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 2z1k_1_A DATA FIRST_RESID 2 DATA SEQUENCE AWYEGAFFYQ IFPDRFFRAG PPGRPAPAGP FEPWEAPPTL RGFKGGTLWG DATA SEQUENCE VAEKLPYLLD LGVEAIYLNP VFASTANHRY HTVDYFQVDP ILGGNEALRH DATA SEQUENCE LLEVAHAHGV RVILDGVFNH TGRGFFAFQH LXENGEQSPY RDWYHVKGFP DATA SEQUENCE LKAYTAHPNY EAWWGNPELP KLKVETPAVR EYLLAVAEHW IRFGVDGWRL DATA SEQUENCE DVPNEIPDPT FWREFRQRVK GANPEAYIVG EIWEEADFWL QGDXFDAVXN DATA SEQUENCE YPLARAVLGF VGGEALDRDL AAQTGLGRIE PLQALAFSHR LEDLFGRYRP DATA SEQUENCE EVVRAQXNLL TSHDTPRLLS LXRGSVERAR LALALLFLLP GNPTVYYGEE DATA SEQUENCE VGXAGGKDPE NRGGXVWEEA RWQKDLRETV KRLARLRKEH PALRTAPYLR DATA SEQUENCE IYAQDGHLAF ARGPYLAVVN ASPHPFRQDF PLHGVFPRGG RAVDLLSGEV DATA SEQUENCE cTPQGGRLcG PVLPPFSLAL WREA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.340 177.584 -0.407 0.000 1.274 2 A CA 0.000 51.766 52.037 -0.452 0.000 0.836 2 A CB 0.000 18.894 19.000 -0.177 0.000 0.831 3 W N 1.550 122.680 121.300 -0.284 0.000 2.425 3 W HA -0.024 4.614 4.660 -0.036 0.000 0.277 3 W C 1.212 177.662 176.519 -0.116 0.000 1.231 3 W CA 1.717 58.980 57.345 -0.137 0.000 1.248 3 W CB -0.910 28.526 29.460 -0.040 0.000 1.117 3 W HN 0.673 nan 8.180 nan 0.000 0.568 4 Y N 1.270 120.968 120.300 -1.003 0.000 2.547 4 Y HA 0.470 4.999 4.550 -0.035 0.000 0.325 4 Y C -0.085 175.496 175.900 -0.531 0.000 1.165 4 Y CA -0.404 57.034 58.100 -1.103 0.000 1.300 4 Y CB -0.981 36.265 38.460 -2.023 0.000 1.126 4 Y HN -0.037 nan 8.280 nan 0.000 0.513 5 E N 1.035 121.041 120.200 -0.323 0.000 2.751 5 E HA 0.448 4.777 4.350 -0.036 0.000 0.219 5 E C 0.499 177.073 176.600 -0.044 0.000 1.060 5 E CA -0.131 56.177 56.400 -0.153 0.000 0.893 5 E CB 0.660 30.243 29.700 -0.194 0.000 1.300 5 E HN 0.689 nan 8.360 nan 0.000 0.433 6 G N 1.223 110.035 108.800 0.020 0.000 2.227 6 G HA2 -0.171 3.768 3.960 -0.036 0.000 0.168 6 G HA3 -0.171 3.768 3.960 -0.036 0.000 0.168 6 G C 0.418 175.402 174.900 0.140 0.000 1.006 6 G CA -0.329 44.811 45.100 0.067 0.000 0.684 6 G HN 0.585 nan 8.290 nan 0.000 0.489 7 A N 0.567 123.498 122.820 0.185 0.000 2.445 7 A HA 0.563 4.862 4.320 -0.036 0.000 0.242 7 A C 0.022 177.836 177.584 0.384 0.000 1.075 7 A CA -0.109 52.081 52.037 0.257 0.000 0.777 7 A CB 0.238 19.385 19.000 0.245 0.000 1.013 7 A HN 1.280 nan 8.150 nan 0.000 0.493 8 F N 3.057 123.102 119.950 0.159 0.000 2.413 8 F HA 0.544 5.051 4.527 -0.035 0.000 0.359 8 F C -1.075 174.821 175.800 0.160 0.000 1.122 8 F CA -1.499 56.631 58.000 0.217 0.000 1.160 8 F CB -0.495 38.680 39.000 0.292 0.000 1.146 8 F HN 0.385 nan 8.300 nan 0.000 0.514 9 F N 6.234 126.457 119.950 0.454 0.000 2.422 9 F HA 0.361 4.867 4.527 -0.036 0.000 0.333 9 F C -0.938 174.997 175.800 0.224 0.000 1.095 9 F CA -0.550 57.595 58.000 0.241 0.000 1.038 9 F CB 1.307 40.458 39.000 0.250 0.000 1.156 9 F HN 0.420 nan 8.300 nan 0.000 0.483 10 Y N 3.369 123.748 120.300 0.132 0.000 2.338 10 Y HA 0.281 4.809 4.550 -0.036 0.000 0.333 10 Y C -0.621 175.359 175.900 0.134 0.000 0.968 10 Y CA -0.838 57.307 58.100 0.075 0.000 1.123 10 Y CB 1.204 39.570 38.460 -0.157 0.000 1.165 10 Y HN 0.556 nan 8.280 nan 0.000 0.452 11 Q N 6.669 126.450 119.800 -0.033 0.000 2.296 11 Q HA 0.543 4.862 4.340 -0.036 0.000 0.257 11 Q C -1.506 174.368 176.000 -0.211 0.000 0.942 11 Q CA -0.378 55.385 55.803 -0.067 0.000 0.939 11 Q CB 0.759 29.570 28.738 0.121 0.000 1.198 11 Q HN 0.788 nan 8.270 nan 0.000 0.429 12 I N 3.927 124.317 120.570 -0.299 0.000 2.433 12 I HA 0.277 4.425 4.170 -0.036 0.000 0.292 12 I C -0.898 174.994 176.117 -0.375 0.000 1.001 12 I CA -0.871 60.187 61.300 -0.404 0.000 1.119 12 I CB 1.404 39.091 38.000 -0.522 0.000 1.289 12 I HN 0.642 nan 8.210 nan 0.000 0.438 13 F N 8.932 128.516 119.950 -0.610 0.000 2.334 13 F HA 0.390 4.896 4.527 -0.036 0.000 0.365 13 F C -1.705 173.874 175.800 -0.367 0.000 1.124 13 F CA -2.067 55.683 58.000 -0.416 0.000 1.166 13 F CB 0.783 39.609 39.000 -0.289 0.000 1.355 13 F HN 0.317 nan 8.300 nan 0.000 0.532 14 P HA -0.319 nan 4.420 nan 0.000 0.222 14 P C 1.159 178.411 177.300 -0.080 0.000 1.159 14 P CA 1.971 64.928 63.100 -0.238 0.000 0.920 14 P CB 0.190 31.684 31.700 -0.344 0.000 0.793 15 D N -2.122 118.201 120.400 -0.128 0.000 2.350 15 D HA -0.114 4.504 4.640 -0.036 0.000 0.216 15 D C 1.137 177.481 176.300 0.073 0.000 0.968 15 D CA 0.702 54.699 54.000 -0.006 0.000 0.894 15 D CB -0.005 40.748 40.800 -0.078 0.000 0.909 15 D HN -0.023 nan 8.370 nan 0.000 0.520 16 R N -0.775 119.793 120.500 0.113 0.000 2.565 16 R HA 0.124 4.443 4.340 -0.036 0.000 0.347 16 R C 0.487 176.957 176.300 0.284 0.000 1.010 16 R CA -0.237 55.863 56.100 0.001 0.000 1.126 16 R CB -0.352 29.928 30.300 -0.032 0.000 1.331 16 R HN 0.211 nan 8.270 nan 0.000 0.552 17 F N 0.291 120.407 119.950 0.277 0.000 2.202 17 F HA 0.309 4.814 4.527 -0.036 0.000 0.279 17 F C 0.011 176.353 175.800 0.903 0.000 1.077 17 F CA 0.194 58.462 58.000 0.447 0.000 1.193 17 F CB 0.350 39.495 39.000 0.241 0.000 1.090 17 F HN -0.121 nan 8.300 nan 0.000 0.516 18 F N 0.939 121.147 119.950 0.429 0.000 2.622 18 F HA 0.360 4.866 4.527 -0.035 0.000 0.318 18 F C -0.590 175.170 175.800 -0.066 0.000 1.135 18 F CA -1.297 56.683 58.000 -0.032 0.000 1.015 18 F CB 0.857 39.682 39.000 -0.292 0.000 1.275 18 F HN -0.163 nan 8.300 nan 0.000 0.457 19 R N 4.447 124.381 120.500 -0.944 0.000 2.202 19 R HA 0.819 5.138 4.340 -0.036 0.000 0.334 19 R C -1.399 174.372 176.300 -0.882 0.000 1.036 19 R CA 0.035 55.731 56.100 -0.672 0.000 0.878 19 R CB 0.488 30.487 30.300 -0.502 0.000 1.067 19 R HN 0.842 nan 8.270 nan 0.000 0.457 20 A N 2.902 125.457 122.820 -0.442 0.000 2.610 20 A HA 0.705 5.004 4.320 -0.036 0.000 0.291 20 A C -0.435 177.109 177.584 -0.066 0.000 1.086 20 A CA -0.239 51.614 52.037 -0.306 0.000 0.677 20 A CB 1.174 20.010 19.000 -0.273 0.000 1.278 20 A HN 1.065 nan 8.150 nan 0.000 0.414 21 G N -0.041 108.655 108.800 -0.173 0.000 2.860 21 G HA2 0.100 4.038 3.960 -0.036 0.000 0.553 21 G HA3 0.100 4.038 3.960 -0.036 0.000 0.553 21 G C -2.551 172.215 174.900 -0.224 0.000 1.439 21 G CA -0.182 44.683 45.100 -0.392 0.000 0.879 21 G HN 1.163 nan 8.290 nan 0.000 0.545 22 P HA 0.410 nan 4.420 nan 0.000 0.284 22 P C -2.358 175.083 177.300 0.235 0.000 1.253 22 P CA -1.251 61.826 63.100 -0.038 0.000 0.800 22 P CB 1.431 33.068 31.700 -0.105 0.000 0.961 23 P HA 0.156 nan 4.420 nan 0.000 0.276 23 P C 0.362 177.790 177.300 0.213 0.000 1.261 23 P CA 0.062 63.298 63.100 0.226 0.000 0.800 23 P CB 0.654 32.461 31.700 0.178 0.000 1.066 24 G N 0.124 109.031 108.800 0.179 0.000 2.532 24 G HA2 0.406 4.345 3.960 -0.036 0.000 0.291 24 G HA3 0.406 4.345 3.960 -0.036 0.000 0.291 24 G C -0.708 174.259 174.900 0.111 0.000 1.349 24 G CA -0.716 44.475 45.100 0.152 0.000 1.038 24 G HN 0.575 nan 8.290 nan 0.000 0.518 25 R N -0.097 120.461 120.500 0.097 0.000 2.393 25 R HA 0.457 4.776 4.340 -0.036 0.000 0.310 25 R C -2.440 173.900 176.300 0.067 0.000 0.968 25 R CA -1.330 54.813 56.100 0.072 0.000 0.867 25 R CB 1.198 31.539 30.300 0.067 0.000 1.124 25 R HN 0.248 nan 8.270 nan 0.000 0.450 26 P HA 0.134 nan 4.420 nan 0.000 0.271 26 P C -1.204 176.115 177.300 0.033 0.000 1.226 26 P CA -0.226 62.895 63.100 0.034 0.000 0.765 26 P CB 1.376 33.089 31.700 0.022 0.000 0.835 27 A N 5.748 128.586 122.820 0.031 0.000 2.388 27 A HA 0.466 4.765 4.320 -0.036 0.000 0.257 27 A C -1.660 175.922 177.584 -0.002 0.000 1.095 27 A CA -1.012 51.045 52.037 0.034 0.000 0.791 27 A CB -0.745 18.277 19.000 0.037 0.000 1.029 27 A HN 0.470 nan 8.150 nan 0.000 0.489 28 P HA 0.404 nan 4.420 nan 0.000 0.272 28 P C -0.676 176.550 177.300 -0.122 0.000 1.223 28 P CA -0.033 63.008 63.100 -0.099 0.000 0.784 28 P CB 1.272 32.885 31.700 -0.144 0.000 0.923 29 A N 1.431 124.163 122.820 -0.147 0.000 3.082 29 A HA 0.672 4.971 4.320 -0.036 0.000 0.328 29 A C -0.001 177.493 177.584 -0.149 0.000 1.089 29 A CA -0.003 51.960 52.037 -0.123 0.000 0.802 29 A CB 0.157 19.113 19.000 -0.074 0.000 1.138 29 A HN 0.830 nan 8.150 nan 0.000 0.474 30 G N 0.843 109.512 108.800 -0.219 0.000 2.368 30 G HA2 0.579 4.517 3.960 -0.036 0.000 0.293 30 G HA3 0.579 4.517 3.960 -0.036 0.000 0.293 30 G C -3.435 171.291 174.900 -0.290 0.000 1.467 30 G CA -0.663 44.314 45.100 -0.204 0.000 0.804 30 G HN 0.309 nan 8.290 nan 0.000 0.535 31 P HA 0.623 nan 4.420 nan 0.000 0.274 31 P C -0.994 176.218 177.300 -0.146 0.000 1.231 31 P CA -0.334 62.688 63.100 -0.129 0.000 0.790 31 P CB 0.478 32.167 31.700 -0.019 0.000 0.951 32 F N 0.161 120.160 119.950 0.081 0.000 2.397 32 F HA 0.218 4.724 4.527 -0.035 0.000 0.331 32 F C 1.292 177.169 175.800 0.129 0.000 1.090 32 F CA -0.819 57.255 58.000 0.123 0.000 1.065 32 F CB 0.708 39.798 39.000 0.150 0.000 1.184 32 F HN 0.317 nan 8.300 nan 0.000 0.499 33 E N 4.937 125.364 120.200 0.378 0.000 2.465 33 E HA 0.029 4.357 4.350 -0.036 0.000 0.260 33 E C -2.193 174.545 176.600 0.230 0.000 0.980 33 E CA -1.513 55.028 56.400 0.234 0.000 0.927 33 E CB 0.418 30.229 29.700 0.186 0.000 0.934 33 E HN 0.148 nan 8.360 nan 0.000 0.459 34 P HA -0.182 nan 4.420 nan 0.000 0.265 34 P C 0.481 177.915 177.300 0.223 0.000 1.187 34 P CA 0.185 63.409 63.100 0.208 0.000 0.766 34 P CB 0.396 32.189 31.700 0.155 0.000 0.820 35 W N 3.852 125.204 121.300 0.085 0.000 2.317 35 W HA -0.183 4.456 4.660 -0.036 0.000 0.318 35 W C 1.064 177.632 176.519 0.081 0.000 1.227 35 W CA 1.745 59.140 57.345 0.084 0.000 1.269 35 W CB -0.141 29.373 29.460 0.090 0.000 1.155 35 W HN 0.471 nan 8.180 nan 0.000 0.484 36 E N 0.092 120.447 120.200 0.259 0.000 2.494 36 E HA 0.140 4.468 4.350 -0.036 0.000 0.193 36 E C 0.558 177.193 176.600 0.058 0.000 1.074 36 E CA -0.172 56.313 56.400 0.142 0.000 0.867 36 E CB 0.025 29.837 29.700 0.186 0.000 0.924 36 E HN 0.032 nan 8.360 nan 0.000 0.502 37 A N 2.483 125.328 122.820 0.042 0.000 2.304 37 A HA 0.365 4.664 4.320 -0.036 0.000 0.271 37 A C -2.356 175.221 177.584 -0.012 0.000 1.091 37 A CA -1.494 50.559 52.037 0.028 0.000 0.812 37 A CB 0.100 19.129 19.000 0.049 0.000 1.056 37 A HN -0.123 nan 8.150 nan 0.000 0.489 38 P HA 0.207 nan 4.420 nan 0.000 0.263 38 P C -2.426 174.857 177.300 -0.027 0.000 1.195 38 P CA -0.369 62.721 63.100 -0.017 0.000 0.762 38 P CB -0.171 31.528 31.700 -0.003 0.000 0.799 39 P HA 0.067 nan 4.420 nan 0.000 0.268 39 P C -0.018 177.267 177.300 -0.025 0.000 1.205 39 P CA 0.225 63.290 63.100 -0.058 0.000 0.771 39 P CB 0.389 32.037 31.700 -0.087 0.000 0.858 40 T N -0.343 114.206 114.554 -0.009 0.000 2.905 40 T HA 0.333 4.662 4.350 -0.036 0.000 0.283 40 T C 0.742 175.456 174.700 0.024 0.000 1.031 40 T CA -0.688 61.422 62.100 0.016 0.000 1.002 40 T CB 0.492 69.382 68.868 0.038 0.000 1.200 40 T HN 0.023 nan 8.240 nan 0.000 0.560 41 L N 0.036 121.287 121.223 0.046 0.000 2.156 41 L HA 0.237 4.556 4.340 -0.036 0.000 0.208 41 L C 2.326 179.243 176.870 0.079 0.000 1.095 41 L CA 1.476 56.358 54.840 0.071 0.000 0.770 41 L CB -0.517 41.591 42.059 0.081 0.000 0.914 41 L HN 0.579 nan 8.230 nan 0.000 0.439 42 R N -1.207 119.341 120.500 0.081 0.000 2.446 42 R HA 0.348 4.667 4.340 -0.036 0.000 0.254 42 R C 0.697 177.081 176.300 0.140 0.000 0.918 42 R CA 0.434 56.601 56.100 0.111 0.000 1.069 42 R CB -0.337 30.053 30.300 0.150 0.000 1.194 42 R HN 0.250 nan 8.270 nan 0.000 0.534 43 G N 0.949 109.807 108.800 0.096 0.000 2.441 43 G HA2 0.295 4.234 3.960 -0.036 0.000 0.243 43 G HA3 0.295 4.234 3.960 -0.036 0.000 0.243 43 G C -0.892 174.054 174.900 0.078 0.000 1.281 43 G CA -0.137 45.052 45.100 0.149 0.000 0.854 43 G HN -0.002 nan 8.290 nan 0.000 0.560 44 F N 0.414 120.458 119.950 0.156 0.000 2.444 44 F HA 0.394 4.899 4.527 -0.035 0.000 0.342 44 F C 1.312 177.231 175.800 0.199 0.000 1.121 44 F CA -0.704 57.409 58.000 0.188 0.000 0.997 44 F CB 2.689 41.880 39.000 0.318 0.000 1.130 44 F HN 0.422 nan 8.300 nan 0.000 0.454 45 K N 1.771 122.260 120.400 0.149 0.000 2.352 45 K HA 0.234 4.532 4.320 -0.036 0.000 0.194 45 K C 1.195 177.740 176.600 -0.092 0.000 1.038 45 K CA 0.564 56.901 56.287 0.083 0.000 1.023 45 K CB 0.507 32.916 32.500 -0.152 0.000 0.840 45 K HN 0.981 nan 8.250 nan 0.000 0.519 46 G N 1.588 110.178 108.800 -0.350 0.000 2.132 46 G HA2 -0.219 3.720 3.960 -0.036 0.000 0.234 46 G HA3 -0.219 3.720 3.960 -0.036 0.000 0.234 46 G C 0.375 175.130 174.900 -0.242 0.000 0.989 46 G CA -0.241 44.342 45.100 -0.862 0.000 0.676 46 G HN 0.449 nan 8.290 nan 0.000 0.522 47 G N -0.144 108.709 108.800 0.089 0.000 2.559 47 G HA2 0.596 4.535 3.960 -0.036 0.000 0.235 47 G HA3 0.596 4.535 3.960 -0.036 0.000 0.235 47 G C 0.514 175.447 174.900 0.055 0.000 1.266 47 G CA 1.387 46.602 45.100 0.192 0.000 0.847 47 G HN 1.618 nan 8.290 nan 0.000 0.583 48 T N -1.015 113.578 114.554 0.065 0.000 2.887 48 T HA 0.462 4.791 4.350 -0.036 0.000 0.292 48 T C 1.242 175.970 174.700 0.046 0.000 1.087 48 T CA -0.953 61.177 62.100 0.050 0.000 1.009 48 T CB 1.358 70.310 68.868 0.140 0.000 1.203 48 T HN 0.175 nan 8.240 nan 0.000 0.518 49 L N -0.820 120.357 121.223 -0.077 0.000 2.313 49 L HA 0.159 4.478 4.340 -0.036 0.000 0.214 49 L C 2.111 178.974 176.870 -0.011 0.000 1.119 49 L CA 0.606 55.376 54.840 -0.115 0.000 0.809 49 L CB -0.363 41.537 42.059 -0.265 0.000 0.933 49 L HN 0.723 nan 8.230 nan 0.000 0.449 50 W N 0.272 121.612 121.300 0.067 0.000 2.358 50 W HA -0.111 4.528 4.660 -0.036 0.000 0.303 50 W C 2.512 179.098 176.519 0.111 0.000 1.208 50 W CA 0.830 58.232 57.345 0.094 0.000 1.274 50 W CB -0.615 28.866 29.460 0.035 0.000 1.138 50 W HN 0.112 nan 8.180 nan 0.000 0.515 51 G N 0.145 109.144 108.800 0.331 0.000 2.422 51 G HA2 -0.235 3.704 3.960 -0.036 0.000 0.218 51 G HA3 -0.235 3.704 3.960 -0.036 0.000 0.218 51 G C 1.423 176.562 174.900 0.398 0.000 1.146 51 G CA 1.419 46.736 45.100 0.361 0.000 0.769 51 G HN 0.133 nan 8.290 nan 0.000 0.547 52 V N 1.598 121.715 119.914 0.338 0.000 2.343 52 V HA -0.165 3.934 4.120 -0.036 0.000 0.247 52 V C 3.327 179.533 176.094 0.187 0.000 1.051 52 V CA 2.047 64.541 62.300 0.324 0.000 1.036 52 V CB -0.877 31.008 31.823 0.102 0.000 0.654 52 V HN 0.469 nan 8.190 nan 0.000 0.451 53 A N -0.620 122.283 122.820 0.138 0.000 1.933 53 A HA -0.244 4.055 4.320 -0.036 0.000 0.218 53 A C 2.179 179.813 177.584 0.083 0.000 1.175 53 A CA 1.846 53.925 52.037 0.071 0.000 0.628 53 A CB -0.457 18.609 19.000 0.111 0.000 0.814 53 A HN 0.628 nan 8.150 nan 0.000 0.444 54 E N -0.418 119.871 120.200 0.148 0.000 2.150 54 E HA -0.113 4.215 4.350 -0.036 0.000 0.193 54 E C 1.044 177.603 176.600 -0.067 0.000 0.985 54 E CA 0.800 57.242 56.400 0.070 0.000 0.814 54 E CB 0.026 29.810 29.700 0.139 0.000 0.752 54 E HN 0.272 nan 8.360 nan 0.000 0.466 55 K N 0.649 121.017 120.400 -0.052 0.000 2.458 55 K HA 0.022 4.320 4.320 -0.036 0.000 0.194 55 K C 1.630 178.282 176.600 0.086 0.000 1.024 55 K CA -0.013 56.210 56.287 -0.106 0.000 1.108 55 K CB 0.151 32.581 32.500 -0.116 0.000 0.846 55 K HN 0.094 nan 8.250 nan 0.000 0.518 56 L N 2.725 123.952 121.223 0.006 0.000 2.042 56 L HA -0.109 4.210 4.340 -0.036 0.000 0.210 56 L C -0.984 175.832 176.870 -0.090 0.000 1.076 56 L CA 1.992 56.792 54.840 -0.068 0.000 0.749 56 L CB -0.962 40.983 42.059 -0.190 0.000 0.893 56 L HN 0.065 nan 8.230 nan 0.000 0.432 57 P HA -0.276 nan 4.420 nan 0.000 0.218 57 P C 1.423 178.723 177.300 0.001 0.000 1.148 57 P CA 1.670 64.729 63.100 -0.068 0.000 0.822 57 P CB -0.338 31.332 31.700 -0.049 0.000 0.784 58 Y N 1.189 121.471 120.300 -0.031 0.000 2.200 58 Y HA -0.134 4.395 4.550 -0.035 0.000 0.290 58 Y C 2.380 178.272 175.900 -0.014 0.000 1.137 58 Y CA 1.422 59.552 58.100 0.050 0.000 1.163 58 Y CB -1.121 37.458 38.460 0.198 0.000 0.988 58 Y HN -0.252 nan 8.280 nan 0.000 0.518 59 L N -0.456 120.724 121.223 -0.071 0.000 2.093 59 L HA -0.206 4.112 4.340 -0.036 0.000 0.208 59 L C 2.413 179.119 176.870 -0.274 0.000 1.085 59 L CA 0.939 55.609 54.840 -0.283 0.000 0.755 59 L CB -0.563 41.357 42.059 -0.232 0.000 0.904 59 L HN 0.283 nan 8.230 nan 0.000 0.435 60 L N -0.325 120.789 121.223 -0.182 0.000 2.056 60 L HA -0.226 4.092 4.340 -0.036 0.000 0.207 60 L C 2.248 179.048 176.870 -0.116 0.000 1.078 60 L CA 1.436 56.197 54.840 -0.131 0.000 0.749 60 L CB -0.578 41.421 42.059 -0.100 0.000 0.901 60 L HN 0.313 nan 8.230 nan 0.000 0.433 61 D N 0.418 120.732 120.400 -0.143 0.000 2.123 61 D HA -0.240 4.378 4.640 -0.036 0.000 0.196 61 D C 2.086 178.300 176.300 -0.143 0.000 0.992 61 D CA 1.039 54.965 54.000 -0.124 0.000 0.833 61 D CB 0.045 40.770 40.800 -0.125 0.000 0.954 61 D HN 0.078 nan 8.370 nan 0.000 0.455 62 L N -0.537 120.539 121.223 -0.245 0.000 2.201 62 L HA 0.151 4.470 4.340 -0.036 0.000 0.212 62 L C 1.760 178.665 176.870 0.058 0.000 1.105 62 L CA 1.812 56.560 54.840 -0.153 0.000 0.775 62 L CB -0.207 41.686 42.059 -0.276 0.000 0.913 62 L HN 0.391 nan 8.230 nan 0.000 0.440 63 G N -1.947 106.861 108.800 0.014 0.000 2.154 63 G HA2 -0.198 3.741 3.960 -0.036 0.000 0.186 63 G HA3 -0.198 3.741 3.960 -0.036 0.000 0.186 63 G C 0.204 175.183 174.900 0.133 0.000 1.000 63 G CA -0.025 45.154 45.100 0.131 0.000 0.664 63 G HN 0.171 nan 8.290 nan 0.000 0.513 64 V N 0.731 120.511 119.914 -0.223 0.000 2.617 64 V HA 0.174 4.272 4.120 -0.036 0.000 0.304 64 V C 1.359 177.298 176.094 -0.259 0.000 1.040 64 V CA 1.541 63.510 62.300 -0.550 0.000 1.149 64 V CB 1.128 32.597 31.823 -0.590 0.000 0.914 64 V HN 0.539 nan 8.190 nan 0.000 0.487 65 E N 2.761 122.827 120.200 -0.223 0.000 2.447 65 E HA 0.474 4.803 4.350 -0.036 0.000 0.204 65 E C 0.332 176.773 176.600 -0.264 0.000 0.977 65 E CA 0.493 56.809 56.400 -0.139 0.000 0.950 65 E CB 1.059 30.762 29.700 0.004 0.000 0.975 65 E HN 0.803 nan 8.360 nan 0.000 0.496 66 A N 1.121 123.692 122.820 -0.415 0.000 2.574 66 A HA 0.621 4.919 4.320 -0.036 0.000 0.297 66 A C -1.411 175.974 177.584 -0.332 0.000 1.062 66 A CA -0.643 51.075 52.037 -0.532 0.000 0.686 66 A CB 1.139 19.433 19.000 -1.177 0.000 1.285 66 A HN 0.069 nan 8.150 nan 0.000 0.403 67 I N 2.066 122.567 120.570 -0.115 0.000 2.406 67 I HA 0.321 4.470 4.170 -0.036 0.000 0.290 67 I C -1.177 175.093 176.117 0.255 0.000 0.999 67 I CA -0.658 60.672 61.300 0.049 0.000 1.124 67 I CB 1.721 39.688 38.000 -0.055 0.000 1.289 67 I HN 0.720 nan 8.210 nan 0.000 0.441 68 Y N 7.965 128.397 120.300 0.220 0.000 2.342 68 Y HA 0.612 5.141 4.550 -0.036 0.000 0.338 68 Y C -1.417 174.496 175.900 0.022 0.000 0.965 68 Y CA -1.333 56.884 58.100 0.195 0.000 1.159 68 Y CB 0.778 39.397 38.460 0.265 0.000 1.157 68 Y HN 0.382 nan 8.280 nan 0.000 0.486 69 L N 6.250 127.396 121.223 -0.127 0.000 2.322 69 L HA 0.422 4.741 4.340 -0.036 0.000 0.279 69 L C 0.159 176.722 176.870 -0.511 0.000 1.036 69 L CA -0.734 53.868 54.840 -0.396 0.000 0.807 69 L CB 1.316 43.185 42.059 -0.316 0.000 1.226 69 L HN 0.686 nan 8.230 nan 0.000 0.433 70 N N 2.362 120.690 118.700 -0.619 0.000 2.317 70 N HA 0.177 4.895 4.740 -0.036 0.000 0.245 70 N C -2.501 172.641 175.510 -0.613 0.000 1.294 70 N CA -0.889 51.806 53.050 -0.592 0.000 0.924 70 N CB 0.142 38.228 38.487 -0.667 0.000 1.186 70 N HN 0.364 nan 8.380 nan 0.000 0.495 71 P HA -0.123 nan 4.420 nan 0.000 0.261 71 P C 0.189 177.064 177.300 -0.707 0.000 1.165 71 P CA 0.404 63.055 63.100 -0.749 0.000 0.759 71 P CB 0.358 31.557 31.700 -0.836 0.000 0.772 72 V N 0.287 119.685 119.914 -0.860 0.000 3.477 72 V HA 0.304 4.403 4.120 -0.036 0.000 0.297 72 V C 0.228 175.991 176.094 -0.551 0.000 1.433 72 V CA 0.122 62.006 62.300 -0.693 0.000 1.052 72 V CB -0.851 30.562 31.823 -0.683 0.000 0.895 72 V HN 0.064 nan 8.190 nan 0.000 0.438 73 F N 2.235 122.002 119.950 -0.305 0.000 2.380 73 F HA 0.772 5.278 4.527 -0.035 0.000 0.325 73 F C 1.295 177.008 175.800 -0.145 0.000 1.136 73 F CA -1.042 56.827 58.000 -0.218 0.000 1.171 73 F CB 0.334 39.212 39.000 -0.203 0.000 1.230 73 F HN 0.142 nan 8.300 nan 0.000 0.554 74 A N 1.717 124.633 122.820 0.160 0.000 2.580 74 A HA 0.357 4.656 4.320 -0.036 0.000 0.244 74 A C 0.395 178.023 177.584 0.073 0.000 1.045 74 A CA 0.790 52.888 52.037 0.102 0.000 0.761 74 A CB -0.536 18.541 19.000 0.129 0.000 0.962 74 A HN 0.757 nan 8.150 nan 0.000 0.512 75 S N 0.564 116.299 115.700 0.059 0.000 2.596 75 S HA 0.591 5.040 4.470 -0.036 0.000 0.270 75 S C 0.661 175.325 174.600 0.107 0.000 1.155 75 S CA 0.173 58.413 58.200 0.066 0.000 0.827 75 S CB 1.044 64.236 63.200 -0.014 0.000 1.130 75 S HN 1.353 nan 8.310 nan 0.000 0.467 76 T N 0.233 114.870 114.554 0.138 0.000 3.086 76 T HA 0.541 4.870 4.350 -0.036 0.000 0.250 76 T C 0.585 175.425 174.700 0.233 0.000 1.074 76 T CA 0.371 62.574 62.100 0.172 0.000 0.988 76 T CB 0.010 68.982 68.868 0.173 0.000 0.988 76 T HN 0.916 nan 8.240 nan 0.000 0.530 77 A N 2.584 125.436 122.820 0.053 0.000 2.312 77 A HA 0.573 4.872 4.320 -0.036 0.000 0.326 77 A C 1.191 178.538 177.584 -0.396 0.000 1.172 77 A CA -0.806 51.061 52.037 -0.283 0.000 0.821 77 A CB 0.716 19.098 19.000 -1.029 0.000 1.166 77 A HN 0.298 nan 8.150 nan 0.000 0.493 78 N N 1.641 119.929 118.700 -0.687 0.000 2.272 78 N HA -0.248 4.470 4.740 -0.036 0.000 0.185 78 N C 0.904 176.114 175.510 -0.500 0.000 1.014 78 N CA 2.426 54.830 53.050 -1.077 0.000 0.870 78 N CB -0.812 37.041 38.487 -1.057 0.000 0.975 78 N HN 0.919 nan 8.380 nan 0.000 0.433 79 H N -1.831 117.125 119.070 -0.190 0.000 2.544 79 H HA 0.402 4.936 4.556 -0.035 0.000 0.269 79 H C 0.239 175.331 175.328 -0.393 0.000 0.970 79 H CA -0.001 55.945 56.048 -0.171 0.000 1.219 79 H CB 0.040 29.995 29.762 0.321 0.000 1.421 79 H HN 0.019 nan 8.280 nan 0.000 0.555 80 R N -1.274 118.961 120.500 -0.442 0.000 3.878 80 R HA -0.239 4.080 4.340 -0.036 0.000 0.330 80 R C -0.487 175.636 176.300 -0.294 0.000 1.186 80 R CA 0.995 56.883 56.100 -0.353 0.000 0.885 80 R CB -2.695 27.367 30.300 -0.396 0.000 1.377 80 R HN 0.443 nan 8.270 nan 0.000 0.523 81 Y N -0.222 120.103 120.300 0.042 0.000 2.529 81 Y HA 0.073 4.601 4.550 -0.036 0.000 0.290 81 Y C 1.158 177.193 175.900 0.224 0.000 1.177 81 Y CA 0.725 58.882 58.100 0.094 0.000 1.305 81 Y CB 0.300 38.825 38.460 0.109 0.000 1.047 81 Y HN 0.258 nan 8.280 nan 0.000 0.522 82 H N -0.288 118.881 119.070 0.166 0.000 2.638 82 H HA 0.195 4.730 4.556 -0.035 0.000 0.242 82 H C 0.061 175.415 175.328 0.044 0.000 1.610 82 H CA -0.701 55.426 56.048 0.132 0.000 1.275 82 H CB 0.124 29.957 29.762 0.120 0.000 1.583 82 H HN -0.037 nan 8.280 nan 0.000 0.556 83 T N 1.400 116.006 114.554 0.087 0.000 2.902 83 T HA -0.025 4.304 4.350 -0.036 0.000 0.301 83 T C 1.410 176.155 174.700 0.075 0.000 1.012 83 T CA -0.074 61.979 62.100 -0.078 0.000 1.151 83 T CB 1.567 70.129 68.868 -0.508 0.000 0.946 83 T HN 0.309 nan 8.240 nan 0.000 0.542 84 V N 1.213 121.207 119.914 0.133 0.000 3.455 84 V HA 0.216 4.315 4.120 -0.036 0.000 0.250 84 V C 0.301 176.645 176.094 0.417 0.000 1.230 84 V CA 0.362 62.844 62.300 0.304 0.000 1.105 84 V CB 0.428 32.371 31.823 0.199 0.000 0.850 84 V HN 0.871 nan 8.190 nan 0.000 0.461 85 D N -1.836 118.727 120.400 0.272 0.000 2.452 85 D HA 0.207 4.826 4.640 -0.036 0.000 0.226 85 D C -0.146 176.287 176.300 0.223 0.000 1.366 85 D CA -0.443 53.784 54.000 0.378 0.000 0.986 85 D CB 0.856 41.830 40.800 0.288 0.000 1.420 85 D HN 0.106 nan 8.370 nan 0.000 0.583 86 Y N 1.700 122.215 120.300 0.358 0.000 2.574 86 Y HA 0.058 4.587 4.550 -0.036 0.000 0.294 86 Y C 1.482 177.083 175.900 -0.499 0.000 1.142 86 Y CA 0.652 58.641 58.100 -0.185 0.000 1.314 86 Y CB -0.014 38.393 38.460 -0.088 0.000 0.991 86 Y HN 0.363 nan 8.280 nan 0.000 0.555 87 F N -0.821 119.251 119.950 0.204 0.000 2.664 87 F HA 0.194 4.700 4.527 -0.035 0.000 0.303 87 F C 0.385 176.370 175.800 0.309 0.000 1.092 87 F CA 0.021 58.133 58.000 0.185 0.000 1.305 87 F CB 0.370 39.362 39.000 -0.012 0.000 1.054 87 F HN -0.149 nan 8.300 nan 0.000 0.565 88 Q N 0.764 120.803 119.800 0.399 0.000 2.304 88 Q HA 0.330 4.648 4.340 -0.036 0.000 0.270 88 Q C -0.584 175.609 176.000 0.322 0.000 1.035 88 Q CA -0.524 55.493 55.803 0.356 0.000 0.781 88 Q CB 3.024 31.911 28.738 0.248 0.000 1.261 88 Q HN -0.176 nan 8.270 nan 0.000 0.444 89 V N 2.313 122.388 119.914 0.269 0.000 2.655 89 V HA -0.062 4.036 4.120 -0.036 0.000 0.300 89 V C 0.499 176.638 176.094 0.075 0.000 1.044 89 V CA 0.035 62.398 62.300 0.105 0.000 1.095 89 V CB 0.721 32.524 31.823 -0.033 0.000 0.952 89 V HN 0.708 nan 8.190 nan 0.000 0.485 90 D N 6.126 126.541 120.400 0.025 0.000 2.583 90 D HA -0.014 4.605 4.640 -0.036 0.000 0.232 90 D C -1.500 174.824 176.300 0.040 0.000 1.128 90 D CA -0.487 53.533 54.000 0.032 0.000 0.859 90 D CB 1.097 41.896 40.800 -0.001 0.000 1.169 90 D HN 0.307 nan 8.370 nan 0.000 0.481 91 P HA -0.167 nan 4.420 nan 0.000 0.215 91 P C 1.414 178.770 177.300 0.093 0.000 1.157 91 P CA 1.120 64.267 63.100 0.078 0.000 0.874 91 P CB 0.083 31.824 31.700 0.068 0.000 0.790 92 I N -1.499 119.127 120.570 0.094 0.000 2.335 92 I HA -0.223 3.925 4.170 -0.036 0.000 0.251 92 I C 2.046 178.222 176.117 0.098 0.000 1.129 92 I CA 1.304 62.689 61.300 0.141 0.000 1.402 92 I CB -0.548 37.556 38.000 0.175 0.000 1.069 92 I HN -0.070 nan 8.210 nan 0.000 0.424 93 L N 0.094 121.339 121.223 0.037 0.000 2.478 93 L HA 0.046 4.364 4.340 -0.036 0.000 0.223 93 L C 1.574 178.399 176.870 -0.075 0.000 1.140 93 L CA 0.838 55.658 54.840 -0.033 0.000 0.842 93 L CB -0.275 41.718 42.059 -0.110 0.000 0.953 93 L HN 0.541 nan 8.230 nan 0.000 0.452 94 G N -1.050 107.760 108.800 0.016 0.000 2.192 94 G HA2 -0.033 3.906 3.960 -0.036 0.000 0.193 94 G HA3 -0.033 3.906 3.960 -0.036 0.000 0.193 94 G C 0.607 175.517 174.900 0.017 0.000 0.999 94 G CA -0.245 44.896 45.100 0.068 0.000 0.659 94 G HN 0.748 nan 8.290 nan 0.000 0.503 95 G N -0.164 108.637 108.800 0.003 0.000 2.855 95 G HA2 -0.076 3.863 3.960 -0.036 0.000 0.352 95 G HA3 -0.076 3.863 3.960 -0.036 0.000 0.352 95 G C 0.593 175.506 174.900 0.020 0.000 1.415 95 G CA 0.423 45.554 45.100 0.052 0.000 0.871 95 G HN 0.942 nan 8.290 nan 0.000 0.543 96 N N 0.491 119.273 118.700 0.136 0.000 2.137 96 N HA -0.094 4.625 4.740 -0.036 0.000 0.190 96 N C 2.034 177.688 175.510 0.240 0.000 1.017 96 N CA 1.770 54.958 53.050 0.231 0.000 0.859 96 N CB -0.183 38.524 38.487 0.367 0.000 1.002 96 N HN 0.620 nan 8.380 nan 0.000 0.428 97 E N 0.588 120.884 120.200 0.159 0.000 2.204 97 E HA -0.050 4.279 4.350 -0.036 0.000 0.195 97 E C 1.807 178.290 176.600 -0.196 0.000 0.990 97 E CA 0.685 57.164 56.400 0.131 0.000 0.821 97 E CB -0.250 29.605 29.700 0.258 0.000 0.750 97 E HN 0.390 nan 8.360 nan 0.000 0.477 98 A N 1.078 123.532 122.820 -0.610 0.000 1.872 98 A HA -0.117 4.181 4.320 -0.036 0.000 0.214 98 A C 2.217 179.494 177.584 -0.512 0.000 1.187 98 A CA 1.044 52.298 52.037 -1.306 0.000 0.614 98 A CB -0.525 17.632 19.000 -1.405 0.000 0.826 98 A HN 0.253 nan 8.150 nan 0.000 0.442 99 L N -0.031 121.055 121.223 -0.229 0.000 2.046 99 L HA -0.108 4.211 4.340 -0.036 0.000 0.208 99 L C 2.372 179.315 176.870 0.122 0.000 1.077 99 L CA 2.491 57.294 54.840 -0.061 0.000 0.747 99 L CB -0.711 41.324 42.059 -0.041 0.000 0.896 99 L HN 0.428 nan 8.230 nan 0.000 0.432 100 R N -1.087 119.570 120.500 0.263 0.000 2.080 100 R HA -0.260 4.059 4.340 -0.036 0.000 0.236 100 R C 2.454 178.792 176.300 0.064 0.000 1.137 100 R CA 2.166 58.366 56.100 0.166 0.000 0.943 100 R CB -1.002 29.371 30.300 0.121 0.000 0.846 100 R HN 0.625 nan 8.270 nan 0.000 0.431 101 H N -0.267 118.794 119.070 -0.015 0.000 2.353 101 H HA -0.097 4.438 4.556 -0.035 0.000 0.300 101 H C 1.675 177.000 175.328 -0.006 0.000 1.090 101 H CA 1.926 57.999 56.048 0.041 0.000 1.327 101 H CB -0.420 29.461 29.762 0.199 0.000 1.383 101 H HN 0.241 nan 8.280 nan 0.000 0.508 102 L N 0.243 121.388 121.223 -0.130 0.000 2.012 102 L HA -0.149 4.170 4.340 -0.036 0.000 0.210 102 L C 2.164 178.884 176.870 -0.250 0.000 1.073 102 L CA 1.653 56.376 54.840 -0.196 0.000 0.748 102 L CB -0.895 41.074 42.059 -0.150 0.000 0.891 102 L HN 0.413 nan 8.230 nan 0.000 0.431 103 L N -0.831 120.250 121.223 -0.236 0.000 2.083 103 L HA -0.216 4.102 4.340 -0.036 0.000 0.209 103 L C 2.515 179.099 176.870 -0.477 0.000 1.083 103 L CA 1.459 56.038 54.840 -0.436 0.000 0.752 103 L CB -0.587 41.286 42.059 -0.309 0.000 0.899 103 L HN 0.361 nan 8.230 nan 0.000 0.433 104 E N -0.323 119.728 120.200 -0.249 0.000 2.031 104 E HA -0.200 4.129 4.350 -0.036 0.000 0.193 104 E C 2.258 178.788 176.600 -0.117 0.000 0.994 104 E CA 1.542 57.859 56.400 -0.139 0.000 0.800 104 E CB -0.086 29.575 29.700 -0.065 0.000 0.752 104 E HN 0.222 nan 8.360 nan 0.000 0.447 105 V N 1.283 121.081 119.914 -0.193 0.000 2.343 105 V HA -0.286 3.812 4.120 -0.036 0.000 0.247 105 V C 2.269 178.380 176.094 0.029 0.000 1.051 105 V CA 1.801 64.057 62.300 -0.073 0.000 1.036 105 V CB -0.830 30.866 31.823 -0.212 0.000 0.654 105 V HN 0.339 nan 8.190 nan 0.000 0.451 106 A N -0.511 122.236 122.820 -0.121 0.000 1.851 106 A HA -0.288 4.011 4.320 -0.036 0.000 0.216 106 A C 2.042 179.644 177.584 0.030 0.000 1.195 106 A CA 2.287 54.266 52.037 -0.097 0.000 0.622 106 A CB -1.044 17.831 19.000 -0.208 0.000 0.831 106 A HN 0.718 nan 8.150 nan 0.000 0.444 107 H N -0.870 118.162 119.070 -0.065 0.000 2.387 107 H HA -0.013 4.522 4.556 -0.036 0.000 0.299 107 H C 2.411 177.699 175.328 -0.067 0.000 1.090 107 H CA 0.600 56.597 56.048 -0.086 0.000 1.332 107 H CB -0.019 29.687 29.762 -0.093 0.000 1.386 107 H HN 0.570 nan 8.280 nan 0.000 0.516 108 A N 0.632 123.498 122.820 0.078 0.000 2.070 108 A HA -0.177 4.122 4.320 -0.036 0.000 0.220 108 A C 1.022 178.493 177.584 -0.189 0.000 1.159 108 A CA 1.477 53.479 52.037 -0.058 0.000 0.656 108 A CB -0.356 18.593 19.000 -0.085 0.000 0.800 108 A HN 0.471 nan 8.150 nan 0.000 0.453 109 H N -1.742 117.307 119.070 -0.034 0.000 2.505 109 H HA 0.410 4.945 4.556 -0.036 0.000 0.286 109 H C 1.253 176.549 175.328 -0.053 0.000 1.072 109 H CA 0.152 56.173 56.048 -0.043 0.000 1.141 109 H CB 0.156 29.887 29.762 -0.051 0.000 1.550 109 H HN 0.505 nan 8.280 nan 0.000 0.547 110 G N 0.777 109.591 108.800 0.023 0.000 2.221 110 G HA2 -0.258 3.681 3.960 -0.036 0.000 0.265 110 G HA3 -0.258 3.681 3.960 -0.036 0.000 0.265 110 G C -0.309 174.552 174.900 -0.066 0.000 1.041 110 G CA 0.423 45.501 45.100 -0.036 0.000 0.807 110 G HN 0.270 nan 8.290 nan 0.000 0.502 111 V N 1.334 121.223 119.914 -0.043 0.000 2.417 111 V HA 0.595 4.694 4.120 -0.036 0.000 0.291 111 V C 0.663 176.690 176.094 -0.111 0.000 1.024 111 V CA -1.256 60.979 62.300 -0.108 0.000 0.861 111 V CB 1.623 33.383 31.823 -0.105 0.000 0.985 111 V HN 0.356 nan 8.190 nan 0.000 0.436 112 R N 2.646 122.972 120.500 -0.289 0.000 2.543 112 R HA 0.725 5.044 4.340 -0.036 0.000 0.268 112 R C -0.996 175.207 176.300 -0.161 0.000 1.067 112 R CA -0.478 55.402 56.100 -0.368 0.000 1.142 112 R CB 1.740 31.406 30.300 -1.057 0.000 1.110 112 R HN 0.465 nan 8.270 nan 0.000 0.549 113 V N 3.518 123.411 119.914 -0.036 0.000 2.612 113 V HA 0.400 4.499 4.120 -0.036 0.000 0.301 113 V C -0.071 176.077 176.094 0.090 0.000 1.059 113 V CA -0.837 61.470 62.300 0.012 0.000 0.886 113 V CB 1.796 33.575 31.823 -0.073 0.000 1.007 113 V HN 0.690 nan 8.190 nan 0.000 0.426 114 I N 2.941 123.623 120.570 0.187 0.000 2.603 114 I HA 0.769 4.918 4.170 -0.036 0.000 0.300 114 I C -0.893 175.250 176.117 0.044 0.000 1.017 114 I CA -0.759 60.635 61.300 0.157 0.000 1.098 114 I CB 1.934 40.147 38.000 0.354 0.000 1.279 114 I HN 0.388 nan 8.210 nan 0.000 0.437 115 L N 2.685 123.810 121.223 -0.163 0.000 2.331 115 L HA 0.517 4.835 4.340 -0.036 0.000 0.268 115 L C -0.459 176.438 176.870 0.044 0.000 1.015 115 L CA -0.753 53.950 54.840 -0.228 0.000 0.807 115 L CB 1.372 43.068 42.059 -0.605 0.000 1.293 115 L HN 0.632 nan 8.230 nan 0.000 0.451 116 D N 0.530 120.939 120.400 0.016 0.000 2.280 116 D HA 0.367 4.985 4.640 -0.036 0.000 0.236 116 D C -0.387 175.987 176.300 0.122 0.000 1.082 116 D CA -0.130 53.931 54.000 0.102 0.000 0.834 116 D CB 1.933 42.722 40.800 -0.019 0.000 1.100 116 D HN 0.606 nan 8.370 nan 0.000 0.486 117 G N 2.328 111.191 108.800 0.105 0.000 2.384 117 G HA2 0.450 4.389 3.960 -0.036 0.000 0.316 117 G HA3 0.450 4.389 3.960 -0.036 0.000 0.316 117 G C -0.463 173.881 174.900 -0.927 0.000 1.160 117 G CA -0.489 44.300 45.100 -0.520 0.000 0.936 117 G HN 0.345 nan 8.290 nan 0.000 0.455 118 V N 3.642 123.091 119.914 -0.776 0.000 2.259 118 V HA 0.263 4.361 4.120 -0.036 0.000 0.267 118 V C -0.188 175.684 176.094 -0.369 0.000 1.051 118 V CA -0.495 61.543 62.300 -0.437 0.000 0.830 118 V CB -0.002 31.703 31.823 -0.197 0.000 1.080 118 V HN 0.690 nan 8.190 nan 0.000 0.467 119 F N 1.598 121.589 119.950 0.068 0.000 2.678 119 F HA 0.216 4.722 4.527 -0.036 0.000 0.305 119 F C 1.876 177.653 175.800 -0.037 0.000 1.090 119 F CA -0.444 57.556 58.000 -0.000 0.000 1.272 119 F CB -0.470 38.561 39.000 0.051 0.000 1.060 119 F HN 0.470 nan 8.300 nan 0.000 0.576 120 N N 0.000 118.780 118.700 0.132 0.000 2.300 120 N HA -0.110 4.609 4.740 -0.036 0.000 0.179 120 N C 0.368 176.041 175.510 0.273 0.000 1.016 120 N CA 0.983 54.168 53.050 0.225 0.000 0.876 120 N CB 0.099 38.819 38.487 0.389 0.000 0.979 120 N HN 0.363 nan 8.380 nan 0.000 0.432 121 H N -3.836 115.341 119.070 0.177 0.000 2.960 121 H HA 0.452 4.987 4.556 -0.036 0.000 0.323 121 H C -0.968 174.487 175.328 0.211 0.000 1.326 121 H CA -0.531 55.639 56.048 0.204 0.000 1.124 121 H CB 0.697 30.574 29.762 0.192 0.000 1.853 121 H HN 0.052 nan 8.280 nan 0.000 0.536 122 T N -2.025 112.699 114.554 0.283 0.000 2.831 122 T HA 0.626 4.955 4.350 -0.036 0.000 0.287 122 T C 0.468 175.270 174.700 0.169 0.000 1.070 122 T CA -0.361 61.848 62.100 0.182 0.000 1.010 122 T CB 1.792 70.708 68.868 0.080 0.000 1.264 122 T HN 0.888 nan 8.240 nan 0.000 0.532 123 G N -0.465 108.420 108.800 0.141 0.000 2.580 123 G HA2 0.411 4.350 3.960 -0.036 0.000 0.278 123 G HA3 0.411 4.350 3.960 -0.036 0.000 0.278 123 G C 0.516 175.359 174.900 -0.096 0.000 1.212 123 G CA -0.913 44.215 45.100 0.046 0.000 0.939 123 G HN 0.813 nan 8.290 nan 0.000 0.513 124 R N -0.397 119.966 120.500 -0.228 0.000 2.235 124 R HA -0.017 4.301 4.340 -0.036 0.000 0.213 124 R C 2.403 178.757 176.300 0.089 0.000 1.059 124 R CA 0.793 56.665 56.100 -0.379 0.000 0.997 124 R CB 0.037 30.169 30.300 -0.280 0.000 0.884 124 R HN 0.537 nan 8.270 nan 0.000 0.462 125 G N 0.323 109.210 108.800 0.145 0.000 2.744 125 G HA2 -0.151 3.787 3.960 -0.036 0.000 0.211 125 G HA3 -0.151 3.787 3.960 -0.036 0.000 0.211 125 G C 0.219 175.268 174.900 0.249 0.000 1.143 125 G CA -0.435 44.783 45.100 0.196 0.000 0.788 125 G HN 0.118 nan 8.290 nan 0.000 0.534 126 F N 0.808 120.849 119.950 0.151 0.000 2.563 126 F HA 0.300 4.806 4.527 -0.035 0.000 0.363 126 F C 1.422 177.322 175.800 0.165 0.000 1.123 126 F CA -1.404 56.712 58.000 0.193 0.000 1.307 126 F CB 0.507 39.668 39.000 0.268 0.000 1.115 126 F HN 0.059 nan 8.300 nan 0.000 0.592 127 F N 4.602 124.059 119.950 -0.821 0.000 2.043 127 F HA -0.275 4.231 4.527 -0.036 0.000 0.297 127 F C 2.132 177.576 175.800 -0.593 0.000 1.118 127 F CA 2.510 60.096 58.000 -0.690 0.000 1.202 127 F CB -0.875 37.613 39.000 -0.854 0.000 0.965 127 F HN 0.535 nan 8.300 nan 0.000 0.482 128 A N -0.653 121.690 122.820 -0.795 0.000 1.940 128 A HA -0.237 4.062 4.320 -0.036 0.000 0.219 128 A C 2.183 179.771 177.584 0.006 0.000 1.176 128 A CA 1.703 53.380 52.037 -0.601 0.000 0.631 128 A CB -1.560 17.167 19.000 -0.455 0.000 0.814 128 A HN 0.535 nan 8.150 nan 0.000 0.446 129 F N 0.132 120.157 119.950 0.124 0.000 2.163 129 F HA -0.117 4.389 4.527 -0.035 0.000 0.297 129 F C 2.520 178.222 175.800 -0.162 0.000 1.094 129 F CA 1.767 59.690 58.000 -0.128 0.000 1.290 129 F CB -0.069 38.774 39.000 -0.261 0.000 1.017 129 F HN 0.164 nan 8.300 nan 0.000 0.483 130 Q N -0.454 119.318 119.800 -0.047 0.000 2.124 130 Q HA -0.238 4.081 4.340 -0.036 0.000 0.202 130 Q C 2.285 178.107 176.000 -0.296 0.000 0.977 130 Q CA 1.450 57.167 55.803 -0.143 0.000 0.850 130 Q CB -0.896 27.768 28.738 -0.122 0.000 0.901 130 Q HN 0.554 nan 8.270 nan 0.000 0.429 131 H N 0.202 118.968 119.070 -0.507 0.000 2.353 131 H HA 0.014 4.549 4.556 -0.036 0.000 0.300 131 H C 1.012 176.177 175.328 -0.273 0.000 1.090 131 H CA 0.569 56.333 56.048 -0.473 0.000 1.327 131 H CB -0.065 29.294 29.762 -0.672 0.000 1.383 131 H HN 0.123 nan 8.280 nan 0.000 0.508 135 N N 1.047 119.641 118.700 -0.176 0.000 2.197 135 N HA 0.154 4.873 4.740 -0.036 0.000 0.201 135 N C 1.215 176.590 175.510 -0.224 0.000 1.148 135 N CA 0.966 53.922 53.050 -0.157 0.000 0.883 135 N CB 2.186 40.612 38.487 -0.103 0.000 1.012 135 N HN 0.224 nan 8.380 nan 0.000 0.507 136 G N 2.642 111.262 108.800 -0.301 0.000 2.611 136 G HA2 -0.375 3.564 3.960 -0.036 0.000 0.301 136 G HA3 -0.375 3.564 3.960 -0.036 0.000 0.301 136 G C 0.705 175.086 174.900 -0.864 0.000 1.233 136 G CA 0.537 45.167 45.100 -0.784 0.000 0.993 136 G HN 0.266 nan 8.290 nan 0.000 0.553 137 E N 0.667 120.253 120.200 -1.024 0.000 2.265 137 E HA -0.115 4.213 4.350 -0.036 0.000 0.196 137 E C 2.569 179.077 176.600 -0.152 0.000 0.996 137 E CA 1.348 57.497 56.400 -0.418 0.000 0.832 137 E CB -0.082 29.469 29.700 -0.248 0.000 0.756 137 E HN 0.667 nan 8.360 nan 0.000 0.491 138 Q N 0.390 120.094 119.800 -0.161 0.000 2.444 138 Q HA 0.026 4.345 4.340 -0.036 0.000 0.206 138 Q C 0.691 176.694 176.000 0.004 0.000 0.948 138 Q CA -0.112 55.654 55.803 -0.062 0.000 0.946 138 Q CB 0.393 29.093 28.738 -0.064 0.000 1.027 138 Q HN -0.087 nan 8.270 nan 0.000 0.513 139 S N 2.035 117.750 115.700 0.026 0.000 2.505 139 S HA 0.116 4.564 4.470 -0.036 0.000 0.276 139 S C -1.724 172.933 174.600 0.095 0.000 1.274 139 S CA -1.491 56.803 58.200 0.157 0.000 1.053 139 S CB 0.738 64.071 63.200 0.222 0.000 0.919 139 S HN 0.079 nan 8.310 nan 0.000 0.490 140 P HA 0.069 nan 4.420 nan 0.000 0.253 140 P C -0.322 176.811 177.300 -0.277 0.000 1.281 140 P CA 0.424 63.445 63.100 -0.131 0.000 0.792 140 P CB -0.232 31.353 31.700 -0.191 0.000 1.193 141 Y N -1.045 119.210 120.300 -0.075 0.000 2.500 141 Y HA 0.300 4.829 4.550 -0.036 0.000 0.246 141 Y C 2.474 178.501 175.900 0.212 0.000 1.146 141 Y CA -0.425 57.672 58.100 -0.004 0.000 1.230 141 Y CB -0.031 38.234 38.460 -0.325 0.000 1.214 141 Y HN -0.200 nan 8.280 nan 0.000 0.526 142 R N 0.860 121.529 120.500 0.281 0.000 2.113 142 R HA -0.203 4.116 4.340 -0.036 0.000 0.244 142 R C 0.636 177.110 176.300 0.290 0.000 1.142 142 R CA 2.237 58.515 56.100 0.297 0.000 0.953 142 R CB -0.167 30.279 30.300 0.244 0.000 0.860 142 R HN 0.240 nan 8.270 nan 0.000 0.438 143 D N -1.066 119.468 120.400 0.223 0.000 2.348 143 D HA -0.115 4.504 4.640 -0.036 0.000 0.248 143 D C 0.601 176.929 176.300 0.047 0.000 1.142 143 D CA 0.458 54.523 54.000 0.107 0.000 0.904 143 D CB -0.119 40.698 40.800 0.028 0.000 0.901 143 D HN 0.396 nan 8.370 nan 0.000 0.523 144 W N -0.327 120.949 121.300 -0.040 0.000 2.737 144 W HA 0.057 4.695 4.660 -0.036 0.000 0.262 144 W C 0.442 176.616 176.519 -0.576 0.000 1.282 144 W CA 0.145 57.340 57.345 -0.250 0.000 1.386 144 W CB 0.217 29.575 29.460 -0.169 0.000 1.099 144 W HN -0.102 nan 8.180 nan 0.000 0.621 145 Y N -1.866 118.546 120.300 0.187 0.000 2.686 145 Y HA 0.340 4.869 4.550 -0.036 0.000 0.330 145 Y C 0.385 176.236 175.900 -0.082 0.000 1.082 145 Y CA -1.328 56.832 58.100 0.100 0.000 1.158 145 Y CB 0.523 39.125 38.460 0.235 0.000 1.333 145 Y HN -0.294 nan 8.280 nan 0.000 0.519 146 H N 0.870 120.156 119.070 0.359 0.000 2.556 146 H HA 0.309 4.844 4.556 -0.036 0.000 0.240 146 H C -0.942 174.521 175.328 0.224 0.000 1.543 146 H CA -0.246 55.939 56.048 0.228 0.000 1.287 146 H CB -0.027 29.851 29.762 0.194 0.000 1.529 146 H HN 0.196 nan 8.280 nan 0.000 0.553 147 V N 3.080 123.127 119.914 0.222 0.000 2.521 147 V HA -0.039 4.059 4.120 -0.036 0.000 0.286 147 V C 1.339 177.447 176.094 0.022 0.000 1.034 147 V CA 0.195 62.543 62.300 0.080 0.000 1.045 147 V CB 1.287 33.052 31.823 -0.097 0.000 0.974 147 V HN 0.618 nan 8.190 nan 0.000 0.480 148 K N 3.062 123.462 120.400 -0.001 0.000 2.128 148 K HA 0.370 4.669 4.320 -0.036 0.000 0.202 148 K C 0.854 177.404 176.600 -0.084 0.000 1.050 148 K CA 0.873 57.151 56.287 -0.015 0.000 0.966 148 K CB 0.377 32.877 32.500 0.000 0.000 0.759 148 K HN 0.889 nan 8.250 nan 0.000 0.454 149 G N -0.251 108.427 108.800 -0.205 0.000 2.441 149 G HA2 0.452 4.390 3.960 -0.036 0.000 0.294 149 G HA3 0.452 4.390 3.960 -0.036 0.000 0.294 149 G C -1.921 172.731 174.900 -0.414 0.000 1.393 149 G CA -0.881 44.082 45.100 -0.227 0.000 0.796 149 G HN -0.036 nan 8.290 nan 0.000 0.494 150 F N 1.427 121.415 119.950 0.063 0.000 2.532 150 F HA 0.653 5.158 4.527 -0.035 0.000 0.321 150 F C -1.235 174.594 175.800 0.048 0.000 1.089 150 F CA -1.342 56.690 58.000 0.054 0.000 0.926 150 F CB 1.788 40.810 39.000 0.035 0.000 1.168 150 F HN 0.384 nan 8.300 nan 0.000 0.459 151 P HA 0.229 nan 4.420 nan 0.000 0.274 151 P C 0.513 177.939 177.300 0.211 0.000 1.260 151 P CA -0.346 62.926 63.100 0.287 0.000 0.793 151 P CB 1.102 32.913 31.700 0.185 0.000 1.048 152 L N -0.960 120.400 121.223 0.228 0.000 2.313 152 L HA -0.036 4.283 4.340 -0.036 0.000 0.214 152 L C 0.845 177.877 176.870 0.270 0.000 1.119 152 L CA 0.456 55.432 54.840 0.227 0.000 0.809 152 L CB -0.700 41.472 42.059 0.188 0.000 0.933 152 L HN 0.525 nan 8.230 nan 0.000 0.449 153 K N -0.208 120.323 120.400 0.219 0.000 3.257 153 K HA -0.249 4.050 4.320 -0.036 0.000 0.270 153 K C 1.014 177.734 176.600 0.200 0.000 0.984 153 K CA 0.267 56.667 56.287 0.188 0.000 0.739 153 K CB -1.537 31.039 32.500 0.126 0.000 1.351 153 K HN 0.404 nan 8.250 nan 0.000 0.463 154 A N -0.274 122.704 122.820 0.263 0.000 2.168 154 A HA -0.067 4.232 4.320 -0.036 0.000 0.215 154 A C 0.891 178.307 177.584 -0.282 0.000 1.152 154 A CA 0.954 53.079 52.037 0.148 0.000 0.716 154 A CB -0.198 18.889 19.000 0.144 0.000 0.794 154 A HN 0.509 nan 8.150 nan 0.000 0.465 155 Y N 0.306 120.699 120.300 0.155 0.000 2.720 155 Y HA 0.240 4.768 4.550 -0.035 0.000 0.268 155 Y C 0.992 176.931 175.900 0.066 0.000 1.142 155 Y CA 0.039 58.201 58.100 0.102 0.000 1.193 155 Y CB 0.196 38.712 38.460 0.094 0.000 1.176 155 Y HN 0.274 nan 8.280 nan 0.000 0.542 156 T N -4.007 110.612 114.554 0.109 0.000 2.926 156 T HA 0.673 5.002 4.350 -0.036 0.000 0.289 156 T C 1.043 175.707 174.700 -0.061 0.000 1.054 156 T CA -0.469 61.667 62.100 0.060 0.000 1.015 156 T CB 1.852 70.781 68.868 0.101 0.000 1.167 156 T HN 0.032 nan 8.240 nan 0.000 0.526 157 A N 0.008 122.720 122.820 -0.181 0.000 2.235 157 A HA 0.132 4.431 4.320 -0.036 0.000 0.208 157 A C 0.701 177.897 177.584 -0.648 0.000 1.172 157 A CA 0.277 52.075 52.037 -0.399 0.000 0.786 157 A CB -0.709 18.007 19.000 -0.474 0.000 0.804 157 A HN 0.845 nan 8.150 nan 0.000 0.479 158 H N 0.363 119.401 119.070 -0.054 0.000 2.336 158 H HA 0.221 4.755 4.556 -0.035 0.000 0.230 158 H C -2.808 172.441 175.328 -0.132 0.000 1.426 158 H CA -1.996 54.001 56.048 -0.084 0.000 1.359 158 H CB -0.124 29.607 29.762 -0.051 0.000 1.555 158 H HN 0.342 nan 8.280 nan 0.000 0.512 159 P HA -0.065 nan 4.420 nan 0.000 0.267 159 P C 0.680 177.754 177.300 -0.377 0.000 1.200 159 P CA -0.125 62.718 63.100 -0.427 0.000 0.772 159 P CB 1.437 32.554 31.700 -0.971 0.000 0.855 160 N N 1.547 120.123 118.700 -0.205 0.000 2.466 160 N HA 0.061 4.780 4.740 -0.036 0.000 0.251 160 N C -0.805 174.744 175.510 0.066 0.000 1.164 160 N CA -0.105 52.920 53.050 -0.041 0.000 0.888 160 N CB -0.699 37.802 38.487 0.024 0.000 1.177 160 N HN 0.420 nan 8.380 nan 0.000 0.498 161 Y N -2.663 117.661 120.300 0.040 0.000 2.624 161 Y HA 0.419 4.947 4.550 -0.036 0.000 0.334 161 Y C -0.477 175.494 175.900 0.119 0.000 1.155 161 Y CA -1.357 56.799 58.100 0.093 0.000 1.046 161 Y CB 0.341 38.890 38.460 0.147 0.000 1.316 161 Y HN -0.202 nan 8.280 nan 0.000 0.457 162 E N 1.412 121.801 120.200 0.314 0.000 2.415 162 E HA 0.490 4.818 4.350 -0.036 0.000 0.263 162 E C -0.703 176.077 176.600 0.301 0.000 0.995 162 E CA 0.312 56.833 56.400 0.202 0.000 0.915 162 E CB 0.777 30.553 29.700 0.127 0.000 0.951 162 E HN 0.750 nan 8.360 nan 0.000 0.449 163 A N 3.357 126.273 122.820 0.161 0.000 2.515 163 A HA 0.239 4.538 4.320 -0.036 0.000 0.298 163 A C -1.628 176.060 177.584 0.174 0.000 1.059 163 A CA -0.781 51.375 52.037 0.199 0.000 0.698 163 A CB 0.608 19.668 19.000 0.101 0.000 1.289 163 A HN 0.732 nan 8.150 nan 0.000 0.404 164 W N 2.963 124.260 121.300 -0.005 0.000 2.520 164 W HA 0.251 4.890 4.660 -0.036 0.000 0.337 164 W C -0.261 176.339 176.519 0.134 0.000 1.406 164 W CA 1.266 58.597 57.345 -0.024 0.000 1.318 164 W CB -0.161 29.070 29.460 -0.381 0.000 1.338 164 W HN 0.685 nan 8.180 nan 0.000 0.570 165 W N 4.239 125.156 121.300 -0.639 0.000 4.233 165 W HA -0.249 4.390 4.660 -0.036 0.000 0.328 165 W C 1.752 178.082 176.519 -0.316 0.000 1.212 165 W CA 1.703 58.676 57.345 -0.619 0.000 0.752 165 W CB -1.717 27.155 29.460 -0.981 0.000 2.277 165 W HN 1.204 nan 8.180 nan 0.000 1.465 166 G N -0.681 108.103 108.800 -0.026 0.000 2.168 166 G HA2 -0.403 3.536 3.960 -0.036 0.000 0.263 166 G HA3 -0.403 3.536 3.960 -0.036 0.000 0.263 166 G C 0.404 175.275 174.900 -0.048 0.000 0.977 166 G CA 0.149 45.215 45.100 -0.058 0.000 0.659 166 G HN 0.548 nan 8.290 nan 0.000 0.533 167 N N 1.205 119.918 118.700 0.022 0.000 2.442 167 N HA 0.258 4.977 4.740 -0.036 0.000 0.265 167 N C -0.301 175.204 175.510 -0.009 0.000 1.138 167 N CA -1.490 51.575 53.050 0.025 0.000 0.956 167 N CB 1.490 40.044 38.487 0.112 0.000 1.067 167 N HN 0.151 nan 8.380 nan 0.000 0.474 168 P HA -0.098 nan 4.420 nan 0.000 0.225 168 P C 0.143 177.411 177.300 -0.054 0.000 1.148 168 P CA 1.143 64.210 63.100 -0.055 0.000 0.779 168 P CB 0.392 32.034 31.700 -0.097 0.000 0.780 169 E N -0.512 119.620 120.200 -0.112 0.000 2.427 169 E HA 0.005 4.334 4.350 -0.036 0.000 0.196 169 E C 0.088 176.482 176.600 -0.344 0.000 1.028 169 E CA 0.385 56.635 56.400 -0.251 0.000 0.864 169 E CB -0.178 29.365 29.700 -0.263 0.000 0.813 169 E HN 0.292 nan 8.360 nan 0.000 0.514 170 L N 1.160 122.290 121.223 -0.155 0.000 2.495 170 L HA 0.307 4.626 4.340 -0.036 0.000 0.248 170 L C -2.600 174.334 176.870 0.107 0.000 1.229 170 L CA -1.866 52.937 54.840 -0.061 0.000 0.942 170 L CB 0.990 42.952 42.059 -0.162 0.000 1.242 170 L HN -0.275 nan 8.230 nan 0.000 0.484 171 P HA -0.020 nan 4.420 nan 0.000 0.263 171 P C -0.308 177.280 177.300 0.479 0.000 1.195 171 P CA -0.036 63.180 63.100 0.192 0.000 0.762 171 P CB 0.482 31.914 31.700 -0.446 0.000 0.799 172 K N 4.142 124.871 120.400 0.548 0.000 2.297 172 K HA 0.171 4.470 4.320 -0.036 0.000 0.286 172 K C -0.350 176.579 176.600 0.548 0.000 1.053 172 K CA -0.620 55.983 56.287 0.527 0.000 0.940 172 K CB 0.213 32.970 32.500 0.429 0.000 1.019 172 K HN 0.243 nan 8.250 nan 0.000 0.475 173 L N 4.028 125.444 121.223 0.322 0.000 2.439 173 L HA 0.116 4.435 4.340 -0.036 0.000 0.269 173 L C 0.343 177.215 176.870 0.004 0.000 1.179 173 L CA 0.660 55.516 54.840 0.027 0.000 0.828 173 L CB 0.694 42.720 42.059 -0.054 0.000 1.106 173 L HN 0.581 nan 8.230 nan 0.000 0.467 174 K N 2.733 122.966 120.400 -0.278 0.000 2.231 174 K HA 0.220 4.519 4.320 -0.036 0.000 0.255 174 K C 0.641 177.044 176.600 -0.328 0.000 1.108 174 K CA -0.269 55.798 56.287 -0.368 0.000 0.997 174 K CB 0.429 32.572 32.500 -0.595 0.000 1.549 174 K HN 0.516 nan 8.250 nan 0.000 0.419 175 V N 2.989 122.739 119.914 -0.273 0.000 2.720 175 V HA -0.233 3.866 4.120 -0.036 0.000 0.256 175 V C 2.221 178.129 176.094 -0.311 0.000 1.082 175 V CA 1.798 63.855 62.300 -0.406 0.000 1.101 175 V CB -0.562 30.889 31.823 -0.621 0.000 0.693 175 V HN 0.771 nan 8.190 nan 0.000 0.479 176 E N 0.203 120.281 120.200 -0.204 0.000 2.274 176 E HA -0.113 4.216 4.350 -0.036 0.000 0.194 176 E C 0.789 177.295 176.600 -0.157 0.000 0.996 176 E CA 0.604 56.921 56.400 -0.138 0.000 0.840 176 E CB -0.670 28.986 29.700 -0.072 0.000 0.772 176 E HN 0.509 nan 8.360 nan 0.000 0.491 177 T N 4.166 118.583 114.554 -0.229 0.000 2.817 177 T HA 0.086 4.415 4.350 -0.036 0.000 0.295 177 T C -1.837 172.709 174.700 -0.256 0.000 0.958 177 T CA -1.043 60.909 62.100 -0.248 0.000 1.157 177 T CB 1.303 69.958 68.868 -0.355 0.000 0.898 177 T HN -0.025 nan 8.240 nan 0.000 0.536 178 P HA -0.217 nan 4.420 nan 0.000 0.216 178 P C 1.542 178.755 177.300 -0.145 0.000 1.157 178 P CA 1.272 64.299 63.100 -0.122 0.000 0.880 178 P CB 0.058 31.716 31.700 -0.071 0.000 0.791 179 A N -0.959 121.756 122.820 -0.175 0.000 1.940 179 A HA -0.192 4.107 4.320 -0.036 0.000 0.219 179 A C 2.325 179.694 177.584 -0.358 0.000 1.176 179 A CA 2.055 54.018 52.037 -0.123 0.000 0.631 179 A CB -1.711 17.299 19.000 0.016 0.000 0.814 179 A HN 0.060 nan 8.150 nan 0.000 0.446 180 V N -0.165 119.273 119.914 -0.794 0.000 2.270 180 V HA -0.222 3.876 4.120 -0.036 0.000 0.245 180 V C 2.622 178.498 176.094 -0.364 0.000 1.043 180 V CA 2.164 63.883 62.300 -0.968 0.000 1.014 180 V CB -0.797 30.446 31.823 -0.966 0.000 0.645 180 V HN 0.687 nan 8.190 nan 0.000 0.447 181 R N -0.077 120.267 120.500 -0.260 0.000 2.127 181 R HA -0.207 4.112 4.340 -0.036 0.000 0.238 181 R C 2.372 178.679 176.300 0.013 0.000 1.134 181 R CA 1.671 57.728 56.100 -0.072 0.000 0.975 181 R CB -0.224 30.055 30.300 -0.034 0.000 0.865 181 R HN 0.498 nan 8.270 nan 0.000 0.447 182 E N -0.178 120.021 120.200 -0.000 0.000 2.072 182 E HA -0.209 4.120 4.350 -0.036 0.000 0.190 182 E C 1.581 178.249 176.600 0.112 0.000 0.982 182 E CA 1.131 57.560 56.400 0.049 0.000 0.803 182 E CB -0.326 29.409 29.700 0.059 0.000 0.755 182 E HN 0.434 nan 8.360 nan 0.000 0.453 183 Y N 1.185 121.520 120.300 0.058 0.000 2.114 183 Y HA -0.173 4.355 4.550 -0.035 0.000 0.284 183 Y C 2.340 178.285 175.900 0.074 0.000 1.143 183 Y CA 1.782 60.000 58.100 0.196 0.000 1.135 183 Y CB -0.387 38.312 38.460 0.399 0.000 0.980 183 Y HN -0.035 nan 8.280 nan 0.000 0.499 184 L N -0.427 120.834 121.223 0.064 0.000 2.046 184 L HA -0.256 4.063 4.340 -0.036 0.000 0.208 184 L C 2.410 179.118 176.870 -0.270 0.000 1.077 184 L CA 1.255 55.977 54.840 -0.197 0.000 0.747 184 L CB -0.642 41.344 42.059 -0.122 0.000 0.896 184 L HN 0.320 nan 8.230 nan 0.000 0.432 185 L N -0.574 120.575 121.223 -0.123 0.000 2.141 185 L HA -0.133 4.186 4.340 -0.036 0.000 0.209 185 L C 2.825 179.600 176.870 -0.158 0.000 1.094 185 L CA 0.901 55.631 54.840 -0.183 0.000 0.763 185 L CB -0.649 41.340 42.059 -0.117 0.000 0.908 185 L HN 0.228 nan 8.230 nan 0.000 0.437 186 A N -0.391 122.381 122.820 -0.081 0.000 1.969 186 A HA -0.101 4.197 4.320 -0.036 0.000 0.218 186 A C 2.332 179.913 177.584 -0.004 0.000 1.169 186 A CA 1.261 53.301 52.037 0.004 0.000 0.635 186 A CB -0.578 18.471 19.000 0.082 0.000 0.810 186 A HN 0.172 nan 8.150 nan 0.000 0.445 187 V N -0.079 119.715 119.914 -0.199 0.000 2.261 187 V HA -0.255 3.844 4.120 -0.036 0.000 0.246 187 V C 3.092 179.224 176.094 0.063 0.000 1.047 187 V CA 1.978 64.090 62.300 -0.314 0.000 1.015 187 V CB -1.260 30.292 31.823 -0.453 0.000 0.642 187 V HN 0.602 nan 8.190 nan 0.000 0.446 188 A N -0.706 122.007 122.820 -0.179 0.000 1.917 188 A HA -0.317 3.982 4.320 -0.036 0.000 0.219 188 A C 2.290 179.992 177.584 0.196 0.000 1.182 188 A CA 2.334 54.249 52.037 -0.203 0.000 0.633 188 A CB -0.533 17.922 19.000 -0.909 0.000 0.819 188 A HN 0.655 nan 8.150 nan 0.000 0.448 189 E N -1.400 118.821 120.200 0.036 0.000 2.028 189 E HA -0.247 4.082 4.350 -0.036 0.000 0.190 189 E C 1.942 178.642 176.600 0.167 0.000 0.984 189 E CA 1.173 57.624 56.400 0.086 0.000 0.800 189 E CB -0.299 29.412 29.700 0.019 0.000 0.758 189 E HN 0.778 nan 8.360 nan 0.000 0.448 190 H N -0.431 118.658 119.070 0.031 0.000 2.265 190 H HA -0.207 4.328 4.556 -0.035 0.000 0.293 190 H C 1.638 176.913 175.328 -0.089 0.000 1.089 190 H CA 2.707 58.704 56.048 -0.086 0.000 1.244 190 H CB -0.629 28.993 29.762 -0.233 0.000 1.355 190 H HN 0.270 nan 8.280 nan 0.000 0.485 191 W N -0.067 121.314 121.300 0.136 0.000 2.392 191 W HA -0.093 4.546 4.660 -0.036 0.000 0.279 191 W C 2.265 178.822 176.519 0.064 0.000 1.225 191 W CA 0.205 57.575 57.345 0.041 0.000 1.233 191 W CB 0.017 29.563 29.460 0.144 0.000 1.122 191 W HN 0.250 nan 8.180 nan 0.000 0.561 192 I N 0.369 121.125 120.570 0.309 0.000 2.315 192 I HA -0.193 3.956 4.170 -0.036 0.000 0.248 192 I C 2.129 178.339 176.117 0.154 0.000 1.117 192 I CA 1.523 62.950 61.300 0.213 0.000 1.404 192 I CB -1.145 36.995 38.000 0.233 0.000 1.071 192 I HN 0.107 nan 8.210 nan 0.000 0.419 193 R N -0.462 120.099 120.500 0.102 0.000 2.153 193 R HA -0.109 4.209 4.340 -0.036 0.000 0.218 193 R C 2.205 178.532 176.300 0.045 0.000 1.072 193 R CA 0.745 56.876 56.100 0.052 0.000 0.990 193 R CB -0.345 29.968 30.300 0.021 0.000 0.889 193 R HN 0.203 nan 8.270 nan 0.000 0.452 194 F N 0.302 120.165 119.950 -0.146 0.000 2.365 194 F HA -0.070 4.435 4.527 -0.036 0.000 0.300 194 F C 1.387 177.204 175.800 0.029 0.000 1.090 194 F CA 1.722 59.652 58.000 -0.117 0.000 1.408 194 F CB 0.353 39.262 39.000 -0.151 0.000 1.060 194 F HN 0.181 nan 8.300 nan 0.000 0.534 195 G N -0.628 108.322 108.800 0.250 0.000 2.485 195 G HA2 -0.150 3.789 3.960 -0.036 0.000 0.181 195 G HA3 -0.150 3.789 3.960 -0.036 0.000 0.181 195 G C -0.128 174.937 174.900 0.276 0.000 0.999 195 G CA -0.112 45.117 45.100 0.215 0.000 0.721 195 G HN 0.180 nan 8.290 nan 0.000 0.486 196 V N 2.276 122.343 119.914 0.255 0.000 2.763 196 V HA 0.166 4.265 4.120 -0.036 0.000 0.306 196 V C 1.016 177.173 176.094 0.105 0.000 1.059 196 V CA 0.956 63.329 62.300 0.121 0.000 1.138 196 V CB 1.243 33.051 31.823 -0.024 0.000 0.940 196 V HN 0.345 nan 8.190 nan 0.000 0.489 197 D N 2.851 123.320 120.400 0.115 0.000 2.339 197 D HA 0.280 4.898 4.640 -0.036 0.000 0.217 197 D C 0.679 177.180 176.300 0.336 0.000 1.050 197 D CA 0.967 55.084 54.000 0.195 0.000 0.856 197 D CB 1.048 41.901 40.800 0.087 0.000 0.922 197 D HN 0.776 nan 8.370 nan 0.000 0.518 198 G N 0.110 108.999 108.800 0.149 0.000 2.315 198 G HA2 0.308 4.246 3.960 -0.036 0.000 0.294 198 G HA3 0.308 4.246 3.960 -0.036 0.000 0.294 198 G C -2.276 172.601 174.900 -0.038 0.000 1.300 198 G CA -1.076 44.132 45.100 0.180 0.000 0.843 198 G HN 0.064 nan 8.290 nan 0.000 0.527 199 W N -0.053 121.318 121.300 0.118 0.000 3.022 199 W HA 0.740 5.379 4.660 -0.036 0.000 0.335 199 W C 0.003 176.425 176.519 -0.162 0.000 1.133 199 W CA -0.891 56.511 57.345 0.094 0.000 1.219 199 W CB 2.150 31.811 29.460 0.334 0.000 1.409 199 W HN 0.459 nan 8.180 nan 0.000 0.507 200 R N 3.969 124.524 120.500 0.092 0.000 2.246 200 R HA 0.469 4.788 4.340 -0.036 0.000 0.332 200 R C -1.391 174.814 176.300 -0.158 0.000 0.974 200 R CA -0.507 55.445 56.100 -0.248 0.000 0.837 200 R CB 0.439 30.460 30.300 -0.466 0.000 1.145 200 R HN 0.758 nan 8.270 nan 0.000 0.467 201 L N 3.692 124.691 121.223 -0.374 0.000 2.290 201 L HA 0.221 4.540 4.340 -0.036 0.000 0.284 201 L C 0.413 177.102 176.870 -0.301 0.000 1.078 201 L CA -0.561 54.047 54.840 -0.387 0.000 0.815 201 L CB 0.940 42.553 42.059 -0.743 0.000 1.162 201 L HN 0.492 nan 8.230 nan 0.000 0.435 202 D N 2.286 122.590 120.400 -0.158 0.000 2.351 202 D HA 0.177 4.796 4.640 -0.036 0.000 0.251 202 D C 0.534 176.820 176.300 -0.023 0.000 1.137 202 D CA -0.056 53.916 54.000 -0.047 0.000 0.879 202 D CB 1.104 41.916 40.800 0.020 0.000 1.181 202 D HN 0.403 nan 8.370 nan 0.000 0.448 203 V N 2.579 122.502 119.914 0.016 0.000 5.451 203 V HA -0.167 3.932 4.120 -0.036 0.000 0.205 203 V C -1.440 174.728 176.094 0.122 0.000 0.716 203 V CA 0.444 62.805 62.300 0.102 0.000 0.575 203 V CB -1.508 30.461 31.823 0.243 0.000 0.225 203 V HN 0.707 nan 8.190 nan 0.000 0.491 204 P HA -0.161 nan 4.420 nan 0.000 0.223 204 P C 1.389 178.873 177.300 0.307 0.000 1.144 204 P CA 1.863 65.005 63.100 0.071 0.000 0.783 204 P CB -0.121 31.288 31.700 -0.485 0.000 0.771 205 N N 0.079 118.868 118.700 0.149 0.000 2.512 205 N HA -0.111 4.608 4.740 -0.036 0.000 0.183 205 N C 1.127 176.864 175.510 0.378 0.000 1.073 205 N CA 0.731 53.992 53.050 0.351 0.000 0.911 205 N CB -0.576 38.054 38.487 0.239 0.000 0.964 205 N HN 0.111 nan 8.380 nan 0.000 0.447 206 E N 0.610 121.029 120.200 0.365 0.000 2.482 206 E HA 0.141 4.470 4.350 -0.036 0.000 0.196 206 E C 0.314 177.099 176.600 0.308 0.000 1.047 206 E CA 0.200 56.803 56.400 0.339 0.000 0.869 206 E CB 0.328 30.272 29.700 0.406 0.000 0.836 206 E HN 0.520 nan 8.360 nan 0.000 0.520 207 I N 2.973 123.784 120.570 0.402 0.000 2.697 207 I HA 0.086 4.235 4.170 -0.036 0.000 0.279 207 I C -1.566 174.812 176.117 0.436 0.000 1.171 207 I CA -1.427 60.059 61.300 0.310 0.000 1.135 207 I CB 1.560 39.687 38.000 0.212 0.000 1.445 207 I HN -0.194 nan 8.210 nan 0.000 0.541 208 P HA -0.153 nan 4.420 nan 0.000 0.222 208 P C 0.397 177.856 177.300 0.266 0.000 1.147 208 P CA 0.754 64.025 63.100 0.284 0.000 0.790 208 P CB 0.036 31.821 31.700 0.141 0.000 0.780 209 D N 2.148 122.663 120.400 0.191 0.000 2.426 209 D HA -0.031 4.588 4.640 -0.036 0.000 0.261 209 D C -0.890 175.559 176.300 0.249 0.000 1.245 209 D CA -1.566 52.525 54.000 0.152 0.000 0.917 209 D CB 0.524 41.357 40.800 0.055 0.000 1.123 209 D HN 0.148 nan 8.370 nan 0.000 0.508 210 P HA -0.146 nan 4.420 nan 0.000 0.223 210 P C 1.065 178.480 177.300 0.192 0.000 1.151 210 P CA 1.047 64.336 63.100 0.314 0.000 0.787 210 P CB -0.035 31.841 31.700 0.292 0.000 0.788 211 T N -4.179 110.456 114.554 0.136 0.000 2.985 211 T HA -0.105 4.223 4.350 -0.036 0.000 0.266 211 T C 1.681 176.428 174.700 0.077 0.000 1.076 211 T CA 0.197 62.350 62.100 0.088 0.000 1.135 211 T CB -1.230 67.677 68.868 0.065 0.000 0.890 211 T HN -0.101 nan 8.240 nan 0.000 0.480 212 F N 0.978 120.868 119.950 -0.101 0.000 2.075 212 F HA 0.102 4.608 4.527 -0.035 0.000 0.297 212 F C 1.873 177.568 175.800 -0.175 0.000 1.113 212 F CA 0.612 58.464 58.000 -0.247 0.000 1.218 212 F CB -0.662 38.034 39.000 -0.506 0.000 0.984 212 F HN 0.162 nan 8.300 nan 0.000 0.472 213 W N 0.527 121.849 121.300 0.038 0.000 2.402 213 W HA -0.082 4.557 4.660 -0.035 0.000 0.286 213 W C 2.547 179.056 176.519 -0.017 0.000 1.221 213 W CA 0.771 58.095 57.345 -0.034 0.000 1.257 213 W CB -0.333 29.155 29.460 0.046 0.000 1.120 213 W HN -0.117 nan 8.180 nan 0.000 0.551 214 R N 0.312 120.910 120.500 0.164 0.000 2.090 214 R HA -0.098 4.220 4.340 -0.036 0.000 0.228 214 R C 1.879 178.207 176.300 0.048 0.000 1.110 214 R CA 1.393 57.544 56.100 0.085 0.000 0.973 214 R CB -0.376 29.949 30.300 0.040 0.000 0.869 214 R HN 0.284 nan 8.270 nan 0.000 0.440 215 E N 0.014 120.205 120.200 -0.015 0.000 2.072 215 E HA -0.185 4.143 4.350 -0.036 0.000 0.191 215 E C 1.651 178.194 176.600 -0.095 0.000 0.985 215 E CA 0.969 57.329 56.400 -0.066 0.000 0.801 215 E CB -0.124 29.513 29.700 -0.105 0.000 0.750 215 E HN 0.205 nan 8.360 nan 0.000 0.452 216 F N 2.029 121.785 119.950 -0.324 0.000 2.065 216 F HA -0.263 4.243 4.527 -0.036 0.000 0.298 216 F C 2.538 178.299 175.800 -0.066 0.000 1.112 216 F CA 1.853 59.670 58.000 -0.304 0.000 1.212 216 F CB -0.024 38.774 39.000 -0.337 0.000 0.975 216 F HN -0.186 nan 8.300 nan 0.000 0.476 217 R N -0.070 120.591 120.500 0.269 0.000 2.083 217 R HA -0.197 4.122 4.340 -0.036 0.000 0.237 217 R C 2.275 178.606 176.300 0.053 0.000 1.137 217 R CA 1.848 58.070 56.100 0.202 0.000 0.951 217 R CB -0.337 30.090 30.300 0.210 0.000 0.851 217 R HN 0.330 nan 8.270 nan 0.000 0.434 218 Q N 0.097 119.910 119.800 0.023 0.000 2.124 218 Q HA -0.129 4.190 4.340 -0.036 0.000 0.202 218 Q C 2.112 178.093 176.000 -0.032 0.000 0.977 218 Q CA 1.189 56.993 55.803 0.003 0.000 0.850 218 Q CB -0.209 28.529 28.738 -0.000 0.000 0.901 218 Q HN 0.301 nan 8.270 nan 0.000 0.429 219 R N -0.028 120.415 120.500 -0.095 0.000 2.075 219 R HA -0.021 4.298 4.340 -0.036 0.000 0.232 219 R C 2.387 178.621 176.300 -0.109 0.000 1.126 219 R CA 0.727 56.755 56.100 -0.121 0.000 0.963 219 R CB -0.913 29.266 30.300 -0.202 0.000 0.858 219 R HN 0.143 nan 8.270 nan 0.000 0.435 220 V N 1.871 121.682 119.914 -0.173 0.000 2.270 220 V HA -0.183 3.915 4.120 -0.036 0.000 0.245 220 V C 2.355 178.482 176.094 0.054 0.000 1.043 220 V CA 1.532 63.797 62.300 -0.058 0.000 1.014 220 V CB -0.334 31.438 31.823 -0.084 0.000 0.645 220 V HN 0.184 nan 8.190 nan 0.000 0.447 221 K N 0.548 120.984 120.400 0.061 0.000 2.209 221 K HA -0.097 4.202 4.320 -0.036 0.000 0.204 221 K C 2.146 178.791 176.600 0.075 0.000 1.048 221 K CA 1.400 57.744 56.287 0.095 0.000 0.940 221 K CB -0.879 31.679 32.500 0.097 0.000 0.729 221 K HN 0.562 nan 8.250 nan 0.000 0.451 222 G N 0.897 109.723 108.800 0.043 0.000 2.422 222 G HA2 -0.178 3.761 3.960 -0.036 0.000 0.218 222 G HA3 -0.178 3.761 3.960 -0.036 0.000 0.218 222 G C 1.583 176.510 174.900 0.044 0.000 1.140 222 G CA 0.870 45.991 45.100 0.036 0.000 0.775 222 G HN 0.367 nan 8.290 nan 0.000 0.545 223 A N -0.650 122.201 122.820 0.051 0.000 2.072 223 A HA 0.219 4.518 4.320 -0.036 0.000 0.216 223 A C 1.010 178.642 177.584 0.080 0.000 1.156 223 A CA 0.755 52.829 52.037 0.062 0.000 0.701 223 A CB 0.058 19.100 19.000 0.070 0.000 0.816 223 A HN 0.333 nan 8.150 nan 0.000 0.458 224 N N -1.273 117.487 118.700 0.100 0.000 2.976 224 N HA 0.108 4.826 4.740 -0.036 0.000 0.249 224 N C -2.816 172.786 175.510 0.153 0.000 1.258 224 N CA -0.945 52.178 53.050 0.122 0.000 0.864 224 N CB 1.374 39.946 38.487 0.141 0.000 1.551 224 N HN -0.126 nan 8.380 nan 0.000 0.607 225 P HA -0.098 nan 4.420 nan 0.000 0.221 225 P C 0.173 177.610 177.300 0.229 0.000 1.145 225 P CA 1.262 64.455 63.100 0.155 0.000 0.795 225 P CB 0.507 32.278 31.700 0.119 0.000 0.775 226 E N -0.462 119.905 120.200 0.277 0.000 2.479 226 E HA 0.254 4.583 4.350 -0.036 0.000 0.193 226 E C 0.785 177.749 176.600 0.606 0.000 1.049 226 E CA -0.443 56.223 56.400 0.443 0.000 0.870 226 E CB 0.025 29.981 29.700 0.426 0.000 0.944 226 E HN 0.197 nan 8.360 nan 0.000 0.492 227 A N 1.383 124.449 122.820 0.410 0.000 2.498 227 A HA 0.034 4.333 4.320 -0.036 0.000 0.239 227 A C -0.715 177.022 177.584 0.256 0.000 1.068 227 A CA 0.075 52.344 52.037 0.386 0.000 0.766 227 A CB -0.030 19.137 19.000 0.278 0.000 1.003 227 A HN 0.266 nan 8.150 nan 0.000 0.497 228 Y N 2.172 122.490 120.300 0.030 0.000 2.330 228 Y HA 0.613 5.142 4.550 -0.035 0.000 0.336 228 Y C -0.525 175.275 175.900 -0.166 0.000 1.036 228 Y CA -1.256 56.553 58.100 -0.485 0.000 1.125 228 Y CB 0.895 39.037 38.460 -0.531 0.000 1.194 228 Y HN 0.506 nan 8.280 nan 0.000 0.469 229 I N 7.775 128.033 120.570 -0.520 0.000 2.410 229 I HA 0.416 4.564 4.170 -0.036 0.000 0.286 229 I C -1.234 174.456 176.117 -0.712 0.000 1.009 229 I CA -0.971 60.113 61.300 -0.360 0.000 1.111 229 I CB 1.690 39.715 38.000 0.042 0.000 1.262 229 I HN 0.421 nan 8.210 nan 0.000 0.443 230 V N 5.713 125.112 119.914 -0.858 0.000 2.656 230 V HA 0.884 4.983 4.120 -0.036 0.000 0.307 230 V C -0.146 175.406 176.094 -0.904 0.000 1.051 230 V CA -0.070 61.704 62.300 -0.876 0.000 0.893 230 V CB 1.945 33.175 31.823 -0.987 0.000 0.999 230 V HN 0.782 nan 8.190 nan 0.000 0.426 231 G N 3.458 111.651 108.800 -1.012 0.000 2.432 231 G HA2 0.516 4.455 3.960 -0.036 0.000 0.331 231 G HA3 0.516 4.455 3.960 -0.036 0.000 0.331 231 G C -0.748 173.786 174.900 -0.609 0.000 1.170 231 G CA -0.572 43.855 45.100 -1.121 0.000 0.943 231 G HN 0.902 nan 8.290 nan 0.000 0.483 232 E N 1.428 121.350 120.200 -0.463 0.000 1.932 232 E HA 0.244 4.572 4.350 -0.036 0.000 0.275 232 E C -0.572 175.935 176.600 -0.154 0.000 1.159 232 E CA -0.363 55.894 56.400 -0.238 0.000 0.905 232 E CB 0.168 29.824 29.700 -0.073 0.000 1.059 232 E HN 0.088 nan 8.360 nan 0.000 0.400 233 I N 5.038 125.525 120.570 -0.137 0.000 2.447 233 I HA 0.107 4.255 4.170 -0.036 0.000 0.287 233 I C -0.221 175.967 176.117 0.118 0.000 1.023 233 I CA -0.752 60.537 61.300 -0.020 0.000 1.083 233 I CB 0.935 38.862 38.000 -0.121 0.000 1.245 233 I HN 0.743 nan 8.210 nan 0.000 0.434 234 W N 3.498 124.806 121.300 0.014 0.000 3.047 234 W HA 0.115 4.754 4.660 -0.035 0.000 0.250 234 W C 0.853 177.419 176.519 0.078 0.000 1.314 234 W CA 0.169 57.527 57.345 0.022 0.000 1.540 234 W CB 0.158 29.514 29.460 -0.172 0.000 1.127 234 W HN 0.482 nan 8.180 nan 0.000 0.679 235 E N -0.455 119.915 120.200 0.283 0.000 2.489 235 E HA 0.102 4.431 4.350 -0.036 0.000 0.201 235 E C -0.067 176.674 176.600 0.235 0.000 0.752 235 E CA -0.725 55.809 56.400 0.222 0.000 0.948 235 E CB 0.131 29.944 29.700 0.188 0.000 1.871 235 E HN -0.233 nan 8.360 nan 0.000 0.383 236 E N 0.420 120.756 120.200 0.227 0.000 2.452 236 E HA 0.212 4.540 4.350 -0.036 0.000 0.261 236 E C -0.664 176.172 176.600 0.394 0.000 0.987 236 E CA 0.091 56.662 56.400 0.285 0.000 0.926 236 E CB 0.728 30.543 29.700 0.193 0.000 0.934 236 E HN 0.456 nan 8.360 nan 0.000 0.452 237 A N 3.284 126.400 122.820 0.493 0.000 2.992 237 A HA 0.221 4.520 4.320 -0.036 0.000 0.263 237 A C 0.179 178.048 177.584 0.475 0.000 0.928 237 A CA -0.476 51.904 52.037 0.571 0.000 1.061 237 A CB -0.014 19.245 19.000 0.432 0.000 1.173 237 A HN 0.470 nan 8.150 nan 0.000 0.482 238 D N -0.185 120.486 120.400 0.453 0.000 2.123 238 D HA -0.192 4.427 4.640 -0.036 0.000 0.196 238 D C 1.369 177.751 176.300 0.138 0.000 0.992 238 D CA 1.675 55.885 54.000 0.351 0.000 0.833 238 D CB -0.261 40.682 40.800 0.239 0.000 0.954 238 D HN 0.572 nan 8.370 nan 0.000 0.455 239 F N 0.253 120.118 119.950 -0.142 0.000 2.120 239 F HA -0.198 4.308 4.527 -0.036 0.000 0.300 239 F C 1.371 176.897 175.800 -0.458 0.000 1.095 239 F CA 1.320 59.064 58.000 -0.427 0.000 1.249 239 F CB -0.133 38.344 39.000 -0.872 0.000 0.995 239 F HN 0.080 nan 8.300 nan 0.000 0.480 240 W N 0.205 121.421 121.300 -0.140 0.000 3.256 240 W HA 0.223 4.862 4.660 -0.036 0.000 0.269 240 W C 0.353 176.648 176.519 -0.374 0.000 1.310 240 W CA 0.171 57.250 57.345 -0.445 0.000 1.673 240 W CB -0.437 28.837 29.460 -0.310 0.000 1.115 240 W HN 0.078 nan 8.180 nan 0.000 0.686 241 L N 0.689 121.870 121.223 -0.071 0.000 3.288 241 L HA 0.168 4.487 4.340 -0.036 0.000 0.293 241 L C 1.604 178.446 176.870 -0.047 0.000 1.294 241 L CA -0.066 54.733 54.840 -0.069 0.000 1.006 241 L CB 0.147 42.111 42.059 -0.158 0.000 1.407 241 L HN -0.278 nan 8.230 nan 0.000 0.592 242 Q N 0.574 120.307 119.800 -0.111 0.000 2.451 242 Q HA 0.140 4.459 4.340 -0.036 0.000 0.206 242 Q C 1.654 177.622 176.000 -0.052 0.000 0.947 242 Q CA 0.907 56.664 55.803 -0.077 0.000 0.937 242 Q CB 0.745 29.401 28.738 -0.136 0.000 1.025 242 Q HN 0.635 nan 8.270 nan 0.000 0.511 243 G N 1.361 110.129 108.800 -0.053 0.000 2.218 243 G HA2 -0.191 3.748 3.960 -0.036 0.000 0.216 243 G HA3 -0.191 3.748 3.960 -0.036 0.000 0.216 243 G C -0.036 174.852 174.900 -0.020 0.000 0.994 243 G CA 0.224 45.315 45.100 -0.015 0.000 0.637 243 G HN 0.473 nan 8.290 nan 0.000 0.505 247 D N 0.417 120.852 120.400 0.058 0.000 2.327 247 D HA 0.500 5.119 4.640 -0.036 0.000 0.205 247 D C 0.524 176.834 176.300 0.018 0.000 0.989 247 D CA 1.238 55.257 54.000 0.032 0.000 0.873 247 D CB 0.951 41.733 40.800 -0.029 0.000 0.955 247 D HN 0.603 nan 8.370 nan 0.000 0.515 248 A N -0.257 122.517 122.820 -0.077 0.000 2.483 248 A HA 0.561 4.860 4.320 -0.036 0.000 0.294 248 A C -1.191 176.266 177.584 -0.212 0.000 1.077 248 A CA -0.415 51.553 52.037 -0.116 0.000 0.633 248 A CB 0.764 19.744 19.000 -0.033 0.000 1.318 248 A HN 0.015 nan 8.150 nan 0.000 0.455 252 Y N 0.264 120.435 120.300 -0.214 0.000 2.256 252 Y HA -0.018 4.511 4.550 -0.035 0.000 0.288 252 Y C -0.647 175.221 175.900 -0.053 0.000 1.155 252 Y CA 1.457 59.436 58.100 -0.202 0.000 1.203 252 Y CB -0.806 37.450 38.460 -0.340 0.000 0.980 252 Y HN 0.372 nan 8.280 nan 0.000 0.530 253 P HA -0.167 nan 4.420 nan 0.000 0.217 253 P C 1.726 179.044 177.300 0.030 0.000 1.150 253 P CA 1.084 64.234 63.100 0.083 0.000 0.832 253 P CB 0.006 31.747 31.700 0.067 0.000 0.787 254 L N -0.396 120.821 121.223 -0.010 0.000 2.141 254 L HA -0.009 4.310 4.340 -0.036 0.000 0.209 254 L C 2.114 179.004 176.870 0.034 0.000 1.094 254 L CA 1.690 56.513 54.840 -0.028 0.000 0.763 254 L CB -1.529 40.503 42.059 -0.045 0.000 0.908 254 L HN -0.139 nan 8.230 nan 0.000 0.437 255 A N -0.330 122.499 122.820 0.016 0.000 1.898 255 A HA -0.186 4.113 4.320 -0.036 0.000 0.216 255 A C 2.398 180.032 177.584 0.083 0.000 1.181 255 A CA 1.575 53.632 52.037 0.033 0.000 0.620 255 A CB -0.472 18.529 19.000 0.001 0.000 0.819 255 A HN 0.490 nan 8.150 nan 0.000 0.442 256 R N -0.482 120.080 120.500 0.103 0.000 2.081 256 R HA -0.061 4.257 4.340 -0.036 0.000 0.235 256 R C 2.492 178.860 176.300 0.114 0.000 1.131 256 R CA 1.171 57.335 56.100 0.107 0.000 0.960 256 R CB -0.476 29.890 30.300 0.110 0.000 0.856 256 R HN 0.511 nan 8.270 nan 0.000 0.436 257 A N 0.870 123.775 122.820 0.141 0.000 1.855 257 A HA -0.106 4.192 4.320 -0.036 0.000 0.215 257 A C 2.399 180.163 177.584 0.300 0.000 1.191 257 A CA 1.375 53.566 52.037 0.257 0.000 0.613 257 A CB -0.623 18.522 19.000 0.243 0.000 0.829 257 A HN 0.100 nan 8.150 nan 0.000 0.442 258 V N 0.231 120.309 119.914 0.273 0.000 2.343 258 V HA -0.264 3.835 4.120 -0.036 0.000 0.247 258 V C 2.587 178.685 176.094 0.008 0.000 1.051 258 V CA 1.970 64.331 62.300 0.101 0.000 1.036 258 V CB -0.818 31.096 31.823 0.151 0.000 0.654 258 V HN 0.552 nan 8.190 nan 0.000 0.451 259 L N 0.294 121.543 121.223 0.043 0.000 2.046 259 L HA -0.101 4.217 4.340 -0.036 0.000 0.208 259 L C 2.635 179.508 176.870 0.004 0.000 1.077 259 L CA 1.818 56.668 54.840 0.015 0.000 0.747 259 L CB -1.117 40.962 42.059 0.033 0.000 0.896 259 L HN 0.476 nan 8.230 nan 0.000 0.432 260 G N -0.625 108.200 108.800 0.041 0.000 2.402 260 G HA2 -0.303 3.635 3.960 -0.036 0.000 0.216 260 G HA3 -0.303 3.635 3.960 -0.036 0.000 0.216 260 G C 1.431 176.359 174.900 0.047 0.000 1.162 260 G CA 0.452 45.581 45.100 0.049 0.000 0.777 260 G HN 0.254 nan 8.290 nan 0.000 0.539 261 F N 1.294 121.125 119.950 -0.198 0.000 2.074 261 F HA 0.005 4.510 4.527 -0.037 0.000 0.293 261 F C 2.640 178.306 175.800 -0.224 0.000 1.116 261 F CA 1.247 59.058 58.000 -0.315 0.000 1.212 261 F CB -0.470 38.004 39.000 -0.877 0.000 0.998 261 F HN -0.008 nan 8.300 nan 0.000 0.471 262 V N 0.335 120.047 119.914 -0.338 0.000 2.453 262 V HA -0.110 3.988 4.120 -0.036 0.000 0.247 262 V C 2.726 178.709 176.094 -0.186 0.000 1.048 262 V CA 1.708 63.817 62.300 -0.317 0.000 1.049 262 V CB -1.561 30.171 31.823 -0.153 0.000 0.672 262 V HN 0.538 nan 8.190 nan 0.000 0.457 263 G N -0.642 108.081 108.800 -0.127 0.000 2.432 263 G HA2 0.193 4.132 3.960 -0.036 0.000 0.219 263 G HA3 0.193 4.132 3.960 -0.036 0.000 0.219 263 G C 1.119 175.967 174.900 -0.086 0.000 1.135 263 G CA 1.076 46.117 45.100 -0.099 0.000 0.767 263 G HN 0.905 nan 8.290 nan 0.000 0.550 264 G N 0.214 108.963 108.800 -0.085 0.000 2.574 264 G HA2 -0.311 3.627 3.960 -0.036 0.000 0.282 264 G HA3 -0.311 3.627 3.960 -0.036 0.000 0.282 264 G C 0.804 175.685 174.900 -0.033 0.000 1.257 264 G CA 0.451 45.514 45.100 -0.061 0.000 0.956 264 G HN 0.251 nan 8.290 nan 0.000 0.560 265 E N 0.510 120.696 120.200 -0.024 0.000 2.427 265 E HA 0.164 4.493 4.350 -0.036 0.000 0.196 265 E C 2.647 179.234 176.600 -0.021 0.000 1.028 265 E CA 1.106 57.497 56.400 -0.015 0.000 0.864 265 E CB -0.271 29.424 29.700 -0.008 0.000 0.813 265 E HN 0.803 nan 8.360 nan 0.000 0.514 266 A N 0.804 123.604 122.820 -0.032 0.000 2.235 266 A HA 0.002 4.301 4.320 -0.036 0.000 0.208 266 A C 1.106 178.661 177.584 -0.048 0.000 1.172 266 A CA -0.160 51.851 52.037 -0.044 0.000 0.786 266 A CB -0.279 18.681 19.000 -0.067 0.000 0.804 266 A HN 0.152 nan 8.150 nan 0.000 0.479 267 L N 0.360 121.557 121.223 -0.042 0.000 2.456 267 L HA 0.181 4.499 4.340 -0.036 0.000 0.272 267 L C -0.049 176.806 176.870 -0.025 0.000 1.189 267 L CA 0.015 54.833 54.840 -0.036 0.000 0.846 267 L CB 0.469 42.512 42.059 -0.026 0.000 1.111 267 L HN 0.158 nan 8.230 nan 0.000 0.475 268 D N 4.357 124.742 120.400 -0.024 0.000 2.522 268 D HA 0.107 4.726 4.640 -0.036 0.000 0.218 268 D C 1.017 177.309 176.300 -0.013 0.000 1.149 268 D CA -0.041 53.947 54.000 -0.019 0.000 0.981 268 D CB 0.361 41.148 40.800 -0.021 0.000 1.041 268 D HN 0.585 nan 8.370 nan 0.000 0.518 269 R N 1.364 121.858 120.500 -0.010 0.000 2.152 269 R HA -0.090 4.229 4.340 -0.036 0.000 0.232 269 R C 1.074 177.368 176.300 -0.009 0.000 1.117 269 R CA 0.799 56.896 56.100 -0.006 0.000 0.981 269 R CB 0.312 30.609 30.300 -0.004 0.000 0.870 269 R HN 0.401 nan 8.270 nan 0.000 0.451 270 D N 0.756 121.148 120.400 -0.012 0.000 2.144 270 D HA -0.134 4.485 4.640 -0.036 0.000 0.200 270 D C 1.869 178.159 176.300 -0.016 0.000 0.978 270 D CA 0.859 54.850 54.000 -0.015 0.000 0.833 270 D CB 0.017 40.809 40.800 -0.015 0.000 0.961 270 D HN 0.080 nan 8.370 nan 0.000 0.470 271 L N 1.278 122.492 121.223 -0.016 0.000 2.027 271 L HA -0.027 4.292 4.340 -0.036 0.000 0.206 271 L C 2.270 179.130 176.870 -0.015 0.000 1.074 271 L CA 1.576 56.405 54.840 -0.017 0.000 0.745 271 L CB -0.734 41.315 42.059 -0.017 0.000 0.898 271 L HN -0.078 nan 8.230 nan 0.000 0.433 272 A N -0.620 122.194 122.820 -0.009 0.000 1.972 272 A HA -0.089 4.210 4.320 -0.036 0.000 0.219 272 A C 2.363 179.943 177.584 -0.007 0.000 1.169 272 A CA 1.544 53.582 52.037 0.001 0.000 0.635 272 A CB -1.066 17.942 19.000 0.013 0.000 0.810 272 A HN 0.530 nan 8.150 nan 0.000 0.446 273 A N -0.735 122.077 122.820 -0.014 0.000 2.121 273 A HA -0.132 4.166 4.320 -0.036 0.000 0.218 273 A C 1.871 179.433 177.584 -0.037 0.000 1.154 273 A CA 1.276 53.299 52.037 -0.024 0.000 0.679 273 A CB -0.434 18.552 19.000 -0.023 0.000 0.795 273 A HN 0.672 nan 8.150 nan 0.000 0.458 274 Q N -0.055 119.725 119.800 -0.034 0.000 2.482 274 Q HA 0.037 4.355 4.340 -0.036 0.000 0.209 274 Q C 0.610 176.578 176.000 -0.053 0.000 0.961 274 Q CA 0.880 56.660 55.803 -0.040 0.000 0.945 274 Q CB -0.031 28.688 28.738 -0.032 0.000 1.012 274 Q HN 0.835 nan 8.270 nan 0.000 0.515 275 T N -6.367 108.150 114.554 -0.062 0.000 2.626 275 T HA 0.429 4.758 4.350 -0.036 0.000 0.279 275 T C 1.079 175.683 174.700 -0.159 0.000 0.983 275 T CA -0.261 61.781 62.100 -0.097 0.000 1.059 275 T CB 0.808 69.640 68.868 -0.060 0.000 1.396 275 T HN -0.048 nan 8.240 nan 0.000 0.519 276 G N -0.263 108.348 108.800 -0.316 0.000 2.559 276 G HA2 0.051 3.990 3.960 -0.036 0.000 0.216 276 G HA3 0.051 3.990 3.960 -0.036 0.000 0.216 276 G C 1.304 176.113 174.900 -0.153 0.000 1.126 276 G CA 0.285 45.030 45.100 -0.592 0.000 0.778 276 G HN 0.635 nan 8.290 nan 0.000 0.543 277 L N 0.150 121.420 121.223 0.078 0.000 2.131 277 L HA 0.124 4.443 4.340 -0.036 0.000 0.210 277 L C 1.860 178.775 176.870 0.075 0.000 1.092 277 L CA 0.753 55.691 54.840 0.162 0.000 0.759 277 L CB -0.798 41.343 42.059 0.136 0.000 0.903 277 L HN 0.464 nan 8.230 nan 0.000 0.435 278 G N -0.138 108.667 108.800 0.007 0.000 2.782 278 G HA2 -0.317 3.622 3.960 -0.036 0.000 0.228 278 G HA3 -0.317 3.622 3.960 -0.036 0.000 0.228 278 G C -0.262 174.641 174.900 0.005 0.000 1.372 278 G CA -0.352 44.743 45.100 -0.009 0.000 0.862 278 G HN 0.265 nan 8.290 nan 0.000 0.547 279 R N -0.040 120.459 120.500 -0.002 0.000 2.272 279 R HA 0.394 4.713 4.340 -0.036 0.000 0.334 279 R C 0.732 177.041 176.300 0.015 0.000 1.117 279 R CA -0.437 55.665 56.100 0.002 0.000 0.966 279 R CB -0.324 29.972 30.300 -0.006 0.000 1.049 279 R HN 0.409 nan 8.270 nan 0.000 0.477 280 I N 5.196 125.780 120.570 0.024 0.000 2.517 280 I HA -0.048 4.100 4.170 -0.036 0.000 0.285 280 I C 0.766 176.901 176.117 0.029 0.000 1.106 280 I CA 0.239 61.560 61.300 0.035 0.000 1.402 280 I CB 0.595 38.620 38.000 0.042 0.000 1.399 280 I HN 0.560 nan 8.210 nan 0.000 0.535 281 E N 7.898 128.119 120.200 0.035 0.000 2.289 281 E HA 0.348 4.677 4.350 -0.036 0.000 0.278 281 E C -2.521 174.105 176.600 0.043 0.000 1.032 281 E CA -2.041 54.379 56.400 0.033 0.000 0.854 281 E CB 0.175 29.894 29.700 0.032 0.000 1.046 281 E HN 0.280 nan 8.360 nan 0.000 0.409 282 P HA 0.016 nan 4.420 nan 0.000 0.267 282 P C -0.919 176.422 177.300 0.070 0.000 1.200 282 P CA 0.268 63.393 63.100 0.042 0.000 0.772 282 P CB 0.454 32.169 31.700 0.025 0.000 0.855 283 L N 1.996 123.284 121.223 0.109 0.000 2.422 283 L HA 0.380 4.699 4.340 -0.036 0.000 0.264 283 L C 0.130 177.142 176.870 0.236 0.000 0.984 283 L CA -1.008 53.926 54.840 0.158 0.000 0.819 283 L CB 2.031 44.210 42.059 0.199 0.000 1.330 283 L HN 0.251 nan 8.230 nan 0.000 0.410 284 Q N 0.568 120.473 119.800 0.176 0.000 2.180 284 Q HA 0.426 4.744 4.340 -0.036 0.000 0.241 284 Q C 0.856 176.953 176.000 0.161 0.000 0.970 284 Q CA -0.034 55.880 55.803 0.185 0.000 0.919 284 Q CB 1.596 30.377 28.738 0.072 0.000 1.222 284 Q HN 0.807 nan 8.270 nan 0.000 0.482 285 A N 1.049 123.971 122.820 0.171 0.000 1.870 285 A HA -0.258 4.041 4.320 -0.036 0.000 0.219 285 A C 1.850 179.337 177.584 -0.162 0.000 1.224 285 A CA 2.255 54.260 52.037 -0.053 0.000 0.650 285 A CB -0.907 18.105 19.000 0.020 0.000 0.836 285 A HN 0.613 nan 8.150 nan 0.000 0.454 286 L N -0.531 120.599 121.223 -0.155 0.000 2.012 286 L HA -0.117 4.202 4.340 -0.036 0.000 0.210 286 L C 2.771 179.442 176.870 -0.332 0.000 1.073 286 L CA 2.459 57.131 54.840 -0.281 0.000 0.748 286 L CB -0.855 41.063 42.059 -0.235 0.000 0.891 286 L HN 0.411 nan 8.230 nan 0.000 0.431 287 A N -1.192 121.558 122.820 -0.117 0.000 1.902 287 A HA -0.257 4.042 4.320 -0.036 0.000 0.217 287 A C 2.253 179.816 177.584 -0.035 0.000 1.181 287 A CA 1.738 53.770 52.037 -0.009 0.000 0.623 287 A CB -1.128 17.904 19.000 0.054 0.000 0.818 287 A HN 0.539 nan 8.150 nan 0.000 0.443 288 F N 0.948 120.756 119.950 -0.238 0.000 2.102 288 F HA -0.131 4.374 4.527 -0.037 0.000 0.298 288 F C 2.627 178.227 175.800 -0.332 0.000 1.105 288 F CA 1.741 59.546 58.000 -0.326 0.000 1.239 288 F CB -0.716 37.877 39.000 -0.678 0.000 0.991 288 F HN 0.218 nan 8.300 nan 0.000 0.474 289 S N -0.853 114.541 115.700 -0.510 0.000 2.382 289 S HA -0.213 4.236 4.470 -0.036 0.000 0.228 289 S C 2.133 176.519 174.600 -0.358 0.000 1.027 289 S CA 1.278 59.185 58.200 -0.488 0.000 0.991 289 S CB -0.628 62.436 63.200 -0.226 0.000 0.823 289 S HN 0.548 nan 8.310 nan 0.000 0.469 290 H N 1.575 120.500 119.070 -0.241 0.000 2.387 290 H HA 0.083 4.618 4.556 -0.035 0.000 0.299 290 H C 2.406 177.566 175.328 -0.281 0.000 1.090 290 H CA 1.317 57.248 56.048 -0.196 0.000 1.332 290 H CB -0.196 29.491 29.762 -0.126 0.000 1.386 290 H HN 0.307 nan 8.280 nan 0.000 0.516 291 R N 0.505 120.873 120.500 -0.220 0.000 2.081 291 R HA -0.055 4.264 4.340 -0.036 0.000 0.235 291 R C 2.672 178.648 176.300 -0.541 0.000 1.131 291 R CA 0.500 56.417 56.100 -0.304 0.000 0.960 291 R CB -0.861 29.287 30.300 -0.253 0.000 0.856 291 R HN 0.338 nan 8.270 nan 0.000 0.436 292 L N 0.806 121.528 121.223 -0.835 0.000 2.046 292 L HA -0.155 4.164 4.340 -0.036 0.000 0.208 292 L C 2.252 178.454 176.870 -1.113 0.000 1.077 292 L CA 1.442 55.473 54.840 -1.349 0.000 0.747 292 L CB -0.498 40.589 42.059 -1.621 0.000 0.896 292 L HN 0.222 nan 8.230 nan 0.000 0.432 293 E N -0.038 119.837 120.200 -0.541 0.000 2.153 293 E HA -0.264 4.065 4.350 -0.036 0.000 0.194 293 E C 1.654 178.150 176.600 -0.173 0.000 0.988 293 E CA 1.480 57.776 56.400 -0.172 0.000 0.811 293 E CB -0.089 29.622 29.700 0.018 0.000 0.746 293 E HN 0.452 nan 8.360 nan 0.000 0.466 294 D N 0.686 120.939 120.400 -0.246 0.000 2.103 294 D HA -0.094 4.525 4.640 -0.036 0.000 0.199 294 D C 1.905 178.048 176.300 -0.261 0.000 0.978 294 D CA 0.780 54.653 54.000 -0.212 0.000 0.829 294 D CB -0.020 40.664 40.800 -0.192 0.000 0.981 294 D HN 0.072 nan 8.370 nan 0.000 0.464 295 L N -0.569 120.433 121.223 -0.368 0.000 2.083 295 L HA -0.108 4.211 4.340 -0.036 0.000 0.209 295 L C 1.771 178.564 176.870 -0.128 0.000 1.083 295 L CA 0.620 55.269 54.840 -0.317 0.000 0.752 295 L CB -0.374 41.411 42.059 -0.456 0.000 0.899 295 L HN 0.089 nan 8.230 nan 0.000 0.433 296 F N -0.704 119.154 119.950 -0.152 0.000 2.780 296 F HA 0.112 4.617 4.527 -0.036 0.000 0.299 296 F C 2.047 177.815 175.800 -0.054 0.000 1.146 296 F CA 0.486 58.430 58.000 -0.093 0.000 1.428 296 F CB -0.831 38.086 39.000 -0.138 0.000 1.115 296 F HN -0.038 nan 8.300 nan 0.000 0.583 297 G N -0.141 108.693 108.800 0.057 0.000 2.833 297 G HA2 0.009 3.948 3.960 -0.036 0.000 0.214 297 G HA3 0.009 3.948 3.960 -0.036 0.000 0.214 297 G C 1.575 176.430 174.900 -0.075 0.000 1.075 297 G CA -0.178 44.930 45.100 0.014 0.000 0.799 297 G HN 0.331 nan 8.290 nan 0.000 0.541 298 R N -0.862 119.498 120.500 -0.234 0.000 2.323 298 R HA 0.202 4.521 4.340 -0.036 0.000 0.198 298 R C -0.364 175.685 176.300 -0.418 0.000 0.988 298 R CA 0.286 56.161 56.100 -0.375 0.000 1.041 298 R CB -0.314 29.657 30.300 -0.548 0.000 0.926 298 R HN 0.296 nan 8.270 nan 0.000 0.476 299 Y N 0.456 120.784 120.300 0.048 0.000 2.602 299 Y HA 0.441 4.970 4.550 -0.036 0.000 0.342 299 Y C 0.106 176.035 175.900 0.049 0.000 1.029 299 Y CA -1.978 56.152 58.100 0.051 0.000 1.080 299 Y CB 0.919 39.418 38.460 0.064 0.000 1.284 299 Y HN -0.240 nan 8.280 nan 0.000 0.485 300 R N 2.909 123.543 120.500 0.222 0.000 2.698 300 R HA 0.037 4.356 4.340 -0.036 0.000 0.266 300 R C -1.578 174.801 176.300 0.131 0.000 1.026 300 R CA -0.795 55.385 56.100 0.133 0.000 1.102 300 R CB 0.012 30.372 30.300 0.101 0.000 0.978 300 R HN 0.422 nan 8.270 nan 0.000 0.436 301 P HA -0.250 nan 4.420 nan 0.000 0.216 301 P C 0.311 177.651 177.300 0.067 0.000 1.150 301 P CA 1.514 64.660 63.100 0.075 0.000 0.843 301 P CB 0.172 31.904 31.700 0.053 0.000 0.787 302 E N 0.008 120.247 120.200 0.064 0.000 2.204 302 E HA -0.062 4.267 4.350 -0.036 0.000 0.194 302 E C 2.107 178.756 176.600 0.082 0.000 0.989 302 E CA 0.780 57.214 56.400 0.057 0.000 0.824 302 E CB -1.445 28.288 29.700 0.054 0.000 0.756 302 E HN 0.171 nan 8.360 nan 0.000 0.477 303 V N 1.429 121.401 119.914 0.097 0.000 2.407 303 V HA -0.153 3.946 4.120 -0.036 0.000 0.245 303 V C 2.594 178.746 176.094 0.097 0.000 1.041 303 V CA 1.037 63.390 62.300 0.088 0.000 1.040 303 V CB -0.205 31.655 31.823 0.061 0.000 0.671 303 V HN 0.073 nan 8.190 nan 0.000 0.455 304 V N 0.254 120.252 119.914 0.140 0.000 2.392 304 V HA -0.249 3.850 4.120 -0.036 0.000 0.249 304 V C 2.465 178.601 176.094 0.071 0.000 1.059 304 V CA 1.960 64.354 62.300 0.156 0.000 1.051 304 V CB -0.813 31.108 31.823 0.163 0.000 0.658 304 V HN 0.494 nan 8.190 nan 0.000 0.455 305 R N -0.114 120.410 120.500 0.041 0.000 2.276 305 R HA 0.135 4.454 4.340 -0.036 0.000 0.203 305 R C 1.860 178.173 176.300 0.021 0.000 1.017 305 R CA 0.940 57.044 56.100 0.008 0.000 1.010 305 R CB -0.174 30.122 30.300 -0.005 0.000 0.900 305 R HN 0.504 nan 8.270 nan 0.000 0.469 306 A N 0.196 123.053 122.820 0.063 0.000 2.390 306 A HA 0.108 4.406 4.320 -0.036 0.000 0.232 306 A C 0.593 178.231 177.584 0.090 0.000 1.233 306 A CA -0.284 51.816 52.037 0.104 0.000 0.907 306 A CB 0.308 19.471 19.000 0.272 0.000 0.967 306 A HN 0.050 nan 8.150 nan 0.000 0.512 310 L N -1.762 119.349 121.223 -0.188 0.000 2.304 310 L HA 0.717 5.035 4.340 -0.036 0.000 0.268 310 L C -0.173 176.611 176.870 -0.142 0.000 1.010 310 L CA -0.885 53.860 54.840 -0.158 0.000 0.813 310 L CB 1.576 43.493 42.059 -0.236 0.000 1.315 310 L HN 0.261 nan 8.230 nan 0.000 0.445 311 L N -0.278 120.898 121.223 -0.077 0.000 2.624 311 L HA 0.257 4.576 4.340 -0.036 0.000 0.222 311 L C 0.640 177.490 176.870 -0.033 0.000 1.046 311 L CA 0.722 55.541 54.840 -0.034 0.000 0.872 311 L CB 0.831 42.895 42.059 0.008 0.000 1.190 311 L HN 0.980 nan 8.230 nan 0.000 0.487 312 T N -2.942 111.582 114.554 -0.051 0.000 2.812 312 T HA 0.714 5.043 4.350 -0.036 0.000 0.294 312 T C -0.429 174.156 174.700 -0.192 0.000 1.159 312 T CA -0.182 61.870 62.100 -0.080 0.000 1.008 312 T CB 2.354 71.183 68.868 -0.064 0.000 1.289 312 T HN 0.122 nan 8.240 nan 0.000 0.514 313 S N -0.766 114.707 115.700 -0.379 0.000 2.724 313 S HA 0.337 4.785 4.470 -0.036 0.000 0.278 313 S C 0.724 174.778 174.600 -0.911 0.000 1.190 313 S CA -0.261 57.575 58.200 -0.606 0.000 0.860 313 S CB 0.239 63.369 63.200 -0.117 0.000 1.206 313 S HN 1.202 nan 8.310 nan 0.000 0.507 314 H N 0.134 118.832 119.070 -0.620 0.000 2.545 314 H HA 0.175 4.709 4.556 -0.036 0.000 0.282 314 H C -0.130 175.120 175.328 -0.131 0.000 1.020 314 H CA 1.170 57.059 56.048 -0.265 0.000 1.243 314 H CB -0.562 29.300 29.762 0.168 0.000 1.377 314 H HN 0.541 nan 8.280 nan 0.000 0.581 315 D N 1.301 121.383 120.400 -0.530 0.000 2.363 315 D HA 0.062 4.681 4.640 -0.036 0.000 0.214 315 D C 0.691 176.954 176.300 -0.062 0.000 1.093 315 D CA 0.521 54.361 54.000 -0.268 0.000 0.837 315 D CB 0.763 41.497 40.800 -0.110 0.000 0.948 315 D HN 0.581 nan 8.370 nan 0.000 0.507 316 T N -2.834 111.660 114.554 -0.101 0.000 2.887 316 T HA 0.612 4.941 4.350 -0.036 0.000 0.292 316 T C -3.046 171.608 174.700 -0.076 0.000 1.087 316 T CA -2.269 59.812 62.100 -0.033 0.000 1.009 316 T CB 2.572 71.459 68.868 0.031 0.000 1.203 316 T HN -0.368 nan 8.240 nan 0.000 0.518 317 P HA 0.365 nan 4.420 nan 0.000 0.274 317 P C -0.222 177.055 177.300 -0.038 0.000 1.237 317 P CA -0.641 62.436 63.100 -0.039 0.000 0.793 317 P CB 0.436 32.122 31.700 -0.024 0.000 0.977 318 R N 1.006 121.491 120.500 -0.026 0.000 2.641 318 R HA 0.085 4.404 4.340 -0.036 0.000 0.269 318 R C 1.395 177.688 176.300 -0.011 0.000 1.074 318 R CA -0.565 55.531 56.100 -0.008 0.000 1.133 318 R CB -0.075 30.221 30.300 -0.005 0.000 1.029 318 R HN 0.415 nan 8.270 nan 0.000 0.488 319 L N 3.138 124.360 121.223 -0.002 0.000 1.990 319 L HA -0.235 4.084 4.340 -0.036 0.000 0.213 319 L C 1.901 178.757 176.870 -0.022 0.000 1.072 319 L CA 1.785 56.621 54.840 -0.007 0.000 0.755 319 L CB -0.668 41.394 42.059 0.005 0.000 0.889 319 L HN 0.645 nan 8.230 nan 0.000 0.432 320 L N -0.979 120.230 121.223 -0.024 0.000 2.127 320 L HA -0.192 4.127 4.340 -0.036 0.000 0.211 320 L C 2.435 179.284 176.870 -0.035 0.000 1.089 320 L CA 2.023 56.843 54.840 -0.033 0.000 0.757 320 L CB -0.766 41.276 42.059 -0.028 0.000 0.899 320 L HN 0.359 nan 8.230 nan 0.000 0.434 321 S N -1.108 114.574 115.700 -0.029 0.000 2.436 321 S HA 0.054 4.502 4.470 -0.036 0.000 0.228 321 S C 0.865 175.447 174.600 -0.029 0.000 1.014 321 S CA -0.191 57.992 58.200 -0.028 0.000 0.950 321 S CB -0.146 63.038 63.200 -0.025 0.000 0.784 321 S HN 0.168 nan 8.310 nan 0.000 0.504 325 G N 0.775 109.545 108.800 -0.049 0.000 2.179 325 G HA2 -0.328 3.611 3.960 -0.036 0.000 0.260 325 G HA3 -0.328 3.611 3.960 -0.036 0.000 0.260 325 G C 0.085 174.947 174.900 -0.064 0.000 0.977 325 G CA 0.553 45.626 45.100 -0.046 0.000 0.641 325 G HN 0.330 nan 8.290 nan 0.000 0.533 326 S N 0.418 116.061 115.700 -0.096 0.000 2.700 326 S HA 0.417 4.865 4.470 -0.036 0.000 0.321 326 S C 1.902 176.414 174.600 -0.147 0.000 1.161 326 S CA 0.264 58.376 58.200 -0.146 0.000 1.078 326 S CB 0.518 63.581 63.200 -0.227 0.000 1.302 326 S HN 0.642 nan 8.310 nan 0.000 0.540 327 V N 5.356 125.210 119.914 -0.100 0.000 2.392 327 V HA -0.223 3.876 4.120 -0.036 0.000 0.249 327 V C 2.490 178.529 176.094 -0.091 0.000 1.059 327 V CA 2.410 64.668 62.300 -0.071 0.000 1.051 327 V CB -0.700 31.104 31.823 -0.032 0.000 0.658 327 V HN 0.953 nan 8.190 nan 0.000 0.455 328 E N 0.213 120.333 120.200 -0.134 0.000 2.150 328 E HA -0.233 4.095 4.350 -0.036 0.000 0.193 328 E C 2.276 178.731 176.600 -0.241 0.000 0.985 328 E CA 1.148 57.467 56.400 -0.135 0.000 0.814 328 E CB -0.327 29.308 29.700 -0.107 0.000 0.752 328 E HN 0.529 nan 8.360 nan 0.000 0.466 329 R N 0.621 120.870 120.500 -0.418 0.000 2.075 329 R HA 0.057 4.376 4.340 -0.036 0.000 0.226 329 R C 2.517 178.717 176.300 -0.167 0.000 1.114 329 R CA 1.061 56.918 56.100 -0.405 0.000 0.972 329 R CB -0.285 29.733 30.300 -0.470 0.000 0.869 329 R HN 0.246 nan 8.270 nan 0.000 0.437 330 A N 1.220 123.965 122.820 -0.126 0.000 1.933 330 A HA -0.191 4.108 4.320 -0.036 0.000 0.218 330 A C 2.111 179.687 177.584 -0.013 0.000 1.175 330 A CA 1.324 53.328 52.037 -0.055 0.000 0.628 330 A CB -0.432 18.541 19.000 -0.044 0.000 0.814 330 A HN 0.218 nan 8.150 nan 0.000 0.444 331 R N -0.910 119.581 120.500 -0.016 0.000 2.092 331 R HA -0.081 4.238 4.340 -0.036 0.000 0.231 331 R C 1.988 178.319 176.300 0.052 0.000 1.119 331 R CA 1.533 57.646 56.100 0.021 0.000 0.970 331 R CB -0.327 29.983 30.300 0.017 0.000 0.864 331 R HN 0.435 nan 8.270 nan 0.000 0.440 332 L N 0.470 121.723 121.223 0.049 0.000 2.072 332 L HA 0.064 4.382 4.340 -0.036 0.000 0.205 332 L C 2.215 179.149 176.870 0.106 0.000 1.079 332 L CA 1.960 56.858 54.840 0.098 0.000 0.752 332 L CB -0.492 41.644 42.059 0.128 0.000 0.906 332 L HN 0.215 nan 8.230 nan 0.000 0.436 333 A N -0.537 122.321 122.820 0.064 0.000 1.902 333 A HA -0.140 4.159 4.320 -0.036 0.000 0.217 333 A C 2.237 179.888 177.584 0.111 0.000 1.181 333 A CA 1.916 53.997 52.037 0.073 0.000 0.623 333 A CB -0.808 18.208 19.000 0.027 0.000 0.818 333 A HN 0.487 nan 8.150 nan 0.000 0.443 334 L N -0.924 120.367 121.223 0.114 0.000 2.044 334 L HA -0.140 4.179 4.340 -0.036 0.000 0.205 334 L C 3.131 180.162 176.870 0.269 0.000 1.075 334 L CA 0.942 55.884 54.840 0.171 0.000 0.747 334 L CB -0.601 41.553 42.059 0.157 0.000 0.903 334 L HN 0.426 nan 8.230 nan 0.000 0.435 335 A N 0.239 123.184 122.820 0.208 0.000 1.865 335 A HA -0.268 4.031 4.320 -0.036 0.000 0.217 335 A C 2.211 179.970 177.584 0.292 0.000 1.191 335 A CA 1.939 54.108 52.037 0.220 0.000 0.623 335 A CB -0.901 18.178 19.000 0.133 0.000 0.826 335 A HN 0.327 nan 8.150 nan 0.000 0.444 336 L N -0.145 121.234 121.223 0.260 0.000 2.129 336 L HA -0.153 4.165 4.340 -0.036 0.000 0.212 336 L C 2.230 179.268 176.870 0.279 0.000 1.087 336 L CA 1.596 56.622 54.840 0.310 0.000 0.757 336 L CB -0.549 41.704 42.059 0.323 0.000 0.896 336 L HN 0.435 nan 8.230 nan 0.000 0.434 337 L N -1.709 119.627 121.223 0.187 0.000 2.079 337 L HA -0.240 4.079 4.340 -0.036 0.000 0.210 337 L C 2.101 178.927 176.870 -0.073 0.000 1.081 337 L CA 1.279 56.131 54.840 0.020 0.000 0.752 337 L CB -0.519 41.453 42.059 -0.145 0.000 0.896 337 L HN 0.222 nan 8.230 nan 0.000 0.433 338 F N -0.748 119.233 119.950 0.051 0.000 2.802 338 F HA -0.037 4.468 4.527 -0.036 0.000 0.300 338 F C 1.680 177.522 175.800 0.071 0.000 1.168 338 F CA 0.545 58.554 58.000 0.017 0.000 1.433 338 F CB -0.060 38.906 39.000 -0.057 0.000 1.115 338 F HN -0.000 nan 8.300 nan 0.000 0.582 339 L N -0.186 121.205 121.223 0.280 0.000 2.728 339 L HA 0.272 4.591 4.340 -0.036 0.000 0.238 339 L C -0.134 176.953 176.870 0.362 0.000 1.143 339 L CA 0.106 55.135 54.840 0.314 0.000 0.937 339 L CB 0.073 42.370 42.059 0.397 0.000 1.225 339 L HN -0.017 nan 8.230 nan 0.000 0.507 340 L N 0.454 121.804 121.223 0.212 0.000 2.333 340 L HA 0.539 4.858 4.340 -0.036 0.000 0.269 340 L C -2.275 174.562 176.870 -0.054 0.000 1.010 340 L CA -2.028 52.863 54.840 0.085 0.000 0.818 340 L CB 1.855 43.984 42.059 0.116 0.000 1.306 340 L HN -0.223 nan 8.230 nan 0.000 0.430 341 P HA 0.281 nan 4.420 nan 0.000 0.271 341 P C -0.055 177.161 177.300 -0.140 0.000 1.218 341 P CA 0.389 63.353 63.100 -0.226 0.000 0.780 341 P CB 1.192 32.655 31.700 -0.396 0.000 0.901 342 G N 1.980 110.749 108.800 -0.052 0.000 2.371 342 G HA2 -0.111 3.827 3.960 -0.036 0.000 0.663 342 G HA3 -0.111 3.827 3.960 -0.036 0.000 0.663 342 G C -1.349 173.553 174.900 0.004 0.000 1.311 342 G CA -0.843 44.253 45.100 -0.008 0.000 0.985 342 G HN 0.540 nan 8.290 nan 0.000 0.566 343 N N 2.488 121.197 118.700 0.015 0.000 2.500 343 N HA 0.420 5.139 4.740 -0.036 0.000 0.236 343 N C -2.464 173.069 175.510 0.039 0.000 1.022 343 N CA -0.988 52.112 53.050 0.083 0.000 0.935 343 N CB 1.700 40.269 38.487 0.137 0.000 1.147 343 N HN 0.395 nan 8.380 nan 0.000 0.512 344 P HA 0.039 nan 4.420 nan 0.000 0.267 344 P C -0.537 176.782 177.300 0.031 0.000 1.209 344 P CA 0.137 63.059 63.100 -0.295 0.000 0.763 344 P CB 0.588 31.636 31.700 -1.087 0.000 0.816 345 T N 3.056 117.647 114.554 0.063 0.000 2.812 345 T HA 0.374 4.703 4.350 -0.036 0.000 0.282 345 T C -0.176 174.660 174.700 0.228 0.000 0.990 345 T CA -0.436 61.815 62.100 0.250 0.000 0.960 345 T CB 1.159 70.110 68.868 0.139 0.000 0.948 345 T HN 0.063 nan 8.240 nan 0.000 0.438 346 V N 3.774 123.908 119.914 0.366 0.000 2.495 346 V HA 0.366 4.465 4.120 -0.036 0.000 0.298 346 V C -0.825 175.307 176.094 0.063 0.000 1.031 346 V CA -1.051 61.409 62.300 0.267 0.000 0.871 346 V CB 1.386 33.494 31.823 0.474 0.000 0.988 346 V HN 0.819 nan 8.190 nan 0.000 0.432 347 Y N 6.199 126.446 120.300 -0.087 0.000 2.335 347 Y HA 0.382 4.911 4.550 -0.036 0.000 0.331 347 Y C 0.205 175.922 175.900 -0.306 0.000 1.094 347 Y CA -1.409 56.604 58.100 -0.145 0.000 1.253 347 Y CB 0.337 38.755 38.460 -0.070 0.000 1.203 347 Y HN 0.731 nan 8.280 nan 0.000 0.508 348 Y N 4.432 124.206 120.300 -0.878 0.000 2.895 348 Y HA 0.290 4.819 4.550 -0.035 0.000 0.334 348 Y C 1.058 176.719 175.900 -0.398 0.000 1.261 348 Y CA -0.116 57.590 58.100 -0.657 0.000 1.560 348 Y CB -0.131 38.150 38.460 -0.298 0.000 1.253 348 Y HN 0.939 nan 8.280 nan 0.000 0.582 349 G N 2.607 111.226 108.800 -0.302 0.000 2.268 349 G HA2 -0.321 3.618 3.960 -0.036 0.000 0.240 349 G HA3 -0.321 3.618 3.960 -0.036 0.000 0.240 349 G C 0.985 175.748 174.900 -0.228 0.000 1.010 349 G CA 0.266 45.147 45.100 -0.366 0.000 0.618 349 G HN 0.590 nan 8.290 nan 0.000 0.516 350 E N 1.002 121.105 120.200 -0.161 0.000 2.150 350 E HA -0.083 4.246 4.350 -0.036 0.000 0.193 350 E C 2.382 178.980 176.600 -0.003 0.000 0.985 350 E CA 1.323 57.697 56.400 -0.044 0.000 0.814 350 E CB -0.201 29.518 29.700 0.032 0.000 0.752 350 E HN 0.853 nan 8.360 nan 0.000 0.466 351 E N 1.234 121.454 120.200 0.033 0.000 2.347 351 E HA -0.094 4.235 4.350 -0.036 0.000 0.196 351 E C 1.651 178.221 176.600 -0.050 0.000 1.008 351 E CA 1.087 57.516 56.400 0.048 0.000 0.852 351 E CB -0.106 29.681 29.700 0.144 0.000 0.783 351 E HN 0.226 nan 8.360 nan 0.000 0.505 352 V N -3.326 116.511 119.914 -0.129 0.000 3.380 352 V HA 0.518 4.617 4.120 -0.036 0.000 0.307 352 V C 0.861 176.931 176.094 -0.041 0.000 1.434 352 V CA -0.023 62.178 62.300 -0.166 0.000 1.075 352 V CB -0.216 31.282 31.823 -0.542 0.000 0.954 352 V HN 0.360 nan 8.190 nan 0.000 0.444 356 G N -0.938 107.843 108.800 -0.032 0.000 2.386 356 G HA2 0.627 4.566 3.960 -0.036 0.000 0.302 356 G HA3 0.627 4.566 3.960 -0.036 0.000 0.302 356 G C 0.012 174.895 174.900 -0.029 0.000 1.629 356 G CA 0.411 45.492 45.100 -0.032 0.000 0.917 356 G HN 1.830 nan 8.290 nan 0.000 0.676 357 G N -0.127 108.655 108.800 -0.029 0.000 2.735 357 G HA2 0.574 4.512 3.960 -0.036 0.000 0.192 357 G HA3 0.574 4.512 3.960 -0.036 0.000 0.192 357 G C 0.540 175.419 174.900 -0.035 0.000 1.547 357 G CA 0.050 45.133 45.100 -0.028 0.000 1.080 357 G HN 1.044 nan 8.290 nan 0.000 0.569 358 K N 0.025 120.404 120.400 -0.036 0.000 2.168 358 K HA 0.273 4.571 4.320 -0.036 0.000 0.258 358 K C -0.344 176.227 176.600 -0.048 0.000 1.010 358 K CA -0.360 55.900 56.287 -0.046 0.000 0.929 358 K CB 0.847 33.321 32.500 -0.044 0.000 0.998 358 K HN 0.330 nan 8.250 nan 0.000 0.479 359 D N 2.037 122.399 120.400 -0.062 0.000 2.836 359 D HA -0.107 4.512 4.640 -0.036 0.000 0.220 359 D C -1.290 174.986 176.300 -0.041 0.000 1.094 359 D CA -0.963 53.000 54.000 -0.063 0.000 0.820 359 D CB 0.732 41.487 40.800 -0.075 0.000 1.171 359 D HN 0.498 nan 8.370 nan 0.000 0.507 360 P HA 0.021 nan 4.420 nan 0.000 0.255 360 P C 0.402 177.663 177.300 -0.066 0.000 1.248 360 P CA 0.280 63.347 63.100 -0.055 0.000 0.807 360 P CB 0.243 31.924 31.700 -0.032 0.000 1.150 361 E N 1.560 121.730 120.200 -0.050 0.000 2.209 361 E HA -0.161 4.167 4.350 -0.036 0.000 0.196 361 E C 1.324 177.893 176.600 -0.052 0.000 0.993 361 E CA 1.175 57.547 56.400 -0.047 0.000 0.819 361 E CB -0.349 29.330 29.700 -0.035 0.000 0.745 361 E HN 0.418 nan 8.360 nan 0.000 0.477 362 N N 0.627 119.297 118.700 -0.051 0.000 2.383 362 N HA -0.057 4.662 4.740 -0.036 0.000 0.192 362 N C 0.275 175.789 175.510 0.007 0.000 1.141 362 N CA 0.197 53.238 53.050 -0.016 0.000 0.851 362 N CB 0.208 38.685 38.487 -0.016 0.000 0.976 362 N HN 0.050 nan 8.380 nan 0.000 0.465 363 R N 0.244 120.689 120.500 -0.092 0.000 2.816 363 R HA 0.338 4.656 4.340 -0.036 0.000 0.382 363 R C 0.415 176.642 176.300 -0.121 0.000 1.140 363 R CA -0.382 55.612 56.100 -0.177 0.000 1.050 363 R CB 0.776 30.772 30.300 -0.507 0.000 1.396 363 R HN 0.092 nan 8.270 nan 0.000 0.583 364 G N -0.283 108.466 108.800 -0.085 0.000 2.572 364 G HA2 0.368 4.307 3.960 -0.036 0.000 0.261 364 G HA3 0.368 4.307 3.960 -0.036 0.000 0.261 364 G C 0.401 175.222 174.900 -0.132 0.000 1.197 364 G CA -0.314 44.712 45.100 -0.123 0.000 0.870 364 G HN 0.251 nan 8.290 nan 0.000 0.548 368 W N 1.058 122.490 121.300 0.219 0.000 3.127 368 W HA 0.380 5.019 4.660 -0.036 0.000 0.344 368 W C 1.045 177.500 176.519 -0.107 0.000 1.151 368 W CA -0.219 57.201 57.345 0.125 0.000 1.765 368 W CB 0.754 30.142 29.460 -0.119 0.000 1.085 368 W HN 0.651 nan 8.180 nan 0.000 0.596 369 E N 1.624 121.807 120.200 -0.028 0.000 1.932 369 E HA 0.020 4.349 4.350 -0.036 0.000 0.275 369 E C 1.168 177.311 176.600 -0.761 0.000 1.159 369 E CA 0.391 56.636 56.400 -0.259 0.000 0.905 369 E CB 0.277 29.910 29.700 -0.110 0.000 1.059 369 E HN 0.245 nan 8.360 nan 0.000 0.400 370 E N 3.263 122.813 120.200 -1.084 0.000 2.086 370 E HA -0.323 4.006 4.350 -0.036 0.000 0.200 370 E C 1.491 177.660 176.600 -0.719 0.000 1.012 370 E CA 1.548 57.044 56.400 -1.508 0.000 0.812 370 E CB -0.164 29.002 29.700 -0.890 0.000 0.743 370 E HN 0.700 nan 8.360 nan 0.000 0.453 371 A N 0.917 123.501 122.820 -0.394 0.000 2.186 371 A HA -0.184 4.115 4.320 -0.036 0.000 0.219 371 A C 1.834 179.340 177.584 -0.129 0.000 1.159 371 A CA 1.172 53.095 52.037 -0.190 0.000 0.680 371 A CB -0.319 18.604 19.000 -0.129 0.000 0.787 371 A HN 0.120 nan 8.150 nan 0.000 0.467 372 R N -2.070 118.321 120.500 -0.182 0.000 2.362 372 R HA 0.067 4.385 4.340 -0.036 0.000 0.227 372 R C -0.548 175.829 176.300 0.128 0.000 0.905 372 R CA -0.468 55.615 56.100 -0.029 0.000 1.067 372 R CB 0.236 30.530 30.300 -0.011 0.000 1.078 372 R HN 0.533 nan 8.270 nan 0.000 0.516 373 W N 1.765 123.067 121.300 0.004 0.000 2.251 373 W HA 0.176 4.815 4.660 -0.036 0.000 0.329 373 W C 0.615 177.141 176.519 0.012 0.000 1.234 373 W CA -1.401 55.947 57.345 0.005 0.000 1.228 373 W CB 0.127 29.602 29.460 0.025 0.000 1.135 373 W HN -0.089 nan 8.180 nan 0.000 0.576 374 Q N 2.673 122.617 119.800 0.240 0.000 2.381 374 Q HA 0.063 4.381 4.340 -0.036 0.000 0.243 374 Q C 0.887 176.977 176.000 0.151 0.000 1.154 374 Q CA 0.660 56.546 55.803 0.138 0.000 0.899 374 Q CB 0.339 29.122 28.738 0.075 0.000 1.396 374 Q HN 0.409 nan 8.270 nan 0.000 0.485 375 K N 2.539 123.039 120.400 0.167 0.000 2.209 375 K HA -0.178 4.120 4.320 -0.036 0.000 0.204 375 K C 0.881 177.538 176.600 0.095 0.000 1.048 375 K CA 1.352 57.735 56.287 0.161 0.000 0.940 375 K CB 0.212 32.799 32.500 0.145 0.000 0.729 375 K HN 0.630 nan 8.250 nan 0.000 0.451 376 D N 1.059 121.500 120.400 0.069 0.000 2.097 376 D HA -0.108 4.511 4.640 -0.036 0.000 0.197 376 D C 1.761 178.080 176.300 0.033 0.000 0.984 376 D CA 0.974 55.000 54.000 0.044 0.000 0.826 376 D CB 0.034 40.856 40.800 0.036 0.000 0.973 376 D HN 0.029 nan 8.370 nan 0.000 0.460 377 L N -0.024 121.219 121.223 0.034 0.000 2.012 377 L HA -0.152 4.167 4.340 -0.036 0.000 0.210 377 L C 2.798 179.678 176.870 0.016 0.000 1.073 377 L CA 1.310 56.163 54.840 0.023 0.000 0.748 377 L CB -0.438 41.634 42.059 0.021 0.000 0.891 377 L HN 0.062 nan 8.230 nan 0.000 0.431 378 R N -0.181 120.331 120.500 0.020 0.000 2.096 378 R HA -0.166 4.153 4.340 -0.036 0.000 0.235 378 R C 2.199 178.494 176.300 -0.008 0.000 1.127 378 R CA 1.225 57.325 56.100 0.000 0.000 0.968 378 R CB 0.040 30.338 30.300 -0.005 0.000 0.861 378 R HN 0.273 nan 8.270 nan 0.000 0.440 379 E N -0.308 119.897 120.200 0.009 0.000 2.150 379 E HA -0.101 4.228 4.350 -0.036 0.000 0.193 379 E C 1.880 178.452 176.600 -0.047 0.000 0.985 379 E CA 1.476 57.870 56.400 -0.010 0.000 0.814 379 E CB -0.196 29.510 29.700 0.011 0.000 0.752 379 E HN 0.370 nan 8.360 nan 0.000 0.466 380 T N 0.975 115.503 114.554 -0.043 0.000 2.737 380 T HA -0.087 4.242 4.350 -0.036 0.000 0.265 380 T C 2.167 176.769 174.700 -0.164 0.000 1.038 380 T CA 1.234 63.291 62.100 -0.071 0.000 1.144 380 T CB -0.259 68.593 68.868 -0.027 0.000 0.866 380 T HN -0.027 nan 8.240 nan 0.000 0.434 381 V N 1.642 121.467 119.914 -0.150 0.000 2.295 381 V HA -0.184 3.915 4.120 -0.036 0.000 0.246 381 V C 2.523 178.390 176.094 -0.380 0.000 1.049 381 V CA 1.725 63.854 62.300 -0.286 0.000 1.024 381 V CB -0.553 31.240 31.823 -0.049 0.000 0.648 381 V HN 0.431 nan 8.190 nan 0.000 0.447 382 K N 0.029 120.319 120.400 -0.182 0.000 2.057 382 K HA -0.256 4.042 4.320 -0.036 0.000 0.207 382 K C 2.358 178.852 176.600 -0.178 0.000 1.049 382 K CA 1.788 57.992 56.287 -0.138 0.000 0.931 382 K CB -0.092 32.361 32.500 -0.077 0.000 0.714 382 K HN 0.242 nan 8.250 nan 0.000 0.440 383 R N 0.585 120.982 120.500 -0.171 0.000 2.070 383 R HA -0.069 4.250 4.340 -0.036 0.000 0.233 383 R C 2.080 178.253 176.300 -0.212 0.000 1.137 383 R CA 1.400 57.410 56.100 -0.149 0.000 0.945 383 R CB -0.559 29.677 30.300 -0.107 0.000 0.845 383 R HN 0.160 nan 8.270 nan 0.000 0.430 384 L N 0.252 121.271 121.223 -0.339 0.000 2.217 384 L HA 0.103 4.422 4.340 -0.036 0.000 0.211 384 L C 2.240 178.773 176.870 -0.561 0.000 1.107 384 L CA 1.605 56.202 54.840 -0.405 0.000 0.783 384 L CB -0.587 41.220 42.059 -0.420 0.000 0.919 384 L HN 0.332 nan 8.230 nan 0.000 0.442 385 A N -0.407 121.940 122.820 -0.788 0.000 1.929 385 A HA -0.203 4.096 4.320 -0.036 0.000 0.216 385 A C 2.461 179.969 177.584 -0.126 0.000 1.176 385 A CA 1.555 53.275 52.037 -0.528 0.000 0.628 385 A CB -0.439 18.306 19.000 -0.425 0.000 0.816 385 A HN 0.355 nan 8.150 nan 0.000 0.444 386 R N -0.903 119.523 120.500 -0.123 0.000 2.115 386 R HA -0.004 4.314 4.340 -0.036 0.000 0.226 386 R C 1.859 178.142 176.300 -0.028 0.000 1.100 386 R CA 1.167 57.239 56.100 -0.047 0.000 0.980 386 R CB -0.415 29.855 30.300 -0.050 0.000 0.875 386 R HN 0.389 nan 8.270 nan 0.000 0.445 387 L N 0.901 122.102 121.223 -0.037 0.000 2.056 387 L HA -0.074 4.245 4.340 -0.036 0.000 0.207 387 L C 2.487 179.406 176.870 0.082 0.000 1.078 387 L CA 1.768 56.632 54.840 0.041 0.000 0.749 387 L CB -0.427 41.623 42.059 -0.014 0.000 0.901 387 L HN 0.149 nan 8.230 nan 0.000 0.433 388 R N -0.535 120.000 120.500 0.059 0.000 2.092 388 R HA -0.227 4.091 4.340 -0.036 0.000 0.231 388 R C 2.312 178.668 176.300 0.093 0.000 1.119 388 R CA 1.645 57.810 56.100 0.109 0.000 0.970 388 R CB -0.101 30.321 30.300 0.204 0.000 0.864 388 R HN 0.220 nan 8.270 nan 0.000 0.440 389 K N 0.954 121.395 120.400 0.068 0.000 2.148 389 K HA -0.113 4.185 4.320 -0.036 0.000 0.204 389 K C 1.230 177.821 176.600 -0.015 0.000 1.050 389 K CA 1.756 58.071 56.287 0.048 0.000 0.942 389 K CB 0.181 32.711 32.500 0.049 0.000 0.724 389 K HN 0.315 nan 8.250 nan 0.000 0.446 390 E N -0.967 119.181 120.200 -0.086 0.000 2.447 390 E HA -0.013 4.316 4.350 -0.036 0.000 0.195 390 E C -0.172 176.145 176.600 -0.471 0.000 1.028 390 E CA 0.227 56.472 56.400 -0.258 0.000 0.876 390 E CB 0.266 29.771 29.700 -0.324 0.000 0.885 390 E HN 0.342 nan 8.360 nan 0.000 0.500 391 H N 0.780 119.861 119.070 0.018 0.000 2.348 391 H HA 0.127 4.662 4.556 -0.034 0.000 0.232 391 H C -1.824 173.551 175.328 0.079 0.000 1.419 391 H CA -1.909 54.165 56.048 0.043 0.000 1.416 391 H CB 0.808 30.477 29.762 -0.154 0.000 1.510 391 H HN 0.058 nan 8.280 nan 0.000 0.507 392 P HA -0.205 nan 4.420 nan 0.000 0.219 392 P C 1.433 178.835 177.300 0.169 0.000 1.144 392 P CA 1.187 64.367 63.100 0.133 0.000 0.806 392 P CB 0.279 32.036 31.700 0.096 0.000 0.771 393 A N -0.057 122.924 122.820 0.267 0.000 2.019 393 A HA -0.117 4.182 4.320 -0.036 0.000 0.219 393 A C 2.367 180.103 177.584 0.253 0.000 1.164 393 A CA 0.991 53.198 52.037 0.283 0.000 0.644 393 A CB -1.484 17.769 19.000 0.422 0.000 0.805 393 A HN 0.174 nan 8.150 nan 0.000 0.449 394 L N -0.682 120.673 121.223 0.220 0.000 2.265 394 L HA -0.193 4.126 4.340 -0.036 0.000 0.215 394 L C 2.644 179.584 176.870 0.117 0.000 1.117 394 L CA 1.697 56.627 54.840 0.151 0.000 0.782 394 L CB -0.296 41.812 42.059 0.081 0.000 0.914 394 L HN 0.612 nan 8.230 nan 0.000 0.441 395 R N -1.663 118.897 120.500 0.101 0.000 2.308 395 R HA 0.063 4.382 4.340 -0.036 0.000 0.202 395 R C 1.703 178.026 176.300 0.038 0.000 0.898 395 R CA 0.923 57.059 56.100 0.060 0.000 1.046 395 R CB -0.314 30.024 30.300 0.063 0.000 1.026 395 R HN 0.219 nan 8.270 nan 0.000 0.512 396 T N -2.357 112.233 114.554 0.060 0.000 3.018 396 T HA 0.400 4.728 4.350 -0.036 0.000 0.246 396 T C 1.138 175.865 174.700 0.045 0.000 1.026 396 T CA 0.126 62.252 62.100 0.043 0.000 1.081 396 T CB 0.125 69.023 68.868 0.050 0.000 0.970 396 T HN 0.257 nan 8.240 nan 0.000 0.475 397 A N 3.152 126.018 122.820 0.075 0.000 2.386 397 A HA 0.592 4.891 4.320 -0.036 0.000 0.246 397 A C -2.189 175.428 177.584 0.054 0.000 1.089 397 A CA -1.039 51.044 52.037 0.076 0.000 0.790 397 A CB -0.439 18.632 19.000 0.119 0.000 1.042 397 A HN 0.324 nan 8.150 nan 0.000 0.497 398 P HA 0.329 nan 4.420 nan 0.000 0.279 398 P C -1.226 176.147 177.300 0.121 0.000 1.282 398 P CA -0.004 63.136 63.100 0.067 0.000 0.788 398 P CB 0.274 32.014 31.700 0.067 0.000 1.139 399 Y N 0.409 120.715 120.300 0.010 0.000 2.328 399 Y HA 0.615 5.145 4.550 -0.033 0.000 0.336 399 Y C -1.461 174.506 175.900 0.112 0.000 0.960 399 Y CA -0.699 57.442 58.100 0.069 0.000 1.134 399 Y CB 0.747 39.227 38.460 0.035 0.000 1.166 399 Y HN 0.153 nan 8.280 nan 0.000 0.464 400 L N 8.078 129.089 121.223 -0.353 0.000 2.404 400 L HA 0.522 4.841 4.340 -0.036 0.000 0.272 400 L C -0.664 176.002 176.870 -0.340 0.000 0.980 400 L CA -0.885 53.811 54.840 -0.239 0.000 0.836 400 L CB 1.063 43.079 42.059 -0.070 0.000 1.238 400 L HN 0.736 nan 8.230 nan 0.000 0.408 401 R N 4.017 124.351 120.500 -0.275 0.000 2.537 401 R HA 0.145 4.464 4.340 -0.036 0.000 0.280 401 R C -0.071 176.233 176.300 0.006 0.000 1.058 401 R CA -0.014 56.011 56.100 -0.125 0.000 1.057 401 R CB 0.794 31.076 30.300 -0.030 0.000 0.973 401 R HN 0.696 nan 8.270 nan 0.000 0.438 402 I N 3.428 124.033 120.570 0.057 0.000 3.971 402 I HA 0.113 4.261 4.170 -0.036 0.000 0.303 402 I C -0.171 176.029 176.117 0.139 0.000 1.233 402 I CA 0.276 61.650 61.300 0.123 0.000 1.346 402 I CB -0.371 37.678 38.000 0.082 0.000 1.273 402 I HN 0.542 nan 8.210 nan 0.000 0.448 403 Y N 1.201 121.432 120.300 -0.115 0.000 2.479 403 Y HA 0.696 5.227 4.550 -0.032 0.000 0.338 403 Y C -1.382 174.452 175.900 -0.110 0.000 1.055 403 Y CA -1.109 56.884 58.100 -0.178 0.000 1.023 403 Y CB 1.738 39.869 38.460 -0.548 0.000 1.287 403 Y HN 0.006 nan 8.280 nan 0.000 0.447 404 A N 5.713 128.148 122.820 -0.643 0.000 2.429 404 A HA 0.712 5.011 4.320 -0.036 0.000 0.289 404 A C -1.842 175.430 177.584 -0.520 0.000 1.043 404 A CA -0.469 51.325 52.037 -0.406 0.000 0.722 404 A CB 1.860 20.719 19.000 -0.236 0.000 1.243 404 A HN 0.560 nan 8.150 nan 0.000 0.415 405 Q N 2.340 121.950 119.800 -0.316 0.000 2.518 405 Q HA 0.335 4.654 4.340 -0.036 0.000 0.254 405 Q C -0.341 175.587 176.000 -0.119 0.000 0.962 405 Q CA 0.660 56.346 55.803 -0.195 0.000 0.982 405 Q CB 1.642 30.266 28.738 -0.190 0.000 1.516 405 Q HN 1.216 nan 8.270 nan 0.000 0.426 406 D N 2.637 122.974 120.400 -0.106 0.000 3.845 406 D HA -0.266 4.353 4.640 -0.036 0.000 0.144 406 D C 0.264 176.494 176.300 -0.117 0.000 0.889 406 D CA 2.880 56.784 54.000 -0.160 0.000 1.096 406 D CB -1.343 39.259 40.800 -0.329 0.000 0.515 406 D HN 0.797 nan 8.370 nan 0.000 0.525 407 G N -1.028 107.572 108.800 -0.334 0.000 3.936 407 G HA2 0.384 4.323 3.960 -0.036 0.000 0.296 407 G HA3 0.384 4.323 3.960 -0.036 0.000 0.296 407 G C -0.745 174.078 174.900 -0.128 0.000 1.121 407 G CA -0.081 44.892 45.100 -0.212 0.000 0.899 407 G HN 0.548 nan 8.290 nan 0.000 0.542 408 H N -0.270 118.761 119.070 -0.064 0.000 2.539 408 H HA 0.573 5.109 4.556 -0.034 0.000 0.332 408 H C -1.228 174.098 175.328 -0.005 0.000 1.031 408 H CA -0.848 55.015 56.048 -0.308 0.000 1.206 408 H CB 2.675 31.910 29.762 -0.877 0.000 1.446 408 H HN 0.187 nan 8.280 nan 0.000 0.496 409 L N 2.797 124.164 121.223 0.240 0.000 2.422 409 L HA 0.806 5.124 4.340 -0.036 0.000 0.264 409 L C -1.412 175.606 176.870 0.247 0.000 0.984 409 L CA -0.525 54.477 54.840 0.270 0.000 0.819 409 L CB 1.881 44.159 42.059 0.365 0.000 1.330 409 L HN 0.731 nan 8.230 nan 0.000 0.410 410 A N 4.084 127.010 122.820 0.176 0.000 2.402 410 A HA 0.792 5.091 4.320 -0.036 0.000 0.291 410 A C -1.453 176.221 177.584 0.150 0.000 1.051 410 A CA -0.357 51.722 52.037 0.069 0.000 0.716 410 A CB 0.691 19.539 19.000 -0.253 0.000 1.223 410 A HN 0.768 nan 8.150 nan 0.000 0.425 411 F N 0.340 120.309 119.950 0.031 0.000 2.613 411 F HA 0.925 5.433 4.527 -0.032 0.000 0.314 411 F C -0.034 175.728 175.800 -0.064 0.000 1.075 411 F CA -1.178 56.742 58.000 -0.135 0.000 0.945 411 F CB 1.500 40.291 39.000 -0.347 0.000 1.310 411 F HN 0.731 nan 8.300 nan 0.000 0.467 412 A N 1.905 124.728 122.820 0.005 0.000 2.325 412 A HA 0.890 5.189 4.320 -0.036 0.000 0.333 412 A C -0.614 177.039 177.584 0.115 0.000 1.155 412 A CA -0.980 51.056 52.037 -0.002 0.000 0.814 412 A CB 1.051 20.014 19.000 -0.062 0.000 1.206 412 A HN 0.704 nan 8.150 nan 0.000 0.482 413 R N 1.608 122.205 120.500 0.163 0.000 2.513 413 R HA 0.462 4.780 4.340 -0.036 0.000 0.283 413 R C 0.836 177.247 176.300 0.185 0.000 1.535 413 R CA 0.317 56.552 56.100 0.225 0.000 1.315 413 R CB 0.262 30.754 30.300 0.321 0.000 1.163 413 R HN 1.686 nan 8.270 nan 0.000 0.573 414 G N 4.586 113.437 108.800 0.085 0.000 2.596 414 G HA2 -0.331 3.608 3.960 -0.036 0.000 0.304 414 G HA3 -0.331 3.608 3.960 -0.036 0.000 0.304 414 G C -1.257 173.603 174.900 -0.067 0.000 1.189 414 G CA 0.182 45.293 45.100 0.018 0.000 0.986 414 G HN 0.431 nan 8.290 nan 0.000 0.548 415 P HA 0.169 nan 4.420 nan 0.000 0.245 415 P C -0.300 176.810 177.300 -0.317 0.000 1.212 415 P CA 0.853 63.764 63.100 -0.314 0.000 0.774 415 P CB -0.003 31.408 31.700 -0.481 0.000 0.999 416 Y N 0.214 120.589 120.300 0.125 0.000 2.420 416 Y HA 0.500 5.028 4.550 -0.036 0.000 0.334 416 Y C 0.384 176.322 175.900 0.063 0.000 1.094 416 Y CA -1.495 56.684 58.100 0.133 0.000 1.126 416 Y CB 1.109 39.607 38.460 0.063 0.000 1.217 416 Y HN -0.289 nan 8.280 nan 0.000 0.462 417 L N 2.779 124.185 121.223 0.306 0.000 2.342 417 L HA 0.845 5.164 4.340 -0.036 0.000 0.276 417 L C -0.643 176.314 176.870 0.145 0.000 0.997 417 L CA -0.819 54.099 54.840 0.131 0.000 0.838 417 L CB 0.575 42.700 42.059 0.111 0.000 1.224 417 L HN 0.691 nan 8.230 nan 0.000 0.416 418 A N 4.850 127.547 122.820 -0.206 0.000 2.309 418 A HA 0.763 5.061 4.320 -0.036 0.000 0.298 418 A C -0.908 176.572 177.584 -0.173 0.000 1.165 418 A CA -0.452 51.387 52.037 -0.331 0.000 0.821 418 A CB 0.961 19.366 19.000 -0.991 0.000 1.102 418 A HN 0.554 nan 8.150 nan 0.000 0.500 419 V N 3.521 123.502 119.914 0.112 0.000 2.483 419 V HA 0.394 4.493 4.120 -0.036 0.000 0.297 419 V C -0.514 175.744 176.094 0.273 0.000 1.027 419 V CA -0.486 61.974 62.300 0.267 0.000 0.855 419 V CB 1.546 33.669 31.823 0.500 0.000 0.995 419 V HN 0.646 nan 8.190 nan 0.000 0.424 420 V N 3.858 123.953 119.914 0.302 0.000 2.417 420 V HA 0.447 4.546 4.120 -0.036 0.000 0.291 420 V C -0.024 176.213 176.094 0.238 0.000 1.024 420 V CA -0.613 61.876 62.300 0.314 0.000 0.861 420 V CB 1.799 33.898 31.823 0.462 0.000 0.985 420 V HN 0.874 nan 8.190 nan 0.000 0.436 421 N N 3.959 122.765 118.700 0.176 0.000 2.955 421 N HA 0.395 5.114 4.740 -0.036 0.000 0.242 421 N C 0.109 175.586 175.510 -0.055 0.000 1.123 421 N CA -0.312 52.789 53.050 0.085 0.000 0.949 421 N CB 1.202 39.759 38.487 0.117 0.000 1.214 421 N HN 0.786 nan 8.380 nan 0.000 0.504 422 A N 2.092 124.830 122.820 -0.136 0.000 3.202 422 A HA 0.452 4.750 4.320 -0.036 0.000 0.258 422 A C -0.069 177.255 177.584 -0.435 0.000 1.572 422 A CA -0.307 51.558 52.037 -0.287 0.000 1.241 422 A CB -0.857 17.737 19.000 -0.676 0.000 1.127 422 A HN 0.598 nan 8.150 nan 0.000 0.648 423 S N -1.491 113.777 115.700 -0.720 0.000 2.607 423 S HA 0.662 5.111 4.470 -0.036 0.000 0.273 423 S C -2.878 171.061 174.600 -1.101 0.000 1.148 423 S CA -1.110 56.672 58.200 -0.698 0.000 0.833 423 S CB 1.534 64.514 63.200 -0.367 0.000 1.130 423 S HN -0.028 nan 8.310 nan 0.000 0.470 424 P HA 0.102 nan 4.420 nan 0.000 0.226 424 P C -0.236 176.763 177.300 -0.502 0.000 1.153 424 P CA 1.030 63.761 63.100 -0.615 0.000 0.777 424 P CB -0.105 31.288 31.700 -0.513 0.000 0.794 425 H N -1.564 117.443 119.070 -0.105 0.000 2.499 425 H HA 0.381 4.916 4.556 -0.036 0.000 0.340 425 H C -2.261 173.094 175.328 0.044 0.000 1.148 425 H CA -3.181 52.867 56.048 -0.001 0.000 1.215 425 H CB -0.176 29.614 29.762 0.048 0.000 1.529 425 H HN -0.149 nan 8.280 nan 0.000 0.510 426 P HA -0.055 nan 4.420 nan 0.000 0.269 426 P C -0.630 176.790 177.300 0.201 0.000 1.211 426 P CA 0.309 63.492 63.100 0.140 0.000 0.781 426 P CB 0.338 32.096 31.700 0.097 0.000 0.877 427 F N 2.373 122.280 119.950 -0.071 0.000 2.553 427 F HA 0.349 4.858 4.527 -0.030 0.000 0.335 427 F C -0.057 175.677 175.800 -0.110 0.000 1.148 427 F CA -1.378 56.491 58.000 -0.218 0.000 0.963 427 F CB 0.999 39.706 39.000 -0.489 0.000 1.217 427 F HN 0.170 nan 8.300 nan 0.000 0.441 428 R N 4.598 124.802 120.500 -0.494 0.000 2.347 428 R HA 0.260 4.579 4.340 -0.036 0.000 0.304 428 R C -0.836 174.950 176.300 -0.856 0.000 1.072 428 R CA -0.399 55.408 56.100 -0.488 0.000 0.980 428 R CB 0.334 30.467 30.300 -0.278 0.000 0.986 428 R HN 0.680 nan 8.270 nan 0.000 0.448 429 Q N 2.879 122.316 119.800 -0.605 0.000 2.844 429 Q HA 0.037 4.355 4.340 -0.036 0.000 0.235 429 Q C -0.757 174.795 176.000 -0.747 0.000 1.336 429 Q CA -0.085 55.342 55.803 -0.627 0.000 1.026 429 Q CB 0.388 28.940 28.738 -0.309 0.000 1.513 429 Q HN 0.761 nan 8.270 nan 0.000 0.577 430 D N -0.836 119.130 120.400 -0.722 0.000 2.582 430 D HA 0.040 4.659 4.640 -0.036 0.000 0.246 430 D C -0.163 175.826 176.300 -0.519 0.000 1.334 430 D CA -0.546 53.107 54.000 -0.579 0.000 0.805 430 D CB -0.140 40.455 40.800 -0.343 0.000 1.087 430 D HN 0.256 nan 8.370 nan 0.000 0.499 431 F N -0.140 119.572 119.950 -0.396 0.000 2.485 431 F HA 0.502 5.015 4.527 -0.023 0.000 0.327 431 F C -2.069 173.584 175.800 -0.245 0.000 1.203 431 F CA -2.692 55.100 58.000 -0.346 0.000 1.295 431 F CB -0.608 38.015 39.000 -0.628 0.000 1.191 431 F HN -0.268 nan 8.300 nan 0.000 0.588 432 P HA 0.090 nan 4.420 nan 0.000 0.271 432 P C 0.324 177.533 177.300 -0.151 0.000 1.220 432 P CA -0.094 62.937 63.100 -0.115 0.000 0.768 432 P CB 1.256 32.894 31.700 -0.103 0.000 0.848 433 L N 2.193 123.344 121.223 -0.120 0.000 2.551 433 L HA -0.044 4.275 4.340 -0.036 0.000 0.228 433 L C 0.849 177.720 176.870 0.001 0.000 1.153 433 L CA 0.375 55.166 54.840 -0.082 0.000 0.851 433 L CB -1.345 40.650 42.059 -0.106 0.000 0.959 433 L HN 0.630 nan 8.230 nan 0.000 0.451 434 H N -0.384 118.701 119.070 0.026 0.000 2.690 434 H HA -0.223 4.312 4.556 -0.035 0.000 0.309 434 H C 1.424 176.740 175.328 -0.019 0.000 1.138 434 H CA -0.081 55.977 56.048 0.015 0.000 1.142 434 H CB -1.227 28.555 29.762 0.033 0.000 1.410 434 H HN 0.610 nan 8.280 nan 0.000 0.409 435 G N -1.511 107.335 108.800 0.076 0.000 2.179 435 G HA2 -0.375 3.564 3.960 -0.036 0.000 0.260 435 G HA3 -0.375 3.564 3.960 -0.036 0.000 0.260 435 G C 1.101 175.976 174.900 -0.041 0.000 0.977 435 G CA 0.382 45.495 45.100 0.022 0.000 0.641 435 G HN 0.399 nan 8.290 nan 0.000 0.533 436 V N -0.589 119.243 119.914 -0.136 0.000 2.392 436 V HA -0.003 4.095 4.120 -0.036 0.000 0.249 436 V C 1.299 177.161 176.094 -0.387 0.000 1.059 436 V CA 2.031 64.123 62.300 -0.346 0.000 1.051 436 V CB -0.417 31.035 31.823 -0.619 0.000 0.658 436 V HN 0.367 nan 8.190 nan 0.000 0.455 437 F N -0.283 119.658 119.950 -0.015 0.000 2.371 437 F HA 0.407 4.914 4.527 -0.033 0.000 0.343 437 F C -1.359 174.426 175.800 -0.025 0.000 1.150 437 F CA -3.201 54.782 58.000 -0.028 0.000 1.220 437 F CB 0.181 39.152 39.000 -0.048 0.000 1.475 437 F HN 0.076 nan 8.300 nan 0.000 0.521 438 P HA -0.277 nan 4.420 nan 0.000 0.215 438 P C 2.107 179.446 177.300 0.065 0.000 1.163 438 P CA 2.592 65.736 63.100 0.074 0.000 0.894 438 P CB 0.225 31.955 31.700 0.050 0.000 0.791 439 R N -0.276 120.264 120.500 0.067 0.000 2.185 439 R HA -0.048 4.271 4.340 -0.036 0.000 0.247 439 R C 1.813 178.125 176.300 0.021 0.000 1.159 439 R CA 1.816 57.936 56.100 0.034 0.000 0.988 439 R CB -2.189 28.124 30.300 0.021 0.000 0.871 439 R HN 0.390 nan 8.270 nan 0.000 0.458 440 G N -1.141 107.684 108.800 0.041 0.000 2.356 440 G HA2 0.034 3.973 3.960 -0.036 0.000 0.296 440 G HA3 0.034 3.973 3.960 -0.036 0.000 0.296 440 G C 0.619 175.503 174.900 -0.027 0.000 1.022 440 G CA 0.963 46.073 45.100 0.016 0.000 0.961 440 G HN 1.485 nan 8.290 nan 0.000 0.510 441 G N -1.459 107.307 108.800 -0.056 0.000 3.209 441 G HA2 0.697 4.635 3.960 -0.036 0.000 0.236 441 G HA3 0.697 4.635 3.960 -0.036 0.000 0.236 441 G C 0.142 174.972 174.900 -0.116 0.000 1.329 441 G CA -0.416 44.641 45.100 -0.072 0.000 1.015 441 G HN 0.612 nan 8.290 nan 0.000 0.571 442 R N -0.165 120.279 120.500 -0.093 0.000 2.523 442 R HA 0.355 4.674 4.340 -0.036 0.000 0.281 442 R C -0.210 176.007 176.300 -0.138 0.000 0.969 442 R CA 0.639 56.684 56.100 -0.092 0.000 1.093 442 R CB -0.084 30.183 30.300 -0.055 0.000 0.917 442 R HN 0.597 nan 8.270 nan 0.000 0.408 443 A N 3.975 126.721 122.820 -0.123 0.000 2.413 443 A HA 0.617 4.916 4.320 -0.036 0.000 0.307 443 A C -1.424 176.243 177.584 0.137 0.000 1.087 443 A CA -0.712 51.251 52.037 -0.123 0.000 0.750 443 A CB 2.228 21.027 19.000 -0.335 0.000 1.296 443 A HN 0.557 nan 8.150 nan 0.000 0.423 444 V N 1.008 121.022 119.914 0.167 0.000 2.789 444 V HA 0.543 4.641 4.120 -0.036 0.000 0.311 444 V C -1.467 174.538 176.094 -0.149 0.000 1.073 444 V CA -0.578 61.769 62.300 0.079 0.000 0.921 444 V CB 1.984 33.798 31.823 -0.015 0.000 1.009 444 V HN 0.980 nan 8.190 nan 0.000 0.426 445 D N 5.068 125.052 120.400 -0.693 0.000 2.393 445 D HA 0.222 4.841 4.640 -0.036 0.000 0.232 445 D C 1.226 177.231 176.300 -0.492 0.000 1.192 445 D CA 0.051 53.401 54.000 -1.083 0.000 0.882 445 D CB 0.835 40.709 40.800 -1.543 0.000 1.038 445 D HN 0.555 nan 8.370 nan 0.000 0.499 446 L N 3.054 124.081 121.223 -0.327 0.000 2.270 446 L HA -0.214 4.105 4.340 -0.036 0.000 0.217 446 L C 2.116 178.878 176.870 -0.181 0.000 1.107 446 L CA 0.844 55.562 54.840 -0.202 0.000 0.772 446 L CB -0.214 41.717 42.059 -0.213 0.000 0.902 446 L HN 0.520 nan 8.230 nan 0.000 0.439 447 L N -1.227 119.860 121.223 -0.228 0.000 2.102 447 L HA -0.091 4.228 4.340 -0.036 0.000 0.202 447 L C 2.628 179.410 176.870 -0.147 0.000 1.076 447 L CA 1.400 56.142 54.840 -0.163 0.000 0.761 447 L CB -0.231 41.739 42.059 -0.148 0.000 0.921 447 L HN 0.337 nan 8.230 nan 0.000 0.444 448 S N -1.644 113.938 115.700 -0.198 0.000 2.503 448 S HA 0.194 4.643 4.470 -0.036 0.000 0.215 448 S C 1.536 176.055 174.600 -0.135 0.000 1.003 448 S CA 0.467 58.579 58.200 -0.147 0.000 0.910 448 S CB 0.946 64.059 63.200 -0.145 0.000 0.790 448 S HN 0.487 nan 8.310 nan 0.000 0.514 449 G N 0.603 109.297 108.800 -0.176 0.000 2.195 449 G HA2 -0.258 3.681 3.960 -0.036 0.000 0.246 449 G HA3 -0.258 3.681 3.960 -0.036 0.000 0.246 449 G C -0.099 174.728 174.900 -0.121 0.000 0.984 449 G CA 0.186 45.211 45.100 -0.125 0.000 0.633 449 G HN 0.604 nan 8.290 nan 0.000 0.525 450 E N 0.109 120.211 120.200 -0.163 0.000 2.481 450 E HA 0.432 4.761 4.350 -0.036 0.000 0.263 450 E C 0.376 176.961 176.600 -0.025 0.000 0.992 450 E CA 0.527 56.875 56.400 -0.087 0.000 0.938 450 E CB 0.878 30.524 29.700 -0.089 0.000 0.933 450 E HN 0.513 nan 8.360 nan 0.000 0.453 451 V N 3.250 123.213 119.914 0.083 0.000 2.876 451 V HA 0.657 4.756 4.120 -0.036 0.000 0.312 451 V C -0.453 175.724 176.094 0.140 0.000 1.085 451 V CA -0.684 61.693 62.300 0.128 0.000 0.945 451 V CB 1.443 33.292 31.823 0.044 0.000 1.017 451 V HN 1.024 nan 8.190 nan 0.000 0.428 452 c N 0.658 119.327 118.600 0.116 0.000 3.292 452 c HA 0.766 5.315 4.570 -0.036 0.000 0.338 452 c C -0.586 173.465 174.090 -0.064 0.000 1.323 452 c CA -0.477 55.856 56.329 0.008 0.000 1.232 452 c CB 1.266 43.760 42.510 -0.028 0.000 1.517 452 c HN 0.830 nan 8.230 nan 0.000 0.470 453 T N 3.353 117.853 114.554 -0.090 0.000 2.791 453 T HA 0.645 4.974 4.350 -0.036 0.000 0.288 453 T C -2.685 171.938 174.700 -0.128 0.000 0.999 453 T CA -0.294 61.744 62.100 -0.104 0.000 0.952 453 T CB 1.271 70.096 68.868 -0.073 0.000 0.938 453 T HN 0.734 nan 8.240 nan 0.000 0.444 454 P HA 0.393 nan 4.420 nan 0.000 0.272 454 P C -0.792 176.448 177.300 -0.099 0.000 1.230 454 P CA -0.438 62.574 63.100 -0.147 0.000 0.788 454 P CB 0.504 32.129 31.700 -0.125 0.000 0.949 455 Q N -0.125 119.616 119.800 -0.099 0.000 2.426 455 Q HA 0.538 4.857 4.340 -0.036 0.000 0.278 455 Q C 0.192 176.151 176.000 -0.069 0.000 1.007 455 Q CA -0.355 55.406 55.803 -0.070 0.000 0.850 455 Q CB 0.895 29.595 28.738 -0.065 0.000 1.427 455 Q HN 0.586 nan 8.270 nan 0.000 0.391 456 G N 0.399 109.171 108.800 -0.046 0.000 2.155 456 G HA2 0.040 3.979 3.960 -0.036 0.000 0.257 456 G HA3 0.040 3.979 3.960 -0.036 0.000 0.257 456 G C 0.932 175.810 174.900 -0.035 0.000 0.983 456 G CA 0.766 45.843 45.100 -0.037 0.000 0.676 456 G HN 2.230 nan 8.290 nan 0.000 0.528 457 G N -1.560 107.217 108.800 -0.038 0.000 2.143 457 G HA2 -0.255 3.683 3.960 -0.036 0.000 0.248 457 G HA3 -0.255 3.683 3.960 -0.036 0.000 0.248 457 G C 0.257 175.111 174.900 -0.077 0.000 0.991 457 G CA 1.143 46.224 45.100 -0.031 0.000 0.689 457 G HN 1.039 nan 8.290 nan 0.000 0.522 458 R N -0.965 119.459 120.500 -0.127 0.000 2.711 458 R HA 0.656 4.974 4.340 -0.036 0.000 0.284 458 R C 0.226 176.332 176.300 -0.323 0.000 0.968 458 R CA -1.093 54.872 56.100 -0.224 0.000 0.924 458 R CB 1.566 31.744 30.300 -0.204 0.000 1.162 458 R HN 0.158 nan 8.270 nan 0.000 0.465 459 L N 1.933 122.831 121.223 -0.542 0.000 2.482 459 L HA 0.031 4.349 4.340 -0.036 0.000 0.273 459 L C 0.487 177.019 176.870 -0.563 0.000 1.228 459 L CA 0.333 54.773 54.840 -0.666 0.000 0.827 459 L CB 0.782 42.174 42.059 -1.112 0.000 1.099 459 L HN 0.979 nan 8.230 nan 0.000 0.494 460 c N 0.527 118.795 118.600 -0.554 0.000 3.386 460 c HA 0.641 5.189 4.570 -0.036 0.000 0.279 460 c C 0.842 174.735 174.090 -0.329 0.000 1.508 460 c CA -0.404 55.696 56.329 -0.382 0.000 1.801 460 c CB -1.105 41.243 42.510 -0.269 0.000 2.798 460 c HN 0.859 nan 8.230 nan 0.000 0.605 461 G N 2.458 110.991 108.800 -0.444 0.000 2.634 461 G HA2 0.536 4.474 3.960 -0.036 0.000 0.255 461 G HA3 0.536 4.474 3.960 -0.036 0.000 0.255 461 G C -1.882 172.991 174.900 -0.046 0.000 1.205 461 G CA -0.493 44.548 45.100 -0.099 0.000 0.884 461 G HN 0.370 nan 8.290 nan 0.000 0.549 462 P HA 0.202 nan 4.420 nan 0.000 0.286 462 P C 0.467 177.760 177.300 -0.013 0.000 1.293 462 P CA -0.275 62.830 63.100 0.007 0.000 0.770 462 P CB 0.457 32.180 31.700 0.039 0.000 1.206 463 V N -2.172 117.728 119.914 -0.024 0.000 2.740 463 V HA 0.132 4.230 4.120 -0.036 0.000 0.303 463 V C 0.377 176.489 176.094 0.029 0.000 1.054 463 V CA -0.408 61.874 62.300 -0.030 0.000 1.106 463 V CB -0.423 31.393 31.823 -0.010 0.000 0.957 463 V HN 0.361 nan 8.190 nan 0.000 0.486 464 L N 7.133 128.388 121.223 0.054 0.000 2.260 464 L HA 0.493 4.812 4.340 -0.036 0.000 0.289 464 L C -1.910 175.025 176.870 0.109 0.000 1.057 464 L CA -2.064 52.850 54.840 0.125 0.000 0.811 464 L CB 1.898 44.099 42.059 0.237 0.000 1.184 464 L HN 0.639 nan 8.230 nan 0.000 0.429 465 P HA 0.123 nan 4.420 nan 0.000 0.270 465 P C -2.621 174.705 177.300 0.043 0.000 1.223 465 P CA -1.304 61.834 63.100 0.064 0.000 0.785 465 P CB -0.361 31.376 31.700 0.060 0.000 0.923 466 P HA -0.063 nan 4.420 nan 0.000 0.261 466 P C -0.290 176.970 177.300 -0.068 0.000 1.173 466 P CA 0.747 63.747 63.100 -0.167 0.000 0.760 466 P CB -0.517 31.113 31.700 -0.117 0.000 0.783 467 F N -0.096 119.864 119.950 0.018 0.000 3.004 467 F HA -0.236 4.270 4.527 -0.034 0.000 0.264 467 F C 0.418 176.237 175.800 0.031 0.000 0.979 467 F CA 0.811 58.811 58.000 0.000 0.000 0.896 467 F CB -2.550 36.435 39.000 -0.025 0.000 0.813 467 F HN 0.115 nan 8.300 nan 0.000 0.804 468 S N -0.180 115.604 115.700 0.142 0.000 2.638 468 S HA 0.893 5.342 4.470 -0.036 0.000 0.302 468 S C -0.668 174.015 174.600 0.139 0.000 1.096 468 S CA -0.895 57.382 58.200 0.129 0.000 0.953 468 S CB 2.733 65.994 63.200 0.102 0.000 1.107 468 S HN 0.196 nan 8.310 nan 0.000 0.503 469 L N 1.213 122.505 121.223 0.115 0.000 2.354 469 L HA 0.929 5.248 4.340 -0.036 0.000 0.264 469 L C -0.803 176.107 176.870 0.066 0.000 1.008 469 L CA -0.306 54.606 54.840 0.120 0.000 0.819 469 L CB 1.683 43.810 42.059 0.114 0.000 1.339 469 L HN 0.870 nan 8.230 nan 0.000 0.420 470 A N 3.140 126.002 122.820 0.071 0.000 2.515 470 A HA 0.805 5.103 4.320 -0.036 0.000 0.298 470 A C -2.092 175.457 177.584 -0.059 0.000 1.059 470 A CA -0.419 51.590 52.037 -0.047 0.000 0.698 470 A CB 1.644 20.678 19.000 0.056 0.000 1.289 470 A HN 0.604 nan 8.150 nan 0.000 0.404 471 L N 1.619 122.702 121.223 -0.234 0.000 2.485 471 L HA 0.640 4.959 4.340 -0.036 0.000 0.260 471 L C -1.724 175.075 176.870 -0.120 0.000 0.998 471 L CA -0.196 54.579 54.840 -0.108 0.000 0.883 471 L CB 0.333 42.303 42.059 -0.147 0.000 1.196 471 L HN 0.736 nan 8.230 nan 0.000 0.443 472 W N 4.735 126.114 121.300 0.132 0.000 2.303 472 W HA 0.739 5.382 4.660 -0.029 0.000 0.334 472 W C 0.242 176.932 176.519 0.284 0.000 1.197 472 W CA -0.305 57.141 57.345 0.169 0.000 1.262 472 W CB 0.861 30.458 29.460 0.228 0.000 1.153 472 W HN 0.501 nan 8.180 nan 0.000 0.596 473 R N 0.090 120.791 120.500 0.336 0.000 2.604 473 R HA 0.372 4.691 4.340 -0.036 0.000 0.270 473 R C -1.186 175.039 176.300 -0.125 0.000 1.052 473 R CA -1.063 55.146 56.100 0.183 0.000 0.902 473 R CB 1.234 31.664 30.300 0.217 0.000 1.233 473 R HN 0.447 nan 8.270 nan 0.000 0.455 474 E N 2.039 122.072 120.200 -0.279 0.000 2.406 474 E HA 0.159 4.487 4.350 -0.036 0.000 0.258 474 E C 0.324 176.850 176.600 -0.122 0.000 1.043 474 E CA 0.149 56.357 56.400 -0.319 0.000 0.929 474 E CB 0.958 30.515 29.700 -0.239 0.000 0.969 474 E HN 0.607 nan 8.360 nan 0.000 0.462 475 A N 0.000 122.761 122.820 -0.098 0.000 2.254 475 A HA 0.000 4.299 4.320 -0.036 0.000 0.244 475 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 475 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486