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 1aoz_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQIRHYKWEV EYMFWAPNcN ENIVMGINGQ FPGPTIRANA GDSVVVELTN DATA SEQUENCE KLHTEGVVIH WHGILQRGTP WADGTASISQ cAINPGETFF YNFTVDNPGT DATA SEQUENCE FFYHGHLGMQ RSAGLYGSLI VDPPQGKKEP FHYDGEINLL LSDWWHQSIH DATA SEQUENCE KQEVGLSSKP IRWIGEPQTI LLNGRGQFDc SIAAKYDSNL EPcKLKGSES DATA SEQUENCE cAPYIFHVSP KKTYRIRIAS TTALAALNFA IGNHQLLVVE ADGNYVQPFY DATA SEQUENCE TSDIDIYSGE SYSVLITTDQ NPSENYWVSV GTRARHPNTP PGLTLLNYLP DATA SEQUENCE NSVSKLPTSP PPQTPAWDDF DRSKNFTYRI TAAMGSPKPP VKFNRRIFLL DATA SEQUENCE NTQNVINGYV KWAINDVSLA LPPTPYLGAM KYNLLHAFDQ NPPPEVFPED DATA SEQUENCE YDIDTPPTNE KTRIGNGVYQ FKIGEVVDVI LQNANMMKEN LSETHPWHLH DATA SEQUENCE GHDFWVLGYG DGKFSAEEES SLNLKNPPLR NTVVIFPYGW TAIRFVADNP DATA SEQUENCE GVWAFHCHIE PHLHMGMGVV FAEGVEKVGR IPTKALAcGG TAKSLINNPK DATA SEQUENCE NP 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.587 174.600 -0.022 0.000 1.055 1 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 1 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 2 Q N 0.900 120.684 119.800 -0.026 0.000 2.306 2 Q HA 0.628 4.969 4.340 0.002 0.000 0.269 2 Q C -0.690 175.281 176.000 -0.048 0.000 1.053 2 Q CA -0.685 55.098 55.803 -0.032 0.000 0.879 2 Q CB 1.796 30.518 28.738 -0.027 0.000 1.344 2 Q HN 0.727 nan 8.270 nan 0.000 0.464 3 I N 2.132 122.670 120.570 -0.054 0.000 2.321 3 I HA 0.258 4.429 4.170 0.002 0.000 0.291 3 I C -0.087 175.983 176.117 -0.077 0.000 0.998 3 I CA -0.676 60.580 61.300 -0.073 0.000 1.227 3 I CB 0.769 38.734 38.000 -0.059 0.000 1.368 3 I HN 0.077 nan 8.210 nan 0.000 0.466 4 R N 5.378 125.818 120.500 -0.100 0.000 2.215 4 R HA 0.346 4.687 4.340 0.002 0.000 0.336 4 R C -0.804 175.385 176.300 -0.186 0.000 0.996 4 R CA -0.636 55.388 56.100 -0.127 0.000 0.847 4 R CB 0.731 31.028 30.300 -0.004 0.000 1.127 4 R HN 0.620 nan 8.270 nan 0.000 0.465 5 H N 2.167 120.994 119.070 -0.405 0.000 2.466 5 H HA 0.423 4.980 4.556 0.002 0.000 0.338 5 H C -1.001 173.969 175.328 -0.596 0.000 1.091 5 H CA -0.540 55.305 56.048 -0.338 0.000 1.207 5 H CB 0.847 30.494 29.762 -0.191 0.000 1.466 5 H HN 0.420 nan 8.280 nan 0.000 0.493 6 Y N 2.810 123.100 120.300 -0.017 0.000 2.524 6 Y HA 0.348 4.899 4.550 0.002 0.000 0.344 6 Y C -0.261 175.567 175.900 -0.119 0.000 1.012 6 Y CA -0.987 57.002 58.100 -0.186 0.000 1.068 6 Y CB 1.885 39.923 38.460 -0.703 0.000 1.249 6 Y HN 0.411 nan 8.280 nan 0.000 0.468 7 K N 2.664 123.120 120.400 0.092 0.000 2.613 7 K HA 0.304 4.625 4.320 0.002 0.000 0.248 7 K C -2.312 174.490 176.600 0.336 0.000 0.959 7 K CA -0.393 55.977 56.287 0.138 0.000 0.855 7 K CB 0.976 33.553 32.500 0.129 0.000 1.143 7 K HN 0.658 nan 8.250 nan 0.000 0.437 8 W N 2.067 123.428 121.300 0.102 0.000 2.915 8 W HA 0.421 5.082 4.660 0.002 0.000 0.337 8 W C -0.359 176.192 176.519 0.053 0.000 1.102 8 W CA -0.791 56.605 57.345 0.084 0.000 1.224 8 W CB 1.505 31.020 29.460 0.092 0.000 1.416 8 W HN 0.441 nan 8.180 nan 0.000 0.503 9 E N 1.370 121.705 120.200 0.225 0.000 2.176 9 E HA 0.476 4.827 4.350 0.002 0.000 0.267 9 E C -0.990 175.637 176.600 0.046 0.000 0.893 9 E CA -0.891 55.578 56.400 0.115 0.000 0.761 9 E CB 2.671 32.411 29.700 0.067 0.000 1.133 9 E HN 0.001 nan 8.360 nan 0.000 0.409 10 V N 2.839 122.766 119.914 0.023 0.000 2.407 10 V HA 0.366 4.487 4.120 0.002 0.000 0.278 10 V C -0.057 175.973 176.094 -0.107 0.000 1.037 10 V CA -0.233 62.034 62.300 -0.056 0.000 0.900 10 V CB 1.106 32.895 31.823 -0.058 0.000 0.983 10 V HN 0.740 nan 8.190 nan 0.000 0.459 11 E N 2.964 123.078 120.200 -0.143 0.000 2.363 11 E HA 0.467 4.818 4.350 0.002 0.000 0.281 11 E C -1.796 174.727 176.600 -0.127 0.000 0.953 11 E CA -0.689 55.632 56.400 -0.133 0.000 0.778 11 E CB 1.707 31.371 29.700 -0.060 0.000 1.220 11 E HN 0.520 nan 8.360 nan 0.000 0.431 12 Y N 2.982 123.238 120.300 -0.072 0.000 2.314 12 Y HA 0.430 4.981 4.550 0.002 0.000 0.334 12 Y C 0.678 176.520 175.900 -0.097 0.000 1.266 12 Y CA 0.080 58.128 58.100 -0.087 0.000 1.391 12 Y CB 1.019 39.425 38.460 -0.089 0.000 1.306 12 Y HN 0.501 nan 8.280 nan 0.000 0.558 13 M N 0.237 119.882 119.600 0.075 0.000 2.682 13 M HA 0.527 5.008 4.480 0.002 0.000 0.272 13 M C -2.170 174.103 176.300 -0.045 0.000 1.232 13 M CA -0.858 54.456 55.300 0.023 0.000 0.849 13 M CB 1.826 34.489 32.600 0.105 0.000 1.695 13 M HN 0.306 nan 8.290 nan 0.000 0.481 14 F N 1.760 121.812 119.950 0.170 0.000 2.396 14 F HA 0.658 5.186 4.527 0.002 0.000 0.343 14 F C -0.300 175.660 175.800 0.268 0.000 1.104 14 F CA 0.449 58.541 58.000 0.153 0.000 1.161 14 F CB 0.982 40.033 39.000 0.085 0.000 1.146 14 F HN 0.466 nan 8.300 nan 0.000 0.522 15 W N 1.643 123.006 121.300 0.105 0.000 3.066 15 W HA 0.639 5.300 4.660 0.002 0.000 0.330 15 W C -1.757 174.724 176.519 -0.064 0.000 1.253 15 W CA -1.316 56.021 57.345 -0.013 0.000 1.187 15 W CB 2.187 31.565 29.460 -0.137 0.000 1.434 15 W HN 0.431 nan 8.180 nan 0.000 0.572 16 A N 4.370 126.924 122.820 -0.445 0.000 2.893 16 A HA 0.471 4.792 4.320 0.002 0.000 0.333 16 A C -2.269 175.147 177.584 -0.280 0.000 1.152 16 A CA -1.169 50.696 52.037 -0.286 0.000 0.782 16 A CB 1.077 19.918 19.000 -0.265 0.000 1.108 16 A HN 0.197 nan 8.150 nan 0.000 0.469 17 P HA -0.151 nan 4.420 nan 0.000 0.216 17 P C 0.690 177.942 177.300 -0.079 0.000 1.150 17 P CA 1.654 64.682 63.100 -0.120 0.000 0.837 17 P CB 0.055 31.411 31.700 -0.574 0.000 0.786 18 N N -2.662 115.977 118.700 -0.101 0.000 2.416 18 N HA 0.177 4.918 4.740 0.002 0.000 0.267 18 N C -0.498 175.044 175.510 0.054 0.000 1.294 18 N CA -0.434 52.642 53.050 0.043 0.000 0.891 18 N CB -0.473 38.118 38.487 0.175 0.000 1.238 18 N HN -0.148 nan 8.380 nan 0.000 0.508 19 c N 0.311 118.893 118.600 -0.030 0.000 4.297 19 c HA -0.167 4.404 4.570 0.002 0.000 0.290 19 c C -0.362 173.704 174.090 -0.040 0.000 1.444 19 c CA 0.292 56.593 56.329 -0.047 0.000 1.982 19 c CB -2.690 39.818 42.510 -0.004 0.000 1.276 19 c HN 0.690 nan 8.230 nan 0.000 0.797 20 N N 0.700 119.365 118.700 -0.059 0.000 2.448 20 N HA 0.265 5.006 4.740 0.002 0.000 0.279 20 N C -0.542 174.912 175.510 -0.093 0.000 1.025 20 N CA -0.253 52.735 53.050 -0.104 0.000 0.898 20 N CB 1.378 39.714 38.487 -0.253 0.000 1.303 20 N HN 0.595 nan 8.380 nan 0.000 0.495 21 E N 2.157 122.320 120.200 -0.061 0.000 2.344 21 E HA 0.084 4.435 4.350 0.002 0.000 0.270 21 E C -0.690 175.962 176.600 0.086 0.000 1.021 21 E CA 0.063 56.470 56.400 0.012 0.000 0.887 21 E CB 0.591 30.297 29.700 0.011 0.000 0.997 21 E HN 0.452 nan 8.360 nan 0.000 0.429 22 N N 2.722 121.532 118.700 0.185 0.000 3.316 22 N HA 0.358 5.099 4.740 0.002 0.000 0.300 22 N C -1.287 174.351 175.510 0.213 0.000 1.567 22 N CA -0.608 52.576 53.050 0.223 0.000 0.821 22 N CB 1.060 39.756 38.487 0.347 0.000 1.748 22 N HN 0.509 nan 8.380 nan 0.000 0.603 23 I N -0.957 119.670 120.570 0.094 0.000 2.437 23 I HA 0.666 4.837 4.170 0.002 0.000 0.298 23 I C -0.256 175.932 176.117 0.118 0.000 0.984 23 I CA -0.716 60.559 61.300 -0.041 0.000 1.214 23 I CB 1.684 39.504 38.000 -0.300 0.000 1.365 23 I HN 0.024 nan 8.210 nan 0.000 0.469 24 V N 5.993 125.952 119.914 0.075 0.000 2.960 24 V HA 0.437 4.558 4.120 0.002 0.000 0.315 24 V C -0.246 175.878 176.094 0.051 0.000 1.087 24 V CA -1.000 61.283 62.300 -0.028 0.000 0.982 24 V CB 2.310 33.851 31.823 -0.470 0.000 1.039 24 V HN 0.834 nan 8.190 nan 0.000 0.437 25 M N 3.514 123.103 119.600 -0.019 0.000 2.094 25 M HA 0.514 4.995 4.480 0.002 0.000 0.348 25 M C 0.290 176.498 176.300 -0.153 0.000 1.267 25 M CA -0.114 55.098 55.300 -0.146 0.000 1.125 25 M CB 0.292 32.755 32.600 -0.228 0.000 1.527 25 M HN 0.800 nan 8.290 nan 0.000 0.447 26 G N 5.108 113.817 108.800 -0.152 0.000 2.437 26 G HA2 0.686 4.647 3.960 0.002 0.000 0.319 26 G HA3 0.686 4.647 3.960 0.002 0.000 0.319 26 G C -0.870 173.928 174.900 -0.170 0.000 1.158 26 G CA -0.679 44.323 45.100 -0.162 0.000 0.899 26 G HN 0.747 nan 8.290 nan 0.000 0.502 27 I N 1.211 121.652 120.570 -0.215 0.000 2.418 27 I HA 0.185 4.356 4.170 0.002 0.000 0.287 27 I C -0.302 175.677 176.117 -0.230 0.000 1.008 27 I CA -0.752 60.393 61.300 -0.258 0.000 1.104 27 I CB 1.787 39.497 38.000 -0.484 0.000 1.264 27 I HN 0.451 nan 8.210 nan 0.000 0.438 28 N N 4.923 123.551 118.700 -0.120 0.000 2.721 28 N HA -0.200 4.541 4.740 0.002 0.000 0.249 28 N C 0.931 176.413 175.510 -0.047 0.000 1.072 28 N CA 1.411 54.434 53.050 -0.045 0.000 0.710 28 N CB -0.941 37.536 38.487 -0.016 0.000 0.993 28 N HN 1.149 nan 8.380 nan 0.000 0.547 29 G N -1.949 106.814 108.800 -0.061 0.000 2.162 29 G HA2 -0.336 3.625 3.960 0.002 0.000 0.260 29 G HA3 -0.336 3.625 3.960 0.002 0.000 0.260 29 G C -0.197 174.620 174.900 -0.139 0.000 0.976 29 G CA 0.655 45.724 45.100 -0.052 0.000 0.655 29 G HN 0.468 nan 8.290 nan 0.000 0.533 30 Q N -0.842 118.840 119.800 -0.197 0.000 2.274 30 Q HA 0.754 5.095 4.340 0.002 0.000 0.260 30 Q C -0.954 174.829 176.000 -0.362 0.000 0.974 30 Q CA -0.831 54.806 55.803 -0.278 0.000 0.876 30 Q CB 2.106 30.715 28.738 -0.215 0.000 1.297 30 Q HN 0.510 nan 8.270 nan 0.000 0.446 31 F N 2.405 121.938 119.950 -0.696 0.000 2.562 31 F HA 0.495 5.023 4.527 0.002 0.000 0.319 31 F C -2.540 172.969 175.800 -0.485 0.000 1.154 31 F CA -2.284 55.296 58.000 -0.701 0.000 0.931 31 F CB 1.394 39.753 39.000 -1.067 0.000 1.198 31 F HN 0.315 nan 8.300 nan 0.000 0.444 32 P HA 0.265 nan 4.420 nan 0.000 0.271 32 P C 0.004 177.012 177.300 -0.487 0.000 1.238 32 P CA -0.119 62.427 63.100 -0.924 0.000 0.794 32 P CB 0.470 31.776 31.700 -0.657 0.000 0.959 33 G N 0.711 109.280 108.800 -0.386 0.000 2.716 33 G HA2 0.303 4.264 3.960 0.002 0.000 0.251 33 G HA3 0.303 4.264 3.960 0.002 0.000 0.251 33 G C -2.409 172.390 174.900 -0.168 0.000 1.224 33 G CA -0.763 44.171 45.100 -0.276 0.000 0.891 33 G HN 0.339 nan 8.290 nan 0.000 0.561 34 P HA 0.214 nan 4.420 nan 0.000 0.271 34 P C 0.001 177.427 177.300 0.211 0.000 1.218 34 P CA -0.059 63.057 63.100 0.027 0.000 0.780 34 P CB 0.637 32.389 31.700 0.086 0.000 0.901 35 T N 2.880 117.553 114.554 0.199 0.000 2.869 35 T HA 0.362 4.713 4.350 0.002 0.000 0.295 35 T C 0.523 175.370 174.700 0.244 0.000 0.987 35 T CA -0.119 62.118 62.100 0.230 0.000 1.109 35 T CB -0.041 68.918 68.868 0.151 0.000 0.932 35 T HN 0.196 nan 8.240 nan 0.000 0.518 36 I N 3.309 124.003 120.570 0.207 0.000 2.331 36 I HA 0.451 4.622 4.170 0.002 0.000 0.292 36 I C 0.505 176.718 176.117 0.159 0.000 0.998 36 I CA -0.501 60.803 61.300 0.008 0.000 1.267 36 I CB 1.044 38.947 38.000 -0.163 0.000 1.386 36 I HN 0.355 nan 8.210 nan 0.000 0.476 37 R N 5.078 125.703 120.500 0.208 0.000 2.621 37 R HA 0.867 5.208 4.340 0.002 0.000 0.292 37 R C -1.438 174.958 176.300 0.160 0.000 0.969 37 R CA -0.351 55.853 56.100 0.174 0.000 0.887 37 R CB 2.049 32.443 30.300 0.157 0.000 1.180 37 R HN 0.780 nan 8.270 nan 0.000 0.450 38 A N 2.982 125.878 122.820 0.126 0.000 2.567 38 A HA 0.550 4.871 4.320 0.002 0.000 0.289 38 A C -1.525 176.107 177.584 0.079 0.000 1.177 38 A CA -1.006 51.085 52.037 0.091 0.000 0.694 38 A CB 1.663 20.701 19.000 0.063 0.000 1.292 38 A HN 0.827 nan 8.150 nan 0.000 0.425 39 N N -0.346 118.386 118.700 0.053 0.000 2.370 39 N HA 0.585 5.326 4.740 0.002 0.000 0.303 39 N C -0.341 175.194 175.510 0.043 0.000 1.103 39 N CA -0.359 52.720 53.050 0.049 0.000 0.848 39 N CB 1.928 40.434 38.487 0.031 0.000 1.235 39 N HN 0.920 nan 8.380 nan 0.000 0.496 40 A N 0.629 123.479 122.820 0.050 0.000 2.492 40 A HA 0.485 4.806 4.320 0.002 0.000 0.254 40 A C 1.329 178.926 177.584 0.021 0.000 1.091 40 A CA 0.810 52.872 52.037 0.041 0.000 0.768 40 A CB -0.840 18.191 19.000 0.051 0.000 1.028 40 A HN 0.972 nan 8.150 nan 0.000 0.498 41 G N 2.289 111.094 108.800 0.008 0.000 2.284 41 G HA2 -0.141 3.820 3.960 0.002 0.000 0.201 41 G HA3 -0.141 3.820 3.960 0.002 0.000 0.201 41 G C -0.142 174.747 174.900 -0.018 0.000 0.998 41 G CA 0.126 45.224 45.100 -0.004 0.000 0.651 41 G HN 0.731 nan 8.290 nan 0.000 0.489 42 D N 1.046 121.432 120.400 -0.023 0.000 2.329 42 D HA 0.604 5.245 4.640 0.002 0.000 0.246 42 D C 0.268 176.514 176.300 -0.090 0.000 1.111 42 D CA 0.230 54.202 54.000 -0.047 0.000 0.941 42 D CB 1.362 42.139 40.800 -0.038 0.000 1.169 42 D HN 0.097 nan 8.370 nan 0.000 0.441 43 S N -0.008 115.621 115.700 -0.119 0.000 2.508 43 S HA 0.469 4.941 4.470 0.002 0.000 0.284 43 S C -0.241 174.189 174.600 -0.282 0.000 1.192 43 S CA -0.761 57.324 58.200 -0.191 0.000 1.070 43 S CB 1.234 64.345 63.200 -0.149 0.000 1.004 43 S HN 0.137 nan 8.310 nan 0.000 0.493 44 V N 3.686 123.280 119.914 -0.533 0.000 2.513 44 V HA 0.539 4.660 4.120 0.002 0.000 0.299 44 V C -0.529 175.149 176.094 -0.693 0.000 1.035 44 V CA -0.575 61.336 62.300 -0.649 0.000 0.889 44 V CB 1.810 33.001 31.823 -1.053 0.000 0.988 44 V HN 0.644 nan 8.190 nan 0.000 0.440 45 V N 5.322 124.970 119.914 -0.444 0.000 2.443 45 V HA 0.463 4.584 4.120 0.002 0.000 0.293 45 V C -0.518 175.349 176.094 -0.377 0.000 1.021 45 V CA -0.515 61.553 62.300 -0.388 0.000 0.848 45 V CB 2.055 33.629 31.823 -0.414 0.000 0.998 45 V HN 0.593 nan 8.190 nan 0.000 0.424 46 V N 5.566 125.305 119.914 -0.293 0.000 2.350 46 V HA 0.417 4.538 4.120 0.002 0.000 0.285 46 V C -0.019 175.960 176.094 -0.191 0.000 1.014 46 V CA -0.652 61.462 62.300 -0.309 0.000 0.831 46 V CB 1.729 33.337 31.823 -0.359 0.000 1.000 46 V HN 1.007 nan 8.190 nan 0.000 0.433 47 E N 5.274 125.297 120.200 -0.295 0.000 2.156 47 E HA 0.643 4.994 4.350 0.002 0.000 0.279 47 E C -1.063 175.438 176.600 -0.165 0.000 0.965 47 E CA -0.867 55.218 56.400 -0.524 0.000 0.789 47 E CB 2.419 31.579 29.700 -0.900 0.000 1.098 47 E HN 0.400 nan 8.360 nan 0.000 0.397 48 L N 2.739 123.934 121.223 -0.048 0.000 2.325 48 L HA 0.378 4.719 4.340 0.002 0.000 0.281 48 L C -0.963 175.966 176.870 0.098 0.000 1.004 48 L CA -0.103 54.831 54.840 0.156 0.000 0.823 48 L CB 2.063 44.340 42.059 0.363 0.000 1.236 48 L HN 0.577 nan 8.230 nan 0.000 0.415 49 T N 4.484 119.096 114.554 0.096 0.000 2.795 49 T HA 0.279 4.630 4.350 0.002 0.000 0.282 49 T C -0.168 174.575 174.700 0.071 0.000 0.980 49 T CA -0.260 61.879 62.100 0.066 0.000 1.012 49 T CB 0.513 69.410 68.868 0.047 0.000 0.936 49 T HN 0.655 nan 8.240 nan 0.000 0.457 50 N N 2.483 121.214 118.700 0.051 0.000 2.414 50 N HA 0.179 4.920 4.740 0.002 0.000 0.256 50 N C 0.043 175.546 175.510 -0.011 0.000 1.029 50 N CA -0.413 52.650 53.050 0.022 0.000 0.948 50 N CB 0.259 38.761 38.487 0.024 0.000 1.102 50 N HN 0.441 nan 8.380 nan 0.000 0.496 51 K N 4.129 124.500 120.400 -0.049 0.000 2.896 51 K HA 0.264 4.585 4.320 0.002 0.000 0.210 51 K C -0.586 175.892 176.600 -0.204 0.000 1.116 51 K CA -0.262 55.965 56.287 -0.101 0.000 1.050 51 K CB 0.552 33.009 32.500 -0.073 0.000 0.812 51 K HN 0.445 nan 8.250 nan 0.000 0.462 52 L N 0.286 121.416 121.223 -0.156 0.000 2.375 52 L HA 0.267 4.608 4.340 0.002 0.000 0.271 52 L C 1.197 177.996 176.870 -0.118 0.000 1.107 52 L CA -0.533 54.222 54.840 -0.141 0.000 0.806 52 L CB 0.720 42.734 42.059 -0.076 0.000 1.146 52 L HN 0.282 nan 8.230 nan 0.000 0.447 53 H N -0.060 119.064 119.070 0.090 0.000 2.363 53 H HA -0.091 4.466 4.556 0.002 0.000 0.301 53 H C 1.507 176.866 175.328 0.051 0.000 1.074 53 H CA 1.870 57.956 56.048 0.063 0.000 1.354 53 H CB 0.286 30.082 29.762 0.056 0.000 1.397 53 H HN 0.789 nan 8.280 nan 0.000 0.516 54 T N -2.731 111.926 114.554 0.171 0.000 3.004 54 T HA 0.212 4.563 4.350 0.002 0.000 0.266 54 T C 0.388 175.139 174.700 0.084 0.000 0.986 54 T CA -0.350 61.813 62.100 0.106 0.000 0.902 54 T CB 0.610 69.528 68.868 0.083 0.000 1.118 54 T HN 0.117 nan 8.240 nan 0.000 0.522 55 E N 1.164 121.420 120.200 0.093 0.000 2.191 55 E HA 0.572 4.923 4.350 0.002 0.000 0.278 55 E C 0.247 176.871 176.600 0.040 0.000 0.972 55 E CA -0.971 55.476 56.400 0.078 0.000 0.804 55 E CB 1.666 31.434 29.700 0.114 0.000 1.110 55 E HN 0.440 nan 8.360 nan 0.000 0.394 56 G N 0.974 109.792 108.800 0.031 0.000 2.616 56 G HA2 0.433 4.394 3.960 0.002 0.000 0.268 56 G HA3 0.433 4.394 3.960 0.002 0.000 0.268 56 G C -0.791 174.113 174.900 0.007 0.000 1.213 56 G CA -0.214 44.893 45.100 0.012 0.000 0.926 56 G HN 0.342 nan 8.290 nan 0.000 0.523 57 V N -0.820 119.096 119.914 0.003 0.000 3.204 57 V HA 0.687 4.808 4.120 0.002 0.000 0.298 57 V C -1.004 175.108 176.094 0.030 0.000 1.328 57 V CA -0.065 62.241 62.300 0.010 0.000 1.035 57 V CB 2.254 34.076 31.823 -0.003 0.000 1.095 57 V HN 1.424 nan 8.190 nan 0.000 0.442 58 V N 2.202 122.148 119.914 0.053 0.000 3.178 58 V HA 0.723 4.844 4.120 0.002 0.000 0.302 58 V C -1.267 174.851 176.094 0.041 0.000 1.262 58 V CA -0.736 61.623 62.300 0.098 0.000 1.030 58 V CB 2.032 33.904 31.823 0.081 0.000 1.074 58 V HN 0.770 nan 8.190 nan 0.000 0.438 59 I N 2.082 122.603 120.570 -0.082 0.000 2.466 59 I HA 0.534 4.705 4.170 0.002 0.000 0.289 59 I C -1.014 174.564 176.117 -0.899 0.000 1.026 59 I CA -0.465 60.567 61.300 -0.447 0.000 1.078 59 I CB 1.959 39.598 38.000 -0.602 0.000 1.249 59 I HN 0.975 nan 8.210 nan 0.000 0.429 60 H N 5.333 123.908 119.070 -0.825 0.000 2.463 60 H HA 0.417 4.974 4.556 0.002 0.000 0.332 60 H C -1.680 173.008 175.328 -1.066 0.000 1.127 60 H CA -0.552 54.990 56.048 -0.844 0.000 1.238 60 H CB 1.011 30.542 29.762 -0.385 0.000 1.478 60 H HN 0.380 nan 8.280 nan 0.000 0.499 61 W N 4.958 125.627 121.300 -1.050 0.000 2.295 61 W HA 0.206 4.867 4.660 0.002 0.000 0.333 61 W C -0.249 175.672 176.519 -0.997 0.000 0.990 61 W CA -0.884 55.982 57.345 -0.798 0.000 1.453 61 W CB 0.015 28.960 29.460 -0.857 0.000 1.263 61 W HN 0.664 nan 8.180 nan 0.000 0.380 62 H N 2.084 120.696 119.070 -0.764 0.000 2.955 62 H HA 0.391 4.948 4.556 0.002 0.000 0.290 62 H C 1.317 176.371 175.328 -0.457 0.000 1.047 62 H CA 1.224 56.917 56.048 -0.592 0.000 1.484 62 H CB 0.361 29.641 29.762 -0.803 0.000 1.501 62 H HN 0.816 nan 8.280 nan 0.000 0.521 63 G N 4.768 113.477 108.800 -0.151 0.000 2.201 63 G HA2 -0.216 3.745 3.960 0.002 0.000 0.212 63 G HA3 -0.216 3.745 3.960 0.002 0.000 0.212 63 G C -0.229 174.357 174.900 -0.523 0.000 0.994 63 G CA -0.052 44.950 45.100 -0.163 0.000 0.644 63 G HN 0.508 nan 8.290 nan 0.000 0.508 64 I N 1.917 122.152 120.570 -0.558 0.000 2.395 64 I HA 0.369 4.540 4.170 0.002 0.000 0.289 64 I C 1.905 177.749 176.117 -0.455 0.000 1.023 64 I CA -0.781 60.167 61.300 -0.586 0.000 1.350 64 I CB 1.085 38.699 38.000 -0.645 0.000 1.409 64 I HN 0.035 nan 8.210 nan 0.000 0.507 65 L N 4.830 125.806 121.223 -0.412 0.000 2.291 65 L HA -0.080 4.261 4.340 0.002 0.000 0.214 65 L C 0.805 177.443 176.870 -0.386 0.000 1.120 65 L CA 0.298 54.885 54.840 -0.423 0.000 0.799 65 L CB -0.336 41.503 42.059 -0.365 0.000 0.925 65 L HN 0.588 nan 8.230 nan 0.000 0.446 66 Q N 0.044 119.689 119.800 -0.258 0.000 2.461 66 Q HA -0.247 4.094 4.340 0.002 0.000 0.273 66 Q C 0.338 176.335 176.000 -0.004 0.000 1.163 66 Q CA 0.762 56.498 55.803 -0.112 0.000 0.929 66 Q CB -1.716 27.063 28.738 0.068 0.000 1.334 66 Q HN 0.499 nan 8.270 nan 0.000 0.499 67 R N 0.226 120.679 120.500 -0.079 0.000 2.457 67 R HA 0.202 4.543 4.340 0.002 0.000 0.335 67 R C 1.438 177.749 176.300 0.018 0.000 1.003 67 R CA 1.485 57.567 56.100 -0.030 0.000 1.003 67 R CB -0.322 29.931 30.300 -0.078 0.000 0.950 67 R HN 0.464 nan 8.270 nan 0.000 0.428 68 G N 2.509 111.352 108.800 0.072 0.000 2.217 68 G HA2 -0.300 3.661 3.960 0.002 0.000 0.246 68 G HA3 -0.300 3.661 3.960 0.002 0.000 0.246 68 G C 0.265 175.214 174.900 0.082 0.000 0.990 68 G CA 0.441 45.593 45.100 0.086 0.000 0.627 68 G HN 0.706 nan 8.290 nan 0.000 0.522 69 T N -1.712 112.816 114.554 -0.045 0.000 3.532 69 T HA 0.633 4.984 4.350 0.002 0.000 0.241 69 T C -1.060 173.345 174.700 -0.492 0.000 1.238 69 T CA -0.416 61.439 62.100 -0.407 0.000 1.405 69 T CB 1.985 70.550 68.868 -0.504 0.000 0.971 69 T HN 0.149 nan 8.240 nan 0.000 0.640 70 P HA -0.080 nan 4.420 nan 0.000 0.220 70 P C 1.681 178.906 177.300 -0.125 0.000 1.148 70 P CA 0.747 63.754 63.100 -0.156 0.000 0.803 70 P CB -0.233 31.327 31.700 -0.233 0.000 0.782 71 W N 0.007 121.362 121.300 0.092 0.000 2.721 71 W HA 0.264 4.925 4.660 0.002 0.000 0.245 71 W C 0.733 177.438 176.519 0.310 0.000 1.276 71 W CA 0.549 57.992 57.345 0.163 0.000 1.342 71 W CB -1.313 28.249 29.460 0.170 0.000 1.135 71 W HN -0.050 nan 8.180 nan 0.000 0.654 72 A N 0.688 123.427 122.820 -0.134 0.000 2.500 72 A HA 0.095 4.416 4.320 0.002 0.000 0.267 72 A C 1.272 179.058 177.584 0.337 0.000 1.290 72 A CA 0.443 52.610 52.037 0.216 0.000 0.928 72 A CB -0.556 18.275 19.000 -0.283 0.000 1.066 72 A HN 0.105 nan 8.150 nan 0.000 0.516 73 D N 0.160 120.702 120.400 0.237 0.000 2.224 73 D HA 0.096 4.737 4.640 0.002 0.000 0.205 73 D C 1.425 177.875 176.300 0.251 0.000 0.965 73 D CA 1.768 55.919 54.000 0.251 0.000 0.852 73 D CB -0.048 40.935 40.800 0.305 0.000 0.947 73 D HN 0.632 nan 8.370 nan 0.000 0.494 74 G N 0.180 109.149 108.800 0.282 0.000 2.171 74 G HA2 -0.205 3.756 3.960 0.002 0.000 0.238 74 G HA3 -0.205 3.756 3.960 0.002 0.000 0.238 74 G C 0.150 175.105 174.900 0.091 0.000 1.039 74 G CA 0.514 45.721 45.100 0.178 0.000 0.759 74 G HN 0.596 nan 8.290 nan 0.000 0.501 75 T N -1.904 112.676 114.554 0.044 0.000 2.809 75 T HA 0.805 5.156 4.350 0.002 0.000 0.296 75 T C 0.404 175.086 174.700 -0.030 0.000 1.015 75 T CA 0.384 62.424 62.100 -0.101 0.000 0.954 75 T CB 1.876 70.587 68.868 -0.261 0.000 0.950 75 T HN 1.769 nan 8.240 nan 0.000 0.450 76 A N 2.923 125.744 122.820 0.002 0.000 2.540 76 A HA 0.511 4.832 4.320 0.002 0.000 0.239 76 A C 1.375 178.943 177.584 -0.028 0.000 1.061 76 A CA 0.217 52.249 52.037 -0.009 0.000 0.758 76 A CB -0.786 18.216 19.000 0.005 0.000 0.991 76 A HN 1.724 nan 8.150 nan 0.000 0.502 77 S N 0.209 115.880 115.700 -0.048 0.000 2.981 77 S HA -0.213 4.258 4.470 0.002 0.000 0.274 77 S C 0.946 175.502 174.600 -0.073 0.000 1.297 77 S CA 1.689 59.833 58.200 -0.094 0.000 1.266 77 S CB -1.964 61.168 63.200 -0.114 0.000 1.542 77 S HN 0.726 nan 8.310 nan 0.000 0.674 78 I N 0.507 121.077 120.570 0.001 0.000 3.523 78 I HA 0.029 4.200 4.170 0.002 0.000 0.244 78 I C 2.190 178.320 176.117 0.022 0.000 1.110 78 I CA 0.932 62.282 61.300 0.083 0.000 1.517 78 I CB -0.324 37.696 38.000 0.033 0.000 1.505 78 I HN 0.358 nan 8.210 nan 0.000 0.460 79 S N 0.359 116.059 115.700 0.001 0.000 2.425 79 S HA 0.031 4.502 4.470 0.002 0.000 0.225 79 S C 0.674 175.325 174.600 0.085 0.000 1.024 79 S CA -0.109 58.106 58.200 0.025 0.000 0.951 79 S CB -0.276 62.960 63.200 0.060 0.000 0.796 79 S HN 0.585 nan 8.310 nan 0.000 0.498 80 Q N -1.096 118.734 119.800 0.050 0.000 2.565 80 Q HA 0.613 4.954 4.340 0.002 0.000 0.294 80 Q C -1.472 174.510 176.000 -0.031 0.000 1.005 80 Q CA -1.167 54.651 55.803 0.024 0.000 0.771 80 Q CB 0.977 29.693 28.738 -0.036 0.000 1.486 80 Q HN 0.153 nan 8.270 nan 0.000 0.422 81 c N 1.516 120.089 118.600 -0.046 0.000 2.601 81 c HA 0.714 5.285 4.570 0.002 0.000 0.409 81 c C 0.993 175.019 174.090 -0.107 0.000 1.293 81 c CA -0.011 56.283 56.329 -0.059 0.000 2.101 81 c CB 0.093 42.578 42.510 -0.041 0.000 2.639 81 c HN 0.815 nan 8.230 nan 0.000 0.592 82 A N 3.166 125.939 122.820 -0.079 0.000 2.448 82 A HA 0.472 4.793 4.320 0.002 0.000 0.239 82 A C -0.081 177.443 177.584 -0.100 0.000 1.080 82 A CA -0.107 51.879 52.037 -0.084 0.000 0.779 82 A CB 0.044 19.022 19.000 -0.036 0.000 1.026 82 A HN 0.791 nan 8.150 nan 0.000 0.499 83 I N 2.054 122.562 120.570 -0.102 0.000 2.371 83 I HA 0.098 4.269 4.170 0.002 0.000 0.290 83 I C -0.042 176.069 176.117 -0.010 0.000 1.028 83 I CA -0.479 60.783 61.300 -0.063 0.000 1.345 83 I CB 0.519 38.497 38.000 -0.038 0.000 1.407 83 I HN 0.531 nan 8.210 nan 0.000 0.501 84 N N 7.744 126.448 118.700 0.006 0.000 2.444 84 N HA 0.228 4.969 4.740 0.002 0.000 0.255 84 N C -2.437 173.087 175.510 0.023 0.000 1.255 84 N CA -1.670 51.390 53.050 0.016 0.000 0.933 84 N CB 0.021 38.520 38.487 0.020 0.000 1.143 84 N HN 0.247 nan 8.380 nan 0.000 0.453 85 P HA 0.028 nan 4.420 nan 0.000 0.262 85 P C 0.705 178.021 177.300 0.027 0.000 1.182 85 P CA 0.933 64.047 63.100 0.022 0.000 0.761 85 P CB 0.259 31.979 31.700 0.034 0.000 0.795 86 G N 1.517 110.329 108.800 0.021 0.000 2.179 86 G HA2 -0.235 3.726 3.960 0.002 0.000 0.260 86 G HA3 -0.235 3.726 3.960 0.002 0.000 0.260 86 G C 0.037 174.957 174.900 0.034 0.000 0.977 86 G CA -0.170 44.946 45.100 0.028 0.000 0.641 86 G HN 0.551 nan 8.290 nan 0.000 0.533 87 E N -0.181 120.042 120.200 0.040 0.000 2.232 87 E HA 0.644 4.995 4.350 0.002 0.000 0.264 87 E C -0.616 176.019 176.600 0.059 0.000 0.973 87 E CA -0.463 55.968 56.400 0.051 0.000 0.849 87 E CB 1.416 31.152 29.700 0.060 0.000 1.198 87 E HN 0.102 nan 8.360 nan 0.000 0.407 88 T N 1.485 116.075 114.554 0.061 0.000 2.841 88 T HA 0.410 4.761 4.350 0.002 0.000 0.285 88 T C -1.325 173.405 174.700 0.051 0.000 0.991 88 T CA -0.529 61.584 62.100 0.021 0.000 0.966 88 T CB 0.378 69.219 68.868 -0.044 0.000 0.962 88 T HN 0.264 nan 8.240 nan 0.000 0.438 89 F N 2.730 122.598 119.950 -0.136 0.000 2.508 89 F HA 0.734 5.262 4.527 0.002 0.000 0.325 89 F C -1.539 174.117 175.800 -0.240 0.000 1.090 89 F CA -1.677 56.239 58.000 -0.140 0.000 0.945 89 F CB 1.088 39.985 39.000 -0.172 0.000 1.156 89 F HN 0.465 nan 8.300 nan 0.000 0.463 90 F N 5.019 124.598 119.950 -0.619 0.000 2.404 90 F HA 0.373 4.901 4.527 0.002 0.000 0.354 90 F C -1.067 174.556 175.800 -0.296 0.000 1.122 90 F CA -0.425 57.360 58.000 -0.357 0.000 1.080 90 F CB 0.772 39.587 39.000 -0.308 0.000 1.131 90 F HN 0.280 nan 8.300 nan 0.000 0.471 91 Y N 3.219 123.653 120.300 0.224 0.000 2.369 91 Y HA 0.379 4.930 4.550 0.002 0.000 0.337 91 Y C -0.325 175.630 175.900 0.091 0.000 0.961 91 Y CA -0.888 57.407 58.100 0.325 0.000 1.186 91 Y CB 0.721 39.452 38.460 0.450 0.000 1.139 91 Y HN 0.408 nan 8.280 nan 0.000 0.494 92 N N 5.515 124.379 118.700 0.272 0.000 2.442 92 N HA 0.483 5.224 4.740 0.002 0.000 0.274 92 N C -1.192 174.302 175.510 -0.026 0.000 1.002 92 N CA -0.543 52.510 53.050 0.006 0.000 0.910 92 N CB 1.625 40.177 38.487 0.108 0.000 1.244 92 N HN 0.512 nan 8.380 nan 0.000 0.492 93 F N -1.815 118.004 119.950 -0.219 0.000 2.685 93 F HA 0.697 5.225 4.527 0.002 0.000 0.315 93 F C -0.432 175.242 175.800 -0.210 0.000 1.126 93 F CA -0.951 56.895 58.000 -0.256 0.000 0.950 93 F CB 1.013 39.797 39.000 -0.359 0.000 1.360 93 F HN -0.018 nan 8.300 nan 0.000 0.469 94 T N 1.595 116.192 114.554 0.072 0.000 2.925 94 T HA 0.615 4.966 4.350 0.002 0.000 0.285 94 T C -0.683 174.056 174.700 0.065 0.000 1.021 94 T CA -0.664 61.431 62.100 -0.008 0.000 1.042 94 T CB 1.682 70.538 68.868 -0.020 0.000 1.037 94 T HN 0.810 nan 8.240 nan 0.000 0.481 95 V N 0.475 120.395 119.914 0.010 0.000 2.370 95 V HA 0.479 4.600 4.120 0.002 0.000 0.283 95 V C 0.068 176.155 176.094 -0.012 0.000 1.023 95 V CA -0.551 61.752 62.300 0.005 0.000 0.857 95 V CB 1.311 33.152 31.823 0.031 0.000 0.985 95 V HN 0.792 nan 8.190 nan 0.000 0.443 96 D N 3.128 123.505 120.400 -0.039 0.000 2.277 96 D HA 0.043 4.684 4.640 0.002 0.000 0.209 96 D C 0.327 176.631 176.300 0.007 0.000 0.970 96 D CA 1.030 55.015 54.000 -0.025 0.000 0.874 96 D CB 0.460 41.228 40.800 -0.054 0.000 0.982 96 D HN 0.845 nan 8.370 nan 0.000 0.504 97 N N 0.864 119.582 118.700 0.030 0.000 2.277 97 N HA 0.260 5.001 4.740 0.002 0.000 0.286 97 N C -3.143 172.465 175.510 0.165 0.000 1.140 97 N CA -1.377 51.718 53.050 0.074 0.000 0.799 97 N CB 2.472 40.986 38.487 0.045 0.000 1.596 97 N HN -0.230 nan 8.380 nan 0.000 0.473 98 P HA 0.391 nan 4.420 nan 0.000 0.272 98 P C 0.144 177.437 177.300 -0.011 0.000 1.230 98 P CA 0.506 63.671 63.100 0.107 0.000 0.788 98 P CB 0.905 32.656 31.700 0.085 0.000 0.949 99 G N 0.021 108.719 108.800 -0.170 0.000 2.352 99 G HA2 0.205 4.166 3.960 0.002 0.000 0.302 99 G HA3 0.205 4.166 3.960 0.002 0.000 0.302 99 G C -1.423 172.991 174.900 -0.811 0.000 1.370 99 G CA -0.724 44.036 45.100 -0.566 0.000 0.918 99 G HN 0.466 nan 8.290 nan 0.000 0.610 100 T N 1.333 115.434 114.554 -0.757 0.000 2.729 100 T HA 0.656 5.007 4.350 0.002 0.000 0.296 100 T C -0.605 173.716 174.700 -0.631 0.000 0.928 100 T CA 0.328 62.132 62.100 -0.492 0.000 1.045 100 T CB 0.187 68.886 68.868 -0.281 0.000 0.902 100 T HN 0.387 nan 8.240 nan 0.000 0.500 101 F N 1.953 121.947 119.950 0.072 0.000 2.782 101 F HA 0.853 5.381 4.527 0.002 0.000 0.366 101 F C -0.296 175.647 175.800 0.239 0.000 1.171 101 F CA -1.638 56.411 58.000 0.083 0.000 1.064 101 F CB 1.213 40.212 39.000 -0.001 0.000 1.449 101 F HN 0.598 nan 8.300 nan 0.000 0.520 102 F N -1.163 118.908 119.950 0.202 0.000 2.877 102 F HA 0.708 5.235 4.527 0.002 0.000 0.319 102 F C -1.865 174.048 175.800 0.188 0.000 1.174 102 F CA -2.052 56.010 58.000 0.102 0.000 0.903 102 F CB 1.088 40.050 39.000 -0.063 0.000 1.357 102 F HN 0.454 nan 8.300 nan 0.000 0.472 103 Y N -0.479 119.972 120.300 0.252 0.000 2.576 103 Y HA 0.908 5.459 4.550 0.002 0.000 0.346 103 Y C -1.048 174.929 175.900 0.128 0.000 1.018 103 Y CA -1.248 56.839 58.100 -0.021 0.000 1.050 103 Y CB 1.600 40.043 38.460 -0.027 0.000 1.280 103 Y HN 1.024 nan 8.280 nan 0.000 0.474 104 H N -1.030 118.153 119.070 0.187 0.000 3.003 104 H HA 0.648 5.205 4.556 0.002 0.000 0.327 104 H C -0.538 174.859 175.328 0.117 0.000 1.353 104 H CA -1.221 54.949 56.048 0.204 0.000 1.142 104 H CB 0.920 30.851 29.762 0.282 0.000 1.864 104 H HN 1.099 nan 8.280 nan 0.000 0.529 105 G N 0.056 109.031 108.800 0.291 0.000 2.441 105 G HA2 0.264 4.225 3.960 0.002 0.000 0.243 105 G HA3 0.264 4.225 3.960 0.002 0.000 0.243 105 G C -0.471 174.574 174.900 0.242 0.000 1.281 105 G CA -0.220 44.984 45.100 0.173 0.000 0.854 105 G HN 0.812 nan 8.290 nan 0.000 0.560 106 H N 1.945 121.071 119.070 0.093 0.000 2.674 106 H HA 0.288 4.845 4.556 0.002 0.000 0.235 106 H C -1.100 174.230 175.328 0.003 0.000 1.330 106 H CA -0.390 55.694 56.048 0.060 0.000 1.052 106 H CB 0.767 30.561 29.762 0.054 0.000 1.954 106 H HN 0.321 nan 8.280 nan 0.000 0.566 107 L N 0.109 121.386 121.223 0.090 0.000 2.476 107 L HA 0.547 4.888 4.340 0.002 0.000 0.269 107 L C 0.538 177.416 176.870 0.013 0.000 0.965 107 L CA 0.681 55.551 54.840 0.049 0.000 0.845 107 L CB 1.342 43.422 42.059 0.035 0.000 1.259 107 L HN 0.470 nan 8.230 nan 0.000 0.403 108 G N 4.649 113.457 108.800 0.013 0.000 2.574 108 G HA2 -0.311 3.650 3.960 0.002 0.000 0.282 108 G HA3 -0.311 3.650 3.960 0.002 0.000 0.282 108 G C 0.355 175.220 174.900 -0.057 0.000 1.257 108 G CA 0.394 45.499 45.100 0.010 0.000 0.956 108 G HN 0.723 nan 8.290 nan 0.000 0.560 109 M N 0.880 120.406 119.600 -0.122 0.000 2.859 109 M HA 0.194 4.675 4.480 0.002 0.000 0.297 109 M C 1.948 178.160 176.300 -0.148 0.000 1.268 109 M CA 0.054 55.240 55.300 -0.189 0.000 1.003 109 M CB 0.534 32.946 32.600 -0.315 0.000 1.308 109 M HN 0.611 nan 8.290 nan 0.000 0.502 110 Q N 0.945 120.693 119.800 -0.087 0.000 2.181 110 Q HA -0.192 4.149 4.340 0.002 0.000 0.205 110 Q C 2.134 178.133 176.000 -0.001 0.000 0.980 110 Q CA 1.524 57.296 55.803 -0.051 0.000 0.862 110 Q CB -0.070 28.650 28.738 -0.029 0.000 0.905 110 Q HN 0.638 nan 8.270 nan 0.000 0.429 111 R N -0.216 120.297 120.500 0.022 0.000 2.092 111 R HA -0.031 4.310 4.340 0.002 0.000 0.231 111 R C 1.971 178.388 176.300 0.196 0.000 1.119 111 R CA 1.658 57.838 56.100 0.135 0.000 0.970 111 R CB -0.385 29.963 30.300 0.080 0.000 0.864 111 R HN -0.046 nan 8.270 nan 0.000 0.440 112 S N 1.251 116.986 115.700 0.059 0.000 2.442 112 S HA -0.023 4.449 4.470 0.002 0.000 0.236 112 S C 1.856 176.564 174.600 0.180 0.000 1.007 112 S CA 1.001 59.261 58.200 0.101 0.000 0.965 112 S CB 0.016 63.131 63.200 -0.142 0.000 0.773 112 S HN 0.578 nan 8.310 nan 0.000 0.504 113 A N 0.424 123.306 122.820 0.103 0.000 2.259 113 A HA 0.536 4.857 4.320 0.002 0.000 0.208 113 A C 1.607 179.306 177.584 0.191 0.000 1.201 113 A CA 0.645 52.764 52.037 0.138 0.000 0.824 113 A CB -0.655 18.390 19.000 0.074 0.000 0.838 113 A HN 0.784 nan 8.150 nan 0.000 0.485 114 G N -1.765 107.147 108.800 0.187 0.000 2.211 114 G HA2 -0.135 3.826 3.960 0.002 0.000 0.201 114 G HA3 -0.135 3.826 3.960 0.002 0.000 0.201 114 G C 0.089 174.742 174.900 -0.412 0.000 0.997 114 G CA 0.002 45.049 45.100 -0.088 0.000 0.652 114 G HN 0.813 nan 8.290 nan 0.000 0.500 115 L N 2.836 123.967 121.223 -0.154 0.000 2.448 115 L HA 0.651 4.992 4.340 0.002 0.000 0.278 115 L C -0.102 176.767 176.870 -0.003 0.000 1.201 115 L CA -1.172 53.601 54.840 -0.110 0.000 1.036 115 L CB -1.440 40.608 42.059 -0.017 0.000 1.325 115 L HN 0.434 nan 8.230 nan 0.000 0.441 116 Y N 1.293 121.573 120.300 -0.034 0.000 2.689 116 Y HA 0.935 5.486 4.550 0.002 0.000 0.333 116 Y C -0.076 175.484 175.900 -0.568 0.000 1.208 116 Y CA -1.058 56.919 58.100 -0.204 0.000 1.055 116 Y CB 0.790 39.218 38.460 -0.053 0.000 1.304 116 Y HN 0.385 nan 8.280 nan 0.000 0.455 117 G N -0.146 108.191 108.800 -0.771 0.000 2.441 117 G HA2 0.523 4.484 3.960 0.002 0.000 0.294 117 G HA3 0.523 4.484 3.960 0.002 0.000 0.294 117 G C -1.894 172.679 174.900 -0.545 0.000 1.393 117 G CA -0.997 43.613 45.100 -0.815 0.000 0.796 117 G HN 0.713 nan 8.290 nan 0.000 0.494 118 S N -0.918 114.704 115.700 -0.130 0.000 2.617 118 S HA 0.752 5.223 4.470 0.002 0.000 0.283 118 S C -0.550 174.234 174.600 0.307 0.000 1.189 118 S CA -0.544 57.711 58.200 0.093 0.000 1.036 118 S CB 1.589 64.810 63.200 0.035 0.000 1.014 118 S HN 0.716 nan 8.310 nan 0.000 0.522 119 L N 3.126 124.551 121.223 0.337 0.000 2.446 119 L HA 0.605 4.946 4.340 0.002 0.000 0.268 119 L C -1.813 175.239 176.870 0.304 0.000 0.975 119 L CA -0.416 54.642 54.840 0.363 0.000 0.848 119 L CB 0.559 42.888 42.059 0.450 0.000 1.225 119 L HN 0.642 nan 8.230 nan 0.000 0.410 120 I N 4.915 125.621 120.570 0.226 0.000 2.509 120 I HA 0.534 4.705 4.170 0.002 0.000 0.293 120 I C -0.767 175.463 176.117 0.187 0.000 1.020 120 I CA -0.927 60.472 61.300 0.166 0.000 1.088 120 I CB 2.262 40.319 38.000 0.096 0.000 1.267 120 I HN 0.193 nan 8.210 nan 0.000 0.430 121 V N 4.443 124.471 119.914 0.190 0.000 2.540 121 V HA 0.407 4.528 4.120 0.002 0.000 0.302 121 V C -0.550 175.617 176.094 0.122 0.000 1.035 121 V CA -0.754 61.658 62.300 0.186 0.000 0.873 121 V CB 1.972 33.970 31.823 0.291 0.000 0.992 121 V HN 0.618 nan 8.190 nan 0.000 0.428 122 D N 4.471 124.933 120.400 0.103 0.000 2.387 122 D HA 0.435 5.076 4.640 0.002 0.000 0.255 122 D C -2.463 173.882 176.300 0.075 0.000 1.081 122 D CA -1.252 52.800 54.000 0.086 0.000 0.994 122 D CB 1.678 42.522 40.800 0.075 0.000 1.127 122 D HN 0.267 nan 8.370 nan 0.000 0.513 123 P HA 0.024 nan 4.420 nan 0.000 0.269 123 P C -2.523 174.799 177.300 0.037 0.000 1.205 123 P CA -0.657 62.473 63.100 0.050 0.000 0.780 123 P CB -0.775 30.941 31.700 0.026 0.000 0.858 124 P HA -0.051 nan 4.420 nan 0.000 0.266 124 P C 0.141 177.448 177.300 0.011 0.000 1.186 124 P CA 0.464 63.576 63.100 0.020 0.000 0.767 124 P CB 0.101 31.811 31.700 0.018 0.000 0.820 125 Q N 2.058 121.863 119.800 0.008 0.000 2.247 125 Q HA 0.110 4.451 4.340 0.002 0.000 0.288 125 Q C 1.124 177.122 176.000 -0.002 0.000 1.079 125 Q CA 1.324 57.129 55.803 0.003 0.000 0.932 125 Q CB -0.665 28.074 28.738 0.002 0.000 1.133 125 Q HN 0.826 nan 8.270 nan 0.000 0.377 126 G N 3.646 112.442 108.800 -0.007 0.000 2.308 126 G HA2 -0.297 3.664 3.960 0.002 0.000 0.221 126 G HA3 -0.297 3.664 3.960 0.002 0.000 0.221 126 G C 0.116 175.006 174.900 -0.017 0.000 1.032 126 G CA 0.237 45.330 45.100 -0.012 0.000 0.623 126 G HN 0.661 nan 8.290 nan 0.000 0.506 127 K N 1.168 121.559 120.400 -0.014 0.000 2.102 127 K HA 0.660 4.981 4.320 0.002 0.000 0.244 127 K C 0.113 176.692 176.600 -0.034 0.000 1.021 127 K CA -0.366 55.909 56.287 -0.020 0.000 0.913 127 K CB 0.555 33.050 32.500 -0.007 0.000 1.062 127 K HN 0.173 nan 8.250 nan 0.000 0.485 128 K N 1.242 121.609 120.400 -0.055 0.000 2.433 128 K HA 0.173 4.494 4.320 0.002 0.000 0.252 128 K C -1.141 175.381 176.600 -0.130 0.000 1.015 128 K CA -0.975 55.258 56.287 -0.089 0.000 0.860 128 K CB 1.737 34.179 32.500 -0.097 0.000 1.359 128 K HN 0.579 nan 8.250 nan 0.000 0.452 129 E N 2.138 122.216 120.200 -0.203 0.000 2.383 129 E HA 0.062 4.413 4.350 0.002 0.000 0.264 129 E C -1.570 174.755 176.600 -0.459 0.000 1.050 129 E CA -1.396 54.777 56.400 -0.377 0.000 0.896 129 E CB 0.652 30.053 29.700 -0.498 0.000 0.982 129 E HN 0.195 nan 8.360 nan 0.000 0.424 130 P HA -0.078 nan 4.420 nan 0.000 0.225 130 P C -0.495 176.709 177.300 -0.160 0.000 1.148 130 P CA 0.935 63.825 63.100 -0.351 0.000 0.779 130 P CB -0.140 31.335 31.700 -0.375 0.000 0.780 131 F N -1.829 118.140 119.950 0.031 0.000 2.563 131 F HA 0.668 5.196 4.527 0.002 0.000 0.316 131 F C 0.013 175.917 175.800 0.172 0.000 1.076 131 F CA -2.171 55.890 58.000 0.101 0.000 0.921 131 F CB 0.386 39.449 39.000 0.105 0.000 1.209 131 F HN -0.281 nan 8.300 nan 0.000 0.462 132 H N 1.742 120.970 119.070 0.262 0.000 2.473 132 H HA 0.609 5.166 4.556 0.002 0.000 0.327 132 H C -1.437 174.055 175.328 0.273 0.000 1.105 132 H CA -0.871 55.246 56.048 0.115 0.000 1.280 132 H CB 0.863 30.641 29.762 0.027 0.000 1.450 132 H HN 0.648 nan 8.280 nan 0.000 0.492 133 Y N 0.994 120.864 120.300 -0.717 0.000 2.625 133 Y HA 0.339 4.890 4.550 0.002 0.000 0.338 133 Y C -0.267 175.240 175.900 -0.654 0.000 1.123 133 Y CA -1.142 56.606 58.100 -0.587 0.000 1.046 133 Y CB 0.814 39.159 38.460 -0.191 0.000 1.299 133 Y HN 0.459 nan 8.280 nan 0.000 0.464 134 D N 0.674 120.859 120.400 -0.359 0.000 2.323 134 D HA 0.252 4.893 4.640 0.002 0.000 0.218 134 D C 0.595 176.793 176.300 -0.170 0.000 0.973 134 D CA 1.227 55.053 54.000 -0.290 0.000 0.890 134 D CB 0.759 41.353 40.800 -0.343 0.000 1.011 134 D HN 0.813 nan 8.370 nan 0.000 0.499 135 G N -0.204 108.488 108.800 -0.180 0.000 2.798 135 G HA2 0.505 4.466 3.960 0.002 0.000 0.286 135 G HA3 0.505 4.466 3.960 0.002 0.000 0.286 135 G C -1.532 173.531 174.900 0.272 0.000 1.389 135 G CA -0.414 44.754 45.100 0.113 0.000 0.894 135 G HN -0.059 nan 8.290 nan 0.000 0.488 136 E N -0.805 119.543 120.200 0.247 0.000 2.314 136 E HA 0.609 4.960 4.350 0.002 0.000 0.272 136 E C -1.495 175.129 176.600 0.040 0.000 0.884 136 E CA -0.703 55.771 56.400 0.124 0.000 0.753 136 E CB 2.408 32.190 29.700 0.136 0.000 1.213 136 E HN 0.327 nan 8.360 nan 0.000 0.432 137 I N 3.333 123.845 120.570 -0.097 0.000 2.466 137 I HA 0.299 4.470 4.170 0.002 0.000 0.289 137 I C -0.405 175.560 176.117 -0.254 0.000 1.026 137 I CA -0.660 60.493 61.300 -0.246 0.000 1.078 137 I CB 1.889 39.541 38.000 -0.580 0.000 1.249 137 I HN 0.417 nan 8.210 nan 0.000 0.429 138 N N 6.402 124.983 118.700 -0.198 0.000 2.399 138 N HA 0.614 5.356 4.740 0.002 0.000 0.295 138 N C -1.779 173.576 175.510 -0.258 0.000 1.048 138 N CA -0.519 52.414 53.050 -0.195 0.000 0.886 138 N CB 2.010 40.425 38.487 -0.119 0.000 1.185 138 N HN 0.394 nan 8.380 nan 0.000 0.487 139 L N 3.965 125.046 121.223 -0.237 0.000 2.438 139 L HA 0.510 4.851 4.340 0.002 0.000 0.270 139 L C -1.886 174.847 176.870 -0.228 0.000 0.972 139 L CA -0.655 54.058 54.840 -0.213 0.000 0.831 139 L CB 1.653 43.646 42.059 -0.110 0.000 1.273 139 L HN 0.455 nan 8.230 nan 0.000 0.405 140 L N 5.646 126.725 121.223 -0.240 0.000 2.305 140 L HA 0.640 4.981 4.340 0.002 0.000 0.284 140 L C -1.317 175.400 176.870 -0.254 0.000 1.013 140 L CA -0.160 54.508 54.840 -0.287 0.000 0.819 140 L CB 1.420 43.311 42.059 -0.279 0.000 1.227 140 L HN 0.581 nan 8.230 nan 0.000 0.417 141 L N 4.789 125.838 121.223 -0.289 0.000 2.309 141 L HA 0.819 5.160 4.340 0.002 0.000 0.282 141 L C 0.112 176.811 176.870 -0.284 0.000 1.036 141 L CA -0.266 54.444 54.840 -0.217 0.000 0.806 141 L CB 1.605 43.560 42.059 -0.174 0.000 1.220 141 L HN 0.832 nan 8.230 nan 0.000 0.429 142 S N 0.055 115.639 115.700 -0.192 0.000 2.752 142 S HA 0.768 5.239 4.470 0.002 0.000 0.284 142 S C -1.875 172.711 174.600 -0.023 0.000 1.189 142 S CA -1.022 57.063 58.200 -0.192 0.000 0.835 142 S CB 2.272 65.267 63.200 -0.342 0.000 1.192 142 S HN 0.605 nan 8.310 nan 0.000 0.506 143 D N -0.808 119.634 120.400 0.070 0.000 2.552 143 D HA 0.523 5.164 4.640 0.002 0.000 0.239 143 D C -1.577 174.841 176.300 0.198 0.000 1.139 143 D CA -0.461 53.551 54.000 0.021 0.000 0.914 143 D CB 1.038 41.739 40.800 -0.166 0.000 1.461 143 D HN 0.734 nan 8.370 nan 0.000 0.462 144 W N 1.361 122.521 121.300 -0.234 0.000 2.998 144 W HA 0.454 5.116 4.660 0.002 0.000 0.335 144 W C -1.834 174.540 176.519 -0.241 0.000 1.110 144 W CA -0.829 56.495 57.345 -0.035 0.000 1.230 144 W CB 1.440 30.926 29.460 0.044 0.000 1.405 144 W HN 0.344 nan 8.180 nan 0.000 0.493 145 W N 4.258 125.075 121.300 -0.805 0.000 2.639 145 W HA 0.246 4.907 4.660 0.002 0.000 0.347 145 W C 0.860 176.855 176.519 -0.874 0.000 1.067 145 W CA -0.453 56.480 57.345 -0.688 0.000 1.218 145 W CB 1.306 30.460 29.460 -0.509 0.000 1.393 145 W HN 0.575 nan 8.180 nan 0.000 0.557 146 H N 0.211 119.051 119.070 -0.382 0.000 2.551 146 H HA -0.035 4.522 4.556 0.002 0.000 0.266 146 H C 0.762 175.964 175.328 -0.209 0.000 0.964 146 H CA 0.188 56.055 56.048 -0.302 0.000 1.180 146 H CB 1.012 30.630 29.762 -0.241 0.000 1.408 146 H HN 0.262 nan 8.280 nan 0.000 0.563 147 Q N 1.690 121.453 119.800 -0.062 0.000 2.259 147 Q HA 0.130 4.471 4.340 0.002 0.000 0.246 147 Q C -0.006 175.901 176.000 -0.155 0.000 0.920 147 Q CA -0.463 55.291 55.803 -0.082 0.000 0.895 147 Q CB 1.225 29.916 28.738 -0.079 0.000 1.220 147 Q HN 0.112 nan 8.270 nan 0.000 0.439 148 S N 2.748 118.383 115.700 -0.108 0.000 2.558 148 S HA -0.041 4.430 4.470 0.002 0.000 0.291 148 S C 1.032 175.525 174.600 -0.179 0.000 1.306 148 S CA -0.357 57.782 58.200 -0.101 0.000 1.056 148 S CB 0.244 63.438 63.200 -0.009 0.000 0.836 148 S HN 0.654 nan 8.310 nan 0.000 0.504 149 I N 4.169 124.587 120.570 -0.254 0.000 2.676 149 I HA 0.013 4.184 4.170 0.002 0.000 0.259 149 I C 1.721 177.644 176.117 -0.325 0.000 1.194 149 I CA 1.302 62.391 61.300 -0.352 0.000 1.473 149 I CB -0.642 37.130 38.000 -0.380 0.000 1.096 149 I HN 0.790 nan 8.210 nan 0.000 0.443 150 H N -0.403 118.592 119.070 -0.124 0.000 2.436 150 H HA 0.029 4.586 4.556 0.002 0.000 0.294 150 H C 2.065 177.335 175.328 -0.098 0.000 1.048 150 H CA 0.985 56.977 56.048 -0.093 0.000 1.353 150 H CB -0.101 29.620 29.762 -0.068 0.000 1.414 150 H HN 0.188 nan 8.280 nan 0.000 0.536 151 K N 0.529 120.929 120.400 -0.000 0.000 2.116 151 K HA -0.079 4.242 4.320 0.002 0.000 0.203 151 K C 2.022 178.562 176.600 -0.101 0.000 1.052 151 K CA 0.821 57.086 56.287 -0.038 0.000 0.952 151 K CB 0.103 32.579 32.500 -0.041 0.000 0.729 151 K HN 0.366 nan 8.250 nan 0.000 0.446 152 Q N 0.897 120.583 119.800 -0.191 0.000 2.061 152 Q HA -0.210 4.131 4.340 0.002 0.000 0.204 152 Q C 1.885 177.726 176.000 -0.265 0.000 0.984 152 Q CA 1.544 57.179 55.803 -0.280 0.000 0.846 152 Q CB -0.052 28.417 28.738 -0.449 0.000 0.902 152 Q HN 0.374 nan 8.270 nan 0.000 0.421 153 E N -0.073 119.961 120.200 -0.278 0.000 2.077 153 E HA -0.170 4.181 4.350 0.002 0.000 0.193 153 E C 2.127 178.701 176.600 -0.045 0.000 0.989 153 E CA 1.348 57.568 56.400 -0.300 0.000 0.800 153 E CB 0.011 29.593 29.700 -0.197 0.000 0.746 153 E HN 0.135 nan 8.360 nan 0.000 0.452 154 V N 0.755 120.662 119.914 -0.011 0.000 2.307 154 V HA -0.177 3.944 4.120 0.002 0.000 0.245 154 V C 2.374 178.502 176.094 0.057 0.000 1.045 154 V CA 1.999 64.326 62.300 0.044 0.000 1.024 154 V CB -0.921 30.921 31.823 0.031 0.000 0.651 154 V HN 0.413 nan 8.190 nan 0.000 0.449 155 G N -0.418 108.394 108.800 0.020 0.000 2.442 155 G HA2 -0.211 3.750 3.960 0.002 0.000 0.219 155 G HA3 -0.211 3.750 3.960 0.002 0.000 0.219 155 G C 1.532 176.487 174.900 0.093 0.000 1.141 155 G CA 0.716 45.841 45.100 0.042 0.000 0.763 155 G HN 0.481 nan 8.290 nan 0.000 0.554 156 L N 0.882 122.162 121.223 0.096 0.000 2.465 156 L HA 0.052 4.393 4.340 0.002 0.000 0.224 156 L C 1.720 178.734 176.870 0.241 0.000 1.145 156 L CA 0.517 55.475 54.840 0.197 0.000 0.834 156 L CB 0.187 42.378 42.059 0.219 0.000 0.944 156 L HN 0.128 nan 8.230 nan 0.000 0.451 157 S N -1.592 114.233 115.700 0.209 0.000 2.602 157 S HA 0.189 4.660 4.470 0.002 0.000 0.240 157 S C 0.485 175.234 174.600 0.248 0.000 0.992 157 S CA -0.303 58.002 58.200 0.176 0.000 0.971 157 S CB 0.537 63.810 63.200 0.121 0.000 0.855 157 S HN 0.115 nan 8.310 nan 0.000 0.481 158 S N 2.161 118.005 115.700 0.239 0.000 2.638 158 S HA 0.484 4.955 4.470 0.002 0.000 0.298 158 S C -0.284 174.404 174.600 0.146 0.000 1.111 158 S CA -0.860 57.465 58.200 0.207 0.000 1.027 158 S CB 1.072 64.342 63.200 0.117 0.000 1.064 158 S HN 0.305 nan 8.310 nan 0.000 0.525 159 K N 2.226 122.619 120.400 -0.010 0.000 2.323 159 K HA 0.463 4.784 4.320 0.002 0.000 0.259 159 K C -2.522 174.038 176.600 -0.067 0.000 0.947 159 K CA -1.733 54.462 56.287 -0.153 0.000 0.819 159 K CB 0.445 32.731 32.500 -0.357 0.000 1.109 159 K HN 0.414 nan 8.250 nan 0.000 0.429 160 P HA 0.022 nan 4.420 nan 0.000 0.267 160 P C -0.083 177.236 177.300 0.032 0.000 1.200 160 P CA -0.330 62.761 63.100 -0.015 0.000 0.772 160 P CB 0.758 32.455 31.700 -0.005 0.000 0.855 161 I N 2.176 122.780 120.570 0.056 0.000 2.813 161 I HA 0.002 4.173 4.170 0.002 0.000 0.287 161 I C 0.487 176.677 176.117 0.121 0.000 1.196 161 I CA -0.186 61.183 61.300 0.115 0.000 1.421 161 I CB 0.332 38.414 38.000 0.137 0.000 1.365 161 I HN 0.299 nan 8.210 nan 0.000 0.591 162 R N 7.805 128.390 120.500 0.141 0.000 2.310 162 R HA 0.173 4.514 4.340 0.002 0.000 0.316 162 R C -0.788 175.633 176.300 0.202 0.000 1.004 162 R CA -0.589 55.592 56.100 0.135 0.000 0.900 162 R CB 0.979 31.324 30.300 0.076 0.000 1.152 162 R HN 0.689 nan 8.270 nan 0.000 0.513 163 W N 5.547 126.868 121.300 0.033 0.000 2.158 163 W HA 0.007 4.668 4.660 0.003 0.000 0.339 163 W C 1.182 177.709 176.519 0.013 0.000 1.294 163 W CA -0.401 56.967 57.345 0.039 0.000 1.231 163 W CB 0.623 30.123 29.460 0.067 0.000 1.143 163 W HN 0.686 nan 8.180 nan 0.000 0.571 164 I N 2.889 123.006 120.570 -0.755 0.000 2.614 164 I HA 0.152 4.323 4.170 0.002 0.000 0.258 164 I C 0.931 176.791 176.117 -0.428 0.000 1.189 164 I CA 1.178 62.059 61.300 -0.700 0.000 1.462 164 I CB -0.888 36.498 38.000 -1.023 0.000 1.092 164 I HN 0.583 nan 8.210 nan 0.000 0.442 165 G N 1.684 110.134 108.800 -0.584 0.000 2.781 165 G HA2 -0.178 3.783 3.960 0.002 0.000 0.683 165 G HA3 -0.178 3.783 3.960 0.002 0.000 0.683 165 G C -0.636 174.329 174.900 0.108 0.000 1.390 165 G CA -0.574 44.511 45.100 -0.025 0.000 0.850 165 G HN 0.390 nan 8.290 nan 0.000 0.557 166 E N 1.470 121.741 120.200 0.118 0.000 2.398 166 E HA 0.298 4.649 4.350 0.002 0.000 0.263 166 E C -1.359 175.115 176.600 -0.210 0.000 1.046 166 E CA -0.974 55.443 56.400 0.028 0.000 0.908 166 E CB 0.431 30.121 29.700 -0.016 0.000 0.963 166 E HN 0.480 nan 8.360 nan 0.000 0.431 167 P HA 0.035 nan 4.420 nan 0.000 0.271 167 P C -0.011 176.888 177.300 -0.669 0.000 1.233 167 P CA -0.041 62.255 63.100 -1.340 0.000 0.789 167 P CB 0.832 31.604 31.700 -1.548 0.000 0.951 168 Q N -0.523 118.887 119.800 -0.649 0.000 2.212 168 Q HA 0.115 4.456 4.340 0.002 0.000 0.199 168 Q C 0.238 176.204 176.000 -0.058 0.000 0.950 168 Q CA 1.474 57.095 55.803 -0.304 0.000 0.863 168 Q CB -0.033 28.289 28.738 -0.695 0.000 0.944 168 Q HN 0.521 nan 8.270 nan 0.000 0.465 169 T N -0.155 114.336 114.554 -0.105 0.000 2.933 169 T HA 0.447 4.798 4.350 0.002 0.000 0.305 169 T C -0.919 173.773 174.700 -0.014 0.000 1.092 169 T CA -0.689 61.436 62.100 0.042 0.000 1.008 169 T CB 1.591 70.580 68.868 0.201 0.000 1.102 169 T HN -0.141 nan 8.240 nan 0.000 0.469 170 I N 2.773 123.339 120.570 -0.008 0.000 2.385 170 I HA 0.415 4.586 4.170 0.002 0.000 0.294 170 I C -0.533 175.604 176.117 0.033 0.000 0.988 170 I CA -0.951 60.340 61.300 -0.015 0.000 1.265 170 I CB 1.122 39.099 38.000 -0.039 0.000 1.388 170 I HN 0.430 nan 8.210 nan 0.000 0.480 171 L N 6.991 128.242 121.223 0.046 0.000 2.287 171 L HA 0.424 4.765 4.340 0.002 0.000 0.287 171 L C -0.519 176.363 176.870 0.020 0.000 1.022 171 L CA -0.403 54.477 54.840 0.066 0.000 0.814 171 L CB 1.325 43.468 42.059 0.140 0.000 1.217 171 L HN 0.300 nan 8.230 nan 0.000 0.420 172 L N 5.137 126.375 121.223 0.024 0.000 2.280 172 L HA 0.471 4.812 4.340 0.002 0.000 0.287 172 L C 0.282 177.135 176.870 -0.028 0.000 1.023 172 L CA -0.114 54.730 54.840 0.007 0.000 0.819 172 L CB 0.748 42.837 42.059 0.050 0.000 1.212 172 L HN 0.528 nan 8.230 nan 0.000 0.420 173 N N 3.658 122.284 118.700 -0.122 0.000 2.716 173 N HA -0.223 4.518 4.740 0.002 0.000 0.250 173 N C 1.086 176.499 175.510 -0.161 0.000 1.033 173 N CA 1.261 54.180 53.050 -0.218 0.000 0.727 173 N CB -0.879 37.352 38.487 -0.427 0.000 0.950 173 N HN 1.059 nan 8.380 nan 0.000 0.541 174 G N -1.482 107.247 108.800 -0.118 0.000 2.162 174 G HA2 -0.364 3.597 3.960 0.002 0.000 0.260 174 G HA3 -0.364 3.597 3.960 0.002 0.000 0.260 174 G C 0.107 175.084 174.900 0.128 0.000 0.976 174 G CA 0.730 45.771 45.100 -0.098 0.000 0.655 174 G HN 0.627 nan 8.290 nan 0.000 0.533 175 R N -0.549 120.008 120.500 0.096 0.000 2.740 175 R HA 0.738 5.079 4.340 0.002 0.000 0.282 175 R C 0.303 176.657 176.300 0.089 0.000 0.969 175 R CA -0.055 56.114 56.100 0.116 0.000 0.918 175 R CB 2.170 32.546 30.300 0.128 0.000 1.175 175 R HN 0.740 nan 8.270 nan 0.000 0.464 176 G N 0.759 109.609 108.800 0.083 0.000 2.559 176 G HA2 0.412 4.373 3.960 0.002 0.000 0.291 176 G HA3 0.412 4.373 3.960 0.002 0.000 0.291 176 G C -1.891 173.068 174.900 0.098 0.000 1.424 176 G CA -0.664 44.486 45.100 0.083 0.000 0.786 176 G HN 0.313 nan 8.290 nan 0.000 0.485 177 Q N -0.517 119.347 119.800 0.106 0.000 2.323 177 Q HA 0.650 4.991 4.340 0.002 0.000 0.271 177 Q C -1.553 174.551 176.000 0.174 0.000 1.048 177 Q CA -0.496 55.379 55.803 0.121 0.000 0.792 177 Q CB 2.909 31.688 28.738 0.067 0.000 1.280 177 Q HN 0.503 nan 8.270 nan 0.000 0.441 178 F N 2.575 122.559 119.950 0.057 0.000 2.469 178 F HA 0.382 4.910 4.527 0.002 0.000 0.332 178 F C 0.160 175.989 175.800 0.047 0.000 1.103 178 F CA -0.514 57.526 58.000 0.068 0.000 0.979 178 F CB 1.157 40.259 39.000 0.169 0.000 1.137 178 F HN 0.654 nan 8.300 nan 0.000 0.463 179 D N 2.395 122.393 120.400 -0.670 0.000 3.077 179 D HA -0.245 4.396 4.640 0.002 0.000 0.217 179 D C -0.668 175.518 176.300 -0.191 0.000 1.162 179 D CA 1.545 55.262 54.000 -0.472 0.000 0.943 179 D CB -1.273 39.314 40.800 -0.354 0.000 1.122 179 D HN 0.644 nan 8.370 nan 0.000 0.413 180 c N -2.763 115.765 118.600 -0.121 0.000 3.311 180 c HA 0.833 5.404 4.570 0.002 0.000 0.325 180 c C -0.264 173.794 174.090 -0.055 0.000 1.352 180 c CA -0.541 55.747 56.329 -0.068 0.000 1.308 180 c CB 2.267 44.760 42.510 -0.029 0.000 1.619 180 c HN 0.219 nan 8.230 nan 0.000 0.469 181 S N -0.038 115.636 115.700 -0.043 0.000 2.521 181 S HA 0.611 5.082 4.470 0.002 0.000 0.295 181 S C 0.580 175.178 174.600 -0.003 0.000 1.098 181 S CA -0.549 57.627 58.200 -0.040 0.000 0.999 181 S CB 1.041 64.201 63.200 -0.067 0.000 1.034 181 S HN 1.389 nan 8.310 nan 0.000 0.483 182 I N 1.972 122.558 120.570 0.027 0.000 3.291 182 I HA 0.351 4.522 4.170 0.002 0.000 0.279 182 I C 1.077 177.308 176.117 0.191 0.000 1.294 182 I CA 0.662 62.028 61.300 0.111 0.000 1.428 182 I CB -0.170 37.933 38.000 0.171 0.000 1.070 182 I HN 0.511 nan 8.210 nan 0.000 0.478 183 A N 1.010 123.860 122.820 0.050 0.000 2.713 183 A HA 0.738 5.059 4.320 0.002 0.000 0.296 183 A C 1.811 179.448 177.584 0.088 0.000 1.255 183 A CA 0.243 52.341 52.037 0.100 0.000 0.955 183 A CB -0.305 18.480 19.000 -0.359 0.000 1.149 183 A HN 0.438 nan 8.150 nan 0.000 0.538 184 A N 0.841 123.666 122.820 0.009 0.000 2.216 184 A HA -0.054 4.267 4.320 0.002 0.000 0.214 184 A C 1.863 179.394 177.584 -0.089 0.000 1.160 184 A CA 1.376 53.396 52.037 -0.028 0.000 0.725 184 A CB -0.454 18.524 19.000 -0.036 0.000 0.784 184 A HN 0.670 nan 8.150 nan 0.000 0.472 185 K N -1.472 118.789 120.400 -0.232 0.000 2.486 185 K HA -0.048 4.273 4.320 0.002 0.000 0.194 185 K C 0.543 176.915 176.600 -0.380 0.000 1.033 185 K CA 0.987 57.065 56.287 -0.348 0.000 1.004 185 K CB -0.333 31.889 32.500 -0.463 0.000 0.798 185 K HN 0.479 nan 8.250 nan 0.000 0.495 186 Y N 0.467 120.764 120.300 -0.004 0.000 2.457 186 Y HA 0.245 4.796 4.550 0.002 0.000 0.263 186 Y C -0.284 175.596 175.900 -0.034 0.000 1.164 186 Y CA -0.686 57.404 58.100 -0.016 0.000 1.274 186 Y CB 0.600 39.044 38.460 -0.027 0.000 1.097 186 Y HN 0.113 nan 8.280 nan 0.000 0.523 187 D N -1.193 119.242 120.400 0.058 0.000 2.452 187 D HA 0.154 4.795 4.640 0.002 0.000 0.226 187 D C 0.126 176.421 176.300 -0.009 0.000 1.366 187 D CA -0.146 53.868 54.000 0.023 0.000 0.986 187 D CB 1.253 42.063 40.800 0.018 0.000 1.420 187 D HN -0.111 nan 8.370 nan 0.000 0.583 188 S N 2.342 118.033 115.700 -0.014 0.000 2.493 188 S HA -0.124 4.347 4.470 0.002 0.000 0.243 188 S C 1.370 175.955 174.600 -0.024 0.000 0.991 188 S CA 0.688 58.875 58.200 -0.023 0.000 0.957 188 S CB -0.289 62.900 63.200 -0.019 0.000 0.756 188 S HN 0.600 nan 8.310 nan 0.000 0.521 189 N N 0.303 118.989 118.700 -0.024 0.000 2.463 189 N HA 0.163 4.904 4.740 0.002 0.000 0.181 189 N C -0.171 175.316 175.510 -0.039 0.000 1.078 189 N CA 0.113 53.145 53.050 -0.029 0.000 0.902 189 N CB 0.095 38.565 38.487 -0.028 0.000 0.970 189 N HN 0.318 nan 8.380 nan 0.000 0.451 190 L N 0.987 122.187 121.223 -0.039 0.000 2.357 190 L HA 0.286 4.627 4.340 0.002 0.000 0.273 190 L C 0.044 176.886 176.870 -0.046 0.000 1.080 190 L CA -0.578 54.233 54.840 -0.048 0.000 0.803 190 L CB 1.368 43.400 42.059 -0.046 0.000 1.174 190 L HN -0.047 nan 8.230 nan 0.000 0.443 191 E N 3.613 123.781 120.200 -0.053 0.000 2.200 191 E HA 0.288 4.639 4.350 0.002 0.000 0.283 191 E C -2.410 174.167 176.600 -0.038 0.000 1.015 191 E CA -1.821 54.552 56.400 -0.046 0.000 0.819 191 E CB 1.118 30.786 29.700 -0.053 0.000 1.081 191 E HN 0.142 nan 8.360 nan 0.000 0.397 192 P HA 0.056 nan 4.420 nan 0.000 0.271 192 P C -0.710 176.582 177.300 -0.013 0.000 1.216 192 P CA -0.345 62.742 63.100 -0.022 0.000 0.771 192 P CB 0.543 32.228 31.700 -0.025 0.000 0.864 193 c N 4.171 122.769 118.600 -0.003 0.000 2.536 193 c HA 0.265 4.836 4.570 0.002 0.000 0.396 193 c C 0.784 174.876 174.090 0.005 0.000 1.279 193 c CA -0.291 56.041 56.329 0.005 0.000 2.148 193 c CB -0.544 41.977 42.510 0.018 0.000 2.584 193 c HN 0.483 nan 8.230 nan 0.000 0.579 194 K N 2.703 123.105 120.400 0.003 0.000 2.240 194 K HA 0.745 5.066 4.320 0.002 0.000 0.271 194 K C -1.074 175.528 176.600 0.003 0.000 1.018 194 K CA 0.068 56.355 56.287 0.000 0.000 0.874 194 K CB 0.657 33.155 32.500 -0.004 0.000 1.098 194 K HN 0.533 nan 8.250 nan 0.000 0.458 195 L N 3.406 124.632 121.223 0.004 0.000 2.614 195 L HA 0.232 4.573 4.340 0.002 0.000 0.264 195 L C 0.269 177.142 176.870 0.005 0.000 0.940 195 L CA -0.550 54.294 54.840 0.006 0.000 0.903 195 L CB 1.909 43.977 42.059 0.016 0.000 1.306 195 L HN 0.542 nan 8.230 nan 0.000 0.410 196 K N 1.648 122.049 120.400 0.002 0.000 2.459 196 K HA 0.205 4.526 4.320 0.002 0.000 0.193 196 K C 1.267 177.871 176.600 0.007 0.000 1.030 196 K CA 0.692 56.980 56.287 0.002 0.000 1.026 196 K CB 0.327 32.827 32.500 -0.001 0.000 0.809 196 K HN 0.955 nan 8.250 nan 0.000 0.504 197 G N 1.192 109.999 108.800 0.012 0.000 2.176 197 G HA2 -0.263 3.698 3.960 0.002 0.000 0.232 197 G HA3 -0.263 3.698 3.960 0.002 0.000 0.232 197 G C 0.808 175.722 174.900 0.023 0.000 0.986 197 G CA 0.475 45.586 45.100 0.019 0.000 0.643 197 G HN 0.362 nan 8.290 nan 0.000 0.522 198 S N -0.657 115.052 115.700 0.014 0.000 2.540 198 S HA 0.463 4.934 4.470 0.002 0.000 0.218 198 S C 0.504 175.107 174.600 0.005 0.000 0.977 198 S CA 0.414 58.623 58.200 0.014 0.000 0.918 198 S CB 0.815 64.019 63.200 0.007 0.000 0.806 198 S HN 0.472 nan 8.310 nan 0.000 0.496 199 E N 2.199 122.397 120.200 -0.003 0.000 2.345 199 E HA 0.392 4.743 4.350 0.002 0.000 0.259 199 E C 1.052 177.638 176.600 -0.024 0.000 1.117 199 E CA 0.145 56.527 56.400 -0.031 0.000 0.913 199 E CB 0.609 30.291 29.700 -0.031 0.000 1.057 199 E HN 0.255 nan 8.360 nan 0.000 0.432 200 S N -0.458 115.186 115.700 -0.093 0.000 2.419 200 S HA -0.176 4.295 4.470 0.002 0.000 0.233 200 S C 1.721 176.330 174.600 0.016 0.000 1.016 200 S CA 0.939 59.087 58.200 -0.086 0.000 0.974 200 S CB -0.656 62.296 63.200 -0.413 0.000 0.786 200 S HN 0.719 nan 8.310 nan 0.000 0.492 201 c N 1.158 119.755 118.600 -0.006 0.000 2.906 201 c HA 0.789 5.360 4.570 0.002 0.000 0.274 201 c C 1.160 175.283 174.090 0.056 0.000 1.257 201 c CA -1.133 55.218 56.329 0.036 0.000 1.695 201 c CB -1.808 40.715 42.510 0.022 0.000 1.958 201 c HN 0.567 nan 8.230 nan 0.000 0.619 202 A N 3.311 126.163 122.820 0.053 0.000 2.477 202 A HA 0.533 4.854 4.320 0.002 0.000 0.246 202 A C -1.809 175.825 177.584 0.083 0.000 1.078 202 A CA -0.702 51.369 52.037 0.057 0.000 0.770 202 A CB -0.194 18.833 19.000 0.046 0.000 1.011 202 A HN 0.560 nan 8.150 nan 0.000 0.494 203 P HA -0.097 nan 4.420 nan 0.000 0.265 203 P C -0.869 176.504 177.300 0.121 0.000 1.187 203 P CA 0.511 63.668 63.100 0.095 0.000 0.766 203 P CB 0.183 31.923 31.700 0.066 0.000 0.820 204 Y N 3.757 124.081 120.300 0.039 0.000 2.556 204 Y HA 0.304 4.855 4.550 0.002 0.000 0.352 204 Y C -0.041 175.884 175.900 0.043 0.000 1.006 204 Y CA -0.510 57.630 58.100 0.067 0.000 1.277 204 Y CB -0.366 38.159 38.460 0.107 0.000 1.136 204 Y HN 0.144 nan 8.280 nan 0.000 0.523 205 I N 7.011 127.442 120.570 -0.232 0.000 2.441 205 I HA 0.056 4.227 4.170 0.002 0.000 0.287 205 I C -0.611 175.274 176.117 -0.386 0.000 1.049 205 I CA 0.058 61.173 61.300 -0.308 0.000 1.381 205 I CB 0.059 37.840 38.000 -0.364 0.000 1.409 205 I HN 0.378 nan 8.210 nan 0.000 0.523 206 F N 5.350 125.071 119.950 -0.381 0.000 2.445 206 F HA 0.270 4.798 4.527 0.002 0.000 0.359 206 F C 0.675 176.218 175.800 -0.429 0.000 1.101 206 F CA -0.487 57.330 58.000 -0.305 0.000 1.177 206 F CB -0.217 38.708 39.000 -0.125 0.000 1.110 206 F HN 0.351 nan 8.300 nan 0.000 0.522 207 H N 2.987 122.050 119.070 -0.011 0.000 2.476 207 H HA 0.598 5.155 4.556 0.002 0.000 0.328 207 H C -0.390 174.825 175.328 -0.189 0.000 1.073 207 H CA -0.526 55.481 56.048 -0.069 0.000 1.229 207 H CB 2.058 31.784 29.762 -0.060 0.000 1.432 207 H HN 0.420 nan 8.280 nan 0.000 0.477 208 V N 0.373 120.207 119.914 -0.133 0.000 2.962 208 V HA 0.604 4.725 4.120 0.002 0.000 0.313 208 V C 0.120 176.108 176.094 -0.177 0.000 1.099 208 V CA -0.917 61.155 62.300 -0.380 0.000 0.971 208 V CB 2.075 33.462 31.823 -0.726 0.000 1.028 208 V HN 0.636 nan 8.190 nan 0.000 0.430 209 S N 3.344 119.041 115.700 -0.005 0.000 2.617 209 S HA 0.649 5.120 4.470 0.002 0.000 0.283 209 S C -2.554 172.014 174.600 -0.053 0.000 1.189 209 S CA -0.988 57.219 58.200 0.012 0.000 1.036 209 S CB 1.242 64.500 63.200 0.097 0.000 1.014 209 S HN 0.806 nan 8.310 nan 0.000 0.522 210 P HA -0.043 nan 4.420 nan 0.000 0.267 210 P C 0.197 177.538 177.300 0.068 0.000 1.195 210 P CA 0.277 63.391 63.100 0.024 0.000 0.773 210 P CB 0.237 32.015 31.700 0.131 0.000 0.837 211 K N -0.125 120.334 120.400 0.099 0.000 3.016 211 K HA -0.236 4.085 4.320 0.002 0.000 0.262 211 K C -0.965 175.676 176.600 0.069 0.000 1.043 211 K CA 1.535 57.877 56.287 0.092 0.000 0.761 211 K CB -1.359 31.191 32.500 0.083 0.000 1.230 211 K HN 0.435 nan 8.250 nan 0.000 0.485 212 K N 0.192 120.636 120.400 0.072 0.000 2.258 212 K HA 0.453 4.774 4.320 0.002 0.000 0.236 212 K C -0.159 176.407 176.600 -0.057 0.000 1.008 212 K CA -0.675 55.593 56.287 -0.031 0.000 0.869 212 K CB 1.383 33.813 32.500 -0.118 0.000 1.171 212 K HN 0.089 nan 8.250 nan 0.000 0.447 213 T N 1.377 115.795 114.554 -0.226 0.000 2.797 213 T HA 0.518 4.869 4.350 0.002 0.000 0.279 213 T C -1.131 173.349 174.700 -0.367 0.000 0.991 213 T CA -0.436 61.582 62.100 -0.138 0.000 0.979 213 T CB 0.274 69.117 68.868 -0.042 0.000 0.943 213 T HN 0.251 nan 8.240 nan 0.000 0.444 214 Y N 1.212 121.513 120.300 0.002 0.000 2.462 214 Y HA 0.585 5.136 4.550 0.002 0.000 0.346 214 Y C 0.282 176.099 175.900 -0.137 0.000 0.976 214 Y CA -1.316 56.763 58.100 -0.034 0.000 1.044 214 Y CB 1.638 40.067 38.460 -0.052 0.000 1.230 214 Y HN 0.472 nan 8.280 nan 0.000 0.455 215 R N 3.368 123.780 120.500 -0.147 0.000 2.207 215 R HA 0.584 4.925 4.340 0.002 0.000 0.334 215 R C -1.735 174.429 176.300 -0.226 0.000 1.013 215 R CA -0.016 55.850 56.100 -0.390 0.000 0.858 215 R CB 0.066 29.768 30.300 -0.997 0.000 1.094 215 R HN 0.721 nan 8.270 nan 0.000 0.457 216 I N 5.696 126.144 120.570 -0.203 0.000 2.328 216 I HA 0.356 4.527 4.170 0.002 0.000 0.287 216 I C 0.135 176.108 176.117 -0.239 0.000 1.012 216 I CA -0.780 60.388 61.300 -0.220 0.000 1.195 216 I CB 1.427 39.323 38.000 -0.174 0.000 1.350 216 I HN 0.515 nan 8.210 nan 0.000 0.464 217 R N 7.175 127.538 120.500 -0.229 0.000 2.254 217 R HA 0.692 5.033 4.340 0.002 0.000 0.318 217 R C -0.898 175.261 176.300 -0.235 0.000 1.031 217 R CA -0.480 55.499 56.100 -0.202 0.000 0.905 217 R CB 1.311 31.514 30.300 -0.161 0.000 1.050 217 R HN 0.535 nan 8.270 nan 0.000 0.456 218 I N 1.772 122.203 120.570 -0.231 0.000 2.499 218 I HA 0.521 4.692 4.170 0.002 0.000 0.288 218 I C -0.519 175.469 176.117 -0.215 0.000 1.048 218 I CA -0.666 60.472 61.300 -0.269 0.000 1.062 218 I CB 2.185 39.956 38.000 -0.383 0.000 1.238 218 I HN 0.651 nan 8.210 nan 0.000 0.426 219 A N 3.788 126.441 122.820 -0.278 0.000 2.435 219 A HA 0.841 5.162 4.320 0.002 0.000 0.304 219 A C -0.981 176.283 177.584 -0.533 0.000 1.064 219 A CA -0.607 51.200 52.037 -0.383 0.000 0.727 219 A CB 2.096 20.835 19.000 -0.435 0.000 1.284 219 A HN 0.522 nan 8.150 nan 0.000 0.415 220 S N 0.049 115.377 115.700 -0.621 0.000 2.519 220 S HA 0.615 5.086 4.470 0.002 0.000 0.309 220 S C -0.147 174.031 174.600 -0.704 0.000 1.100 220 S CA -0.138 57.744 58.200 -0.529 0.000 1.059 220 S CB 0.704 63.747 63.200 -0.262 0.000 1.008 220 S HN 0.799 nan 8.310 nan 0.000 0.478 221 T N 1.899 116.075 114.554 -0.630 0.000 3.331 221 T HA 0.178 4.529 4.350 0.002 0.000 0.282 221 T C 0.421 174.940 174.700 -0.301 0.000 1.010 221 T CA -0.509 61.319 62.100 -0.453 0.000 0.928 221 T CB -0.372 68.141 68.868 -0.593 0.000 1.154 221 T HN 0.734 nan 8.240 nan 0.000 0.516 222 T N -0.128 114.310 114.554 -0.193 0.000 2.940 222 T HA 0.461 4.812 4.350 0.002 0.000 0.309 222 T C 1.654 176.351 174.700 -0.006 0.000 1.056 222 T CA -0.114 61.938 62.100 -0.081 0.000 1.137 222 T CB 1.191 70.031 68.868 -0.046 0.000 0.976 222 T HN 0.210 nan 8.240 nan 0.000 0.547 223 A N 2.027 124.884 122.820 0.062 0.000 1.970 223 A HA 0.254 4.575 4.320 0.002 0.000 0.216 223 A C 1.851 179.448 177.584 0.021 0.000 1.170 223 A CA 0.951 53.000 52.037 0.019 0.000 0.645 223 A CB -0.454 18.547 19.000 0.003 0.000 0.816 223 A HN 0.799 nan 8.150 nan 0.000 0.447 224 L N -2.686 118.619 121.223 0.136 0.000 2.658 224 L HA 0.566 4.907 4.340 0.002 0.000 0.201 224 L C 1.084 178.009 176.870 0.092 0.000 1.050 224 L CA 0.922 55.830 54.840 0.114 0.000 0.893 224 L CB -0.253 41.955 42.059 0.249 0.000 1.503 224 L HN 0.162 nan 8.230 nan 0.000 0.485 225 A N 1.061 123.925 122.820 0.073 0.000 2.498 225 A HA 0.592 4.913 4.320 0.002 0.000 0.239 225 A C 0.168 177.766 177.584 0.022 0.000 1.068 225 A CA 0.382 52.437 52.037 0.030 0.000 0.766 225 A CB -0.329 18.653 19.000 -0.030 0.000 1.003 225 A HN 0.491 nan 8.150 nan 0.000 0.497 226 A N 2.291 125.127 122.820 0.026 0.000 2.312 226 A HA 0.718 5.039 4.320 0.002 0.000 0.326 226 A C -0.307 177.207 177.584 -0.116 0.000 1.172 226 A CA -0.458 51.550 52.037 -0.048 0.000 0.821 226 A CB 0.453 19.474 19.000 0.036 0.000 1.166 226 A HN 0.838 nan 8.150 nan 0.000 0.493 227 L N 1.619 122.726 121.223 -0.193 0.000 2.309 227 L HA 0.562 4.903 4.340 0.002 0.000 0.261 227 L C -0.013 176.753 176.870 -0.174 0.000 1.021 227 L CA -0.830 53.926 54.840 -0.141 0.000 0.823 227 L CB 2.080 44.081 42.059 -0.098 0.000 1.366 227 L HN 0.803 nan 8.230 nan 0.000 0.423 228 N N 0.787 119.414 118.700 -0.122 0.000 2.346 228 N HA 0.388 5.129 4.740 0.002 0.000 0.289 228 N C -1.990 173.481 175.510 -0.066 0.000 1.027 228 N CA -0.347 52.623 53.050 -0.133 0.000 0.864 228 N CB 2.180 40.583 38.487 -0.140 0.000 1.370 228 N HN 0.426 nan 8.380 nan 0.000 0.481 229 F N 3.219 123.052 119.950 -0.196 0.000 2.449 229 F HA 0.694 5.222 4.527 0.002 0.000 0.342 229 F C -0.949 174.774 175.800 -0.128 0.000 1.127 229 F CA -0.392 57.522 58.000 -0.144 0.000 0.975 229 F CB 1.120 40.038 39.000 -0.138 0.000 1.146 229 F HN 0.504 nan 8.300 nan 0.000 0.444 230 A N 7.149 129.557 122.820 -0.687 0.000 2.422 230 A HA 0.763 5.084 4.320 0.002 0.000 0.302 230 A C -1.467 175.794 177.584 -0.538 0.000 1.041 230 A CA -0.629 51.126 52.037 -0.469 0.000 0.708 230 A CB 1.062 19.913 19.000 -0.249 0.000 1.257 230 A HN 0.724 nan 8.150 nan 0.000 0.414 231 I N 1.899 122.278 120.570 -0.319 0.000 2.377 231 I HA 0.450 4.621 4.170 0.002 0.000 0.293 231 I C 1.153 177.268 176.117 -0.004 0.000 0.987 231 I CA -0.527 60.677 61.300 -0.161 0.000 1.185 231 I CB 1.934 39.876 38.000 -0.097 0.000 1.341 231 I HN 0.790 nan 8.210 nan 0.000 0.455 232 G N 3.157 112.004 108.800 0.079 0.000 2.380 232 G HA2 0.049 4.010 3.960 0.002 0.000 0.242 232 G HA3 0.049 4.010 3.960 0.002 0.000 0.242 232 G C 0.398 175.347 174.900 0.081 0.000 1.298 232 G CA -0.047 45.121 45.100 0.113 0.000 0.878 232 G HN 0.926 nan 8.290 nan 0.000 0.542 233 N N -0.717 117.957 118.700 -0.042 0.000 2.713 233 N HA -0.193 4.548 4.740 0.002 0.000 0.251 233 N C -0.470 174.780 175.510 -0.433 0.000 1.117 233 N CA 1.637 54.544 53.050 -0.239 0.000 0.770 233 N CB -1.280 36.986 38.487 -0.368 0.000 1.137 233 N HN 0.803 nan 8.380 nan 0.000 0.566 234 H N -0.466 118.514 119.070 -0.150 0.000 2.609 234 H HA 0.354 4.912 4.556 0.002 0.000 0.344 234 H C -0.247 175.064 175.328 -0.028 0.000 1.040 234 H CA -0.693 55.300 56.048 -0.091 0.000 1.216 234 H CB 0.935 30.658 29.762 -0.064 0.000 1.529 234 H HN -0.046 nan 8.280 nan 0.000 0.519 235 Q N 2.364 122.212 119.800 0.080 0.000 2.352 235 Q HA 0.233 4.574 4.340 0.002 0.000 0.260 235 Q C -0.380 175.732 176.000 0.187 0.000 0.976 235 Q CA -0.028 55.840 55.803 0.108 0.000 0.881 235 Q CB 1.194 29.958 28.738 0.044 0.000 1.235 235 Q HN 0.564 nan 8.270 nan 0.000 0.419 236 L N 2.818 124.144 121.223 0.171 0.000 2.317 236 L HA 0.508 4.849 4.340 0.002 0.000 0.281 236 L C -0.364 176.527 176.870 0.035 0.000 1.024 236 L CA -0.978 53.923 54.840 0.101 0.000 0.810 236 L CB 1.161 43.255 42.059 0.059 0.000 1.240 236 L HN 0.357 nan 8.230 nan 0.000 0.427 237 L N 3.500 124.656 121.223 -0.112 0.000 2.298 237 L HA 0.504 4.845 4.340 0.002 0.000 0.284 237 L C -0.540 176.096 176.870 -0.390 0.000 1.013 237 L CA -0.312 54.292 54.840 -0.392 0.000 0.824 237 L CB 1.722 43.475 42.059 -0.509 0.000 1.221 237 L HN 0.285 nan 8.230 nan 0.000 0.418 238 V N 6.232 125.832 119.914 -0.523 0.000 2.488 238 V HA 0.170 4.291 4.120 0.002 0.000 0.277 238 V C 0.921 176.855 176.094 -0.267 0.000 1.046 238 V CA 0.329 62.387 62.300 -0.404 0.000 0.986 238 V CB 1.099 32.557 31.823 -0.608 0.000 0.989 238 V HN 0.755 nan 8.190 nan 0.000 0.475 239 V N 0.878 120.661 119.914 -0.219 0.000 3.539 239 V HA 0.476 4.597 4.120 0.002 0.000 0.262 239 V C 0.417 176.539 176.094 0.046 0.000 1.381 239 V CA 0.263 62.446 62.300 -0.195 0.000 1.060 239 V CB 0.410 31.801 31.823 -0.719 0.000 0.842 239 V HN 0.782 nan 8.190 nan 0.000 0.445 240 E N 0.524 120.747 120.200 0.039 0.000 2.331 240 E HA 0.748 5.099 4.350 0.002 0.000 0.275 240 E C -1.567 175.038 176.600 0.008 0.000 0.895 240 E CA -0.257 56.169 56.400 0.044 0.000 0.753 240 E CB 2.567 32.260 29.700 -0.010 0.000 1.216 240 E HN 0.496 nan 8.360 nan 0.000 0.434 241 A N 3.308 126.069 122.820 -0.099 0.000 2.408 241 A HA 0.478 4.799 4.320 0.002 0.000 0.295 241 A C -0.827 176.581 177.584 -0.293 0.000 1.040 241 A CA -0.508 51.337 52.037 -0.318 0.000 0.707 241 A CB 0.888 19.804 19.000 -0.141 0.000 1.235 241 A HN 0.749 nan 8.150 nan 0.000 0.418 242 D N 1.589 121.778 120.400 -0.352 0.000 2.702 242 D HA -0.168 4.474 4.640 0.002 0.000 0.233 242 D C 1.169 177.381 176.300 -0.148 0.000 1.164 242 D CA 3.022 56.899 54.000 -0.206 0.000 0.638 242 D CB -1.228 39.487 40.800 -0.141 0.000 1.041 242 D HN 2.101 nan 8.370 nan 0.000 0.422 243 G N -0.960 107.653 108.800 -0.311 0.000 2.136 243 G HA2 -0.312 3.649 3.960 0.002 0.000 0.242 243 G HA3 -0.312 3.649 3.960 0.002 0.000 0.242 243 G C 0.041 174.788 174.900 -0.255 0.000 0.989 243 G CA 0.180 45.085 45.100 -0.325 0.000 0.682 243 G HN 0.531 nan 8.290 nan 0.000 0.522 244 N N -0.916 117.615 118.700 -0.282 0.000 2.284 244 N HA 0.537 5.278 4.740 0.002 0.000 0.289 244 N C -1.176 174.187 175.510 -0.244 0.000 1.179 244 N CA -0.580 52.302 53.050 -0.280 0.000 0.774 244 N CB 1.302 39.712 38.487 -0.129 0.000 1.548 244 N HN 0.039 nan 8.380 nan 0.000 0.473 245 Y N 0.176 120.524 120.300 0.080 0.000 2.310 245 Y HA 0.355 4.906 4.550 0.002 0.000 0.326 245 Y C 0.944 176.913 175.900 0.114 0.000 1.151 245 Y CA -0.699 57.472 58.100 0.117 0.000 1.195 245 Y CB 0.862 39.414 38.460 0.154 0.000 1.210 245 Y HN 0.177 nan 8.280 nan 0.000 0.483 246 V N 0.162 120.246 119.914 0.283 0.000 3.103 246 V HA 0.512 4.633 4.120 0.002 0.000 0.318 246 V C -0.465 175.763 176.094 0.222 0.000 1.114 246 V CA -1.499 60.942 62.300 0.235 0.000 1.020 246 V CB 1.709 33.688 31.823 0.260 0.000 1.085 246 V HN 0.775 nan 8.190 nan 0.000 0.446 247 Q N 2.040 121.962 119.800 0.203 0.000 2.271 247 Q HA 0.321 4.662 4.340 0.002 0.000 0.273 247 Q C -2.376 173.758 176.000 0.224 0.000 1.051 247 Q CA -1.207 54.700 55.803 0.173 0.000 0.901 247 Q CB 0.730 29.548 28.738 0.134 0.000 1.174 247 Q HN 0.649 nan 8.270 nan 0.000 0.385 248 P HA 0.015 nan 4.420 nan 0.000 0.265 248 P C -1.344 176.053 177.300 0.162 0.000 1.187 248 P CA 0.385 63.520 63.100 0.058 0.000 0.766 248 P CB 0.242 31.905 31.700 -0.062 0.000 0.820 249 F N 0.178 120.038 119.950 -0.149 0.000 2.678 249 F HA 0.557 5.085 4.527 0.002 0.000 0.308 249 F C -1.807 173.889 175.800 -0.173 0.000 1.118 249 F CA -1.480 56.453 58.000 -0.110 0.000 0.959 249 F CB 0.537 39.539 39.000 0.004 0.000 1.305 249 F HN 0.149 nan 8.300 nan 0.000 0.443 250 Y N 0.477 120.842 120.300 0.109 0.000 2.376 250 Y HA 0.712 5.263 4.550 0.002 0.000 0.325 250 Y C 0.631 176.594 175.900 0.106 0.000 1.199 250 Y CA -0.406 57.706 58.100 0.020 0.000 1.206 250 Y CB 1.996 40.487 38.460 0.051 0.000 1.229 250 Y HN 0.964 nan 8.280 nan 0.000 0.480 251 T N -0.884 113.805 114.554 0.224 0.000 2.792 251 T HA 0.279 4.630 4.350 0.002 0.000 0.303 251 T C 0.317 175.087 174.700 0.118 0.000 1.310 251 T CA -0.151 62.069 62.100 0.200 0.000 1.007 251 T CB 0.789 69.801 68.868 0.239 0.000 1.335 251 T HN 0.609 nan 8.240 nan 0.000 0.504 252 S N 0.760 116.503 115.700 0.073 0.000 2.524 252 S HA 0.334 4.805 4.470 0.002 0.000 0.216 252 S C 0.036 174.624 174.600 -0.020 0.000 0.987 252 S CA 0.607 58.821 58.200 0.022 0.000 0.909 252 S CB -0.576 62.628 63.200 0.005 0.000 0.781 252 S HN 0.910 nan 8.310 nan 0.000 0.521 253 D N -0.116 120.257 120.400 -0.046 0.000 2.728 253 D HA 0.482 5.123 4.640 0.002 0.000 0.249 253 D C -0.936 175.227 176.300 -0.229 0.000 1.225 253 D CA -0.961 52.976 54.000 -0.105 0.000 0.748 253 D CB 0.499 41.216 40.800 -0.138 0.000 1.326 253 D HN 0.330 nan 8.370 nan 0.000 0.426 254 I N -2.595 117.799 120.570 -0.294 0.000 2.785 254 I HA 0.719 4.890 4.170 0.002 0.000 0.302 254 I C -1.224 174.530 176.117 -0.606 0.000 1.069 254 I CA -0.951 59.920 61.300 -0.714 0.000 1.045 254 I CB 2.160 39.793 38.000 -0.612 0.000 1.236 254 I HN 0.154 nan 8.210 nan 0.000 0.429 255 D N 4.434 124.339 120.400 -0.825 0.000 2.175 255 D HA 0.607 5.248 4.640 0.002 0.000 0.248 255 D C -0.905 175.178 176.300 -0.362 0.000 1.047 255 D CA 0.070 53.788 54.000 -0.469 0.000 0.883 255 D CB 2.845 43.463 40.800 -0.304 0.000 1.180 255 D HN 0.619 nan 8.370 nan 0.000 0.438 256 I N 1.902 122.251 120.570 -0.369 0.000 2.607 256 I HA 0.299 4.470 4.170 0.002 0.000 0.290 256 I C -1.592 174.353 176.117 -0.288 0.000 1.129 256 I CA -0.669 60.547 61.300 -0.140 0.000 1.042 256 I CB 1.160 39.142 38.000 -0.030 0.000 1.242 256 I HN 0.203 nan 8.210 nan 0.000 0.421 257 Y N 3.971 124.339 120.300 0.114 0.000 2.496 257 Y HA 0.381 4.933 4.550 0.002 0.000 0.331 257 Y C 0.792 176.700 175.900 0.014 0.000 1.140 257 Y CA -0.453 57.687 58.100 0.068 0.000 1.166 257 Y CB 1.680 40.197 38.460 0.096 0.000 1.249 257 Y HN 0.483 nan 8.280 nan 0.000 0.479 258 S N 0.819 116.606 115.700 0.144 0.000 2.575 258 S HA 0.321 4.792 4.470 0.002 0.000 0.295 258 S C 1.019 175.542 174.600 -0.128 0.000 1.267 258 S CA 1.203 59.423 58.200 0.032 0.000 1.074 258 S CB -0.620 62.668 63.200 0.145 0.000 0.829 258 S HN 1.168 nan 8.310 nan 0.000 0.497 259 G N 3.868 112.489 108.800 -0.299 0.000 2.238 259 G HA2 -0.166 3.795 3.960 0.002 0.000 0.217 259 G HA3 -0.166 3.795 3.960 0.002 0.000 0.217 259 G C -0.187 174.659 174.900 -0.092 0.000 0.996 259 G CA 0.018 44.871 45.100 -0.411 0.000 0.632 259 G HN 0.680 nan 8.290 nan 0.000 0.503 260 E N 0.931 121.119 120.200 -0.021 0.000 2.319 260 E HA 0.569 4.920 4.350 0.002 0.000 0.268 260 E C 0.034 176.581 176.600 -0.089 0.000 1.050 260 E CA 0.248 56.637 56.400 -0.018 0.000 0.878 260 E CB 1.405 31.174 29.700 0.115 0.000 1.066 260 E HN 0.526 nan 8.360 nan 0.000 0.406 261 S N 1.380 116.953 115.700 -0.211 0.000 2.541 261 S HA 0.613 5.084 4.470 0.002 0.000 0.280 261 S C -1.273 173.100 174.600 -0.378 0.000 1.112 261 S CA -0.842 57.238 58.200 -0.200 0.000 0.925 261 S CB 0.766 63.886 63.200 -0.134 0.000 1.067 261 S HN 0.445 nan 8.310 nan 0.000 0.479 262 Y N -0.029 120.194 120.300 -0.127 0.000 2.581 262 Y HA 0.699 5.250 4.550 0.002 0.000 0.345 262 Y C 0.014 175.810 175.900 -0.174 0.000 1.036 262 Y CA -0.788 57.244 58.100 -0.114 0.000 1.042 262 Y CB 2.743 41.155 38.460 -0.081 0.000 1.289 262 Y HN 0.758 nan 8.280 nan 0.000 0.471 263 S N 1.125 116.826 115.700 0.002 0.000 2.561 263 S HA 0.641 5.112 4.470 0.002 0.000 0.303 263 S C -1.323 173.182 174.600 -0.159 0.000 1.110 263 S CA -0.641 57.488 58.200 -0.118 0.000 1.034 263 S CB 1.555 64.669 63.200 -0.142 0.000 1.010 263 S HN 0.356 nan 8.310 nan 0.000 0.482 264 V N 4.178 123.978 119.914 -0.191 0.000 2.667 264 V HA 0.580 4.701 4.120 0.002 0.000 0.308 264 V C -1.013 174.959 176.094 -0.204 0.000 1.048 264 V CA -0.686 61.499 62.300 -0.191 0.000 0.928 264 V CB 1.787 33.524 31.823 -0.142 0.000 1.004 264 V HN 0.671 nan 8.190 nan 0.000 0.444 265 L N 5.735 126.842 121.223 -0.194 0.000 2.325 265 L HA 0.692 5.033 4.340 0.002 0.000 0.278 265 L C -0.233 176.636 176.870 -0.002 0.000 1.023 265 L CA -0.016 54.748 54.840 -0.127 0.000 0.811 265 L CB 1.661 43.627 42.059 -0.155 0.000 1.249 265 L HN 0.626 nan 8.230 nan 0.000 0.431 266 I N -1.971 118.641 120.570 0.070 0.000 3.042 266 I HA 0.823 4.994 4.170 0.002 0.000 0.310 266 I C -0.666 175.560 176.117 0.183 0.000 1.117 266 I CA -0.440 60.947 61.300 0.145 0.000 1.003 266 I CB 2.580 40.664 38.000 0.140 0.000 1.228 266 I HN 0.380 nan 8.210 nan 0.000 0.443 267 T N 1.071 115.755 114.554 0.217 0.000 2.881 267 T HA 0.353 4.704 4.350 0.002 0.000 0.290 267 T C 0.015 174.874 174.700 0.265 0.000 1.000 267 T CA -0.521 61.701 62.100 0.204 0.000 0.978 267 T CB 1.499 70.460 68.868 0.154 0.000 0.997 267 T HN 0.798 nan 8.240 nan 0.000 0.443 268 T N 0.048 114.747 114.554 0.242 0.000 4.309 268 T HA 0.136 4.487 4.350 0.002 0.000 0.242 268 T C 0.600 175.479 174.700 0.298 0.000 1.142 268 T CA -0.752 61.505 62.100 0.261 0.000 1.042 268 T CB -0.570 68.262 68.868 -0.061 0.000 1.366 268 T HN 0.618 nan 8.240 nan 0.000 0.942 269 D N -0.152 120.395 120.400 0.245 0.000 2.460 269 D HA 0.076 4.717 4.640 0.002 0.000 0.229 269 D C 0.391 176.761 176.300 0.117 0.000 1.170 269 D CA -0.327 53.767 54.000 0.157 0.000 0.827 269 D CB 0.270 41.122 40.800 0.088 0.000 0.973 269 D HN 0.290 nan 8.370 nan 0.000 0.496 270 Q N 0.144 120.054 119.800 0.184 0.000 2.427 270 Q HA 0.216 4.557 4.340 0.002 0.000 0.232 270 Q C 0.109 176.166 176.000 0.094 0.000 1.018 270 Q CA -0.780 55.032 55.803 0.015 0.000 0.965 270 Q CB 0.470 29.038 28.738 -0.282 0.000 1.232 270 Q HN 0.131 nan 8.270 nan 0.000 0.510 271 N N 2.110 120.848 118.700 0.063 0.000 2.414 271 N HA -0.017 4.724 4.740 0.002 0.000 0.268 271 N C -1.988 173.513 175.510 -0.015 0.000 1.286 271 N CA -0.643 52.430 53.050 0.039 0.000 0.896 271 N CB 0.640 39.136 38.487 0.014 0.000 1.093 271 N HN 0.135 nan 8.380 nan 0.000 0.480 272 P HA 0.086 nan 4.420 nan 0.000 0.241 272 P C 0.272 177.607 177.300 0.057 0.000 1.191 272 P CA 0.544 63.741 63.100 0.161 0.000 0.771 272 P CB 0.392 32.226 31.700 0.224 0.000 0.929 273 S N -0.611 115.072 115.700 -0.027 0.000 2.605 273 S HA 0.073 4.544 4.470 0.002 0.000 0.217 273 S C 0.574 175.091 174.600 -0.139 0.000 0.958 273 S CA -0.158 58.011 58.200 -0.051 0.000 0.919 273 S CB -0.481 62.696 63.200 -0.038 0.000 0.780 273 S HN 0.382 nan 8.310 nan 0.000 0.507 274 E N 0.430 120.467 120.200 -0.271 0.000 2.416 274 E HA 0.455 4.806 4.350 0.002 0.000 0.273 274 E C -1.431 174.787 176.600 -0.637 0.000 0.935 274 E CA -1.112 55.032 56.400 -0.427 0.000 0.784 274 E CB 0.938 30.343 29.700 -0.490 0.000 1.301 274 E HN -0.120 nan 8.360 nan 0.000 0.454 275 N N 0.235 118.583 118.700 -0.586 0.000 2.472 275 N HA 0.383 5.124 4.740 0.002 0.000 0.289 275 N C -1.308 173.751 175.510 -0.753 0.000 1.156 275 N CA -0.239 52.514 53.050 -0.495 0.000 0.940 275 N CB 0.888 39.181 38.487 -0.322 0.000 1.200 275 N HN 0.404 nan 8.380 nan 0.000 0.511 276 Y N -1.061 119.103 120.300 -0.226 0.000 2.570 276 Y HA 0.375 4.926 4.550 0.002 0.000 0.345 276 Y C -0.353 175.411 175.900 -0.228 0.000 1.014 276 Y CA -0.852 57.136 58.100 -0.186 0.000 1.063 276 Y CB 1.315 39.781 38.460 0.009 0.000 1.272 276 Y HN 0.423 nan 8.280 nan 0.000 0.477 277 W N 1.159 122.500 121.300 0.069 0.000 2.316 277 W HA 0.608 5.270 4.660 0.002 0.000 0.321 277 W C -0.965 175.472 176.519 -0.136 0.000 1.203 277 W CA -0.583 56.728 57.345 -0.058 0.000 1.214 277 W CB 1.109 30.515 29.460 -0.091 0.000 1.169 277 W HN 0.044 nan 8.180 nan 0.000 0.561 278 V N 3.279 123.269 119.914 0.126 0.000 2.409 278 V HA 0.355 4.476 4.120 0.002 0.000 0.291 278 V C -0.315 175.686 176.094 -0.156 0.000 1.020 278 V CA -0.712 61.489 62.300 -0.164 0.000 0.848 278 V CB 1.482 33.122 31.823 -0.305 0.000 0.990 278 V HN 0.474 nan 8.190 nan 0.000 0.430 279 S N 3.581 119.114 115.700 -0.278 0.000 2.519 279 S HA 0.693 5.164 4.470 0.002 0.000 0.309 279 S C -0.734 173.722 174.600 -0.239 0.000 1.100 279 S CA -0.419 57.639 58.200 -0.236 0.000 1.059 279 S CB 1.549 64.608 63.200 -0.235 0.000 1.008 279 S HN 0.461 nan 8.310 nan 0.000 0.478 280 V N 4.462 124.297 119.914 -0.131 0.000 2.325 280 V HA 0.617 4.738 4.120 0.002 0.000 0.280 280 V C 0.688 176.733 176.094 -0.081 0.000 1.016 280 V CA -0.496 61.769 62.300 -0.059 0.000 0.818 280 V CB 1.047 32.888 31.823 0.029 0.000 1.019 280 V HN 0.884 nan 8.190 nan 0.000 0.434 281 G N 2.451 111.194 108.800 -0.095 0.000 2.417 281 G HA2 0.559 4.520 3.960 0.002 0.000 0.334 281 G HA3 0.559 4.520 3.960 0.002 0.000 0.334 281 G C -0.226 174.628 174.900 -0.077 0.000 1.150 281 G CA -0.414 44.630 45.100 -0.093 0.000 0.923 281 G HN 0.474 nan 8.290 nan 0.000 0.485 282 T N 1.791 116.306 114.554 -0.065 0.000 2.907 282 T HA 0.464 4.815 4.350 0.002 0.000 0.298 282 T C 0.391 175.086 174.700 -0.008 0.000 1.017 282 T CA 0.091 62.164 62.100 -0.045 0.000 1.118 282 T CB 0.678 69.517 68.868 -0.048 0.000 0.948 282 T HN 0.449 nan 8.240 nan 0.000 0.531 283 R N 0.786 121.299 120.500 0.022 0.000 2.885 283 R HA 0.673 5.014 4.340 0.002 0.000 0.260 283 R C 0.357 176.781 176.300 0.206 0.000 1.107 283 R CA -0.557 55.609 56.100 0.110 0.000 0.978 283 R CB 1.217 31.540 30.300 0.037 0.000 1.227 283 R HN 0.692 nan 8.270 nan 0.000 0.473 284 A N 0.248 123.283 122.820 0.359 0.000 3.383 284 A HA -0.232 4.089 4.320 0.002 0.000 0.264 284 A C 0.002 177.951 177.584 0.607 0.000 1.154 284 A CA 1.716 54.084 52.037 0.551 0.000 1.179 284 A CB -0.975 18.331 19.000 0.511 0.000 1.133 284 A HN 0.648 nan 8.150 nan 0.000 0.933 285 R N -2.024 118.703 120.500 0.378 0.000 2.643 285 R HA 0.464 4.805 4.340 0.002 0.000 0.269 285 R C -0.542 175.367 176.300 -0.652 0.000 1.037 285 R CA -0.644 55.418 56.100 -0.062 0.000 0.894 285 R CB 1.029 31.342 30.300 0.022 0.000 1.238 285 R HN 0.523 nan 8.270 nan 0.000 0.459 286 H N 3.006 121.264 119.070 -1.354 0.000 3.091 286 H HA 0.122 4.679 4.556 0.002 0.000 0.289 286 H C -2.033 172.933 175.328 -0.603 0.000 0.995 286 H CA -0.991 54.195 56.048 -1.437 0.000 1.461 286 H CB 0.739 29.952 29.762 -0.916 0.000 1.510 286 H HN 0.129 nan 8.280 nan 0.000 0.546 287 P HA 0.053 nan 4.420 nan 0.000 0.276 287 P C -0.300 176.993 177.300 -0.012 0.000 1.230 287 P CA -0.039 62.985 63.100 -0.128 0.000 0.776 287 P CB 0.642 32.267 31.700 -0.124 0.000 0.888 288 N N 0.423 119.103 118.700 -0.034 0.000 2.143 288 N HA 0.074 4.815 4.740 0.002 0.000 0.229 288 N C -0.845 174.633 175.510 -0.054 0.000 1.294 288 N CA 0.029 53.063 53.050 -0.026 0.000 0.883 288 N CB 0.664 39.138 38.487 -0.023 0.000 1.148 288 N HN 0.302 nan 8.380 nan 0.000 0.511 289 T N 1.860 116.371 114.554 -0.072 0.000 2.792 289 T HA 0.429 4.780 4.350 0.002 0.000 0.280 289 T C -2.563 172.089 174.700 -0.080 0.000 0.990 289 T CA -0.925 61.124 62.100 -0.085 0.000 0.960 289 T CB 2.098 70.896 68.868 -0.117 0.000 0.939 289 T HN -0.006 nan 8.240 nan 0.000 0.439 290 P HA 0.159 nan 4.420 nan 0.000 0.267 290 P C -2.321 174.929 177.300 -0.084 0.000 1.201 290 P CA -0.906 62.142 63.100 -0.086 0.000 0.775 290 P CB -0.151 31.495 31.700 -0.089 0.000 0.854 291 P HA 0.115 nan 4.420 nan 0.000 0.274 291 P C -0.085 177.162 177.300 -0.087 0.000 1.231 291 P CA -0.139 62.899 63.100 -0.103 0.000 0.790 291 P CB 0.671 32.289 31.700 -0.136 0.000 0.951 292 G N 2.193 110.953 108.800 -0.066 0.000 2.380 292 G HA2 0.488 4.449 3.960 0.002 0.000 0.262 292 G HA3 0.488 4.449 3.960 0.002 0.000 0.262 292 G C -0.607 174.258 174.900 -0.058 0.000 1.243 292 G CA -0.430 44.647 45.100 -0.039 0.000 0.865 292 G HN 0.417 nan 8.290 nan 0.000 0.513 293 L N 1.143 122.344 121.223 -0.036 0.000 2.388 293 L HA 0.778 5.119 4.340 0.002 0.000 0.264 293 L C 0.229 177.135 176.870 0.061 0.000 0.998 293 L CA -0.737 54.090 54.840 -0.020 0.000 0.817 293 L CB 2.785 44.788 42.059 -0.093 0.000 1.338 293 L HN 0.671 nan 8.230 nan 0.000 0.414 294 T N 1.110 115.718 114.554 0.091 0.000 2.665 294 T HA 0.641 4.992 4.350 0.002 0.000 0.303 294 T C -1.833 172.866 174.700 -0.002 0.000 1.334 294 T CA -0.409 61.697 62.100 0.010 0.000 1.011 294 T CB 1.335 70.089 68.868 -0.191 0.000 1.573 294 T HN 0.352 nan 8.240 nan 0.000 0.492 295 L N 1.919 123.033 121.223 -0.182 0.000 2.346 295 L HA 0.677 5.018 4.340 0.002 0.000 0.274 295 L C -0.986 175.751 176.870 -0.222 0.000 1.007 295 L CA -1.111 53.582 54.840 -0.245 0.000 0.818 295 L CB 1.876 43.761 42.059 -0.290 0.000 1.284 295 L HN 0.476 nan 8.230 nan 0.000 0.424 296 L N 3.769 124.926 121.223 -0.110 0.000 2.259 296 L HA 0.308 4.649 4.340 0.002 0.000 0.288 296 L C -0.032 176.898 176.870 0.100 0.000 1.051 296 L CA 0.282 55.139 54.840 0.029 0.000 0.824 296 L CB 0.526 42.646 42.059 0.101 0.000 1.206 296 L HN 0.540 nan 8.230 nan 0.000 0.429 297 N N 4.194 122.926 118.700 0.055 0.000 2.462 297 N HA 0.082 4.824 4.740 0.002 0.000 0.242 297 N C -1.229 174.413 175.510 0.221 0.000 1.010 297 N CA -0.581 52.531 53.050 0.103 0.000 0.939 297 N CB 0.419 38.940 38.487 0.057 0.000 1.127 297 N HN 0.451 nan 8.380 nan 0.000 0.509 298 Y N 3.846 124.171 120.300 0.043 0.000 2.531 298 Y HA 0.141 4.692 4.550 0.002 0.000 0.347 298 Y C 0.593 176.524 175.900 0.052 0.000 1.024 298 Y CA -0.220 57.923 58.100 0.072 0.000 1.306 298 Y CB 0.398 38.922 38.460 0.106 0.000 1.149 298 Y HN 0.344 nan 8.280 nan 0.000 0.527 299 L N 7.237 128.541 121.223 0.134 0.000 2.453 299 L HA 0.114 4.455 4.340 0.002 0.000 0.272 299 L C -1.171 175.751 176.870 0.087 0.000 1.182 299 L CA -1.236 53.654 54.840 0.084 0.000 0.858 299 L CB 0.634 42.716 42.059 0.037 0.000 1.120 299 L HN 0.497 nan 8.230 nan 0.000 0.474 300 P HA 0.057 nan 4.420 nan 0.000 0.261 300 P C -0.429 176.889 177.300 0.030 0.000 1.352 300 P CA -0.206 62.914 63.100 0.034 0.000 0.891 300 P CB 0.194 31.907 31.700 0.021 0.000 1.383 301 N N 0.944 119.671 118.700 0.045 0.000 2.454 301 N HA -0.017 4.724 4.740 0.002 0.000 0.254 301 N C 0.394 175.908 175.510 0.005 0.000 1.228 301 N CA 0.469 53.528 53.050 0.015 0.000 0.900 301 N CB 0.509 38.995 38.487 -0.001 0.000 1.089 301 N HN 0.053 nan 8.380 nan 0.000 0.449 302 S N 0.745 116.437 115.700 -0.014 0.000 2.552 302 S HA -0.035 4.436 4.470 0.002 0.000 0.289 302 S C 1.443 176.027 174.600 -0.027 0.000 1.304 302 S CA -0.523 57.666 58.200 -0.017 0.000 1.063 302 S CB 0.647 63.831 63.200 -0.027 0.000 0.848 302 S HN 0.401 nan 8.310 nan 0.000 0.499 303 V N 4.689 124.597 119.914 -0.011 0.000 2.913 303 V HA -0.054 4.067 4.120 0.002 0.000 0.260 303 V C 1.912 177.966 176.094 -0.068 0.000 1.098 303 V CA 2.266 64.549 62.300 -0.028 0.000 1.121 303 V CB -0.597 31.239 31.823 0.022 0.000 0.714 303 V HN 1.004 nan 8.190 nan 0.000 0.487 304 S N -1.098 114.570 115.700 -0.053 0.000 2.650 304 S HA 0.075 4.546 4.470 0.002 0.000 0.219 304 S C 0.942 175.493 174.600 -0.080 0.000 0.960 304 S CA -0.029 58.135 58.200 -0.061 0.000 0.925 304 S CB -0.322 62.855 63.200 -0.039 0.000 0.775 304 S HN 0.608 nan 8.310 nan 0.000 0.525 305 K N 1.671 122.013 120.400 -0.097 0.000 2.250 305 K HA 0.291 4.612 4.320 0.002 0.000 0.285 305 K C -0.920 175.577 176.600 -0.171 0.000 1.097 305 K CA -0.601 55.618 56.287 -0.113 0.000 0.913 305 K CB 0.104 32.542 32.500 -0.104 0.000 1.179 305 K HN 0.127 nan 8.250 nan 0.000 0.462 306 L N 6.059 127.190 121.223 -0.152 0.000 2.436 306 L HA 0.299 4.640 4.340 0.002 0.000 0.265 306 L C -2.017 174.741 176.870 -0.187 0.000 1.168 306 L CA -1.840 52.887 54.840 -0.189 0.000 0.815 306 L CB 0.371 42.389 42.059 -0.069 0.000 1.109 306 L HN 0.590 nan 8.230 nan 0.000 0.462 307 P HA 0.107 nan 4.420 nan 0.000 0.269 307 P C 0.482 177.812 177.300 0.049 0.000 1.215 307 P CA -0.082 62.884 63.100 -0.224 0.000 0.780 307 P CB 0.379 31.839 31.700 -0.400 0.000 0.898 308 T N -2.289 112.254 114.554 -0.018 0.000 2.915 308 T HA -0.013 4.338 4.350 0.002 0.000 0.269 308 T C 0.810 175.585 174.700 0.126 0.000 1.071 308 T CA 0.792 62.926 62.100 0.058 0.000 1.132 308 T CB -0.250 68.612 68.868 -0.010 0.000 0.878 308 T HN 0.259 nan 8.240 nan 0.000 0.479 309 S N 2.295 118.041 115.700 0.076 0.000 2.651 309 S HA 0.533 5.004 4.470 0.002 0.000 0.291 309 S C -2.532 171.927 174.600 -0.234 0.000 1.141 309 S CA -1.370 56.824 58.200 -0.009 0.000 1.027 309 S CB 1.440 64.645 63.200 0.009 0.000 1.043 309 S HN 0.132 nan 8.310 nan 0.000 0.530 310 P HA 0.149 nan 4.420 nan 0.000 0.270 310 P C -2.556 174.417 177.300 -0.544 0.000 1.221 310 P CA -0.819 61.711 63.100 -0.950 0.000 0.788 310 P CB -0.575 30.771 31.700 -0.590 0.000 0.904 311 P HA 0.061 nan 4.420 nan 0.000 0.267 311 P C -2.129 174.990 177.300 -0.301 0.000 1.200 311 P CA -0.685 62.054 63.100 -0.601 0.000 0.772 311 P CB -1.100 30.137 31.700 -0.772 0.000 0.855 312 P HA -0.020 nan 4.420 nan 0.000 0.263 312 P C -0.365 176.833 177.300 -0.170 0.000 1.195 312 P CA 0.118 63.129 63.100 -0.148 0.000 0.762 312 P CB 0.356 31.983 31.700 -0.121 0.000 0.799 313 Q N 2.854 122.567 119.800 -0.145 0.000 2.289 313 Q HA 0.096 4.437 4.340 0.002 0.000 0.273 313 Q C -0.436 175.492 176.000 -0.120 0.000 1.029 313 Q CA 0.507 56.230 55.803 -0.133 0.000 0.896 313 Q CB -0.189 28.483 28.738 -0.109 0.000 1.182 313 Q HN 0.380 nan 8.270 nan 0.000 0.385 314 T N 7.467 121.950 114.554 -0.118 0.000 2.916 314 T HA 0.212 4.563 4.350 0.002 0.000 0.303 314 T C -2.091 172.556 174.700 -0.089 0.000 1.025 314 T CA -0.849 61.187 62.100 -0.106 0.000 1.142 314 T CB 0.274 69.083 68.868 -0.097 0.000 0.947 314 T HN 0.583 nan 8.240 nan 0.000 0.544 315 P HA 0.181 nan 4.420 nan 0.000 0.266 315 P C -0.522 176.725 177.300 -0.088 0.000 1.193 315 P CA -0.328 62.716 63.100 -0.093 0.000 0.770 315 P CB 0.262 31.901 31.700 -0.101 0.000 0.836 316 A N 4.627 127.378 122.820 -0.114 0.000 2.563 316 A HA -0.072 4.249 4.320 0.002 0.000 0.256 316 A C 1.563 179.023 177.584 -0.206 0.000 1.056 316 A CA -0.232 51.715 52.037 -0.149 0.000 0.775 316 A CB -0.723 18.146 19.000 -0.217 0.000 0.973 316 A HN 0.910 nan 8.150 nan 0.000 0.516 317 W N 3.662 124.849 121.300 -0.188 0.000 2.321 317 W HA -0.236 4.424 4.660 0.001 0.000 0.285 317 W C -0.068 176.256 176.519 -0.324 0.000 1.213 317 W CA 1.550 58.777 57.345 -0.197 0.000 1.205 317 W CB -0.459 28.911 29.460 -0.150 0.000 1.134 317 W HN 0.770 nan 8.180 nan 0.000 0.549 318 D N -0.341 119.305 120.400 -1.257 0.000 2.462 318 D HA -0.004 4.637 4.640 0.002 0.000 0.221 318 D C -0.217 175.427 176.300 -1.093 0.000 1.173 318 D CA -0.234 52.848 54.000 -1.531 0.000 0.831 318 D CB -0.873 38.828 40.800 -1.832 0.000 1.001 318 D HN -0.091 nan 8.370 nan 0.000 0.499 319 D N 0.414 120.355 120.400 -0.764 0.000 2.522 319 D HA 0.047 4.688 4.640 0.002 0.000 0.218 319 D C 0.233 176.284 176.300 -0.414 0.000 1.149 319 D CA -0.549 53.181 54.000 -0.451 0.000 0.981 319 D CB -0.329 40.294 40.800 -0.296 0.000 1.041 319 D HN -0.055 nan 8.370 nan 0.000 0.518 320 F N 0.737 120.638 119.950 -0.081 0.000 2.293 320 F HA -0.093 4.435 4.527 0.002 0.000 0.300 320 F C 2.104 177.784 175.800 -0.200 0.000 1.086 320 F CA 0.497 58.467 58.000 -0.050 0.000 1.375 320 F CB 0.005 39.011 39.000 0.010 0.000 1.045 320 F HN 0.247 nan 8.300 nan 0.000 0.516 321 D N -0.159 120.207 120.400 -0.057 0.000 2.144 321 D HA -0.157 4.484 4.640 0.002 0.000 0.199 321 D C 2.400 178.598 176.300 -0.171 0.000 0.984 321 D CA 0.849 54.758 54.000 -0.152 0.000 0.834 321 D CB -0.314 40.422 40.800 -0.106 0.000 0.955 321 D HN 0.219 nan 8.370 nan 0.000 0.465 322 R N 0.653 121.080 120.500 -0.122 0.000 2.092 322 R HA -0.056 4.285 4.340 0.002 0.000 0.231 322 R C 2.127 178.407 176.300 -0.034 0.000 1.119 322 R CA 0.999 57.049 56.100 -0.083 0.000 0.970 322 R CB 0.114 30.363 30.300 -0.084 0.000 0.864 322 R HN 0.005 nan 8.270 nan 0.000 0.440 323 S N 0.830 116.526 115.700 -0.007 0.000 2.368 323 S HA -0.080 4.391 4.470 0.002 0.000 0.224 323 S C 1.658 176.302 174.600 0.074 0.000 1.029 323 S CA 1.211 59.514 58.200 0.171 0.000 0.988 323 S CB -0.031 63.412 63.200 0.405 0.000 0.838 323 S HN 0.365 nan 8.310 nan 0.000 0.462 324 K N 1.377 121.538 120.400 -0.398 0.000 2.148 324 K HA -0.009 4.312 4.320 0.002 0.000 0.204 324 K C 1.976 178.134 176.600 -0.738 0.000 1.050 324 K CA 1.083 56.811 56.287 -0.932 0.000 0.942 324 K CB -0.217 31.452 32.500 -1.386 0.000 0.724 324 K HN 0.297 nan 8.250 nan 0.000 0.446 325 N N 0.084 118.549 118.700 -0.391 0.000 2.149 325 N HA -0.189 4.552 4.740 0.002 0.000 0.188 325 N C 1.570 177.047 175.510 -0.055 0.000 1.019 325 N CA 0.923 53.847 53.050 -0.209 0.000 0.857 325 N CB -0.028 38.397 38.487 -0.104 0.000 0.997 325 N HN 0.109 nan 8.380 nan 0.000 0.426 326 F N 0.950 120.866 119.950 -0.057 0.000 2.053 326 F HA -0.052 4.476 4.527 0.002 0.000 0.292 326 F C 2.308 178.166 175.800 0.097 0.000 1.125 326 F CA 1.431 59.467 58.000 0.060 0.000 1.193 326 F CB -1.011 38.053 39.000 0.107 0.000 0.996 326 F HN -0.065 nan 8.300 nan 0.000 0.470 327 T N 0.012 114.585 114.554 0.032 0.000 2.737 327 T HA -0.244 4.107 4.350 0.002 0.000 0.269 327 T C 1.673 176.408 174.700 0.058 0.000 1.040 327 T CA 1.808 63.937 62.100 0.048 0.000 1.142 327 T CB -0.623 68.434 68.868 0.315 0.000 0.861 327 T HN 0.279 nan 8.240 nan 0.000 0.456 328 Y N 0.920 121.084 120.300 -0.227 0.000 2.457 328 Y HA 0.194 4.745 4.550 0.002 0.000 0.292 328 Y C 2.358 178.164 175.900 -0.157 0.000 1.125 328 Y CA -0.339 57.672 58.100 -0.148 0.000 1.254 328 Y CB -0.526 37.853 38.460 -0.134 0.000 1.012 328 Y HN 0.105 nan 8.280 nan 0.000 0.555 329 R N 0.479 120.888 120.500 -0.151 0.000 2.323 329 R HA 0.072 4.413 4.340 0.002 0.000 0.198 329 R C -0.169 175.838 176.300 -0.488 0.000 0.988 329 R CA 0.104 55.976 56.100 -0.381 0.000 1.041 329 R CB -0.335 29.618 30.300 -0.579 0.000 0.926 329 R HN 0.152 nan 8.270 nan 0.000 0.476 330 I N 2.046 122.467 120.570 -0.248 0.000 2.337 330 I HA 0.086 4.257 4.170 0.002 0.000 0.291 330 I C 0.047 176.192 176.117 0.046 0.000 1.046 330 I CA -0.151 61.111 61.300 -0.063 0.000 1.324 330 I CB 1.458 39.517 38.000 0.098 0.000 1.409 330 I HN 0.081 nan 8.210 nan 0.000 0.494 331 T N 2.665 117.258 114.554 0.066 0.000 2.916 331 T HA 0.766 5.117 4.350 0.002 0.000 0.292 331 T C -0.184 174.600 174.700 0.140 0.000 1.055 331 T CA -1.012 61.147 62.100 0.098 0.000 1.009 331 T CB 1.792 70.694 68.868 0.057 0.000 1.118 331 T HN 0.554 nan 8.240 nan 0.000 0.497 332 A N 1.247 124.160 122.820 0.154 0.000 2.445 332 A HA 0.663 4.984 4.320 0.002 0.000 0.242 332 A C 0.943 178.623 177.584 0.160 0.000 1.075 332 A CA -0.254 51.887 52.037 0.174 0.000 0.777 332 A CB -0.706 18.413 19.000 0.198 0.000 1.013 332 A HN 1.544 nan 8.150 nan 0.000 0.493 333 A N 2.646 125.576 122.820 0.183 0.000 2.531 333 A HA 0.375 4.696 4.320 0.002 0.000 0.236 333 A C 0.692 178.358 177.584 0.136 0.000 1.062 333 A CA -0.050 52.089 52.037 0.170 0.000 0.760 333 A CB -0.260 18.869 19.000 0.215 0.000 0.995 333 A HN 1.107 nan 8.150 nan 0.000 0.501 334 M N 2.807 122.471 119.600 0.106 0.000 2.408 334 M HA 0.303 4.784 4.480 0.002 0.000 0.363 334 M C 1.217 177.567 176.300 0.084 0.000 1.636 334 M CA 2.167 57.517 55.300 0.084 0.000 1.029 334 M CB -0.423 32.218 32.600 0.068 0.000 2.068 334 M HN 1.569 nan 8.290 nan 0.000 0.466 335 G N 2.470 111.320 108.800 0.084 0.000 2.184 335 G HA2 -0.186 3.775 3.960 0.002 0.000 0.206 335 G HA3 -0.186 3.775 3.960 0.002 0.000 0.206 335 G C 0.051 175.017 174.900 0.110 0.000 0.995 335 G CA 0.081 45.231 45.100 0.083 0.000 0.651 335 G HN 0.691 nan 8.290 nan 0.000 0.511 336 S N 1.432 117.215 115.700 0.137 0.000 2.600 336 S HA 0.526 4.997 4.470 0.002 0.000 0.265 336 S C -1.837 172.873 174.600 0.184 0.000 1.325 336 S CA -0.549 57.755 58.200 0.173 0.000 1.002 336 S CB 0.866 64.186 63.200 0.201 0.000 0.921 336 S HN 0.255 nan 8.310 nan 0.000 0.554 337 P HA 0.163 nan 4.420 nan 0.000 0.264 337 P C -0.575 176.929 177.300 0.339 0.000 1.193 337 P CA 0.148 63.428 63.100 0.300 0.000 0.763 337 P CB 0.359 32.290 31.700 0.386 0.000 0.810 338 K N 4.452 124.904 120.400 0.087 0.000 2.110 338 K HA 0.383 4.704 4.320 0.002 0.000 0.263 338 K C -2.089 174.132 176.600 -0.631 0.000 0.975 338 K CA -1.913 54.263 56.287 -0.185 0.000 0.895 338 K CB 0.517 32.941 32.500 -0.126 0.000 1.060 338 K HN 0.386 nan 8.250 nan 0.000 0.448 339 P HA 0.075 nan 4.420 nan 0.000 0.271 339 P C -2.568 174.349 177.300 -0.638 0.000 1.233 339 P CA -1.028 61.189 63.100 -1.471 0.000 0.789 339 P CB -0.575 30.464 31.700 -1.102 0.000 0.951 340 P HA -0.060 nan 4.420 nan 0.000 0.267 340 P C 1.155 178.343 177.300 -0.187 0.000 1.200 340 P CA 0.009 62.986 63.100 -0.205 0.000 0.772 340 P CB 0.145 31.774 31.700 -0.118 0.000 0.855 341 V N 0.116 119.951 119.914 -0.131 0.000 2.535 341 V HA -0.024 4.097 4.120 0.002 0.000 0.246 341 V C 0.695 176.747 176.094 -0.070 0.000 1.045 341 V CA 1.195 63.435 62.300 -0.100 0.000 1.058 341 V CB -1.349 30.423 31.823 -0.085 0.000 0.689 341 V HN 0.481 nan 8.190 nan 0.000 0.461 342 K N 2.001 122.343 120.400 -0.096 0.000 2.098 342 K HA 0.605 4.926 4.320 0.002 0.000 0.258 342 K C -0.505 176.030 176.600 -0.109 0.000 0.973 342 K CA -0.646 55.547 56.287 -0.156 0.000 0.898 342 K CB 1.001 33.374 32.500 -0.213 0.000 1.057 342 K HN 0.412 nan 8.250 nan 0.000 0.447 343 F N -0.514 119.375 119.950 -0.102 0.000 2.497 343 F HA 0.538 5.066 4.527 0.002 0.000 0.331 343 F C 0.015 175.747 175.800 -0.113 0.000 1.060 343 F CA -1.012 56.909 58.000 -0.132 0.000 0.989 343 F CB 1.424 40.331 39.000 -0.155 0.000 1.245 343 F HN 0.592 nan 8.300 nan 0.000 0.486 344 N N -0.728 118.021 118.700 0.081 0.000 2.273 344 N HA 0.184 4.925 4.740 0.002 0.000 0.192 344 N C -0.619 174.962 175.510 0.120 0.000 1.132 344 N CA -0.371 52.686 53.050 0.013 0.000 0.887 344 N CB 0.589 39.058 38.487 -0.030 0.000 1.048 344 N HN 0.590 nan 8.380 nan 0.000 0.490 345 R N 0.618 121.219 120.500 0.168 0.000 2.626 345 R HA 0.425 4.767 4.340 0.002 0.000 0.274 345 R C -1.889 174.364 176.300 -0.077 0.000 1.031 345 R CA -0.779 55.374 56.100 0.087 0.000 0.898 345 R CB 1.481 31.781 30.300 -0.001 0.000 1.222 345 R HN -0.073 nan 8.270 nan 0.000 0.455 346 R N 4.782 125.178 120.500 -0.174 0.000 2.532 346 R HA 0.539 4.880 4.340 0.002 0.000 0.297 346 R C -1.278 174.798 176.300 -0.374 0.000 0.984 346 R CA -0.526 55.266 56.100 -0.515 0.000 0.884 346 R CB 1.195 31.029 30.300 -0.776 0.000 1.182 346 R HN 0.643 nan 8.270 nan 0.000 0.442 347 I N 4.225 124.501 120.570 -0.490 0.000 2.646 347 I HA 0.444 4.616 4.170 0.002 0.000 0.299 347 I C -1.044 174.757 176.117 -0.526 0.000 1.036 347 I CA -0.961 60.173 61.300 -0.277 0.000 1.074 347 I CB 1.902 39.801 38.000 -0.167 0.000 1.258 347 I HN 0.498 nan 8.210 nan 0.000 0.430 348 F N 5.666 125.625 119.950 0.016 0.000 2.467 348 F HA 0.561 5.089 4.527 0.003 0.000 0.336 348 F C -0.442 175.473 175.800 0.192 0.000 1.123 348 F CA -0.574 57.493 58.000 0.112 0.000 0.964 348 F CB 1.376 40.480 39.000 0.172 0.000 1.136 348 F HN 0.036 nan 8.300 nan 0.000 0.447 349 L N 5.262 126.589 121.223 0.173 0.000 2.372 349 L HA 0.477 4.818 4.340 0.002 0.000 0.273 349 L C -1.020 175.757 176.870 -0.154 0.000 0.989 349 L CA -0.907 53.943 54.840 0.017 0.000 0.841 349 L CB 1.842 43.810 42.059 -0.152 0.000 1.225 349 L HN 0.455 nan 8.230 nan 0.000 0.414 350 L N 4.363 125.413 121.223 -0.288 0.000 2.276 350 L HA 0.369 4.710 4.340 0.002 0.000 0.286 350 L C -0.177 176.535 176.870 -0.263 0.000 1.061 350 L CA 0.290 54.797 54.840 -0.555 0.000 0.807 350 L CB 0.759 42.213 42.059 -1.009 0.000 1.177 350 L HN 0.498 nan 8.230 nan 0.000 0.429 351 N N 3.876 122.475 118.700 -0.169 0.000 2.439 351 N HA 0.396 5.137 4.740 0.002 0.000 0.249 351 N C -0.957 174.584 175.510 0.051 0.000 1.003 351 N CA -0.231 52.819 53.050 -0.000 0.000 0.942 351 N CB 1.036 39.543 38.487 0.033 0.000 1.115 351 N HN 0.747 nan 8.380 nan 0.000 0.505 352 T N -1.041 113.554 114.554 0.070 0.000 2.906 352 T HA 0.259 4.610 4.350 0.002 0.000 0.295 352 T C -0.523 174.063 174.700 -0.191 0.000 1.061 352 T CA -0.912 61.184 62.100 -0.008 0.000 1.000 352 T CB 2.500 71.327 68.868 -0.068 0.000 1.103 352 T HN 0.339 nan 8.240 nan 0.000 0.486 353 Q N 1.234 120.656 119.800 -0.629 0.000 2.243 353 Q HA 0.501 4.842 4.340 0.002 0.000 0.252 353 Q C -1.000 174.692 176.000 -0.514 0.000 0.909 353 Q CA -0.442 54.666 55.803 -1.159 0.000 0.922 353 Q CB 0.687 28.565 28.738 -1.434 0.000 1.215 353 Q HN 0.758 nan 8.270 nan 0.000 0.427 354 N N 0.930 119.377 118.700 -0.421 0.000 2.571 354 N HA 0.545 5.286 4.740 0.002 0.000 0.273 354 N C -1.894 173.524 175.510 -0.154 0.000 1.340 354 N CA -0.640 52.289 53.050 -0.201 0.000 0.789 354 N CB 2.343 40.762 38.487 -0.114 0.000 1.514 354 N HN 0.257 nan 8.380 nan 0.000 0.499 355 V N 1.775 121.642 119.914 -0.077 0.000 2.340 355 V HA 0.428 4.549 4.120 0.002 0.000 0.277 355 V C -0.849 175.246 176.094 0.003 0.000 1.017 355 V CA -0.438 61.838 62.300 -0.040 0.000 0.820 355 V CB 0.263 32.058 31.823 -0.047 0.000 1.028 355 V HN 0.499 nan 8.190 nan 0.000 0.436 356 I N 3.602 124.200 120.570 0.046 0.000 2.321 356 I HA 0.393 4.564 4.170 0.002 0.000 0.291 356 I C 0.888 177.088 176.117 0.139 0.000 0.998 356 I CA -0.638 60.705 61.300 0.072 0.000 1.227 356 I CB 0.961 39.002 38.000 0.067 0.000 1.368 356 I HN 0.674 nan 8.210 nan 0.000 0.466 357 N N 4.920 123.677 118.700 0.095 0.000 2.708 357 N HA -0.242 4.499 4.740 0.002 0.000 0.251 357 N C 0.845 176.360 175.510 0.009 0.000 1.017 357 N CA 1.245 54.349 53.050 0.091 0.000 0.742 357 N CB -0.504 38.080 38.487 0.161 0.000 0.943 357 N HN 1.141 nan 8.380 nan 0.000 0.539 358 G N -2.495 106.268 108.800 -0.061 0.000 2.317 358 G HA2 -0.348 3.613 3.960 0.002 0.000 0.227 358 G HA3 -0.348 3.613 3.960 0.002 0.000 0.227 358 G C -0.066 174.689 174.900 -0.243 0.000 1.042 358 G CA 0.205 45.182 45.100 -0.204 0.000 0.623 358 G HN 0.410 nan 8.290 nan 0.000 0.509 359 Y N 1.039 121.333 120.300 -0.009 0.000 2.309 359 Y HA 0.508 5.059 4.550 0.001 0.000 0.327 359 Y C 0.982 176.865 175.900 -0.027 0.000 1.172 359 Y CA -0.530 57.565 58.100 -0.007 0.000 1.280 359 Y CB 1.451 39.910 38.460 -0.001 0.000 1.234 359 Y HN 0.100 nan 8.280 nan 0.000 0.512 360 V N 5.324 125.304 119.914 0.110 0.000 2.461 360 V HA 0.265 4.386 4.120 0.002 0.000 0.275 360 V C -0.001 176.098 176.094 0.008 0.000 1.047 360 V CA -0.720 61.579 62.300 -0.001 0.000 0.955 360 V CB 0.378 32.178 31.823 -0.038 0.000 0.988 360 V HN 0.674 nan 8.190 nan 0.000 0.471 361 K N 3.077 123.434 120.400 -0.071 0.000 2.444 361 K HA 0.485 4.806 4.320 0.002 0.000 0.252 361 K C -1.537 174.969 176.600 -0.158 0.000 0.993 361 K CA -0.742 55.530 56.287 -0.026 0.000 0.847 361 K CB 2.481 34.990 32.500 0.015 0.000 1.340 361 K HN 0.501 nan 8.250 nan 0.000 0.446 362 W N 0.484 121.752 121.300 -0.053 0.000 2.496 362 W HA 0.565 5.227 4.660 0.003 0.000 0.327 362 W C -0.148 176.340 176.519 -0.052 0.000 1.086 362 W CA -0.160 57.132 57.345 -0.089 0.000 1.222 362 W CB 1.841 31.205 29.460 -0.161 0.000 1.304 362 W HN 0.656 nan 8.180 nan 0.000 0.547 363 A N 3.761 126.667 122.820 0.144 0.000 2.423 363 A HA 0.858 5.179 4.320 0.002 0.000 0.304 363 A C -1.548 176.104 177.584 0.113 0.000 1.104 363 A CA -0.690 51.408 52.037 0.101 0.000 0.757 363 A CB 1.152 20.175 19.000 0.037 0.000 1.313 363 A HN 0.433 nan 8.150 nan 0.000 0.423 364 I N 2.031 122.669 120.570 0.115 0.000 2.410 364 I HA 0.286 4.457 4.170 0.002 0.000 0.286 364 I C -0.257 175.918 176.117 0.096 0.000 1.009 364 I CA -0.506 60.864 61.300 0.116 0.000 1.111 364 I CB 0.700 38.818 38.000 0.197 0.000 1.262 364 I HN 0.738 nan 8.210 nan 0.000 0.443 365 N N 4.526 123.249 118.700 0.039 0.000 2.708 365 N HA -0.240 4.501 4.740 0.002 0.000 0.251 365 N C 0.166 175.714 175.510 0.063 0.000 1.017 365 N CA 1.165 54.254 53.050 0.065 0.000 0.742 365 N CB -0.834 37.755 38.487 0.170 0.000 0.943 365 N HN 0.654 nan 8.380 nan 0.000 0.539 366 D N -2.999 117.416 120.400 0.025 0.000 3.076 366 D HA -0.164 4.477 4.640 0.002 0.000 0.218 366 D C -0.789 175.542 176.300 0.050 0.000 1.156 366 D CA 1.112 55.132 54.000 0.033 0.000 0.921 366 D CB -0.952 39.872 40.800 0.041 0.000 1.113 366 D HN 0.311 nan 8.370 nan 0.000 0.418 367 V N 0.424 120.379 119.914 0.069 0.000 2.409 367 V HA 0.511 4.632 4.120 0.002 0.000 0.291 367 V C 0.339 176.481 176.094 0.080 0.000 1.020 367 V CA -0.656 61.688 62.300 0.072 0.000 0.848 367 V CB 2.023 33.896 31.823 0.085 0.000 0.990 367 V HN 0.098 nan 8.190 nan 0.000 0.430 368 S N 4.727 120.465 115.700 0.063 0.000 2.429 368 S HA 0.565 5.036 4.470 0.002 0.000 0.302 368 S C -0.580 174.051 174.600 0.053 0.000 1.115 368 S CA -0.542 57.696 58.200 0.062 0.000 1.095 368 S CB 0.732 63.958 63.200 0.042 0.000 0.987 368 S HN 0.603 nan 8.310 nan 0.000 0.474 369 L N 5.491 126.750 121.223 0.060 0.000 2.462 369 L HA 0.555 4.896 4.340 0.002 0.000 0.272 369 L C 0.016 176.899 176.870 0.022 0.000 1.166 369 L CA 0.518 55.393 54.840 0.058 0.000 0.880 369 L CB 0.536 42.634 42.059 0.065 0.000 1.142 369 L HN 0.729 nan 8.230 nan 0.000 0.473 370 A N 6.658 129.493 122.820 0.025 0.000 2.310 370 A HA 0.566 4.887 4.320 0.002 0.000 0.304 370 A C -0.727 176.859 177.584 0.004 0.000 1.231 370 A CA -0.640 51.390 52.037 -0.011 0.000 0.799 370 A CB 0.385 19.372 19.000 -0.022 0.000 1.162 370 A HN 0.693 nan 8.150 nan 0.000 0.486 371 L N 4.494 125.707 121.223 -0.017 0.000 2.416 371 L HA 0.313 4.654 4.340 0.002 0.000 0.272 371 L C -1.478 175.330 176.870 -0.103 0.000 1.161 371 L CA -1.279 53.536 54.840 -0.042 0.000 0.845 371 L CB 0.725 42.760 42.059 -0.039 0.000 1.119 371 L HN 0.560 nan 8.230 nan 0.000 0.464 372 P HA 0.210 nan 4.420 nan 0.000 0.276 372 P C -2.294 174.911 177.300 -0.159 0.000 1.244 372 P CA -1.529 61.463 63.100 -0.180 0.000 0.801 372 P CB 0.535 32.079 31.700 -0.260 0.000 1.006 373 P HA -0.038 nan 4.420 nan 0.000 0.226 373 P C 0.231 177.479 177.300 -0.086 0.000 1.153 373 P CA 0.933 63.987 63.100 -0.077 0.000 0.777 373 P CB 0.006 31.678 31.700 -0.046 0.000 0.794 374 T N 3.897 118.387 114.554 -0.106 0.000 2.771 374 T HA 0.280 4.631 4.350 0.002 0.000 0.291 374 T C -2.450 172.146 174.700 -0.174 0.000 0.954 374 T CA -1.463 60.584 62.100 -0.088 0.000 1.045 374 T CB 0.981 69.835 68.868 -0.023 0.000 0.917 374 T HN 0.071 nan 8.240 nan 0.000 0.484 375 P HA 0.042 nan 4.420 nan 0.000 0.266 375 P C 0.140 177.387 177.300 -0.088 0.000 1.215 375 P CA -0.158 62.877 63.100 -0.109 0.000 0.763 375 P CB 0.547 32.233 31.700 -0.024 0.000 0.806 376 Y N 3.156 123.376 120.300 -0.132 0.000 2.102 376 Y HA -0.242 4.309 4.550 0.001 0.000 0.280 376 Y C 2.475 178.313 175.900 -0.104 0.000 1.178 376 Y CA 1.588 59.552 58.100 -0.226 0.000 1.146 376 Y CB -1.246 37.005 38.460 -0.348 0.000 0.968 376 Y HN 0.233 nan 8.280 nan 0.000 0.504 377 L N 0.039 121.313 121.223 0.086 0.000 2.012 377 L HA -0.116 4.225 4.340 0.002 0.000 0.210 377 L C 2.433 179.368 176.870 0.108 0.000 1.073 377 L CA 2.314 57.186 54.840 0.053 0.000 0.748 377 L CB -1.187 40.886 42.059 0.022 0.000 0.891 377 L HN 0.210 nan 8.230 nan 0.000 0.431 378 G N -1.308 107.575 108.800 0.139 0.000 2.402 378 G HA2 -0.221 3.740 3.960 0.002 0.000 0.216 378 G HA3 -0.221 3.740 3.960 0.002 0.000 0.216 378 G C 1.613 176.674 174.900 0.270 0.000 1.162 378 G CA 0.766 46.002 45.100 0.226 0.000 0.777 378 G HN 0.647 nan 8.290 nan 0.000 0.539 379 A N 0.640 123.586 122.820 0.210 0.000 1.908 379 A HA -0.013 4.308 4.320 0.002 0.000 0.218 379 A C 2.463 180.226 177.584 0.298 0.000 1.181 379 A CA 1.938 54.136 52.037 0.267 0.000 0.627 379 A CB -0.335 18.861 19.000 0.326 0.000 0.818 379 A HN 0.404 nan 8.150 nan 0.000 0.445 380 M N -1.343 118.414 119.600 0.261 0.000 2.236 380 M HA -0.036 4.445 4.480 0.002 0.000 0.266 380 M C 2.245 178.604 176.300 0.100 0.000 1.070 380 M CA 1.476 56.904 55.300 0.213 0.000 1.137 380 M CB -0.212 32.497 32.600 0.182 0.000 1.378 380 M HN 0.431 nan 8.290 nan 0.000 0.426 381 K N 0.314 120.739 120.400 0.041 0.000 2.097 381 K HA -0.163 4.158 4.320 0.002 0.000 0.206 381 K C 0.939 177.363 176.600 -0.293 0.000 1.049 381 K CA 1.517 57.714 56.287 -0.150 0.000 0.933 381 K CB 0.071 32.419 32.500 -0.254 0.000 0.717 381 K HN 0.283 nan 8.250 nan 0.000 0.442 382 Y N 0.551 120.894 120.300 0.072 0.000 2.470 382 Y HA 0.104 4.655 4.550 0.002 0.000 0.284 382 Y C 0.173 176.111 175.900 0.063 0.000 1.188 382 Y CA 0.043 58.179 58.100 0.060 0.000 1.269 382 Y CB -0.173 38.319 38.460 0.054 0.000 1.094 382 Y HN 0.239 nan 8.280 nan 0.000 0.518 383 N N 0.689 119.478 118.700 0.148 0.000 2.725 383 N HA -0.219 4.522 4.740 0.002 0.000 0.251 383 N C -1.307 174.273 175.510 0.117 0.000 1.031 383 N CA 0.198 53.315 53.050 0.110 0.000 0.720 383 N CB -1.186 37.343 38.487 0.070 0.000 0.930 383 N HN 0.346 nan 8.380 nan 0.000 0.543 384 L N 1.093 122.410 121.223 0.157 0.000 2.375 384 L HA 0.155 4.496 4.340 0.002 0.000 0.276 384 L C 1.258 178.171 176.870 0.073 0.000 1.162 384 L CA -0.348 54.581 54.840 0.149 0.000 0.991 384 L CB 0.172 42.336 42.059 0.176 0.000 1.315 384 L HN 0.313 nan 8.230 nan 0.000 0.431 385 L N 2.657 123.876 121.223 -0.008 0.000 2.693 385 L HA 0.001 4.342 4.340 0.002 0.000 0.242 385 L C 1.343 177.986 176.870 -0.378 0.000 1.157 385 L CA 0.255 54.958 54.840 -0.227 0.000 0.929 385 L CB -0.684 41.231 42.059 -0.241 0.000 1.103 385 L HN 0.699 nan 8.230 nan 0.000 0.430 386 H N -1.330 117.691 119.070 -0.082 0.000 3.058 386 H HA 0.282 4.839 4.556 0.002 0.000 0.266 386 H C 1.857 177.171 175.328 -0.024 0.000 1.135 386 H CA 0.565 56.577 56.048 -0.060 0.000 1.174 386 H CB 0.915 30.661 29.762 -0.026 0.000 1.581 386 H HN 0.315 nan 8.280 nan 0.000 0.553 387 A N 1.158 124.043 122.820 0.108 0.000 2.016 387 A HA 0.129 4.450 4.320 0.002 0.000 0.217 387 A C 0.552 178.295 177.584 0.264 0.000 1.162 387 A CA 0.728 52.876 52.037 0.186 0.000 0.662 387 A CB -0.220 18.938 19.000 0.263 0.000 0.812 387 A HN 0.292 nan 8.150 nan 0.000 0.450 388 F N -3.363 116.609 119.950 0.037 0.000 2.745 388 F HA 0.610 5.137 4.527 0.001 0.000 0.316 388 F C -1.219 174.611 175.800 0.051 0.000 1.155 388 F CA -2.138 55.895 58.000 0.055 0.000 0.937 388 F CB 0.248 39.336 39.000 0.147 0.000 1.361 388 F HN -0.169 nan 8.300 nan 0.000 0.472 389 D N 1.298 121.801 120.400 0.173 0.000 2.339 389 D HA 0.156 4.797 4.640 0.002 0.000 0.256 389 D C 0.628 176.866 176.300 -0.103 0.000 1.214 389 D CA 0.160 54.164 54.000 0.006 0.000 0.877 389 D CB 1.202 42.054 40.800 0.086 0.000 1.111 389 D HN 0.500 nan 8.370 nan 0.000 0.478 390 Q N 2.236 121.890 119.800 -0.243 0.000 2.311 390 Q HA 0.005 4.346 4.340 0.002 0.000 0.203 390 Q C -0.073 175.864 176.000 -0.105 0.000 0.954 390 Q CA 0.494 56.156 55.803 -0.235 0.000 0.885 390 Q CB -0.141 28.447 28.738 -0.250 0.000 0.963 390 Q HN 0.507 nan 8.270 nan 0.000 0.471 391 N N 3.468 122.126 118.700 -0.071 0.000 2.452 391 N HA 0.078 4.819 4.740 0.002 0.000 0.266 391 N C -2.316 173.162 175.510 -0.054 0.000 1.209 391 N CA -0.717 52.302 53.050 -0.052 0.000 0.929 391 N CB 0.474 38.939 38.487 -0.037 0.000 1.063 391 N HN 0.077 nan 8.380 nan 0.000 0.472 392 P HA 0.065 nan 4.420 nan 0.000 0.262 392 P C -2.267 174.942 177.300 -0.151 0.000 1.199 392 P CA -0.688 62.343 63.100 -0.114 0.000 0.763 392 P CB -0.216 31.435 31.700 -0.081 0.000 0.790 393 P HA 0.130 nan 4.420 nan 0.000 0.269 393 P C -2.352 174.844 177.300 -0.174 0.000 1.215 393 P CA -1.365 61.547 63.100 -0.313 0.000 0.780 393 P CB -0.769 30.576 31.700 -0.591 0.000 0.898 394 P HA 0.091 nan 4.420 nan 0.000 0.267 394 P C 0.122 177.600 177.300 0.297 0.000 1.209 394 P CA 0.317 63.497 63.100 0.133 0.000 0.763 394 P CB 0.752 32.528 31.700 0.127 0.000 0.816 395 E N 1.002 121.370 120.200 0.281 0.000 2.463 395 E HA 0.183 4.534 4.350 0.002 0.000 0.193 395 E C 0.067 176.859 176.600 0.319 0.000 1.041 395 E CA 0.014 56.618 56.400 0.341 0.000 0.879 395 E CB 0.512 30.379 29.700 0.278 0.000 0.997 395 E HN 0.286 nan 8.360 nan 0.000 0.478 396 V N 0.592 120.664 119.914 0.264 0.000 3.178 396 V HA 0.356 4.477 4.120 0.002 0.000 0.302 396 V C -0.743 175.473 176.094 0.203 0.000 1.262 396 V CA -1.298 61.119 62.300 0.195 0.000 1.030 396 V CB 1.408 33.216 31.823 -0.025 0.000 1.074 396 V HN 0.129 nan 8.190 nan 0.000 0.438 397 F N 0.611 120.587 119.950 0.043 0.000 2.497 397 F HA 1.004 5.531 4.527 0.001 0.000 0.331 397 F C -2.695 173.107 175.800 0.004 0.000 1.060 397 F CA -3.154 54.852 58.000 0.009 0.000 0.989 397 F CB -0.063 38.916 39.000 -0.036 0.000 1.245 397 F HN 0.259 nan 8.300 nan 0.000 0.486 398 P HA 0.172 nan 4.420 nan 0.000 0.275 398 P C -0.038 177.283 177.300 0.035 0.000 1.227 398 P CA -0.369 62.771 63.100 0.067 0.000 0.781 398 P CB 0.763 32.553 31.700 0.149 0.000 0.906 399 E N 1.571 121.734 120.200 -0.062 0.000 2.511 399 E HA -0.128 4.223 4.350 0.002 0.000 0.196 399 E C 0.160 176.781 176.600 0.036 0.000 1.066 399 E CA 0.522 56.887 56.400 -0.058 0.000 0.871 399 E CB -0.305 29.326 29.700 -0.115 0.000 0.863 399 E HN 0.500 nan 8.360 nan 0.000 0.520 400 D N 0.242 120.685 120.400 0.071 0.000 2.328 400 D HA -0.109 4.532 4.640 0.002 0.000 0.221 400 D C -0.151 176.217 176.300 0.113 0.000 1.072 400 D CA -0.504 53.538 54.000 0.070 0.000 0.850 400 D CB -0.409 40.417 40.800 0.044 0.000 0.922 400 D HN 0.184 nan 8.370 nan 0.000 0.516 401 Y N 2.081 122.449 120.300 0.114 0.000 2.402 401 Y HA 0.206 4.757 4.550 0.002 0.000 0.333 401 Y C -0.298 175.687 175.900 0.141 0.000 1.076 401 Y CA -0.522 57.666 58.100 0.146 0.000 1.299 401 Y CB 0.864 39.468 38.460 0.240 0.000 1.197 401 Y HN -0.245 nan 8.280 nan 0.000 0.517 402 D N 6.381 126.566 120.400 -0.357 0.000 2.396 402 D HA 0.091 4.732 4.640 0.002 0.000 0.225 402 D C 0.793 177.016 176.300 -0.129 0.000 1.121 402 D CA -0.355 53.553 54.000 -0.154 0.000 0.853 402 D CB 0.280 40.984 40.800 -0.160 0.000 1.043 402 D HN 0.642 nan 8.370 nan 0.000 0.500 403 I N -0.008 120.690 120.570 0.213 0.000 3.176 403 I HA 0.090 4.261 4.170 0.002 0.000 0.275 403 I C 0.366 176.662 176.117 0.298 0.000 1.298 403 I CA 0.470 61.981 61.300 0.352 0.000 1.445 403 I CB 0.168 38.395 38.000 0.378 0.000 1.075 403 I HN 0.069 nan 8.210 nan 0.000 0.482 404 D N 1.245 121.745 120.400 0.166 0.000 2.339 404 D HA 0.154 4.795 4.640 0.002 0.000 0.217 404 D C 0.260 176.632 176.300 0.120 0.000 1.050 404 D CA 0.471 54.555 54.000 0.140 0.000 0.856 404 D CB 0.638 41.443 40.800 0.008 0.000 0.922 404 D HN 0.313 nan 8.370 nan 0.000 0.518 405 T N 0.675 115.274 114.554 0.076 0.000 2.906 405 T HA 0.372 4.723 4.350 0.002 0.000 0.295 405 T C -2.638 172.080 174.700 0.030 0.000 1.061 405 T CA -1.414 60.705 62.100 0.033 0.000 1.000 405 T CB 2.668 71.519 68.868 -0.029 0.000 1.103 405 T HN -0.288 nan 8.240 nan 0.000 0.486 406 P HA 0.153 nan 4.420 nan 0.000 0.267 406 P C -2.411 174.898 177.300 0.016 0.000 1.201 406 P CA -0.725 62.389 63.100 0.023 0.000 0.775 406 P CB -0.276 31.428 31.700 0.008 0.000 0.854 407 P HA -0.010 nan 4.420 nan 0.000 0.270 407 P C 0.842 178.160 177.300 0.031 0.000 1.227 407 P CA 0.261 63.413 63.100 0.088 0.000 0.788 407 P CB 0.195 31.952 31.700 0.095 0.000 0.926 408 T N -3.516 111.064 114.554 0.043 0.000 3.037 408 T HA 0.032 4.383 4.350 0.002 0.000 0.252 408 T C 0.730 175.448 174.700 0.030 0.000 1.073 408 T CA 0.079 62.192 62.100 0.023 0.000 1.091 408 T CB -0.623 68.257 68.868 0.019 0.000 0.935 408 T HN 0.416 nan 8.240 nan 0.000 0.488 409 N N 1.050 119.779 118.700 0.049 0.000 2.863 409 N HA -0.225 4.516 4.740 0.002 0.000 0.245 409 N C 0.825 176.359 175.510 0.039 0.000 1.001 409 N CA 1.183 54.256 53.050 0.038 0.000 0.901 409 N CB -1.341 37.154 38.487 0.014 0.000 1.124 409 N HN 0.770 nan 8.380 nan 0.000 0.582 410 E N 0.889 121.116 120.200 0.045 0.000 2.147 410 E HA -0.171 4.180 4.350 0.002 0.000 0.199 410 E C 0.826 177.451 176.600 0.042 0.000 1.005 410 E CA 1.556 57.980 56.400 0.040 0.000 0.810 410 E CB 0.063 29.788 29.700 0.043 0.000 0.736 410 E HN 0.449 nan 8.360 nan 0.000 0.460 411 K N -0.261 120.170 120.400 0.053 0.000 2.469 411 K HA 0.139 4.460 4.320 0.002 0.000 0.204 411 K C -0.629 175.998 176.600 0.046 0.000 1.047 411 K CA -0.102 56.214 56.287 0.049 0.000 1.072 411 K CB 1.405 33.939 32.500 0.057 0.000 0.863 411 K HN -0.079 nan 8.250 nan 0.000 0.530 412 T N 3.392 117.971 114.554 0.043 0.000 2.799 412 T HA 0.120 4.471 4.350 0.002 0.000 0.296 412 T C 0.084 174.804 174.700 0.034 0.000 0.947 412 T CA -0.058 62.064 62.100 0.036 0.000 1.141 412 T CB 0.273 69.157 68.868 0.027 0.000 0.891 412 T HN 0.276 nan 8.240 nan 0.000 0.533 413 R N 2.700 123.221 120.500 0.036 0.000 2.832 413 R HA 0.734 5.075 4.340 0.002 0.000 0.271 413 R C -0.793 175.527 176.300 0.034 0.000 0.996 413 R CA -1.063 55.058 56.100 0.034 0.000 0.977 413 R CB 1.421 31.742 30.300 0.035 0.000 1.168 413 R HN 0.428 nan 8.270 nan 0.000 0.482 414 I N 0.637 121.223 120.570 0.028 0.000 2.499 414 I HA 0.535 4.706 4.170 0.002 0.000 0.296 414 I C 0.415 176.552 176.117 0.034 0.000 0.992 414 I CA -0.040 61.275 61.300 0.024 0.000 1.297 414 I CB 1.905 39.906 38.000 0.002 0.000 1.410 414 I HN 0.918 nan 8.210 nan 0.000 0.507 415 G N 3.079 111.906 108.800 0.046 0.000 2.663 415 G HA2 0.367 4.328 3.960 0.002 0.000 0.299 415 G HA3 0.367 4.328 3.960 0.002 0.000 0.299 415 G C -1.105 173.846 174.900 0.086 0.000 1.372 415 G CA -0.621 44.516 45.100 0.061 0.000 0.781 415 G HN 0.775 nan 8.290 nan 0.000 0.491 416 N N -0.836 117.939 118.700 0.125 0.000 2.498 416 N HA 0.213 4.954 4.740 0.002 0.000 0.272 416 N C 0.413 176.089 175.510 0.276 0.000 1.534 416 N CA -0.475 52.695 53.050 0.201 0.000 0.873 416 N CB 0.941 39.546 38.487 0.196 0.000 1.415 416 N HN 0.789 nan 8.380 nan 0.000 0.496 417 G N 0.527 109.428 108.800 0.168 0.000 2.562 417 G HA2 0.500 4.462 3.960 0.002 0.000 0.275 417 G HA3 0.500 4.462 3.960 0.002 0.000 0.275 417 G C -0.556 174.355 174.900 0.018 0.000 1.196 417 G CA -0.262 44.933 45.100 0.159 0.000 0.908 417 G HN 0.066 nan 8.290 nan 0.000 0.524 418 V N 0.362 120.264 119.914 -0.020 0.000 2.656 418 V HA 0.307 4.428 4.120 0.002 0.000 0.307 418 V C -1.108 174.904 176.094 -0.137 0.000 1.051 418 V CA -0.774 61.447 62.300 -0.131 0.000 0.893 418 V CB 1.519 33.205 31.823 -0.228 0.000 0.999 418 V HN 0.606 nan 8.190 nan 0.000 0.426 419 Y N 2.942 123.212 120.300 -0.051 0.000 2.319 419 Y HA 0.456 5.007 4.550 0.002 0.000 0.328 419 Y C 0.643 176.230 175.900 -0.521 0.000 1.133 419 Y CA 0.056 58.015 58.100 -0.236 0.000 1.265 419 Y CB 0.753 39.061 38.460 -0.253 0.000 1.218 419 Y HN 0.537 nan 8.280 nan 0.000 0.508 420 Q N 2.999 122.524 119.800 -0.459 0.000 2.340 420 Q HA 0.536 4.877 4.340 0.002 0.000 0.268 420 Q C -1.579 174.081 176.000 -0.567 0.000 1.031 420 Q CA -0.714 54.831 55.803 -0.430 0.000 0.804 420 Q CB 1.910 30.560 28.738 -0.147 0.000 1.286 420 Q HN 0.513 nan 8.270 nan 0.000 0.448 421 F N 0.183 120.159 119.950 0.043 0.000 2.598 421 F HA 0.522 5.050 4.527 0.002 0.000 0.327 421 F C 0.311 176.132 175.800 0.035 0.000 1.057 421 F CA -1.080 56.923 58.000 0.005 0.000 0.957 421 F CB 1.080 40.059 39.000 -0.035 0.000 1.278 421 F HN 0.093 nan 8.300 nan 0.000 0.484 422 K N 1.085 121.619 120.400 0.224 0.000 2.110 422 K HA 0.400 4.721 4.320 0.002 0.000 0.263 422 K C -0.760 175.924 176.600 0.139 0.000 0.975 422 K CA -0.929 55.442 56.287 0.140 0.000 0.895 422 K CB 2.295 34.848 32.500 0.088 0.000 1.060 422 K HN 0.586 nan 8.250 nan 0.000 0.448 423 I N 1.286 121.930 120.570 0.122 0.000 2.662 423 I HA 0.034 4.205 4.170 0.002 0.000 0.285 423 I C 0.993 177.158 176.117 0.079 0.000 1.161 423 I CA 1.498 62.869 61.300 0.119 0.000 1.415 423 I CB -0.105 37.960 38.000 0.108 0.000 1.385 423 I HN 0.934 nan 8.210 nan 0.000 0.552 424 G N 4.624 113.466 108.800 0.070 0.000 2.195 424 G HA2 -0.210 3.751 3.960 0.002 0.000 0.224 424 G HA3 -0.210 3.751 3.960 0.002 0.000 0.224 424 G C 0.277 175.175 174.900 -0.004 0.000 0.990 424 G CA -0.037 45.085 45.100 0.036 0.000 0.639 424 G HN 0.637 nan 8.290 nan 0.000 0.514 425 E N 0.431 120.617 120.200 -0.023 0.000 2.414 425 E HA 0.356 4.707 4.350 0.002 0.000 0.263 425 E C 0.230 176.710 176.600 -0.200 0.000 1.000 425 E CA -0.063 56.283 56.400 -0.090 0.000 0.914 425 E CB 1.457 31.104 29.700 -0.089 0.000 0.948 425 E HN 0.137 nan 8.360 nan 0.000 0.444 426 V N 4.537 124.343 119.914 -0.180 0.000 2.406 426 V HA 0.155 4.276 4.120 0.002 0.000 0.272 426 V C 0.066 175.949 176.094 -0.352 0.000 1.043 426 V CA -0.424 61.735 62.300 -0.234 0.000 0.915 426 V CB 1.280 33.043 31.823 -0.100 0.000 0.988 426 V HN 0.342 nan 8.190 nan 0.000 0.466 427 V N 3.989 123.490 119.914 -0.687 0.000 2.604 427 V HA 0.532 4.653 4.120 0.002 0.000 0.305 427 V C -0.740 174.954 176.094 -0.666 0.000 1.043 427 V CA -0.765 61.045 62.300 -0.817 0.000 0.888 427 V CB 2.141 33.065 31.823 -1.500 0.000 0.995 427 V HN 0.814 nan 8.190 nan 0.000 0.429 428 D N 2.060 122.144 120.400 -0.525 0.000 2.248 428 D HA 0.690 5.331 4.640 0.002 0.000 0.246 428 D C -0.891 175.109 176.300 -0.500 0.000 1.027 428 D CA -0.097 53.605 54.000 -0.497 0.000 0.853 428 D CB 2.255 42.660 40.800 -0.657 0.000 1.243 428 D HN 0.302 nan 8.370 nan 0.000 0.462 429 V N 3.217 122.883 119.914 -0.413 0.000 2.483 429 V HA 0.356 4.477 4.120 0.002 0.000 0.297 429 V C -0.609 175.224 176.094 -0.435 0.000 1.027 429 V CA -0.817 61.260 62.300 -0.371 0.000 0.855 429 V CB 1.567 33.288 31.823 -0.170 0.000 0.995 429 V HN 0.410 nan 8.190 nan 0.000 0.424 430 I N 5.958 126.197 120.570 -0.553 0.000 2.312 430 I HA 0.429 4.600 4.170 0.002 0.000 0.290 430 I C -0.187 175.774 176.117 -0.261 0.000 1.008 430 I CA -0.457 60.544 61.300 -0.497 0.000 1.226 430 I CB 1.390 38.920 38.000 -0.783 0.000 1.371 430 I HN 0.405 nan 8.210 nan 0.000 0.468 431 L N 6.001 127.106 121.223 -0.197 0.000 2.264 431 L HA 0.375 4.716 4.340 0.002 0.000 0.289 431 L C -0.000 176.850 176.870 -0.032 0.000 1.044 431 L CA -0.512 54.185 54.840 -0.239 0.000 0.807 431 L CB 1.241 43.050 42.059 -0.416 0.000 1.192 431 L HN 0.520 nan 8.230 nan 0.000 0.425 432 Q N 3.425 123.201 119.800 -0.040 0.000 2.333 432 Q HA 0.325 4.666 4.340 0.002 0.000 0.265 432 Q C -0.754 175.239 176.000 -0.012 0.000 0.989 432 Q CA -0.366 55.472 55.803 0.059 0.000 0.842 432 Q CB 1.350 30.090 28.738 0.004 0.000 1.262 432 Q HN 0.464 nan 8.270 nan 0.000 0.451 433 N N 2.025 120.788 118.700 0.104 0.000 2.463 433 N HA 0.814 5.555 4.740 0.002 0.000 0.270 433 N C -1.461 174.115 175.510 0.109 0.000 1.205 433 N CA 0.243 53.357 53.050 0.105 0.000 0.974 433 N CB 1.379 39.950 38.487 0.141 0.000 1.197 433 N HN 0.723 nan 8.380 nan 0.000 0.504 434 A N 1.034 123.908 122.820 0.090 0.000 2.568 434 A HA 0.418 4.739 4.320 0.002 0.000 0.291 434 A C -0.826 176.798 177.584 0.066 0.000 1.159 434 A CA -0.758 51.372 52.037 0.154 0.000 0.679 434 A CB 0.381 19.489 19.000 0.179 0.000 1.285 434 A HN 0.740 nan 8.150 nan 0.000 0.428 435 N N -0.227 118.576 118.700 0.172 0.000 2.508 435 N HA 0.474 5.215 4.740 0.002 0.000 0.264 435 N C 0.419 175.966 175.510 0.061 0.000 1.216 435 N CA 0.065 53.184 53.050 0.113 0.000 0.943 435 N CB 0.258 38.902 38.487 0.261 0.000 1.113 435 N HN 0.584 nan 8.380 nan 0.000 0.447 436 M N 1.667 121.274 119.600 0.012 0.000 1.898 436 M HA 0.166 4.647 4.480 0.002 0.000 0.191 436 M C 1.402 177.661 176.300 -0.067 0.000 1.181 436 M CA -0.500 54.762 55.300 -0.064 0.000 0.990 436 M CB 0.206 32.772 32.600 -0.057 0.000 1.143 436 M HN 0.536 nan 8.290 nan 0.000 0.540 437 M N 0.224 119.747 119.600 -0.127 0.000 2.254 437 M HA 0.013 4.494 4.480 0.002 0.000 0.265 437 M C 0.724 176.999 176.300 -0.042 0.000 1.066 437 M CA 1.239 56.487 55.300 -0.088 0.000 1.123 437 M CB -1.008 31.521 32.600 -0.117 0.000 1.388 437 M HN 0.395 nan 8.290 nan 0.000 0.425 438 K N 1.968 122.348 120.400 -0.034 0.000 2.295 438 K HA 0.055 4.376 4.320 0.002 0.000 0.270 438 K C -0.360 176.259 176.600 0.032 0.000 1.011 438 K CA -0.012 56.273 56.287 -0.002 0.000 0.953 438 K CB 0.753 33.253 32.500 0.001 0.000 0.956 438 K HN 0.169 nan 8.250 nan 0.000 0.477 439 E N 2.316 122.541 120.200 0.041 0.000 2.360 439 E HA -0.083 4.268 4.350 0.002 0.000 0.269 439 E C -0.063 176.596 176.600 0.099 0.000 1.022 439 E CA 0.049 56.487 56.400 0.064 0.000 0.887 439 E CB 0.351 30.080 29.700 0.049 0.000 0.990 439 E HN 0.703 nan 8.360 nan 0.000 0.426 440 N N 1.236 120.022 118.700 0.143 0.000 2.738 440 N HA -0.210 4.531 4.740 0.002 0.000 0.249 440 N C -1.808 173.854 175.510 0.252 0.000 1.047 440 N CA 0.346 53.523 53.050 0.211 0.000 0.707 440 N CB -0.802 37.771 38.487 0.144 0.000 0.937 440 N HN 0.331 nan 8.380 nan 0.000 0.545 441 L N -0.178 121.172 121.223 0.213 0.000 2.436 441 L HA 0.799 5.141 4.340 0.002 0.000 0.268 441 L C -0.866 175.984 176.870 -0.034 0.000 0.974 441 L CA -0.450 54.467 54.840 0.128 0.000 0.826 441 L CB 2.052 44.172 42.059 0.101 0.000 1.291 441 L HN 0.085 nan 8.230 nan 0.000 0.406 442 S N 2.946 118.530 115.700 -0.193 0.000 2.536 442 S HA 0.703 5.174 4.470 0.002 0.000 0.271 442 S C -1.163 173.348 174.600 -0.148 0.000 1.134 442 S CA -0.570 57.437 58.200 -0.321 0.000 0.897 442 S CB 1.284 63.911 63.200 -0.955 0.000 1.094 442 S HN 0.774 nan 8.310 nan 0.000 0.473 443 E N 0.904 121.080 120.200 -0.041 0.000 2.316 443 E HA 0.514 4.865 4.350 0.002 0.000 0.258 443 E C -0.446 176.016 176.600 -0.231 0.000 0.952 443 E CA -1.020 55.335 56.400 -0.076 0.000 0.818 443 E CB 1.431 31.117 29.700 -0.024 0.000 1.260 443 E HN 0.705 nan 8.360 nan 0.000 0.416 444 T N -1.165 113.261 114.554 -0.213 0.000 2.913 444 T HA 0.337 4.688 4.350 0.002 0.000 0.287 444 T C -0.338 174.078 174.700 -0.474 0.000 1.008 444 T CA -0.603 61.346 62.100 -0.252 0.000 1.067 444 T CB 0.669 69.473 68.868 -0.106 0.000 0.996 444 T HN 0.346 nan 8.240 nan 0.000 0.513 445 H N 1.812 120.863 119.070 -0.032 0.000 2.934 445 H HA 0.372 4.929 4.556 0.002 0.000 0.340 445 H C -2.818 172.516 175.328 0.010 0.000 1.008 445 H CA -1.612 54.435 56.048 -0.002 0.000 1.317 445 H CB 2.370 32.169 29.762 0.063 0.000 1.670 445 H HN 0.535 nan 8.280 nan 0.000 0.516 446 P HA 0.097 nan 4.420 nan 0.000 0.286 446 P C -0.665 176.685 177.300 0.084 0.000 1.269 446 P CA -0.354 62.810 63.100 0.107 0.000 0.787 446 P CB 1.096 32.872 31.700 0.128 0.000 0.920 447 W N 2.306 123.652 121.300 0.077 0.000 2.632 447 W HA 0.385 5.046 4.660 0.001 0.000 0.328 447 W C 0.171 176.820 176.519 0.216 0.000 1.044 447 W CA 0.250 57.593 57.345 -0.003 0.000 1.225 447 W CB 1.370 30.731 29.460 -0.164 0.000 1.396 447 W HN 0.457 nan 8.180 nan 0.000 0.499 448 H N 3.152 122.331 119.070 0.182 0.000 2.667 448 H HA 0.544 5.101 4.556 0.002 0.000 0.353 448 H C -1.748 173.792 175.328 0.354 0.000 1.072 448 H CA -0.740 55.455 56.048 0.244 0.000 1.214 448 H CB 1.267 31.089 29.762 0.100 0.000 1.600 448 H HN 0.478 nan 8.280 nan 0.000 0.527 449 L N 5.755 126.895 121.223 -0.139 0.000 2.309 449 L HA 0.374 4.715 4.340 0.002 0.000 0.282 449 L C -0.215 176.409 176.870 -0.409 0.000 1.036 449 L CA -0.680 54.067 54.840 -0.156 0.000 0.806 449 L CB 0.750 42.631 42.059 -0.296 0.000 1.220 449 L HN 0.802 nan 8.230 nan 0.000 0.429 450 H N 2.696 121.588 119.070 -0.297 0.000 2.511 450 H HA 0.162 4.719 4.556 0.002 0.000 0.346 450 H C 0.870 176.043 175.328 -0.259 0.000 1.128 450 H CA 0.235 56.201 56.048 -0.137 0.000 1.342 450 H CB 1.405 31.264 29.762 0.161 0.000 1.470 450 H HN 0.931 nan 8.280 nan 0.000 0.546 451 G N 1.903 110.450 108.800 -0.422 0.000 2.166 451 G HA2 -0.260 3.701 3.960 0.002 0.000 0.260 451 G HA3 -0.260 3.701 3.960 0.002 0.000 0.260 451 G C -0.468 173.705 174.900 -1.212 0.000 0.986 451 G CA 0.687 45.049 45.100 -1.230 0.000 0.683 451 G HN 0.850 nan 8.290 nan 0.000 0.527 452 H N -1.280 117.436 119.070 -0.591 0.000 3.014 452 H HA 0.610 5.167 4.556 0.002 0.000 0.337 452 H C -1.434 173.623 175.328 -0.451 0.000 1.320 452 H CA -0.896 54.861 56.048 -0.484 0.000 1.128 452 H CB 1.162 30.635 29.762 -0.481 0.000 1.862 452 H HN 0.076 nan 8.280 nan 0.000 0.536 453 D N 0.909 121.138 120.400 -0.286 0.000 2.248 453 D HA 0.363 5.005 4.640 0.002 0.000 0.246 453 D C -0.702 175.360 176.300 -0.396 0.000 1.027 453 D CA -0.414 53.315 54.000 -0.453 0.000 0.853 453 D CB 1.576 42.122 40.800 -0.423 0.000 1.243 453 D HN 0.278 nan 8.370 nan 0.000 0.462 454 F N -1.196 118.561 119.950 -0.321 0.000 2.598 454 F HA 0.652 5.180 4.527 0.002 0.000 0.327 454 F C -0.592 175.051 175.800 -0.262 0.000 1.057 454 F CA -1.509 56.337 58.000 -0.256 0.000 0.957 454 F CB 0.830 39.741 39.000 -0.149 0.000 1.278 454 F HN 0.150 nan 8.300 nan 0.000 0.484 455 W N 1.617 123.101 121.300 0.306 0.000 2.365 455 W HA 0.531 5.192 4.660 0.001 0.000 0.316 455 W C -1.026 175.610 176.519 0.195 0.000 1.164 455 W CA -0.992 56.469 57.345 0.192 0.000 1.204 455 W CB 1.931 31.451 29.460 0.099 0.000 1.213 455 W HN 0.215 nan 8.180 nan 0.000 0.539 456 V N 5.957 126.083 119.914 0.354 0.000 2.339 456 V HA -0.054 4.067 4.120 0.002 0.000 0.261 456 V C 0.997 177.133 176.094 0.070 0.000 1.058 456 V CA -0.247 62.150 62.300 0.161 0.000 0.897 456 V CB 0.591 32.510 31.823 0.161 0.000 1.052 456 V HN 0.408 nan 8.190 nan 0.000 0.480 457 L N 4.085 125.316 121.223 0.013 0.000 2.156 457 L HA 0.333 4.674 4.340 0.002 0.000 0.208 457 L C 1.207 178.061 176.870 -0.027 0.000 1.095 457 L CA 1.619 56.465 54.840 0.010 0.000 0.770 457 L CB -0.804 41.253 42.059 -0.005 0.000 0.914 457 L HN 0.843 nan 8.230 nan 0.000 0.439 458 G N -3.402 105.300 108.800 -0.164 0.000 2.313 458 G HA2 0.350 4.311 3.960 0.002 0.000 0.296 458 G HA3 0.350 4.311 3.960 0.002 0.000 0.296 458 G C -2.074 172.492 174.900 -0.556 0.000 1.356 458 G CA -0.707 44.265 45.100 -0.213 0.000 0.833 458 G HN -0.182 nan 8.290 nan 0.000 0.552 459 Y N -1.002 118.983 120.300 -0.526 0.000 2.553 459 Y HA 0.821 5.372 4.550 0.002 0.000 0.347 459 Y C 0.666 175.816 175.900 -1.249 0.000 1.019 459 Y CA -0.135 57.482 58.100 -0.805 0.000 1.032 459 Y CB 2.589 40.732 38.460 -0.527 0.000 1.284 459 Y HN 1.145 nan 8.280 nan 0.000 0.466 460 G N 0.452 108.348 108.800 -1.506 0.000 2.649 460 G HA2 0.532 4.493 3.960 0.002 0.000 0.290 460 G HA3 0.532 4.493 3.960 0.002 0.000 0.290 460 G C -2.082 172.495 174.900 -0.537 0.000 1.426 460 G CA -0.916 43.586 45.100 -0.996 0.000 0.794 460 G HN 0.428 nan 8.290 nan 0.000 0.483 461 D N -0.743 119.641 120.400 -0.027 0.000 2.217 461 D HA 0.635 5.277 4.640 0.002 0.000 0.248 461 D C 0.929 177.415 176.300 0.310 0.000 1.008 461 D CA 1.159 55.238 54.000 0.132 0.000 0.914 461 D CB 1.582 42.452 40.800 0.117 0.000 1.182 461 D HN 1.075 nan 8.370 nan 0.000 0.451 462 G N 0.807 109.797 108.800 0.317 0.000 2.562 462 G HA2 -0.270 3.691 3.960 0.002 0.000 0.250 462 G HA3 -0.270 3.691 3.960 0.002 0.000 0.250 462 G C -0.331 174.860 174.900 0.485 0.000 1.269 462 G CA -0.322 44.982 45.100 0.341 0.000 0.919 462 G HN 0.658 nan 8.290 nan 0.000 0.574 463 K N -0.360 120.272 120.400 0.387 0.000 2.201 463 K HA 0.539 4.860 4.320 0.002 0.000 0.278 463 K C 0.102 176.871 176.600 0.282 0.000 1.027 463 K CA -0.751 55.767 56.287 0.386 0.000 0.909 463 K CB 0.518 33.199 32.500 0.301 0.000 1.062 463 K HN 0.521 nan 8.250 nan 0.000 0.465 464 F N 3.474 123.404 119.950 -0.034 0.000 2.572 464 F HA 0.075 4.603 4.527 0.001 0.000 0.370 464 F C -0.062 175.598 175.800 -0.235 0.000 1.103 464 F CA 0.706 58.389 58.000 -0.528 0.000 1.286 464 F CB 0.546 39.108 39.000 -0.730 0.000 1.105 464 F HN 0.557 nan 8.300 nan 0.000 0.583 465 S N 4.093 119.209 115.700 -0.974 0.000 2.618 465 S HA 0.694 5.165 4.470 0.002 0.000 0.277 465 S C 0.392 174.430 174.600 -0.937 0.000 1.138 465 S CA -0.496 57.288 58.200 -0.694 0.000 0.844 465 S CB 1.201 64.210 63.200 -0.318 0.000 1.127 465 S HN 1.089 nan 8.310 nan 0.000 0.474 466 A N 0.890 123.384 122.820 -0.544 0.000 2.042 466 A HA -0.132 4.190 4.320 0.002 0.000 0.222 466 A C 1.716 179.133 177.584 -0.277 0.000 1.167 466 A CA 2.045 53.865 52.037 -0.361 0.000 0.649 466 A CB -1.169 17.720 19.000 -0.186 0.000 0.809 466 A HN 0.942 nan 8.150 nan 0.000 0.457 467 E N -0.072 119.978 120.200 -0.250 0.000 2.204 467 E HA -0.146 4.205 4.350 0.002 0.000 0.194 467 E C 1.377 177.907 176.600 -0.117 0.000 0.989 467 E CA 1.041 57.359 56.400 -0.137 0.000 0.824 467 E CB -0.068 29.576 29.700 -0.093 0.000 0.756 467 E HN 0.659 nan 8.360 nan 0.000 0.477 468 E N 0.720 120.777 120.200 -0.239 0.000 2.502 468 E HA -0.104 4.247 4.350 0.002 0.000 0.194 468 E C 1.456 178.065 176.600 0.014 0.000 1.062 468 E CA 0.296 56.644 56.400 -0.086 0.000 0.867 468 E CB 0.218 29.813 29.700 -0.175 0.000 0.888 468 E HN 0.223 nan 8.360 nan 0.000 0.510 469 E N 1.757 121.932 120.200 -0.042 0.000 2.038 469 E HA -0.162 4.189 4.350 0.002 0.000 0.195 469 E C 1.883 178.542 176.600 0.100 0.000 1.000 469 E CA 1.873 58.325 56.400 0.086 0.000 0.803 469 E CB -0.143 29.593 29.700 0.061 0.000 0.750 469 E HN 0.165 nan 8.360 nan 0.000 0.448 470 S N -0.534 115.205 115.700 0.065 0.000 2.537 470 S HA -0.143 4.328 4.470 0.002 0.000 0.240 470 S C 1.856 176.509 174.600 0.088 0.000 0.981 470 S CA 0.976 59.215 58.200 0.065 0.000 0.948 470 S CB -0.501 62.725 63.200 0.043 0.000 0.759 470 S HN 0.315 nan 8.310 nan 0.000 0.531 471 S N 0.811 116.590 115.700 0.132 0.000 2.524 471 S HA 0.292 4.763 4.470 0.002 0.000 0.216 471 S C 0.551 175.245 174.600 0.156 0.000 0.987 471 S CA -0.575 57.717 58.200 0.152 0.000 0.909 471 S CB -0.605 62.723 63.200 0.213 0.000 0.781 471 S HN 0.486 nan 8.310 nan 0.000 0.521 472 L N 3.205 124.527 121.223 0.164 0.000 2.455 472 L HA 0.243 4.584 4.340 0.002 0.000 0.272 472 L C 0.388 177.303 176.870 0.074 0.000 1.174 472 L CA -0.351 54.568 54.840 0.131 0.000 0.869 472 L CB -0.040 42.091 42.059 0.119 0.000 1.130 472 L HN 0.227 nan 8.230 nan 0.000 0.474 473 N N 4.093 122.828 118.700 0.058 0.000 2.411 473 N HA 0.171 4.912 4.740 0.002 0.000 0.259 473 N C 0.097 175.614 175.510 0.011 0.000 1.103 473 N CA 0.095 53.168 53.050 0.038 0.000 0.954 473 N CB 0.880 39.394 38.487 0.046 0.000 1.085 473 N HN 0.564 nan 8.380 nan 0.000 0.485 474 L N 2.806 124.023 121.223 -0.011 0.000 2.858 474 L HA 0.216 4.557 4.340 0.002 0.000 0.251 474 L C 1.914 178.741 176.870 -0.072 0.000 1.149 474 L CA -0.048 54.754 54.840 -0.063 0.000 0.955 474 L CB 0.191 42.216 42.059 -0.057 0.000 1.289 474 L HN 0.537 nan 8.230 nan 0.000 0.542 475 K N 0.603 120.987 120.400 -0.027 0.000 2.102 475 K HA 0.027 4.348 4.320 0.002 0.000 0.206 475 K C 1.006 177.606 176.600 0.001 0.000 1.031 475 K CA 0.871 57.148 56.287 -0.017 0.000 0.962 475 K CB 0.329 32.831 32.500 0.004 0.000 0.811 475 K HN 0.078 nan 8.250 nan 0.000 0.453 476 N N 1.104 119.822 118.700 0.030 0.000 2.214 476 N HA 0.167 4.908 4.740 0.002 0.000 0.214 476 N C -2.646 172.929 175.510 0.108 0.000 1.132 476 N CA -1.379 51.711 53.050 0.067 0.000 0.856 476 N CB 0.553 39.077 38.487 0.063 0.000 1.020 476 N HN 0.234 nan 8.380 nan 0.000 0.509 477 P HA 0.100 nan 4.420 nan 0.000 0.266 477 P C -2.783 174.692 177.300 0.290 0.000 1.195 477 P CA -0.769 62.448 63.100 0.195 0.000 0.768 477 P CB 0.509 32.322 31.700 0.188 0.000 0.838 478 P HA 0.177 nan 4.420 nan 0.000 0.271 478 P C -0.393 177.012 177.300 0.175 0.000 1.216 478 P CA -0.036 63.190 63.100 0.210 0.000 0.776 478 P CB 0.713 32.522 31.700 0.183 0.000 0.881 479 L N 4.302 125.552 121.223 0.044 0.000 2.265 479 L HA 0.365 4.706 4.340 0.002 0.000 0.288 479 L C 1.151 177.899 176.870 -0.203 0.000 1.058 479 L CA -0.065 54.662 54.840 -0.187 0.000 0.809 479 L CB 0.358 42.257 42.059 -0.267 0.000 1.179 479 L HN 0.308 nan 8.230 nan 0.000 0.429 480 R N 1.790 122.067 120.500 -0.372 0.000 2.885 480 R HA 0.382 4.723 4.340 0.002 0.000 0.260 480 R C 0.004 175.764 176.300 -0.899 0.000 1.107 480 R CA -0.761 55.077 56.100 -0.436 0.000 0.978 480 R CB 1.138 31.317 30.300 -0.202 0.000 1.227 480 R HN 0.646 nan 8.270 nan 0.000 0.473 481 N N -1.955 116.404 118.700 -0.570 0.000 2.317 481 N HA 0.054 4.795 4.740 0.002 0.000 0.199 481 N C -0.611 174.892 175.510 -0.011 0.000 1.145 481 N CA 0.041 52.801 53.050 -0.482 0.000 0.882 481 N CB 0.835 39.299 38.487 -0.038 0.000 1.113 481 N HN 0.277 nan 8.380 nan 0.000 0.486 482 T N 0.453 115.103 114.554 0.159 0.000 2.841 482 T HA 0.626 4.977 4.350 0.002 0.000 0.283 482 T C -1.418 173.544 174.700 0.437 0.000 1.000 482 T CA -0.620 61.711 62.100 0.385 0.000 0.977 482 T CB 2.418 71.447 68.868 0.267 0.000 0.979 482 T HN -0.031 nan 8.240 nan 0.000 0.446 483 V N 3.147 123.357 119.914 0.493 0.000 3.049 483 V HA 0.725 4.846 4.120 0.002 0.000 0.309 483 V C -1.097 175.147 176.094 0.250 0.000 1.148 483 V CA -0.572 61.965 62.300 0.396 0.000 0.990 483 V CB 2.404 34.454 31.823 0.378 0.000 1.039 483 V HN 0.739 nan 8.190 nan 0.000 0.430 484 V N 5.475 125.470 119.914 0.134 0.000 2.732 484 V HA 0.597 4.718 4.120 0.002 0.000 0.310 484 V C -0.185 175.887 176.094 -0.037 0.000 1.053 484 V CA -0.653 61.568 62.300 -0.132 0.000 0.957 484 V CB 1.737 33.147 31.823 -0.689 0.000 1.018 484 V HN 0.757 nan 8.190 nan 0.000 0.452 485 I N -0.030 120.503 120.570 -0.063 0.000 2.441 485 I HA 0.606 4.777 4.170 0.002 0.000 0.295 485 I C -0.797 175.230 176.117 -0.150 0.000 0.994 485 I CA -0.402 60.910 61.300 0.019 0.000 1.144 485 I CB 1.263 39.333 38.000 0.118 0.000 1.314 485 I HN 0.307 nan 8.210 nan 0.000 0.445 486 F N 4.177 124.165 119.950 0.064 0.000 2.370 486 F HA 0.461 4.989 4.527 0.001 0.000 0.319 486 F C -1.873 173.864 175.800 -0.105 0.000 1.129 486 F CA -2.116 55.863 58.000 -0.036 0.000 1.109 486 F CB 0.069 39.067 39.000 -0.004 0.000 1.262 486 F HN 0.249 nan 8.300 nan 0.000 0.534 487 P HA -0.159 nan 4.420 nan 0.000 0.259 487 P C -0.927 176.416 177.300 0.072 0.000 1.155 487 P CA 0.893 63.886 63.100 -0.178 0.000 0.759 487 P CB -0.328 31.168 31.700 -0.340 0.000 0.753 488 Y N -0.328 120.025 120.300 0.088 0.000 3.617 488 Y HA -0.244 4.307 4.550 0.001 0.000 0.215 488 Y C 1.373 177.374 175.900 0.168 0.000 1.178 488 Y CA 1.073 59.251 58.100 0.130 0.000 1.517 488 Y CB -2.128 36.396 38.460 0.108 0.000 1.457 488 Y HN 0.504 nan 8.280 nan 0.000 0.615 489 G N -1.057 107.902 108.800 0.264 0.000 3.013 489 G HA2 0.688 4.649 3.960 0.002 0.000 0.278 489 G HA3 0.688 4.649 3.960 0.002 0.000 0.278 489 G C -0.762 174.314 174.900 0.293 0.000 1.353 489 G CA -0.512 44.736 45.100 0.247 0.000 1.043 489 G HN 0.406 nan 8.290 nan 0.000 0.523 490 W N -1.087 120.353 121.300 0.234 0.000 2.902 490 W HA 0.774 5.435 4.660 0.002 0.000 0.346 490 W C -1.535 175.048 176.519 0.106 0.000 1.139 490 W CA -1.174 56.259 57.345 0.148 0.000 1.139 490 W CB 0.946 30.509 29.460 0.173 0.000 1.439 490 W HN 0.537 nan 8.180 nan 0.000 0.558 491 T N 1.511 116.213 114.554 0.247 0.000 2.952 491 T HA 0.596 4.947 4.350 0.002 0.000 0.305 491 T C -0.938 173.748 174.700 -0.024 0.000 1.064 491 T CA -0.347 61.730 62.100 -0.038 0.000 1.008 491 T CB 1.714 70.516 68.868 -0.110 0.000 1.078 491 T HN 0.650 nan 8.240 nan 0.000 0.459 492 A N 3.511 126.281 122.820 -0.083 0.000 2.331 492 A HA 0.940 5.261 4.320 0.002 0.000 0.320 492 A C -0.341 177.099 177.584 -0.239 0.000 1.138 492 A CA -0.862 51.057 52.037 -0.196 0.000 0.790 492 A CB 0.448 19.341 19.000 -0.178 0.000 1.206 492 A HN 0.943 nan 8.150 nan 0.000 0.470 493 I N -0.807 119.590 120.570 -0.289 0.000 2.934 493 I HA 0.869 5.040 4.170 0.002 0.000 0.306 493 I C -0.594 175.440 176.117 -0.139 0.000 1.110 493 I CA -1.109 60.043 61.300 -0.246 0.000 1.019 493 I CB 2.224 39.837 38.000 -0.645 0.000 1.227 493 I HN 0.736 nan 8.210 nan 0.000 0.434 494 R N 3.479 124.020 120.500 0.069 0.000 2.686 494 R HA 0.774 5.115 4.340 0.002 0.000 0.283 494 R C -1.996 174.518 176.300 0.358 0.000 0.978 494 R CA -0.433 55.730 56.100 0.105 0.000 0.897 494 R CB 2.118 32.489 30.300 0.117 0.000 1.192 494 R HN 0.776 nan 8.270 nan 0.000 0.457 495 F N 0.104 120.068 119.950 0.024 0.000 2.693 495 F HA 0.530 5.058 4.527 0.001 0.000 0.309 495 F C -1.871 173.913 175.800 -0.026 0.000 1.129 495 F CA -1.207 56.808 58.000 0.025 0.000 0.948 495 F CB 0.906 39.819 39.000 -0.145 0.000 1.315 495 F HN 0.073 nan 8.300 nan 0.000 0.447 496 V N 2.110 122.104 119.914 0.133 0.000 2.407 496 V HA 0.645 4.766 4.120 0.002 0.000 0.278 496 V C 0.518 176.667 176.094 0.091 0.000 1.037 496 V CA -0.429 61.877 62.300 0.010 0.000 0.900 496 V CB 1.079 32.974 31.823 0.120 0.000 0.983 496 V HN 1.102 nan 8.190 nan 0.000 0.459 497 A N 3.493 126.280 122.820 -0.056 0.000 3.026 497 A HA 0.308 4.629 4.320 0.002 0.000 0.272 497 A C 0.633 178.338 177.584 0.202 0.000 1.782 497 A CA -0.223 51.900 52.037 0.144 0.000 1.451 497 A CB -0.726 18.279 19.000 0.007 0.000 1.081 497 A HN 0.938 nan 8.150 nan 0.000 0.611 498 D N -0.560 119.967 120.400 0.213 0.000 2.525 498 D HA 0.085 4.726 4.640 0.002 0.000 0.229 498 D C -0.234 176.140 176.300 0.124 0.000 1.202 498 D CA -0.284 53.800 54.000 0.141 0.000 0.828 498 D CB -0.081 40.777 40.800 0.097 0.000 1.008 498 D HN 0.191 nan 8.370 nan 0.000 0.493 499 N N 1.032 119.839 118.700 0.177 0.000 2.648 499 N HA 0.290 5.031 4.740 0.002 0.000 0.261 499 N C -2.973 172.773 175.510 0.393 0.000 1.138 499 N CA -1.821 51.309 53.050 0.133 0.000 0.804 499 N CB 1.554 39.898 38.487 -0.239 0.000 1.237 499 N HN -0.203 nan 8.380 nan 0.000 0.532 500 P HA 0.231 nan 4.420 nan 0.000 0.260 500 P C 0.157 177.627 177.300 0.283 0.000 1.172 500 P CA 0.754 64.022 63.100 0.280 0.000 0.760 500 P CB 0.491 32.296 31.700 0.175 0.000 0.773 501 G N 1.006 109.882 108.800 0.126 0.000 2.369 501 G HA2 0.183 4.144 3.960 0.002 0.000 0.295 501 G HA3 0.183 4.144 3.960 0.002 0.000 0.295 501 G C -1.845 172.723 174.900 -0.552 0.000 1.298 501 G CA -0.756 44.163 45.100 -0.301 0.000 0.940 501 G HN 0.326 nan 8.290 nan 0.000 0.536 502 V N 0.328 119.732 119.914 -0.849 0.000 2.376 502 V HA 0.670 4.791 4.120 0.002 0.000 0.287 502 V C -0.967 174.784 176.094 -0.572 0.000 1.015 502 V CA -0.298 61.694 62.300 -0.513 0.000 0.834 502 V CB 0.984 32.652 31.823 -0.259 0.000 1.001 502 V HN 0.638 nan 8.190 nan 0.000 0.428 503 W N 2.860 124.224 121.300 0.107 0.000 2.632 503 W HA 0.790 5.451 4.660 0.001 0.000 0.328 503 W C 0.206 176.687 176.519 -0.062 0.000 1.044 503 W CA -0.732 56.656 57.345 0.072 0.000 1.225 503 W CB 1.752 31.338 29.460 0.209 0.000 1.396 503 W HN 0.628 nan 8.180 nan 0.000 0.499 504 A N 3.390 126.171 122.820 -0.064 0.000 2.354 504 A HA 0.617 4.938 4.320 0.002 0.000 0.269 504 A C -1.551 175.957 177.584 -0.128 0.000 1.109 504 A CA -0.146 51.750 52.037 -0.235 0.000 0.800 504 A CB 0.298 18.970 19.000 -0.547 0.000 1.045 504 A HN 0.552 nan 8.150 nan 0.000 0.489 505 F N 3.611 123.386 119.950 -0.292 0.000 2.499 505 F HA 0.611 5.140 4.527 0.002 0.000 0.333 505 F C -0.502 175.272 175.800 -0.044 0.000 1.138 505 F CA -1.050 56.782 58.000 -0.279 0.000 0.945 505 F CB 1.173 39.770 39.000 -0.672 0.000 1.181 505 F HN 0.872 nan 8.300 nan 0.000 0.435 506 H N 2.306 121.231 119.070 -0.242 0.000 3.008 506 H HA 0.466 5.023 4.556 0.002 0.000 0.354 506 H C -1.239 173.504 175.328 -0.976 0.000 1.252 506 H CA -1.392 54.278 56.048 -0.629 0.000 1.117 506 H CB 0.849 30.431 29.762 -0.300 0.000 1.857 506 H HN 0.706 nan 8.280 nan 0.000 0.547 507 C N 2.219 120.747 119.300 -1.288 0.000 2.648 507 C HA 0.071 4.532 4.460 0.002 0.000 0.419 507 C C 1.305 176.160 174.990 -0.225 0.000 1.352 507 C CA -0.048 58.371 59.018 -0.997 0.000 1.816 507 C CB -1.014 26.215 27.740 -0.852 0.000 2.598 507 C HN 1.017 nan 8.230 nan 0.000 0.598 508 H N 4.309 123.277 119.070 -0.169 0.000 2.555 508 H HA 0.278 4.835 4.556 0.002 0.000 0.283 508 H C 0.316 175.602 175.328 -0.070 0.000 1.037 508 H CA 0.334 56.385 56.048 0.005 0.000 1.169 508 H CB 0.059 29.863 29.762 0.070 0.000 1.375 508 H HN 0.630 nan 8.280 nan 0.000 0.582 509 I N 1.645 122.153 120.570 -0.103 0.000 2.312 509 I HA -0.057 4.114 4.170 0.002 0.000 0.291 509 I C 1.495 177.470 176.117 -0.236 0.000 1.031 509 I CA -0.121 61.047 61.300 -0.220 0.000 1.293 509 I CB 1.666 39.365 38.000 -0.501 0.000 1.403 509 I HN 0.089 nan 8.210 nan 0.000 0.484 510 E N 8.684 128.751 120.200 -0.221 0.000 2.085 510 E HA -0.152 4.199 4.350 0.002 0.000 0.194 510 E C -0.826 175.689 176.600 -0.142 0.000 0.994 510 E CA 1.893 58.159 56.400 -0.223 0.000 0.801 510 E CB -0.759 28.787 29.700 -0.257 0.000 0.743 510 E HN 0.469 nan 8.360 nan 0.000 0.453 511 P HA -0.182 nan 4.420 nan 0.000 0.218 511 P C 0.783 178.261 177.300 0.296 0.000 1.148 511 P CA 1.625 64.773 63.100 0.081 0.000 0.822 511 P CB -0.197 31.566 31.700 0.105 0.000 0.784 512 H N -1.007 118.055 119.070 -0.015 0.000 2.333 512 H HA -0.047 4.510 4.556 0.002 0.000 0.302 512 H C 2.156 177.406 175.328 -0.128 0.000 1.075 512 H CA 0.415 56.345 56.048 -0.196 0.000 1.348 512 H CB -0.368 29.099 29.762 -0.492 0.000 1.393 512 H HN 0.008 nan 8.280 nan 0.000 0.509 513 L N 0.689 121.900 121.223 -0.022 0.000 2.046 513 L HA -0.196 4.145 4.340 0.002 0.000 0.208 513 L C 2.362 179.225 176.870 -0.011 0.000 1.077 513 L CA 1.793 56.581 54.840 -0.087 0.000 0.747 513 L CB -0.646 41.291 42.059 -0.204 0.000 0.896 513 L HN 0.242 nan 8.230 nan 0.000 0.432 514 H N -0.813 118.223 119.070 -0.057 0.000 2.387 514 H HA -0.129 4.428 4.556 0.002 0.000 0.299 514 H C 1.714 177.057 175.328 0.026 0.000 1.099 514 H CA 2.086 58.115 56.048 -0.032 0.000 1.315 514 H CB -0.089 29.648 29.762 -0.042 0.000 1.380 514 H HN 0.366 nan 8.280 nan 0.000 0.513 515 M N -0.774 118.894 119.600 0.113 0.000 2.581 515 M HA 0.160 4.641 4.480 0.002 0.000 0.224 515 M C 1.212 177.577 176.300 0.109 0.000 1.171 515 M CA 0.703 56.080 55.300 0.129 0.000 0.993 515 M CB 0.947 33.758 32.600 0.352 0.000 1.685 515 M HN 0.569 nan 8.290 nan 0.000 0.479 516 G N 0.580 109.404 108.800 0.039 0.000 2.213 516 G HA2 -0.260 3.701 3.960 0.002 0.000 0.226 516 G HA3 -0.260 3.701 3.960 0.002 0.000 0.226 516 G C 0.336 175.265 174.900 0.050 0.000 0.992 516 G CA -0.348 44.775 45.100 0.039 0.000 0.632 516 G HN 0.452 nan 8.290 nan 0.000 0.511 517 M N 1.839 121.454 119.600 0.026 0.000 3.268 517 M HA 0.466 4.947 4.480 0.002 0.000 0.249 517 M C 0.675 176.856 176.300 -0.197 0.000 1.527 517 M CA 1.299 56.559 55.300 -0.067 0.000 1.645 517 M CB -0.777 31.682 32.600 -0.235 0.000 1.193 517 M HN 0.728 nan 8.290 nan 0.000 0.534 518 G N 1.565 110.329 108.800 -0.059 0.000 2.489 518 G HA2 0.519 4.480 3.960 0.002 0.000 0.291 518 G HA3 0.519 4.480 3.960 0.002 0.000 0.291 518 G C -1.625 173.332 174.900 0.096 0.000 1.487 518 G CA -0.562 44.505 45.100 -0.056 0.000 0.795 518 G HN 0.533 nan 8.290 nan 0.000 0.513 519 V N -2.535 117.454 119.914 0.125 0.000 3.155 519 V HA 0.942 5.063 4.120 0.002 0.000 0.313 519 V C -0.481 175.664 176.094 0.085 0.000 1.162 519 V CA -1.202 61.212 62.300 0.190 0.000 1.048 519 V CB 1.611 33.652 31.823 0.364 0.000 1.092 519 V HN 0.899 nan 8.190 nan 0.000 0.447 520 V N 1.460 121.459 119.914 0.142 0.000 2.540 520 V HA 0.598 4.719 4.120 0.002 0.000 0.302 520 V C -1.074 175.210 176.094 0.316 0.000 1.035 520 V CA -0.199 62.110 62.300 0.015 0.000 0.873 520 V CB 1.421 33.032 31.823 -0.353 0.000 0.992 520 V HN 0.702 nan 8.190 nan 0.000 0.428 521 F N 2.669 122.701 119.950 0.137 0.000 2.469 521 F HA 0.872 5.400 4.527 0.001 0.000 0.332 521 F C 0.411 176.294 175.800 0.139 0.000 1.103 521 F CA -1.491 56.636 58.000 0.211 0.000 0.979 521 F CB 1.939 41.226 39.000 0.479 0.000 1.137 521 F HN 0.576 nan 8.300 nan 0.000 0.463 522 A N 3.268 126.208 122.820 0.200 0.000 2.414 522 A HA 0.782 5.103 4.320 0.002 0.000 0.306 522 A C -1.022 176.695 177.584 0.221 0.000 1.054 522 A CA -0.581 51.544 52.037 0.148 0.000 0.724 522 A CB 1.877 20.882 19.000 0.008 0.000 1.267 522 A HN 0.762 nan 8.150 nan 0.000 0.418 523 E N 0.719 121.100 120.200 0.300 0.000 2.343 523 E HA 0.498 4.849 4.350 0.002 0.000 0.278 523 E C 0.269 177.010 176.600 0.235 0.000 0.910 523 E CA -0.555 56.036 56.400 0.320 0.000 0.757 523 E CB 1.243 31.236 29.700 0.487 0.000 1.218 523 E HN 2.085 nan 8.360 nan 0.000 0.435 524 G N 2.137 111.041 108.800 0.174 0.000 2.390 524 G HA2 -0.290 3.671 3.960 0.002 0.000 0.299 524 G HA3 -0.290 3.671 3.960 0.002 0.000 0.299 524 G C 0.693 175.655 174.900 0.105 0.000 1.002 524 G CA 0.564 45.743 45.100 0.132 0.000 0.979 524 G HN 0.423 nan 8.290 nan 0.000 0.513 525 V N -0.409 119.554 119.914 0.083 0.000 2.720 525 V HA -0.161 3.960 4.120 0.002 0.000 0.256 525 V C 2.569 178.682 176.094 0.032 0.000 1.082 525 V CA 2.547 64.878 62.300 0.052 0.000 1.101 525 V CB -0.305 31.544 31.823 0.043 0.000 0.693 525 V HN 0.634 nan 8.190 nan 0.000 0.479 526 E N 0.688 120.908 120.200 0.034 0.000 2.219 526 E HA -0.211 4.140 4.350 0.002 0.000 0.198 526 E C 1.845 178.457 176.600 0.020 0.000 0.998 526 E CA 1.044 57.455 56.400 0.017 0.000 0.818 526 E CB -0.314 29.401 29.700 0.024 0.000 0.741 526 E HN 0.570 nan 8.360 nan 0.000 0.477 527 K N 0.315 120.740 120.400 0.042 0.000 2.387 527 K HA 0.169 4.490 4.320 0.002 0.000 0.198 527 K C -0.338 176.296 176.600 0.057 0.000 1.022 527 K CA -0.135 56.182 56.287 0.049 0.000 1.128 527 K CB 0.852 33.391 32.500 0.065 0.000 0.853 527 K HN -0.053 nan 8.250 nan 0.000 0.523 528 V N 1.470 121.414 119.914 0.050 0.000 2.614 528 V HA 0.117 4.238 4.120 0.002 0.000 0.291 528 V C 1.175 177.302 176.094 0.055 0.000 1.049 528 V CA -0.275 62.067 62.300 0.070 0.000 1.038 528 V CB 1.132 32.989 31.823 0.057 0.000 0.980 528 V HN 0.347 nan 8.190 nan 0.000 0.481 529 G N 3.975 112.829 108.800 0.091 0.000 2.666 529 G HA2 0.265 4.226 3.960 0.002 0.000 0.207 529 G HA3 0.265 4.226 3.960 0.002 0.000 0.207 529 G C 0.095 175.023 174.900 0.047 0.000 1.481 529 G CA -0.665 44.473 45.100 0.063 0.000 1.071 529 G HN 0.669 nan 8.290 nan 0.000 0.572 530 R N -0.621 119.890 120.500 0.018 0.000 2.537 530 R HA 0.275 4.616 4.340 0.002 0.000 0.280 530 R C -0.559 175.680 176.300 -0.101 0.000 1.058 530 R CA -0.085 56.000 56.100 -0.024 0.000 1.057 530 R CB 0.049 30.315 30.300 -0.057 0.000 0.973 530 R HN 0.278 nan 8.270 nan 0.000 0.438 531 I N 6.748 127.278 120.570 -0.067 0.000 2.377 531 I HA 0.292 4.463 4.170 0.002 0.000 0.293 531 I C -1.906 174.088 176.117 -0.204 0.000 0.987 531 I CA -2.670 58.551 61.300 -0.132 0.000 1.185 531 I CB 1.856 39.909 38.000 0.088 0.000 1.341 531 I HN 0.512 nan 8.210 nan 0.000 0.455 532 P HA -0.015 nan 4.420 nan 0.000 0.261 532 P C 0.727 177.997 177.300 -0.050 0.000 1.173 532 P CA 0.294 63.233 63.100 -0.269 0.000 0.760 532 P CB 0.433 31.898 31.700 -0.392 0.000 0.783 533 T N 2.385 116.911 114.554 -0.047 0.000 2.721 533 T HA -0.232 4.119 4.350 0.002 0.000 0.268 533 T C 1.535 176.266 174.700 0.052 0.000 1.038 533 T CA 1.532 63.630 62.100 -0.003 0.000 1.145 533 T CB -0.279 68.576 68.868 -0.021 0.000 0.858 533 T HN 0.468 nan 8.240 nan 0.000 0.459 534 K N 0.615 121.087 120.400 0.119 0.000 2.148 534 K HA 0.103 4.425 4.320 0.002 0.000 0.204 534 K C 2.398 179.097 176.600 0.165 0.000 1.050 534 K CA 0.939 57.336 56.287 0.184 0.000 0.942 534 K CB -0.167 32.546 32.500 0.354 0.000 0.724 534 K HN 0.307 nan 8.250 nan 0.000 0.446 535 A N 0.134 123.100 122.820 0.243 0.000 2.168 535 A HA -0.051 4.270 4.320 0.002 0.000 0.215 535 A C 1.550 179.183 177.584 0.082 0.000 1.152 535 A CA 0.961 53.084 52.037 0.144 0.000 0.716 535 A CB -0.010 19.153 19.000 0.271 0.000 0.794 535 A HN 0.091 nan 8.150 nan 0.000 0.465 536 L N -1.637 119.626 121.223 0.066 0.000 2.515 536 L HA 0.290 4.631 4.340 0.002 0.000 0.223 536 L C 1.893 178.763 176.870 0.001 0.000 1.079 536 L CA 0.880 55.739 54.840 0.031 0.000 0.857 536 L CB -0.981 41.083 42.059 0.009 0.000 1.050 536 L HN 0.310 nan 8.230 nan 0.000 0.476 537 A N 0.194 123.017 122.820 0.006 0.000 3.004 537 A HA 0.353 4.674 4.320 0.002 0.000 0.252 537 A C 0.506 178.085 177.584 -0.008 0.000 1.802 537 A CA 0.142 52.176 52.037 -0.005 0.000 1.424 537 A CB -1.543 17.461 19.000 0.007 0.000 1.005 537 A HN 0.514 nan 8.150 nan 0.000 0.631 538 c N -3.885 114.707 118.600 -0.014 0.000 3.320 538 c HA 0.895 5.466 4.570 0.002 0.000 0.335 538 c C 1.139 175.218 174.090 -0.019 0.000 1.430 538 c CA -0.188 56.131 56.329 -0.017 0.000 1.271 538 c CB 0.774 43.272 42.510 -0.020 0.000 1.609 538 c HN 2.186 nan 8.230 nan 0.000 0.457 539 G N 0.916 109.704 108.800 -0.020 0.000 2.594 539 G HA2 0.144 4.105 3.960 0.002 0.000 0.297 539 G HA3 0.144 4.105 3.960 0.002 0.000 0.297 539 G C 0.995 175.888 174.900 -0.013 0.000 1.273 539 G CA 1.027 46.116 45.100 -0.018 0.000 0.974 539 G HN 2.445 nan 8.290 nan 0.000 0.552 540 G N -1.250 107.549 108.800 -0.002 0.000 2.551 540 G HA2 0.206 4.167 3.960 0.002 0.000 0.216 540 G HA3 0.206 4.167 3.960 0.002 0.000 0.216 540 G C 1.882 176.781 174.900 -0.002 0.000 1.137 540 G CA 2.130 47.234 45.100 0.007 0.000 0.798 540 G HN 1.504 nan 8.290 nan 0.000 0.536 541 T N 0.789 115.340 114.554 -0.004 0.000 2.674 541 T HA 0.027 4.378 4.350 0.002 0.000 0.265 541 T C 2.669 177.321 174.700 -0.080 0.000 1.039 541 T CA 1.502 63.579 62.100 -0.038 0.000 1.150 541 T CB -0.517 68.345 68.868 -0.009 0.000 0.864 541 T HN 0.259 nan 8.240 nan 0.000 0.427 542 A N 1.905 124.693 122.820 -0.054 0.000 1.972 542 A HA -0.025 4.296 4.320 0.002 0.000 0.219 542 A C 2.317 179.870 177.584 -0.052 0.000 1.169 542 A CA 1.985 53.989 52.037 -0.055 0.000 0.635 542 A CB -0.688 18.291 19.000 -0.034 0.000 0.810 542 A HN 0.528 nan 8.150 nan 0.000 0.446 543 K N 0.770 121.145 120.400 -0.041 0.000 2.009 543 K HA -0.165 4.157 4.320 0.002 0.000 0.210 543 K C 2.248 178.820 176.600 -0.046 0.000 1.049 543 K CA 2.253 58.518 56.287 -0.037 0.000 0.929 543 K CB -0.284 32.198 32.500 -0.029 0.000 0.714 543 K HN 0.564 nan 8.250 nan 0.000 0.440 544 S N -0.143 115.525 115.700 -0.053 0.000 2.387 544 S HA -0.064 4.407 4.470 0.002 0.000 0.226 544 S C 1.790 176.338 174.600 -0.087 0.000 1.026 544 S CA 0.731 58.896 58.200 -0.058 0.000 0.972 544 S CB -0.267 62.905 63.200 -0.046 0.000 0.814 544 S HN 0.141 nan 8.310 nan 0.000 0.477 545 L N 1.093 122.238 121.223 -0.130 0.000 2.240 545 L HA 0.401 4.742 4.340 0.002 0.000 0.211 545 L C 0.721 177.535 176.870 -0.094 0.000 1.106 545 L CA 0.561 55.309 54.840 -0.153 0.000 0.793 545 L CB -0.743 41.173 42.059 -0.237 0.000 0.927 545 L HN 0.337 nan 8.230 nan 0.000 0.446 546 I N 0.622 121.150 120.570 -0.070 0.000 2.379 546 I HA -0.006 4.165 4.170 0.002 0.000 0.290 546 I C 0.328 176.421 176.117 -0.040 0.000 1.063 546 I CA -0.210 61.061 61.300 -0.048 0.000 1.351 546 I CB 0.316 38.293 38.000 -0.038 0.000 1.410 546 I HN 0.096 nan 8.210 nan 0.000 0.505 547 N N 5.608 124.287 118.700 -0.034 0.000 2.402 547 N HA 0.087 4.828 4.740 0.002 0.000 0.252 547 N C -0.465 175.032 175.510 -0.021 0.000 1.118 547 N CA 0.092 53.126 53.050 -0.026 0.000 0.945 547 N CB 0.276 38.750 38.487 -0.023 0.000 1.147 547 N HN 0.439 nan 8.380 nan 0.000 0.495 548 N N 4.100 122.788 118.700 -0.020 0.000 2.726 548 N HA 0.304 5.046 4.740 0.002 0.000 0.253 548 N C -2.687 172.814 175.510 -0.016 0.000 1.530 548 N CA -1.272 51.768 53.050 -0.017 0.000 0.772 548 N CB 0.650 39.126 38.487 -0.018 0.000 1.220 548 N HN 0.453 nan 8.380 nan 0.000 0.508 549 P HA 0.310 nan 4.420 nan 0.000 0.277 549 P C -1.106 176.187 177.300 -0.011 0.000 1.276 549 P CA -0.110 62.983 63.100 -0.012 0.000 0.788 549 P CB 0.810 32.504 31.700 -0.011 0.000 1.114 550 K N 0.350 120.744 120.400 -0.010 0.000 2.615 550 K HA 0.274 4.595 4.320 0.002 0.000 0.249 550 K C -0.454 176.141 176.600 -0.008 0.000 0.977 550 K CA -0.789 55.492 56.287 -0.009 0.000 0.833 550 K CB 0.912 33.406 32.500 -0.010 0.000 1.208 550 K HN 0.452 nan 8.250 nan 0.000 0.443 551 N N 0.601 119.297 118.700 -0.007 0.000 2.909 551 N HA -0.115 4.626 4.740 0.002 0.000 0.242 551 N C -1.957 173.549 175.510 -0.005 0.000 0.975 551 N CA 1.058 54.105 53.050 -0.006 0.000 0.921 551 N CB -1.533 36.950 38.487 -0.006 0.000 1.112 551 N HN 0.860 nan 8.380 nan 0.000 0.581 552 P HA 0.000 nan 4.420 nan 0.000 0.216 552 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 552 P CB 0.000 31.697 31.700 -0.006 0.000 0.726