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 2zxa_1_B DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA VE 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.166 176.300 -0.224 0.000 0.893 7 R CA 0.000 56.006 56.100 -0.157 0.000 0.921 7 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 8 Y N 1.931 122.231 120.300 0.000 0.000 2.299 8 Y HA 0.364 4.914 4.550 0.001 0.000 0.326 8 Y C 1.109 176.991 175.900 -0.030 0.000 1.164 8 Y CA 0.054 58.150 58.100 -0.006 0.000 1.234 8 Y CB 1.076 39.563 38.460 0.045 0.000 1.219 8 Y HN 0.130 nan 8.280 nan 0.000 0.497 9 K N 4.368 124.811 120.400 0.072 0.000 2.095 9 K HA 0.298 4.618 4.320 0.001 0.000 0.252 9 K C -2.482 174.051 176.600 -0.111 0.000 0.977 9 K CA -2.013 54.261 56.287 -0.021 0.000 0.900 9 K CB 0.725 33.197 32.500 -0.047 0.000 1.060 9 K HN 0.337 nan 8.250 nan 0.000 0.449 10 P HA -0.008 nan 4.420 nan 0.000 0.237 10 P C -1.490 175.443 177.300 -0.612 0.000 1.788 10 P CA 0.266 63.059 63.100 -0.511 0.000 1.061 10 P CB -0.231 30.990 31.700 -0.799 0.000 1.967 11 D N 0.193 120.307 120.400 -0.476 0.000 2.803 11 D HA 0.032 4.673 4.640 0.001 0.000 0.218 11 D C 0.298 176.382 176.300 -0.359 0.000 1.245 11 D CA -0.754 52.926 54.000 -0.533 0.000 0.821 11 D CB 0.219 40.832 40.800 -0.311 0.000 1.626 11 D HN 0.036 nan 8.370 nan 0.000 0.487 12 W N 1.283 122.529 121.300 -0.090 0.000 2.321 12 W HA -0.123 4.538 4.660 0.000 0.000 0.306 12 W C 2.284 178.776 176.519 -0.044 0.000 1.217 12 W CA 0.982 58.291 57.345 -0.059 0.000 1.257 12 W CB -0.114 29.332 29.460 -0.023 0.000 1.145 12 W HN 0.586 nan 8.180 nan 0.000 0.509 13 E N 0.352 120.645 120.200 0.155 0.000 2.077 13 E HA -0.253 4.098 4.350 0.001 0.000 0.193 13 E C 2.350 178.985 176.600 0.058 0.000 0.989 13 E CA 1.651 58.105 56.400 0.090 0.000 0.800 13 E CB -0.270 29.462 29.700 0.053 0.000 0.746 13 E HN 0.136 nan 8.360 nan 0.000 0.452 14 S N -0.083 115.635 115.700 0.031 0.000 2.371 14 S HA -0.068 4.402 4.470 0.001 0.000 0.224 14 S C 2.000 176.665 174.600 0.110 0.000 1.029 14 S CA 0.655 58.885 58.200 0.049 0.000 0.978 14 S CB -0.221 62.990 63.200 0.018 0.000 0.833 14 S HN 0.302 nan 8.310 nan 0.000 0.466 15 L N 1.133 122.376 121.223 0.033 0.000 2.187 15 L HA -0.050 4.291 4.340 0.001 0.000 0.213 15 L C 2.739 179.534 176.870 -0.125 0.000 1.100 15 L CA 1.314 56.088 54.840 -0.110 0.000 0.765 15 L CB -0.450 41.433 42.059 -0.295 0.000 0.904 15 L HN 0.328 nan 8.230 nan 0.000 0.437 16 R N 0.834 121.354 120.500 0.033 0.000 2.139 16 R HA -0.220 4.120 4.340 0.001 0.000 0.243 16 R C 1.981 178.318 176.300 0.061 0.000 1.145 16 R CA 1.486 57.635 56.100 0.081 0.000 0.976 16 R CB -0.170 30.166 30.300 0.059 0.000 0.866 16 R HN 0.378 nan 8.270 nan 0.000 0.449 17 E N -0.539 119.714 120.200 0.089 0.000 2.273 17 E HA -0.201 4.149 4.350 0.001 0.000 0.198 17 E C 0.090 176.754 176.600 0.107 0.000 1.002 17 E CA 0.648 57.111 56.400 0.105 0.000 0.828 17 E CB -0.201 29.590 29.700 0.152 0.000 0.747 17 E HN 0.403 nan 8.360 nan 0.000 0.491 18 H N 1.033 120.080 119.070 -0.039 0.000 2.604 18 H HA 0.122 4.678 4.556 0.001 0.000 0.306 18 H C -0.396 174.818 175.328 -0.190 0.000 1.075 18 H CA 0.184 56.074 56.048 -0.264 0.000 1.357 18 H CB 0.575 29.739 29.762 -0.996 0.000 1.426 18 H HN -0.041 nan 8.280 nan 0.000 0.470 19 T N 1.054 115.235 114.554 -0.621 0.000 2.927 19 T HA 0.231 4.582 4.350 0.001 0.000 0.286 19 T C 0.168 174.597 174.700 -0.451 0.000 1.040 19 T CA -0.962 60.918 62.100 -0.367 0.000 1.010 19 T CB 1.456 70.198 68.868 -0.209 0.000 1.177 19 T HN 0.368 nan 8.240 nan 0.000 0.546 20 V N 3.960 123.766 119.914 -0.179 0.000 2.557 20 V HA 0.236 4.357 4.120 0.001 0.000 0.301 20 V C -1.835 174.129 176.094 -0.217 0.000 1.026 20 V CA -1.351 60.872 62.300 -0.128 0.000 1.137 20 V CB -0.133 31.708 31.823 0.030 0.000 0.917 20 V HN 0.833 nan 8.190 nan 0.000 0.484 21 P HA 0.081 nan 4.420 nan 0.000 0.270 21 P C 0.478 177.627 177.300 -0.252 0.000 1.223 21 P CA -0.225 62.715 63.100 -0.267 0.000 0.785 21 P CB 0.712 32.260 31.700 -0.252 0.000 0.923 22 K N 1.266 121.615 120.400 -0.084 0.000 2.074 22 K HA -0.141 4.179 4.320 0.001 0.000 0.209 22 K C 1.991 178.618 176.600 0.046 0.000 1.048 22 K CA 1.977 58.265 56.287 0.002 0.000 0.926 22 K CB -0.361 32.183 32.500 0.074 0.000 0.713 22 K HN 0.685 nan 8.250 nan 0.000 0.444 23 W N -0.071 121.269 121.300 0.067 0.000 2.374 23 W HA -0.205 4.456 4.660 0.001 0.000 0.288 23 W C 1.554 178.100 176.519 0.044 0.000 1.218 23 W CA 0.215 57.597 57.345 0.061 0.000 1.245 23 W CB -0.993 28.509 29.460 0.071 0.000 1.126 23 W HN -0.029 nan 8.180 nan 0.000 0.545 24 F N 2.659 121.967 119.950 -1.070 0.000 2.128 24 F HA -0.144 4.384 4.527 0.001 0.000 0.295 24 F C 2.504 178.041 175.800 -0.438 0.000 1.100 24 F CA 2.358 59.681 58.000 -1.129 0.000 1.260 24 F CB -0.864 37.257 39.000 -1.464 0.000 1.009 24 F HN -0.249 nan 8.300 nan 0.000 0.476 25 D N 0.414 120.697 120.400 -0.196 0.000 2.133 25 D HA -0.190 4.450 4.640 0.001 0.000 0.195 25 D C 1.962 178.211 176.300 -0.086 0.000 0.997 25 D CA 1.211 55.147 54.000 -0.108 0.000 0.840 25 D CB 0.024 40.816 40.800 -0.014 0.000 0.947 25 D HN 0.211 nan 8.370 nan 0.000 0.452 26 K N 0.526 120.918 120.400 -0.013 0.000 2.155 26 K HA 0.071 4.392 4.320 0.001 0.000 0.203 26 K C 0.896 177.570 176.600 0.124 0.000 1.052 26 K CA 0.114 56.444 56.287 0.072 0.000 0.948 26 K CB -0.293 32.278 32.500 0.119 0.000 0.728 26 K HN 0.079 nan 8.250 nan 0.000 0.448 27 A N 1.820 124.703 122.820 0.104 0.000 2.407 27 A HA 0.174 4.495 4.320 0.001 0.000 0.248 27 A C 0.716 178.390 177.584 0.150 0.000 1.082 27 A CA 0.133 52.305 52.037 0.224 0.000 0.785 27 A CB 0.420 19.599 19.000 0.299 0.000 1.020 27 A HN 0.035 nan 8.150 nan 0.000 0.489 28 K N 0.673 121.236 120.400 0.272 0.000 2.517 28 K HA 0.201 4.521 4.320 0.001 0.000 0.210 28 K C -0.963 175.712 176.600 0.124 0.000 1.166 28 K CA 0.355 56.686 56.287 0.073 0.000 1.030 28 K CB 0.599 33.094 32.500 -0.008 0.000 0.974 28 K HN 0.686 nan 8.250 nan 0.000 0.585 29 F N 0.206 120.153 119.950 -0.005 0.000 2.574 29 F HA 0.585 5.113 4.527 0.001 0.000 0.313 29 F C -0.785 174.772 175.800 -0.405 0.000 1.130 29 F CA -0.850 57.070 58.000 -0.133 0.000 0.936 29 F CB 1.969 40.950 39.000 -0.032 0.000 1.219 29 F HN -0.036 nan 8.300 nan 0.000 0.445 30 G N 5.862 114.176 108.800 -0.810 0.000 2.619 30 G HA2 0.622 4.583 3.960 0.001 0.000 0.296 30 G HA3 0.622 4.583 3.960 0.001 0.000 0.296 30 G C -2.032 172.287 174.900 -0.968 0.000 1.334 30 G CA -0.748 43.421 45.100 -1.552 0.000 0.934 30 G HN 0.437 nan 8.290 nan 0.000 0.476 31 I N 1.160 121.219 120.570 -0.851 0.000 2.354 31 I HA 0.426 4.596 4.170 0.001 0.000 0.292 31 I C -0.928 174.961 176.117 -0.380 0.000 0.989 31 I CA -1.215 59.708 61.300 -0.629 0.000 1.188 31 I CB 1.373 38.789 38.000 -0.973 0.000 1.342 31 I HN 0.218 nan 8.210 nan 0.000 0.457 32 F N 7.059 126.820 119.950 -0.314 0.000 2.399 32 F HA 0.566 5.094 4.527 0.001 0.000 0.334 32 F C 0.073 175.796 175.800 -0.128 0.000 1.097 32 F CA -1.563 56.329 58.000 -0.180 0.000 1.076 32 F CB 1.176 40.127 39.000 -0.081 0.000 1.162 32 F HN 0.181 nan 8.300 nan 0.000 0.495 33 I N 5.387 126.074 120.570 0.195 0.000 2.476 33 I HA 0.153 4.324 4.170 0.001 0.000 0.281 33 I C -1.234 174.922 176.117 0.065 0.000 1.040 33 I CA -0.709 60.640 61.300 0.083 0.000 1.094 33 I CB 1.349 39.407 38.000 0.096 0.000 1.219 33 I HN 0.391 nan 8.210 nan 0.000 0.450 34 H N 5.085 124.125 119.070 -0.050 0.000 2.690 34 H HA 0.349 4.906 4.556 0.001 0.000 0.289 34 H C -1.321 174.198 175.328 0.319 0.000 1.089 34 H CA -0.170 55.887 56.048 0.014 0.000 1.299 34 H CB 0.674 30.373 29.762 -0.104 0.000 1.405 34 H HN 0.526 nan 8.280 nan 0.000 0.463 35 W N 3.382 124.737 121.300 0.091 0.000 3.097 35 W HA 0.594 5.255 4.660 0.001 0.000 0.335 35 W C -0.588 175.692 176.519 -0.398 0.000 1.114 35 W CA -0.721 56.588 57.345 -0.060 0.000 1.231 35 W CB 1.676 31.229 29.460 0.154 0.000 1.388 35 W HN 0.718 nan 8.180 nan 0.000 0.485 36 G N 3.732 111.766 108.800 -1.277 0.000 2.489 36 G HA2 0.210 4.171 3.960 0.001 0.000 0.305 36 G HA3 0.210 4.171 3.960 0.001 0.000 0.305 36 G C 0.304 173.979 174.900 -2.043 0.000 1.311 36 G CA -0.211 43.906 45.100 -1.639 0.000 0.813 36 G HN 0.997 nan 8.290 nan 0.000 0.480 37 I N -1.054 118.601 120.570 -1.525 0.000 2.700 37 I HA -0.080 4.090 4.170 0.001 0.000 0.261 37 I C 2.071 177.675 176.117 -0.856 0.000 1.219 37 I CA 1.534 62.093 61.300 -1.235 0.000 1.463 37 I CB -0.481 36.951 38.000 -0.947 0.000 1.092 37 I HN 0.565 nan 8.210 nan 0.000 0.452 38 Y N 0.779 120.839 120.300 -0.399 0.000 2.421 38 Y HA 0.079 4.630 4.550 0.001 0.000 0.292 38 Y C 2.443 178.143 175.900 -0.334 0.000 1.136 38 Y CA 0.653 58.602 58.100 -0.251 0.000 1.255 38 Y CB -1.414 37.071 38.460 0.041 0.000 0.991 38 Y HN 0.057 nan 8.280 nan 0.000 0.552 39 S N 0.329 115.734 115.700 -0.493 0.000 2.469 39 S HA -0.121 4.350 4.470 0.001 0.000 0.238 39 S C 1.990 176.528 174.600 -0.103 0.000 0.998 39 S CA 1.091 59.208 58.200 -0.139 0.000 0.957 39 S CB -0.528 62.590 63.200 -0.135 0.000 0.764 39 S HN 0.382 nan 8.310 nan 0.000 0.514 40 V N 3.014 122.699 119.914 -0.383 0.000 2.231 40 V HA -0.083 4.037 4.120 0.001 0.000 0.240 40 V C -0.298 175.612 176.094 -0.306 0.000 1.039 40 V CA 1.499 63.619 62.300 -0.301 0.000 0.998 40 V CB -1.795 29.802 31.823 -0.377 0.000 0.639 40 V HN 0.342 nan 8.190 nan 0.000 0.451 41 P HA -0.089 nan 4.420 nan 0.000 0.222 41 P C 1.197 178.486 177.300 -0.018 0.000 1.147 41 P CA 1.623 64.502 63.100 -0.369 0.000 0.790 41 P CB -0.400 30.747 31.700 -0.922 0.000 0.780 42 G N 0.200 108.968 108.800 -0.053 0.000 2.385 42 G HA2 -0.211 3.750 3.960 0.001 0.000 0.284 42 G HA3 -0.211 3.750 3.960 0.001 0.000 0.284 42 G C -0.680 174.204 174.900 -0.027 0.000 0.899 42 G CA 0.270 45.369 45.100 -0.001 0.000 1.204 42 G HN 0.466 nan 8.290 nan 0.000 0.486 43 W N 0.237 121.492 121.300 -0.076 0.000 3.129 43 W HA 0.673 5.333 4.660 0.001 0.000 0.333 43 W C -0.442 176.049 176.519 -0.047 0.000 1.141 43 W CA -0.159 57.106 57.345 -0.132 0.000 1.224 43 W CB 1.710 31.024 29.460 -0.243 0.000 1.393 43 W HN 0.873 nan 8.180 nan 0.000 0.499 44 A N 2.237 124.595 122.820 -0.770 0.000 2.594 44 A HA 0.558 4.879 4.320 0.001 0.000 0.296 44 A C -0.536 176.327 177.584 -1.202 0.000 1.061 44 A CA -0.556 51.021 52.037 -0.766 0.000 0.689 44 A CB 0.927 19.732 19.000 -0.325 0.000 1.280 44 A HN 0.733 nan 8.150 nan 0.000 0.406 45 T N 1.179 115.159 114.554 -0.957 0.000 2.752 45 T HA 0.503 4.853 4.350 0.001 0.000 0.295 45 T C -2.186 172.180 174.700 -0.556 0.000 0.923 45 T CA -1.352 60.321 62.100 -0.713 0.000 1.112 45 T CB 0.486 69.103 68.868 -0.419 0.000 0.884 45 T HN 0.371 nan 8.240 nan 0.000 0.525 46 P HA 0.144 nan 4.420 nan 0.000 0.235 46 P C 0.805 177.871 177.300 -0.390 0.000 1.765 46 P CA -0.304 62.463 63.100 -0.556 0.000 1.034 46 P CB -0.121 31.038 31.700 -0.902 0.000 1.984 47 T N -0.100 114.240 114.554 -0.357 0.000 2.746 47 T HA 0.107 4.457 4.350 0.001 0.000 0.267 47 T C 1.119 175.717 174.700 -0.169 0.000 1.039 47 T CA 1.675 63.620 62.100 -0.259 0.000 1.142 47 T CB -0.253 68.422 68.868 -0.322 0.000 0.866 47 T HN 0.561 nan 8.240 nan 0.000 0.444 48 G N -0.034 108.657 108.800 -0.181 0.000 2.343 48 G HA2 0.351 4.311 3.960 0.001 0.000 0.289 48 G HA3 0.351 4.311 3.960 0.001 0.000 0.289 48 G C -2.128 172.734 174.900 -0.063 0.000 1.295 48 G CA -1.053 44.004 45.100 -0.071 0.000 0.869 48 G HN 0.231 nan 8.290 nan 0.000 0.522 49 E N -0.376 119.835 120.200 0.018 0.000 2.301 49 E HA 0.476 4.826 4.350 0.001 0.000 0.275 49 E C -0.043 176.620 176.600 0.106 0.000 1.030 49 E CA -0.740 55.647 56.400 -0.021 0.000 0.852 49 E CB 2.213 32.023 29.700 0.183 0.000 1.060 49 E HN 0.514 nan 8.360 nan 0.000 0.401 50 L N 2.340 123.530 121.223 -0.054 0.000 2.540 50 L HA 0.185 4.525 4.340 0.001 0.000 0.276 50 L C 1.096 177.997 176.870 0.053 0.000 1.212 50 L CA 1.847 56.559 54.840 -0.212 0.000 0.893 50 L CB -0.142 41.756 42.059 -0.268 0.000 1.138 50 L HN 0.815 nan 8.230 nan 0.000 0.491 51 G N 3.404 112.157 108.800 -0.079 0.000 2.259 51 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 51 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 51 G C 0.925 175.816 174.900 -0.015 0.000 1.001 51 G CA 0.301 45.422 45.100 0.034 0.000 0.627 51 G HN 0.601 nan 8.290 nan 0.000 0.501 52 K N -0.095 120.309 120.400 0.007 0.000 2.402 52 K HA 0.427 4.747 4.320 0.001 0.000 0.203 52 K C 0.371 176.973 176.600 0.004 0.000 1.077 52 K CA 0.192 56.448 56.287 -0.052 0.000 1.051 52 K CB 1.998 34.435 32.500 -0.105 0.000 0.907 52 K HN 0.269 nan 8.250 nan 0.000 0.554 53 V N 5.035 124.985 119.914 0.061 0.000 2.439 53 V HA 0.176 4.296 4.120 0.001 0.000 0.282 53 V C -2.187 173.958 176.094 0.084 0.000 1.039 53 V CA -1.963 60.398 62.300 0.102 0.000 0.913 53 V CB 1.172 33.139 31.823 0.240 0.000 0.983 53 V HN 0.099 nan 8.190 nan 0.000 0.460 54 P HA 0.097 nan 4.420 nan 0.000 0.267 54 P C 0.619 177.989 177.300 0.117 0.000 1.209 54 P CA -0.205 62.936 63.100 0.068 0.000 0.763 54 P CB 0.675 32.412 31.700 0.061 0.000 0.816 55 M N 1.509 121.165 119.600 0.093 0.000 2.629 55 M HA -0.082 4.399 4.480 0.001 0.000 0.257 55 M C 0.799 177.278 176.300 0.299 0.000 1.071 55 M CA 1.231 56.610 55.300 0.132 0.000 1.077 55 M CB -1.085 31.550 32.600 0.058 0.000 1.423 55 M HN 0.374 nan 8.290 nan 0.000 0.508 56 D N -0.339 120.247 120.400 0.310 0.000 2.348 56 D HA 0.109 4.750 4.640 0.001 0.000 0.211 56 D C 1.556 178.122 176.300 0.444 0.000 0.998 56 D CA 0.720 54.998 54.000 0.463 0.000 0.873 56 D CB 0.461 41.448 40.800 0.311 0.000 0.925 56 D HN 0.370 nan 8.370 nan 0.000 0.524 57 A N 0.289 123.300 122.820 0.318 0.000 2.211 57 A HA 0.023 4.343 4.320 0.001 0.000 0.208 57 A C 1.790 179.508 177.584 0.223 0.000 1.250 57 A CA -0.448 51.768 52.037 0.297 0.000 0.935 57 A CB -0.614 18.457 19.000 0.119 0.000 0.982 57 A HN 0.258 nan 8.150 nan 0.000 0.490 58 W N 1.006 122.249 121.300 -0.093 0.000 2.290 58 W HA -0.309 4.352 4.660 0.001 0.000 0.328 58 W C 1.258 177.456 176.519 -0.535 0.000 1.272 58 W CA 2.318 59.428 57.345 -0.393 0.000 1.262 58 W CB -0.808 28.280 29.460 -0.621 0.000 1.151 58 W HN 0.368 nan 8.180 nan 0.000 0.473 59 F N -0.604 119.280 119.950 -0.109 0.000 2.365 59 F HA -0.126 4.402 4.527 0.001 0.000 0.300 59 F C 2.049 177.547 175.800 -0.504 0.000 1.090 59 F CA 1.167 58.947 58.000 -0.366 0.000 1.408 59 F CB -1.076 37.673 39.000 -0.418 0.000 1.060 59 F HN -0.234 nan 8.300 nan 0.000 0.534 60 F N -0.527 119.382 119.950 -0.068 0.000 2.615 60 F HA 0.039 4.567 4.527 0.001 0.000 0.297 60 F C 0.867 176.599 175.800 -0.114 0.000 1.124 60 F CA 0.576 58.532 58.000 -0.075 0.000 1.451 60 F CB -0.197 38.764 39.000 -0.065 0.000 1.103 60 F HN -0.080 nan 8.300 nan 0.000 0.569 61 Q N 0.070 119.818 119.800 -0.088 0.000 2.632 61 Q HA 0.120 4.461 4.340 0.001 0.000 0.352 61 Q C -0.674 175.040 176.000 -0.477 0.000 0.821 61 Q CA -0.375 55.314 55.803 -0.190 0.000 1.060 61 Q CB 0.331 28.976 28.738 -0.156 0.000 1.429 61 Q HN -0.023 nan 8.270 nan 0.000 0.391 62 N N 3.012 121.392 118.700 -0.533 0.000 2.434 62 N HA 0.013 4.753 4.740 0.001 0.000 0.268 62 N C -1.521 173.579 175.510 -0.684 0.000 1.256 62 N CA -0.985 51.549 53.050 -0.860 0.000 0.914 62 N CB 1.014 39.197 38.487 -0.508 0.000 1.088 62 N HN 0.227 nan 8.380 nan 0.000 0.478 63 P HA -0.038 nan 4.420 nan 0.000 0.236 63 P C -0.304 176.911 177.300 -0.141 0.000 1.177 63 P CA 0.581 63.364 63.100 -0.528 0.000 0.773 63 P CB 0.159 31.514 31.700 -0.575 0.000 0.878 64 Y N 1.037 121.160 120.300 -0.296 0.000 2.585 64 Y HA 0.326 4.877 4.550 0.001 0.000 0.354 64 Y C 1.943 177.890 175.900 0.079 0.000 1.024 64 Y CA -1.477 56.617 58.100 -0.010 0.000 1.321 64 Y CB -0.288 38.254 38.460 0.137 0.000 1.151 64 Y HN -0.023 nan 8.280 nan 0.000 0.525 65 A N 2.850 125.756 122.820 0.143 0.000 2.019 65 A HA -0.183 4.138 4.320 0.001 0.000 0.219 65 A C 1.774 179.460 177.584 0.170 0.000 1.164 65 A CA 1.304 53.434 52.037 0.154 0.000 0.644 65 A CB -0.206 18.836 19.000 0.070 0.000 0.805 65 A HN 0.672 nan 8.150 nan 0.000 0.449 66 E N -1.309 118.859 120.200 -0.053 0.000 2.401 66 E HA -0.181 4.170 4.350 0.001 0.000 0.199 66 E C 0.725 177.271 176.600 -0.090 0.000 1.023 66 E CA 0.663 56.664 56.400 -0.666 0.000 0.859 66 E CB -0.490 28.385 29.700 -1.375 0.000 0.780 66 E HN 0.856 nan 8.360 nan 0.000 0.523 67 W N -0.250 121.152 121.300 0.170 0.000 3.388 67 W HA 0.234 4.894 4.660 0.001 0.000 0.324 67 W C 1.191 177.862 176.519 0.252 0.000 1.250 67 W CA -0.810 56.782 57.345 0.412 0.000 1.809 67 W CB -0.588 29.127 29.460 0.424 0.000 1.083 67 W HN 0.110 nan 8.180 nan 0.000 0.685 68 Y N 1.458 121.911 120.300 0.255 0.000 2.096 68 Y HA -0.398 4.153 4.550 0.001 0.000 0.278 68 Y C 2.523 178.426 175.900 0.005 0.000 1.192 68 Y CA 2.657 60.876 58.100 0.197 0.000 1.143 68 Y CB -0.221 38.416 38.460 0.296 0.000 0.963 68 Y HN 0.081 nan 8.280 nan 0.000 0.505 69 E N -0.304 119.875 120.200 -0.035 0.000 2.077 69 E HA -0.291 4.059 4.350 0.001 0.000 0.193 69 E C 2.025 178.290 176.600 -0.557 0.000 0.989 69 E CA 1.340 57.445 56.400 -0.492 0.000 0.800 69 E CB -0.347 28.750 29.700 -1.005 0.000 0.746 69 E HN 0.554 nan 8.360 nan 0.000 0.452 70 N N -0.080 118.107 118.700 -0.854 0.000 2.069 70 N HA -0.150 4.590 4.740 0.001 0.000 0.191 70 N C 1.812 177.140 175.510 -0.303 0.000 1.031 70 N CA 2.019 54.595 53.050 -0.791 0.000 0.852 70 N CB -0.125 37.968 38.487 -0.657 0.000 1.018 70 N HN -0.027 nan 8.380 nan 0.000 0.423 71 S N -0.086 115.534 115.700 -0.133 0.000 2.370 71 S HA -0.116 4.355 4.470 0.001 0.000 0.226 71 S C 1.711 176.253 174.600 -0.096 0.000 1.033 71 S CA 0.832 58.984 58.200 -0.081 0.000 1.011 71 S CB -0.472 62.707 63.200 -0.035 0.000 0.852 71 S HN 0.344 nan 8.310 nan 0.000 0.457 72 L N 2.136 123.251 121.223 -0.181 0.000 2.083 72 L HA -0.015 4.326 4.340 0.001 0.000 0.209 72 L C 2.048 178.936 176.870 0.029 0.000 1.083 72 L CA 1.674 56.451 54.840 -0.105 0.000 0.752 72 L CB -0.478 41.467 42.059 -0.190 0.000 0.899 72 L HN 0.142 nan 8.230 nan 0.000 0.433 73 R N -0.686 119.755 120.500 -0.098 0.000 2.280 73 R HA 0.076 4.416 4.340 0.001 0.000 0.207 73 R C 0.301 176.553 176.300 -0.080 0.000 1.043 73 R CA 0.349 56.394 56.100 -0.092 0.000 1.006 73 R CB -0.262 29.911 30.300 -0.211 0.000 0.885 73 R HN 0.332 nan 8.270 nan 0.000 0.467 74 I N 2.417 122.944 120.570 -0.072 0.000 2.282 74 I HA 0.062 4.233 4.170 0.001 0.000 0.290 74 I C 0.281 176.339 176.117 -0.098 0.000 1.090 74 I CA -0.399 60.855 61.300 -0.077 0.000 1.231 74 I CB 0.647 38.599 38.000 -0.080 0.000 1.434 74 I HN -0.042 nan 8.210 nan 0.000 0.487 75 K N 5.608 125.837 120.400 -0.284 0.000 2.485 75 K HA -0.059 4.261 4.320 0.001 0.000 0.277 75 K C 0.090 176.347 176.600 -0.572 0.000 0.990 75 K CA 0.195 55.986 56.287 -0.827 0.000 0.994 75 K CB 0.363 32.385 32.500 -0.796 0.000 0.906 75 K HN 0.454 nan 8.250 nan 0.000 0.488 76 E N 0.800 120.584 120.200 -0.694 0.000 2.414 76 E HA -0.182 4.168 4.350 0.001 0.000 0.173 76 E C -1.702 174.925 176.600 0.045 0.000 1.551 76 E CA 1.251 57.544 56.400 -0.177 0.000 0.661 76 E CB -1.083 28.491 29.700 -0.210 0.000 1.108 76 E HN 0.630 nan 8.360 nan 0.000 0.365 77 S N 0.022 115.838 115.700 0.192 0.000 2.556 77 S HA 0.732 5.202 4.470 0.001 0.000 0.271 77 S C -2.287 172.468 174.600 0.259 0.000 1.135 77 S CA -1.321 57.004 58.200 0.208 0.000 0.858 77 S CB 2.373 65.680 63.200 0.178 0.000 1.114 77 S HN -0.117 nan 8.310 nan 0.000 0.468 78 P HA -0.103 nan 4.420 nan 0.000 0.216 78 P C 1.441 178.908 177.300 0.278 0.000 1.154 78 P CA 1.901 65.191 63.100 0.316 0.000 0.865 78 P CB -0.310 31.623 31.700 0.388 0.000 0.789 79 T N -2.040 112.689 114.554 0.292 0.000 2.720 79 T HA -0.214 4.136 4.350 0.001 0.000 0.268 79 T C 1.410 176.132 174.700 0.036 0.000 1.037 79 T CA 1.354 63.504 62.100 0.083 0.000 1.144 79 T CB -1.009 67.824 68.868 -0.059 0.000 0.864 79 T HN 0.211 nan 8.240 nan 0.000 0.444 80 W N 2.197 123.486 121.300 -0.019 0.000 2.333 80 W HA -0.121 4.539 4.660 0.001 0.000 0.316 80 W C 2.294 178.843 176.519 0.051 0.000 1.215 80 W CA 1.298 58.654 57.345 0.018 0.000 1.278 80 W CB -0.182 29.285 29.460 0.012 0.000 1.154 80 W HN 0.239 nan 8.180 nan 0.000 0.486 81 E N -0.970 119.386 120.200 0.260 0.000 2.085 81 E HA -0.322 4.029 4.350 0.001 0.000 0.194 81 E C 1.916 178.435 176.600 -0.136 0.000 0.994 81 E CA 1.842 58.288 56.400 0.076 0.000 0.801 81 E CB -1.110 28.716 29.700 0.211 0.000 0.743 81 E HN 0.479 nan 8.360 nan 0.000 0.453 82 Y N 1.132 121.251 120.300 -0.302 0.000 2.181 82 Y HA -0.273 4.278 4.550 0.001 0.000 0.288 82 Y C 2.435 178.107 175.900 -0.380 0.000 1.146 82 Y CA 2.235 60.036 58.100 -0.498 0.000 1.164 82 Y CB -0.441 37.360 38.460 -1.098 0.000 0.982 82 Y HN 0.134 nan 8.280 nan 0.000 0.515 83 H N -0.804 118.080 119.070 -0.311 0.000 2.357 83 H HA -0.124 4.432 4.556 0.001 0.000 0.301 83 H C 2.104 177.230 175.328 -0.336 0.000 1.082 83 H CA 2.350 58.293 56.048 -0.174 0.000 1.342 83 H CB -0.419 29.331 29.762 -0.020 0.000 1.389 83 H HN 0.220 nan 8.280 nan 0.000 0.511 84 V N 0.717 120.342 119.914 -0.483 0.000 2.358 84 V HA -0.204 3.916 4.120 0.001 0.000 0.246 84 V C 2.364 178.193 176.094 -0.441 0.000 1.047 84 V CA 2.026 64.017 62.300 -0.514 0.000 1.035 84 V CB -0.393 30.982 31.823 -0.747 0.000 0.658 84 V HN 0.393 nan 8.190 nan 0.000 0.452 85 K N -0.402 119.728 120.400 -0.449 0.000 2.097 85 K HA -0.137 4.183 4.320 0.001 0.000 0.206 85 K C 2.143 178.438 176.600 -0.509 0.000 1.049 85 K CA 1.886 57.935 56.287 -0.395 0.000 0.933 85 K CB -0.191 32.098 32.500 -0.352 0.000 0.717 85 K HN 0.504 nan 8.250 nan 0.000 0.442 86 T N -1.038 113.056 114.554 -0.767 0.000 3.010 86 T HA 0.006 4.356 4.350 0.001 0.000 0.252 86 T C 1.171 175.234 174.700 -1.060 0.000 1.047 86 T CA 0.844 62.349 62.100 -0.992 0.000 1.140 86 T CB -0.006 67.967 68.868 -1.491 0.000 0.885 86 T HN 0.213 nan 8.240 nan 0.000 0.464 87 Y N 0.654 120.526 120.300 -0.713 0.000 2.526 87 Y HA 0.479 5.030 4.550 0.001 0.000 0.265 87 Y C 1.410 177.039 175.900 -0.451 0.000 1.092 87 Y CA 0.062 57.701 58.100 -0.768 0.000 1.277 87 Y CB 0.801 38.382 38.460 -1.466 0.000 1.228 87 Y HN 0.357 nan 8.280 nan 0.000 0.507 88 G N 0.845 109.465 108.800 -0.300 0.000 2.619 88 G HA2 -0.182 3.778 3.960 0.001 0.000 0.686 88 G HA3 -0.182 3.778 3.960 0.001 0.000 0.686 88 G C 0.095 174.976 174.900 -0.031 0.000 1.256 88 G CA -0.246 44.772 45.100 -0.138 0.000 0.826 88 G HN 0.148 nan 8.290 nan 0.000 0.619 89 E N -0.016 120.178 120.200 -0.010 0.000 2.077 89 E HA -0.148 4.202 4.350 0.001 0.000 0.193 89 E C 1.882 178.566 176.600 0.141 0.000 0.989 89 E CA 1.242 57.684 56.400 0.070 0.000 0.800 89 E CB 0.026 29.767 29.700 0.070 0.000 0.746 89 E HN 0.389 nan 8.360 nan 0.000 0.452 90 N N -0.065 118.701 118.700 0.110 0.000 2.530 90 N HA -0.069 4.671 4.740 0.001 0.000 0.216 90 N C -1.204 174.375 175.510 0.114 0.000 1.315 90 N CA 0.135 53.237 53.050 0.088 0.000 0.858 90 N CB -0.477 38.037 38.487 0.044 0.000 1.138 90 N HN -0.008 nan 8.380 nan 0.000 0.473 91 F N 0.738 120.711 119.950 0.038 0.000 2.552 91 F HA 0.317 4.845 4.527 0.001 0.000 0.369 91 F C -0.483 175.359 175.800 0.070 0.000 1.112 91 F CA -1.127 56.878 58.000 0.008 0.000 1.129 91 F CB 0.574 39.555 39.000 -0.031 0.000 1.360 91 F HN -0.077 nan 8.300 nan 0.000 0.473 92 E N 3.411 123.637 120.200 0.043 0.000 2.390 92 E HA -0.020 4.331 4.350 0.001 0.000 0.261 92 E C 0.443 177.107 176.600 0.105 0.000 1.076 92 E CA -0.127 56.324 56.400 0.085 0.000 0.905 92 E CB 0.425 30.120 29.700 -0.008 0.000 0.984 92 E HN 0.683 nan 8.360 nan 0.000 0.427 93 Y N 2.018 122.376 120.300 0.095 0.000 2.151 93 Y HA -0.298 4.253 4.550 0.001 0.000 0.284 93 Y C 1.353 177.366 175.900 0.190 0.000 1.166 93 Y CA 2.248 60.480 58.100 0.220 0.000 1.163 93 Y CB 0.033 38.661 38.460 0.280 0.000 0.974 93 Y HN 0.570 nan 8.280 nan 0.000 0.511 94 E N 0.418 120.686 120.200 0.113 0.000 2.209 94 E HA -0.220 4.130 4.350 0.001 0.000 0.196 94 E C 1.991 178.546 176.600 -0.075 0.000 0.993 94 E CA 1.414 57.873 56.400 0.099 0.000 0.819 94 E CB -0.352 29.381 29.700 0.054 0.000 0.745 94 E HN 0.474 nan 8.360 nan 0.000 0.477 95 K N 0.157 120.390 120.400 -0.278 0.000 2.218 95 K HA -0.151 4.169 4.320 0.001 0.000 0.205 95 K C 1.381 177.777 176.600 -0.340 0.000 1.046 95 K CA 1.080 57.094 56.287 -0.455 0.000 0.933 95 K CB -0.275 31.620 32.500 -1.008 0.000 0.728 95 K HN 0.170 nan 8.250 nan 0.000 0.454 96 F N 0.205 120.043 119.950 -0.187 0.000 2.365 96 F HA -0.121 4.406 4.527 0.001 0.000 0.300 96 F C 2.256 177.858 175.800 -0.330 0.000 1.090 96 F CA 0.374 58.216 58.000 -0.263 0.000 1.408 96 F CB -0.077 38.626 39.000 -0.496 0.000 1.060 96 F HN 0.146 nan 8.300 nan 0.000 0.534 97 A N -0.291 122.404 122.820 -0.209 0.000 2.067 97 A HA -0.166 4.155 4.320 0.001 0.000 0.219 97 A C 1.777 179.282 177.584 -0.133 0.000 1.158 97 A CA 1.774 53.588 52.037 -0.372 0.000 0.661 97 A CB -0.451 18.352 19.000 -0.329 0.000 0.801 97 A HN 0.239 nan 8.150 nan 0.000 0.452 98 D N -0.264 120.096 120.400 -0.066 0.000 2.271 98 D HA 0.042 4.682 4.640 0.001 0.000 0.206 98 D C 1.561 177.861 176.300 0.001 0.000 0.967 98 D CA 0.659 54.639 54.000 -0.034 0.000 0.867 98 D CB -0.024 40.746 40.800 -0.050 0.000 0.960 98 D HN 0.479 nan 8.370 nan 0.000 0.509 99 L N -0.080 121.173 121.223 0.051 0.000 2.592 99 L HA 0.116 4.457 4.340 0.001 0.000 0.227 99 L C 0.601 177.554 176.870 0.138 0.000 1.127 99 L CA -0.216 54.692 54.840 0.114 0.000 0.884 99 L CB -0.042 42.146 42.059 0.215 0.000 1.065 99 L HN -0.136 nan 8.230 nan 0.000 0.457 100 F N 2.321 122.185 119.950 -0.143 0.000 2.619 100 F HA 0.133 4.660 4.527 0.001 0.000 0.350 100 F C 1.382 177.074 175.800 -0.180 0.000 1.259 100 F CA -0.885 56.977 58.000 -0.230 0.000 1.204 100 F CB -0.065 38.668 39.000 -0.445 0.000 1.556 100 F HN -0.047 nan 8.300 nan 0.000 0.650 101 T N 1.507 115.991 114.554 -0.116 0.000 3.069 101 T HA 0.343 4.694 4.350 0.001 0.000 0.252 101 T C 1.314 175.898 174.700 -0.194 0.000 1.053 101 T CA 0.292 62.280 62.100 -0.187 0.000 0.964 101 T CB -0.294 68.544 68.868 -0.050 0.000 1.005 101 T HN 0.996 nan 8.240 nan 0.000 0.532 102 A N 1.550 124.274 122.820 -0.160 0.000 2.715 102 A HA -0.282 4.038 4.320 0.001 0.000 0.301 102 A C 1.395 179.051 177.584 0.120 0.000 1.515 102 A CA 1.542 53.599 52.037 0.034 0.000 0.816 102 A CB -2.406 16.479 19.000 -0.192 0.000 1.004 102 A HN 0.708 nan 8.150 nan 0.000 0.483 103 E N 0.304 120.561 120.200 0.095 0.000 2.114 103 E HA -0.201 4.150 4.350 0.001 0.000 0.199 103 E C 1.442 178.109 176.600 0.113 0.000 1.008 103 E CA 2.308 58.761 56.400 0.087 0.000 0.810 103 E CB -0.145 29.602 29.700 0.077 0.000 0.739 103 E HN 0.775 nan 8.360 nan 0.000 0.456 104 K N -0.998 119.491 120.400 0.149 0.000 2.437 104 K HA 0.069 4.390 4.320 0.001 0.000 0.205 104 K C -0.689 176.014 176.600 0.172 0.000 1.026 104 K CA -0.515 55.851 56.287 0.133 0.000 1.153 104 K CB 0.040 32.608 32.500 0.114 0.000 0.863 104 K HN 0.148 nan 8.250 nan 0.000 0.502 105 W N 2.540 123.814 121.300 -0.043 0.000 2.253 105 W HA 0.036 4.697 4.660 0.001 0.000 0.322 105 W C -0.330 176.037 176.519 -0.252 0.000 1.342 105 W CA 0.059 57.289 57.345 -0.193 0.000 1.218 105 W CB 0.536 29.900 29.460 -0.160 0.000 1.205 105 W HN -0.009 nan 8.180 nan 0.000 0.551 106 D N 8.625 128.540 120.400 -0.808 0.000 2.402 106 D HA 0.160 4.800 4.640 0.001 0.000 0.252 106 D C -1.598 173.958 176.300 -1.240 0.000 1.294 106 D CA -1.726 51.783 54.000 -0.819 0.000 0.948 106 D CB 2.120 42.686 40.800 -0.389 0.000 1.202 106 D HN 0.127 nan 8.370 nan 0.000 0.561 107 P HA -0.166 nan 4.420 nan 0.000 0.218 107 P C 1.151 178.140 177.300 -0.517 0.000 1.148 107 P CA 1.091 63.467 63.100 -1.208 0.000 0.822 107 P CB 0.648 31.680 31.700 -1.113 0.000 0.784 108 Q N -0.155 119.392 119.800 -0.422 0.000 2.172 108 Q HA -0.113 4.228 4.340 0.001 0.000 0.200 108 Q C 2.198 178.081 176.000 -0.195 0.000 0.964 108 Q CA 1.046 56.706 55.803 -0.238 0.000 0.855 108 Q CB -0.277 28.345 28.738 -0.193 0.000 0.918 108 Q HN 0.448 nan 8.270 nan 0.000 0.444 109 E N -0.421 119.650 120.200 -0.215 0.000 2.150 109 E HA -0.180 4.171 4.350 0.001 0.000 0.193 109 E C 1.431 177.965 176.600 -0.110 0.000 0.985 109 E CA 0.631 56.951 56.400 -0.133 0.000 0.814 109 E CB -0.022 29.618 29.700 -0.099 0.000 0.752 109 E HN 0.408 nan 8.360 nan 0.000 0.466 110 W N 1.129 122.158 121.300 -0.451 0.000 2.378 110 W HA -0.020 4.640 4.660 0.001 0.000 0.313 110 W C 2.613 178.498 176.519 -1.056 0.000 1.197 110 W CA 1.061 57.967 57.345 -0.731 0.000 1.304 110 W CB -0.994 28.194 29.460 -0.453 0.000 1.148 110 W HN 0.046 nan 8.180 nan 0.000 0.494 111 A N -0.232 122.424 122.820 -0.274 0.000 1.933 111 A HA -0.251 4.070 4.320 0.001 0.000 0.218 111 A C 1.734 179.226 177.584 -0.154 0.000 1.175 111 A CA 2.262 54.213 52.037 -0.143 0.000 0.628 111 A CB -1.052 17.954 19.000 0.010 0.000 0.814 111 A HN 0.318 nan 8.150 nan 0.000 0.444 112 D N -0.476 119.827 120.400 -0.161 0.000 2.097 112 D HA -0.169 4.471 4.640 0.001 0.000 0.195 112 D C 1.779 178.014 176.300 -0.108 0.000 0.989 112 D CA 1.456 55.395 54.000 -0.102 0.000 0.827 112 D CB -0.225 40.521 40.800 -0.090 0.000 0.966 112 D HN 0.253 nan 8.370 nan 0.000 0.456 113 L N -0.301 120.795 121.223 -0.212 0.000 2.042 113 L HA -0.085 4.255 4.340 0.001 0.000 0.210 113 L C 2.064 178.918 176.870 -0.026 0.000 1.076 113 L CA 1.728 56.467 54.840 -0.169 0.000 0.749 113 L CB -0.934 40.955 42.059 -0.283 0.000 0.893 113 L HN 0.191 nan 8.230 nan 0.000 0.432 114 F N -0.414 119.525 119.950 -0.018 0.000 2.234 114 F HA -0.165 4.363 4.527 0.001 0.000 0.299 114 F C 2.563 178.341 175.800 -0.037 0.000 1.087 114 F CA 0.991 58.956 58.000 -0.058 0.000 1.340 114 F CB -0.339 38.615 39.000 -0.075 0.000 1.031 114 F HN 0.103 nan 8.300 nan 0.000 0.500 115 K N 1.195 121.685 120.400 0.149 0.000 2.103 115 K HA -0.145 4.176 4.320 0.001 0.000 0.204 115 K C 1.926 178.587 176.600 0.101 0.000 1.052 115 K CA 1.085 57.431 56.287 0.099 0.000 0.945 115 K CB 0.006 32.540 32.500 0.057 0.000 0.722 115 K HN 0.080 nan 8.250 nan 0.000 0.443 116 K N 0.058 120.509 120.400 0.084 0.000 2.147 116 K HA -0.056 4.264 4.320 0.001 0.000 0.205 116 K C 1.751 178.438 176.600 0.145 0.000 1.049 116 K CA 1.204 57.544 56.287 0.088 0.000 0.936 116 K CB -0.027 32.505 32.500 0.055 0.000 0.722 116 K HN 0.189 nan 8.250 nan 0.000 0.446 117 A N -0.187 122.747 122.820 0.189 0.000 2.209 117 A HA 0.105 4.426 4.320 0.001 0.000 0.212 117 A C 1.450 179.303 177.584 0.448 0.000 1.158 117 A CA 1.122 53.333 52.037 0.290 0.000 0.742 117 A CB -0.483 18.709 19.000 0.319 0.000 0.790 117 A HN 0.438 nan 8.150 nan 0.000 0.472 118 G N -2.356 106.653 108.800 0.349 0.000 2.157 118 G HA2 0.100 4.061 3.960 0.001 0.000 0.239 118 G HA3 0.100 4.061 3.960 0.001 0.000 0.239 118 G C 0.413 175.601 174.900 0.479 0.000 0.982 118 G CA 0.305 45.684 45.100 0.466 0.000 0.650 118 G HN 1.575 nan 8.290 nan 0.000 0.527 119 A N -0.260 122.560 122.820 -0.001 0.000 2.407 119 A HA 0.680 5.001 4.320 0.001 0.000 0.248 119 A C 1.182 178.688 177.584 -0.131 0.000 1.082 119 A CA 0.570 52.278 52.037 -0.548 0.000 0.785 119 A CB 0.447 18.894 19.000 -0.921 0.000 1.020 119 A HN 0.187 nan 8.150 nan 0.000 0.489 120 K N 0.184 120.540 120.400 -0.073 0.000 2.402 120 K HA 0.198 4.519 4.320 0.001 0.000 0.204 120 K C -0.918 175.826 176.600 0.240 0.000 1.056 120 K CA 0.410 56.766 56.287 0.115 0.000 1.069 120 K CB 0.137 32.767 32.500 0.217 0.000 0.888 120 K HN 0.795 nan 8.250 nan 0.000 0.546 121 Y N -3.359 116.931 120.300 -0.016 0.000 2.656 121 Y HA 0.649 5.199 4.550 0.001 0.000 0.334 121 Y C -1.062 174.805 175.900 -0.055 0.000 1.179 121 Y CA -1.501 56.620 58.100 0.035 0.000 1.050 121 Y CB 1.140 39.708 38.460 0.181 0.000 1.308 121 Y HN -0.306 nan 8.280 nan 0.000 0.456 122 V N 3.036 123.032 119.914 0.137 0.000 2.888 122 V HA 0.574 4.694 4.120 0.001 0.000 0.309 122 V C -0.854 175.245 176.094 0.009 0.000 1.114 122 V CA -0.857 61.433 62.300 -0.016 0.000 0.940 122 V CB 2.083 33.966 31.823 0.101 0.000 1.021 122 V HN 0.734 nan 8.190 nan 0.000 0.426 123 I N 5.869 126.426 120.570 -0.021 0.000 2.540 123 I HA 0.374 4.544 4.170 0.001 0.000 0.280 123 I C -2.738 173.494 176.117 0.192 0.000 1.083 123 I CA -1.459 59.849 61.300 0.015 0.000 1.080 123 I CB 2.693 40.721 38.000 0.046 0.000 1.205 123 I HN 0.419 nan 8.210 nan 0.000 0.459 124 P HA 0.195 nan 4.420 nan 0.000 0.284 124 P C -0.323 177.083 177.300 0.175 0.000 1.258 124 P CA -0.301 62.937 63.100 0.231 0.000 0.824 124 P CB 1.106 33.042 31.700 0.394 0.000 1.038 125 T N -1.567 112.988 114.554 0.001 0.000 2.769 125 T HA 0.132 4.482 4.350 0.001 0.000 0.293 125 T C 1.458 176.316 174.700 0.262 0.000 0.931 125 T CA -0.032 62.041 62.100 -0.045 0.000 1.139 125 T CB -0.636 67.998 68.868 -0.390 0.000 0.881 125 T HN 0.539 nan 8.240 nan 0.000 0.532 126 T N -0.121 114.671 114.554 0.397 0.000 3.014 126 T HA 0.127 4.478 4.350 0.001 0.000 0.263 126 T C 0.541 175.582 174.700 0.567 0.000 1.078 126 T CA 0.215 62.587 62.100 0.453 0.000 1.135 126 T CB 0.005 69.065 68.868 0.320 0.000 0.895 126 T HN 0.669 nan 8.240 nan 0.000 0.480 127 K N 0.480 121.146 120.400 0.444 0.000 2.619 127 K HA 0.224 4.544 4.320 0.001 0.000 0.251 127 K C -1.463 175.218 176.600 0.136 0.000 0.987 127 K CA -0.703 55.739 56.287 0.258 0.000 0.844 127 K CB 1.455 34.034 32.500 0.132 0.000 1.237 127 K HN 0.280 nan 8.250 nan 0.000 0.447 128 H N 1.773 120.894 119.070 0.086 0.000 2.580 128 H HA 0.207 4.763 4.556 0.001 0.000 0.324 128 H C 0.851 176.045 175.328 -0.223 0.000 1.436 128 H CA 0.024 56.017 56.048 -0.092 0.000 1.464 128 H CB 1.011 30.676 29.762 -0.162 0.000 1.752 128 H HN 0.699 nan 8.280 nan 0.000 0.726 129 H N 0.256 118.986 119.070 -0.566 0.000 2.460 129 H HA -0.154 4.403 4.556 0.001 0.000 0.297 129 H C 1.350 176.070 175.328 -1.014 0.000 1.103 129 H CA 1.489 56.889 56.048 -1.079 0.000 1.292 129 H CB -0.407 28.155 29.762 -2.000 0.000 1.376 129 H HN 0.575 nan 8.280 nan 0.000 0.531 130 D N -0.526 119.727 120.400 -0.244 0.000 2.363 130 D HA 0.014 4.654 4.640 0.001 0.000 0.226 130 D C 1.725 178.314 176.300 0.482 0.000 1.020 130 D CA 0.834 55.031 54.000 0.329 0.000 0.892 130 D CB -0.540 40.658 40.800 0.663 0.000 0.900 130 D HN 0.424 nan 8.370 nan 0.000 0.531 131 G N -0.157 108.834 108.800 0.319 0.000 2.168 131 G HA2 -0.315 3.645 3.960 0.001 0.000 0.263 131 G HA3 -0.315 3.645 3.960 0.001 0.000 0.263 131 G C -0.046 175.163 174.900 0.515 0.000 0.977 131 G CA 0.175 45.535 45.100 0.434 0.000 0.659 131 G HN 0.453 nan 8.290 nan 0.000 0.533 132 F N 2.011 122.108 119.950 0.246 0.000 2.467 132 F HA 0.554 5.082 4.527 0.001 0.000 0.362 132 F C 0.830 176.598 175.800 -0.053 0.000 1.090 132 F CA -0.941 56.925 58.000 -0.224 0.000 1.202 132 F CB 0.473 39.173 39.000 -0.501 0.000 1.113 132 F HN 0.180 nan 8.300 nan 0.000 0.541 133 C N 7.400 126.180 119.300 -0.867 0.000 2.350 133 C HA 0.319 4.780 4.460 0.001 0.000 0.348 133 C C 1.217 175.838 174.990 -0.615 0.000 1.260 133 C CA -0.979 57.700 59.018 -0.565 0.000 1.966 133 C CB 0.649 27.919 27.740 -0.782 0.000 2.380 133 C HN 0.753 nan 8.230 nan 0.000 0.535 134 L N 1.969 123.184 121.223 -0.013 0.000 2.653 134 L HA 0.193 4.534 4.340 0.001 0.000 0.232 134 L C -0.020 177.017 176.870 0.277 0.000 1.169 134 L CA 0.348 55.232 54.840 0.073 0.000 0.951 134 L CB -0.912 41.260 42.059 0.188 0.000 1.181 134 L HN 0.889 nan 8.230 nan 0.000 0.460 135 W N -2.153 119.139 121.300 -0.013 0.000 3.029 135 W HA 0.661 5.321 4.660 0.001 0.000 0.339 135 W C 0.347 176.896 176.519 0.050 0.000 1.198 135 W CA -1.356 56.038 57.345 0.083 0.000 1.148 135 W CB 0.744 30.343 29.460 0.233 0.000 1.451 135 W HN -0.094 nan 8.180 nan 0.000 0.564 136 G N 2.034 110.920 108.800 0.143 0.000 3.101 136 G HA2 0.295 4.255 3.960 0.001 0.000 0.272 136 G HA3 0.295 4.255 3.960 0.001 0.000 0.272 136 G C -0.046 174.746 174.900 -0.180 0.000 0.801 136 G CA -0.043 45.018 45.100 -0.066 0.000 1.978 136 G HN 0.614 nan 8.290 nan 0.000 0.591 137 T N 0.027 114.186 114.554 -0.658 0.000 2.900 137 T HA 0.141 4.492 4.350 0.001 0.000 0.307 137 T C 1.611 176.144 174.700 -0.278 0.000 1.065 137 T CA -0.021 61.780 62.100 -0.499 0.000 1.105 137 T CB 0.477 68.861 68.868 -0.807 0.000 0.979 137 T HN 0.586 nan 8.240 nan 0.000 0.544 138 K N 2.372 122.556 120.400 -0.360 0.000 2.387 138 K HA 0.109 4.430 4.320 0.001 0.000 0.198 138 K C 0.356 176.656 176.600 -0.500 0.000 1.022 138 K CA 0.262 56.285 56.287 -0.439 0.000 1.128 138 K CB 0.144 32.353 32.500 -0.484 0.000 0.853 138 K HN 0.680 nan 8.250 nan 0.000 0.523 139 Y N 0.671 121.021 120.300 0.084 0.000 2.449 139 Y HA 0.186 4.737 4.550 0.001 0.000 0.254 139 Y C 0.607 176.664 175.900 0.261 0.000 1.140 139 Y CA -0.428 57.794 58.100 0.205 0.000 1.272 139 Y CB 1.381 40.012 38.460 0.285 0.000 1.114 139 Y HN 0.021 nan 8.280 nan 0.000 0.525 140 T N -0.989 113.698 114.554 0.222 0.000 2.889 140 T HA 0.172 4.523 4.350 0.001 0.000 0.315 140 T C -0.464 174.273 174.700 0.061 0.000 1.291 140 T CA -0.611 61.599 62.100 0.183 0.000 1.028 140 T CB 1.288 70.338 68.868 0.303 0.000 1.235 140 T HN -0.041 nan 8.240 nan 0.000 0.491 141 D N 1.504 121.955 120.400 0.086 0.000 2.354 141 D HA 0.099 4.740 4.640 0.001 0.000 0.209 141 D C 0.353 176.748 176.300 0.159 0.000 1.015 141 D CA 0.304 54.348 54.000 0.074 0.000 0.867 141 D CB 0.110 40.953 40.800 0.073 0.000 0.933 141 D HN 0.381 nan 8.370 nan 0.000 0.520 142 F N 3.158 123.107 119.950 -0.001 0.000 2.659 142 F HA 0.173 4.700 4.527 0.001 0.000 0.360 142 F C 0.044 175.726 175.800 -0.196 0.000 1.218 142 F CA -0.882 57.162 58.000 0.073 0.000 1.317 142 F CB -0.939 38.148 39.000 0.144 0.000 1.697 142 F HN -0.153 nan 8.300 nan 0.000 0.637 143 N N -1.506 116.999 118.700 -0.326 0.000 2.525 143 N HA 0.222 4.962 4.740 0.001 0.000 0.270 143 N C 0.300 175.542 175.510 -0.447 0.000 1.321 143 N CA -0.231 52.367 53.050 -0.754 0.000 0.797 143 N CB 0.929 39.107 38.487 -0.515 0.000 1.529 143 N HN -0.082 nan 8.380 nan 0.000 0.491 144 S N -0.737 114.689 115.700 -0.458 0.000 2.474 144 S HA -0.091 4.380 4.470 0.001 0.000 0.235 144 S C 1.334 175.886 174.600 -0.079 0.000 0.997 144 S CA 0.841 58.991 58.200 -0.084 0.000 0.949 144 S CB -0.544 62.584 63.200 -0.119 0.000 0.766 144 S HN 0.366 nan 8.310 nan 0.000 0.517 145 V N 1.781 121.642 119.914 -0.088 0.000 2.407 145 V HA -0.015 4.105 4.120 0.001 0.000 0.245 145 V C 2.523 178.599 176.094 -0.030 0.000 1.041 145 V CA 1.669 63.942 62.300 -0.045 0.000 1.040 145 V CB -0.420 31.384 31.823 -0.032 0.000 0.671 145 V HN 0.508 nan 8.190 nan 0.000 0.455 146 K N -0.948 119.435 120.400 -0.027 0.000 2.314 146 K HA 0.108 4.428 4.320 0.001 0.000 0.198 146 K C 0.993 177.613 176.600 0.035 0.000 1.045 146 K CA 0.306 56.596 56.287 0.004 0.000 0.988 146 K CB 0.280 32.787 32.500 0.011 0.000 0.783 146 K HN 0.286 nan 8.250 nan 0.000 0.484 147 R N -0.770 119.768 120.500 0.064 0.000 3.151 147 R HA 0.292 4.633 4.340 0.001 0.000 0.231 147 R C 1.160 177.473 176.300 0.022 0.000 1.511 147 R CA -0.063 56.086 56.100 0.080 0.000 1.047 147 R CB -0.593 29.818 30.300 0.185 0.000 1.565 147 R HN 0.139 nan 8.270 nan 0.000 0.513 148 G N 1.883 110.671 108.800 -0.020 0.000 3.087 148 G HA2 -0.335 3.626 3.960 0.001 0.000 0.316 148 G HA3 -0.335 3.626 3.960 0.001 0.000 0.316 148 G C -1.329 173.458 174.900 -0.190 0.000 0.941 148 G CA 1.364 46.396 45.100 -0.113 0.000 0.798 148 G HN 0.454 nan 8.290 nan 0.000 1.045 149 P HA 0.048 nan 4.420 nan 0.000 0.223 149 P C 0.581 177.780 177.300 -0.168 0.000 1.144 149 P CA 1.322 64.216 63.100 -0.343 0.000 0.783 149 P CB 0.049 31.402 31.700 -0.577 0.000 0.771 150 K N -0.710 119.621 120.400 -0.114 0.000 3.278 150 K HA -0.197 4.123 4.320 0.001 0.000 0.270 150 K C 0.067 176.643 176.600 -0.039 0.000 0.955 150 K CA 0.902 57.156 56.287 -0.055 0.000 0.723 150 K CB -1.612 30.866 32.500 -0.037 0.000 1.382 150 K HN 0.417 nan 8.250 nan 0.000 0.461 151 R N 0.237 120.705 120.500 -0.054 0.000 2.664 151 R HA 0.130 4.471 4.340 0.001 0.000 0.266 151 R C -1.642 174.663 176.300 0.009 0.000 1.046 151 R CA -0.713 55.384 56.100 -0.005 0.000 0.885 151 R CB 1.139 31.447 30.300 0.014 0.000 1.254 151 R HN 0.014 nan 8.270 nan 0.000 0.465 152 D N 4.458 124.909 120.400 0.085 0.000 2.470 152 D HA 0.127 4.768 4.640 0.001 0.000 0.226 152 D C 1.066 177.463 176.300 0.162 0.000 1.196 152 D CA -0.084 54.003 54.000 0.145 0.000 0.979 152 D CB 0.475 41.398 40.800 0.205 0.000 1.059 152 D HN 0.523 nan 8.370 nan 0.000 0.515 153 L N 2.582 123.858 121.223 0.089 0.000 2.017 153 L HA -0.167 4.173 4.340 0.001 0.000 0.208 153 L C 2.402 179.414 176.870 0.238 0.000 1.073 153 L CA 0.617 55.502 54.840 0.074 0.000 0.745 153 L CB -0.481 41.487 42.059 -0.153 0.000 0.894 153 L HN 0.273 nan 8.230 nan 0.000 0.432 154 V N 0.576 120.600 119.914 0.184 0.000 2.255 154 V HA -0.245 3.875 4.120 0.001 0.000 0.247 154 V C 2.660 178.627 176.094 -0.212 0.000 1.051 154 V CA 2.194 64.539 62.300 0.075 0.000 1.018 154 V CB -1.398 30.401 31.823 -0.041 0.000 0.641 154 V HN 0.583 nan 8.190 nan 0.000 0.445 155 G N -0.595 108.066 108.800 -0.231 0.000 2.418 155 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 155 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 155 G C 1.234 176.120 174.900 -0.024 0.000 1.158 155 G CA 1.007 46.031 45.100 -0.127 0.000 0.771 155 G HN 0.505 nan 8.290 nan 0.000 0.545 156 D N -0.086 120.376 120.400 0.102 0.000 2.144 156 D HA -0.065 4.576 4.640 0.001 0.000 0.200 156 D C 2.329 178.655 176.300 0.043 0.000 0.978 156 D CA 0.395 54.455 54.000 0.099 0.000 0.833 156 D CB -0.196 40.739 40.800 0.225 0.000 0.961 156 D HN 0.256 nan 8.370 nan 0.000 0.470 157 L N 0.620 121.957 121.223 0.189 0.000 2.109 157 L HA 0.069 4.410 4.340 0.001 0.000 0.207 157 L C 2.024 178.822 176.870 -0.121 0.000 1.086 157 L CA 1.343 56.298 54.840 0.193 0.000 0.760 157 L CB -0.669 41.720 42.059 0.550 0.000 0.910 157 L HN -0.046 nan 8.230 nan 0.000 0.437 158 A N -0.487 122.018 122.820 -0.524 0.000 1.933 158 A HA -0.262 4.059 4.320 0.001 0.000 0.218 158 A C 2.462 179.790 177.584 -0.426 0.000 1.175 158 A CA 1.984 53.368 52.037 -1.089 0.000 0.628 158 A CB -0.598 17.641 19.000 -1.268 0.000 0.814 158 A HN 0.497 nan 8.150 nan 0.000 0.444 159 K N -0.414 119.853 120.400 -0.223 0.000 2.025 159 K HA -0.064 4.257 4.320 0.001 0.000 0.207 159 K C 2.200 178.745 176.600 -0.093 0.000 1.049 159 K CA 1.145 57.365 56.287 -0.112 0.000 0.933 159 K CB -0.313 32.145 32.500 -0.069 0.000 0.714 159 K HN 0.366 nan 8.250 nan 0.000 0.438 160 A N 0.682 123.444 122.820 -0.097 0.000 1.902 160 A HA -0.104 4.217 4.320 0.001 0.000 0.217 160 A C 2.241 179.821 177.584 -0.007 0.000 1.181 160 A CA 1.535 53.528 52.037 -0.073 0.000 0.623 160 A CB -0.635 18.295 19.000 -0.116 0.000 0.818 160 A HN 0.171 nan 8.150 nan 0.000 0.443 161 V N -0.179 119.759 119.914 0.041 0.000 2.261 161 V HA -0.270 3.851 4.120 0.001 0.000 0.246 161 V C 2.655 178.801 176.094 0.086 0.000 1.047 161 V CA 2.367 64.754 62.300 0.144 0.000 1.015 161 V CB -0.773 31.233 31.823 0.305 0.000 0.642 161 V HN 0.531 nan 8.190 nan 0.000 0.446 162 R N -0.327 120.191 120.500 0.030 0.000 2.120 162 R HA -0.167 4.173 4.340 0.001 0.000 0.234 162 R C 2.278 178.578 176.300 0.001 0.000 1.123 162 R CA 1.575 57.685 56.100 0.017 0.000 0.975 162 R CB -0.235 30.058 30.300 -0.010 0.000 0.866 162 R HN 0.621 nan 8.270 nan 0.000 0.446 163 E N -0.054 120.139 120.200 -0.013 0.000 2.150 163 E HA -0.112 4.238 4.350 0.001 0.000 0.193 163 E C 1.539 178.133 176.600 -0.010 0.000 0.985 163 E CA 1.015 57.404 56.400 -0.018 0.000 0.814 163 E CB 0.028 29.708 29.700 -0.034 0.000 0.752 163 E HN 0.341 nan 8.360 nan 0.000 0.466 164 A N 0.260 123.083 122.820 0.004 0.000 2.235 164 A HA 0.198 4.519 4.320 0.001 0.000 0.208 164 A C 1.656 179.250 177.584 0.018 0.000 1.172 164 A CA 0.792 52.836 52.037 0.011 0.000 0.786 164 A CB -0.563 18.454 19.000 0.029 0.000 0.804 164 A HN 0.332 nan 8.150 nan 0.000 0.479 165 G N -1.359 107.450 108.800 0.014 0.000 2.143 165 G HA2 -0.218 3.742 3.960 0.001 0.000 0.248 165 G HA3 -0.218 3.742 3.960 0.001 0.000 0.248 165 G C 0.044 174.954 174.900 0.017 0.000 0.991 165 G CA 0.513 45.617 45.100 0.007 0.000 0.689 165 G HN 0.473 nan 8.290 nan 0.000 0.522 166 L N -0.249 121.006 121.223 0.053 0.000 2.352 166 L HA 0.641 4.981 4.340 0.001 0.000 0.269 166 L C 1.096 178.015 176.870 0.081 0.000 1.034 166 L CA -1.339 53.547 54.840 0.077 0.000 0.806 166 L CB 0.790 42.926 42.059 0.129 0.000 1.244 166 L HN -0.023 nan 8.230 nan 0.000 0.447 167 R N 0.750 121.281 120.500 0.050 0.000 2.679 167 R HA 0.309 4.650 4.340 0.001 0.000 0.269 167 R C -1.016 175.438 176.300 0.257 0.000 1.076 167 R CA -0.134 55.961 56.100 -0.008 0.000 1.160 167 R CB 0.614 30.703 30.300 -0.351 0.000 1.054 167 R HN 0.337 nan 8.270 nan 0.000 0.507 168 F N -0.152 119.867 119.950 0.115 0.000 2.507 168 F HA 0.537 5.064 4.527 0.001 0.000 0.328 168 F C -0.077 175.883 175.800 0.268 0.000 1.136 168 F CA -0.433 57.684 58.000 0.195 0.000 0.930 168 F CB 1.783 40.876 39.000 0.155 0.000 1.166 168 F HN 0.564 nan 8.300 nan 0.000 0.436 169 G N 3.126 111.692 108.800 -0.391 0.000 3.013 169 G HA2 0.697 4.658 3.960 0.001 0.000 0.278 169 G HA3 0.697 4.658 3.960 0.001 0.000 0.278 169 G C -1.720 172.934 174.900 -0.410 0.000 1.353 169 G CA -0.585 44.438 45.100 -0.128 0.000 1.043 169 G HN 1.106 nan 8.290 nan 0.000 0.523 170 V N -2.583 117.327 119.914 -0.007 0.000 2.971 170 V HA 0.770 4.891 4.120 0.001 0.000 0.309 170 V C -1.438 174.847 176.094 0.319 0.000 1.130 170 V CA -1.262 61.087 62.300 0.081 0.000 0.964 170 V CB 1.347 33.223 31.823 0.088 0.000 1.029 170 V HN 0.951 nan 8.190 nan 0.000 0.427 171 Y N 3.951 124.388 120.300 0.228 0.000 2.377 171 Y HA 0.805 5.356 4.550 0.001 0.000 0.339 171 Y C -1.508 174.571 175.900 0.299 0.000 1.011 171 Y CA -0.949 57.343 58.100 0.320 0.000 1.093 171 Y CB 2.036 40.611 38.460 0.192 0.000 1.201 171 Y HN 0.897 nan 8.280 nan 0.000 0.455 172 Y N 3.929 124.001 120.300 -0.380 0.000 2.433 172 Y HA 0.334 4.884 4.550 0.001 0.000 0.337 172 Y C -0.940 174.739 175.900 -0.368 0.000 1.026 172 Y CA -0.901 57.114 58.100 -0.141 0.000 1.037 172 Y CB 2.023 40.512 38.460 0.049 0.000 1.245 172 Y HN 0.601 nan 8.280 nan 0.000 0.443 173 S N 3.970 119.312 115.700 -0.597 0.000 3.036 173 S HA 0.277 4.748 4.470 0.001 0.000 0.301 173 S C 1.014 175.422 174.600 -0.319 0.000 1.205 173 S CA 0.351 58.323 58.200 -0.380 0.000 0.999 173 S CB -0.460 62.592 63.200 -0.246 0.000 1.337 173 S HN 1.046 nan 8.310 nan 0.000 0.515 174 G N 3.118 111.904 108.800 -0.023 0.000 2.430 174 G HA2 0.026 3.986 3.960 0.001 0.000 0.216 174 G HA3 0.026 3.986 3.960 0.001 0.000 0.216 174 G C 1.256 176.156 174.900 0.001 0.000 1.146 174 G CA 0.460 45.608 45.100 0.080 0.000 0.793 174 G HN 0.741 nan 8.290 nan 0.000 0.537 175 G N -0.348 108.442 108.800 -0.017 0.000 2.572 175 G HA2 0.293 4.254 3.960 0.001 0.000 0.216 175 G HA3 0.293 4.254 3.960 0.001 0.000 0.216 175 G C 0.414 175.219 174.900 -0.159 0.000 1.133 175 G CA 0.108 45.179 45.100 -0.048 0.000 0.791 175 G HN 0.358 nan 8.290 nan 0.000 0.538 176 L N -0.093 120.989 121.223 -0.235 0.000 2.422 176 L HA 0.510 4.850 4.340 0.001 0.000 0.264 176 L C -1.795 174.831 176.870 -0.407 0.000 0.984 176 L CA -0.880 53.727 54.840 -0.389 0.000 0.819 176 L CB 2.922 44.604 42.059 -0.628 0.000 1.330 176 L HN -0.149 nan 8.230 nan 0.000 0.410 177 D N 1.569 121.717 120.400 -0.421 0.000 2.354 177 D HA 0.125 4.766 4.640 0.001 0.000 0.230 177 D C 0.040 176.372 176.300 0.054 0.000 1.361 177 D CA -0.346 53.537 54.000 -0.195 0.000 0.992 177 D CB 0.964 41.743 40.800 -0.035 0.000 1.409 177 D HN 0.364 nan 8.370 nan 0.000 0.573 178 W N 2.551 123.888 121.300 0.062 0.000 2.632 178 W HA 0.011 4.671 4.660 0.001 0.000 0.248 178 W C 1.642 178.192 176.519 0.052 0.000 1.259 178 W CA -0.018 57.341 57.345 0.022 0.000 1.288 178 W CB -0.348 29.100 29.460 -0.021 0.000 1.136 178 W HN 0.344 nan 8.180 nan 0.000 0.640 179 R N -0.602 120.083 120.500 0.308 0.000 2.299 179 R HA -0.007 4.334 4.340 0.001 0.000 0.197 179 R C 0.652 176.888 176.300 -0.107 0.000 0.971 179 R CA 0.594 56.720 56.100 0.045 0.000 1.030 179 R CB -0.719 29.554 30.300 -0.044 0.000 0.932 179 R HN 0.189 nan 8.270 nan 0.000 0.477 180 F N -0.136 119.797 119.950 -0.029 0.000 2.683 180 F HA 0.150 4.677 4.527 0.001 0.000 0.306 180 F C 0.828 176.589 175.800 -0.065 0.000 1.102 180 F CA -0.287 57.666 58.000 -0.079 0.000 1.244 180 F CB 0.561 39.458 39.000 -0.172 0.000 1.029 180 F HN -0.202 nan 8.300 nan 0.000 0.545 181 T N -4.332 110.300 114.554 0.130 0.000 2.883 181 T HA 0.489 4.839 4.350 0.001 0.000 0.296 181 T C 0.593 175.302 174.700 0.015 0.000 1.117 181 T CA 0.082 62.218 62.100 0.059 0.000 1.006 181 T CB 2.090 70.988 68.868 0.049 0.000 1.191 181 T HN -0.018 nan 8.240 nan 0.000 0.508 182 T N -2.578 111.963 114.554 -0.022 0.000 2.987 182 T HA 0.314 4.664 4.350 0.001 0.000 0.248 182 T C 0.396 175.044 174.700 -0.087 0.000 0.997 182 T CA -0.000 62.072 62.100 -0.047 0.000 1.013 182 T CB -0.123 68.727 68.868 -0.030 0.000 1.077 182 T HN 0.597 nan 8.240 nan 0.000 0.483 183 E N 4.056 124.205 120.200 -0.084 0.000 2.313 183 E HA 0.425 4.776 4.350 0.001 0.000 0.276 183 E C -2.414 174.072 176.600 -0.190 0.000 1.031 183 E CA -2.339 53.996 56.400 -0.108 0.000 0.857 183 E CB 0.983 30.646 29.700 -0.063 0.000 1.040 183 E HN 0.282 nan 8.360 nan 0.000 0.408 184 P HA 0.213 nan 4.420 nan 0.000 0.278 184 P C -0.525 176.590 177.300 -0.307 0.000 1.258 184 P CA -0.540 62.367 63.100 -0.322 0.000 0.811 184 P CB 0.805 32.313 31.700 -0.320 0.000 1.063 185 I N 2.477 122.835 120.570 -0.354 0.000 2.452 185 I HA 0.161 4.331 4.170 0.001 0.000 0.287 185 I C 1.785 177.522 176.117 -0.633 0.000 1.079 185 I CA 0.251 61.262 61.300 -0.481 0.000 1.387 185 I CB 0.036 37.722 38.000 -0.523 0.000 1.404 185 I HN 0.444 nan 8.210 nan 0.000 0.522 186 R N 4.272 124.424 120.500 -0.580 0.000 2.221 186 R HA 0.195 4.536 4.340 0.001 0.000 0.195 186 R C -0.523 175.232 176.300 -0.910 0.000 0.956 186 R CA 0.432 56.048 56.100 -0.807 0.000 1.064 186 R CB 0.591 30.551 30.300 -0.566 0.000 1.049 186 R HN 0.463 nan 8.270 nan 0.000 0.534 187 Y N -1.334 118.851 120.300 -0.191 0.000 2.581 187 Y HA 0.278 4.829 4.550 0.001 0.000 0.345 187 Y C -1.921 173.946 175.900 -0.056 0.000 1.036 187 Y CA -2.672 55.469 58.100 0.069 0.000 1.042 187 Y CB 1.631 40.170 38.460 0.133 0.000 1.289 187 Y HN -0.225 nan 8.280 nan 0.000 0.471 188 P HA -0.176 nan 4.420 nan 0.000 0.216 188 P C 0.644 178.009 177.300 0.109 0.000 1.150 188 P CA 1.827 65.062 63.100 0.226 0.000 0.843 188 P CB 0.375 32.212 31.700 0.229 0.000 0.787 189 E N -0.575 119.715 120.200 0.149 0.000 2.160 189 E HA -0.182 4.168 4.350 0.001 0.000 0.195 189 E C 1.684 178.351 176.600 0.111 0.000 0.991 189 E CA 1.159 57.644 56.400 0.141 0.000 0.810 189 E CB -0.953 28.845 29.700 0.163 0.000 0.742 189 E HN 0.322 nan 8.360 nan 0.000 0.466 190 D N 0.382 120.781 120.400 -0.002 0.000 2.158 190 D HA -0.170 4.470 4.640 0.001 0.000 0.197 190 D C 1.858 177.883 176.300 -0.459 0.000 0.995 190 D CA 0.767 54.538 54.000 -0.380 0.000 0.846 190 D CB -0.235 40.361 40.800 -0.340 0.000 0.941 190 D HN 0.226 nan 8.370 nan 0.000 0.456 191 L N 1.161 122.259 121.223 -0.209 0.000 2.263 191 L HA -0.196 4.145 4.340 0.001 0.000 0.216 191 L C 2.472 179.298 176.870 -0.073 0.000 1.111 191 L CA 1.263 56.032 54.840 -0.119 0.000 0.773 191 L CB -0.518 41.531 42.059 -0.017 0.000 0.906 191 L HN 0.090 nan 8.230 nan 0.000 0.439 192 S N -0.581 115.111 115.700 -0.012 0.000 2.453 192 S HA -0.161 4.309 4.470 0.001 0.000 0.231 192 S C 1.539 176.219 174.600 0.133 0.000 1.005 192 S CA 0.948 59.196 58.200 0.081 0.000 0.949 192 S CB -0.245 63.044 63.200 0.148 0.000 0.774 192 S HN 0.697 nan 8.310 nan 0.000 0.510 193 Y N -0.942 119.354 120.300 -0.007 0.000 2.437 193 Y HA 0.560 5.110 4.550 0.001 0.000 0.266 193 Y C 0.456 176.343 175.900 -0.021 0.000 1.077 193 Y CA -1.068 57.024 58.100 -0.013 0.000 1.235 193 Y CB 0.224 38.679 38.460 -0.008 0.000 1.303 193 Y HN 0.090 nan 8.280 nan 0.000 0.536 194 I N 4.726 125.010 120.570 -0.477 0.000 2.224 194 I HA 0.314 4.484 4.170 0.001 0.000 0.293 194 I C -0.435 175.585 176.117 -0.162 0.000 1.155 194 I CA 0.001 61.118 61.300 -0.304 0.000 1.297 194 I CB -0.265 37.494 38.000 -0.402 0.000 1.487 194 I HN 0.190 nan 8.210 nan 0.000 0.564 195 R N 4.310 124.740 120.500 -0.116 0.000 2.817 195 R HA 0.409 4.749 4.340 0.001 0.000 0.268 195 R C -2.120 174.077 176.300 -0.171 0.000 1.027 195 R CA -1.763 54.245 56.100 -0.152 0.000 0.928 195 R CB 0.508 30.723 30.300 -0.141 0.000 1.228 195 R HN -0.065 nan 8.270 nan 0.000 0.469 196 P HA -0.161 nan 4.420 nan 0.000 0.214 196 P C -0.068 177.147 177.300 -0.141 0.000 1.163 196 P CA 1.447 64.334 63.100 -0.355 0.000 0.889 196 P CB 0.251 31.292 31.700 -1.099 0.000 0.790 197 N N -3.981 114.639 118.700 -0.133 0.000 2.951 197 N HA -0.127 4.614 4.740 0.001 0.000 0.218 197 N C 0.196 175.637 175.510 -0.115 0.000 0.858 197 N CA 1.877 54.873 53.050 -0.089 0.000 1.050 197 N CB -2.201 36.255 38.487 -0.052 0.000 1.012 197 N HN 0.375 nan 8.380 nan 0.000 0.611 198 T N -2.760 111.760 114.554 -0.057 0.000 2.874 198 T HA 0.455 4.806 4.350 0.001 0.000 0.281 198 T C 1.287 175.939 174.700 -0.081 0.000 0.994 198 T CA -0.379 61.691 62.100 -0.050 0.000 1.015 198 T CB 0.748 69.672 68.868 0.094 0.000 1.028 198 T HN 0.113 nan 8.240 nan 0.000 0.523 199 Y N -0.190 120.142 120.300 0.053 0.000 2.263 199 Y HA 0.009 4.559 4.550 0.001 0.000 0.292 199 Y C 2.817 178.735 175.900 0.031 0.000 1.130 199 Y CA 1.376 59.493 58.100 0.029 0.000 1.179 199 Y CB -0.212 38.259 38.460 0.019 0.000 0.998 199 Y HN 0.901 nan 8.280 nan 0.000 0.532 200 E N -0.081 120.247 120.200 0.214 0.000 2.049 200 E HA -0.343 4.008 4.350 0.001 0.000 0.198 200 E C 2.005 178.689 176.600 0.139 0.000 1.007 200 E CA 1.764 58.272 56.400 0.179 0.000 0.809 200 E CB -0.557 29.268 29.700 0.209 0.000 0.749 200 E HN 0.550 nan 8.360 nan 0.000 0.450 201 Y N 0.694 120.976 120.300 -0.030 0.000 2.224 201 Y HA -0.161 4.390 4.550 0.001 0.000 0.289 201 Y C 2.124 177.940 175.900 -0.140 0.000 1.146 201 Y CA 1.641 59.597 58.100 -0.240 0.000 1.182 201 Y CB -0.626 37.507 38.460 -0.546 0.000 0.983 201 Y HN 0.197 nan 8.280 nan 0.000 0.524 202 A N -0.022 122.652 122.820 -0.243 0.000 1.902 202 A HA -0.190 4.131 4.320 0.001 0.000 0.217 202 A C 1.976 179.463 177.584 -0.162 0.000 1.181 202 A CA 1.982 53.855 52.037 -0.273 0.000 0.623 202 A CB -0.793 18.160 19.000 -0.078 0.000 0.818 202 A HN 0.507 nan 8.150 nan 0.000 0.443 203 D N -1.552 118.819 120.400 -0.048 0.000 2.084 203 D HA -0.163 4.477 4.640 0.001 0.000 0.194 203 D C 1.711 178.011 176.300 0.000 0.000 0.990 203 D CA 1.626 55.634 54.000 0.012 0.000 0.826 203 D CB -0.625 40.198 40.800 0.038 0.000 0.971 203 D HN 0.536 nan 8.370 nan 0.000 0.453 204 Y N 1.786 121.973 120.300 -0.189 0.000 2.069 204 Y HA -0.323 4.227 4.550 0.001 0.000 0.278 204 Y C 2.256 178.012 175.900 -0.241 0.000 1.175 204 Y CA 2.138 60.113 58.100 -0.210 0.000 1.134 204 Y CB -0.625 37.753 38.460 -0.137 0.000 0.965 204 Y HN -0.032 nan 8.280 nan 0.000 0.498 205 A N -0.759 121.758 122.820 -0.506 0.000 1.902 205 A HA -0.246 4.075 4.320 0.001 0.000 0.217 205 A C 2.201 179.706 177.584 -0.133 0.000 1.181 205 A CA 1.706 53.438 52.037 -0.509 0.000 0.623 205 A CB -1.639 16.745 19.000 -1.028 0.000 0.818 205 A HN 0.735 nan 8.150 nan 0.000 0.443 206 Y N 0.996 121.267 120.300 -0.049 0.000 2.114 206 Y HA -0.216 4.334 4.550 0.001 0.000 0.284 206 Y C 2.246 178.087 175.900 -0.097 0.000 1.143 206 Y CA 2.350 60.526 58.100 0.127 0.000 1.135 206 Y CB -0.215 38.299 38.460 0.091 0.000 0.980 206 Y HN 0.259 nan 8.280 nan 0.000 0.499 207 K N -0.145 120.144 120.400 -0.185 0.000 2.103 207 K HA -0.222 4.099 4.320 0.001 0.000 0.207 207 K C 2.080 178.475 176.600 -0.341 0.000 1.048 207 K CA 1.831 57.864 56.287 -0.423 0.000 0.930 207 K CB -0.272 31.741 32.500 -0.813 0.000 0.716 207 K HN 0.546 nan 8.250 nan 0.000 0.444 208 Q N 0.393 120.007 119.800 -0.311 0.000 2.123 208 Q HA -0.072 4.269 4.340 0.001 0.000 0.199 208 Q C 2.214 178.119 176.000 -0.158 0.000 0.966 208 Q CA 0.937 56.713 55.803 -0.046 0.000 0.845 208 Q CB 0.109 28.824 28.738 -0.038 0.000 0.907 208 Q HN 0.107 nan 8.270 nan 0.000 0.439 209 V N 0.745 120.455 119.914 -0.341 0.000 2.453 209 V HA -0.224 3.897 4.120 0.001 0.000 0.247 209 V C 2.232 178.183 176.094 -0.237 0.000 1.048 209 V CA 1.135 63.248 62.300 -0.312 0.000 1.049 209 V CB -0.335 31.382 31.823 -0.177 0.000 0.672 209 V HN 0.404 nan 8.190 nan 0.000 0.457 210 M N -0.366 119.038 119.600 -0.327 0.000 2.149 210 M HA -0.203 4.277 4.480 0.001 0.000 0.261 210 M C 2.157 178.398 176.300 -0.099 0.000 1.064 210 M CA 1.686 56.800 55.300 -0.310 0.000 1.102 210 M CB -1.075 31.194 32.600 -0.552 0.000 1.369 210 M HN 0.491 nan 8.290 nan 0.000 0.408 211 E N 0.442 120.630 120.200 -0.020 0.000 2.051 211 E HA -0.167 4.184 4.350 0.001 0.000 0.192 211 E C 2.127 178.714 176.600 -0.022 0.000 0.991 211 E CA 0.962 57.425 56.400 0.104 0.000 0.799 211 E CB 0.021 29.948 29.700 0.379 0.000 0.748 211 E HN 0.454 nan 8.360 nan 0.000 0.449 212 L N 0.226 121.376 121.223 -0.121 0.000 2.083 212 L HA -0.168 4.172 4.340 0.001 0.000 0.209 212 L C 2.515 179.383 176.870 -0.003 0.000 1.083 212 L CA 0.579 55.331 54.840 -0.147 0.000 0.752 212 L CB -0.314 41.592 42.059 -0.255 0.000 0.899 212 L HN 0.096 nan 8.230 nan 0.000 0.433 213 V N -0.227 119.694 119.914 0.012 0.000 2.343 213 V HA -0.282 3.839 4.120 0.001 0.000 0.247 213 V C 2.084 178.248 176.094 0.116 0.000 1.051 213 V CA 1.903 64.279 62.300 0.127 0.000 1.036 213 V CB -0.465 31.476 31.823 0.197 0.000 0.654 213 V HN 0.434 nan 8.190 nan 0.000 0.451 214 D N -0.131 120.315 120.400 0.077 0.000 2.178 214 D HA -0.072 4.569 4.640 0.001 0.000 0.202 214 D C 2.075 178.318 176.300 -0.095 0.000 0.974 214 D CA 1.121 55.147 54.000 0.044 0.000 0.841 214 D CB -0.043 40.801 40.800 0.074 0.000 0.953 214 D HN 0.357 nan 8.370 nan 0.000 0.478 215 L N -1.205 119.851 121.223 -0.279 0.000 2.162 215 L HA -0.053 4.287 4.340 0.001 0.000 0.205 215 L C 1.266 177.663 176.870 -0.789 0.000 1.086 215 L CA 0.835 55.283 54.840 -0.655 0.000 0.778 215 L CB -0.035 41.332 42.059 -1.153 0.000 0.928 215 L HN 0.064 nan 8.230 nan 0.000 0.446 216 Y N -2.621 117.718 120.300 0.066 0.000 2.610 216 Y HA 0.287 4.837 4.550 0.001 0.000 0.254 216 Y C 0.364 176.349 175.900 0.141 0.000 1.110 216 Y CA -1.047 57.111 58.100 0.097 0.000 1.238 216 Y CB 0.569 39.121 38.460 0.153 0.000 1.322 216 Y HN -0.207 nan 8.280 nan 0.000 0.547 217 L N 2.299 123.655 121.223 0.222 0.000 3.965 217 L HA -0.196 4.144 4.340 0.001 0.000 0.476 217 L C -2.681 174.407 176.870 0.364 0.000 1.201 217 L CA -0.577 54.409 54.840 0.244 0.000 0.710 217 L CB -1.241 40.852 42.059 0.056 0.000 1.509 217 L HN -0.009 nan 8.230 nan 0.000 0.815 218 P HA 0.045 nan 4.420 nan 0.000 0.267 218 P C 0.593 178.276 177.300 0.639 0.000 1.201 218 P CA 0.067 63.468 63.100 0.502 0.000 0.775 218 P CB 0.487 32.401 31.700 0.358 0.000 0.854 219 D N -0.211 120.519 120.400 0.552 0.000 2.289 219 D HA 0.026 4.666 4.640 0.001 0.000 0.207 219 D C 0.232 176.923 176.300 0.653 0.000 0.966 219 D CA 1.164 55.548 54.000 0.640 0.000 0.868 219 D CB 0.319 41.349 40.800 0.383 0.000 0.943 219 D HN 0.090 nan 8.370 nan 0.000 0.514 220 V N 1.260 121.486 119.914 0.519 0.000 2.808 220 V HA 0.299 4.420 4.120 0.001 0.000 0.308 220 V C -0.464 175.844 176.094 0.357 0.000 1.099 220 V CA -0.754 61.816 62.300 0.450 0.000 0.920 220 V CB 2.878 34.972 31.823 0.451 0.000 1.014 220 V HN -0.111 nan 8.190 nan 0.000 0.425 221 L N 3.370 124.768 121.223 0.290 0.000 2.277 221 L HA 0.437 4.777 4.340 0.001 0.000 0.284 221 L C -1.165 175.929 176.870 0.374 0.000 1.028 221 L CA -0.054 54.938 54.840 0.253 0.000 0.835 221 L CB 1.264 43.386 42.059 0.105 0.000 1.215 221 L HN 0.729 nan 8.230 nan 0.000 0.425 222 W N 4.877 126.264 121.300 0.145 0.000 2.309 222 W HA 0.291 4.952 4.660 0.001 0.000 0.332 222 W C 0.320 176.683 176.519 -0.260 0.000 0.962 222 W CA -0.358 57.021 57.345 0.055 0.000 1.497 222 W CB 1.027 30.637 29.460 0.251 0.000 1.308 222 W HN 0.428 nan 8.180 nan 0.000 0.384 223 N N 2.866 121.231 118.700 -0.558 0.000 2.513 223 N HA 0.155 4.895 4.740 0.001 0.000 0.274 223 N C -1.071 174.126 175.510 -0.522 0.000 1.189 223 N CA 0.351 52.942 53.050 -0.764 0.000 0.975 223 N CB 0.958 38.404 38.487 -1.734 0.000 1.157 223 N HN 0.249 nan 8.380 nan 0.000 0.465 224 D N 1.636 121.832 120.400 -0.341 0.000 2.527 224 D HA 0.377 5.017 4.640 0.001 0.000 0.233 224 D C -0.209 176.067 176.300 -0.039 0.000 1.063 224 D CA -0.102 53.844 54.000 -0.090 0.000 0.880 224 D CB 0.839 41.730 40.800 0.153 0.000 1.457 224 D HN 0.508 nan 8.370 nan 0.000 0.475 225 M N 0.897 120.513 119.600 0.028 0.000 2.818 225 M HA -0.115 4.365 4.480 0.001 0.000 0.204 225 M C 0.590 176.901 176.300 0.019 0.000 0.552 225 M CA 1.082 56.402 55.300 0.033 0.000 0.687 225 M CB -2.579 30.020 32.600 -0.001 0.000 2.512 225 M HN 0.833 nan 8.290 nan 0.000 0.563 226 G N -0.273 108.533 108.800 0.011 0.000 2.829 226 G HA2 -0.189 3.771 3.960 0.001 0.000 0.628 226 G HA3 -0.189 3.771 3.960 0.001 0.000 0.628 226 G C -0.739 174.300 174.900 0.231 0.000 1.412 226 G CA -0.108 45.051 45.100 0.099 0.000 0.864 226 G HN 0.736 nan 8.290 nan 0.000 0.544 227 W N 1.435 122.789 121.300 0.090 0.000 2.666 227 W HA 0.553 5.214 4.660 0.001 0.000 0.334 227 W C -1.957 174.640 176.519 0.130 0.000 1.051 227 W CA -1.937 55.500 57.345 0.154 0.000 1.224 227 W CB 2.058 31.682 29.460 0.274 0.000 1.405 227 W HN 0.577 nan 8.180 nan 0.000 0.513 228 P HA -0.143 nan 4.420 nan 0.000 0.260 228 P C 0.463 177.811 177.300 0.079 0.000 1.172 228 P CA 0.856 63.904 63.100 -0.087 0.000 0.760 228 P CB 0.734 32.287 31.700 -0.245 0.000 0.773 229 E N 3.804 124.049 120.200 0.075 0.000 2.097 229 E HA -0.234 4.117 4.350 0.001 0.000 0.196 229 E C 1.456 178.118 176.600 0.103 0.000 1.000 229 E CA 1.834 58.296 56.400 0.102 0.000 0.804 229 E CB -0.312 29.419 29.700 0.051 0.000 0.740 229 E HN 0.389 nan 8.360 nan 0.000 0.454 230 K N -1.559 118.857 120.400 0.028 0.000 2.280 230 K HA -0.035 4.286 4.320 0.001 0.000 0.202 230 K C 1.668 178.345 176.600 0.127 0.000 1.047 230 K CA 1.070 57.377 56.287 0.034 0.000 0.942 230 K CB -0.028 32.388 32.500 -0.141 0.000 0.739 230 K HN 0.215 nan 8.250 nan 0.000 0.457 231 G N 0.095 109.008 108.800 0.189 0.000 3.159 231 G HA2 -0.029 3.931 3.960 0.001 0.000 0.232 231 G HA3 -0.029 3.931 3.960 0.001 0.000 0.232 231 G C 0.773 175.968 174.900 0.491 0.000 1.116 231 G CA -0.294 45.012 45.100 0.343 0.000 0.767 231 G HN 0.085 nan 8.290 nan 0.000 0.547 232 K N 0.695 121.354 120.400 0.432 0.000 2.074 232 K HA -0.112 4.208 4.320 0.001 0.000 0.209 232 K C 2.028 178.754 176.600 0.211 0.000 1.048 232 K CA 1.147 57.624 56.287 0.317 0.000 0.926 232 K CB 0.038 32.701 32.500 0.271 0.000 0.713 232 K HN 0.129 nan 8.250 nan 0.000 0.444 233 E N 1.017 121.333 120.200 0.193 0.000 2.268 233 E HA -0.158 4.192 4.350 0.001 0.000 0.195 233 E C 1.435 178.083 176.600 0.079 0.000 0.995 233 E CA 0.947 57.433 56.400 0.143 0.000 0.836 233 E CB -0.114 29.663 29.700 0.130 0.000 0.763 233 E HN 0.290 nan 8.360 nan 0.000 0.491 234 D N 0.680 121.119 120.400 0.066 0.000 2.144 234 D HA -0.132 4.509 4.640 0.001 0.000 0.199 234 D C 2.074 178.324 176.300 -0.083 0.000 0.984 234 D CA 0.523 54.537 54.000 0.023 0.000 0.834 234 D CB -0.280 40.520 40.800 0.000 0.000 0.955 234 D HN 0.215 nan 8.370 nan 0.000 0.465 235 L N 0.684 121.691 121.223 -0.359 0.000 2.187 235 L HA -0.180 4.160 4.340 0.001 0.000 0.213 235 L C 2.253 178.576 176.870 -0.912 0.000 1.100 235 L CA 1.046 55.331 54.840 -0.925 0.000 0.765 235 L CB -0.409 40.947 42.059 -1.172 0.000 0.904 235 L HN 0.061 nan 8.230 nan 0.000 0.437 236 K N -0.286 119.675 120.400 -0.733 0.000 2.026 236 K HA -0.181 4.139 4.320 0.001 0.000 0.208 236 K C 2.086 178.234 176.600 -0.754 0.000 1.048 236 K CA 1.590 57.268 56.287 -1.016 0.000 0.929 236 K CB -0.389 31.306 32.500 -1.341 0.000 0.713 236 K HN 0.261 nan 8.250 nan 0.000 0.439 237 Y N 1.354 121.460 120.300 -0.323 0.000 2.163 237 Y HA -0.128 4.423 4.550 0.001 0.000 0.288 237 Y C 2.378 178.225 175.900 -0.089 0.000 1.136 237 Y CA 0.746 58.755 58.100 -0.152 0.000 1.147 237 Y CB -0.563 37.838 38.460 -0.097 0.000 0.987 237 Y HN -0.007 nan 8.280 nan 0.000 0.509 238 L N -0.980 120.218 121.223 -0.042 0.000 2.046 238 L HA -0.203 4.137 4.340 0.001 0.000 0.208 238 L C 2.081 178.913 176.870 -0.063 0.000 1.077 238 L CA 1.514 56.291 54.840 -0.105 0.000 0.747 238 L CB -0.421 41.470 42.059 -0.281 0.000 0.896 238 L HN 0.224 nan 8.230 nan 0.000 0.432 239 F N -0.208 119.522 119.950 -0.368 0.000 2.146 239 F HA -0.213 4.315 4.527 0.001 0.000 0.298 239 F C 2.676 178.195 175.800 -0.468 0.000 1.096 239 F CA 0.366 58.013 58.000 -0.589 0.000 1.275 239 F CB -0.361 38.264 39.000 -0.625 0.000 1.008 239 F HN 0.256 nan 8.300 nan 0.000 0.480 240 A N -0.139 122.639 122.820 -0.069 0.000 1.877 240 A HA -0.290 4.031 4.320 0.001 0.000 0.216 240 A C 1.891 179.554 177.584 0.132 0.000 1.186 240 A CA 1.567 53.624 52.037 0.034 0.000 0.620 240 A CB -1.471 17.524 19.000 -0.008 0.000 0.822 240 A HN 0.506 nan 8.150 nan 0.000 0.443 241 Y N -1.174 119.140 120.300 0.024 0.000 2.128 241 Y HA -0.321 4.230 4.550 0.001 0.000 0.284 241 Y C 2.271 178.235 175.900 0.106 0.000 1.154 241 Y CA 2.223 60.364 58.100 0.067 0.000 1.149 241 Y CB -0.665 37.827 38.460 0.053 0.000 0.976 241 Y HN 0.473 nan 8.280 nan 0.000 0.505 242 Y N -1.045 119.282 120.300 0.045 0.000 2.114 242 Y HA -0.339 4.212 4.550 0.001 0.000 0.284 242 Y C 1.993 177.892 175.900 -0.001 0.000 1.143 242 Y CA 1.869 59.943 58.100 -0.043 0.000 1.135 242 Y CB -0.693 37.677 38.460 -0.149 0.000 0.980 242 Y HN 0.130 nan 8.280 nan 0.000 0.499 243 Y N 0.548 120.705 120.300 -0.238 0.000 2.352 243 Y HA -0.189 4.361 4.550 0.001 0.000 0.292 243 Y C 2.146 178.016 175.900 -0.051 0.000 1.136 243 Y CA 0.963 58.828 58.100 -0.391 0.000 1.227 243 Y CB -0.905 37.115 38.460 -0.733 0.000 0.991 243 Y HN 0.287 nan 8.280 nan 0.000 0.545 244 N N 0.012 118.825 118.700 0.187 0.000 2.409 244 N HA -0.078 4.662 4.740 0.001 0.000 0.179 244 N C 1.419 176.944 175.510 0.025 0.000 1.032 244 N CA 0.869 54.008 53.050 0.147 0.000 0.898 244 N CB -0.032 38.518 38.487 0.105 0.000 0.971 244 N HN 0.402 nan 8.380 nan 0.000 0.441 245 K N -1.018 119.354 120.400 -0.045 0.000 2.284 245 K HA 0.026 4.346 4.320 0.001 0.000 0.198 245 K C -0.002 176.626 176.600 0.047 0.000 1.048 245 K CA 0.427 56.681 56.287 -0.056 0.000 0.987 245 K CB 0.352 32.775 32.500 -0.128 0.000 0.800 245 K HN 0.059 nan 8.250 nan 0.000 0.486 246 H N -0.045 118.944 119.070 -0.135 0.000 2.852 246 H HA 0.218 4.775 4.556 0.001 0.000 0.274 246 H C -2.657 172.611 175.328 -0.100 0.000 1.321 246 H CA -2.530 53.441 56.048 -0.129 0.000 1.582 246 H CB 1.117 30.764 29.762 -0.192 0.000 1.699 246 H HN -0.151 nan 8.280 nan 0.000 0.546 247 P HA -0.095 nan 4.420 nan 0.000 0.219 247 P C 0.662 177.958 177.300 -0.006 0.000 1.146 247 P CA 1.143 64.286 63.100 0.072 0.000 0.808 247 P CB 0.434 32.231 31.700 0.161 0.000 0.779 248 E N -0.589 119.558 120.200 -0.088 0.000 2.476 248 E HA 0.137 4.488 4.350 0.001 0.000 0.191 248 E C 1.192 177.700 176.600 -0.154 0.000 1.064 248 E CA -0.405 55.998 56.400 0.005 0.000 0.866 248 E CB -0.177 29.666 29.700 0.240 0.000 0.952 248 E HN 0.188 nan 8.360 nan 0.000 0.492 249 G N 0.750 109.131 108.800 -0.698 0.000 2.651 249 G HA2 0.298 4.258 3.960 0.001 0.000 0.260 249 G HA3 0.298 4.258 3.960 0.001 0.000 0.260 249 G C -0.212 174.785 174.900 0.161 0.000 1.216 249 G CA -0.131 44.749 45.100 -0.367 0.000 0.913 249 G HN 0.167 nan 8.290 nan 0.000 0.535 250 S N -2.321 113.624 115.700 0.409 0.000 2.588 250 S HA 0.685 5.156 4.470 0.001 0.000 0.269 250 S C -0.840 173.937 174.600 0.295 0.000 1.157 250 S CA -0.219 58.181 58.200 0.334 0.000 0.824 250 S CB 1.544 64.802 63.200 0.096 0.000 1.126 250 S HN 1.868 nan 8.310 nan 0.000 0.464 251 V N 0.020 119.980 119.914 0.078 0.000 2.876 251 V HA 0.782 4.903 4.120 0.001 0.000 0.312 251 V C -0.225 175.585 176.094 -0.474 0.000 1.085 251 V CA -0.918 61.327 62.300 -0.092 0.000 0.945 251 V CB 1.503 33.038 31.823 -0.481 0.000 1.017 251 V HN 1.181 nan 8.190 nan 0.000 0.428 252 N N 2.378 120.743 118.700 -0.558 0.000 2.385 252 N HA 0.230 4.970 4.740 0.001 0.000 0.291 252 N C 0.175 175.393 175.510 -0.487 0.000 1.298 252 N CA 0.375 52.696 53.050 -1.215 0.000 0.955 252 N CB 0.167 37.883 38.487 -1.285 0.000 1.096 252 N HN 0.903 nan 8.380 nan 0.000 0.543 253 D N -2.454 117.599 120.400 -0.578 0.000 2.501 253 D HA 0.104 4.744 4.640 0.001 0.000 0.226 253 D C -0.032 176.082 176.300 -0.311 0.000 1.198 253 D CA -0.170 53.596 54.000 -0.390 0.000 0.830 253 D CB -0.202 40.129 40.800 -0.781 0.000 1.014 253 D HN 0.477 nan 8.370 nan 0.000 0.496 254 R N 0.043 120.274 120.500 -0.448 0.000 2.694 254 R HA 0.228 4.569 4.340 0.001 0.000 0.334 254 R C -0.030 176.068 176.300 -0.336 0.000 1.143 254 R CA -0.256 55.608 56.100 -0.393 0.000 1.073 254 R CB -0.105 29.900 30.300 -0.493 0.000 1.366 254 R HN 0.176 nan 8.270 nan 0.000 0.577 255 W N -0.353 120.926 121.300 -0.035 0.000 2.872 255 W HA 0.253 4.913 4.660 0.001 0.000 0.266 255 W C 1.387 177.952 176.519 0.076 0.000 1.276 255 W CA 0.453 57.842 57.345 0.073 0.000 1.471 255 W CB 0.383 29.885 29.460 0.070 0.000 1.071 255 W HN 0.286 nan 8.180 nan 0.000 0.619 256 G N 1.132 110.068 108.800 0.226 0.000 2.147 256 G HA2 -0.164 3.797 3.960 0.001 0.000 0.244 256 G HA3 -0.164 3.797 3.960 0.001 0.000 0.244 256 G C -0.085 174.863 174.900 0.080 0.000 1.005 256 G CA 0.205 45.380 45.100 0.125 0.000 0.713 256 G HN 0.486 nan 8.290 nan 0.000 0.515 257 V N -4.404 115.539 119.914 0.049 0.000 3.158 257 V HA 0.885 5.006 4.120 0.001 0.000 0.315 257 V C -0.663 175.229 176.094 -0.336 0.000 1.148 257 V CA -1.375 60.790 62.300 -0.225 0.000 1.042 257 V CB 1.277 32.867 31.823 -0.388 0.000 1.101 257 V HN -0.063 nan 8.190 nan 0.000 0.448 258 P HA -0.058 nan 4.420 nan 0.000 0.219 258 P C 0.042 177.155 177.300 -0.312 0.000 1.146 258 P CA 1.547 64.309 63.100 -0.565 0.000 0.808 258 P CB -0.161 30.980 31.700 -0.932 0.000 0.779 259 H N -0.432 118.415 119.070 -0.372 0.000 2.463 259 H HA 0.442 4.999 4.556 0.001 0.000 0.332 259 H C -0.746 174.551 175.328 -0.052 0.000 1.127 259 H CA -0.675 55.271 56.048 -0.171 0.000 1.238 259 H CB 0.559 30.395 29.762 0.124 0.000 1.478 259 H HN 0.013 nan 8.280 nan 0.000 0.499 260 W N 3.830 124.485 121.300 -1.075 0.000 3.173 260 W HA 0.221 4.882 4.660 0.001 0.000 0.313 260 W C -1.311 174.779 176.519 -0.716 0.000 1.228 260 W CA -0.597 56.282 57.345 -0.778 0.000 1.185 260 W CB 0.640 29.829 29.460 -0.451 0.000 1.390 260 W HN 0.451 nan 8.180 nan 0.000 0.568 261 D N 1.022 121.320 120.400 -0.170 0.000 2.380 261 D HA 0.124 4.764 4.640 0.001 0.000 0.212 261 D C 0.047 176.573 176.300 0.376 0.000 1.021 261 D CA 1.163 55.163 54.000 -0.001 0.000 0.884 261 D CB 0.931 41.787 40.800 0.094 0.000 1.001 261 D HN 0.235 nan 8.370 nan 0.000 0.506 262 F N -0.531 119.635 119.950 0.361 0.000 2.641 262 F HA 0.519 5.047 4.527 0.001 0.000 0.308 262 F C -0.529 175.287 175.800 0.026 0.000 1.105 262 F CA -1.363 56.813 58.000 0.293 0.000 0.964 262 F CB 1.182 40.247 39.000 0.108 0.000 1.294 262 F HN -0.510 nan 8.300 nan 0.000 0.442 263 K N 0.723 121.121 120.400 -0.003 0.000 2.148 263 K HA 0.768 5.088 4.320 0.001 0.000 0.239 263 K C -0.539 176.184 176.600 0.205 0.000 1.018 263 K CA -0.652 55.476 56.287 -0.265 0.000 0.923 263 K CB 1.663 33.868 32.500 -0.491 0.000 1.117 263 K HN 0.901 nan 8.250 nan 0.000 0.477 264 T N -2.517 112.100 114.554 0.105 0.000 2.903 264 T HA 0.748 5.099 4.350 0.001 0.000 0.299 264 T C -1.213 173.682 174.700 0.326 0.000 1.093 264 T CA -1.056 61.236 62.100 0.319 0.000 1.002 264 T CB 1.864 70.858 68.868 0.210 0.000 1.127 264 T HN 0.588 nan 8.240 nan 0.000 0.488 265 A N 1.261 124.386 122.820 0.509 0.000 2.449 265 A HA 0.827 5.148 4.320 0.001 0.000 0.302 265 A C -0.886 177.058 177.584 0.600 0.000 1.048 265 A CA -0.817 51.523 52.037 0.504 0.000 0.708 265 A CB 1.769 21.081 19.000 0.522 0.000 1.274 265 A HN 0.996 nan 8.150 nan 0.000 0.410 266 E N 1.539 122.051 120.200 0.520 0.000 2.244 266 E HA 0.565 4.915 4.350 0.001 0.000 0.260 266 E C -0.716 176.208 176.600 0.539 0.000 0.884 266 E CA -0.464 56.216 56.400 0.466 0.000 0.777 266 E CB 0.654 30.643 29.700 0.482 0.000 1.197 266 E HN 0.658 nan 8.360 nan 0.000 0.416 267 Y N 1.181 121.743 120.300 0.437 0.000 2.845 267 Y HA -0.504 4.046 4.550 0.001 0.000 0.468 267 Y C 1.675 177.691 175.900 0.192 0.000 1.163 267 Y CA 1.842 60.119 58.100 0.295 0.000 2.636 267 Y CB -1.015 37.554 38.460 0.181 0.000 1.194 267 Y HN 0.747 nan 8.280 nan 0.000 0.626 268 H N -0.449 118.881 119.070 0.432 0.000 2.462 268 H HA 0.084 4.640 4.556 0.001 0.000 0.292 268 H C 0.436 175.912 175.328 0.248 0.000 1.049 268 H CA 1.161 57.353 56.048 0.240 0.000 1.334 268 H CB -0.448 29.393 29.762 0.132 0.000 1.404 268 H HN 0.070 nan 8.280 nan 0.000 0.544 269 V N 3.701 123.813 119.914 0.330 0.000 2.458 269 V HA -0.110 4.011 4.120 0.001 0.000 0.287 269 V C 0.750 176.987 176.094 0.238 0.000 1.009 269 V CA 0.206 62.649 62.300 0.239 0.000 1.091 269 V CB -0.017 31.920 31.823 0.191 0.000 0.960 269 V HN 0.600 nan 8.190 nan 0.000 0.476 270 N N 2.441 121.230 118.700 0.149 0.000 2.753 270 N HA -0.256 4.485 4.740 0.001 0.000 0.251 270 N C -0.225 175.302 175.510 0.028 0.000 1.097 270 N CA 0.823 53.916 53.050 0.071 0.000 0.786 270 N CB -1.223 37.292 38.487 0.046 0.000 1.137 270 N HN 0.780 nan 8.380 nan 0.000 0.566 271 Y N 2.829 123.127 120.300 -0.004 0.000 2.544 271 Y HA 0.184 4.734 4.550 0.001 0.000 0.330 271 Y C -1.405 174.360 175.900 -0.225 0.000 1.136 271 Y CA -1.009 57.023 58.100 -0.112 0.000 1.417 271 Y CB 0.638 39.057 38.460 -0.068 0.000 1.229 271 Y HN 0.053 nan 8.280 nan 0.000 0.532 272 P HA 0.165 nan 4.420 nan 0.000 0.280 272 P C 0.146 177.334 177.300 -0.186 0.000 1.244 272 P CA -0.233 62.572 63.100 -0.491 0.000 0.784 272 P CB 1.662 32.846 31.700 -0.860 0.000 0.913 273 G N 1.173 109.930 108.800 -0.073 0.000 2.777 273 G HA2 0.010 3.970 3.960 0.001 0.000 0.211 273 G HA3 0.010 3.970 3.960 0.001 0.000 0.211 273 G C 0.233 175.122 174.900 -0.018 0.000 1.149 273 G CA 0.340 45.446 45.100 0.009 0.000 0.785 273 G HN 0.600 nan 8.290 nan 0.000 0.536 274 D N -1.686 118.667 120.400 -0.078 0.000 2.768 274 D HA 0.247 4.888 4.640 0.001 0.000 0.327 274 D C -0.414 175.827 176.300 -0.098 0.000 1.302 274 D CA -0.837 53.130 54.000 -0.055 0.000 0.897 274 D CB 0.305 41.079 40.800 -0.043 0.000 1.420 274 D HN -0.134 nan 8.370 nan 0.000 0.494 275 L N 2.062 123.252 121.223 -0.055 0.000 2.660 275 L HA 0.128 4.468 4.340 0.001 0.000 0.272 275 L C -1.215 175.552 176.870 -0.171 0.000 1.194 275 L CA -0.709 54.092 54.840 -0.066 0.000 0.945 275 L CB 0.034 42.077 42.059 -0.027 0.000 1.212 275 L HN 0.416 nan 8.230 nan 0.000 0.490 276 P HA 0.002 nan 4.420 nan 0.000 0.217 276 P C 1.015 178.032 177.300 -0.472 0.000 1.154 276 P CA 1.044 63.809 63.100 -0.558 0.000 0.841 276 P CB 0.351 31.376 31.700 -1.125 0.000 0.788 277 G N -2.187 106.410 108.800 -0.337 0.000 2.168 277 G HA2 -0.130 3.830 3.960 0.001 0.000 0.197 277 G HA3 -0.130 3.830 3.960 0.001 0.000 0.197 277 G C -0.251 174.670 174.900 0.034 0.000 0.997 277 G CA -0.099 44.938 45.100 -0.105 0.000 0.658 277 G HN 0.489 nan 8.290 nan 0.000 0.513 278 Y N -2.030 118.383 120.300 0.188 0.000 2.624 278 Y HA 0.820 5.370 4.550 0.001 0.000 0.334 278 Y C -0.354 175.770 175.900 0.373 0.000 1.155 278 Y CA -2.203 56.062 58.100 0.276 0.000 1.046 278 Y CB 0.463 39.146 38.460 0.372 0.000 1.316 278 Y HN 0.149 nan 8.280 nan 0.000 0.457 279 K N 2.958 123.719 120.400 0.602 0.000 2.326 279 K HA 0.437 4.758 4.320 0.001 0.000 0.275 279 K C -1.037 176.036 176.600 0.789 0.000 1.018 279 K CA -0.094 56.525 56.287 0.554 0.000 0.962 279 K CB 0.420 33.179 32.500 0.432 0.000 0.953 279 K HN 0.800 nan 8.250 nan 0.000 0.475 280 W N 1.813 123.345 121.300 0.387 0.000 3.025 280 W HA 0.533 5.194 4.660 0.001 0.000 0.343 280 W C -1.487 175.243 176.519 0.351 0.000 1.246 280 W CA -0.782 56.799 57.345 0.393 0.000 1.178 280 W CB 0.597 30.230 29.460 0.288 0.000 1.463 280 W HN 0.651 nan 8.180 nan 0.000 0.578 281 E N 1.124 121.582 120.200 0.430 0.000 2.308 281 E HA 0.468 4.818 4.350 0.001 0.000 0.275 281 E C -2.209 174.646 176.600 0.424 0.000 0.890 281 E CA -0.713 55.808 56.400 0.201 0.000 0.754 281 E CB 2.838 32.782 29.700 0.406 0.000 1.207 281 E HN 0.285 nan 8.360 nan 0.000 0.426 282 F N 2.901 122.881 119.950 0.051 0.000 2.420 282 F HA 0.521 5.049 4.527 0.001 0.000 0.342 282 F C -0.533 175.399 175.800 0.220 0.000 1.113 282 F CA -0.155 57.994 58.000 0.248 0.000 1.059 282 F CB 1.794 40.929 39.000 0.225 0.000 1.128 282 F HN 0.306 nan 8.300 nan 0.000 0.475 283 T N 6.349 120.705 114.554 -0.329 0.000 2.906 283 T HA 0.853 5.203 4.350 0.001 0.000 0.295 283 T C -1.261 173.005 174.700 -0.724 0.000 1.061 283 T CA -0.598 61.288 62.100 -0.358 0.000 1.000 283 T CB 1.144 70.132 68.868 0.199 0.000 1.103 283 T HN 0.963 nan 8.240 nan 0.000 0.486 284 R N 0.974 121.115 120.500 -0.599 0.000 2.765 284 R HA 0.634 4.975 4.340 0.001 0.000 0.277 284 R C -0.292 175.553 176.300 -0.758 0.000 1.028 284 R CA -1.256 54.261 56.100 -0.973 0.000 0.860 284 R CB 0.169 29.612 30.300 -1.428 0.000 1.270 284 R HN 0.795 nan 8.270 nan 0.000 0.484 285 G N 0.199 108.472 108.800 -0.879 0.000 2.580 285 G HA2 0.408 4.369 3.960 0.001 0.000 0.278 285 G HA3 0.408 4.369 3.960 0.001 0.000 0.278 285 G C 0.510 175.250 174.900 -0.266 0.000 1.212 285 G CA -1.032 43.719 45.100 -0.581 0.000 0.939 285 G HN 0.533 nan 8.290 nan 0.000 0.513 286 I N 0.365 120.830 120.570 -0.175 0.000 2.439 286 I HA 0.040 4.210 4.170 0.001 0.000 0.251 286 I C 2.043 178.132 176.117 -0.048 0.000 1.139 286 I CA 1.291 62.536 61.300 -0.091 0.000 1.438 286 I CB -0.128 37.836 38.000 -0.061 0.000 1.085 286 I HN 0.531 nan 8.210 nan 0.000 0.427 287 G N -0.282 108.485 108.800 -0.056 0.000 3.019 287 G HA2 0.405 4.365 3.960 0.001 0.000 0.152 287 G HA3 0.405 4.365 3.960 0.001 0.000 0.152 287 G C 0.427 175.336 174.900 0.015 0.000 1.320 287 G CA -0.471 44.621 45.100 -0.013 0.000 1.013 287 G HN 0.077 nan 8.290 nan 0.000 0.593 288 L N 0.163 121.354 121.223 -0.053 0.000 2.607 288 L HA 0.297 4.637 4.340 0.001 0.000 0.228 288 L C 1.174 177.989 176.870 -0.092 0.000 1.123 288 L CA 0.153 54.931 54.840 -0.103 0.000 0.890 288 L CB 0.474 42.426 42.059 -0.179 0.000 1.103 288 L HN 0.320 nan 8.230 nan 0.000 0.468 289 S N -1.602 114.004 115.700 -0.157 0.000 2.689 289 S HA 0.525 4.995 4.470 0.001 0.000 0.306 289 S C 0.258 174.573 174.600 -0.475 0.000 1.104 289 S CA -0.515 57.576 58.200 -0.181 0.000 0.973 289 S CB 1.327 64.453 63.200 -0.124 0.000 1.121 289 S HN 0.056 nan 8.310 nan 0.000 0.523 290 F N 1.128 120.821 119.950 -0.427 0.000 2.419 290 F HA 0.365 4.892 4.527 0.001 0.000 0.283 290 F C 1.801 177.440 175.800 -0.268 0.000 1.044 290 F CA 0.462 58.120 58.000 -0.569 0.000 1.376 290 F CB -0.610 37.641 39.000 -1.249 0.000 1.131 290 F HN 0.678 nan 8.300 nan 0.000 0.585 291 G N -1.008 107.797 108.800 0.008 0.000 2.539 291 G HA2 0.093 4.053 3.960 0.001 0.000 0.258 291 G HA3 0.093 4.053 3.960 0.001 0.000 0.258 291 G C -1.208 173.805 174.900 0.188 0.000 1.202 291 G CA -0.324 44.896 45.100 0.201 0.000 0.851 291 G HN 0.126 nan 8.290 nan 0.000 0.556 292 Y N 1.427 121.805 120.300 0.130 0.000 2.810 292 Y HA 0.077 4.628 4.550 0.001 0.000 0.332 292 Y C 0.125 176.050 175.900 0.042 0.000 1.243 292 Y CA -0.235 57.905 58.100 0.067 0.000 1.537 292 Y CB 0.485 39.001 38.460 0.094 0.000 1.265 292 Y HN 0.439 nan 8.280 nan 0.000 0.572 293 N N 5.739 124.169 118.700 -0.450 0.000 2.573 293 N HA 0.170 4.911 4.740 0.001 0.000 0.262 293 N C 0.520 175.577 175.510 -0.756 0.000 1.029 293 N CA -0.723 51.989 53.050 -0.563 0.000 0.882 293 N CB 0.668 38.938 38.487 -0.362 0.000 1.204 293 N HN 0.817 nan 8.380 nan 0.000 0.519 294 R N 2.263 122.212 120.500 -0.918 0.000 2.293 294 R HA 0.008 4.349 4.340 0.001 0.000 0.219 294 R C -0.297 175.871 176.300 -0.219 0.000 1.091 294 R CA 0.838 56.653 56.100 -0.474 0.000 1.004 294 R CB -0.091 30.097 30.300 -0.186 0.000 0.865 294 R HN 0.248 nan 8.270 nan 0.000 0.469 295 N N 1.060 119.557 118.700 -0.338 0.000 2.461 295 N HA 0.015 4.756 4.740 0.001 0.000 0.188 295 N C -0.516 174.855 175.510 -0.232 0.000 1.134 295 N CA 0.422 53.281 53.050 -0.319 0.000 0.878 295 N CB 0.290 38.404 38.487 -0.621 0.000 0.972 295 N HN 0.438 nan 8.380 nan 0.000 0.456 296 E N -0.335 119.751 120.200 -0.191 0.000 2.249 296 E HA 0.477 4.827 4.350 0.001 0.000 0.280 296 E C 0.322 176.997 176.600 0.125 0.000 1.016 296 E CA -0.550 55.824 56.400 -0.044 0.000 0.830 296 E CB 1.436 31.074 29.700 -0.104 0.000 1.081 296 E HN 0.129 nan 8.360 nan 0.000 0.395 297 G N 2.045 111.031 108.800 0.310 0.000 2.601 297 G HA2 0.261 4.221 3.960 0.001 0.000 0.317 297 G HA3 0.261 4.221 3.960 0.001 0.000 0.317 297 G C -1.799 173.127 174.900 0.043 0.000 1.246 297 G CA -1.188 43.972 45.100 0.099 0.000 1.012 297 G HN 0.303 nan 8.290 nan 0.000 0.494 298 P HA -0.065 nan 4.420 nan 0.000 0.225 298 P C 0.741 177.997 177.300 -0.073 0.000 1.148 298 P CA 0.985 64.070 63.100 -0.026 0.000 0.779 298 P CB 0.302 31.986 31.700 -0.026 0.000 0.780 299 E N -0.920 119.172 120.200 -0.179 0.000 2.333 299 E HA -0.158 4.192 4.350 0.001 0.000 0.198 299 E C 1.602 178.034 176.600 -0.280 0.000 1.007 299 E CA 0.994 57.229 56.400 -0.275 0.000 0.845 299 E CB -0.889 28.540 29.700 -0.453 0.000 0.766 299 E HN 0.537 nan 8.360 nan 0.000 0.507 300 H N -1.102 117.944 119.070 -0.040 0.000 2.622 300 H HA 0.320 4.876 4.556 0.001 0.000 0.269 300 H C 0.414 175.723 175.328 -0.031 0.000 0.977 300 H CA 0.189 56.210 56.048 -0.044 0.000 1.179 300 H CB 0.278 29.998 29.762 -0.071 0.000 1.458 300 H HN 0.177 nan 8.280 nan 0.000 0.531 301 M N 0.871 120.514 119.600 0.072 0.000 2.598 301 M HA 0.294 4.775 4.480 0.001 0.000 0.317 301 M C -0.030 176.271 176.300 0.002 0.000 1.201 301 M CA -0.716 54.603 55.300 0.032 0.000 0.971 301 M CB 2.393 35.002 32.600 0.015 0.000 1.657 301 M HN -0.118 nan 8.290 nan 0.000 0.470 302 L N 1.114 122.330 121.223 -0.011 0.000 2.467 302 L HA 0.184 4.524 4.340 0.001 0.000 0.270 302 L C 0.566 177.398 176.870 -0.064 0.000 1.205 302 L CA -0.215 54.601 54.840 -0.040 0.000 0.828 302 L CB 0.888 42.914 42.059 -0.054 0.000 1.101 302 L HN 0.813 nan 8.230 nan 0.000 0.479 303 S N 0.675 116.318 115.700 -0.095 0.000 2.654 303 S HA 0.257 4.728 4.470 0.001 0.000 0.283 303 S C 1.067 175.573 174.600 -0.156 0.000 1.180 303 S CA -0.997 57.138 58.200 -0.107 0.000 1.021 303 S CB 1.753 64.886 63.200 -0.112 0.000 1.018 303 S HN 0.329 nan 8.310 nan 0.000 0.532 304 V N 1.973 121.806 119.914 -0.136 0.000 2.317 304 V HA -0.251 3.869 4.120 0.001 0.000 0.251 304 V C 2.566 178.480 176.094 -0.300 0.000 1.065 304 V CA 2.594 64.796 62.300 -0.164 0.000 1.049 304 V CB -1.436 30.332 31.823 -0.093 0.000 0.651 304 V HN 0.921 nan 8.190 nan 0.000 0.450 305 E N -0.009 119.984 120.200 -0.345 0.000 2.051 305 E HA -0.246 4.105 4.350 0.001 0.000 0.192 305 E C 2.302 178.334 176.600 -0.947 0.000 0.991 305 E CA 1.477 57.501 56.400 -0.627 0.000 0.799 305 E CB -0.334 29.062 29.700 -0.506 0.000 0.748 305 E HN 0.704 nan 8.360 nan 0.000 0.449 306 Q N 0.103 119.552 119.800 -0.585 0.000 2.170 306 Q HA -0.094 4.246 4.340 0.001 0.000 0.203 306 Q C 2.263 178.070 176.000 -0.322 0.000 0.976 306 Q CA 0.762 56.314 55.803 -0.418 0.000 0.858 306 Q CB -0.110 28.515 28.738 -0.188 0.000 0.907 306 Q HN 0.300 nan 8.270 nan 0.000 0.433 307 L N 0.075 121.111 121.223 -0.312 0.000 2.017 307 L HA -0.191 4.149 4.340 0.001 0.000 0.208 307 L C 2.305 178.955 176.870 -0.367 0.000 1.073 307 L CA 1.021 55.701 54.840 -0.267 0.000 0.745 307 L CB -0.337 41.578 42.059 -0.239 0.000 0.894 307 L HN 0.145 nan 8.230 nan 0.000 0.432 308 V N -0.784 118.810 119.914 -0.534 0.000 2.332 308 V HA -0.364 3.757 4.120 0.001 0.000 0.248 308 V C 2.143 177.946 176.094 -0.485 0.000 1.055 308 V CA 1.899 63.749 62.300 -0.750 0.000 1.038 308 V CB -0.763 30.382 31.823 -1.131 0.000 0.651 308 V HN 0.409 nan 8.190 nan 0.000 0.450 309 Y N 0.127 120.179 120.300 -0.414 0.000 2.200 309 Y HA -0.235 4.315 4.550 0.001 0.000 0.290 309 Y C 2.862 178.621 175.900 -0.234 0.000 1.137 309 Y CA 1.130 59.047 58.100 -0.304 0.000 1.163 309 Y CB -0.517 37.815 38.460 -0.214 0.000 0.988 309 Y HN 0.248 nan 8.280 nan 0.000 0.518 310 T N 0.881 115.408 114.554 -0.045 0.000 2.708 310 T HA -0.213 4.137 4.350 0.001 0.000 0.266 310 T C 1.866 176.537 174.700 -0.047 0.000 1.037 310 T CA 1.374 63.461 62.100 -0.022 0.000 1.146 310 T CB -0.615 68.272 68.868 0.033 0.000 0.865 310 T HN 0.166 nan 8.240 nan 0.000 0.435 311 L N 1.469 122.602 121.223 -0.151 0.000 2.012 311 L HA -0.079 4.261 4.340 0.001 0.000 0.210 311 L C 2.444 179.211 176.870 -0.171 0.000 1.073 311 L CA 1.620 56.344 54.840 -0.193 0.000 0.748 311 L CB -0.803 41.050 42.059 -0.343 0.000 0.891 311 L HN 0.088 nan 8.230 nan 0.000 0.431 312 V N -0.108 119.679 119.914 -0.211 0.000 2.332 312 V HA -0.321 3.800 4.120 0.001 0.000 0.248 312 V C 2.347 178.381 176.094 -0.101 0.000 1.055 312 V CA 2.032 64.229 62.300 -0.171 0.000 1.038 312 V CB -0.891 30.804 31.823 -0.213 0.000 0.651 312 V HN 0.575 nan 8.190 nan 0.000 0.450 313 D N -0.109 120.252 120.400 -0.066 0.000 2.097 313 D HA -0.149 4.492 4.640 0.001 0.000 0.195 313 D C 2.047 178.384 176.300 0.061 0.000 0.989 313 D CA 1.412 55.413 54.000 0.001 0.000 0.827 313 D CB -0.084 40.739 40.800 0.039 0.000 0.966 313 D HN 0.186 nan 8.370 nan 0.000 0.456 314 V N -0.152 119.785 119.914 0.038 0.000 2.255 314 V HA -0.236 3.885 4.120 0.001 0.000 0.247 314 V C 2.590 178.620 176.094 -0.106 0.000 1.051 314 V CA 1.516 63.801 62.300 -0.025 0.000 1.018 314 V CB -0.480 31.289 31.823 -0.090 0.000 0.641 314 V HN 0.167 nan 8.190 nan 0.000 0.445 315 V N 0.846 120.694 119.914 -0.111 0.000 2.490 315 V HA -0.207 3.913 4.120 0.001 0.000 0.250 315 V C 2.665 178.748 176.094 -0.018 0.000 1.061 315 V CA 2.122 64.359 62.300 -0.104 0.000 1.064 315 V CB -0.744 31.014 31.823 -0.109 0.000 0.670 315 V HN 0.774 nan 8.190 nan 0.000 0.461 316 S N -0.026 115.682 115.700 0.013 0.000 2.447 316 S HA -0.149 4.322 4.470 0.001 0.000 0.233 316 S C 1.658 176.335 174.600 0.129 0.000 1.006 316 S CA 1.000 59.245 58.200 0.075 0.000 0.957 316 S CB -0.364 62.866 63.200 0.049 0.000 0.773 316 S HN 0.635 nan 8.310 nan 0.000 0.507 317 K N 0.650 121.142 120.400 0.154 0.000 2.437 317 K HA 0.330 4.651 4.320 0.001 0.000 0.198 317 K C 1.124 177.928 176.600 0.340 0.000 1.024 317 K CA 0.339 56.774 56.287 0.247 0.000 1.148 317 K CB -0.075 32.633 32.500 0.346 0.000 0.860 317 K HN 0.523 nan 8.250 nan 0.000 0.515 318 G N 0.558 109.455 108.800 0.161 0.000 2.179 318 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 318 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 318 G C 0.408 175.216 174.900 -0.153 0.000 0.977 318 G CA -0.058 45.100 45.100 0.097 0.000 0.641 318 G HN 0.518 nan 8.290 nan 0.000 0.533 319 G N -0.793 107.693 108.800 -0.523 0.000 2.537 319 G HA2 0.577 4.537 3.960 0.001 0.000 0.297 319 G HA3 0.577 4.537 3.960 0.001 0.000 0.297 319 G C -0.469 174.062 174.900 -0.614 0.000 1.310 319 G CA -0.452 43.936 45.100 -1.187 0.000 1.027 319 G HN 0.289 nan 8.290 nan 0.000 0.505 320 N N -1.402 116.967 118.700 -0.552 0.000 2.319 320 N HA 0.510 5.251 4.740 0.001 0.000 0.305 320 N C -1.119 174.284 175.510 -0.179 0.000 1.103 320 N CA -0.591 52.277 53.050 -0.304 0.000 0.815 320 N CB 2.176 40.443 38.487 -0.368 0.000 1.288 320 N HN 0.404 nan 8.380 nan 0.000 0.493 321 L N 1.753 122.948 121.223 -0.046 0.000 2.295 321 L HA 0.606 4.946 4.340 0.001 0.000 0.285 321 L C -1.280 175.627 176.870 0.061 0.000 1.035 321 L CA -0.567 54.306 54.840 0.055 0.000 0.806 321 L CB 0.869 42.962 42.059 0.056 0.000 1.214 321 L HN 0.438 nan 8.230 nan 0.000 0.426 322 L N 6.121 127.342 121.223 -0.003 0.000 2.387 322 L HA 0.474 4.814 4.340 0.001 0.000 0.259 322 L C -1.075 175.743 176.870 -0.087 0.000 1.050 322 L CA -0.328 54.434 54.840 -0.130 0.000 0.922 322 L CB 0.851 42.781 42.059 -0.215 0.000 1.280 322 L HN 0.703 nan 8.230 nan 0.000 0.449 323 L N 4.055 125.276 121.223 -0.004 0.000 2.319 323 L HA 0.376 4.717 4.340 0.001 0.000 0.280 323 L C 0.022 176.891 176.870 -0.002 0.000 1.099 323 L CA 0.353 55.201 54.840 0.013 0.000 0.828 323 L CB 0.768 42.928 42.059 0.168 0.000 1.150 323 L HN 0.725 nan 8.230 nan 0.000 0.442 324 N N 3.296 121.993 118.700 -0.004 0.000 2.479 324 N HA 0.546 5.286 4.740 0.001 0.000 0.285 324 N C -1.109 174.357 175.510 -0.073 0.000 1.075 324 N CA -0.569 52.504 53.050 0.038 0.000 0.967 324 N CB 1.426 39.933 38.487 0.034 0.000 1.137 324 N HN 0.483 nan 8.380 nan 0.000 0.472 325 V N 0.775 120.647 119.914 -0.071 0.000 2.628 325 V HA 0.893 5.013 4.120 0.001 0.000 0.306 325 V C 0.186 176.240 176.094 -0.067 0.000 1.045 325 V CA -0.700 61.540 62.300 -0.101 0.000 0.905 325 V CB 1.322 33.057 31.823 -0.146 0.000 0.997 325 V HN 0.710 nan 8.190 nan 0.000 0.436 326 G N 4.961 113.741 108.800 -0.034 0.000 2.955 326 G HA2 0.661 4.622 3.960 0.001 0.000 0.336 326 G HA3 0.661 4.622 3.960 0.001 0.000 0.336 326 G C -2.841 172.068 174.900 0.016 0.000 1.264 326 G CA -1.580 43.560 45.100 0.066 0.000 1.096 326 G HN 0.676 nan 8.290 nan 0.000 0.486 327 P HA 0.168 nan 4.420 nan 0.000 0.271 327 P C 0.179 177.447 177.300 -0.055 0.000 1.233 327 P CA -0.169 62.794 63.100 -0.229 0.000 0.789 327 P CB 1.075 32.428 31.700 -0.578 0.000 0.951 328 K N 0.020 120.361 120.400 -0.099 0.000 2.090 328 K HA 0.348 4.668 4.320 0.001 0.000 0.250 328 K C 1.902 178.745 176.600 0.405 0.000 1.004 328 K CA -0.221 56.047 56.287 -0.032 0.000 0.919 328 K CB 0.020 32.408 32.500 -0.186 0.000 1.045 328 K HN 0.487 nan 8.250 nan 0.000 0.471 329 G N 1.219 110.215 108.800 0.327 0.000 2.503 329 G HA2 -0.294 3.666 3.960 0.001 0.000 0.221 329 G HA3 -0.294 3.666 3.960 0.001 0.000 0.221 329 G C 0.805 176.005 174.900 0.500 0.000 1.131 329 G CA 1.490 46.829 45.100 0.398 0.000 0.756 329 G HN 0.842 nan 8.290 nan 0.000 0.572 330 D N -0.661 119.945 120.400 0.345 0.000 2.324 330 D HA 0.262 4.902 4.640 0.001 0.000 0.235 330 D C 1.635 178.152 176.300 0.361 0.000 1.095 330 D CA 0.484 54.657 54.000 0.289 0.000 0.871 330 D CB -0.647 40.265 40.800 0.187 0.000 0.906 330 D HN 0.527 nan 8.370 nan 0.000 0.522 331 G N -0.034 109.087 108.800 0.534 0.000 2.148 331 G HA2 -0.257 3.703 3.960 0.001 0.000 0.254 331 G HA3 -0.257 3.703 3.960 0.001 0.000 0.254 331 G C 0.392 175.535 174.900 0.406 0.000 0.981 331 G CA 0.593 45.944 45.100 0.420 0.000 0.670 331 G HN 0.812 nan 8.290 nan 0.000 0.528 332 T N -1.463 113.250 114.554 0.266 0.000 2.929 332 T HA 0.740 5.090 4.350 0.001 0.000 0.284 332 T C 0.231 174.960 174.700 0.047 0.000 1.014 332 T CA -0.934 61.291 62.100 0.207 0.000 1.051 332 T CB 2.366 71.299 68.868 0.109 0.000 1.028 332 T HN 0.424 nan 8.240 nan 0.000 0.485 333 I N 3.120 123.687 120.570 -0.005 0.000 2.297 333 I HA 0.290 4.460 4.170 0.001 0.000 0.291 333 I C -2.174 173.879 176.117 -0.106 0.000 1.033 333 I CA -2.536 58.680 61.300 -0.140 0.000 1.253 333 I CB 1.111 38.981 38.000 -0.216 0.000 1.396 333 I HN 0.462 nan 8.210 nan 0.000 0.476 334 P HA -0.065 nan 4.420 nan 0.000 0.261 334 P C -0.002 177.283 177.300 -0.026 0.000 1.165 334 P CA 0.219 63.268 63.100 -0.085 0.000 0.759 334 P CB 0.525 32.186 31.700 -0.066 0.000 0.772 335 D N 2.022 122.420 120.400 -0.003 0.000 2.149 335 D HA -0.181 4.460 4.640 0.001 0.000 0.194 335 D C 1.775 178.082 176.300 0.011 0.000 1.001 335 D CA 1.340 55.343 54.000 0.006 0.000 0.849 335 D CB -0.394 40.416 40.800 0.016 0.000 0.939 335 D HN 0.377 nan 8.370 nan 0.000 0.449 336 L N 0.091 121.328 121.223 0.023 0.000 2.079 336 L HA -0.227 4.113 4.340 0.001 0.000 0.210 336 L C 2.362 179.239 176.870 0.012 0.000 1.081 336 L CA 1.288 56.142 54.840 0.022 0.000 0.752 336 L CB -0.324 41.758 42.059 0.039 0.000 0.896 336 L HN 0.146 nan 8.230 nan 0.000 0.433 337 Q N -0.517 119.287 119.800 0.007 0.000 2.123 337 Q HA -0.173 4.167 4.340 0.001 0.000 0.196 337 Q C 2.188 178.185 176.000 -0.004 0.000 0.958 337 Q CA 0.868 56.668 55.803 -0.005 0.000 0.841 337 Q CB 0.046 28.773 28.738 -0.019 0.000 0.915 337 Q HN 0.317 nan 8.270 nan 0.000 0.455 338 K N 1.264 121.658 120.400 -0.011 0.000 2.063 338 K HA -0.222 4.098 4.320 0.001 0.000 0.208 338 K C 1.796 178.403 176.600 0.012 0.000 1.048 338 K CA 1.530 57.814 56.287 -0.005 0.000 0.928 338 K CB 0.126 32.616 32.500 -0.015 0.000 0.713 338 K HN 0.155 nan 8.250 nan 0.000 0.442 339 E N -0.265 119.941 120.200 0.009 0.000 2.077 339 E HA -0.178 4.172 4.350 0.001 0.000 0.193 339 E C 2.113 178.722 176.600 0.015 0.000 0.989 339 E CA 1.181 57.589 56.400 0.013 0.000 0.800 339 E CB 0.075 29.781 29.700 0.009 0.000 0.746 339 E HN 0.239 nan 8.360 nan 0.000 0.452 340 R N 0.346 120.850 120.500 0.007 0.000 2.081 340 R HA -0.100 4.241 4.340 0.001 0.000 0.235 340 R C 2.504 178.814 176.300 0.018 0.000 1.131 340 R CA 0.867 56.965 56.100 -0.003 0.000 0.960 340 R CB -0.388 29.902 30.300 -0.018 0.000 0.856 340 R HN 0.191 nan 8.270 nan 0.000 0.436 341 L N 0.739 121.988 121.223 0.043 0.000 2.042 341 L HA -0.224 4.117 4.340 0.001 0.000 0.210 341 L C 2.303 179.237 176.870 0.106 0.000 1.076 341 L CA 1.331 56.228 54.840 0.096 0.000 0.749 341 L CB -0.279 41.846 42.059 0.109 0.000 0.893 341 L HN 0.221 nan 8.230 nan 0.000 0.432 342 L N -1.323 119.945 121.223 0.074 0.000 2.109 342 L HA -0.072 4.268 4.340 0.001 0.000 0.207 342 L C 2.644 179.562 176.870 0.080 0.000 1.086 342 L CA 1.084 55.969 54.840 0.076 0.000 0.760 342 L CB -1.082 41.007 42.059 0.050 0.000 0.910 342 L HN 0.270 nan 8.230 nan 0.000 0.437 343 G N 0.523 109.359 108.800 0.060 0.000 2.459 343 G HA2 -0.308 3.652 3.960 0.001 0.000 0.217 343 G HA3 -0.308 3.652 3.960 0.001 0.000 0.217 343 G C 1.564 176.527 174.900 0.105 0.000 1.183 343 G CA 0.956 46.096 45.100 0.065 0.000 0.776 343 G HN 0.208 nan 8.290 nan 0.000 0.552 344 L N 1.732 122.996 121.223 0.069 0.000 2.012 344 L HA 0.065 4.405 4.340 0.001 0.000 0.210 344 L C 2.839 179.811 176.870 0.171 0.000 1.073 344 L CA 2.525 57.406 54.840 0.068 0.000 0.748 344 L CB -1.105 40.923 42.059 -0.053 0.000 0.891 344 L HN 0.189 nan 8.230 nan 0.000 0.431 345 G N -1.386 107.518 108.800 0.174 0.000 2.440 345 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 345 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 345 G C 1.481 176.482 174.900 0.169 0.000 1.154 345 G CA 0.899 46.119 45.100 0.200 0.000 0.767 345 G HN 0.523 nan 8.290 nan 0.000 0.552 346 E N -0.852 119.437 120.200 0.147 0.000 2.051 346 E HA -0.159 4.191 4.350 0.001 0.000 0.192 346 E C 2.000 178.673 176.600 0.121 0.000 0.991 346 E CA 0.995 57.464 56.400 0.114 0.000 0.799 346 E CB -0.251 29.514 29.700 0.109 0.000 0.748 346 E HN 0.633 nan 8.360 nan 0.000 0.449 347 W N 0.879 122.219 121.300 0.066 0.000 2.363 347 W HA -0.140 4.520 4.660 0.001 0.000 0.296 347 W C 1.644 178.249 176.519 0.143 0.000 1.212 347 W CA 1.190 58.616 57.345 0.134 0.000 1.260 347 W CB -0.119 29.387 29.460 0.077 0.000 1.131 347 W HN 0.017 nan 8.180 nan 0.000 0.530 348 L N 0.283 121.609 121.223 0.171 0.000 2.291 348 L HA -0.112 4.228 4.340 0.001 0.000 0.214 348 L C 2.755 179.622 176.870 -0.005 0.000 1.120 348 L CA 1.062 55.935 54.840 0.056 0.000 0.799 348 L CB -0.624 41.564 42.059 0.216 0.000 0.925 348 L HN -0.044 nan 8.230 nan 0.000 0.446 349 R N 0.206 120.700 120.500 -0.011 0.000 2.073 349 R HA -0.137 4.203 4.340 0.001 0.000 0.229 349 R C 2.142 178.357 176.300 -0.143 0.000 1.120 349 R CA 1.244 57.329 56.100 -0.025 0.000 0.967 349 R CB 0.130 30.423 30.300 -0.013 0.000 0.862 349 R HN 0.317 nan 8.270 nan 0.000 0.436 350 K N -0.866 119.346 120.400 -0.314 0.000 2.005 350 K HA -0.102 4.218 4.320 0.001 0.000 0.206 350 K C 1.691 177.977 176.600 -0.524 0.000 1.044 350 K CA 1.372 57.344 56.287 -0.524 0.000 0.942 350 K CB -0.107 31.874 32.500 -0.865 0.000 0.727 350 K HN 0.201 nan 8.250 nan 0.000 0.439 351 Y N 0.623 120.611 120.300 -0.520 0.000 2.482 351 Y HA 0.158 4.709 4.550 0.001 0.000 0.270 351 Y C 2.198 177.765 175.900 -0.556 0.000 1.152 351 Y CA 0.065 57.766 58.100 -0.665 0.000 1.292 351 Y CB -0.516 37.071 38.460 -1.454 0.000 1.070 351 Y HN 0.149 nan 8.280 nan 0.000 0.528 352 G N 0.342 109.005 108.800 -0.229 0.000 2.550 352 G HA2 -0.400 3.561 3.960 0.001 0.000 0.222 352 G HA3 -0.400 3.561 3.960 0.001 0.000 0.222 352 G C 1.286 176.173 174.900 -0.022 0.000 1.113 352 G CA 1.655 46.688 45.100 -0.111 0.000 0.748 352 G HN 0.415 nan 8.290 nan 0.000 0.585 353 D N 0.090 120.514 120.400 0.042 0.000 2.310 353 D HA 0.180 4.820 4.640 0.001 0.000 0.212 353 D C 2.338 178.410 176.300 -0.380 0.000 0.965 353 D CA 0.967 54.991 54.000 0.040 0.000 0.879 353 D CB -0.173 40.767 40.800 0.234 0.000 0.921 353 D HN 0.280 nan 8.370 nan 0.000 0.510 354 A N -0.472 121.858 122.820 -0.817 0.000 2.345 354 A HA 0.205 4.525 4.320 0.001 0.000 0.225 354 A C 1.324 178.462 177.584 -0.743 0.000 1.243 354 A CA 0.002 51.068 52.037 -1.618 0.000 0.875 354 A CB -0.026 18.030 19.000 -1.574 0.000 0.929 354 A HN 0.204 nan 8.150 nan 0.000 0.502 355 I N -2.247 118.057 120.570 -0.444 0.000 3.809 355 I HA 0.152 4.323 4.170 0.001 0.000 0.245 355 I C 0.393 176.406 176.117 -0.172 0.000 1.119 355 I CA -0.027 61.087 61.300 -0.310 0.000 1.597 355 I CB -1.394 36.357 38.000 -0.415 0.000 1.605 355 I HN 0.263 nan 8.210 nan 0.000 0.441 356 Y N 1.931 122.211 120.300 -0.034 0.000 2.702 356 Y HA 0.270 4.821 4.550 0.001 0.000 0.336 356 Y C 1.721 177.630 175.900 0.015 0.000 1.235 356 Y CA 0.897 59.004 58.100 0.011 0.000 1.492 356 Y CB -0.080 38.402 38.460 0.037 0.000 1.308 356 Y HN 0.532 nan 8.280 nan 0.000 0.589 357 G N 1.069 109.990 108.800 0.203 0.000 2.186 357 G HA2 -0.344 3.616 3.960 0.001 0.000 0.266 357 G HA3 -0.344 3.616 3.960 0.001 0.000 0.266 357 G C 0.277 175.252 174.900 0.124 0.000 0.982 357 G CA 0.563 45.749 45.100 0.144 0.000 0.670 357 G HN 0.935 nan 8.290 nan 0.000 0.533 358 T N -2.179 112.436 114.554 0.102 0.000 2.788 358 T HA 0.729 5.079 4.350 0.001 0.000 0.280 358 T C 0.327 175.093 174.700 0.110 0.000 0.984 358 T CA 0.365 62.538 62.100 0.121 0.000 0.972 358 T CB 2.033 70.956 68.868 0.093 0.000 1.039 358 T HN 0.523 nan 8.240 nan 0.000 0.530 359 S N -0.331 115.452 115.700 0.139 0.000 2.632 359 S HA 0.658 5.129 4.470 0.001 0.000 0.289 359 S C 0.100 174.798 174.600 0.164 0.000 1.115 359 S CA -0.732 57.546 58.200 0.130 0.000 0.889 359 S CB 1.578 64.856 63.200 0.131 0.000 1.116 359 S HN 1.049 nan 8.310 nan 0.000 0.486 360 V N 0.075 120.083 119.914 0.155 0.000 3.051 360 V HA 0.522 4.643 4.120 0.001 0.000 0.306 360 V C 0.016 176.274 176.094 0.273 0.000 1.083 360 V CA -0.243 62.174 62.300 0.195 0.000 1.104 360 V CB 0.367 32.276 31.823 0.143 0.000 1.027 360 V HN 0.902 nan 8.190 nan 0.000 0.483 361 W N 1.480 122.822 121.300 0.069 0.000 2.474 361 W HA 0.464 5.124 4.660 0.001 0.000 0.567 361 W C 1.711 178.220 176.519 -0.018 0.000 1.678 361 W CA -0.154 57.203 57.345 0.020 0.000 1.707 361 W CB 0.935 30.405 29.460 0.018 0.000 2.723 361 W HN 0.759 nan 8.180 nan 0.000 0.739 362 E N 0.051 119.711 120.200 -0.899 0.000 2.158 362 E HA -0.056 4.294 4.350 0.001 0.000 0.191 362 E C 0.127 176.469 176.600 -0.429 0.000 0.982 362 E CA 0.944 56.896 56.400 -0.747 0.000 0.823 362 E CB 0.068 29.090 29.700 -1.130 0.000 0.766 362 E HN 0.165 nan 8.360 nan 0.000 0.468 363 R N -0.517 119.768 120.500 -0.358 0.000 2.771 363 R HA 0.364 4.705 4.340 0.001 0.000 0.274 363 R C 0.546 177.005 176.300 0.265 0.000 0.987 363 R CA -0.403 55.654 56.100 -0.072 0.000 0.908 363 R CB 0.739 30.960 30.300 -0.130 0.000 1.213 363 R HN 0.078 nan 8.270 nan 0.000 0.468 364 C N -1.706 117.766 119.300 0.287 0.000 2.551 364 C HA 0.473 4.934 4.460 0.001 0.000 0.277 364 C C 0.544 175.765 174.990 0.386 0.000 1.349 364 C CA -0.179 59.049 59.018 0.350 0.000 1.750 364 C CB -0.811 27.032 27.740 0.171 0.000 2.058 364 C HN 0.657 nan 8.230 nan 0.000 0.518 365 C N 0.895 120.419 119.300 0.373 0.000 3.080 365 C HA 0.959 5.420 4.460 0.001 0.000 0.307 365 C C 0.204 175.385 174.990 0.318 0.000 1.311 365 C CA 0.317 59.457 59.018 0.203 0.000 1.533 365 C CB 0.988 28.772 27.740 0.073 0.000 1.970 365 C HN 0.934 nan 8.230 nan 0.000 0.467 366 A N 1.174 124.045 122.820 0.084 0.000 2.511 366 A HA 0.952 5.273 4.320 0.001 0.000 0.293 366 A C -1.781 175.775 177.584 -0.048 0.000 1.098 366 A CA -0.650 51.446 52.037 0.099 0.000 0.643 366 A CB 1.338 20.509 19.000 0.285 0.000 1.302 366 A HN 1.062 nan 8.150 nan 0.000 0.446 367 K N -0.784 119.604 120.400 -0.020 0.000 2.536 367 K HA 0.751 5.072 4.320 0.001 0.000 0.269 367 K C -0.540 176.058 176.600 -0.003 0.000 0.965 367 K CA -0.159 56.101 56.287 -0.046 0.000 0.860 367 K CB 1.631 34.113 32.500 -0.030 0.000 1.423 367 K HN 0.998 nan 8.250 nan 0.000 0.438 368 T N -2.409 112.154 114.554 0.015 0.000 2.874 368 T HA 0.103 4.453 4.350 0.001 0.000 0.281 368 T C 1.066 175.796 174.700 0.050 0.000 0.994 368 T CA -0.448 61.692 62.100 0.067 0.000 1.015 368 T CB 1.497 70.438 68.868 0.121 0.000 1.028 368 T HN 0.867 nan 8.240 nan 0.000 0.523 369 E N 0.512 120.747 120.200 0.058 0.000 2.219 369 E HA -0.249 4.101 4.350 0.001 0.000 0.198 369 E C 0.886 177.508 176.600 0.036 0.000 0.998 369 E CA 1.877 58.303 56.400 0.044 0.000 0.818 369 E CB -0.275 29.454 29.700 0.049 0.000 0.741 369 E HN 0.905 nan 8.360 nan 0.000 0.477 370 D N -2.118 118.306 120.400 0.040 0.000 2.339 370 D HA 0.175 4.815 4.640 0.001 0.000 0.217 370 D C 1.164 177.477 176.300 0.022 0.000 1.050 370 D CA 0.469 54.487 54.000 0.031 0.000 0.856 370 D CB 0.702 41.522 40.800 0.034 0.000 0.922 370 D HN 0.247 nan 8.370 nan 0.000 0.518 371 G N -0.333 108.478 108.800 0.019 0.000 2.176 371 G HA2 -0.264 3.697 3.960 0.001 0.000 0.232 371 G HA3 -0.264 3.697 3.960 0.001 0.000 0.232 371 G C 0.387 175.281 174.900 -0.009 0.000 0.986 371 G CA 0.091 45.193 45.100 0.003 0.000 0.643 371 G HN 0.364 nan 8.290 nan 0.000 0.522 372 T N 2.227 116.786 114.554 0.008 0.000 2.851 372 T HA 0.446 4.796 4.350 0.001 0.000 0.298 372 T C 0.280 174.944 174.700 -0.062 0.000 0.977 372 T CA -0.006 62.089 62.100 -0.008 0.000 1.126 372 T CB 1.309 70.220 68.868 0.072 0.000 0.916 372 T HN 0.239 nan 8.240 nan 0.000 0.529 373 E N 2.386 122.504 120.200 -0.137 0.000 2.343 373 E HA 0.429 4.779 4.350 0.001 0.000 0.269 373 E C -0.133 176.281 176.600 -0.309 0.000 1.047 373 E CA -0.195 56.088 56.400 -0.196 0.000 0.874 373 E CB 1.313 30.894 29.700 -0.198 0.000 1.033 373 E HN 0.494 nan 8.360 nan 0.000 0.409 374 I N 2.036 122.376 120.570 -0.383 0.000 2.785 374 I HA 0.425 4.596 4.170 0.001 0.000 0.302 374 I C -0.074 175.650 176.117 -0.656 0.000 1.069 374 I CA -0.963 59.959 61.300 -0.630 0.000 1.045 374 I CB 1.715 39.217 38.000 -0.831 0.000 1.236 374 I HN 0.048 nan 8.210 nan 0.000 0.429 375 R N 3.458 123.487 120.500 -0.784 0.000 2.725 375 R HA 0.638 4.978 4.340 0.001 0.000 0.277 375 R C -1.592 174.201 176.300 -0.845 0.000 0.987 375 R CA -0.897 54.809 56.100 -0.657 0.000 0.901 375 R CB 1.961 32.072 30.300 -0.315 0.000 1.207 375 R HN 0.369 nan 8.270 nan 0.000 0.463 376 F N -0.167 119.780 119.950 -0.005 0.000 2.538 376 F HA 0.662 5.189 4.527 0.001 0.000 0.325 376 F C 0.748 176.587 175.800 0.064 0.000 1.066 376 F CA -0.616 57.385 58.000 0.001 0.000 0.946 376 F CB 2.238 41.288 39.000 0.083 0.000 1.199 376 F HN 0.452 nan 8.300 nan 0.000 0.473 377 T N -0.819 113.888 114.554 0.255 0.000 2.900 377 T HA 0.651 5.001 4.350 0.001 0.000 0.303 377 T C -1.134 173.743 174.700 0.296 0.000 1.142 377 T CA -1.089 61.165 62.100 0.257 0.000 1.007 377 T CB 2.495 71.460 68.868 0.161 0.000 1.156 377 T HN 0.824 nan 8.240 nan 0.000 0.490 378 R N 0.278 120.941 120.500 0.272 0.000 2.807 378 R HA 0.692 5.033 4.340 0.001 0.000 0.276 378 R C -1.397 175.052 176.300 0.249 0.000 0.979 378 R CA -0.936 55.277 56.100 0.188 0.000 0.928 378 R CB 1.557 31.977 30.300 0.200 0.000 1.191 378 R HN 0.746 nan 8.270 nan 0.000 0.471 379 K N 3.260 123.758 120.400 0.163 0.000 2.764 379 K HA 0.241 4.561 4.320 0.001 0.000 0.239 379 K C -0.607 176.037 176.600 0.074 0.000 1.048 379 K CA -0.542 55.857 56.287 0.187 0.000 1.057 379 K CB 0.708 33.416 32.500 0.346 0.000 1.251 379 K HN 0.886 nan 8.250 nan 0.000 0.524 380 C N 0.866 120.213 119.300 0.079 0.000 1.976 380 C HA -0.340 4.121 4.460 0.001 0.000 0.111 380 C C 1.729 176.737 174.990 0.030 0.000 0.830 380 C CA 1.735 60.786 59.018 0.055 0.000 0.873 380 C CB -1.390 26.378 27.740 0.047 0.000 3.215 380 C HN 1.035 nan 8.230 nan 0.000 1.057 381 N N 1.541 120.241 118.700 0.001 0.000 2.412 381 N HA 0.132 4.873 4.740 0.001 0.000 0.184 381 N C 0.234 175.685 175.510 -0.099 0.000 1.101 381 N CA 0.478 53.516 53.050 -0.020 0.000 0.881 381 N CB -0.164 38.318 38.487 -0.008 0.000 0.969 381 N HN 0.656 nan 8.380 nan 0.000 0.459 382 R N 0.596 121.002 120.500 -0.157 0.000 2.254 382 R HA 0.413 4.753 4.340 0.001 0.000 0.318 382 R C -0.553 175.434 176.300 -0.523 0.000 1.031 382 R CA -0.350 55.538 56.100 -0.353 0.000 0.905 382 R CB 1.147 31.201 30.300 -0.410 0.000 1.050 382 R HN 0.148 nan 8.270 nan 0.000 0.456 383 I N 4.144 124.351 120.570 -0.606 0.000 2.378 383 I HA 0.288 4.459 4.170 0.001 0.000 0.291 383 I C -0.630 175.110 176.117 -0.628 0.000 0.992 383 I CA -0.632 60.282 61.300 -0.643 0.000 1.154 383 I CB 1.121 38.635 38.000 -0.809 0.000 1.315 383 I HN 0.373 nan 8.210 nan 0.000 0.448 384 F N 5.499 125.348 119.950 -0.168 0.000 2.404 384 F HA 0.463 4.991 4.527 0.001 0.000 0.339 384 F C 0.138 175.853 175.800 -0.142 0.000 1.105 384 F CA -0.850 57.067 58.000 -0.138 0.000 1.087 384 F CB 1.373 40.276 39.000 -0.161 0.000 1.143 384 F HN 0.003 nan 8.300 nan 0.000 0.491 385 V N 5.196 125.130 119.914 0.033 0.000 2.357 385 V HA 0.400 4.521 4.120 0.001 0.000 0.284 385 V C -0.103 175.905 176.094 -0.143 0.000 1.018 385 V CA -0.640 61.583 62.300 -0.128 0.000 0.841 385 V CB 1.176 32.974 31.823 -0.042 0.000 0.991 385 V HN 0.544 nan 8.190 nan 0.000 0.437 386 I N 5.201 125.569 120.570 -0.336 0.000 2.382 386 I HA 0.449 4.619 4.170 0.001 0.000 0.286 386 I C -0.791 175.131 176.117 -0.325 0.000 1.002 386 I CA -0.326 60.845 61.300 -0.216 0.000 1.135 386 I CB 1.429 39.307 38.000 -0.204 0.000 1.288 386 I HN 0.366 nan 8.210 nan 0.000 0.448 387 F N 5.756 125.571 119.950 -0.226 0.000 2.396 387 F HA 0.310 4.838 4.527 0.001 0.000 0.343 387 F C 0.672 176.299 175.800 -0.289 0.000 1.104 387 F CA -0.570 57.295 58.000 -0.226 0.000 1.161 387 F CB 0.857 39.773 39.000 -0.140 0.000 1.146 387 F HN 0.267 nan 8.300 nan 0.000 0.522 388 L N 4.365 125.417 121.223 -0.285 0.000 2.480 388 L HA 0.513 4.854 4.340 0.001 0.000 0.243 388 L C 0.565 177.113 176.870 -0.537 0.000 1.315 388 L CA -0.252 54.155 54.840 -0.722 0.000 1.231 388 L CB -1.213 40.218 42.059 -1.046 0.000 1.444 388 L HN 0.886 nan 8.230 nan 0.000 0.409 389 G N 1.466 110.201 108.800 -0.110 0.000 2.369 389 G HA2 0.122 4.082 3.960 0.001 0.000 0.307 389 G HA3 0.122 4.082 3.960 0.001 0.000 0.307 389 G C -1.275 173.662 174.900 0.061 0.000 1.327 389 G CA -0.990 44.145 45.100 0.058 0.000 0.963 389 G HN 0.140 nan 8.290 nan 0.000 0.590 390 I N 1.252 121.851 120.570 0.049 0.000 2.411 390 I HA 0.343 4.513 4.170 0.001 0.000 0.284 390 I C -2.270 173.836 176.117 -0.018 0.000 1.012 390 I CA -1.827 59.473 61.300 0.001 0.000 1.119 390 I CB 1.808 39.830 38.000 0.035 0.000 1.261 390 I HN 0.171 nan 8.210 nan 0.000 0.448 391 P HA 0.124 nan 4.420 nan 0.000 0.268 391 P C 0.998 178.276 177.300 -0.037 0.000 1.205 391 P CA -0.212 62.859 63.100 -0.048 0.000 0.771 391 P CB 0.770 32.418 31.700 -0.087 0.000 0.858 392 T N -0.389 114.158 114.554 -0.012 0.000 2.732 392 T HA 0.009 4.359 4.350 0.001 0.000 0.261 392 T C 1.189 175.883 174.700 -0.009 0.000 1.040 392 T CA 0.732 62.828 62.100 -0.006 0.000 1.145 392 T CB -1.119 67.751 68.868 0.003 0.000 0.866 392 T HN 0.492 nan 8.240 nan 0.000 0.427 393 G N 0.838 109.635 108.800 -0.006 0.000 2.544 393 G HA2 0.282 4.242 3.960 0.001 0.000 0.242 393 G HA3 0.282 4.242 3.960 0.001 0.000 0.242 393 G C 0.331 175.225 174.900 -0.011 0.000 1.247 393 G CA -0.541 44.558 45.100 -0.003 0.000 0.840 393 G HN 0.560 nan 8.290 nan 0.000 0.578 394 E N -0.053 120.144 120.200 -0.006 0.000 2.481 394 E HA -0.017 4.334 4.350 0.001 0.000 0.195 394 E C 0.889 177.492 176.600 0.005 0.000 1.047 394 E CA 0.268 56.663 56.400 -0.008 0.000 0.867 394 E CB 0.303 30.001 29.700 -0.003 0.000 0.858 394 E HN 0.402 nan 8.360 nan 0.000 0.513 395 K N 1.923 122.331 120.400 0.013 0.000 2.253 395 K HA 0.309 4.630 4.320 0.001 0.000 0.277 395 K C -1.019 175.604 176.600 0.038 0.000 1.053 395 K CA -0.210 56.096 56.287 0.031 0.000 0.892 395 K CB 0.595 33.114 32.500 0.031 0.000 1.102 395 K HN -0.064 nan 8.250 nan 0.000 0.469 396 I N 4.586 125.191 120.570 0.059 0.000 2.406 396 I HA 0.227 4.398 4.170 0.001 0.000 0.290 396 I C -0.747 175.444 176.117 0.123 0.000 0.999 396 I CA -1.171 60.182 61.300 0.089 0.000 1.124 396 I CB 2.088 40.141 38.000 0.089 0.000 1.289 396 I HN 0.238 nan 8.210 nan 0.000 0.441 397 V N 7.472 127.457 119.914 0.118 0.000 2.357 397 V HA 0.425 4.546 4.120 0.001 0.000 0.284 397 V C 0.090 176.258 176.094 0.122 0.000 1.018 397 V CA -0.431 61.936 62.300 0.112 0.000 0.841 397 V CB 1.612 33.483 31.823 0.080 0.000 0.991 397 V HN 0.469 nan 8.190 nan 0.000 0.437 398 I N 4.396 125.044 120.570 0.130 0.000 2.321 398 I HA 0.367 4.538 4.170 0.001 0.000 0.291 398 I C 0.452 176.624 176.117 0.093 0.000 0.998 398 I CA -0.452 60.915 61.300 0.113 0.000 1.227 398 I CB 1.222 39.297 38.000 0.125 0.000 1.368 398 I HN 0.602 nan 8.210 nan 0.000 0.466 399 E N 5.356 125.600 120.200 0.073 0.000 2.360 399 E HA 0.074 4.425 4.350 0.001 0.000 0.269 399 E C -0.678 175.961 176.600 0.064 0.000 1.022 399 E CA -0.174 56.263 56.400 0.061 0.000 0.887 399 E CB 0.395 30.122 29.700 0.045 0.000 0.990 399 E HN 0.492 nan 8.360 nan 0.000 0.426 400 D N 1.149 121.581 120.400 0.054 0.000 2.746 400 D HA -0.186 4.455 4.640 0.001 0.000 0.236 400 D C -1.127 175.204 176.300 0.052 0.000 1.129 400 D CA 0.713 54.740 54.000 0.044 0.000 0.691 400 D CB -1.091 39.730 40.800 0.035 0.000 1.077 400 D HN 0.108 nan 8.370 nan 0.000 0.432 401 L N -0.016 121.247 121.223 0.067 0.000 2.513 401 L HA 0.513 4.853 4.340 0.001 0.000 0.261 401 L C -1.218 175.704 176.870 0.086 0.000 0.945 401 L CA -0.401 54.485 54.840 0.077 0.000 0.848 401 L CB 1.999 44.127 42.059 0.115 0.000 1.334 401 L HN 0.051 nan 8.230 nan 0.000 0.407 402 N N 4.106 122.855 118.700 0.082 0.000 2.321 402 N HA 0.777 5.518 4.740 0.001 0.000 0.290 402 N C -1.816 173.764 175.510 0.117 0.000 1.212 402 N CA -0.749 52.361 53.050 0.101 0.000 0.767 402 N CB 2.472 41.003 38.487 0.075 0.000 1.494 402 N HN 0.446 nan 8.380 nan 0.000 0.479 403 L N 0.900 122.214 121.223 0.152 0.000 2.431 403 L HA 0.332 4.672 4.340 0.001 0.000 0.266 403 L C 0.238 177.212 176.870 0.174 0.000 0.978 403 L CA -0.488 54.439 54.840 0.145 0.000 0.822 403 L CB 2.183 44.292 42.059 0.083 0.000 1.310 403 L HN 0.622 nan 8.230 nan 0.000 0.409 404 S N 0.059 115.837 115.700 0.129 0.000 2.537 404 S HA 0.302 4.773 4.470 0.001 0.000 0.246 404 S C 0.846 175.516 174.600 0.116 0.000 1.036 404 S CA 0.122 58.392 58.200 0.116 0.000 1.041 404 S CB 0.798 64.046 63.200 0.080 0.000 0.799 404 S HN 0.689 nan 8.310 nan 0.000 0.456 405 A N 2.042 124.944 122.820 0.137 0.000 1.831 405 A HA 0.568 4.889 4.320 0.001 0.000 0.213 405 A C 2.002 179.685 177.584 0.164 0.000 1.223 405 A CA 1.226 53.323 52.037 0.100 0.000 0.604 405 A CB -1.256 17.741 19.000 -0.005 0.000 0.878 405 A HN 1.581 nan 8.150 nan 0.000 0.450 406 G N -2.699 106.309 108.800 0.346 0.000 2.284 406 G HA2 -0.095 3.865 3.960 0.001 0.000 0.216 406 G HA3 -0.095 3.865 3.960 0.001 0.000 0.216 406 G C 0.532 175.635 174.900 0.340 0.000 1.009 406 G CA 1.012 46.287 45.100 0.292 0.000 0.625 406 G HN 1.666 nan 8.290 nan 0.000 0.501 407 T N -0.349 114.351 114.554 0.245 0.000 2.921 407 T HA 0.631 4.981 4.350 0.001 0.000 0.297 407 T C -1.438 173.270 174.700 0.014 0.000 1.013 407 T CA 0.037 62.246 62.100 0.182 0.000 0.990 407 T CB 2.037 70.963 68.868 0.096 0.000 1.023 407 T HN 0.887 nan 8.240 nan 0.000 0.447 408 V N 6.106 126.024 119.914 0.006 0.000 2.569 408 V HA 0.602 4.723 4.120 0.001 0.000 0.301 408 V C -0.244 175.862 176.094 0.020 0.000 1.044 408 V CA -0.870 61.359 62.300 -0.118 0.000 0.874 408 V CB 1.905 33.518 31.823 -0.351 0.000 1.002 408 V HN 0.873 nan 8.190 nan 0.000 0.424 409 R N 2.240 122.760 120.500 0.034 0.000 2.732 409 R HA 0.508 4.848 4.340 0.001 0.000 0.278 409 R C -0.485 175.910 176.300 0.158 0.000 0.976 409 R CA -0.897 55.260 56.100 0.095 0.000 0.963 409 R CB 1.762 32.107 30.300 0.076 0.000 1.150 409 R HN 0.795 nan 8.270 nan 0.000 0.478 410 H N 3.550 122.669 119.070 0.081 0.000 2.800 410 H HA -0.012 4.545 4.556 0.001 0.000 0.291 410 H C 0.440 175.857 175.328 0.149 0.000 1.076 410 H CA -0.034 56.084 56.048 0.116 0.000 1.452 410 H CB 0.510 30.317 29.762 0.075 0.000 1.461 410 H HN 0.670 nan 8.280 nan 0.000 0.488 411 F N 5.119 124.968 119.950 -0.167 0.000 2.045 411 F HA -0.338 4.190 4.527 0.001 0.000 0.297 411 F C 1.644 177.430 175.800 -0.024 0.000 1.114 411 F CA 1.912 59.883 58.000 -0.049 0.000 1.207 411 F CB -0.169 38.845 39.000 0.024 0.000 0.964 411 F HN 0.566 nan 8.300 nan 0.000 0.486 412 L N -0.365 120.745 121.223 -0.188 0.000 2.046 412 L HA -0.202 4.138 4.340 0.001 0.000 0.208 412 L C 2.500 179.327 176.870 -0.071 0.000 1.077 412 L CA 2.001 56.724 54.840 -0.195 0.000 0.747 412 L CB -1.039 41.042 42.059 0.036 0.000 0.896 412 L HN 0.460 nan 8.230 nan 0.000 0.432 413 T N -4.843 109.819 114.554 0.180 0.000 3.037 413 T HA 0.204 4.554 4.350 0.001 0.000 0.252 413 T C 1.505 176.227 174.700 0.036 0.000 1.073 413 T CA 0.579 62.729 62.100 0.083 0.000 1.091 413 T CB 0.717 69.628 68.868 0.072 0.000 0.935 413 T HN 0.439 nan 8.240 nan 0.000 0.488 414 G N 1.536 110.375 108.800 0.065 0.000 2.179 414 G HA2 -0.245 3.716 3.960 0.001 0.000 0.260 414 G HA3 -0.245 3.716 3.960 0.001 0.000 0.260 414 G C -0.184 174.752 174.900 0.059 0.000 0.977 414 G CA 0.086 45.201 45.100 0.025 0.000 0.641 414 G HN 0.664 nan 8.290 nan 0.000 0.533 415 E N 0.845 121.095 120.200 0.083 0.000 2.406 415 E HA 0.248 4.598 4.350 0.001 0.000 0.258 415 E C 0.903 177.551 176.600 0.080 0.000 1.043 415 E CA -0.393 56.041 56.400 0.057 0.000 0.929 415 E CB 0.446 30.154 29.700 0.013 0.000 0.969 415 E HN 0.382 nan 8.360 nan 0.000 0.462 416 R N 3.233 123.772 120.500 0.065 0.000 2.523 416 R HA -0.014 4.327 4.340 0.001 0.000 0.281 416 R C -0.529 175.827 176.300 0.095 0.000 0.969 416 R CA 0.571 56.719 56.100 0.080 0.000 1.093 416 R CB 0.170 30.511 30.300 0.068 0.000 0.917 416 R HN 0.422 nan 8.270 nan 0.000 0.408 417 L N 1.887 123.188 121.223 0.131 0.000 2.303 417 L HA 0.447 4.787 4.340 0.001 0.000 0.266 417 L C -0.020 176.984 176.870 0.223 0.000 1.011 417 L CA -0.967 53.962 54.840 0.147 0.000 0.818 417 L CB 1.967 44.114 42.059 0.147 0.000 1.326 417 L HN 0.542 nan 8.230 nan 0.000 0.435 418 S N 1.104 116.916 115.700 0.186 0.000 2.457 418 S HA 0.730 5.201 4.470 0.001 0.000 0.289 418 S C -0.816 173.944 174.600 0.265 0.000 1.163 418 S CA -0.460 57.842 58.200 0.171 0.000 1.078 418 S CB 0.181 63.423 63.200 0.072 0.000 0.987 418 S HN 0.417 nan 8.310 nan 0.000 0.482 419 F N 2.302 122.276 119.950 0.039 0.000 2.711 419 F HA 0.844 5.371 4.527 0.001 0.000 0.313 419 F C -1.206 174.618 175.800 0.039 0.000 1.141 419 F CA -1.118 56.909 58.000 0.046 0.000 0.941 419 F CB 1.202 40.236 39.000 0.058 0.000 1.349 419 F HN 0.665 nan 8.300 nan 0.000 0.464 420 K N 1.068 121.449 120.400 -0.032 0.000 2.578 420 K HA 0.396 4.717 4.320 0.001 0.000 0.269 420 K C -2.158 174.499 176.600 0.096 0.000 0.941 420 K CA -0.866 55.341 56.287 -0.135 0.000 0.847 420 K CB 1.767 34.192 32.500 -0.126 0.000 1.397 420 K HN 0.671 nan 8.250 nan 0.000 0.422 421 N N 1.774 120.525 118.700 0.084 0.000 2.411 421 N HA 0.172 4.912 4.740 0.001 0.000 0.259 421 N C -0.872 174.674 175.510 0.060 0.000 1.103 421 N CA -0.288 52.827 53.050 0.109 0.000 0.954 421 N CB 1.518 40.069 38.487 0.107 0.000 1.085 421 N HN 0.350 nan 8.380 nan 0.000 0.485 422 V N 2.367 122.320 119.914 0.065 0.000 2.240 422 V HA 0.411 4.532 4.120 0.001 0.000 0.265 422 V C 1.156 177.276 176.094 0.042 0.000 1.073 422 V CA -0.134 62.193 62.300 0.044 0.000 0.857 422 V CB -0.009 31.842 31.823 0.045 0.000 1.114 422 V HN 0.979 nan 8.190 nan 0.000 0.469 423 G N 5.219 114.040 108.800 0.034 0.000 2.536 423 G HA2 -0.336 3.625 3.960 0.001 0.000 0.280 423 G HA3 -0.336 3.625 3.960 0.001 0.000 0.280 423 G C 0.864 175.785 174.900 0.036 0.000 1.152 423 G CA 0.581 45.699 45.100 0.030 0.000 0.970 423 G HN 0.878 nan 8.290 nan 0.000 0.549 424 K N 1.103 121.523 120.400 0.034 0.000 2.459 424 K HA 0.218 4.538 4.320 0.001 0.000 0.193 424 K C 0.685 177.313 176.600 0.047 0.000 1.030 424 K CA 0.917 57.225 56.287 0.034 0.000 1.026 424 K CB 0.032 32.547 32.500 0.026 0.000 0.809 424 K HN 0.375 nan 8.250 nan 0.000 0.504 425 N N 0.707 119.441 118.700 0.056 0.000 2.563 425 N HA 0.425 5.166 4.740 0.001 0.000 0.288 425 N C -1.527 174.040 175.510 0.095 0.000 1.246 425 N CA -0.826 52.267 53.050 0.073 0.000 0.946 425 N CB 1.237 39.765 38.487 0.068 0.000 1.213 425 N HN 0.121 nan 8.380 nan 0.000 0.578 426 L N -0.603 120.690 121.223 0.116 0.000 2.410 426 L HA 0.501 4.841 4.340 0.001 0.000 0.270 426 L C -1.004 175.963 176.870 0.161 0.000 0.983 426 L CA -0.265 54.669 54.840 0.156 0.000 0.822 426 L CB 1.691 43.850 42.059 0.167 0.000 1.285 426 L HN 0.445 nan 8.230 nan 0.000 0.409 427 E N 5.244 125.551 120.200 0.179 0.000 2.187 427 E HA 0.649 4.999 4.350 0.001 0.000 0.268 427 E C -1.346 175.381 176.600 0.211 0.000 0.896 427 E CA -0.540 55.956 56.400 0.160 0.000 0.766 427 E CB 2.106 31.871 29.700 0.110 0.000 1.142 427 E HN 0.570 nan 8.360 nan 0.000 0.408 428 I N 1.411 122.092 120.570 0.185 0.000 2.686 428 I HA 0.295 4.465 4.170 0.001 0.000 0.295 428 I C -0.444 175.747 176.117 0.124 0.000 1.114 428 I CA -0.756 60.661 61.300 0.195 0.000 1.038 428 I CB 2.543 40.656 38.000 0.189 0.000 1.238 428 I HN 0.310 nan 8.210 nan 0.000 0.420 429 T N 4.515 119.135 114.554 0.110 0.000 2.771 429 T HA 0.498 4.848 4.350 0.001 0.000 0.281 429 T C -0.425 174.306 174.700 0.052 0.000 0.982 429 T CA -0.434 61.705 62.100 0.065 0.000 0.978 429 T CB 1.487 70.388 68.868 0.054 0.000 0.930 429 T HN 0.228 nan 8.240 nan 0.000 0.447 430 V N 6.495 126.421 119.914 0.020 0.000 2.349 430 V HA 0.316 4.436 4.120 0.001 0.000 0.284 430 V C -2.418 173.665 176.094 -0.019 0.000 1.014 430 V CA -2.383 59.919 62.300 0.003 0.000 0.826 430 V CB 1.177 32.986 31.823 -0.024 0.000 1.009 430 V HN 0.666 nan 8.190 nan 0.000 0.431 431 P HA 0.033 nan 4.420 nan 0.000 0.258 431 P C 0.796 178.065 177.300 -0.052 0.000 1.187 431 P CA 0.071 63.147 63.100 -0.040 0.000 0.767 431 P CB 0.537 32.206 31.700 -0.052 0.000 0.770 432 K N 5.161 125.540 120.400 -0.034 0.000 2.366 432 K HA -0.249 4.072 4.320 0.001 0.000 0.202 432 K C 1.615 178.194 176.600 -0.036 0.000 1.045 432 K CA 1.874 58.144 56.287 -0.029 0.000 0.934 432 K CB -0.053 32.436 32.500 -0.017 0.000 0.746 432 K HN 0.389 nan 8.250 nan 0.000 0.470 433 K N -0.010 120.360 120.400 -0.050 0.000 2.057 433 K HA -0.133 4.188 4.320 0.001 0.000 0.206 433 K C 1.826 178.376 176.600 -0.085 0.000 1.050 433 K CA 1.465 57.719 56.287 -0.055 0.000 0.935 433 K CB -0.305 32.161 32.500 -0.057 0.000 0.715 433 K HN 0.083 nan 8.250 nan 0.000 0.439 434 L N 1.092 122.222 121.223 -0.155 0.000 2.023 434 L HA -0.075 4.266 4.340 0.001 0.000 0.205 434 L C 2.667 179.477 176.870 -0.099 0.000 1.073 434 L CA 1.045 55.697 54.840 -0.315 0.000 0.745 434 L CB -0.815 40.840 42.059 -0.675 0.000 0.900 434 L HN 0.178 nan 8.230 nan 0.000 0.435 435 L N 0.146 121.344 121.223 -0.041 0.000 2.034 435 L HA -0.304 4.036 4.340 0.001 0.000 0.217 435 L C 2.457 179.362 176.870 0.058 0.000 1.077 435 L CA 1.655 56.514 54.840 0.033 0.000 0.769 435 L CB -0.507 41.546 42.059 -0.010 0.000 0.890 435 L HN 0.372 nan 8.230 nan 0.000 0.435 436 E N -1.282 118.933 120.200 0.026 0.000 2.418 436 E HA -0.172 4.178 4.350 0.001 0.000 0.197 436 E C 1.971 178.607 176.600 0.061 0.000 1.026 436 E CA 0.861 57.284 56.400 0.038 0.000 0.862 436 E CB 0.184 29.894 29.700 0.017 0.000 0.799 436 E HN 0.290 nan 8.360 nan 0.000 0.518 437 T N 0.140 114.738 114.554 0.074 0.000 3.014 437 T HA -0.055 4.295 4.350 0.001 0.000 0.263 437 T C 0.345 175.146 174.700 0.167 0.000 1.078 437 T CA 0.190 62.349 62.100 0.097 0.000 1.135 437 T CB 0.052 68.968 68.868 0.079 0.000 0.895 437 T HN 0.053 nan 8.240 nan 0.000 0.480 438 D N 1.058 121.602 120.400 0.240 0.000 2.372 438 D HA 0.125 4.765 4.640 0.001 0.000 0.243 438 D C 0.878 177.350 176.300 0.286 0.000 1.121 438 D CA 0.071 54.266 54.000 0.326 0.000 0.898 438 D CB 1.729 42.721 40.800 0.320 0.000 1.202 438 D HN 0.161 nan 8.370 nan 0.000 0.428 439 S N 1.270 117.219 115.700 0.414 0.000 2.315 439 S HA 0.041 4.511 4.470 0.001 0.000 0.211 439 S C 1.648 176.431 174.600 0.304 0.000 1.029 439 S CA 0.533 58.944 58.200 0.352 0.000 0.956 439 S CB 0.088 63.547 63.200 0.432 0.000 0.918 439 S HN 0.486 nan 8.310 nan 0.000 0.470 440 I N 0.516 121.309 120.570 0.372 0.000 4.471 440 I HA 0.194 4.365 4.170 0.001 0.000 0.326 440 I C -0.209 176.025 176.117 0.195 0.000 1.300 440 I CA 0.113 61.542 61.300 0.214 0.000 1.237 440 I CB 1.201 39.244 38.000 0.071 0.000 1.195 440 I HN 0.324 nan 8.210 nan 0.000 0.427 441 T N -0.200 114.451 114.554 0.163 0.000 2.886 441 T HA 0.583 4.934 4.350 0.001 0.000 0.292 441 T C -0.819 173.876 174.700 -0.007 0.000 1.012 441 T CA -0.672 61.461 62.100 0.054 0.000 0.982 441 T CB 2.415 71.278 68.868 -0.007 0.000 1.018 441 T HN -0.039 nan 8.240 nan 0.000 0.451 442 L N 3.411 124.653 121.223 0.033 0.000 2.380 442 L HA 0.737 5.078 4.340 0.001 0.000 0.273 442 L C -1.010 175.909 176.870 0.081 0.000 1.138 442 L CA -0.098 54.730 54.840 -0.022 0.000 0.832 442 L CB 0.702 42.553 42.059 -0.346 0.000 1.124 442 L HN 0.659 nan 8.230 nan 0.000 0.454 443 V N 6.400 126.337 119.914 0.040 0.000 2.577 443 V HA 0.507 4.627 4.120 0.001 0.000 0.303 443 V C -0.161 175.995 176.094 0.103 0.000 1.042 443 V CA -0.544 61.794 62.300 0.063 0.000 0.872 443 V CB 1.604 33.360 31.823 -0.112 0.000 0.998 443 V HN 0.742 nan 8.190 nan 0.000 0.423 444 L N 3.120 124.448 121.223 0.175 0.000 2.323 444 L HA 0.752 5.092 4.340 0.001 0.000 0.265 444 L C -0.369 176.593 176.870 0.154 0.000 1.012 444 L CA -0.636 54.303 54.840 0.166 0.000 0.820 444 L CB 2.350 44.513 42.059 0.173 0.000 1.334 444 L HN 0.685 nan 8.230 nan 0.000 0.427 445 E N 0.926 121.196 120.200 0.116 0.000 2.224 445 E HA 0.713 5.063 4.350 0.001 0.000 0.265 445 E C -1.606 174.927 176.600 -0.111 0.000 0.878 445 E CA -0.640 55.753 56.400 -0.011 0.000 0.759 445 E CB 2.123 31.898 29.700 0.126 0.000 1.164 445 E HN 0.693 nan 8.360 nan 0.000 0.414 446 A N 3.251 125.934 122.820 -0.229 0.000 2.355 446 A HA 0.690 5.011 4.320 0.001 0.000 0.324 446 A C -1.193 176.254 177.584 -0.229 0.000 1.117 446 A CA -0.642 51.254 52.037 -0.235 0.000 0.785 446 A CB 1.709 20.535 19.000 -0.291 0.000 1.254 446 A HN 0.385 nan 8.150 nan 0.000 0.453 447 V N 2.527 122.351 119.914 -0.150 0.000 2.525 447 V HA 0.412 4.532 4.120 0.001 0.000 0.299 447 V C -0.190 175.872 176.094 -0.054 0.000 1.034 447 V CA -0.538 61.698 62.300 -0.107 0.000 0.863 447 V CB 1.316 33.098 31.823 -0.068 0.000 0.999 447 V HN 1.103 nan 8.190 nan 0.000 0.423 448 E N 0.000 120.176 120.200 -0.040 0.000 2.725 448 E HA 0.000 4.350 4.350 0.001 0.000 0.291 448 E CA 0.000 56.404 56.400 0.006 0.000 0.976 448 E CB 0.000 29.717 29.700 0.029 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440