000 0.432 502 H N -0.252 118.818 119.070 0.001 0.000 2.293 502 H HA -0.048 4.501 4.556 -0.012 0.000 0.300 502 H C 1.738 177.094 175.328 0.046 0.000 1.082 502 H CA 1.760 57.814 56.048 0.010 0.000 1.308 502 H CB -0.443 29.301 29.762 -0.030 0.000 1.375 502 H HN 0.053 nan 8.280 nan 0.000 0.495 503 L N -0.424 120.878 121.223 0.132 0.000 2.046 503 L HA -0.176 4.156 4.340 -0.012 0.000 0.208 503 L C 2.390 179.276 176.870 0.025 0.000 1.077 503 L CA 1.362 56.256 54.840 0.091 0.000 0.747 503 L CB -0.579 41.481 42.059 0.001 0.000 0.896 503 L HN 0.256 nan 8.230 nan 0.000 0.432 504 M N -1.105 118.475 119.600 -0.032 0.000 2.117 504 M HA -0.213 4.260 4.480 -0.012 0.000 0.262 504 M C 2.292 178.588 176.300 -0.007 0.000 1.065 504 M CA 1.467 56.733 55.300 -0.056 0.000 1.114 504 M CB -1.017 31.554 32.600 -0.049 0.000 1.361 504 M HN 0.355 nan 8.290 nan 0.000 0.408 505 E N 0.302 120.506 120.200 0.007 0.000 2.051 505 E HA -0.249 4.094 4.350 -0.012 0.000 0.192 505 E C 2.032 178.612 176.600 -0.033 0.000 0.991 505 E CA 1.528 57.920 56.400 -0.013 0.000 0.799 505 E CB 0.159 29.847 29.700 -0.021 0.000 0.748 505 E HN 0.173 nan 8.360 nan 0.000 0.449 506 K N 1.260 121.647 120.400 -0.023 0.000 1.973 506 K HA -0.171 4.142 4.320 -0.012 0.000 0.212 506 K C 1.439 177.990 176.600 -0.082 0.000 1.047 506 K CA 2.039 58.268 56.287 -0.097 0.000 0.937 506 K CB -0.323 32.087 32.500 -0.151 0.000 0.721 506 K HN 0.223 nan 8.250 nan 0.000 0.440 507 N N 0.631 119.319 118.700 -0.019 0.000 2.434 507 N HA -0.030 4.703 4.740 -0.012 0.000 0.196 507 N C -1.001 174.526 175.510 0.028 0.000 1.183 507 N CA 0.367 53.426 53.050 0.015 0.000 0.849 507 N CB -0.100 38.439 38.487 0.088 0.000 0.992 507 N HN 0.246 nan 8.380 nan 0.000 0.460 508 E N -0.565 119.640 120.200 0.008 0.000 2.210 508 E HA -0.216 4.127 4.350 -0.012 0.000 0.201 508 E C -0.778 175.851 176.600 0.049 0.000 1.339 508 E CA 0.627 57.036 56.400 0.015 0.000 0.699 508 E CB -0.519 29.183 29.700 0.004 0.000 1.126 508 E HN 0.356 nan 8.360 nan 0.000 0.355 509 K N -0.177 120.264 120.400 0.068 0.000 2.306 509 K HA 0.541 4.853 4.320 -0.012 0.000 0.236 509 K C 0.123 176.795 176.600 0.120 0.000 1.013 509 K CA -0.676 55.692 56.287 0.135 0.000 0.857 509 K CB 1.642 34.313 32.500 0.287 0.000 1.214 509 K HN -0.045 nan 8.250 nan 0.000 0.449 510 T N 0.573 115.226 114.554 0.164 0.000 2.902 510 T HA 0.724 5.066 4.350 -0.012 0.000 0.283 510 T C -0.743 174.080 174.700 0.206 0.000 1.009 510 T CA -0.542 61.638 62.100 0.132 0.000 1.051 510 T CB 1.385 70.302 68.868 0.081 0.000 0.999 510 T HN 0.600 nan 8.240 nan 0.000 0.474 511 A N 2.145 125.052 122.820 0.146 0.000 2.572 511 A HA 0.798 5.111 4.320 -0.012 0.000 0.295 511 A C -1.984 175.671 177.584 0.118 0.000 1.072 511 A CA -0.654 51.482 52.037 0.165 0.000 0.691 511 A CB 1.191 20.272 19.000 0.135 0.000 1.291 511 A HN 0.624 nan 8.150 nan 0.000 0.404 512 L N 1.064 122.357 121.223 0.117 0.000 2.381 512 L HA 0.644 4.977 4.340 -0.012 0.000 0.274 512 L C -0.836 176.083 176.870 0.082 0.000 0.988 512 L CA -0.359 54.539 54.840 0.096 0.000 0.824 512 L CB 2.065 44.176 42.059 0.087 0.000 1.263 512 L HN 0.458 nan 8.230 nan 0.000 0.410 513 V N 4.227 124.180 119.914 0.065 0.000 2.443 513 V HA 0.454 4.567 4.120 -0.012 0.000 0.293 513 V C -0.249 175.845 176.094 0.001 0.000 1.021 513 V CA -0.830 61.494 62.300 0.039 0.000 0.848 513 V CB 2.044 33.887 31.823 0.033 0.000 0.998 513 V HN 0.383 nan 8.190 nan 0.000 0.424 514 V N 4.813 124.715 119.914 -0.021 0.000 2.498 514 V HA 0.536 4.648 4.120 -0.012 0.000 0.279 514 V C 0.059 176.060 176.094 -0.155 0.000 1.048 514 V CA 0.007 62.244 62.300 -0.104 0.000 0.967 514 V CB 1.302 33.060 31.823 -0.108 0.000 0.988 514 V HN 0.847 nan 8.190 nan 0.000 0.473 515 E N 2.295 122.336 120.200 -0.265 0.000 2.392 515 E HA 0.417 4.760 4.350 -0.012 0.000 0.279 515 E C -0.450 175.894 176.600 -0.426 0.000 0.964 515 E CA -0.596 55.651 56.400 -0.254 0.000 0.777 515 E CB 1.949 31.581 29.700 -0.113 0.000 1.249 515 E HN 0.682 nan 8.360 nan 0.000 0.449 516 H N -0.165 118.848 119.070 -0.094 0.000 2.755 516 H HA 0.131 4.679 4.556 -0.012 0.000 0.273 516 H C -0.384 174.909 175.328 -0.058 0.000 1.055 516 H CA -0.012 55.979 56.048 -0.096 0.000 1.191 516 H CB 1.362 31.080 29.762 -0.073 0.000 1.536 516 H HN 0.296 nan 8.280 nan 0.000 0.529 517 D N 1.769 122.194 120.400 0.042 0.000 2.396 517 D HA 0.071 4.703 4.640 -0.012 0.000 0.225 517 D C 1.347 177.665 176.300 0.031 0.000 1.121 517 D CA -0.225 53.806 54.000 0.052 0.000 0.853 517 D CB 1.924 42.757 40.800 0.056 0.000 1.043 517 D HN -0.135 nan 8.370 nan 0.000 0.500 518 V N 4.464 124.399 119.914 0.035 0.000 2.324 518 V HA -0.261 3.852 4.120 -0.012 0.000 0.250 518 V C 2.409 178.550 176.094 0.078 0.000 1.060 518 V CA 1.199 63.501 62.300 0.003 0.000 1.042 518 V CB -0.372 31.428 31.823 -0.038 0.000 0.650 518 V HN 0.553 nan 8.190 nan 0.000 0.450 519 L N -1.442 119.873 121.223 0.153 0.000 2.156 519 L HA -0.077 4.256 4.340 -0.012 0.000 0.208 519 L C 2.289 179.342 176.870 0.305 0.000 1.095 519 L CA 1.742 56.760 54.840 0.295 0.000 0.770 519 L CB -0.461 41.799 42.059 0.335 0.000 0.914 519 L HN 0.281 nan 8.230 nan 0.000 0.439 520 M N -1.184 118.516 119.600 0.167 0.000 2.099 520 M HA -0.200 4.273 4.480 -0.012 0.000 0.262 520 M C 2.202 178.579 176.300 0.129 0.000 1.067 520 M CA 1.770 57.139 55.300 0.116 0.000 1.124 520 M CB -0.058 32.572 32.600 0.051 0.000 1.353 520 M HN 0.165 nan 8.290 nan 0.000 0.410 521 I N 0.359 120.975 120.570 0.076 0.000 2.163 521 I HA -0.337 3.826 4.170 -0.012 0.000 0.243 521 I C 1.982 178.150 176.117 0.085 0.000 1.085 521 I CA 1.861 63.182 61.300 0.036 0.000 1.347 521 I CB -0.585 37.386 38.000 -0.048 0.000 1.044 521 I HN 0.397 nan 8.210 nan 0.000 0.408 522 D N -0.189 120.307 120.400 0.159 0.000 2.144 522 D HA -0.263 4.369 4.640 -0.012 0.000 0.200 522 D C 2.126 178.574 176.300 0.246 0.000 0.978 522 D CA 1.241 55.385 54.000 0.240 0.000 0.833 522 D CB -0.095 40.929 40.800 0.373 0.000 0.961 522 D HN 0.374 nan 8.370 nan 0.000 0.470 523 Y N 0.318 120.674 120.300 0.093 0.000 2.133 523 Y HA -0.122 4.421 4.550 -0.012 0.000 0.287 523 Y C 2.201 178.048 175.900 -0.087 0.000 1.134 523 Y CA 2.042 60.055 58.100 -0.146 0.000 1.133 523 Y CB -0.322 37.938 38.460 -0.332 0.000 0.987 523 Y HN 0.026 nan 8.280 nan 0.000 0.502 524 V N -2.265 117.738 119.914 0.149 0.000 3.129 524 V HA 0.114 4.227 4.120 -0.012 0.000 0.259 524 V C 0.757 176.861 176.094 0.018 0.000 1.116 524 V CA 0.546 62.891 62.300 0.075 0.000 1.127 524 V CB -0.781 31.110 31.823 0.112 0.000 0.742 524 V HN 0.203 nan 8.190 nan 0.000 0.474 525 S N 1.588 117.303 115.700 0.025 0.000 2.580 525 S HA 0.301 4.764 4.470 -0.012 0.000 0.274 525 S C 0.427 175.033 174.600 0.011 0.000 1.329 525 S CA -0.024 58.188 58.200 0.019 0.000 1.036 525 S CB 1.304 64.515 63.200 0.018 0.000 0.919 525 S HN 0.591 nan 8.310 nan 0.000 0.515 526 D N 0.738 121.147 120.400 0.016 0.000 2.514 526 D HA 0.207 4.840 4.640 -0.012 0.000 0.249 526 D C 0.652 176.966 176.300 0.023 0.000 1.036 526 D CA 0.519 54.528 54.000 0.015 0.000 0.911 526 D CB 0.564 41.371 40.800 0.013 0.000 1.145 526 D HN 0.353 nan 8.370 nan 0.000 0.495 527 R N -0.355 120.160 120.500 0.026 0.000 2.846 527 R HA 0.640 4.972 4.340 -0.012 0.000 0.263 527 R C -1.596 174.719 176.300 0.025 0.000 1.080 527 R CA -0.800 55.316 56.100 0.027 0.000 0.961 527 R CB 2.148 32.469 30.300 0.035 0.000 1.231 527 R HN -0.092 nan 8.270 nan 0.000 0.465 528 L N 0.794 122.031 121.223 0.023 0.000 2.393 528 L HA 0.606 4.939 4.340 -0.012 0.000 0.260 528 L C -1.564 175.333 176.870 0.046 0.000 1.002 528 L CA -0.406 54.446 54.840 0.019 0.000 0.818 528 L CB 2.271 44.313 42.059 -0.029 0.000 1.369 528 L HN 0.510 nan 8.230 nan 0.000 0.412 529 I N 4.095 124.709 120.570 0.073 0.000 2.439 529 I HA 0.430 4.593 4.170 -0.012 0.000 0.283 529 I C -0.998 175.201 176.117 0.136 0.000 1.023 529 I CA -0.751 60.605 61.300 0.095 0.000 1.100 529 I CB 1.914 40.012 38.000 0.164 0.000 1.238 529 I HN 0.206 nan 8.210 nan 0.000 0.445 530 V N 6.434 126.399 119.914 0.085 0.000 2.532 530 V HA 0.437 4.550 4.120 -0.012 0.000 0.295 530 V C -0.457 175.741 176.094 0.173 0.000 1.041 530 V CA -0.474 61.919 62.300 0.155 0.000 0.926 530 V CB 1.621 33.513 31.823 0.114 0.000 0.992 530 V HN 0.327 nan 8.190 nan 0.000 0.457 531 F N 2.301 122.251 119.950 -0.001 0.000 2.480 531 F HA 0.663 5.183 4.527 -0.012 0.000 0.329 531 F C 0.540 176.371 175.800 0.053 0.000 1.091 531 F CA -0.638 57.366 58.000 0.006 0.000 0.972 531 F CB 1.703 40.707 39.000 0.005 0.000 1.150 531 F HN 0.537 nan 8.300 nan 0.000 0.467 532 E N 0.243 120.558 120.200 0.192 0.000 2.446 532 E HA 0.818 5.161 4.350 -0.012 0.000 0.267 532 E C -0.285 176.371 176.600 0.093 0.000 0.955 532 E CA -1.119 55.358 56.400 0.128 0.000 0.842 532 E CB 2.443 32.185 29.700 0.070 0.000 1.504 532 E HN 0.758 nan 8.360 nan 0.000 0.438 533 G N 0.404 109.222 108.800 0.029 0.000 2.295 533 G HA2 -0.102 3.850 3.960 -0.012 0.000 0.195 533 G HA3 -0.102 3.850 3.960 -0.012 0.000 0.195 533 G C -1.436 173.316 174.900 -0.246 0.000 1.269 533 G CA -0.845 44.181 45.100 -0.123 0.000 1.170 533 G HN 0.411 nan 8.290 nan 0.000 0.511 534 E N 1.770 121.634 120.200 -0.560 0.000 2.149 534 E HA 0.422 4.764 4.350 -0.012 0.000 0.255 534 E C -2.597 173.966 176.600 -0.062 0.000 0.888 534 E CA -1.777 54.458 56.400 -0.275 0.000 0.742 534 E CB 2.225 31.760 29.700 -0.274 0.000 1.164 534 E HN 0.166 nan 8.360 nan 0.000 0.422 535 P HA -0.129 nan 4.420 nan 0.000 0.261 535 P C 0.855 178.205 177.300 0.083 0.000 1.165 535 P CA 1.205 64.346 63.100 0.067 0.000 0.759 535 P CB 0.457 32.179 31.700 0.037 0.000 0.772 536 G N 2.917 111.760 108.800 0.071 0.000 2.212 536 G HA2 -0.337 3.615 3.960 -0.012 0.000 0.266 536 G HA3 -0.337 3.615 3.960 -0.012 0.000 0.266 536 G C 1.000 176.109 174.900 0.349 0.000 0.978 536 G CA 0.549 45.691 45.100 0.070 0.000 0.632 536 G HN 0.553 nan 8.290 nan 0.000 0.537 537 R N -0.790 119.989 120.500 0.465 0.000 2.207 537 R HA 0.309 4.641 4.340 -0.012 0.000 0.180 537 R C 0.797 177.271 176.300 0.289 0.000 1.445 537 R CA 0.585 56.931 56.100 0.410 0.000 1.217 537 R CB 0.198 30.651 30.300 0.255 0.000 1.135 537 R HN 0.686 nan 8.270 nan 0.000 0.481 538 H N -0.759 118.364 119.070 0.087 0.000 2.930 538 H HA 0.667 5.216 4.556 -0.012 0.000 0.371 538 H C -1.119 174.215 175.328 0.011 0.000 1.169 538 H CA -0.961 54.957 56.048 -0.217 0.000 1.157 538 H CB 2.250 31.920 29.762 -0.154 0.000 1.789 538 H HN 0.360 nan 8.280 nan 0.000 0.547 539 G N 1.122 109.923 108.800 0.002 0.000 2.667 539 G HA2 0.480 4.432 3.960 -0.012 0.000 0.298 539 G HA3 0.480 4.432 3.960 -0.012 0.000 0.298 539 G C -1.442 173.499 174.900 0.069 0.000 1.377 539 G CA -1.092 44.100 45.100 0.154 0.000 0.964 539 G HN 0.729 nan 8.290 nan 0.000 0.493 540 R N 1.305 121.816 120.500 0.019 0.000 2.473 540 R HA 0.606 4.939 4.340 -0.012 0.000 0.303 540 R C -0.539 175.548 176.300 -0.355 0.000 1.002 540 R CA -0.638 55.383 56.100 -0.131 0.000 0.884 540 R CB 1.352 31.614 30.300 -0.062 0.000 1.173 540 R HN 0.692 nan 8.270 nan 0.000 0.464 541 A N 6.423 128.813 122.820 -0.718 0.000 2.347 541 A HA 0.325 4.638 4.320 -0.012 0.000 0.287 541 A C 0.300 177.546 177.584 -0.564 0.000 1.199 541 A CA -0.530 50.793 52.037 -1.190 0.000 0.851 541 A CB 0.267 18.112 19.000 -1.925 0.000 1.118 541 A HN 0.766 nan 8.150 nan 0.000 0.525 542 L N 2.997 124.002 121.223 -0.363 0.000 2.456 542 L HA 0.226 4.559 4.340 -0.012 0.000 0.246 542 L C -1.927 174.863 176.870 -0.133 0.000 1.238 542 L CA -1.542 53.191 54.840 -0.179 0.000 0.826 542 L CB 0.061 42.061 42.059 -0.098 0.000 1.150 542 L HN 0.424 nan 8.230 nan 0.000 0.514 543 P HA 0.248 nan 4.420 nan 0.000 0.279 543 P C -2.565 174.740 177.300 0.007 0.000 1.252 543 P CA -1.578 61.513 63.100 -0.017 0.000 0.811 543 P CB 0.119 31.799 31.700 -0.033 0.000 1.035 544 P HA 0.052 nan 4.420 nan 0.000 0.261 544 P C -0.510 176.803 177.300 0.021 0.000 1.183 544 P CA 0.962 64.095 63.100 0.054 0.000 0.761 544 P CB -0.104 31.637 31.700 0.069 0.000 0.785 545 M N 1.134 120.746 119.600 0.020 0.000 2.691 545 M HA 0.703 5.176 4.480 -0.012 0.000 0.293 545 M C 0.290 176.599 176.300 0.014 0.000 1.259 545 M CA -1.123 54.184 55.300 0.011 0.000 0.827 545 M CB 1.384 33.987 32.600 0.005 0.000 1.753 545 M HN 0.186 nan 8.290 nan 0.000 0.465 546 G N 0.858 109.668 108.800 0.017 0.000 2.559 546 G HA2 0.223 4.176 3.960 -0.012 0.000 0.235 546 G HA3 0.223 4.176 3.960 -0.012 0.000 0.235 546 G C 0.658 175.570 174.900 0.019 0.000 1.266 546 G CA -0.629 44.486 45.100 0.025 0.000 0.847 546 G HN 0.785 nan 8.290 nan 0.000 0.583 547 M N 0.770 120.385 119.600 0.025 0.000 2.082 547 M HA -0.113 4.359 4.480 -0.012 0.000 0.258 547 M C 2.435 178.717 176.300 -0.032 0.000 1.069 547 M CA 1.423 56.718 55.300 -0.008 0.000 1.102 547 M CB -1.056 31.576 32.600 0.054 0.000 1.336 547 M HN 0.797 nan 8.290 nan 0.000 0.404 548 R N 0.255 120.811 120.500 0.093 0.000 2.070 548 R HA -0.179 4.153 4.340 -0.012 0.000 0.233 548 R C 2.133 178.489 176.300 0.092 0.000 1.137 548 R CA 1.934 58.138 56.100 0.173 0.000 0.945 548 R CB -0.312 30.113 30.300 0.208 0.000 0.845 548 R HN 0.488 nan 8.270 nan 0.000 0.430 549 E N -0.857 119.381 120.200 0.062 0.000 2.153 549 E HA -0.138 4.205 4.350 -0.012 0.000 0.194 549 E C 1.676 178.281 176.600 0.008 0.000 0.988 549 E CA 1.298 57.722 56.400 0.040 0.000 0.811 549 E CB -0.168 29.550 29.700 0.031 0.000 0.746 549 E HN 0.537 nan 8.360 nan 0.000 0.466 550 G N 0.998 109.789 108.800 -0.015 0.000 2.454 550 G HA2 -0.204 3.748 3.960 -0.012 0.000 0.214 550 G HA3 -0.204 3.748 3.960 -0.012 0.000 0.214 550 G C 1.489 176.357 174.900 -0.053 0.000 1.217 550 G CA 0.747 45.828 45.100 -0.033 0.000 0.799 550 G HN 0.150 nan 8.290 nan 0.000 0.538 551 M N 0.971 120.467 119.600 -0.174 0.000 2.267 551 M HA -0.054 4.419 4.480 -0.012 0.000 0.263 551 M C 2.021 178.292 176.300 -0.047 0.000 1.063 551 M CA 0.758 55.916 55.300 -0.238 0.000 1.090 551 M CB -1.513 30.537 32.600 -0.917 0.000 1.392 551 M HN 0.344 nan 8.290 nan 0.000 0.422 552 N N -0.255 118.439 118.700 -0.011 0.000 2.106 552 N HA -0.176 4.556 4.740 -0.012 0.000 0.188 552 N C 1.823 177.237 175.510 -0.159 0.000 1.029 552 N CA 0.783 53.826 53.050 -0.010 0.000 0.848 552 N CB 0.012 38.533 38.487 0.056 0.000 1.007 552 N HN 0.114 nan 8.380 nan 0.000 0.423 553 R N 0.907 121.358 120.500 -0.082 0.000 2.075 553 R HA -0.070 4.263 4.340 -0.012 0.000 0.232 553 R C 1.731 177.974 176.300 -0.094 0.000 1.126 553 R CA 1.281 57.328 56.100 -0.089 0.000 0.963 553 R CB -0.871 29.415 30.300 -0.023 0.000 0.858 553 R HN 0.289 nan 8.270 nan 0.000 0.435 554 F N -0.065 119.809 119.950 -0.127 0.000 2.149 554 F HA 0.058 4.578 4.527 -0.012 0.000 0.294 554 F C 1.662 177.396 175.800 -0.109 0.000 1.095 554 F CA 1.114 59.056 58.000 -0.097 0.000 1.276 554 F CB -0.179 38.775 39.000 -0.077 0.000 1.023 554 F HN -0.005 nan 8.300 nan 0.000 0.480 555 L N 0.475 121.473 121.223 -0.375 0.000 2.127 555 L HA -0.200 4.133 4.340 -0.012 0.000 0.211 555 L C 2.696 179.300 176.870 -0.444 0.000 1.089 555 L CA 1.084 55.713 54.840 -0.351 0.000 0.757 555 L CB -0.997 41.120 42.059 0.097 0.000 0.899 555 L HN 0.305 nan 8.230 nan 0.000 0.434 556 A N -1.399 120.968 122.820 -0.755 0.000 2.121 556 A HA -0.166 4.146 4.320 -0.012 0.000 0.218 556 A C 2.412 179.789 177.584 -0.346 0.000 1.154 556 A CA 1.588 53.148 52.037 -0.796 0.000 0.679 556 A CB -0.390 18.086 19.000 -0.872 0.000 0.795 556 A HN 0.358 nan 8.150 nan 0.000 0.458 557 S N -1.585 113.873 115.700 -0.402 0.000 2.593 557 S HA 0.152 4.614 4.470 -0.012 0.000 0.217 557 S C 1.149 175.580 174.600 -0.281 0.000 0.966 557 S CA 0.965 58.980 58.200 -0.307 0.000 0.914 557 S CB -0.021 62.976 63.200 -0.339 0.000 0.776 557 S HN 0.229 nan 8.310 nan 0.000 0.523 558 V N -0.340 119.395 119.914 -0.297 0.000 3.350 558 V HA 0.404 4.517 4.120 -0.012 0.000 0.246 558 V C 1.214 177.270 176.094 -0.064 0.000 1.363 558 V CA 0.462 62.652 62.300 -0.183 0.000 1.162 558 V CB 0.382 32.059 31.823 -0.243 0.000 0.947 558 V HN 0.540 nan 8.190 nan 0.000 0.454 559 G N 1.761 110.564 108.800 0.005 0.000 2.248 559 G HA2 -0.164 3.788 3.960 -0.012 0.000 0.252 559 G HA3 -0.164 3.788 3.960 -0.012 0.000 0.252 559 G C -0.335 174.587 174.900 0.037 0.000 1.085 559 G CA 0.173 45.333 45.100 0.101 0.000 0.845 559 G HN 0.290 nan 8.290 nan 0.000 0.494 560 I N 0.905 121.521 120.570 0.075 0.000 2.545 560 I HA 0.593 4.756 4.170 -0.012 0.000 0.292 560 I C 0.651 176.790 176.117 0.038 0.000 1.040 560 I CA -0.340 60.917 61.300 -0.071 0.000 1.068 560 I CB 1.836 39.761 38.000 -0.125 0.000 1.251 560 I HN 0.371 nan 8.210 nan 0.000 0.424 561 T N 1.847 116.288 114.554 -0.189 0.000 2.918 561 T HA 0.796 5.139 4.350 -0.012 0.000 0.286 561 T C -0.885 173.638 174.700 -0.295 0.000 1.026 561 T CA -0.522 61.497 62.100 -0.136 0.000 1.031 561 T CB 1.814 70.508 68.868 -0.290 0.000 1.046 561 T HN 0.162 nan 8.240 nan 0.000 0.479 562 F N 0.383 120.252 119.950 -0.135 0.000 2.556 562 F HA 0.658 5.177 4.527 -0.012 0.000 0.314 562 F C 0.506 176.120 175.800 -0.310 0.000 1.106 562 F CA -1.090 56.814 58.000 -0.160 0.000 0.911 562 F CB 2.473 41.431 39.000 -0.070 0.000 1.190 562 F HN 0.680 nan 8.300 nan 0.000 0.448 563 R N 0.878 121.352 120.500 -0.043 0.000 2.917 563 R HA 0.749 5.082 4.340 -0.012 0.000 0.220 563 R C -1.014 175.315 176.300 0.048 0.000 1.485 563 R CA -0.944 55.171 56.100 0.024 0.000 1.037 563 R CB 1.245 31.574 30.300 0.049 0.000 1.929 563 R HN 0.625 nan 8.270 nan 0.000 0.526 564 R N 0.680 121.231 120.500 0.086 0.000 2.473 564 R HA 0.155 4.487 4.340 -0.012 0.000 0.303 564 R C -1.569 174.743 176.300 0.022 0.000 1.002 564 R CA -0.409 55.709 56.100 0.030 0.000 0.884 564 R CB 1.179 31.502 30.300 0.037 0.000 1.173 564 R HN 0.552 nan 8.270 nan 0.000 0.464 565 D N 5.377 125.776 120.400 -0.001 0.000 2.426 565 D HA -0.006 4.626 4.640 -0.012 0.000 0.261 565 D C -1.446 174.860 176.300 0.010 0.000 1.245 565 D CA -1.164 52.837 54.000 0.002 0.000 0.917 565 D CB 1.286 42.078 40.800 -0.013 0.000 1.123 565 D HN 0.275 nan 8.370 nan 0.000 0.508 566 P HA -0.158 nan 4.420 nan 0.000 0.217 566 P C 0.620 177.933 177.300 0.022 0.000 1.148 566 P CA 1.144 64.254 63.100 0.017 0.000 0.834 566 P CB 0.389 32.097 31.700 0.014 0.000 0.783 567 D N -1.565 118.849 120.400 0.024 0.000 2.320 567 D HA -0.045 4.588 4.640 -0.012 0.000 0.228 567 D C 2.115 178.442 176.300 0.045 0.000 0.978 567 D CA 1.587 55.606 54.000 0.032 0.000 0.905 567 D CB -0.474 40.346 40.800 0.032 0.000 1.051 567 D HN 0.213 nan 8.370 nan 0.000 0.471 568 S N 0.011 115.735 115.700 0.040 0.000 2.406 568 S HA 0.073 4.536 4.470 -0.012 0.000 0.228 568 S C 1.934 176.571 174.600 0.061 0.000 1.020 568 S CA 1.299 59.531 58.200 0.054 0.000 0.965 568 S CB -0.039 63.175 63.200 0.023 0.000 0.798 568 S HN 0.391 nan 8.310 nan 0.000 0.488 569 G N 2.148 110.961 108.800 0.021 0.000 2.179 569 G HA2 -0.333 3.620 3.960 -0.012 0.000 0.260 569 G HA3 -0.333 3.620 3.960 -0.012 0.000 0.260 569 G C 0.132 174.989 174.900 -0.072 0.000 0.977 569 G CA 0.224 45.349 45.100 0.041 0.000 0.641 569 G HN 1.004 nan 8.290 nan 0.000 0.533 570 R N 0.483 120.810 120.500 -0.290 0.000 2.560 570 R HA 0.591 4.923 4.340 -0.012 0.000 0.270 570 R C -2.508 173.633 176.300 -0.266 0.000 1.074 570 R CA -1.444 54.256 56.100 -0.667 0.000 1.140 570 R CB 0.732 30.578 30.300 -0.756 0.000 1.073 570 R HN 0.162 nan 8.270 nan 0.000 0.527 571 P HA 0.087 nan 4.420 nan 0.000 0.276 571 P C -1.146 176.255 177.300 0.168 0.000 1.253 571 P CA -0.293 62.812 63.100 0.009 0.000 0.766 571 P CB 0.986 32.700 31.700 0.022 0.000 0.845 572 R N 3.633 124.223 120.500 0.151 0.000 2.255 572 R HA 0.593 4.925 4.340 -0.012 0.000 0.326 572 R C -0.578 175.714 176.300 -0.015 0.000 0.986 572 R CA -0.557 55.594 56.100 0.086 0.000 0.847 572 R CB 0.391 30.703 30.300 0.019 0.000 1.111 572 R HN 0.492 nan 8.270 nan 0.000 0.452 573 A N 4.199 126.915 122.820 -0.175 0.000 2.340 573 A HA 0.350 4.663 4.320 -0.012 0.000 0.268 573 A C -0.657 176.739 177.584 -0.313 0.000 1.100 573 A CA -0.553 51.097 52.037 -0.645 0.000 0.803 573 A CB 0.274 18.935 19.000 -0.564 0.000 1.043 573 A HN 0.949 nan 8.150 nan 0.000 0.488 574 N N 0.872 119.351 118.700 -0.369 0.000 2.421 574 N HA 0.374 5.106 4.740 -0.012 0.000 0.285 574 N C -0.895 174.633 175.510 0.031 0.000 1.027 574 N CA -0.621 52.337 53.050 -0.153 0.000 0.918 574 N CB 1.090 39.466 38.487 -0.185 0.000 1.152 574 N HN 0.481 nan 8.380 nan 0.000 0.485 575 K N 1.353 121.799 120.400 0.077 0.000 2.326 575 K HA 0.006 4.319 4.320 -0.012 0.000 0.275 575 K C 0.012 176.681 176.600 0.116 0.000 1.018 575 K CA -0.234 56.130 56.287 0.129 0.000 0.962 575 K CB 0.420 32.886 32.500 -0.057 0.000 0.953 575 K HN 0.448 nan 8.250 nan 0.000 0.475 576 E N 1.416 121.726 120.200 0.183 0.000 2.652 576 E HA -0.073 4.270 4.350 -0.012 0.000 0.255 576 E C 0.255 176.862 176.600 0.011 0.000 0.952 576 E CA 0.841 57.297 56.400 0.092 0.000 0.947 576 E CB -0.097 29.659 29.700 0.092 0.000 0.912 576 E HN 0.720 nan 8.360 nan 0.000 0.489 577 G N 3.510 112.305 108.800 -0.008 0.000 2.246 577 G HA2 -0.290 3.663 3.960 -0.012 0.000 0.273 577 G HA3 -0.290 3.663 3.960 -0.012 0.000 0.273 577 G C 0.019 174.903 174.900 -0.027 0.000 1.055 577 G CA 0.455 45.541 45.100 -0.022 0.000 0.851 577 G HN 0.842 nan 8.290 nan 0.000 0.500 578 S N -1.884 113.797 115.700 -0.031 0.000 2.687 578 S HA 0.691 5.153 4.470 -0.012 0.000 0.283 578 S C 1.454 176.034 174.600 -0.034 0.000 1.170 578 S CA -0.117 58.064 58.200 -0.032 0.000 1.008 578 S CB 2.286 65.466 63.200 -0.034 0.000 1.026 578 S HN 0.667 nan 8.310 nan 0.000 0.541 579 V N 1.774 121.672 119.914 -0.027 0.000 2.287 579 V HA -0.172 3.941 4.120 -0.012 0.000 0.248 579 V C 2.642 178.719 176.094 -0.027 0.000 1.053 579 V CA 1.896 64.183 62.300 -0.023 0.000 1.027 579 V CB -0.814 31.000 31.823 -0.014 0.000 0.646 579 V HN 0.809 nan 8.190 nan 0.000 0.447 580 K N -0.168 120.215 120.400 -0.029 0.000 2.057 580 K HA -0.205 4.108 4.320 -0.012 0.000 0.207 580 K C 1.950 178.506 176.600 -0.074 0.000 1.049 580 K CA 1.823 58.090 56.287 -0.033 0.000 0.931 580 K CB -0.720 31.764 32.500 -0.027 0.000 0.714 580 K HN 0.565 nan 8.250 nan 0.000 0.440 581 D N 0.684 121.031 120.400 -0.088 0.000 2.158 581 D HA -0.154 4.479 4.640 -0.012 0.000 0.197 581 D C 1.921 178.144 176.300 -0.128 0.000 0.995 581 D CA 1.290 55.215 54.000 -0.126 0.000 0.846 581 D CB 0.221 40.965 40.800 -0.094 0.000 0.941 581 D HN 0.123 nan 8.370 nan 0.000 0.456 582 R N -0.039 120.411 120.500 -0.084 0.000 2.057 582 R HA -0.037 4.296 4.340 -0.012 0.000 0.229 582 R C 2.444 178.704 176.300 -0.067 0.000 1.136 582 R CA 1.371 57.428 56.100 -0.070 0.000 0.952 582 R CB -0.249 30.025 30.300 -0.043 0.000 0.848 582 R HN 0.357 nan 8.270 nan 0.000 0.430 583 E N 0.971 121.144 120.200 -0.046 0.000 2.038 583 E HA -0.243 4.100 4.350 -0.012 0.000 0.195 583 E C 2.185 178.765 176.600 -0.034 0.000 1.000 583 E CA 1.189 57.576 56.400 -0.022 0.000 0.803 583 E CB -0.124 29.579 29.700 0.006 0.000 0.750 583 E HN 0.384 nan 8.360 nan 0.000 0.448 584 Q N 0.838 120.597 119.800 -0.069 0.000 2.096 584 Q HA -0.192 4.141 4.340 -0.012 0.000 0.204 584 Q C 2.115 177.991 176.000 -0.206 0.000 0.982 584 Q CA 1.342 57.070 55.803 -0.124 0.000 0.850 584 Q CB -0.153 28.435 28.738 -0.250 0.000 0.901 584 Q HN 0.224 nan 8.270 nan 0.000 0.422 585 K N 0.264 120.503 120.400 -0.267 0.000 2.103 585 K HA -0.034 4.279 4.320 -0.012 0.000 0.204 585 K C 2.073 178.600 176.600 -0.122 0.000 1.052 585 K CA 0.886 56.977 56.287 -0.327 0.000 0.945 585 K CB -0.109 32.215 32.500 -0.294 0.000 0.722 585 K HN 0.114 nan 8.250 nan 0.000 0.443 586 A N 1.463 124.241 122.820 -0.070 0.000 2.076 586 A HA -0.159 4.154 4.320 -0.012 0.000 0.220 586 A C 1.706 179.296 177.584 0.009 0.000 1.160 586 A CA 1.336 53.361 52.037 -0.019 0.000 0.653 586 A CB -0.236 18.756 19.000 -0.014 0.000 0.801 586 A HN 0.222 nan 8.150 nan 0.000 0.455 587 R N -1.686 118.823 120.500 0.014 0.000 2.432 587 R HA 0.302 4.635 4.340 -0.012 0.000 0.260 587 R C 1.060 177.412 176.300 0.087 0.000 0.935 587 R CA 0.448 56.579 56.100 0.053 0.000 1.080 587 R CB 0.167 30.509 30.300 0.070 0.000 1.155 587 R HN 0.542 nan 8.270 nan 0.000 0.531 588 G N 1.890 110.744 108.800 0.089 0.000 2.258 588 G HA2 -0.323 3.629 3.960 -0.012 0.000 0.274 588 G HA3 -0.323 3.629 3.960 -0.012 0.000 0.274 588 G C -0.400 174.687 174.900 0.312 0.000 1.021 588 G CA 0.246 45.494 45.100 0.246 0.000 0.798 588 G HN 0.434 nan 8.290 nan 0.000 0.507 589 E N -0.455 119.829 120.200 0.140 0.000 2.103 589 E HA 0.453 4.796 4.350 -0.012 0.000 0.254 589 E C 0.274 176.867 176.600 -0.010 0.000 0.940 589 E CA -0.809 55.689 56.400 0.163 0.000 0.771 589 E CB 0.365 30.189 29.700 0.207 0.000 1.153 589 E HN 0.421 nan 8.360 nan 0.000 0.428 590 Y N 0.804 121.105 120.300 0.002 0.000 2.517 590 Y HA 0.073 4.616 4.550 -0.012 0.000 0.281 590 Y C 0.093 176.059 175.900 0.109 0.000 1.125 590 Y CA 0.174 58.289 58.100 0.025 0.000 1.283 590 Y CB 0.326 38.830 38.460 0.073 0.000 1.042 590 Y HN 0.449 nan 8.280 nan 0.000 0.547 591 Y N -0.614 119.734 120.300 0.080 0.000 2.433 591 Y HA 0.422 4.965 4.550 -0.012 0.000 0.337 591 Y C -1.448 174.524 175.900 0.121 0.000 1.026 591 Y CA -1.893 56.250 58.100 0.072 0.000 1.037 591 Y CB 1.021 39.552 38.460 0.118 0.000 1.245 591 Y HN -0.120 nan 8.280 nan 0.000 0.443 592 Y N 4.434 124.635 120.300 -0.165 0.000 2.387 592 Y HA 0.630 5.173 4.550 -0.012 0.000 0.336 592 Y C 0.656 176.469 175.900 -0.145 0.000 1.067 592 Y CA -0.655 57.394 58.100 -0.085 0.000 1.114 592 Y CB 1.759 40.174 38.460 -0.076 0.000 1.208 592 Y HN 0.983 nan 8.280 nan 0.000 0.458 593 A N 0.000 122.932 122.820 0.186 0.000 2.254 593 A HA 0.000 4.313 4.320 -0.012 0.000 0.244 593 A CA 0.000 52.119 52.037 0.136 0.000 0.836 593 A CB 0.000 19.042 19.000 0.070 0.000 0.831 593 A HN 0.000 nan 8.150 nan 0.000 0.486