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 2zxb_1_B DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA VE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.126 176.300 -0.289 0.000 0.893 7 R CA 0.000 55.976 56.100 -0.206 0.000 0.921 7 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 8 Y N 1.305 121.619 120.300 0.023 0.000 2.307 8 Y HA 0.455 5.006 4.550 0.001 0.000 0.324 8 Y C 0.914 176.817 175.900 0.006 0.000 1.238 8 Y CA -0.127 57.985 58.100 0.020 0.000 1.280 8 Y CB 1.124 39.625 38.460 0.069 0.000 1.248 8 Y HN 0.176 nan 8.280 nan 0.000 0.508 9 K N 3.235 123.703 120.400 0.114 0.000 2.166 9 K HA 0.339 4.659 4.320 0.001 0.000 0.245 9 K C -2.491 174.081 176.600 -0.047 0.000 0.967 9 K CA -2.080 54.224 56.287 0.027 0.000 0.863 9 K CB 0.993 33.487 32.500 -0.010 0.000 1.107 9 K HN 0.313 nan 8.250 nan 0.000 0.436 10 P HA -0.032 nan 4.420 nan 0.000 0.231 10 P C -1.534 175.461 177.300 -0.509 0.000 1.756 10 P CA 0.322 63.207 63.100 -0.359 0.000 0.990 10 P CB -0.315 31.146 31.700 -0.397 0.000 1.973 11 D N -0.871 119.279 120.400 -0.417 0.000 2.736 11 D HA 0.036 4.677 4.640 0.001 0.000 0.223 11 D C 0.433 176.533 176.300 -0.334 0.000 1.231 11 D CA -0.811 52.882 54.000 -0.512 0.000 0.818 11 D CB 0.238 40.860 40.800 -0.297 0.000 1.587 11 D HN 0.028 nan 8.370 nan 0.000 0.463 12 W N 1.017 122.260 121.300 -0.095 0.000 2.305 12 W HA -0.173 4.488 4.660 0.001 0.000 0.308 12 W C 2.315 178.804 176.519 -0.050 0.000 1.226 12 W CA 1.113 58.418 57.345 -0.067 0.000 1.253 12 W CB -0.130 29.310 29.460 -0.034 0.000 1.146 12 W HN 0.603 nan 8.180 nan 0.000 0.507 13 E N 0.474 120.761 120.200 0.144 0.000 2.058 13 E HA -0.279 4.072 4.350 0.001 0.000 0.194 13 E C 2.384 179.018 176.600 0.056 0.000 0.997 13 E CA 1.909 58.360 56.400 0.085 0.000 0.801 13 E CB -0.351 29.378 29.700 0.049 0.000 0.746 13 E HN 0.129 nan 8.360 nan 0.000 0.450 14 S N -0.068 115.650 115.700 0.031 0.000 2.383 14 S HA -0.082 4.389 4.470 0.001 0.000 0.227 14 S C 2.006 176.666 174.600 0.100 0.000 1.026 14 S CA 0.757 58.987 58.200 0.051 0.000 0.981 14 S CB -0.282 62.935 63.200 0.028 0.000 0.818 14 S HN 0.332 nan 8.310 nan 0.000 0.472 15 L N 1.015 122.258 121.223 0.033 0.000 2.362 15 L HA 0.045 4.385 4.340 0.001 0.000 0.219 15 L C 2.741 179.539 176.870 -0.119 0.000 1.134 15 L CA 0.929 55.711 54.840 -0.097 0.000 0.807 15 L CB -0.452 41.432 42.059 -0.291 0.000 0.927 15 L HN 0.285 nan 8.230 nan 0.000 0.447 16 R N 1.086 121.605 120.500 0.031 0.000 2.159 16 R HA -0.191 4.150 4.340 0.001 0.000 0.237 16 R C 1.891 178.231 176.300 0.067 0.000 1.131 16 R CA 1.371 57.521 56.100 0.084 0.000 0.982 16 R CB -0.293 30.041 30.300 0.056 0.000 0.868 16 R HN 0.387 nan 8.270 nan 0.000 0.453 17 E N -0.559 119.695 120.200 0.091 0.000 2.209 17 E HA -0.197 4.153 4.350 0.001 0.000 0.196 17 E C 0.055 176.724 176.600 0.115 0.000 0.993 17 E CA 0.748 57.219 56.400 0.120 0.000 0.819 17 E CB -0.240 29.576 29.700 0.193 0.000 0.745 17 E HN 0.405 nan 8.360 nan 0.000 0.477 18 H N 1.453 120.470 119.070 -0.089 0.000 2.846 18 H HA 0.090 4.647 4.556 0.001 0.000 0.278 18 H C -0.451 174.749 175.328 -0.213 0.000 1.117 18 H CA 0.095 55.942 56.048 -0.335 0.000 1.406 18 H CB 0.221 29.294 29.762 -1.150 0.000 1.445 18 H HN -0.040 nan 8.280 nan 0.000 0.469 19 T N 1.167 115.432 114.554 -0.481 0.000 2.923 19 T HA 0.217 4.567 4.350 0.001 0.000 0.281 19 T C 0.447 174.894 174.700 -0.422 0.000 0.995 19 T CA -0.938 60.980 62.100 -0.303 0.000 0.985 19 T CB 1.640 70.401 68.868 -0.179 0.000 1.114 19 T HN 0.356 nan 8.240 nan 0.000 0.548 20 V N 2.807 122.618 119.914 -0.173 0.000 2.599 20 V HA 0.246 4.366 4.120 0.001 0.000 0.300 20 V C -2.215 173.749 176.094 -0.218 0.000 1.034 20 V CA -1.525 60.691 62.300 -0.139 0.000 1.115 20 V CB -0.180 31.639 31.823 -0.006 0.000 0.934 20 V HN 0.807 nan 8.190 nan 0.000 0.485 21 P HA 0.072 nan 4.420 nan 0.000 0.266 21 P C 0.495 177.639 177.300 -0.260 0.000 1.195 21 P CA 0.017 62.955 63.100 -0.270 0.000 0.768 21 P CB 0.413 31.918 31.700 -0.325 0.000 0.838 22 K N 3.168 123.511 120.400 -0.094 0.000 2.103 22 K HA -0.148 4.173 4.320 0.001 0.000 0.207 22 K C 1.742 178.354 176.600 0.021 0.000 1.048 22 K CA 1.652 57.931 56.287 -0.014 0.000 0.930 22 K CB -0.322 32.211 32.500 0.054 0.000 0.716 22 K HN 0.691 nan 8.250 nan 0.000 0.444 23 W N 0.019 121.364 121.300 0.076 0.000 2.363 23 W HA -0.221 4.440 4.660 0.001 0.000 0.296 23 W C 1.585 178.134 176.519 0.051 0.000 1.212 23 W CA 0.271 57.658 57.345 0.069 0.000 1.260 23 W CB -1.078 28.430 29.460 0.080 0.000 1.131 23 W HN 0.013 nan 8.180 nan 0.000 0.530 24 F N 2.715 121.967 119.950 -1.162 0.000 2.128 24 F HA -0.157 4.371 4.527 0.001 0.000 0.295 24 F C 2.486 177.988 175.800 -0.496 0.000 1.100 24 F CA 2.381 59.616 58.000 -1.275 0.000 1.260 24 F CB -0.785 37.181 39.000 -1.722 0.000 1.009 24 F HN -0.236 nan 8.300 nan 0.000 0.476 25 D N 0.628 120.914 120.400 -0.190 0.000 2.123 25 D HA -0.199 4.442 4.640 0.001 0.000 0.196 25 D C 1.754 177.998 176.300 -0.093 0.000 0.992 25 D CA 1.393 55.340 54.000 -0.090 0.000 0.833 25 D CB -0.049 40.745 40.800 -0.010 0.000 0.954 25 D HN 0.398 nan 8.370 nan 0.000 0.455 26 K N 0.007 120.390 120.400 -0.028 0.000 2.361 26 K HA 0.163 4.484 4.320 0.001 0.000 0.196 26 K C 2.044 178.711 176.600 0.112 0.000 1.039 26 K CA 0.473 56.796 56.287 0.060 0.000 1.001 26 K CB 0.312 32.881 32.500 0.115 0.000 0.795 26 K HN 0.009 nan 8.250 nan 0.000 0.495 27 A N 2.240 125.105 122.820 0.075 0.000 1.898 27 A HA -0.197 4.124 4.320 0.001 0.000 0.216 27 A C 0.987 178.729 177.584 0.264 0.000 1.181 27 A CA 1.549 53.722 52.037 0.227 0.000 0.620 27 A CB -0.064 19.141 19.000 0.342 0.000 0.819 27 A HN 0.181 nan 8.150 nan 0.000 0.442 28 K N -3.629 116.808 120.400 0.062 0.000 3.517 28 K HA -0.245 4.076 4.320 0.001 0.000 0.320 28 K C 0.080 176.763 176.600 0.137 0.000 0.769 28 K CA 2.120 58.428 56.287 0.036 0.000 1.397 28 K CB -1.932 30.589 32.500 0.035 0.000 1.376 28 K HN 0.742 nan 8.250 nan 0.000 0.456 29 F N -0.041 119.918 119.950 0.014 0.000 2.557 29 F HA 0.552 5.079 4.527 0.001 0.000 0.316 29 F C 0.054 175.630 175.800 -0.373 0.000 1.141 29 F CA -0.196 57.735 58.000 -0.114 0.000 0.922 29 F CB 2.129 41.117 39.000 -0.020 0.000 1.194 29 F HN 0.051 nan 8.300 nan 0.000 0.443 30 G N 6.111 114.246 108.800 -1.108 0.000 2.563 30 G HA2 0.609 4.569 3.960 0.001 0.000 0.302 30 G HA3 0.609 4.569 3.960 0.001 0.000 0.302 30 G C -1.932 172.300 174.900 -1.113 0.000 1.301 30 G CA -0.763 43.336 45.100 -1.669 0.000 0.965 30 G HN 0.438 nan 8.290 nan 0.000 0.480 31 I N 1.330 121.348 120.570 -0.920 0.000 2.336 31 I HA 0.417 4.588 4.170 0.001 0.000 0.292 31 I C -0.768 175.117 176.117 -0.387 0.000 0.991 31 I CA -1.264 59.645 61.300 -0.651 0.000 1.227 31 I CB 1.165 38.612 38.000 -0.923 0.000 1.366 31 I HN 0.194 nan 8.210 nan 0.000 0.466 32 F N 6.985 126.740 119.950 -0.324 0.000 2.397 32 F HA 0.582 5.109 4.527 0.001 0.000 0.331 32 F C 0.204 175.925 175.800 -0.131 0.000 1.090 32 F CA -1.472 56.420 58.000 -0.180 0.000 1.065 32 F CB 1.172 40.107 39.000 -0.109 0.000 1.184 32 F HN 0.175 nan 8.300 nan 0.000 0.499 33 I N 4.685 125.419 120.570 0.273 0.000 2.503 33 I HA 0.148 4.319 4.170 0.001 0.000 0.282 33 I C -1.323 174.911 176.117 0.195 0.000 1.059 33 I CA -0.721 60.671 61.300 0.153 0.000 1.081 33 I CB 1.431 39.525 38.000 0.155 0.000 1.210 33 I HN 0.376 nan 8.210 nan 0.000 0.450 34 H N 5.036 124.093 119.070 -0.021 0.000 2.690 34 H HA 0.343 4.899 4.556 0.001 0.000 0.289 34 H C -1.345 174.162 175.328 0.298 0.000 1.089 34 H CA -0.242 55.835 56.048 0.048 0.000 1.299 34 H CB 0.685 30.425 29.762 -0.037 0.000 1.405 34 H HN 0.542 nan 8.280 nan 0.000 0.463 35 W N 3.728 125.068 121.300 0.067 0.000 2.968 35 W HA 0.577 5.238 4.660 0.001 0.000 0.337 35 W C -0.698 175.595 176.519 -0.377 0.000 1.060 35 W CA -0.828 56.470 57.345 -0.078 0.000 1.240 35 W CB 1.421 30.966 29.460 0.140 0.000 1.370 35 W HN 0.698 nan 8.180 nan 0.000 0.459 36 G N 3.783 111.877 108.800 -1.177 0.000 2.619 36 G HA2 0.276 4.236 3.960 0.001 0.000 0.305 36 G HA3 0.276 4.236 3.960 0.001 0.000 0.305 36 G C 0.408 174.170 174.900 -1.897 0.000 1.330 36 G CA -0.208 43.989 45.100 -1.504 0.000 0.789 36 G HN 0.916 nan 8.290 nan 0.000 0.487 37 I N -1.333 118.398 120.570 -1.397 0.000 2.530 37 I HA -0.110 4.060 4.170 0.001 0.000 0.257 37 I C 2.170 177.755 176.117 -0.887 0.000 1.179 37 I CA 1.636 62.248 61.300 -1.147 0.000 1.440 37 I CB -0.484 36.987 38.000 -0.882 0.000 1.087 37 I HN 0.549 nan 8.210 nan 0.000 0.440 38 Y N 0.737 120.785 120.300 -0.419 0.000 2.497 38 Y HA 0.095 4.646 4.550 0.001 0.000 0.292 38 Y C 2.356 178.026 175.900 -0.383 0.000 1.137 38 Y CA 0.618 58.538 58.100 -0.300 0.000 1.285 38 Y CB -1.457 37.028 38.460 0.042 0.000 0.991 38 Y HN 0.067 nan 8.280 nan 0.000 0.556 39 S N 0.287 115.621 115.700 -0.611 0.000 2.447 39 S HA -0.118 4.352 4.470 0.001 0.000 0.233 39 S C 2.012 176.497 174.600 -0.191 0.000 1.006 39 S CA 1.122 59.176 58.200 -0.244 0.000 0.957 39 S CB -0.511 62.507 63.200 -0.303 0.000 0.773 39 S HN 0.394 nan 8.310 nan 0.000 0.507 40 V N 2.967 122.600 119.914 -0.470 0.000 2.229 40 V HA -0.082 4.039 4.120 0.001 0.000 0.243 40 V C -0.451 175.431 176.094 -0.353 0.000 1.042 40 V CA 1.470 63.552 62.300 -0.363 0.000 1.000 40 V CB -1.844 29.709 31.823 -0.449 0.000 0.637 40 V HN 0.335 nan 8.190 nan 0.000 0.446 41 P HA -0.091 nan 4.420 nan 0.000 0.222 41 P C 1.238 178.527 177.300 -0.018 0.000 1.147 41 P CA 1.621 64.491 63.100 -0.383 0.000 0.790 41 P CB -0.419 30.718 31.700 -0.938 0.000 0.780 42 G N -0.007 108.750 108.800 -0.071 0.000 2.385 42 G HA2 -0.216 3.744 3.960 0.001 0.000 0.284 42 G HA3 -0.216 3.744 3.960 0.001 0.000 0.284 42 G C -0.634 174.253 174.900 -0.021 0.000 0.899 42 G CA 0.241 45.364 45.100 0.038 0.000 1.204 42 G HN 0.435 nan 8.290 nan 0.000 0.486 43 W N -0.008 121.237 121.300 -0.092 0.000 3.022 43 W HA 0.694 5.354 4.660 0.001 0.000 0.335 43 W C -0.368 176.122 176.519 -0.048 0.000 1.133 43 W CA -0.116 57.137 57.345 -0.153 0.000 1.219 43 W CB 1.815 31.089 29.460 -0.310 0.000 1.409 43 W HN 0.871 nan 8.180 nan 0.000 0.507 44 A N 2.170 124.471 122.820 -0.866 0.000 2.594 44 A HA 0.524 4.845 4.320 0.001 0.000 0.296 44 A C -0.561 176.312 177.584 -1.186 0.000 1.056 44 A CA -0.497 51.068 52.037 -0.787 0.000 0.693 44 A CB 0.753 19.568 19.000 -0.308 0.000 1.278 44 A HN 0.768 nan 8.150 nan 0.000 0.408 45 T N 0.387 114.383 114.554 -0.930 0.000 2.779 45 T HA 0.539 4.889 4.350 0.001 0.000 0.296 45 T C -2.458 171.940 174.700 -0.504 0.000 0.938 45 T CA -1.430 60.265 62.100 -0.675 0.000 1.119 45 T CB 0.530 69.166 68.868 -0.385 0.000 0.891 45 T HN 0.244 nan 8.240 nan 0.000 0.526 46 P HA 0.188 nan 4.420 nan 0.000 0.231 46 P C 0.918 178.052 177.300 -0.277 0.000 1.756 46 P CA -0.230 62.596 63.100 -0.457 0.000 0.990 46 P CB -0.352 30.874 31.700 -0.789 0.000 1.973 47 T N -1.030 113.365 114.554 -0.265 0.000 2.684 47 T HA 0.086 4.436 4.350 0.001 0.000 0.267 47 T C 1.143 175.796 174.700 -0.078 0.000 1.036 47 T CA 1.686 63.680 62.100 -0.177 0.000 1.148 47 T CB -0.292 68.426 68.868 -0.249 0.000 0.863 47 T HN 0.480 nan 8.240 nan 0.000 0.436 48 G N -0.118 108.644 108.800 -0.063 0.000 2.404 48 G HA2 0.333 4.293 3.960 0.001 0.000 0.253 48 G HA3 0.333 4.293 3.960 0.001 0.000 0.253 48 G C -2.090 172.847 174.900 0.063 0.000 1.253 48 G CA -0.916 44.206 45.100 0.037 0.000 0.917 48 G HN 0.265 nan 8.290 nan 0.000 0.480 49 E N -0.204 120.059 120.200 0.106 0.000 2.191 49 E HA 0.523 4.874 4.350 0.001 0.000 0.274 49 E C -0.717 175.894 176.600 0.018 0.000 0.948 49 E CA -0.906 55.513 56.400 0.032 0.000 0.802 49 E CB 2.802 32.620 29.700 0.197 0.000 1.137 49 E HN 0.448 nan 8.360 nan 0.000 0.397 50 L N 2.135 123.221 121.223 -0.227 0.000 2.513 50 L HA 0.211 4.552 4.340 0.001 0.000 0.272 50 L C 0.996 177.860 176.870 -0.010 0.000 1.187 50 L CA 1.730 56.336 54.840 -0.390 0.000 0.895 50 L CB -0.145 41.695 42.059 -0.365 0.000 1.147 50 L HN 0.879 nan 8.230 nan 0.000 0.483 51 G N 3.324 112.061 108.800 -0.105 0.000 2.253 51 G HA2 -0.207 3.753 3.960 0.001 0.000 0.209 51 G HA3 -0.207 3.753 3.960 0.001 0.000 0.209 51 G C 0.918 175.804 174.900 -0.023 0.000 0.997 51 G CA 0.185 45.307 45.100 0.036 0.000 0.640 51 G HN 0.524 nan 8.290 nan 0.000 0.496 52 K N -0.102 120.306 120.400 0.013 0.000 2.412 52 K HA 0.443 4.763 4.320 0.001 0.000 0.202 52 K C 0.584 177.194 176.600 0.016 0.000 1.102 52 K CA 0.350 56.628 56.287 -0.015 0.000 1.027 52 K CB 1.527 34.039 32.500 0.021 0.000 0.931 52 K HN 0.349 nan 8.250 nan 0.000 0.557 53 V N 5.438 125.375 119.914 0.039 0.000 2.370 53 V HA 0.213 4.333 4.120 0.001 0.000 0.279 53 V C -2.291 173.848 176.094 0.074 0.000 1.029 53 V CA -1.964 60.410 62.300 0.123 0.000 0.870 53 V CB 1.262 33.313 31.823 0.381 0.000 0.984 53 V HN 0.038 nan 8.190 nan 0.000 0.451 54 P HA 0.073 nan 4.420 nan 0.000 0.262 54 P C 0.802 178.176 177.300 0.125 0.000 1.199 54 P CA -0.101 63.039 63.100 0.067 0.000 0.763 54 P CB 0.646 32.388 31.700 0.069 0.000 0.790 55 M N 1.457 121.105 119.600 0.080 0.000 2.530 55 M HA -0.104 4.377 4.480 0.001 0.000 0.261 55 M C 0.939 177.431 176.300 0.319 0.000 1.067 55 M CA 1.287 56.665 55.300 0.131 0.000 1.071 55 M CB -1.135 31.491 32.600 0.043 0.000 1.405 55 M HN 0.376 nan 8.290 nan 0.000 0.478 56 D N 0.187 120.774 120.400 0.312 0.000 2.269 56 D HA 0.018 4.658 4.640 0.001 0.000 0.208 56 D C 1.657 178.261 176.300 0.506 0.000 0.963 56 D CA 1.203 55.474 54.000 0.452 0.000 0.864 56 D CB 0.400 41.366 40.800 0.276 0.000 0.936 56 D HN 0.421 nan 8.370 nan 0.000 0.505 57 A N 0.151 123.193 122.820 0.369 0.000 2.074 57 A HA 0.019 4.340 4.320 0.001 0.000 0.200 57 A C 1.806 179.592 177.584 0.337 0.000 1.335 57 A CA -0.364 51.899 52.037 0.377 0.000 0.922 57 A CB -0.738 18.361 19.000 0.165 0.000 0.972 57 A HN 0.267 nan 8.150 nan 0.000 0.475 58 W N 1.035 122.307 121.300 -0.047 0.000 2.272 58 W HA -0.369 4.291 4.660 0.001 0.000 0.344 58 W C 1.269 177.473 176.519 -0.525 0.000 1.390 58 W CA 2.613 59.737 57.345 -0.367 0.000 1.331 58 W CB -0.878 28.224 29.460 -0.597 0.000 1.103 58 W HN 0.379 nan 8.180 nan 0.000 0.470 59 F N -0.622 119.143 119.950 -0.309 0.000 2.546 59 F HA -0.115 4.413 4.527 0.001 0.000 0.298 59 F C 1.846 177.294 175.800 -0.587 0.000 1.120 59 F CA 1.057 58.720 58.000 -0.562 0.000 1.456 59 F CB -1.029 37.640 39.000 -0.552 0.000 1.088 59 F HN -0.212 nan 8.300 nan 0.000 0.572 60 F N -1.000 118.872 119.950 -0.131 0.000 2.746 60 F HA 0.135 4.662 4.527 0.001 0.000 0.297 60 F C 1.107 176.825 175.800 -0.136 0.000 1.113 60 F CA 0.259 58.197 58.000 -0.102 0.000 1.367 60 F CB -0.227 38.726 39.000 -0.077 0.000 1.111 60 F HN -0.086 nan 8.300 nan 0.000 0.590 61 Q N 0.320 120.068 119.800 -0.087 0.000 2.215 61 Q HA 0.120 4.460 4.340 0.001 0.000 0.337 61 Q C -0.485 175.213 176.000 -0.503 0.000 0.887 61 Q CA -0.362 55.321 55.803 -0.200 0.000 1.134 61 Q CB 0.292 28.936 28.738 -0.158 0.000 1.303 61 Q HN 0.040 nan 8.270 nan 0.000 0.421 62 N N 3.200 121.560 118.700 -0.567 0.000 2.411 62 N HA -0.018 4.723 4.740 0.001 0.000 0.265 62 N C -1.596 173.529 175.510 -0.641 0.000 1.266 62 N CA -0.508 52.024 53.050 -0.864 0.000 0.889 62 N CB 0.984 39.154 38.487 -0.528 0.000 1.069 62 N HN 0.222 nan 8.380 nan 0.000 0.476 63 P HA 0.015 nan 4.420 nan 0.000 0.251 63 P C -0.428 176.803 177.300 -0.115 0.000 1.223 63 P CA 0.329 63.159 63.100 -0.449 0.000 0.796 63 P CB 0.281 31.707 31.700 -0.456 0.000 1.068 64 Y N 1.129 121.260 120.300 -0.281 0.000 2.504 64 Y HA 0.356 4.907 4.550 0.001 0.000 0.351 64 Y C 1.919 177.840 175.900 0.035 0.000 0.988 64 Y CA -1.456 56.628 58.100 -0.027 0.000 1.239 64 Y CB 0.190 38.697 38.460 0.079 0.000 1.128 64 Y HN -0.029 nan 8.280 nan 0.000 0.525 65 A N 2.925 125.827 122.820 0.136 0.000 2.015 65 A HA -0.154 4.167 4.320 0.001 0.000 0.219 65 A C 1.750 179.406 177.584 0.119 0.000 1.163 65 A CA 1.158 53.278 52.037 0.138 0.000 0.646 65 A CB -0.214 18.826 19.000 0.067 0.000 0.806 65 A HN 0.700 nan 8.150 nan 0.000 0.448 66 E N -1.224 118.889 120.200 -0.144 0.000 2.401 66 E HA -0.186 4.165 4.350 0.001 0.000 0.199 66 E C 0.655 177.114 176.600 -0.235 0.000 1.023 66 E CA 0.690 56.550 56.400 -0.900 0.000 0.859 66 E CB -0.473 28.302 29.700 -1.541 0.000 0.780 66 E HN 0.840 nan 8.360 nan 0.000 0.523 67 W N 0.035 121.378 121.300 0.073 0.000 3.438 67 W HA 0.225 4.886 4.660 0.001 0.000 0.322 67 W C 1.095 177.750 176.519 0.226 0.000 1.261 67 W CA -0.796 56.758 57.345 0.348 0.000 1.788 67 W CB -0.705 28.961 29.460 0.344 0.000 1.065 67 W HN 0.111 nan 8.180 nan 0.000 0.715 68 Y N 1.316 121.762 120.300 0.243 0.000 2.081 68 Y HA -0.375 4.176 4.550 0.001 0.000 0.280 68 Y C 2.518 178.433 175.900 0.024 0.000 1.163 68 Y CA 2.655 60.888 58.100 0.221 0.000 1.135 68 Y CB -0.243 38.437 38.460 0.366 0.000 0.970 68 Y HN 0.094 nan 8.280 nan 0.000 0.498 69 E N -0.315 119.845 120.200 -0.067 0.000 2.077 69 E HA -0.296 4.054 4.350 0.001 0.000 0.193 69 E C 2.008 178.257 176.600 -0.586 0.000 0.989 69 E CA 1.442 57.526 56.400 -0.526 0.000 0.800 69 E CB -0.322 28.793 29.700 -0.974 0.000 0.746 69 E HN 0.530 nan 8.360 nan 0.000 0.452 70 N N -0.163 118.017 118.700 -0.866 0.000 2.058 70 N HA -0.138 4.603 4.740 0.001 0.000 0.191 70 N C 1.802 177.137 175.510 -0.292 0.000 1.037 70 N CA 1.931 54.511 53.050 -0.784 0.000 0.848 70 N CB -0.146 37.999 38.487 -0.571 0.000 1.021 70 N HN -0.016 nan 8.380 nan 0.000 0.422 71 S N 0.092 115.724 115.700 -0.113 0.000 2.365 71 S HA -0.150 4.321 4.470 0.001 0.000 0.225 71 S C 1.732 176.278 174.600 -0.091 0.000 1.039 71 S CA 1.028 59.189 58.200 -0.066 0.000 1.033 71 S CB -0.568 62.623 63.200 -0.016 0.000 0.887 71 S HN 0.350 nan 8.310 nan 0.000 0.447 72 L N 1.952 123.071 121.223 -0.173 0.000 2.131 72 L HA 0.001 4.341 4.340 0.001 0.000 0.210 72 L C 2.051 178.939 176.870 0.029 0.000 1.092 72 L CA 1.606 56.390 54.840 -0.094 0.000 0.759 72 L CB -0.490 41.449 42.059 -0.200 0.000 0.903 72 L HN 0.139 nan 8.230 nan 0.000 0.435 73 R N -0.672 119.767 120.500 -0.101 0.000 2.285 73 R HA 0.077 4.418 4.340 0.001 0.000 0.213 73 R C 0.201 176.445 176.300 -0.094 0.000 1.068 73 R CA 0.347 56.384 56.100 -0.105 0.000 1.004 73 R CB -0.224 29.944 30.300 -0.221 0.000 0.873 73 R HN 0.335 nan 8.270 nan 0.000 0.467 74 I N 2.004 122.530 120.570 -0.074 0.000 2.287 74 I HA 0.115 4.285 4.170 0.001 0.000 0.290 74 I C 0.033 176.082 176.117 -0.112 0.000 1.069 74 I CA -0.417 60.838 61.300 -0.075 0.000 1.237 74 I CB 0.974 38.951 38.000 -0.038 0.000 1.418 74 I HN -0.136 nan 8.210 nan 0.000 0.481 75 K N 4.708 124.908 120.400 -0.334 0.000 2.436 75 K HA 0.015 4.336 4.320 0.001 0.000 0.275 75 K C 0.107 176.398 176.600 -0.516 0.000 0.999 75 K CA 0.343 56.107 56.287 -0.872 0.000 0.980 75 K CB 0.259 32.210 32.500 -0.916 0.000 0.919 75 K HN 0.438 nan 8.250 nan 0.000 0.484 76 E N 0.640 120.542 120.200 -0.497 0.000 2.414 76 E HA -0.183 4.168 4.350 0.001 0.000 0.173 76 E C -1.667 174.980 176.600 0.079 0.000 1.551 76 E CA 0.944 57.310 56.400 -0.056 0.000 0.661 76 E CB -0.953 28.655 29.700 -0.152 0.000 1.108 76 E HN 0.570 nan 8.360 nan 0.000 0.365 77 S N 0.565 116.397 115.700 0.220 0.000 2.537 77 S HA 0.679 5.149 4.470 0.001 0.000 0.270 77 S C -2.262 172.486 174.600 0.247 0.000 1.142 77 S CA -1.262 57.063 58.200 0.208 0.000 0.870 77 S CB 2.316 65.630 63.200 0.189 0.000 1.112 77 S HN -0.095 nan 8.310 nan 0.000 0.466 78 P HA -0.155 nan 4.420 nan 0.000 0.217 78 P C 1.437 178.901 177.300 0.273 0.000 1.158 78 P CA 2.045 65.325 63.100 0.300 0.000 0.887 78 P CB -0.295 31.626 31.700 0.367 0.000 0.792 79 T N -2.310 112.424 114.554 0.300 0.000 2.788 79 T HA -0.196 4.155 4.350 0.001 0.000 0.268 79 T C 1.394 176.112 174.700 0.029 0.000 1.044 79 T CA 1.253 63.424 62.100 0.118 0.000 1.139 79 T CB -0.951 67.940 68.868 0.038 0.000 0.867 79 T HN 0.222 nan 8.240 nan 0.000 0.454 80 W N 2.283 123.568 121.300 -0.026 0.000 2.354 80 W HA -0.104 4.557 4.660 0.001 0.000 0.315 80 W C 2.207 178.742 176.519 0.026 0.000 1.206 80 W CA 1.158 58.500 57.345 -0.006 0.000 1.290 80 W CB -0.176 29.281 29.460 -0.004 0.000 1.152 80 W HN 0.225 nan 8.180 nan 0.000 0.489 81 E N -0.759 119.530 120.200 0.149 0.000 2.038 81 E HA -0.344 4.006 4.350 0.001 0.000 0.195 81 E C 1.943 178.413 176.600 -0.217 0.000 1.000 81 E CA 1.976 58.354 56.400 -0.037 0.000 0.803 81 E CB -1.324 28.440 29.700 0.107 0.000 0.750 81 E HN 0.464 nan 8.360 nan 0.000 0.448 82 Y N 1.241 121.326 120.300 -0.358 0.000 2.151 82 Y HA -0.317 4.234 4.550 0.001 0.000 0.284 82 Y C 2.437 178.102 175.900 -0.392 0.000 1.166 82 Y CA 2.346 60.108 58.100 -0.563 0.000 1.163 82 Y CB -0.456 37.242 38.460 -1.270 0.000 0.974 82 Y HN 0.166 nan 8.280 nan 0.000 0.511 83 H N -0.895 117.980 119.070 -0.324 0.000 2.299 83 H HA -0.137 4.420 4.556 0.001 0.000 0.302 83 H C 2.210 177.329 175.328 -0.350 0.000 1.078 83 H CA 2.529 58.467 56.048 -0.184 0.000 1.323 83 H CB -0.507 29.210 29.762 -0.074 0.000 1.381 83 H HN 0.195 nan 8.280 nan 0.000 0.498 84 V N 1.201 120.842 119.914 -0.455 0.000 2.332 84 V HA -0.287 3.833 4.120 0.001 0.000 0.248 84 V C 2.512 178.349 176.094 -0.429 0.000 1.055 84 V CA 2.323 64.319 62.300 -0.506 0.000 1.038 84 V CB -0.595 30.762 31.823 -0.777 0.000 0.651 84 V HN 0.487 nan 8.190 nan 0.000 0.450 85 K N -0.145 119.982 120.400 -0.456 0.000 2.025 85 K HA -0.168 4.152 4.320 0.001 0.000 0.207 85 K C 2.090 178.379 176.600 -0.518 0.000 1.049 85 K CA 2.032 58.072 56.287 -0.411 0.000 0.933 85 K CB -0.276 32.006 32.500 -0.363 0.000 0.714 85 K HN 0.499 nan 8.250 nan 0.000 0.438 86 T N -0.446 113.639 114.554 -0.782 0.000 2.896 86 T HA -0.026 4.325 4.350 0.001 0.000 0.263 86 T C 1.114 175.201 174.700 -1.022 0.000 1.050 86 T CA 1.123 62.628 62.100 -0.991 0.000 1.140 86 T CB -0.136 67.823 68.868 -1.515 0.000 0.877 86 T HN 0.324 nan 8.240 nan 0.000 0.457 87 Y N 0.379 120.261 120.300 -0.697 0.000 2.589 87 Y HA 0.481 5.031 4.550 0.001 0.000 0.271 87 Y C 1.419 177.030 175.900 -0.482 0.000 1.107 87 Y CA 0.095 57.731 58.100 -0.773 0.000 1.273 87 Y CB 0.822 38.412 38.460 -1.449 0.000 1.266 87 Y HN 0.363 nan 8.280 nan 0.000 0.504 88 G N 0.671 109.295 108.800 -0.295 0.000 2.497 88 G HA2 -0.161 3.800 3.960 0.001 0.000 0.686 88 G HA3 -0.161 3.800 3.960 0.001 0.000 0.686 88 G C -0.115 174.774 174.900 -0.018 0.000 1.288 88 G CA -0.329 44.697 45.100 -0.124 0.000 0.899 88 G HN 0.143 nan 8.290 nan 0.000 0.608 89 E N -0.515 119.689 120.200 0.008 0.000 2.158 89 E HA -0.061 4.289 4.350 0.001 0.000 0.191 89 E C 2.069 178.751 176.600 0.136 0.000 0.982 89 E CA 0.792 57.238 56.400 0.077 0.000 0.823 89 E CB 0.040 29.783 29.700 0.071 0.000 0.766 89 E HN 0.489 nan 8.360 nan 0.000 0.468 90 N N -0.277 118.489 118.700 0.109 0.000 2.521 90 N HA -0.078 4.663 4.740 0.001 0.000 0.188 90 N C -0.439 175.128 175.510 0.094 0.000 1.146 90 N CA -0.163 52.935 53.050 0.081 0.000 0.893 90 N CB 0.128 38.643 38.487 0.047 0.000 0.975 90 N HN -0.044 nan 8.380 nan 0.000 0.451 91 F N 1.908 121.870 119.950 0.021 0.000 2.313 91 F HA 0.261 4.789 4.527 0.001 0.000 0.369 91 F C -0.389 175.448 175.800 0.062 0.000 1.109 91 F CA -1.126 56.872 58.000 -0.004 0.000 1.132 91 F CB 0.436 39.398 39.000 -0.063 0.000 1.291 91 F HN -0.024 nan 8.300 nan 0.000 0.496 92 E N 3.920 124.097 120.200 -0.038 0.000 2.390 92 E HA -0.013 4.337 4.350 0.001 0.000 0.261 92 E C 0.406 177.033 176.600 0.045 0.000 1.076 92 E CA -0.147 56.275 56.400 0.038 0.000 0.905 92 E CB 0.403 30.084 29.700 -0.033 0.000 0.984 92 E HN 0.699 nan 8.360 nan 0.000 0.427 93 Y N 2.005 122.337 120.300 0.054 0.000 2.151 93 Y HA -0.282 4.268 4.550 0.001 0.000 0.284 93 Y C 1.343 177.352 175.900 0.181 0.000 1.166 93 Y CA 2.170 60.373 58.100 0.173 0.000 1.163 93 Y CB 0.088 38.712 38.460 0.274 0.000 0.974 93 Y HN 0.563 nan 8.280 nan 0.000 0.511 94 E N 0.497 120.801 120.200 0.174 0.000 2.267 94 E HA -0.217 4.134 4.350 0.001 0.000 0.197 94 E C 1.910 178.515 176.600 0.008 0.000 0.998 94 E CA 1.372 57.890 56.400 0.197 0.000 0.830 94 E CB -0.351 29.433 29.700 0.140 0.000 0.751 94 E HN 0.508 nan 8.360 nan 0.000 0.491 95 K N 0.201 120.472 120.400 -0.215 0.000 2.280 95 K HA -0.103 4.218 4.320 0.001 0.000 0.202 95 K C 1.247 177.699 176.600 -0.247 0.000 1.047 95 K CA 0.842 56.902 56.287 -0.379 0.000 0.942 95 K CB -0.223 31.718 32.500 -0.932 0.000 0.739 95 K HN 0.174 nan 8.250 nan 0.000 0.457 96 F N 0.357 120.204 119.950 -0.170 0.000 2.365 96 F HA -0.063 4.465 4.527 0.001 0.000 0.300 96 F C 2.287 177.904 175.800 -0.304 0.000 1.090 96 F CA 0.244 58.102 58.000 -0.236 0.000 1.408 96 F CB -0.041 38.678 39.000 -0.467 0.000 1.060 96 F HN 0.146 nan 8.300 nan 0.000 0.534 97 A N -0.184 122.526 122.820 -0.182 0.000 2.019 97 A HA -0.193 4.127 4.320 0.001 0.000 0.219 97 A C 1.774 179.273 177.584 -0.143 0.000 1.164 97 A CA 1.928 53.736 52.037 -0.381 0.000 0.644 97 A CB -0.488 18.297 19.000 -0.359 0.000 0.805 97 A HN 0.255 nan 8.150 nan 0.000 0.449 98 D N -0.618 119.751 120.400 -0.053 0.000 2.333 98 D HA 0.075 4.715 4.640 0.001 0.000 0.208 98 D C 1.559 177.870 176.300 0.017 0.000 0.984 98 D CA 0.517 54.504 54.000 -0.021 0.000 0.873 98 D CB 0.070 40.855 40.800 -0.026 0.000 0.935 98 D HN 0.454 nan 8.370 nan 0.000 0.521 99 L N -0.067 121.201 121.223 0.074 0.000 2.529 99 L HA 0.077 4.418 4.340 0.001 0.000 0.223 99 L C 0.649 177.600 176.870 0.136 0.000 1.113 99 L CA -0.124 54.794 54.840 0.129 0.000 0.861 99 L CB 0.106 42.309 42.059 0.239 0.000 1.012 99 L HN -0.110 nan 8.230 nan 0.000 0.461 100 F N 1.727 121.591 119.950 -0.142 0.000 2.567 100 F HA 0.125 4.652 4.527 0.001 0.000 0.352 100 F C 1.419 177.113 175.800 -0.177 0.000 1.229 100 F CA -0.866 56.999 58.000 -0.226 0.000 1.228 100 F CB -0.145 38.594 39.000 -0.435 0.000 1.568 100 F HN -0.062 nan 8.300 nan 0.000 0.634 101 T N 1.514 115.999 114.554 -0.115 0.000 3.060 101 T HA 0.319 4.670 4.350 0.001 0.000 0.249 101 T C 1.334 175.919 174.700 -0.193 0.000 1.079 101 T CA 0.302 62.289 62.100 -0.188 0.000 1.013 101 T CB -0.353 68.487 68.868 -0.046 0.000 0.975 101 T HN 1.030 nan 8.240 nan 0.000 0.518 102 A N 1.612 124.345 122.820 -0.146 0.000 2.665 102 A HA -0.276 4.044 4.320 0.001 0.000 0.301 102 A C 1.370 179.035 177.584 0.135 0.000 1.509 102 A CA 1.540 53.616 52.037 0.066 0.000 0.789 102 A CB -2.435 16.486 19.000 -0.131 0.000 1.024 102 A HN 0.782 nan 8.150 nan 0.000 0.460 103 E N 0.324 120.587 120.200 0.106 0.000 2.130 103 E HA -0.176 4.175 4.350 0.001 0.000 0.196 103 E C 1.418 178.089 176.600 0.119 0.000 0.998 103 E CA 2.141 58.597 56.400 0.092 0.000 0.806 103 E CB -0.117 29.628 29.700 0.076 0.000 0.738 103 E HN 0.755 nan 8.360 nan 0.000 0.459 104 K N -0.746 119.749 120.400 0.158 0.000 2.498 104 K HA 0.072 4.393 4.320 0.001 0.000 0.207 104 K C -0.828 175.880 176.600 0.181 0.000 1.033 104 K CA -0.532 55.837 56.287 0.138 0.000 1.138 104 K CB 0.054 32.622 32.500 0.114 0.000 0.860 104 K HN 0.150 nan 8.250 nan 0.000 0.490 105 W N 2.865 124.152 121.300 -0.022 0.000 2.303 105 W HA 0.033 4.694 4.660 0.001 0.000 0.318 105 W C -0.307 176.076 176.519 -0.227 0.000 1.362 105 W CA -0.204 57.049 57.345 -0.152 0.000 1.234 105 W CB 0.456 29.856 29.460 -0.101 0.000 1.248 105 W HN 0.026 nan 8.180 nan 0.000 0.546 106 D N 9.197 129.149 120.400 -0.747 0.000 2.420 106 D HA 0.147 4.787 4.640 0.001 0.000 0.255 106 D C -1.456 174.097 176.300 -1.244 0.000 1.185 106 D CA -1.763 51.760 54.000 -0.795 0.000 0.904 106 D CB 1.994 42.561 40.800 -0.388 0.000 1.102 106 D HN 0.158 nan 8.370 nan 0.000 0.534 107 P HA -0.199 nan 4.420 nan 0.000 0.216 107 P C 1.208 178.156 177.300 -0.586 0.000 1.150 107 P CA 1.105 63.406 63.100 -1.333 0.000 0.843 107 P CB 0.589 31.557 31.700 -1.220 0.000 0.787 108 Q N -0.220 119.306 119.800 -0.457 0.000 2.167 108 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 108 Q C 2.285 178.161 176.000 -0.206 0.000 0.970 108 Q CA 1.074 56.724 55.803 -0.255 0.000 0.855 108 Q CB -0.257 28.359 28.738 -0.203 0.000 0.911 108 Q HN 0.456 nan 8.270 nan 0.000 0.438 109 E N -0.350 119.711 120.200 -0.232 0.000 2.110 109 E HA -0.197 4.154 4.350 0.001 0.000 0.193 109 E C 1.557 178.092 176.600 -0.109 0.000 0.988 109 E CA 0.809 57.128 56.400 -0.136 0.000 0.804 109 E CB -0.074 29.569 29.700 -0.095 0.000 0.745 109 E HN 0.422 nan 8.360 nan 0.000 0.458 110 W N 1.031 122.049 121.300 -0.469 0.000 2.333 110 W HA -0.108 4.553 4.660 0.001 0.000 0.316 110 W C 2.619 178.504 176.519 -1.056 0.000 1.215 110 W CA 1.224 58.086 57.345 -0.806 0.000 1.278 110 W CB -1.024 28.136 29.460 -0.501 0.000 1.154 110 W HN 0.066 nan 8.180 nan 0.000 0.486 111 A N -0.427 122.269 122.820 -0.206 0.000 1.969 111 A HA -0.224 4.097 4.320 0.001 0.000 0.218 111 A C 1.775 179.312 177.584 -0.078 0.000 1.169 111 A CA 2.157 54.168 52.037 -0.043 0.000 0.635 111 A CB -0.954 18.076 19.000 0.051 0.000 0.810 111 A HN 0.277 nan 8.150 nan 0.000 0.445 112 D N -0.388 119.940 120.400 -0.120 0.000 2.097 112 D HA -0.157 4.484 4.640 0.001 0.000 0.195 112 D C 1.794 178.041 176.300 -0.088 0.000 0.989 112 D CA 1.387 55.339 54.000 -0.079 0.000 0.827 112 D CB -0.257 40.496 40.800 -0.080 0.000 0.966 112 D HN 0.227 nan 8.370 nan 0.000 0.456 113 L N -0.136 120.968 121.223 -0.198 0.000 2.013 113 L HA -0.124 4.217 4.340 0.001 0.000 0.212 113 L C 2.166 179.009 176.870 -0.046 0.000 1.073 113 L CA 1.776 56.503 54.840 -0.189 0.000 0.753 113 L CB -1.079 40.769 42.059 -0.352 0.000 0.890 113 L HN 0.167 nan 8.230 nan 0.000 0.432 114 F N -0.434 119.525 119.950 0.015 0.000 2.234 114 F HA -0.174 4.353 4.527 0.001 0.000 0.299 114 F C 2.559 178.366 175.800 0.011 0.000 1.087 114 F CA 1.019 59.014 58.000 -0.008 0.000 1.340 114 F CB -0.347 38.640 39.000 -0.022 0.000 1.031 114 F HN 0.122 nan 8.300 nan 0.000 0.500 115 K N 1.247 121.754 120.400 0.178 0.000 2.057 115 K HA -0.163 4.158 4.320 0.001 0.000 0.206 115 K C 1.968 178.637 176.600 0.116 0.000 1.050 115 K CA 1.215 57.572 56.287 0.116 0.000 0.935 115 K CB -0.024 32.515 32.500 0.066 0.000 0.715 115 K HN 0.102 nan 8.250 nan 0.000 0.439 116 K N -0.001 120.456 120.400 0.095 0.000 2.057 116 K HA -0.093 4.228 4.320 0.001 0.000 0.207 116 K C 1.937 178.626 176.600 0.149 0.000 1.049 116 K CA 1.317 57.660 56.287 0.093 0.000 0.931 116 K CB -0.109 32.425 32.500 0.057 0.000 0.714 116 K HN 0.208 nan 8.250 nan 0.000 0.440 117 A N -0.233 122.704 122.820 0.196 0.000 2.121 117 A HA 0.039 4.359 4.320 0.001 0.000 0.218 117 A C 1.569 179.408 177.584 0.426 0.000 1.154 117 A CA 1.502 53.704 52.037 0.275 0.000 0.679 117 A CB -0.389 18.798 19.000 0.313 0.000 0.795 117 A HN 0.495 nan 8.150 nan 0.000 0.458 118 G N -2.481 106.556 108.800 0.396 0.000 2.218 118 G HA2 0.149 4.109 3.960 0.001 0.000 0.216 118 G HA3 0.149 4.109 3.960 0.001 0.000 0.216 118 G C 0.490 175.720 174.900 0.551 0.000 0.994 118 G CA 0.182 45.599 45.100 0.529 0.000 0.637 118 G HN 1.602 nan 8.290 nan 0.000 0.505 119 A N 0.263 123.146 122.820 0.105 0.000 2.540 119 A HA 0.547 4.867 4.320 0.001 0.000 0.239 119 A C 1.283 178.768 177.584 -0.165 0.000 1.061 119 A CA 1.084 52.767 52.037 -0.591 0.000 0.758 119 A CB 0.359 18.931 19.000 -0.713 0.000 0.991 119 A HN 0.171 nan 8.150 nan 0.000 0.502 120 K N 0.540 120.860 120.400 -0.134 0.000 2.358 120 K HA 0.176 4.497 4.320 0.001 0.000 0.200 120 K C -0.736 175.967 176.600 0.172 0.000 1.030 120 K CA 0.562 56.892 56.287 0.071 0.000 1.097 120 K CB 0.030 32.646 32.500 0.194 0.000 0.862 120 K HN 0.823 nan 8.250 nan 0.000 0.534 121 Y N -3.337 116.933 120.300 -0.050 0.000 2.592 121 Y HA 0.630 5.181 4.550 0.001 0.000 0.334 121 Y C -0.879 174.979 175.900 -0.070 0.000 1.136 121 Y CA -1.555 56.546 58.100 0.001 0.000 1.042 121 Y CB 1.079 39.627 38.460 0.147 0.000 1.325 121 Y HN -0.321 nan 8.280 nan 0.000 0.457 122 V N 3.497 123.496 119.914 0.142 0.000 2.789 122 V HA 0.601 4.721 4.120 0.001 0.000 0.311 122 V C -0.679 175.459 176.094 0.073 0.000 1.073 122 V CA -0.911 61.388 62.300 -0.002 0.000 0.921 122 V CB 2.068 33.942 31.823 0.084 0.000 1.009 122 V HN 0.758 nan 8.190 nan 0.000 0.426 123 I N 5.646 126.223 120.570 0.013 0.000 2.531 123 I HA 0.377 4.547 4.170 0.001 0.000 0.283 123 I C -2.757 173.497 176.117 0.229 0.000 1.083 123 I CA -1.422 59.902 61.300 0.039 0.000 1.071 123 I CB 2.801 40.808 38.000 0.011 0.000 1.210 123 I HN 0.442 nan 8.210 nan 0.000 0.450 124 P HA 0.218 nan 4.420 nan 0.000 0.287 124 P C -0.397 177.048 177.300 0.241 0.000 1.270 124 P CA -0.348 62.928 63.100 0.294 0.000 0.844 124 P CB 1.363 33.325 31.700 0.436 0.000 1.068 125 T N -1.743 112.877 114.554 0.110 0.000 2.738 125 T HA 0.153 4.504 4.350 0.001 0.000 0.293 125 T C 1.404 176.283 174.700 0.298 0.000 0.913 125 T CA -0.081 62.062 62.100 0.073 0.000 1.103 125 T CB -0.658 68.024 68.868 -0.310 0.000 0.880 125 T HN 0.517 nan 8.240 nan 0.000 0.526 126 T N -0.183 114.610 114.554 0.398 0.000 3.043 126 T HA 0.136 4.487 4.350 0.001 0.000 0.263 126 T C 0.510 175.535 174.700 0.543 0.000 1.094 126 T CA 0.173 62.535 62.100 0.437 0.000 1.127 126 T CB -0.046 69.008 68.868 0.309 0.000 0.905 126 T HN 0.715 nan 8.240 nan 0.000 0.490 127 K N 0.313 120.967 120.400 0.423 0.000 2.582 127 K HA 0.191 4.511 4.320 0.001 0.000 0.259 127 K C -1.668 175.014 176.600 0.137 0.000 0.973 127 K CA -0.665 55.788 56.287 0.276 0.000 0.880 127 K CB 1.352 33.977 32.500 0.208 0.000 1.310 127 K HN 0.239 nan 8.250 nan 0.000 0.443 128 H N 1.859 120.981 119.070 0.086 0.000 2.669 128 H HA 0.253 4.810 4.556 0.001 0.000 0.318 128 H C 0.871 176.046 175.328 -0.255 0.000 1.429 128 H CA -0.001 55.979 56.048 -0.113 0.000 1.460 128 H CB 1.023 30.663 29.762 -0.204 0.000 1.784 128 H HN 0.705 nan 8.280 nan 0.000 0.750 129 H N 0.248 119.085 119.070 -0.388 0.000 2.466 129 H HA -0.152 4.404 4.556 0.001 0.000 0.297 129 H C 1.251 175.991 175.328 -0.981 0.000 1.113 129 H CA 1.468 56.894 56.048 -1.036 0.000 1.273 129 H CB -0.443 28.100 29.762 -2.032 0.000 1.371 129 H HN 0.562 nan 8.280 nan 0.000 0.528 130 D N -0.413 119.845 120.400 -0.236 0.000 2.378 130 D HA 0.013 4.654 4.640 0.001 0.000 0.227 130 D C 1.738 178.327 176.300 0.480 0.000 1.012 130 D CA 0.809 55.018 54.000 0.349 0.000 0.905 130 D CB -0.627 40.575 40.800 0.671 0.000 0.895 130 D HN 0.427 nan 8.370 nan 0.000 0.532 131 G N -0.114 108.887 108.800 0.334 0.000 2.175 131 G HA2 -0.328 3.633 3.960 0.001 0.000 0.265 131 G HA3 -0.328 3.633 3.960 0.001 0.000 0.265 131 G C -0.033 175.217 174.900 0.584 0.000 0.979 131 G CA 0.225 45.590 45.100 0.441 0.000 0.663 131 G HN 0.468 nan 8.290 nan 0.000 0.533 132 F N 1.764 121.961 119.950 0.412 0.000 2.456 132 F HA 0.543 5.071 4.527 0.001 0.000 0.358 132 F C 0.809 176.653 175.800 0.075 0.000 1.095 132 F CA -0.926 57.104 58.000 0.050 0.000 1.216 132 F CB 0.516 39.335 39.000 -0.302 0.000 1.125 132 F HN 0.174 nan 8.300 nan 0.000 0.549 133 C N 7.621 126.468 119.300 -0.754 0.000 2.319 133 C HA 0.346 4.806 4.460 0.001 0.000 0.335 133 C C 0.952 175.637 174.990 -0.509 0.000 1.274 133 C CA -1.024 57.728 59.018 -0.443 0.000 1.806 133 C CB 0.285 27.638 27.740 -0.645 0.000 2.329 133 C HN 0.757 nan 8.230 nan 0.000 0.524 134 L N 2.525 123.782 121.223 0.057 0.000 2.888 134 L HA 0.262 4.603 4.340 0.001 0.000 0.237 134 L C -0.202 176.847 176.870 0.298 0.000 1.288 134 L CA 0.140 55.037 54.840 0.094 0.000 1.110 134 L CB -0.952 41.211 42.059 0.173 0.000 1.441 134 L HN 0.886 nan 8.230 nan 0.000 0.474 135 W N -2.156 119.134 121.300 -0.016 0.000 3.074 135 W HA 0.612 5.272 4.660 0.001 0.000 0.332 135 W C 0.034 176.581 176.519 0.047 0.000 1.253 135 W CA -1.283 56.112 57.345 0.084 0.000 1.180 135 W CB 0.776 30.379 29.460 0.237 0.000 1.445 135 W HN -0.087 nan 8.180 nan 0.000 0.573 136 G N 2.196 111.046 108.800 0.084 0.000 3.213 136 G HA2 0.304 4.265 3.960 0.001 0.000 0.263 136 G HA3 0.304 4.265 3.960 0.001 0.000 0.263 136 G C 0.077 174.795 174.900 -0.304 0.000 0.829 136 G CA 0.155 45.174 45.100 -0.136 0.000 1.983 136 G HN 0.637 nan 8.290 nan 0.000 0.616 137 T N -0.021 114.019 114.554 -0.857 0.000 2.906 137 T HA 0.094 4.445 4.350 0.001 0.000 0.320 137 T C 1.556 176.052 174.700 -0.340 0.000 1.088 137 T CA 0.184 61.891 62.100 -0.655 0.000 1.120 137 T CB 0.392 68.684 68.868 -0.961 0.000 1.000 137 T HN 0.598 nan 8.240 nan 0.000 0.550 138 K N 2.867 123.023 120.400 -0.408 0.000 2.437 138 K HA 0.132 4.453 4.320 0.001 0.000 0.205 138 K C 0.230 176.570 176.600 -0.432 0.000 1.026 138 K CA 0.095 56.122 56.287 -0.433 0.000 1.153 138 K CB 0.181 32.401 32.500 -0.467 0.000 0.863 138 K HN 0.716 nan 8.250 nan 0.000 0.502 139 Y N 0.241 120.592 120.300 0.085 0.000 2.445 139 Y HA 0.181 4.732 4.550 0.001 0.000 0.247 139 Y C 0.586 176.645 175.900 0.266 0.000 1.129 139 Y CA -0.590 57.637 58.100 0.212 0.000 1.251 139 Y CB 1.671 40.307 38.460 0.294 0.000 1.176 139 Y HN 0.053 nan 8.280 nan 0.000 0.522 140 T N -1.077 113.624 114.554 0.245 0.000 2.894 140 T HA 0.195 4.546 4.350 0.001 0.000 0.309 140 T C -0.578 174.158 174.700 0.060 0.000 1.208 140 T CA -0.513 61.697 62.100 0.183 0.000 1.016 140 T CB 1.429 70.468 68.868 0.285 0.000 1.192 140 T HN -0.103 nan 8.240 nan 0.000 0.491 141 D N 1.276 121.726 120.400 0.083 0.000 2.350 141 D HA 0.185 4.825 4.640 0.001 0.000 0.213 141 D C 0.120 176.514 176.300 0.156 0.000 1.031 141 D CA 0.218 54.262 54.000 0.073 0.000 0.861 141 D CB 0.046 40.887 40.800 0.068 0.000 0.926 141 D HN 0.357 nan 8.370 nan 0.000 0.520 142 F N 2.641 122.585 119.950 -0.010 0.000 2.626 142 F HA 0.216 4.743 4.527 0.001 0.000 0.353 142 F C 0.016 175.665 175.800 -0.251 0.000 1.230 142 F CA -0.789 57.244 58.000 0.055 0.000 1.298 142 F CB -0.992 38.095 39.000 0.144 0.000 1.670 142 F HN -0.135 nan 8.300 nan 0.000 0.633 143 N N -1.537 116.951 118.700 -0.352 0.000 2.647 143 N HA 0.218 4.959 4.740 0.001 0.000 0.266 143 N C 0.268 175.489 175.510 -0.481 0.000 1.373 143 N CA -0.257 52.318 53.050 -0.792 0.000 0.807 143 N CB 0.825 38.988 38.487 -0.539 0.000 1.513 143 N HN -0.088 nan 8.380 nan 0.000 0.505 144 S N -1.009 114.416 115.700 -0.459 0.000 2.507 144 S HA -0.073 4.397 4.470 0.001 0.000 0.235 144 S C 1.218 175.762 174.600 -0.092 0.000 0.988 144 S CA 0.750 58.892 58.200 -0.097 0.000 0.944 144 S CB -0.528 62.594 63.200 -0.129 0.000 0.762 144 S HN 0.370 nan 8.310 nan 0.000 0.526 145 V N 1.465 121.317 119.914 -0.103 0.000 2.535 145 V HA 0.063 4.184 4.120 0.001 0.000 0.246 145 V C 2.461 178.531 176.094 -0.040 0.000 1.045 145 V CA 1.246 63.512 62.300 -0.056 0.000 1.058 145 V CB -0.292 31.502 31.823 -0.049 0.000 0.689 145 V HN 0.454 nan 8.190 nan 0.000 0.461 146 K N -0.537 119.839 120.400 -0.039 0.000 2.323 146 K HA 0.164 4.484 4.320 0.001 0.000 0.197 146 K C 0.981 177.596 176.600 0.025 0.000 1.043 146 K CA 0.289 56.574 56.287 -0.004 0.000 0.997 146 K CB 0.330 32.833 32.500 0.005 0.000 0.807 146 K HN 0.305 nan 8.250 nan 0.000 0.497 147 R N -0.615 119.914 120.500 0.049 0.000 3.228 147 R HA 0.323 4.663 4.340 0.001 0.000 0.229 147 R C 1.248 177.548 176.300 -0.000 0.000 1.583 147 R CA -0.073 56.064 56.100 0.062 0.000 1.035 147 R CB -0.800 29.591 30.300 0.151 0.000 1.696 147 R HN 0.117 nan 8.270 nan 0.000 0.523 148 G N 1.863 110.636 108.800 -0.046 0.000 3.087 148 G HA2 -0.339 3.622 3.960 0.001 0.000 0.316 148 G HA3 -0.339 3.622 3.960 0.001 0.000 0.316 148 G C -1.312 173.463 174.900 -0.208 0.000 0.941 148 G CA 1.416 46.427 45.100 -0.147 0.000 0.798 148 G HN 0.456 nan 8.290 nan 0.000 1.045 149 P HA 0.005 nan 4.420 nan 0.000 0.218 149 P C 0.637 177.840 177.300 -0.162 0.000 1.146 149 P CA 1.582 64.477 63.100 -0.342 0.000 0.813 149 P CB 0.004 31.378 31.700 -0.544 0.000 0.778 150 K N -0.926 119.406 120.400 -0.113 0.000 3.148 150 K HA -0.200 4.120 4.320 0.001 0.000 0.267 150 K C 0.104 176.682 176.600 -0.036 0.000 0.996 150 K CA 0.878 57.132 56.287 -0.055 0.000 0.737 150 K CB -1.770 30.708 32.500 -0.036 0.000 1.308 150 K HN 0.427 nan 8.250 nan 0.000 0.470 151 R N 0.304 120.775 120.500 -0.049 0.000 2.680 151 R HA 0.162 4.502 4.340 0.001 0.000 0.269 151 R C -1.523 174.790 176.300 0.021 0.000 1.026 151 R CA -0.719 55.385 56.100 0.006 0.000 0.889 151 R CB 1.248 31.564 30.300 0.026 0.000 1.241 151 R HN 0.024 nan 8.270 nan 0.000 0.463 152 D N 4.734 125.193 120.400 0.097 0.000 2.483 152 D HA 0.115 4.756 4.640 0.001 0.000 0.220 152 D C 1.113 177.520 176.300 0.177 0.000 1.173 152 D CA -0.124 53.971 54.000 0.159 0.000 0.964 152 D CB 0.414 41.345 40.800 0.219 0.000 1.046 152 D HN 0.535 nan 8.370 nan 0.000 0.517 153 L N 2.369 123.650 121.223 0.098 0.000 1.989 153 L HA -0.206 4.135 4.340 0.001 0.000 0.211 153 L C 2.432 179.450 176.870 0.247 0.000 1.071 153 L CA 0.779 55.664 54.840 0.076 0.000 0.749 153 L CB -0.633 41.334 42.059 -0.153 0.000 0.890 153 L HN 0.250 nan 8.230 nan 0.000 0.431 154 V N 0.669 120.713 119.914 0.216 0.000 2.252 154 V HA -0.277 3.844 4.120 0.001 0.000 0.249 154 V C 2.675 178.689 176.094 -0.133 0.000 1.056 154 V CA 2.280 64.663 62.300 0.139 0.000 1.022 154 V CB -1.486 30.354 31.823 0.028 0.000 0.641 154 V HN 0.600 nan 8.190 nan 0.000 0.445 155 G N -0.708 107.972 108.800 -0.200 0.000 2.418 155 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 155 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 155 G C 1.226 176.103 174.900 -0.038 0.000 1.158 155 G CA 1.091 46.095 45.100 -0.160 0.000 0.771 155 G HN 0.515 nan 8.290 nan 0.000 0.545 156 D N -0.217 120.244 120.400 0.101 0.000 2.144 156 D HA -0.072 4.568 4.640 0.001 0.000 0.199 156 D C 2.284 178.617 176.300 0.055 0.000 0.984 156 D CA 0.387 54.450 54.000 0.105 0.000 0.834 156 D CB -0.176 40.773 40.800 0.248 0.000 0.955 156 D HN 0.245 nan 8.370 nan 0.000 0.465 157 L N 0.235 121.573 121.223 0.191 0.000 2.156 157 L HA 0.122 4.463 4.340 0.001 0.000 0.208 157 L C 1.935 178.696 176.870 -0.181 0.000 1.095 157 L CA 1.186 56.132 54.840 0.177 0.000 0.770 157 L CB -0.623 41.754 42.059 0.531 0.000 0.914 157 L HN -0.039 nan 8.230 nan 0.000 0.439 158 A N -0.496 121.951 122.820 -0.621 0.000 1.898 158 A HA -0.234 4.086 4.320 0.001 0.000 0.216 158 A C 2.435 179.728 177.584 -0.486 0.000 1.181 158 A CA 1.831 53.125 52.037 -1.238 0.000 0.620 158 A CB -0.545 17.645 19.000 -1.351 0.000 0.819 158 A HN 0.460 nan 8.150 nan 0.000 0.442 159 K N -0.369 119.874 120.400 -0.261 0.000 2.009 159 K HA -0.139 4.182 4.320 0.001 0.000 0.210 159 K C 2.235 178.767 176.600 -0.113 0.000 1.049 159 K CA 1.331 57.538 56.287 -0.133 0.000 0.929 159 K CB -0.342 32.109 32.500 -0.081 0.000 0.714 159 K HN 0.383 nan 8.250 nan 0.000 0.440 160 A N 0.501 123.251 122.820 -0.117 0.000 1.858 160 A HA -0.133 4.188 4.320 0.001 0.000 0.216 160 A C 2.266 179.831 177.584 -0.031 0.000 1.190 160 A CA 1.796 53.779 52.037 -0.089 0.000 0.617 160 A CB -0.774 18.150 19.000 -0.127 0.000 0.827 160 A HN 0.181 nan 8.150 nan 0.000 0.443 161 V N -0.203 119.716 119.914 0.009 0.000 2.343 161 V HA -0.278 3.842 4.120 0.001 0.000 0.247 161 V C 2.664 178.788 176.094 0.050 0.000 1.051 161 V CA 2.375 64.737 62.300 0.104 0.000 1.036 161 V CB -0.819 31.137 31.823 0.223 0.000 0.654 161 V HN 0.521 nan 8.190 nan 0.000 0.451 162 R N -0.217 120.276 120.500 -0.013 0.000 2.081 162 R HA -0.154 4.186 4.340 0.001 0.000 0.235 162 R C 2.312 178.602 176.300 -0.016 0.000 1.131 162 R CA 1.606 57.699 56.100 -0.012 0.000 0.960 162 R CB -0.256 30.021 30.300 -0.038 0.000 0.856 162 R HN 0.621 nan 8.270 nan 0.000 0.436 163 E N 0.019 120.202 120.200 -0.028 0.000 2.153 163 E HA -0.146 4.205 4.350 0.001 0.000 0.194 163 E C 1.601 178.191 176.600 -0.017 0.000 0.988 163 E CA 1.048 57.431 56.400 -0.028 0.000 0.811 163 E CB -0.020 29.656 29.700 -0.040 0.000 0.746 163 E HN 0.351 nan 8.360 nan 0.000 0.466 164 A N 0.352 123.169 122.820 -0.004 0.000 2.239 164 A HA 0.177 4.497 4.320 0.001 0.000 0.209 164 A C 1.754 179.344 177.584 0.010 0.000 1.171 164 A CA 0.832 52.873 52.037 0.007 0.000 0.768 164 A CB -0.526 18.493 19.000 0.032 0.000 0.790 164 A HN 0.341 nan 8.150 nan 0.000 0.478 165 G N -1.608 107.194 108.800 0.003 0.000 2.148 165 G HA2 -0.222 3.738 3.960 0.001 0.000 0.254 165 G HA3 -0.222 3.738 3.960 0.001 0.000 0.254 165 G C 0.053 174.953 174.900 0.000 0.000 0.981 165 G CA 0.484 45.581 45.100 -0.005 0.000 0.670 165 G HN 0.461 nan 8.290 nan 0.000 0.528 166 L N 0.046 121.287 121.223 0.030 0.000 2.375 166 L HA 0.652 4.992 4.340 0.001 0.000 0.268 166 L C 1.126 178.022 176.870 0.044 0.000 1.058 166 L CA -1.347 53.521 54.840 0.048 0.000 0.803 166 L CB 0.812 42.933 42.059 0.103 0.000 1.212 166 L HN -0.018 nan 8.230 nan 0.000 0.451 167 R N 0.779 121.283 120.500 0.007 0.000 2.582 167 R HA 0.337 4.678 4.340 0.001 0.000 0.271 167 R C -1.031 175.398 176.300 0.216 0.000 1.078 167 R CA -0.314 55.750 56.100 -0.059 0.000 1.127 167 R CB 0.909 30.917 30.300 -0.487 0.000 1.038 167 R HN 0.301 nan 8.270 nan 0.000 0.500 168 F N -0.120 119.870 119.950 0.067 0.000 2.507 168 F HA 0.580 5.108 4.527 0.001 0.000 0.325 168 F C -0.049 175.893 175.800 0.237 0.000 1.116 168 F CA -0.449 57.646 58.000 0.158 0.000 0.930 168 F CB 1.850 40.926 39.000 0.128 0.000 1.146 168 F HN 0.571 nan 8.300 nan 0.000 0.447 169 G N 3.124 111.694 108.800 -0.384 0.000 2.818 169 G HA2 0.673 4.634 3.960 0.001 0.000 0.286 169 G HA3 0.673 4.634 3.960 0.001 0.000 0.286 169 G C -1.854 172.771 174.900 -0.459 0.000 1.364 169 G CA -0.609 44.388 45.100 -0.172 0.000 0.938 169 G HN 1.068 nan 8.290 nan 0.000 0.490 170 V N -2.375 117.501 119.914 -0.063 0.000 2.925 170 V HA 0.778 4.898 4.120 0.001 0.000 0.311 170 V C -1.351 174.914 176.094 0.286 0.000 1.104 170 V CA -1.275 61.042 62.300 0.030 0.000 0.954 170 V CB 1.375 33.218 31.823 0.032 0.000 1.022 170 V HN 0.936 nan 8.190 nan 0.000 0.427 171 Y N 4.169 124.595 120.300 0.210 0.000 2.360 171 Y HA 0.784 5.335 4.550 0.001 0.000 0.337 171 Y C -1.473 174.585 175.900 0.263 0.000 1.039 171 Y CA -0.970 57.303 58.100 0.288 0.000 1.109 171 Y CB 1.945 40.502 38.460 0.162 0.000 1.201 171 Y HN 0.882 nan 8.280 nan 0.000 0.458 172 Y N 4.340 124.343 120.300 -0.496 0.000 2.361 172 Y HA 0.295 4.845 4.550 0.001 0.000 0.328 172 Y C -0.726 174.896 175.900 -0.464 0.000 1.044 172 Y CA -0.900 57.051 58.100 -0.248 0.000 1.085 172 Y CB 1.871 40.335 38.460 0.008 0.000 1.194 172 Y HN 0.625 nan 8.280 nan 0.000 0.438 173 S N 4.385 119.595 115.700 -0.817 0.000 3.900 173 S HA 0.193 4.664 4.470 0.001 0.000 0.248 173 S C 1.243 175.599 174.600 -0.407 0.000 1.310 173 S CA 0.508 58.404 58.200 -0.507 0.000 0.915 173 S CB -0.740 62.283 63.200 -0.295 0.000 1.588 173 S HN 1.060 nan 8.310 nan 0.000 0.472 174 G N 2.972 111.704 108.800 -0.112 0.000 2.402 174 G HA2 -0.061 3.900 3.960 0.001 0.000 0.216 174 G HA3 -0.061 3.900 3.960 0.001 0.000 0.216 174 G C 1.299 176.169 174.900 -0.050 0.000 1.162 174 G CA 0.545 45.667 45.100 0.035 0.000 0.777 174 G HN 0.718 nan 8.290 nan 0.000 0.539 175 G N -0.527 108.249 108.800 -0.039 0.000 2.572 175 G HA2 0.306 4.266 3.960 0.001 0.000 0.216 175 G HA3 0.306 4.266 3.960 0.001 0.000 0.216 175 G C 0.434 175.237 174.900 -0.162 0.000 1.133 175 G CA 0.064 45.126 45.100 -0.064 0.000 0.791 175 G HN 0.362 nan 8.290 nan 0.000 0.538 176 L N -0.019 121.066 121.223 -0.230 0.000 2.422 176 L HA 0.508 4.849 4.340 0.001 0.000 0.264 176 L C -1.796 174.858 176.870 -0.359 0.000 0.984 176 L CA -0.874 53.742 54.840 -0.374 0.000 0.819 176 L CB 2.902 44.579 42.059 -0.637 0.000 1.330 176 L HN -0.122 nan 8.230 nan 0.000 0.410 177 D N 1.694 121.873 120.400 -0.368 0.000 2.354 177 D HA 0.116 4.756 4.640 0.001 0.000 0.230 177 D C -0.004 176.333 176.300 0.061 0.000 1.361 177 D CA -0.340 53.574 54.000 -0.143 0.000 0.992 177 D CB 0.975 41.835 40.800 0.100 0.000 1.409 177 D HN 0.374 nan 8.370 nan 0.000 0.573 178 W N 2.552 123.887 121.300 0.058 0.000 2.721 178 W HA 0.034 4.694 4.660 0.001 0.000 0.245 178 W C 1.631 178.167 176.519 0.029 0.000 1.276 178 W CA -0.135 57.212 57.345 0.005 0.000 1.342 178 W CB -0.350 29.080 29.460 -0.049 0.000 1.135 178 W HN 0.335 nan 8.180 nan 0.000 0.654 179 R N -0.461 120.204 120.500 0.274 0.000 2.276 179 R HA -0.019 4.322 4.340 0.001 0.000 0.203 179 R C 0.751 176.974 176.300 -0.128 0.000 1.017 179 R CA 0.603 56.712 56.100 0.014 0.000 1.010 179 R CB -0.742 29.502 30.300 -0.094 0.000 0.900 179 R HN 0.190 nan 8.270 nan 0.000 0.469 180 F N -0.370 119.557 119.950 -0.038 0.000 2.654 180 F HA 0.153 4.681 4.527 0.001 0.000 0.303 180 F C 0.758 176.515 175.800 -0.072 0.000 1.099 180 F CA -0.236 57.712 58.000 -0.088 0.000 1.270 180 F CB 0.549 39.434 39.000 -0.190 0.000 1.024 180 F HN -0.210 nan 8.300 nan 0.000 0.548 181 T N -4.499 110.131 114.554 0.126 0.000 2.864 181 T HA 0.461 4.812 4.350 0.001 0.000 0.299 181 T C 0.570 175.278 174.700 0.014 0.000 1.166 181 T CA 0.110 62.245 62.100 0.059 0.000 1.007 181 T CB 2.081 70.981 68.868 0.053 0.000 1.219 181 T HN -0.018 nan 8.240 nan 0.000 0.506 182 T N -2.375 112.168 114.554 -0.019 0.000 3.058 182 T HA 0.294 4.644 4.350 0.001 0.000 0.247 182 T C 0.460 175.109 174.700 -0.084 0.000 0.987 182 T CA 0.103 62.175 62.100 -0.045 0.000 1.062 182 T CB -0.195 68.656 68.868 -0.028 0.000 1.048 182 T HN 0.603 nan 8.240 nan 0.000 0.468 183 E N 4.353 124.509 120.200 -0.073 0.000 2.360 183 E HA 0.382 4.733 4.350 0.001 0.000 0.269 183 E C -2.303 174.192 176.600 -0.175 0.000 1.022 183 E CA -2.219 54.124 56.400 -0.094 0.000 0.887 183 E CB 0.833 30.508 29.700 -0.041 0.000 0.990 183 E HN 0.351 nan 8.360 nan 0.000 0.426 184 P HA 0.225 nan 4.420 nan 0.000 0.280 184 P C -0.527 176.602 177.300 -0.286 0.000 1.272 184 P CA -0.530 62.381 63.100 -0.315 0.000 0.819 184 P CB 0.846 32.367 31.700 -0.298 0.000 1.122 185 I N 2.281 122.659 120.570 -0.320 0.000 2.352 185 I HA 0.207 4.378 4.170 0.001 0.000 0.290 185 I C 1.763 177.523 176.117 -0.595 0.000 1.036 185 I CA 0.062 61.098 61.300 -0.439 0.000 1.336 185 I CB 0.505 38.214 38.000 -0.485 0.000 1.407 185 I HN 0.452 nan 8.210 nan 0.000 0.497 186 R N 4.205 124.356 120.500 -0.580 0.000 2.221 186 R HA 0.202 4.542 4.340 0.001 0.000 0.195 186 R C -0.553 175.145 176.300 -1.003 0.000 0.956 186 R CA 0.433 56.030 56.100 -0.838 0.000 1.064 186 R CB 0.628 30.574 30.300 -0.590 0.000 1.049 186 R HN 0.469 nan 8.270 nan 0.000 0.534 187 Y N -1.245 118.915 120.300 -0.232 0.000 2.553 187 Y HA 0.270 4.821 4.550 0.001 0.000 0.347 187 Y C -1.946 173.903 175.900 -0.086 0.000 1.019 187 Y CA -2.619 55.485 58.100 0.008 0.000 1.032 187 Y CB 1.869 40.386 38.460 0.094 0.000 1.284 187 Y HN -0.209 nan 8.280 nan 0.000 0.466 188 P HA -0.188 nan 4.420 nan 0.000 0.217 188 P C 0.604 177.950 177.300 0.076 0.000 1.151 188 P CA 1.830 65.038 63.100 0.180 0.000 0.849 188 P CB 0.346 32.174 31.700 0.212 0.000 0.787 189 E N -0.730 119.541 120.200 0.118 0.000 2.209 189 E HA -0.180 4.171 4.350 0.001 0.000 0.196 189 E C 1.566 178.197 176.600 0.051 0.000 0.993 189 E CA 1.074 57.536 56.400 0.104 0.000 0.819 189 E CB -0.815 28.964 29.700 0.131 0.000 0.745 189 E HN 0.342 nan 8.360 nan 0.000 0.477 190 D N 0.296 120.659 120.400 -0.061 0.000 2.178 190 D HA -0.135 4.506 4.640 0.001 0.000 0.201 190 D C 1.729 177.734 176.300 -0.491 0.000 0.980 190 D CA 0.687 54.436 54.000 -0.419 0.000 0.842 190 D CB -0.173 40.409 40.800 -0.363 0.000 0.948 190 D HN 0.235 nan 8.370 nan 0.000 0.472 191 L N 1.100 122.180 121.223 -0.239 0.000 2.349 191 L HA -0.155 4.185 4.340 0.001 0.000 0.220 191 L C 2.307 179.106 176.870 -0.117 0.000 1.130 191 L CA 1.027 55.775 54.840 -0.153 0.000 0.791 191 L CB -0.449 41.585 42.059 -0.042 0.000 0.918 191 L HN 0.078 nan 8.230 nan 0.000 0.444 192 S N -0.760 114.887 115.700 -0.087 0.000 2.496 192 S HA -0.120 4.350 4.470 0.001 0.000 0.224 192 S C 1.489 176.129 174.600 0.066 0.000 0.996 192 S CA 0.535 58.747 58.200 0.020 0.000 0.927 192 S CB -0.116 63.144 63.200 0.100 0.000 0.774 192 S HN 0.661 nan 8.310 nan 0.000 0.524 193 Y N -0.594 119.700 120.300 -0.011 0.000 2.437 193 Y HA 0.571 5.121 4.550 0.001 0.000 0.266 193 Y C 0.252 176.137 175.900 -0.025 0.000 1.077 193 Y CA -1.150 56.940 58.100 -0.017 0.000 1.235 193 Y CB 0.241 38.694 38.460 -0.010 0.000 1.303 193 Y HN 0.111 nan 8.280 nan 0.000 0.536 194 I N 4.525 124.832 120.570 -0.438 0.000 2.313 194 I HA 0.431 4.601 4.170 0.001 0.000 0.286 194 I C -0.525 175.493 176.117 -0.165 0.000 1.091 194 I CA -0.271 60.865 61.300 -0.273 0.000 1.216 194 I CB 0.036 37.818 38.000 -0.362 0.000 1.434 194 I HN 0.149 nan 8.210 nan 0.000 0.487 195 R N 4.619 125.047 120.500 -0.120 0.000 2.752 195 R HA 0.369 4.710 4.340 0.001 0.000 0.271 195 R C -2.203 173.984 176.300 -0.189 0.000 1.026 195 R CA -1.666 54.337 56.100 -0.162 0.000 0.901 195 R CB 0.676 30.887 30.300 -0.149 0.000 1.243 195 R HN -0.023 nan 8.270 nan 0.000 0.463 196 P HA -0.149 nan 4.420 nan 0.000 0.216 196 P C -0.015 177.179 177.300 -0.178 0.000 1.153 196 P CA 1.362 64.212 63.100 -0.417 0.000 0.858 196 P CB 0.267 31.197 31.700 -1.284 0.000 0.789 197 N N -3.609 114.999 118.700 -0.154 0.000 2.927 197 N HA -0.139 4.601 4.740 0.001 0.000 0.220 197 N C 0.200 175.652 175.510 -0.097 0.000 0.845 197 N CA 1.966 54.962 53.050 -0.090 0.000 1.089 197 N CB -2.254 36.204 38.487 -0.047 0.000 0.994 197 N HN 0.376 nan 8.380 nan 0.000 0.616 198 T N -2.665 111.866 114.554 -0.038 0.000 2.882 198 T HA 0.402 4.752 4.350 0.001 0.000 0.287 198 T C 1.288 175.972 174.700 -0.027 0.000 1.014 198 T CA -0.331 61.773 62.100 0.006 0.000 1.049 198 T CB 0.738 69.679 68.868 0.122 0.000 1.001 198 T HN 0.115 nan 8.240 nan 0.000 0.525 199 Y N 0.099 120.431 120.300 0.053 0.000 2.263 199 Y HA -0.007 4.543 4.550 0.001 0.000 0.292 199 Y C 2.820 178.743 175.900 0.037 0.000 1.130 199 Y CA 1.561 59.681 58.100 0.033 0.000 1.179 199 Y CB -0.231 38.243 38.460 0.023 0.000 0.998 199 Y HN 0.902 nan 8.280 nan 0.000 0.532 200 E N -0.318 120.021 120.200 0.232 0.000 2.130 200 E HA -0.329 4.021 4.350 0.001 0.000 0.196 200 E C 1.956 178.652 176.600 0.160 0.000 0.998 200 E CA 1.607 58.120 56.400 0.188 0.000 0.806 200 E CB -0.503 29.320 29.700 0.205 0.000 0.738 200 E HN 0.595 nan 8.360 nan 0.000 0.459 201 Y N 0.770 121.049 120.300 -0.035 0.000 2.200 201 Y HA -0.050 4.501 4.550 0.001 0.000 0.290 201 Y C 2.212 178.029 175.900 -0.138 0.000 1.137 201 Y CA 1.492 59.436 58.100 -0.260 0.000 1.163 201 Y CB -0.673 37.429 38.460 -0.596 0.000 0.988 201 Y HN 0.154 nan 8.280 nan 0.000 0.518 202 A N 0.241 122.924 122.820 -0.228 0.000 1.908 202 A HA -0.225 4.096 4.320 0.001 0.000 0.218 202 A C 1.970 179.471 177.584 -0.139 0.000 1.181 202 A CA 2.146 54.020 52.037 -0.272 0.000 0.627 202 A CB -0.894 18.052 19.000 -0.089 0.000 0.818 202 A HN 0.532 nan 8.150 nan 0.000 0.445 203 D N -1.758 118.628 120.400 -0.023 0.000 2.097 203 D HA -0.155 4.486 4.640 0.001 0.000 0.195 203 D C 1.703 178.024 176.300 0.036 0.000 0.989 203 D CA 1.597 55.627 54.000 0.049 0.000 0.827 203 D CB -0.528 40.307 40.800 0.058 0.000 0.966 203 D HN 0.570 nan 8.370 nan 0.000 0.456 204 Y N 1.787 121.988 120.300 -0.164 0.000 2.081 204 Y HA -0.275 4.276 4.550 0.001 0.000 0.280 204 Y C 2.270 178.057 175.900 -0.187 0.000 1.163 204 Y CA 2.002 60.000 58.100 -0.171 0.000 1.135 204 Y CB -0.693 37.726 38.460 -0.068 0.000 0.970 204 Y HN -0.041 nan 8.280 nan 0.000 0.498 205 A N -0.499 122.055 122.820 -0.444 0.000 1.908 205 A HA -0.281 4.039 4.320 0.001 0.000 0.218 205 A C 2.216 179.768 177.584 -0.054 0.000 1.181 205 A CA 1.905 53.686 52.037 -0.428 0.000 0.627 205 A CB -1.719 16.724 19.000 -0.928 0.000 0.818 205 A HN 0.736 nan 8.150 nan 0.000 0.445 206 Y N 0.843 121.136 120.300 -0.011 0.000 2.114 206 Y HA -0.205 4.346 4.550 0.001 0.000 0.284 206 Y C 2.237 178.096 175.900 -0.070 0.000 1.143 206 Y CA 2.329 60.496 58.100 0.113 0.000 1.135 206 Y CB -0.257 38.239 38.460 0.060 0.000 0.980 206 Y HN 0.275 nan 8.280 nan 0.000 0.499 207 K N -0.264 120.012 120.400 -0.206 0.000 2.148 207 K HA -0.184 4.137 4.320 0.001 0.000 0.204 207 K C 2.120 178.575 176.600 -0.241 0.000 1.050 207 K CA 1.557 57.612 56.287 -0.386 0.000 0.942 207 K CB -0.185 31.878 32.500 -0.728 0.000 0.724 207 K HN 0.525 nan 8.250 nan 0.000 0.446 208 Q N 0.305 119.959 119.800 -0.244 0.000 2.123 208 Q HA -0.071 4.269 4.340 0.001 0.000 0.199 208 Q C 2.155 178.053 176.000 -0.169 0.000 0.966 208 Q CA 0.916 56.695 55.803 -0.041 0.000 0.845 208 Q CB 0.187 28.868 28.738 -0.096 0.000 0.907 208 Q HN 0.100 nan 8.270 nan 0.000 0.439 209 V N 0.665 120.370 119.914 -0.348 0.000 2.453 209 V HA -0.237 3.884 4.120 0.001 0.000 0.247 209 V C 2.253 178.224 176.094 -0.205 0.000 1.048 209 V CA 1.092 63.214 62.300 -0.296 0.000 1.049 209 V CB -0.347 31.366 31.823 -0.183 0.000 0.672 209 V HN 0.396 nan 8.190 nan 0.000 0.457 210 M N -0.089 119.337 119.600 -0.290 0.000 2.082 210 M HA -0.226 4.255 4.480 0.001 0.000 0.258 210 M C 2.227 178.489 176.300 -0.063 0.000 1.069 210 M CA 1.981 57.120 55.300 -0.268 0.000 1.102 210 M CB -1.189 31.107 32.600 -0.506 0.000 1.336 210 M HN 0.538 nan 8.290 nan 0.000 0.404 211 E N 0.042 120.240 120.200 -0.004 0.000 2.110 211 E HA -0.176 4.175 4.350 0.001 0.000 0.193 211 E C 2.137 178.719 176.600 -0.029 0.000 0.988 211 E CA 0.910 57.365 56.400 0.091 0.000 0.804 211 E CB -0.009 29.886 29.700 0.325 0.000 0.745 211 E HN 0.481 nan 8.360 nan 0.000 0.458 212 L N 0.258 121.414 121.223 -0.113 0.000 2.056 212 L HA -0.161 4.180 4.340 0.001 0.000 0.207 212 L C 2.551 179.423 176.870 0.003 0.000 1.078 212 L CA 0.695 55.444 54.840 -0.151 0.000 0.749 212 L CB -0.329 41.592 42.059 -0.230 0.000 0.901 212 L HN 0.101 nan 8.230 nan 0.000 0.433 213 V N -0.123 119.817 119.914 0.044 0.000 2.255 213 V HA -0.334 3.786 4.120 0.001 0.000 0.247 213 V C 2.145 178.315 176.094 0.126 0.000 1.051 213 V CA 2.115 64.517 62.300 0.169 0.000 1.018 213 V CB -0.560 31.419 31.823 0.261 0.000 0.641 213 V HN 0.426 nan 8.190 nan 0.000 0.445 214 D N -0.035 120.423 120.400 0.098 0.000 2.123 214 D HA -0.126 4.514 4.640 0.001 0.000 0.196 214 D C 2.055 178.310 176.300 -0.075 0.000 0.992 214 D CA 1.346 55.380 54.000 0.057 0.000 0.833 214 D CB -0.223 40.625 40.800 0.080 0.000 0.954 214 D HN 0.363 nan 8.370 nan 0.000 0.455 215 L N -1.453 119.616 121.223 -0.256 0.000 2.270 215 L HA -0.041 4.300 4.340 0.001 0.000 0.210 215 L C 1.144 177.591 176.870 -0.705 0.000 1.104 215 L CA 0.779 55.266 54.840 -0.590 0.000 0.804 215 L CB -0.016 41.417 42.059 -1.043 0.000 0.937 215 L HN 0.113 nan 8.230 nan 0.000 0.450 216 Y N -2.697 117.652 120.300 0.081 0.000 2.666 216 Y HA 0.268 4.818 4.550 0.001 0.000 0.260 216 Y C 0.317 176.311 175.900 0.157 0.000 1.089 216 Y CA -1.096 57.075 58.100 0.119 0.000 1.246 216 Y CB 0.606 39.184 38.460 0.197 0.000 1.353 216 Y HN -0.213 nan 8.280 nan 0.000 0.558 217 L N 2.639 124.008 121.223 0.243 0.000 3.995 217 L HA -0.191 4.150 4.340 0.001 0.000 0.513 217 L C -2.780 174.309 176.870 0.365 0.000 1.147 217 L CA -0.560 54.433 54.840 0.255 0.000 0.703 217 L CB -1.116 40.984 42.059 0.069 0.000 1.306 217 L HN -0.022 nan 8.230 nan 0.000 0.779 218 P HA 0.089 nan 4.420 nan 0.000 0.269 218 P C 0.549 178.222 177.300 0.621 0.000 1.215 218 P CA -0.060 63.327 63.100 0.478 0.000 0.780 218 P CB 0.498 32.387 31.700 0.316 0.000 0.898 219 D N -0.234 120.482 120.400 0.527 0.000 2.277 219 D HA 0.025 4.666 4.640 0.001 0.000 0.208 219 D C 0.167 176.853 176.300 0.644 0.000 0.962 219 D CA 1.179 55.554 54.000 0.625 0.000 0.865 219 D CB 0.333 41.349 40.800 0.360 0.000 0.939 219 D HN 0.091 nan 8.370 nan 0.000 0.510 220 V N 1.297 121.511 119.914 0.500 0.000 2.733 220 V HA 0.278 4.398 4.120 0.001 0.000 0.306 220 V C -0.422 175.877 176.094 0.342 0.000 1.084 220 V CA -0.729 61.837 62.300 0.444 0.000 0.905 220 V CB 2.889 34.988 31.823 0.460 0.000 1.010 220 V HN -0.106 nan 8.190 nan 0.000 0.424 221 L N 3.478 124.861 121.223 0.267 0.000 2.283 221 L HA 0.414 4.754 4.340 0.001 0.000 0.281 221 L C -1.097 175.977 176.870 0.340 0.000 1.033 221 L CA -0.031 54.945 54.840 0.228 0.000 0.848 221 L CB 1.046 43.144 42.059 0.065 0.000 1.226 221 L HN 0.740 nan 8.230 nan 0.000 0.429 222 W N 4.936 126.303 121.300 0.111 0.000 2.295 222 W HA 0.266 4.927 4.660 0.001 0.000 0.333 222 W C 0.402 176.762 176.519 -0.265 0.000 0.990 222 W CA -0.301 57.062 57.345 0.029 0.000 1.453 222 W CB 0.979 30.587 29.460 0.246 0.000 1.263 222 W HN 0.439 nan 8.180 nan 0.000 0.380 223 N N 2.859 121.235 118.700 -0.539 0.000 2.463 223 N HA 0.239 4.979 4.740 0.001 0.000 0.270 223 N C -1.186 174.048 175.510 -0.460 0.000 1.205 223 N CA 0.211 52.836 53.050 -0.708 0.000 0.974 223 N CB 1.044 38.554 38.487 -1.628 0.000 1.197 223 N HN 0.284 nan 8.380 nan 0.000 0.504 224 D N 0.877 121.090 120.400 -0.312 0.000 2.661 224 D HA 0.357 4.997 4.640 0.001 0.000 0.228 224 D C -0.392 175.892 176.300 -0.027 0.000 1.183 224 D CA -0.157 53.797 54.000 -0.077 0.000 0.844 224 D CB 0.877 41.750 40.800 0.120 0.000 1.555 224 D HN 0.514 nan 8.370 nan 0.000 0.453 225 M N 0.816 120.440 119.600 0.039 0.000 2.872 225 M HA -0.109 4.372 4.480 0.001 0.000 0.200 225 M C 0.593 176.905 176.300 0.020 0.000 0.582 225 M CA 1.176 56.495 55.300 0.032 0.000 0.706 225 M CB -2.489 30.096 32.600 -0.024 0.000 2.560 225 M HN 0.912 nan 8.290 nan 0.000 0.476 226 G N -0.312 108.503 108.800 0.024 0.000 2.860 226 G HA2 -0.207 3.754 3.960 0.001 0.000 0.553 226 G HA3 -0.207 3.754 3.960 0.001 0.000 0.553 226 G C -0.693 174.353 174.900 0.243 0.000 1.439 226 G CA -0.095 45.069 45.100 0.108 0.000 0.879 226 G HN 0.680 nan 8.290 nan 0.000 0.545 227 W N 0.925 122.288 121.300 0.106 0.000 2.551 227 W HA 0.547 5.208 4.660 0.001 0.000 0.330 227 W C -2.079 174.513 176.519 0.121 0.000 1.063 227 W CA -1.970 55.472 57.345 0.162 0.000 1.222 227 W CB 1.842 31.465 29.460 0.272 0.000 1.349 227 W HN 0.498 nan 8.180 nan 0.000 0.536 228 P HA -0.144 nan 4.420 nan 0.000 0.259 228 P C 0.552 177.872 177.300 0.034 0.000 1.163 228 P CA 0.878 63.894 63.100 -0.140 0.000 0.760 228 P CB 0.594 32.124 31.700 -0.283 0.000 0.762 229 E N 3.480 123.703 120.200 0.039 0.000 2.130 229 E HA -0.234 4.116 4.350 0.001 0.000 0.196 229 E C 1.212 177.850 176.600 0.063 0.000 0.998 229 E CA 1.706 58.148 56.400 0.070 0.000 0.806 229 E CB -0.257 29.459 29.700 0.026 0.000 0.738 229 E HN 0.400 nan 8.360 nan 0.000 0.459 230 K N -1.541 118.843 120.400 -0.026 0.000 2.362 230 K HA 0.011 4.332 4.320 0.001 0.000 0.200 230 K C 1.657 178.302 176.600 0.076 0.000 1.046 230 K CA 0.918 57.178 56.287 -0.044 0.000 0.952 230 K CB 0.141 32.460 32.500 -0.302 0.000 0.753 230 K HN 0.170 nan 8.250 nan 0.000 0.466 231 G N 0.533 109.424 108.800 0.152 0.000 3.044 231 G HA2 -0.032 3.928 3.960 0.001 0.000 0.223 231 G HA3 -0.032 3.928 3.960 0.001 0.000 0.223 231 G C 0.919 176.094 174.900 0.460 0.000 1.123 231 G CA -0.280 45.011 45.100 0.319 0.000 0.765 231 G HN 0.067 nan 8.290 nan 0.000 0.546 232 K N 0.689 121.339 120.400 0.417 0.000 2.077 232 K HA -0.149 4.172 4.320 0.001 0.000 0.213 232 K C 2.064 178.776 176.600 0.186 0.000 1.051 232 K CA 1.438 57.907 56.287 0.303 0.000 0.929 232 K CB 0.031 32.678 32.500 0.244 0.000 0.715 232 K HN 0.128 nan 8.250 nan 0.000 0.451 233 E N 0.793 121.091 120.200 0.164 0.000 2.338 233 E HA -0.149 4.201 4.350 0.001 0.000 0.197 233 E C 1.280 177.860 176.600 -0.033 0.000 1.007 233 E CA 0.874 57.323 56.400 0.081 0.000 0.849 233 E CB -0.085 29.663 29.700 0.081 0.000 0.774 233 E HN 0.306 nan 8.360 nan 0.000 0.506 234 D N 0.452 120.854 120.400 0.004 0.000 2.219 234 D HA -0.084 4.556 4.640 0.001 0.000 0.205 234 D C 1.971 178.169 176.300 -0.169 0.000 0.970 234 D CA 0.397 54.383 54.000 -0.023 0.000 0.851 234 D CB -0.138 40.623 40.800 -0.065 0.000 0.943 234 D HN 0.214 nan 8.370 nan 0.000 0.488 235 L N 0.487 121.454 121.223 -0.427 0.000 2.265 235 L HA -0.128 4.213 4.340 0.001 0.000 0.215 235 L C 2.183 178.462 176.870 -0.985 0.000 1.117 235 L CA 0.902 55.170 54.840 -0.954 0.000 0.782 235 L CB -0.286 41.079 42.059 -1.157 0.000 0.914 235 L HN 0.013 nan 8.230 nan 0.000 0.441 236 K N -0.250 119.619 120.400 -0.884 0.000 2.025 236 K HA -0.165 4.156 4.320 0.001 0.000 0.207 236 K C 2.110 178.234 176.600 -0.793 0.000 1.049 236 K CA 1.567 57.187 56.287 -1.113 0.000 0.933 236 K CB -0.361 31.261 32.500 -1.464 0.000 0.714 236 K HN 0.217 nan 8.250 nan 0.000 0.438 237 Y N 1.411 121.520 120.300 -0.319 0.000 2.145 237 Y HA -0.217 4.334 4.550 0.001 0.000 0.286 237 Y C 2.431 178.283 175.900 -0.079 0.000 1.145 237 Y CA 0.981 58.992 58.100 -0.148 0.000 1.148 237 Y CB -0.417 37.981 38.460 -0.103 0.000 0.981 237 Y HN 0.022 nan 8.280 nan 0.000 0.507 238 L N -0.879 120.317 121.223 -0.045 0.000 2.046 238 L HA -0.216 4.125 4.340 0.001 0.000 0.208 238 L C 2.104 178.952 176.870 -0.038 0.000 1.077 238 L CA 1.484 56.274 54.840 -0.084 0.000 0.747 238 L CB -0.426 41.466 42.059 -0.279 0.000 0.896 238 L HN 0.229 nan 8.230 nan 0.000 0.432 239 F N -0.305 119.436 119.950 -0.347 0.000 2.146 239 F HA -0.203 4.324 4.527 0.001 0.000 0.298 239 F C 2.662 178.231 175.800 -0.386 0.000 1.096 239 F CA 0.362 58.026 58.000 -0.560 0.000 1.275 239 F CB -0.402 38.239 39.000 -0.599 0.000 1.008 239 F HN 0.240 nan 8.300 nan 0.000 0.480 240 A N -0.283 122.546 122.820 0.016 0.000 1.902 240 A HA -0.279 4.042 4.320 0.001 0.000 0.217 240 A C 1.891 179.595 177.584 0.201 0.000 1.181 240 A CA 1.490 53.602 52.037 0.125 0.000 0.623 240 A CB -1.370 17.678 19.000 0.080 0.000 0.818 240 A HN 0.520 nan 8.150 nan 0.000 0.443 241 Y N -1.211 119.131 120.300 0.071 0.000 2.145 241 Y HA -0.287 4.263 4.550 0.001 0.000 0.286 241 Y C 2.251 178.228 175.900 0.129 0.000 1.145 241 Y CA 2.093 60.251 58.100 0.097 0.000 1.148 241 Y CB -0.690 37.816 38.460 0.077 0.000 0.981 241 Y HN 0.456 nan 8.280 nan 0.000 0.507 242 Y N -0.930 119.395 120.300 0.043 0.000 2.145 242 Y HA -0.326 4.224 4.550 0.001 0.000 0.286 242 Y C 1.970 177.871 175.900 0.001 0.000 1.145 242 Y CA 1.966 60.033 58.100 -0.055 0.000 1.148 242 Y CB -0.712 37.667 38.460 -0.134 0.000 0.981 242 Y HN 0.139 nan 8.280 nan 0.000 0.507 243 Y N 0.502 120.715 120.300 -0.145 0.000 2.293 243 Y HA -0.191 4.360 4.550 0.001 0.000 0.291 243 Y C 2.199 178.113 175.900 0.024 0.000 1.137 243 Y CA 1.101 59.036 58.100 -0.275 0.000 1.202 243 Y CB -0.933 37.190 38.460 -0.561 0.000 0.990 243 Y HN 0.262 nan 8.280 nan 0.000 0.537 244 N N 0.081 118.930 118.700 0.250 0.000 2.396 244 N HA -0.093 4.647 4.740 0.001 0.000 0.180 244 N C 1.465 176.998 175.510 0.038 0.000 1.028 244 N CA 0.951 54.107 53.050 0.176 0.000 0.893 244 N CB -0.085 38.482 38.487 0.134 0.000 0.967 244 N HN 0.415 nan 8.380 nan 0.000 0.440 245 K N -0.953 119.416 120.400 -0.051 0.000 2.242 245 K HA 0.004 4.325 4.320 0.001 0.000 0.200 245 K C 0.083 176.695 176.600 0.020 0.000 1.050 245 K CA 0.537 56.778 56.287 -0.078 0.000 0.981 245 K CB 0.260 32.651 32.500 -0.182 0.000 0.795 245 K HN 0.087 nan 8.250 nan 0.000 0.477 246 H N 0.139 119.111 119.070 -0.164 0.000 2.651 246 H HA 0.221 4.777 4.556 0.001 0.000 0.252 246 H C -2.629 172.652 175.328 -0.078 0.000 1.365 246 H CA -2.650 53.308 56.048 -0.149 0.000 1.539 246 H CB 1.085 30.686 29.762 -0.268 0.000 1.621 246 H HN -0.137 nan 8.280 nan 0.000 0.526 247 P HA -0.110 nan 4.420 nan 0.000 0.218 247 P C 0.987 178.292 177.300 0.008 0.000 1.149 247 P CA 0.927 64.088 63.100 0.101 0.000 0.817 247 P CB 0.541 32.354 31.700 0.188 0.000 0.785 248 E N -0.205 119.964 120.200 -0.051 0.000 2.512 248 E HA 0.085 4.435 4.350 0.001 0.000 0.195 248 E C 1.269 177.797 176.600 -0.120 0.000 1.083 248 E CA 0.156 56.579 56.400 0.038 0.000 0.873 248 E CB -0.593 29.274 29.700 0.277 0.000 0.897 248 E HN 0.192 nan 8.360 nan 0.000 0.514 249 G N 1.086 109.485 108.800 -0.668 0.000 2.667 249 G HA2 0.256 4.217 3.960 0.001 0.000 0.250 249 G HA3 0.256 4.217 3.960 0.001 0.000 0.250 249 G C 0.025 175.101 174.900 0.293 0.000 1.212 249 G CA 0.045 44.952 45.100 -0.321 0.000 0.874 249 G HN 0.184 nan 8.290 nan 0.000 0.561 250 S N -2.136 113.846 115.700 0.470 0.000 2.607 250 S HA 0.729 5.199 4.470 0.001 0.000 0.273 250 S C -1.362 173.410 174.600 0.287 0.000 1.148 250 S CA -0.793 57.619 58.200 0.353 0.000 0.833 250 S CB 2.223 65.466 63.200 0.071 0.000 1.130 250 S HN 0.859 nan 8.310 nan 0.000 0.470 251 V N 2.726 122.705 119.914 0.110 0.000 2.808 251 V HA 0.494 4.614 4.120 0.001 0.000 0.308 251 V C -0.455 175.378 176.094 -0.434 0.000 1.099 251 V CA -0.809 61.446 62.300 -0.075 0.000 0.920 251 V CB 2.030 33.562 31.823 -0.485 0.000 1.014 251 V HN 1.121 nan 8.190 nan 0.000 0.425 252 N N 3.133 121.484 118.700 -0.581 0.000 2.381 252 N HA 0.162 4.903 4.740 0.001 0.000 0.289 252 N C 0.085 175.262 175.510 -0.555 0.000 1.288 252 N CA -0.023 52.253 53.050 -1.290 0.000 0.960 252 N CB 0.380 38.006 38.487 -1.435 0.000 1.116 252 N HN 0.708 nan 8.380 nan 0.000 0.557 253 D N -2.426 117.585 120.400 -0.648 0.000 2.501 253 D HA 0.105 4.746 4.640 0.001 0.000 0.226 253 D C -0.138 175.952 176.300 -0.351 0.000 1.198 253 D CA -0.213 53.542 54.000 -0.409 0.000 0.830 253 D CB -0.279 40.055 40.800 -0.777 0.000 1.014 253 D HN 0.478 nan 8.370 nan 0.000 0.496 254 R N 0.104 120.281 120.500 -0.539 0.000 2.831 254 R HA 0.250 4.590 4.340 0.001 0.000 0.337 254 R C -0.176 175.917 176.300 -0.346 0.000 1.200 254 R CA -0.245 55.599 56.100 -0.427 0.000 1.088 254 R CB -0.119 29.891 30.300 -0.484 0.000 1.397 254 R HN 0.188 nan 8.270 nan 0.000 0.581 255 W N -0.763 120.523 121.300 -0.023 0.000 2.993 255 W HA 0.280 4.940 4.660 0.001 0.000 0.290 255 W C 1.305 177.869 176.519 0.074 0.000 1.203 255 W CA 0.217 57.610 57.345 0.080 0.000 1.582 255 W CB 0.501 29.992 29.460 0.051 0.000 1.033 255 W HN 0.279 nan 8.180 nan 0.000 0.594 256 G N 1.499 110.433 108.800 0.223 0.000 2.176 256 G HA2 -0.129 3.832 3.960 0.001 0.000 0.252 256 G HA3 -0.129 3.832 3.960 0.001 0.000 0.252 256 G C -0.170 174.765 174.900 0.059 0.000 1.024 256 G CA 0.263 45.434 45.100 0.118 0.000 0.755 256 G HN 0.567 nan 8.290 nan 0.000 0.507 257 V N -4.518 115.400 119.914 0.006 0.000 3.126 257 V HA 0.894 5.015 4.120 0.001 0.000 0.314 257 V C -0.759 175.097 176.094 -0.398 0.000 1.138 257 V CA -1.384 60.733 62.300 -0.305 0.000 1.034 257 V CB 1.481 32.979 31.823 -0.542 0.000 1.075 257 V HN -0.052 nan 8.190 nan 0.000 0.442 258 P HA -0.092 nan 4.420 nan 0.000 0.219 258 P C 0.045 177.167 177.300 -0.297 0.000 1.144 258 P CA 1.656 64.436 63.100 -0.533 0.000 0.806 258 P CB -0.211 31.015 31.700 -0.790 0.000 0.771 259 H N -0.660 118.184 119.070 -0.376 0.000 2.472 259 H HA 0.472 5.028 4.556 0.001 0.000 0.338 259 H C -0.731 174.570 175.328 -0.046 0.000 1.133 259 H CA -0.692 55.239 56.048 -0.195 0.000 1.216 259 H CB 0.681 30.483 29.762 0.067 0.000 1.497 259 H HN 0.012 nan 8.280 nan 0.000 0.500 260 W N 3.697 124.404 121.300 -0.988 0.000 3.173 260 W HA 0.226 4.886 4.660 0.001 0.000 0.313 260 W C -1.318 174.780 176.519 -0.702 0.000 1.228 260 W CA -0.599 56.318 57.345 -0.713 0.000 1.185 260 W CB 0.640 29.851 29.460 -0.414 0.000 1.390 260 W HN 0.446 nan 8.180 nan 0.000 0.568 261 D N 1.000 121.330 120.400 -0.118 0.000 2.380 261 D HA 0.133 4.774 4.640 0.001 0.000 0.212 261 D C 0.084 176.621 176.300 0.395 0.000 1.021 261 D CA 1.150 55.177 54.000 0.045 0.000 0.884 261 D CB 0.888 41.760 40.800 0.120 0.000 1.001 261 D HN 0.241 nan 8.370 nan 0.000 0.506 262 F N -0.592 119.529 119.950 0.284 0.000 2.619 262 F HA 0.535 5.062 4.527 0.001 0.000 0.308 262 F C -0.463 175.320 175.800 -0.029 0.000 1.097 262 F CA -1.340 56.796 58.000 0.227 0.000 0.953 262 F CB 1.299 40.317 39.000 0.031 0.000 1.287 262 F HN -0.509 nan 8.300 nan 0.000 0.446 263 K N 0.649 121.027 120.400 -0.037 0.000 2.177 263 K HA 0.763 5.083 4.320 0.001 0.000 0.238 263 K C -0.601 176.058 176.600 0.098 0.000 1.015 263 K CA -0.767 55.315 56.287 -0.342 0.000 0.922 263 K CB 1.755 33.946 32.500 -0.514 0.000 1.127 263 K HN 0.887 nan 8.250 nan 0.000 0.469 264 T N -2.455 112.113 114.554 0.023 0.000 2.906 264 T HA 0.752 5.102 4.350 0.001 0.000 0.295 264 T C -1.072 173.793 174.700 0.275 0.000 1.061 264 T CA -1.047 61.197 62.100 0.241 0.000 1.000 264 T CB 1.870 70.810 68.868 0.120 0.000 1.103 264 T HN 0.604 nan 8.240 nan 0.000 0.486 265 A N 1.199 124.291 122.820 0.454 0.000 2.475 265 A HA 0.834 5.155 4.320 0.001 0.000 0.301 265 A C -0.900 177.004 177.584 0.532 0.000 1.059 265 A CA -0.808 51.514 52.037 0.474 0.000 0.710 265 A CB 1.752 21.072 19.000 0.532 0.000 1.288 265 A HN 0.985 nan 8.150 nan 0.000 0.408 266 E N 1.403 121.894 120.200 0.485 0.000 2.260 266 E HA 0.552 4.903 4.350 0.001 0.000 0.266 266 E C -0.934 175.969 176.600 0.506 0.000 0.887 266 E CA -0.442 56.198 56.400 0.401 0.000 0.777 266 E CB 0.813 30.785 29.700 0.453 0.000 1.205 266 E HN 0.660 nan 8.360 nan 0.000 0.414 267 Y N 0.903 121.386 120.300 0.305 0.000 2.849 267 Y HA -0.487 4.064 4.550 0.001 0.000 0.459 267 Y C 1.751 177.820 175.900 0.281 0.000 1.175 267 Y CA 1.674 59.922 58.100 0.246 0.000 2.500 267 Y CB -0.962 37.560 38.460 0.102 0.000 1.208 267 Y HN 0.750 nan 8.280 nan 0.000 0.638 268 H N -0.501 118.830 119.070 0.435 0.000 2.421 268 H HA -0.003 4.554 4.556 0.001 0.000 0.298 268 H C 0.629 176.117 175.328 0.267 0.000 1.087 268 H CA 1.314 57.511 56.048 0.250 0.000 1.330 268 H CB -0.713 29.128 29.762 0.130 0.000 1.388 268 H HN 0.143 nan 8.280 nan 0.000 0.526 269 V N 3.552 123.681 119.914 0.359 0.000 2.509 269 V HA -0.123 3.997 4.120 0.001 0.000 0.297 269 V C 0.992 177.255 176.094 0.281 0.000 1.014 269 V CA 0.267 62.723 62.300 0.260 0.000 1.127 269 V CB -0.079 31.864 31.823 0.201 0.000 0.925 269 V HN 0.605 nan 8.190 nan 0.000 0.480 270 N N 2.188 121.000 118.700 0.186 0.000 2.741 270 N HA -0.249 4.492 4.740 0.001 0.000 0.251 270 N C -0.322 175.239 175.510 0.085 0.000 1.112 270 N CA 0.798 53.918 53.050 0.117 0.000 0.750 270 N CB -0.990 37.553 38.487 0.093 0.000 1.119 270 N HN 0.819 nan 8.380 nan 0.000 0.561 271 Y N 2.589 122.911 120.300 0.037 0.000 2.436 271 Y HA 0.219 4.770 4.550 0.001 0.000 0.336 271 Y C -1.365 174.416 175.900 -0.199 0.000 1.049 271 Y CA -1.189 56.870 58.100 -0.070 0.000 1.294 271 Y CB 0.674 39.130 38.460 -0.007 0.000 1.179 271 Y HN 0.053 nan 8.280 nan 0.000 0.520 272 P HA 0.135 nan 4.420 nan 0.000 0.275 272 P C 0.255 177.481 177.300 -0.124 0.000 1.227 272 P CA -0.093 62.763 63.100 -0.407 0.000 0.781 272 P CB 1.651 32.889 31.700 -0.769 0.000 0.906 273 G N 1.154 109.924 108.800 -0.049 0.000 2.603 273 G HA2 -0.014 3.947 3.960 0.001 0.000 0.214 273 G HA3 -0.014 3.947 3.960 0.001 0.000 0.214 273 G C 0.283 175.179 174.900 -0.007 0.000 1.140 273 G CA 0.397 45.507 45.100 0.016 0.000 0.800 273 G HN 0.591 nan 8.290 nan 0.000 0.533 274 D N -1.545 118.823 120.400 -0.053 0.000 2.744 274 D HA 0.328 4.968 4.640 0.001 0.000 0.304 274 D C -0.266 175.989 176.300 -0.075 0.000 1.179 274 D CA -0.865 53.114 54.000 -0.035 0.000 1.024 274 D CB 0.649 41.433 40.800 -0.027 0.000 1.453 274 D HN -0.117 nan 8.370 nan 0.000 0.529 275 L N 1.890 123.090 121.223 -0.038 0.000 2.654 275 L HA 0.221 4.561 4.340 0.001 0.000 0.271 275 L C -1.659 175.137 176.870 -0.123 0.000 1.169 275 L CA -0.852 53.961 54.840 -0.046 0.000 0.947 275 L CB -0.440 41.617 42.059 -0.004 0.000 1.232 275 L HN 0.249 nan 8.230 nan 0.000 0.486 276 P HA 0.248 nan 4.420 nan 0.000 0.293 276 P C 0.494 177.618 177.300 -0.294 0.000 1.304 276 P CA -0.458 62.413 63.100 -0.381 0.000 0.767 276 P CB 0.748 31.928 31.700 -0.867 0.000 1.247 277 G N -0.855 107.814 108.800 -0.218 0.000 4.044 277 G HA2 0.433 4.394 3.960 0.001 0.000 0.297 277 G HA3 0.433 4.394 3.960 0.001 0.000 0.297 277 G C -0.908 174.066 174.900 0.123 0.000 1.101 277 G CA -0.044 45.048 45.100 -0.013 0.000 0.884 277 G HN 0.478 nan 8.290 nan 0.000 0.538 278 Y N -2.894 117.524 120.300 0.195 0.000 2.655 278 Y HA 0.783 5.333 4.550 0.001 0.000 0.336 278 Y C -0.528 175.588 175.900 0.359 0.000 1.154 278 Y CA -2.315 55.953 58.100 0.279 0.000 1.055 278 Y CB 0.976 39.676 38.460 0.401 0.000 1.295 278 Y HN -0.131 nan 8.280 nan 0.000 0.465 279 K N 2.730 123.476 120.400 0.578 0.000 2.249 279 K HA 0.372 4.692 4.320 0.001 0.000 0.280 279 K C -1.180 175.853 176.600 0.721 0.000 1.033 279 K CA -0.344 56.252 56.287 0.515 0.000 0.946 279 K CB 0.351 33.098 32.500 0.410 0.000 1.005 279 K HN 0.773 nan 8.250 nan 0.000 0.469 280 W N 2.181 123.678 121.300 0.328 0.000 3.047 280 W HA 0.586 5.247 4.660 0.001 0.000 0.341 280 W C -1.297 175.423 176.519 0.335 0.000 1.225 280 W CA -0.894 56.661 57.345 0.349 0.000 1.150 280 W CB 0.538 30.138 29.460 0.234 0.000 1.470 280 W HN 0.649 nan 8.180 nan 0.000 0.578 281 E N 1.008 121.450 120.200 0.404 0.000 2.314 281 E HA 0.491 4.842 4.350 0.001 0.000 0.272 281 E C -2.191 174.639 176.600 0.384 0.000 0.884 281 E CA -0.736 55.776 56.400 0.186 0.000 0.753 281 E CB 2.815 32.778 29.700 0.439 0.000 1.213 281 E HN 0.283 nan 8.360 nan 0.000 0.432 282 F N 2.672 122.643 119.950 0.035 0.000 2.421 282 F HA 0.535 5.062 4.527 0.001 0.000 0.337 282 F C -0.582 175.359 175.800 0.235 0.000 1.105 282 F CA -0.161 57.985 58.000 0.244 0.000 1.049 282 F CB 1.931 41.062 39.000 0.220 0.000 1.139 282 F HN 0.321 nan 8.300 nan 0.000 0.479 283 T N 6.263 120.521 114.554 -0.493 0.000 2.900 283 T HA 0.819 5.170 4.350 0.001 0.000 0.295 283 T C -1.249 172.972 174.700 -0.797 0.000 1.044 283 T CA -0.599 61.271 62.100 -0.383 0.000 0.995 283 T CB 1.058 70.074 68.868 0.246 0.000 1.072 283 T HN 0.963 nan 8.240 nan 0.000 0.473 284 R N 1.206 121.294 120.500 -0.685 0.000 2.741 284 R HA 0.671 5.011 4.340 0.001 0.000 0.276 284 R C -0.344 175.452 176.300 -0.840 0.000 1.028 284 R CA -1.313 54.153 56.100 -1.056 0.000 0.865 284 R CB 0.273 29.789 30.300 -1.307 0.000 1.268 284 R HN 0.768 nan 8.270 nan 0.000 0.475 285 G N 0.109 108.376 108.800 -0.889 0.000 2.528 285 G HA2 0.413 4.373 3.960 0.001 0.000 0.289 285 G HA3 0.413 4.373 3.960 0.001 0.000 0.289 285 G C 0.615 175.338 174.900 -0.295 0.000 1.192 285 G CA -1.100 43.635 45.100 -0.609 0.000 0.921 285 G HN 0.549 nan 8.290 nan 0.000 0.512 286 I N 0.404 120.854 120.570 -0.200 0.000 2.361 286 I HA -0.009 4.162 4.170 0.001 0.000 0.251 286 I C 1.945 178.023 176.117 -0.065 0.000 1.133 286 I CA 1.312 62.545 61.300 -0.111 0.000 1.413 286 I CB -0.166 37.786 38.000 -0.079 0.000 1.073 286 I HN 0.523 nan 8.210 nan 0.000 0.424 287 G N -0.371 108.392 108.800 -0.061 0.000 3.039 287 G HA2 0.436 4.396 3.960 0.001 0.000 0.159 287 G HA3 0.436 4.396 3.960 0.001 0.000 0.159 287 G C 0.446 175.380 174.900 0.057 0.000 1.284 287 G CA -0.500 44.602 45.100 0.004 0.000 0.996 287 G HN 0.043 nan 8.290 nan 0.000 0.592 288 L N -0.059 121.185 121.223 0.034 0.000 2.446 288 L HA 0.239 4.580 4.340 0.001 0.000 0.219 288 L C 1.427 178.318 176.870 0.033 0.000 1.116 288 L CA 0.398 55.258 54.840 0.034 0.000 0.844 288 L CB 0.265 42.302 42.059 -0.036 0.000 0.970 288 L HN 0.348 nan 8.230 nan 0.000 0.457 289 S N -1.688 113.982 115.700 -0.050 0.000 2.664 289 S HA 0.454 4.925 4.470 0.001 0.000 0.304 289 S C 0.344 174.794 174.600 -0.251 0.000 1.099 289 S CA -0.588 57.575 58.200 -0.061 0.000 1.003 289 S CB 1.249 64.420 63.200 -0.049 0.000 1.092 289 S HN 0.046 nan 8.310 nan 0.000 0.525 290 F N 1.729 121.428 119.950 -0.418 0.000 2.274 290 F HA 0.340 4.868 4.527 0.001 0.000 0.288 290 F C 1.883 177.558 175.800 -0.208 0.000 1.069 290 F CA 0.612 58.310 58.000 -0.503 0.000 1.343 290 F CB -0.715 37.681 39.000 -1.008 0.000 1.089 290 F HN 0.696 nan 8.300 nan 0.000 0.517 291 G N -1.367 107.496 108.800 0.105 0.000 2.572 291 G HA2 0.104 4.064 3.960 0.001 0.000 0.261 291 G HA3 0.104 4.064 3.960 0.001 0.000 0.261 291 G C -1.297 173.731 174.900 0.212 0.000 1.197 291 G CA -0.368 44.894 45.100 0.270 0.000 0.870 291 G HN 0.104 nan 8.290 nan 0.000 0.548 292 Y N 1.214 121.593 120.300 0.132 0.000 2.721 292 Y HA 0.116 4.666 4.550 0.001 0.000 0.329 292 Y C 0.132 176.054 175.900 0.036 0.000 1.211 292 Y CA -0.403 57.733 58.100 0.060 0.000 1.512 292 Y CB 0.441 38.945 38.460 0.072 0.000 1.249 292 Y HN 0.418 nan 8.280 nan 0.000 0.549 293 N N 5.891 124.290 118.700 -0.501 0.000 2.524 293 N HA 0.161 4.901 4.740 0.001 0.000 0.261 293 N C 0.521 175.545 175.510 -0.809 0.000 0.998 293 N CA -0.723 51.980 53.050 -0.577 0.000 0.915 293 N CB 0.622 38.885 38.487 -0.373 0.000 1.187 293 N HN 0.815 nan 8.380 nan 0.000 0.507 294 R N 2.487 122.427 120.500 -0.933 0.000 2.357 294 R HA 0.047 4.387 4.340 0.001 0.000 0.202 294 R C -0.400 175.738 176.300 -0.269 0.000 1.047 294 R CA 0.673 56.443 56.100 -0.551 0.000 1.034 294 R CB -0.050 30.119 30.300 -0.218 0.000 0.875 294 R HN 0.318 nan 8.270 nan 0.000 0.473 295 N N 1.067 119.544 118.700 -0.372 0.000 2.373 295 N HA 0.010 4.750 4.740 0.001 0.000 0.181 295 N C -0.398 174.960 175.510 -0.253 0.000 1.082 295 N CA 0.309 53.167 53.050 -0.319 0.000 0.885 295 N CB 0.333 38.495 38.487 -0.542 0.000 0.977 295 N HN 0.419 nan 8.380 nan 0.000 0.462 296 E N 0.284 120.331 120.200 -0.255 0.000 2.316 296 E HA 0.373 4.724 4.350 0.001 0.000 0.275 296 E C 0.313 176.963 176.600 0.083 0.000 1.029 296 E CA -0.243 56.080 56.400 -0.128 0.000 0.871 296 E CB 1.188 30.801 29.700 -0.145 0.000 1.022 296 E HN 0.143 nan 8.360 nan 0.000 0.418 297 G N 2.415 111.404 108.800 0.314 0.000 2.735 297 G HA2 0.276 4.236 3.960 0.001 0.000 0.301 297 G HA3 0.276 4.236 3.960 0.001 0.000 0.301 297 G C -1.962 172.981 174.900 0.072 0.000 1.279 297 G CA -1.220 43.965 45.100 0.142 0.000 1.019 297 G HN 0.248 nan 8.290 nan 0.000 0.497 298 P HA -0.131 nan 4.420 nan 0.000 0.218 298 P C 0.985 178.230 177.300 -0.092 0.000 1.146 298 P CA 1.208 64.291 63.100 -0.029 0.000 0.813 298 P CB 0.241 31.922 31.700 -0.031 0.000 0.778 299 E N -1.043 119.037 120.200 -0.201 0.000 2.267 299 E HA -0.192 4.159 4.350 0.001 0.000 0.197 299 E C 1.689 178.028 176.600 -0.435 0.000 0.998 299 E CA 1.134 57.317 56.400 -0.361 0.000 0.830 299 E CB -0.936 28.419 29.700 -0.577 0.000 0.751 299 E HN 0.565 nan 8.360 nan 0.000 0.491 300 H N -1.323 117.729 119.070 -0.030 0.000 2.740 300 H HA 0.311 4.868 4.556 0.001 0.000 0.265 300 H C 0.556 175.872 175.328 -0.021 0.000 0.978 300 H CA 0.042 56.073 56.048 -0.028 0.000 1.198 300 H CB 0.258 29.991 29.762 -0.049 0.000 1.467 300 H HN 0.180 nan 8.280 nan 0.000 0.511 301 M N 1.202 120.839 119.600 0.061 0.000 2.359 301 M HA 0.258 4.739 4.480 0.001 0.000 0.322 301 M C 0.068 176.359 176.300 -0.014 0.000 1.166 301 M CA -0.418 54.894 55.300 0.019 0.000 1.067 301 M CB 1.772 34.376 32.600 0.005 0.000 1.523 301 M HN -0.083 nan 8.290 nan 0.000 0.467 302 L N 0.615 121.818 121.223 -0.033 0.000 2.466 302 L HA 0.304 4.645 4.340 0.001 0.000 0.257 302 L C 0.466 177.284 176.870 -0.087 0.000 1.189 302 L CA -0.417 54.384 54.840 -0.064 0.000 0.813 302 L CB 1.115 43.124 42.059 -0.084 0.000 1.118 302 L HN 0.785 nan 8.230 nan 0.000 0.471 303 S N -0.193 115.434 115.700 -0.122 0.000 2.654 303 S HA 0.273 4.743 4.470 0.001 0.000 0.283 303 S C 0.974 175.463 174.600 -0.185 0.000 1.180 303 S CA -0.968 57.152 58.200 -0.133 0.000 1.021 303 S CB 1.740 64.858 63.200 -0.137 0.000 1.018 303 S HN 0.312 nan 8.310 nan 0.000 0.532 304 V N 1.768 121.584 119.914 -0.163 0.000 2.317 304 V HA -0.234 3.887 4.120 0.001 0.000 0.251 304 V C 2.521 178.419 176.094 -0.326 0.000 1.065 304 V CA 2.529 64.714 62.300 -0.191 0.000 1.049 304 V CB -1.392 30.362 31.823 -0.114 0.000 0.651 304 V HN 0.910 nan 8.190 nan 0.000 0.450 305 E N -0.130 119.844 120.200 -0.378 0.000 2.077 305 E HA -0.243 4.107 4.350 0.001 0.000 0.193 305 E C 2.286 178.273 176.600 -1.022 0.000 0.989 305 E CA 1.380 57.373 56.400 -0.677 0.000 0.800 305 E CB -0.304 29.062 29.700 -0.557 0.000 0.746 305 E HN 0.672 nan 8.360 nan 0.000 0.452 306 Q N 0.015 119.434 119.800 -0.635 0.000 2.167 306 Q HA -0.059 4.282 4.340 0.001 0.000 0.202 306 Q C 2.230 178.025 176.000 -0.342 0.000 0.970 306 Q CA 0.721 56.249 55.803 -0.459 0.000 0.855 306 Q CB -0.044 28.552 28.738 -0.237 0.000 0.911 306 Q HN 0.297 nan 8.270 nan 0.000 0.438 307 L N -0.164 120.863 121.223 -0.327 0.000 2.017 307 L HA -0.194 4.146 4.340 0.001 0.000 0.208 307 L C 2.300 178.950 176.870 -0.367 0.000 1.073 307 L CA 0.941 55.614 54.840 -0.279 0.000 0.745 307 L CB -0.409 41.496 42.059 -0.257 0.000 0.894 307 L HN 0.132 nan 8.230 nan 0.000 0.432 308 V N -0.770 118.832 119.914 -0.520 0.000 2.287 308 V HA -0.354 3.767 4.120 0.001 0.000 0.248 308 V C 2.161 177.984 176.094 -0.452 0.000 1.053 308 V CA 1.921 63.786 62.300 -0.725 0.000 1.027 308 V CB -0.830 30.353 31.823 -1.067 0.000 0.646 308 V HN 0.392 nan 8.190 nan 0.000 0.447 309 Y N 0.133 120.179 120.300 -0.423 0.000 2.274 309 Y HA -0.234 4.317 4.550 0.001 0.000 0.290 309 Y C 2.865 178.619 175.900 -0.244 0.000 1.145 309 Y CA 1.002 58.916 58.100 -0.311 0.000 1.203 309 Y CB -0.620 37.706 38.460 -0.223 0.000 0.984 309 Y HN 0.244 nan 8.280 nan 0.000 0.533 310 T N 0.959 115.468 114.554 -0.075 0.000 2.674 310 T HA -0.209 4.142 4.350 0.001 0.000 0.265 310 T C 1.902 176.557 174.700 -0.075 0.000 1.039 310 T CA 1.410 63.471 62.100 -0.066 0.000 1.150 310 T CB -0.604 68.243 68.868 -0.035 0.000 0.864 310 T HN 0.190 nan 8.240 nan 0.000 0.427 311 L N 1.386 122.513 121.223 -0.159 0.000 1.989 311 L HA -0.084 4.257 4.340 0.001 0.000 0.211 311 L C 2.445 179.222 176.870 -0.154 0.000 1.071 311 L CA 1.606 56.339 54.840 -0.179 0.000 0.749 311 L CB -0.732 41.139 42.059 -0.314 0.000 0.890 311 L HN 0.082 nan 8.230 nan 0.000 0.431 312 V N -0.109 119.689 119.914 -0.194 0.000 2.332 312 V HA -0.346 3.775 4.120 0.001 0.000 0.248 312 V C 2.292 178.337 176.094 -0.082 0.000 1.055 312 V CA 2.125 64.341 62.300 -0.140 0.000 1.038 312 V CB -0.907 30.816 31.823 -0.167 0.000 0.651 312 V HN 0.618 nan 8.190 nan 0.000 0.450 313 D N -0.300 120.065 120.400 -0.059 0.000 2.117 313 D HA -0.147 4.493 4.640 0.001 0.000 0.198 313 D C 2.045 178.396 176.300 0.084 0.000 0.982 313 D CA 1.319 55.324 54.000 0.009 0.000 0.828 313 D CB 0.010 40.823 40.800 0.022 0.000 0.967 313 D HN 0.191 nan 8.370 nan 0.000 0.464 314 V N -0.128 119.820 119.914 0.057 0.000 2.295 314 V HA -0.209 3.911 4.120 0.001 0.000 0.246 314 V C 2.477 178.535 176.094 -0.061 0.000 1.049 314 V CA 1.257 63.565 62.300 0.013 0.000 1.024 314 V CB -0.304 31.463 31.823 -0.093 0.000 0.648 314 V HN 0.193 nan 8.190 nan 0.000 0.447 315 V N 0.795 120.665 119.914 -0.073 0.000 2.515 315 V HA -0.188 3.933 4.120 0.001 0.000 0.250 315 V C 2.614 178.715 176.094 0.011 0.000 1.058 315 V CA 2.069 64.327 62.300 -0.070 0.000 1.064 315 V CB -0.669 31.104 31.823 -0.083 0.000 0.675 315 V HN 0.763 nan 8.190 nan 0.000 0.461 316 S N -0.328 115.397 115.700 0.042 0.000 2.515 316 S HA -0.099 4.372 4.470 0.001 0.000 0.231 316 S C 1.507 176.196 174.600 0.148 0.000 0.987 316 S CA 0.888 59.145 58.200 0.097 0.000 0.936 316 S CB -0.317 62.923 63.200 0.066 0.000 0.766 316 S HN 0.653 nan 8.310 nan 0.000 0.528 317 K N 0.324 120.833 120.400 0.180 0.000 2.440 317 K HA 0.356 4.677 4.320 0.001 0.000 0.206 317 K C 1.065 177.898 176.600 0.389 0.000 1.025 317 K CA 0.271 56.720 56.287 0.270 0.000 1.135 317 K CB 0.273 32.985 32.500 0.355 0.000 0.856 317 K HN 0.459 nan 8.250 nan 0.000 0.502 318 G N 0.693 109.621 108.800 0.214 0.000 2.179 318 G HA2 -0.261 3.699 3.960 0.001 0.000 0.260 318 G HA3 -0.261 3.699 3.960 0.001 0.000 0.260 318 G C 0.431 175.266 174.900 -0.107 0.000 0.977 318 G CA -0.013 45.179 45.100 0.155 0.000 0.641 318 G HN 0.513 nan 8.290 nan 0.000 0.533 319 G N -0.741 107.755 108.800 -0.507 0.000 2.531 319 G HA2 0.575 4.535 3.960 0.001 0.000 0.313 319 G HA3 0.575 4.535 3.960 0.001 0.000 0.313 319 G C -0.462 174.043 174.900 -0.659 0.000 1.238 319 G CA -0.392 43.923 45.100 -1.308 0.000 0.994 319 G HN 0.278 nan 8.290 nan 0.000 0.493 320 N N -1.417 116.939 118.700 -0.573 0.000 2.335 320 N HA 0.525 5.265 4.740 0.001 0.000 0.304 320 N C -1.132 174.268 175.510 -0.183 0.000 1.135 320 N CA -0.599 52.273 53.050 -0.297 0.000 0.817 320 N CB 2.170 40.464 38.487 -0.322 0.000 1.294 320 N HN 0.415 nan 8.380 nan 0.000 0.497 321 L N 1.447 122.656 121.223 -0.023 0.000 2.296 321 L HA 0.591 4.932 4.340 0.001 0.000 0.286 321 L C -1.347 175.582 176.870 0.099 0.000 1.023 321 L CA -0.662 54.237 54.840 0.098 0.000 0.812 321 L CB 0.933 43.068 42.059 0.126 0.000 1.223 321 L HN 0.414 nan 8.230 nan 0.000 0.421 322 L N 6.127 127.371 121.223 0.036 0.000 2.297 322 L HA 0.486 4.826 4.340 0.001 0.000 0.277 322 L C -1.065 175.769 176.870 -0.060 0.000 1.040 322 L CA -0.326 54.452 54.840 -0.103 0.000 0.867 322 L CB 0.963 42.934 42.059 -0.148 0.000 1.244 322 L HN 0.730 nan 8.230 nan 0.000 0.433 323 L N 4.634 125.855 121.223 -0.004 0.000 2.331 323 L HA 0.407 4.747 4.340 0.001 0.000 0.278 323 L C -0.073 176.768 176.870 -0.048 0.000 1.106 323 L CA 0.286 55.128 54.840 0.003 0.000 0.824 323 L CB 0.839 42.996 42.059 0.163 0.000 1.142 323 L HN 0.764 nan 8.230 nan 0.000 0.443 324 N N 3.434 122.068 118.700 -0.110 0.000 2.479 324 N HA 0.480 5.221 4.740 0.001 0.000 0.285 324 N C -1.434 173.983 175.510 -0.155 0.000 1.075 324 N CA -0.446 52.539 53.050 -0.109 0.000 0.967 324 N CB 1.265 39.572 38.487 -0.299 0.000 1.137 324 N HN 0.412 nan 8.380 nan 0.000 0.472 325 V N 1.830 121.676 119.914 -0.113 0.000 2.495 325 V HA 0.637 4.757 4.120 0.001 0.000 0.298 325 V C 0.507 176.553 176.094 -0.079 0.000 1.031 325 V CA -0.790 61.441 62.300 -0.115 0.000 0.871 325 V CB 1.592 33.328 31.823 -0.145 0.000 0.988 325 V HN 0.851 nan 8.190 nan 0.000 0.432 326 G N 5.830 114.607 108.800 -0.039 0.000 2.873 326 G HA2 0.594 4.555 3.960 0.001 0.000 0.340 326 G HA3 0.594 4.555 3.960 0.001 0.000 0.340 326 G C -2.820 172.099 174.900 0.031 0.000 1.171 326 G CA -1.276 43.864 45.100 0.067 0.000 1.113 326 G HN 0.490 nan 8.290 nan 0.000 0.471 327 P HA 0.173 nan 4.420 nan 0.000 0.273 327 P C 0.199 177.474 177.300 -0.041 0.000 1.250 327 P CA -0.192 62.785 63.100 -0.207 0.000 0.793 327 P CB 1.041 32.414 31.700 -0.545 0.000 1.011 328 K N -0.219 120.119 120.400 -0.103 0.000 2.090 328 K HA 0.357 4.677 4.320 0.001 0.000 0.249 328 K C 1.786 178.599 176.600 0.355 0.000 0.995 328 K CA -0.324 55.927 56.287 -0.059 0.000 0.914 328 K CB 0.215 32.586 32.500 -0.216 0.000 1.057 328 K HN 0.483 nan 8.250 nan 0.000 0.462 329 G N 1.006 109.969 108.800 0.271 0.000 2.470 329 G HA2 -0.243 3.718 3.960 0.001 0.000 0.220 329 G HA3 -0.243 3.718 3.960 0.001 0.000 0.220 329 G C 0.826 176.033 174.900 0.511 0.000 1.121 329 G CA 1.056 46.390 45.100 0.391 0.000 0.766 329 G HN 0.805 nan 8.290 nan 0.000 0.553 330 D N -0.902 119.703 120.400 0.341 0.000 2.355 330 D HA 0.200 4.841 4.640 0.001 0.000 0.218 330 D C 1.700 178.219 176.300 0.365 0.000 1.004 330 D CA 0.692 54.861 54.000 0.281 0.000 0.880 330 D CB -0.510 40.396 40.800 0.177 0.000 0.911 330 D HN 0.488 nan 8.370 nan 0.000 0.528 331 G N 0.053 109.144 108.800 0.485 0.000 2.141 331 G HA2 -0.226 3.734 3.960 0.001 0.000 0.231 331 G HA3 -0.226 3.734 3.960 0.001 0.000 0.231 331 G C 0.364 175.513 174.900 0.415 0.000 0.984 331 G CA 0.395 45.760 45.100 0.441 0.000 0.660 331 G HN 0.790 nan 8.290 nan 0.000 0.525 332 T N -1.110 113.591 114.554 0.245 0.000 2.928 332 T HA 0.732 5.083 4.350 0.001 0.000 0.284 332 T C 0.334 175.046 174.700 0.021 0.000 1.008 332 T CA -0.854 61.351 62.100 0.175 0.000 1.057 332 T CB 2.224 71.145 68.868 0.088 0.000 1.018 332 T HN 0.438 nan 8.240 nan 0.000 0.493 333 I N 3.361 123.913 120.570 -0.031 0.000 2.297 333 I HA 0.284 4.455 4.170 0.001 0.000 0.291 333 I C -2.131 173.917 176.117 -0.115 0.000 1.033 333 I CA -2.574 58.629 61.300 -0.161 0.000 1.253 333 I CB 1.119 38.968 38.000 -0.251 0.000 1.396 333 I HN 0.464 nan 8.210 nan 0.000 0.476 334 P HA -0.084 nan 4.420 nan 0.000 0.263 334 P C -0.111 177.174 177.300 -0.024 0.000 1.162 334 P CA 0.366 63.418 63.100 -0.079 0.000 0.758 334 P CB 0.559 32.239 31.700 -0.033 0.000 0.773 335 D N 1.794 122.192 120.400 -0.002 0.000 2.123 335 D HA -0.165 4.475 4.640 0.001 0.000 0.196 335 D C 1.739 178.044 176.300 0.009 0.000 0.992 335 D CA 1.193 55.195 54.000 0.003 0.000 0.833 335 D CB -0.376 40.431 40.800 0.011 0.000 0.954 335 D HN 0.353 nan 8.370 nan 0.000 0.455 336 L N 0.322 121.558 121.223 0.023 0.000 2.129 336 L HA -0.253 4.088 4.340 0.001 0.000 0.212 336 L C 2.278 179.152 176.870 0.006 0.000 1.087 336 L CA 1.320 56.171 54.840 0.019 0.000 0.757 336 L CB -0.364 41.716 42.059 0.035 0.000 0.896 336 L HN 0.171 nan 8.230 nan 0.000 0.434 337 Q N -0.613 119.189 119.800 0.003 0.000 2.123 337 Q HA -0.164 4.177 4.340 0.001 0.000 0.196 337 Q C 2.147 178.140 176.000 -0.012 0.000 0.958 337 Q CA 0.767 56.564 55.803 -0.010 0.000 0.841 337 Q CB 0.009 28.735 28.738 -0.020 0.000 0.915 337 Q HN 0.349 nan 8.270 nan 0.000 0.455 338 K N 1.225 121.614 120.400 -0.018 0.000 2.032 338 K HA -0.228 4.093 4.320 0.001 0.000 0.209 338 K C 1.837 178.437 176.600 0.001 0.000 1.048 338 K CA 1.415 57.693 56.287 -0.015 0.000 0.927 338 K CB 0.148 32.633 32.500 -0.025 0.000 0.712 338 K HN 0.024 nan 8.250 nan 0.000 0.441 339 E N 0.266 120.465 120.200 -0.001 0.000 2.049 339 E HA -0.198 4.152 4.350 0.001 0.000 0.198 339 E C 1.984 178.585 176.600 0.001 0.000 1.007 339 E CA 1.738 58.139 56.400 0.001 0.000 0.809 339 E CB 0.056 29.755 29.700 -0.001 0.000 0.749 339 E HN 0.207 nan 8.360 nan 0.000 0.450 340 R N -0.198 120.298 120.500 -0.008 0.000 2.091 340 R HA -0.120 4.220 4.340 0.001 0.000 0.238 340 R C 2.499 178.796 176.300 -0.004 0.000 1.136 340 R CA 1.252 57.340 56.100 -0.020 0.000 0.959 340 R CB -0.420 29.859 30.300 -0.034 0.000 0.856 340 R HN 0.205 nan 8.270 nan 0.000 0.437 341 L N 0.517 121.756 121.223 0.026 0.000 2.012 341 L HA -0.229 4.112 4.340 0.001 0.000 0.210 341 L C 2.392 179.311 176.870 0.082 0.000 1.073 341 L CA 1.367 56.254 54.840 0.079 0.000 0.748 341 L CB -0.510 41.617 42.059 0.114 0.000 0.891 341 L HN 0.219 nan 8.230 nan 0.000 0.431 342 L N -0.555 120.704 121.223 0.059 0.000 2.042 342 L HA -0.175 4.166 4.340 0.001 0.000 0.210 342 L C 2.686 179.592 176.870 0.060 0.000 1.076 342 L CA 1.465 56.340 54.840 0.059 0.000 0.749 342 L CB -1.259 40.822 42.059 0.036 0.000 0.893 342 L HN 0.342 nan 8.230 nan 0.000 0.432 343 G N 0.294 109.117 108.800 0.038 0.000 2.480 343 G HA2 -0.312 3.648 3.960 0.001 0.000 0.216 343 G HA3 -0.312 3.648 3.960 0.001 0.000 0.216 343 G C 1.535 176.474 174.900 0.065 0.000 1.200 343 G CA 0.944 46.067 45.100 0.038 0.000 0.782 343 G HN 0.222 nan 8.290 nan 0.000 0.554 344 L N 1.842 123.074 121.223 0.015 0.000 2.013 344 L HA 0.030 4.370 4.340 0.001 0.000 0.212 344 L C 2.814 179.750 176.870 0.110 0.000 1.073 344 L CA 2.591 57.426 54.840 -0.009 0.000 0.753 344 L CB -1.158 40.813 42.059 -0.147 0.000 0.890 344 L HN 0.197 nan 8.230 nan 0.000 0.432 345 G N -1.374 107.500 108.800 0.122 0.000 2.442 345 G HA2 -0.275 3.685 3.960 0.001 0.000 0.219 345 G HA3 -0.275 3.685 3.960 0.001 0.000 0.219 345 G C 1.453 176.449 174.900 0.161 0.000 1.141 345 G CA 0.889 46.090 45.100 0.168 0.000 0.763 345 G HN 0.554 nan 8.290 nan 0.000 0.554 346 E N -0.855 119.432 120.200 0.144 0.000 2.047 346 E HA -0.140 4.210 4.350 0.001 0.000 0.191 346 E C 2.027 178.721 176.600 0.156 0.000 0.987 346 E CA 0.866 57.339 56.400 0.123 0.000 0.799 346 E CB -0.254 29.510 29.700 0.106 0.000 0.752 346 E HN 0.626 nan 8.360 nan 0.000 0.449 347 W N 1.279 122.615 121.300 0.059 0.000 2.342 347 W HA -0.156 4.505 4.660 0.001 0.000 0.297 347 W C 1.691 178.296 176.519 0.144 0.000 1.213 347 W CA 1.230 58.655 57.345 0.135 0.000 1.251 347 W CB -0.109 29.401 29.460 0.084 0.000 1.136 347 W HN -0.003 nan 8.180 nan 0.000 0.526 348 L N 0.145 121.529 121.223 0.268 0.000 2.141 348 L HA -0.162 4.178 4.340 0.001 0.000 0.209 348 L C 2.743 179.633 176.870 0.034 0.000 1.094 348 L CA 1.308 56.221 54.840 0.122 0.000 0.763 348 L CB -0.685 41.521 42.059 0.245 0.000 0.908 348 L HN -0.070 nan 8.230 nan 0.000 0.437 349 R N 0.189 120.712 120.500 0.038 0.000 2.083 349 R HA -0.204 4.137 4.340 0.001 0.000 0.237 349 R C 2.253 178.483 176.300 -0.117 0.000 1.137 349 R CA 1.750 57.850 56.100 -0.001 0.000 0.951 349 R CB 0.042 30.344 30.300 0.003 0.000 0.851 349 R HN 0.276 nan 8.270 nan 0.000 0.434 350 K N -1.476 118.765 120.400 -0.265 0.000 2.044 350 K HA -0.090 4.231 4.320 0.001 0.000 0.204 350 K C 1.429 177.685 176.600 -0.573 0.000 1.049 350 K CA 1.299 57.283 56.287 -0.505 0.000 0.945 350 K CB 0.054 32.068 32.500 -0.809 0.000 0.724 350 K HN 0.216 nan 8.250 nan 0.000 0.440 351 Y N -0.219 119.758 120.300 -0.538 0.000 2.449 351 Y HA 0.238 4.789 4.550 0.001 0.000 0.254 351 Y C 2.081 177.649 175.900 -0.553 0.000 1.140 351 Y CA -0.157 57.544 58.100 -0.664 0.000 1.272 351 Y CB -0.134 37.455 38.460 -1.451 0.000 1.114 351 Y HN 0.086 nan 8.280 nan 0.000 0.525 352 G N 0.465 109.133 108.800 -0.219 0.000 2.562 352 G HA2 -0.401 3.559 3.960 0.001 0.000 0.223 352 G HA3 -0.401 3.559 3.960 0.001 0.000 0.223 352 G C 1.287 176.168 174.900 -0.033 0.000 1.102 352 G CA 1.683 46.712 45.100 -0.118 0.000 0.742 352 G HN 0.438 nan 8.290 nan 0.000 0.587 353 D N 0.262 120.670 120.400 0.014 0.000 2.350 353 D HA 0.190 4.830 4.640 0.001 0.000 0.216 353 D C 2.203 178.263 176.300 -0.401 0.000 0.968 353 D CA 0.992 54.995 54.000 0.005 0.000 0.894 353 D CB -0.217 40.678 40.800 0.159 0.000 0.909 353 D HN 0.262 nan 8.370 nan 0.000 0.520 354 A N -0.500 121.874 122.820 -0.742 0.000 2.387 354 A HA 0.258 4.578 4.320 0.001 0.000 0.234 354 A C 1.253 178.403 177.584 -0.723 0.000 1.253 354 A CA -0.117 51.032 52.037 -1.480 0.000 0.894 354 A CB 0.021 18.087 19.000 -1.558 0.000 0.963 354 A HN 0.232 nan 8.150 nan 0.000 0.508 355 I N -2.317 117.986 120.570 -0.445 0.000 3.623 355 I HA 0.171 4.341 4.170 0.001 0.000 0.253 355 I C 0.323 176.322 176.117 -0.196 0.000 1.144 355 I CA -0.092 61.018 61.300 -0.317 0.000 1.461 355 I CB -1.367 36.385 38.000 -0.414 0.000 1.575 355 I HN 0.263 nan 8.210 nan 0.000 0.445 356 Y N 1.891 122.169 120.300 -0.037 0.000 2.597 356 Y HA 0.340 4.891 4.550 0.001 0.000 0.336 356 Y C 1.729 177.634 175.900 0.009 0.000 1.216 356 Y CA 0.850 58.956 58.100 0.010 0.000 1.463 356 Y CB 0.062 38.542 38.460 0.033 0.000 1.303 356 Y HN 0.494 nan 8.280 nan 0.000 0.576 357 G N 1.145 110.068 108.800 0.205 0.000 2.180 357 G HA2 -0.339 3.621 3.960 0.001 0.000 0.263 357 G HA3 -0.339 3.621 3.960 0.001 0.000 0.263 357 G C 0.261 175.232 174.900 0.118 0.000 0.989 357 G CA 0.589 45.773 45.100 0.141 0.000 0.692 357 G HN 0.930 nan 8.290 nan 0.000 0.526 358 T N -2.520 112.091 114.554 0.094 0.000 2.824 358 T HA 0.753 5.103 4.350 0.001 0.000 0.277 358 T C 0.348 175.115 174.700 0.110 0.000 0.975 358 T CA 0.356 62.527 62.100 0.119 0.000 0.966 358 T CB 2.135 71.064 68.868 0.102 0.000 1.054 358 T HN 0.441 nan 8.240 nan 0.000 0.533 359 S N -0.468 115.315 115.700 0.139 0.000 2.709 359 S HA 0.687 5.158 4.470 0.001 0.000 0.302 359 S C 0.063 174.761 174.600 0.163 0.000 1.127 359 S CA -0.624 57.653 58.200 0.129 0.000 0.905 359 S CB 1.532 64.808 63.200 0.127 0.000 1.151 359 S HN 1.057 nan 8.310 nan 0.000 0.510 360 V N 0.040 120.050 119.914 0.160 0.000 3.003 360 V HA 0.590 4.711 4.120 0.001 0.000 0.305 360 V C -0.151 176.113 176.094 0.283 0.000 1.078 360 V CA -0.345 62.077 62.300 0.203 0.000 1.083 360 V CB 0.524 32.442 31.823 0.157 0.000 1.039 360 V HN 0.885 nan 8.190 nan 0.000 0.481 361 W N 1.295 122.642 121.300 0.078 0.000 2.600 361 W HA 0.472 5.133 4.660 0.001 0.000 0.517 361 W C 1.647 178.168 176.519 0.003 0.000 1.750 361 W CA -0.367 56.996 57.345 0.031 0.000 1.805 361 W CB 1.076 30.549 29.460 0.021 0.000 2.314 361 W HN 0.791 nan 8.180 nan 0.000 0.726 362 E N 0.256 120.013 120.200 -0.739 0.000 2.150 362 E HA -0.116 4.234 4.350 0.001 0.000 0.193 362 E C 0.331 176.710 176.600 -0.368 0.000 0.985 362 E CA 1.025 57.046 56.400 -0.631 0.000 0.814 362 E CB 0.044 29.163 29.700 -0.968 0.000 0.752 362 E HN 0.215 nan 8.360 nan 0.000 0.466 363 R N -0.464 119.850 120.500 -0.309 0.000 2.808 363 R HA 0.344 4.685 4.340 0.001 0.000 0.272 363 R C 0.746 177.226 176.300 0.300 0.000 0.995 363 R CA -0.373 55.710 56.100 -0.029 0.000 0.917 363 R CB 0.769 31.023 30.300 -0.078 0.000 1.217 363 R HN 0.066 nan 8.270 nan 0.000 0.471 364 C N -1.725 117.745 119.300 0.283 0.000 2.611 364 C HA 0.509 4.969 4.460 0.001 0.000 0.282 364 C C 0.453 175.611 174.990 0.279 0.000 1.321 364 C CA -0.232 58.970 59.018 0.305 0.000 1.747 364 C CB -0.915 26.918 27.740 0.155 0.000 2.124 364 C HN 0.633 nan 8.230 nan 0.000 0.531 365 C N 1.009 120.480 119.300 0.284 0.000 2.994 365 C HA 0.951 5.412 4.460 0.001 0.000 0.304 365 C C 0.090 175.209 174.990 0.215 0.000 1.273 365 C CA 0.279 59.361 59.018 0.108 0.000 1.537 365 C CB 0.955 28.713 27.740 0.029 0.000 2.001 365 C HN 0.939 nan 8.230 nan 0.000 0.471 366 A N 1.351 124.179 122.820 0.013 0.000 2.566 366 A HA 0.925 5.245 4.320 0.001 0.000 0.290 366 A C -1.748 175.775 177.584 -0.101 0.000 1.071 366 A CA -0.670 51.401 52.037 0.056 0.000 0.658 366 A CB 1.348 20.511 19.000 0.272 0.000 1.285 366 A HN 1.069 nan 8.150 nan 0.000 0.427 367 K N -0.532 119.828 120.400 -0.066 0.000 2.532 367 K HA 0.744 5.065 4.320 0.001 0.000 0.265 367 K C -0.400 176.166 176.600 -0.056 0.000 0.948 367 K CA -0.122 56.102 56.287 -0.105 0.000 0.842 367 K CB 1.701 34.156 32.500 -0.076 0.000 1.392 367 K HN 1.000 nan 8.250 nan 0.000 0.436 368 T N -1.748 112.777 114.554 -0.048 0.000 2.899 368 T HA 0.031 4.381 4.350 0.001 0.000 0.295 368 T C 1.113 175.831 174.700 0.031 0.000 1.033 368 T CA -0.298 61.820 62.100 0.031 0.000 1.084 368 T CB 1.308 70.235 68.868 0.099 0.000 0.979 368 T HN 0.868 nan 8.240 nan 0.000 0.532 369 E N 1.024 121.252 120.200 0.047 0.000 2.208 369 E HA -0.263 4.088 4.350 0.001 0.000 0.202 369 E C 1.248 177.865 176.600 0.029 0.000 1.014 369 E CA 1.797 58.219 56.400 0.037 0.000 0.819 369 E CB -0.113 29.615 29.700 0.045 0.000 0.735 369 E HN 0.884 nan 8.360 nan 0.000 0.469 370 D N -1.720 118.701 120.400 0.035 0.000 2.358 370 D HA 0.050 4.691 4.640 0.001 0.000 0.224 370 D C 0.881 177.191 176.300 0.017 0.000 1.123 370 D CA 0.548 54.564 54.000 0.027 0.000 0.833 370 D CB 0.437 41.258 40.800 0.035 0.000 0.946 370 D HN 0.277 nan 8.370 nan 0.000 0.505 371 G N 0.676 109.480 108.800 0.007 0.000 2.176 371 G HA2 -0.258 3.703 3.960 0.001 0.000 0.252 371 G HA3 -0.258 3.703 3.960 0.001 0.000 0.252 371 G C 0.203 175.087 174.900 -0.027 0.000 1.024 371 G CA 0.391 45.483 45.100 -0.013 0.000 0.755 371 G HN 0.437 nan 8.290 nan 0.000 0.507 372 T N 1.078 115.622 114.554 -0.017 0.000 2.856 372 T HA 0.445 4.796 4.350 0.001 0.000 0.292 372 T C 0.319 174.945 174.700 -0.124 0.000 0.980 372 T CA -0.348 61.731 62.100 -0.036 0.000 1.091 372 T CB 0.936 69.846 68.868 0.070 0.000 0.936 372 T HN 0.251 nan 8.240 nan 0.000 0.503 373 E N 3.046 123.134 120.200 -0.186 0.000 2.313 373 E HA 0.335 4.686 4.350 0.001 0.000 0.276 373 E C -0.226 176.141 176.600 -0.387 0.000 1.031 373 E CA -0.087 56.162 56.400 -0.251 0.000 0.857 373 E CB 1.264 30.830 29.700 -0.223 0.000 1.040 373 E HN 0.518 nan 8.360 nan 0.000 0.408 374 I N 2.851 123.145 120.570 -0.461 0.000 2.530 374 I HA 0.381 4.552 4.170 0.001 0.000 0.297 374 I C 0.166 175.897 176.117 -0.644 0.000 1.011 374 I CA -0.930 59.960 61.300 -0.683 0.000 1.107 374 I CB 1.415 38.899 38.000 -0.860 0.000 1.285 374 I HN 0.057 nan 8.210 nan 0.000 0.436 375 R N 4.184 124.269 120.500 -0.690 0.000 2.807 375 R HA 0.654 4.995 4.340 0.001 0.000 0.276 375 R C -1.468 174.407 176.300 -0.708 0.000 0.979 375 R CA -0.929 54.838 56.100 -0.556 0.000 0.928 375 R CB 1.932 32.072 30.300 -0.266 0.000 1.191 375 R HN 0.361 nan 8.270 nan 0.000 0.471 376 F N -0.397 119.573 119.950 0.034 0.000 2.561 376 F HA 0.643 5.171 4.527 0.001 0.000 0.321 376 F C 0.647 176.497 175.800 0.082 0.000 1.065 376 F CA -0.607 57.415 58.000 0.035 0.000 0.934 376 F CB 2.387 41.462 39.000 0.127 0.000 1.215 376 F HN 0.462 nan 8.300 nan 0.000 0.471 377 T N -0.906 113.807 114.554 0.266 0.000 2.883 377 T HA 0.640 4.990 4.350 0.001 0.000 0.301 377 T C -1.108 173.748 174.700 0.260 0.000 1.158 377 T CA -1.078 61.176 62.100 0.257 0.000 1.007 377 T CB 2.529 71.516 68.868 0.197 0.000 1.186 377 T HN 0.768 nan 8.240 nan 0.000 0.499 378 R N 0.021 120.666 120.500 0.240 0.000 2.854 378 R HA 0.724 5.064 4.340 0.001 0.000 0.271 378 R C -1.405 175.032 176.300 0.229 0.000 0.996 378 R CA -0.977 55.206 56.100 0.139 0.000 0.961 378 R CB 1.665 32.054 30.300 0.148 0.000 1.182 378 R HN 0.789 nan 8.270 nan 0.000 0.479 379 K N 2.525 123.011 120.400 0.144 0.000 2.897 379 K HA 0.215 4.536 4.320 0.001 0.000 0.243 379 K C -0.765 175.879 176.600 0.074 0.000 1.189 379 K CA -0.436 55.963 56.287 0.186 0.000 1.032 379 K CB 0.252 32.976 32.500 0.374 0.000 1.302 379 K HN 0.876 nan 8.250 nan 0.000 0.568 380 C N 0.580 119.921 119.300 0.068 0.000 1.440 380 C HA -0.342 4.119 4.460 0.001 0.000 0.081 380 C C 1.775 176.774 174.990 0.015 0.000 0.614 380 C CA 1.665 60.710 59.018 0.046 0.000 0.721 380 C CB -1.529 26.238 27.740 0.044 0.000 3.213 380 C HN 1.025 nan 8.230 nan 0.000 1.086 381 N N 1.700 120.393 118.700 -0.011 0.000 2.415 381 N HA 0.088 4.829 4.740 0.001 0.000 0.176 381 N C 0.324 175.761 175.510 -0.122 0.000 1.042 381 N CA 0.602 53.631 53.050 -0.035 0.000 0.902 381 N CB -0.207 38.270 38.487 -0.018 0.000 0.986 381 N HN 0.708 nan 8.380 nan 0.000 0.447 382 R N 0.636 121.028 120.500 -0.180 0.000 2.389 382 R HA 0.345 4.685 4.340 0.001 0.000 0.295 382 R C -0.460 175.473 176.300 -0.611 0.000 1.075 382 R CA -0.124 55.745 56.100 -0.386 0.000 1.005 382 R CB 0.885 30.936 30.300 -0.415 0.000 0.987 382 R HN 0.186 nan 8.270 nan 0.000 0.452 383 I N 4.271 124.426 120.570 -0.691 0.000 2.382 383 I HA 0.255 4.426 4.170 0.001 0.000 0.286 383 I C -0.603 175.093 176.117 -0.701 0.000 1.002 383 I CA -0.642 60.210 61.300 -0.747 0.000 1.135 383 I CB 1.027 38.495 38.000 -0.887 0.000 1.288 383 I HN 0.380 nan 8.210 nan 0.000 0.448 384 F N 5.694 125.542 119.950 -0.169 0.000 2.404 384 F HA 0.403 4.930 4.527 0.001 0.000 0.345 384 F C 0.242 175.991 175.800 -0.085 0.000 1.110 384 F CA -0.839 57.082 58.000 -0.132 0.000 1.130 384 F CB 1.148 40.042 39.000 -0.176 0.000 1.129 384 F HN 0.033 nan 8.300 nan 0.000 0.500 385 V N 5.593 125.564 119.914 0.096 0.000 2.313 385 V HA 0.365 4.486 4.120 0.001 0.000 0.278 385 V C -0.092 176.011 176.094 0.015 0.000 1.017 385 V CA -0.612 61.709 62.300 0.034 0.000 0.823 385 V CB 0.832 32.740 31.823 0.142 0.000 1.010 385 V HN 0.561 nan 8.190 nan 0.000 0.443 386 I N 5.181 125.664 120.570 -0.144 0.000 2.330 386 I HA 0.445 4.615 4.170 0.001 0.000 0.289 386 I C -0.496 175.528 176.117 -0.155 0.000 1.001 386 I CA -0.255 60.995 61.300 -0.084 0.000 1.193 386 I CB 1.235 39.163 38.000 -0.121 0.000 1.345 386 I HN 0.344 nan 8.210 nan 0.000 0.461 387 F N 5.934 125.762 119.950 -0.203 0.000 2.396 387 F HA 0.310 4.838 4.527 0.001 0.000 0.343 387 F C 0.597 176.228 175.800 -0.283 0.000 1.104 387 F CA -0.497 57.376 58.000 -0.212 0.000 1.161 387 F CB 0.889 39.811 39.000 -0.131 0.000 1.146 387 F HN 0.251 nan 8.300 nan 0.000 0.522 388 L N 4.215 125.271 121.223 -0.279 0.000 2.536 388 L HA 0.481 4.822 4.340 0.001 0.000 0.242 388 L C 0.503 176.991 176.870 -0.637 0.000 1.280 388 L CA -0.234 54.184 54.840 -0.703 0.000 1.221 388 L CB -1.156 40.371 42.059 -0.887 0.000 1.449 388 L HN 0.871 nan 8.230 nan 0.000 0.405 389 G N 1.401 110.086 108.800 -0.192 0.000 2.347 389 G HA2 0.043 4.003 3.960 0.001 0.000 0.477 389 G HA3 0.043 4.003 3.960 0.001 0.000 0.477 389 G C -1.158 173.776 174.900 0.058 0.000 1.349 389 G CA -1.013 44.097 45.100 0.017 0.000 1.000 389 G HN 0.123 nan 8.290 nan 0.000 0.605 390 I N 1.387 121.991 120.570 0.057 0.000 2.382 390 I HA 0.313 4.484 4.170 0.001 0.000 0.285 390 I C -2.054 174.062 176.117 -0.001 0.000 1.007 390 I CA -1.695 59.614 61.300 0.015 0.000 1.142 390 I CB 1.492 39.517 38.000 0.041 0.000 1.289 390 I HN 0.189 nan 8.210 nan 0.000 0.453 391 P HA 0.039 nan 4.420 nan 0.000 0.267 391 P C 0.942 178.231 177.300 -0.018 0.000 1.201 391 P CA 0.056 63.144 63.100 -0.020 0.000 0.775 391 P CB 0.716 32.381 31.700 -0.058 0.000 0.854 392 T N -1.388 113.167 114.554 0.000 0.000 2.837 392 T HA 0.134 4.484 4.350 0.001 0.000 0.248 392 T C 1.183 175.881 174.700 -0.003 0.000 1.033 392 T CA 0.464 62.565 62.100 0.001 0.000 1.150 392 T CB -1.119 67.755 68.868 0.009 0.000 0.865 392 T HN 0.474 nan 8.240 nan 0.000 0.425 393 G N 0.646 109.448 108.800 0.003 0.000 2.699 393 G HA2 0.243 4.203 3.960 0.001 0.000 0.246 393 G HA3 0.243 4.203 3.960 0.001 0.000 0.246 393 G C 0.283 175.180 174.900 -0.006 0.000 1.219 393 G CA -0.381 44.721 45.100 0.003 0.000 0.866 393 G HN 0.568 nan 8.290 nan 0.000 0.572 394 E N -0.721 119.477 120.200 -0.003 0.000 2.400 394 E HA 0.025 4.376 4.350 0.001 0.000 0.195 394 E C 0.945 177.548 176.600 0.006 0.000 1.012 394 E CA 0.001 56.396 56.400 -0.009 0.000 0.875 394 E CB 0.348 30.044 29.700 -0.007 0.000 0.859 394 E HN 0.389 nan 8.360 nan 0.000 0.498 395 K N 1.736 122.147 120.400 0.018 0.000 2.249 395 K HA 0.309 4.630 4.320 0.001 0.000 0.280 395 K C -0.856 175.772 176.600 0.047 0.000 1.033 395 K CA -0.026 56.282 56.287 0.036 0.000 0.946 395 K CB 0.638 33.160 32.500 0.036 0.000 1.005 395 K HN -0.064 nan 8.250 nan 0.000 0.469 396 I N 4.713 125.326 120.570 0.071 0.000 2.478 396 I HA 0.166 4.336 4.170 0.001 0.000 0.287 396 I C -1.109 175.089 176.117 0.134 0.000 1.042 396 I CA -1.075 60.289 61.300 0.108 0.000 1.067 396 I CB 2.184 40.249 38.000 0.110 0.000 1.233 396 I HN 0.296 nan 8.210 nan 0.000 0.431 397 V N 7.410 127.400 119.914 0.126 0.000 2.313 397 V HA 0.439 4.560 4.120 0.001 0.000 0.278 397 V C 0.143 176.307 176.094 0.117 0.000 1.017 397 V CA -0.466 61.902 62.300 0.113 0.000 0.823 397 V CB 1.198 33.069 31.823 0.080 0.000 1.010 397 V HN 0.454 nan 8.190 nan 0.000 0.443 398 I N 3.750 124.397 120.570 0.127 0.000 2.331 398 I HA 0.360 4.531 4.170 0.001 0.000 0.292 398 I C 0.578 176.747 176.117 0.087 0.000 0.998 398 I CA -0.380 60.980 61.300 0.100 0.000 1.267 398 I CB 1.255 39.327 38.000 0.120 0.000 1.386 398 I HN 0.603 nan 8.210 nan 0.000 0.476 399 E N 5.308 125.546 120.200 0.062 0.000 2.354 399 E HA 0.055 4.406 4.350 0.001 0.000 0.269 399 E C -0.756 175.881 176.600 0.060 0.000 1.036 399 E CA -0.239 56.194 56.400 0.054 0.000 0.876 399 E CB 0.433 30.154 29.700 0.035 0.000 1.009 399 E HN 0.477 nan 8.360 nan 0.000 0.416 400 D N 1.563 121.993 120.400 0.050 0.000 2.927 400 D HA -0.200 4.440 4.640 0.001 0.000 0.236 400 D C -1.079 175.254 176.300 0.055 0.000 1.163 400 D CA 0.749 54.775 54.000 0.042 0.000 0.801 400 D CB -0.816 40.003 40.800 0.032 0.000 0.975 400 D HN 0.119 nan 8.370 nan 0.000 0.413 401 L N 0.598 121.860 121.223 0.065 0.000 2.735 401 L HA 0.346 4.687 4.340 0.001 0.000 0.258 401 L C -1.678 175.246 176.870 0.090 0.000 0.920 401 L CA -0.348 54.539 54.840 0.079 0.000 0.958 401 L CB 1.780 43.916 42.059 0.128 0.000 1.499 401 L HN 0.126 nan 8.230 nan 0.000 0.441 402 N N 5.312 124.062 118.700 0.083 0.000 2.410 402 N HA 0.600 5.340 4.740 0.001 0.000 0.287 402 N C -1.492 174.093 175.510 0.125 0.000 1.044 402 N CA -0.717 52.395 53.050 0.102 0.000 0.881 402 N CB 2.256 40.785 38.487 0.070 0.000 1.405 402 N HN 0.454 nan 8.380 nan 0.000 0.490 403 L N 1.722 123.048 121.223 0.172 0.000 2.312 403 L HA 0.240 4.581 4.340 0.001 0.000 0.281 403 L C 1.613 178.594 176.870 0.185 0.000 1.070 403 L CA -0.137 54.806 54.840 0.172 0.000 0.805 403 L CB 1.508 43.645 42.059 0.131 0.000 1.174 403 L HN 0.672 nan 8.230 nan 0.000 0.434 404 S N 1.394 117.178 115.700 0.140 0.000 2.478 404 S HA 0.098 4.569 4.470 0.001 0.000 0.222 404 S C 0.978 175.656 174.600 0.130 0.000 1.008 404 S CA 0.060 58.328 58.200 0.114 0.000 0.928 404 S CB 0.022 63.272 63.200 0.082 0.000 0.781 404 S HN 0.659 nan 8.310 nan 0.000 0.518 405 A N 1.421 124.322 122.820 0.135 0.000 2.587 405 A HA 0.473 4.793 4.320 0.001 0.000 0.233 405 A C 1.532 179.251 177.584 0.225 0.000 1.049 405 A CA 0.319 52.429 52.037 0.122 0.000 0.754 405 A CB -0.416 18.603 19.000 0.033 0.000 0.977 405 A HN 0.463 nan 8.150 nan 0.000 0.509 406 G N 0.526 109.425 108.800 0.165 0.000 2.396 406 G HA2 0.229 4.190 3.960 0.001 0.000 0.214 406 G HA3 0.229 4.190 3.960 0.001 0.000 0.214 406 G C 0.815 175.902 174.900 0.311 0.000 1.166 406 G CA 1.381 46.594 45.100 0.188 0.000 0.793 406 G HN 1.055 nan 8.290 nan 0.000 0.533 407 T N -0.674 114.004 114.554 0.208 0.000 2.863 407 T HA 0.552 4.903 4.350 0.001 0.000 0.285 407 T C -1.464 173.218 174.700 -0.029 0.000 1.009 407 T CA -0.556 61.656 62.100 0.187 0.000 0.989 407 T CB 1.973 70.904 68.868 0.105 0.000 1.004 407 T HN -0.053 nan 8.240 nan 0.000 0.455 408 V N 6.263 126.103 119.914 -0.123 0.000 2.407 408 V HA 0.562 4.682 4.120 0.001 0.000 0.291 408 V C -0.034 176.021 176.094 -0.066 0.000 1.018 408 V CA -0.811 61.312 62.300 -0.295 0.000 0.842 408 V CB 1.449 32.805 31.823 -0.779 0.000 0.996 408 V HN 0.847 nan 8.190 nan 0.000 0.426 409 R N 2.305 122.794 120.500 -0.017 0.000 2.732 409 R HA 0.494 4.834 4.340 0.001 0.000 0.278 409 R C -0.333 176.038 176.300 0.117 0.000 0.976 409 R CA -0.876 55.259 56.100 0.058 0.000 0.963 409 R CB 1.685 32.014 30.300 0.047 0.000 1.150 409 R HN 0.764 nan 8.270 nan 0.000 0.478 410 H N 3.924 123.024 119.070 0.050 0.000 2.846 410 H HA -0.009 4.548 4.556 0.001 0.000 0.278 410 H C 0.497 175.892 175.328 0.111 0.000 1.117 410 H CA -0.116 55.981 56.048 0.082 0.000 1.406 410 H CB 0.303 30.092 29.762 0.045 0.000 1.445 410 H HN 0.674 nan 8.280 nan 0.000 0.469 411 F N 4.809 124.608 119.950 -0.251 0.000 2.054 411 F HA -0.396 4.131 4.527 0.001 0.000 0.294 411 F C 1.766 177.478 175.800 -0.146 0.000 1.126 411 F CA 2.032 59.947 58.000 -0.141 0.000 1.226 411 F CB -0.273 38.704 39.000 -0.037 0.000 0.947 411 F HN 0.537 nan 8.300 nan 0.000 0.509 412 L N 0.234 121.252 121.223 -0.342 0.000 2.187 412 L HA -0.162 4.178 4.340 0.001 0.000 0.213 412 L C 2.529 179.280 176.870 -0.199 0.000 1.100 412 L CA 2.437 57.081 54.840 -0.326 0.000 0.765 412 L CB -1.036 40.969 42.059 -0.090 0.000 0.904 412 L HN 0.632 nan 8.230 nan 0.000 0.437 413 T N -6.194 108.370 114.554 0.016 0.000 3.038 413 T HA 0.362 4.712 4.350 0.001 0.000 0.244 413 T C 1.541 176.240 174.700 -0.003 0.000 1.016 413 T CA 0.557 62.690 62.100 0.055 0.000 1.098 413 T CB 0.405 69.377 68.868 0.173 0.000 0.954 413 T HN 0.367 nan 8.240 nan 0.000 0.469 414 G N 1.545 110.354 108.800 0.015 0.000 2.194 414 G HA2 -0.206 3.754 3.960 0.001 0.000 0.236 414 G HA3 -0.206 3.754 3.960 0.001 0.000 0.236 414 G C -0.188 174.736 174.900 0.041 0.000 0.987 414 G CA -0.054 45.041 45.100 -0.009 0.000 0.635 414 G HN 0.664 nan 8.290 nan 0.000 0.520 415 E N 1.240 121.486 120.200 0.076 0.000 2.498 415 E HA 0.261 4.612 4.350 0.001 0.000 0.252 415 E C 0.900 177.544 176.600 0.073 0.000 1.025 415 E CA -0.210 56.225 56.400 0.058 0.000 0.938 415 E CB 0.518 30.237 29.700 0.031 0.000 0.947 415 E HN 0.383 nan 8.360 nan 0.000 0.478 416 R N 2.756 123.291 120.500 0.058 0.000 2.697 416 R HA 0.070 4.411 4.340 0.001 0.000 0.265 416 R C -0.417 175.935 176.300 0.087 0.000 1.009 416 R CA 0.652 56.797 56.100 0.074 0.000 1.099 416 R CB 0.319 30.661 30.300 0.069 0.000 0.965 416 R HN 0.453 nan 8.270 nan 0.000 0.428 417 L N 1.336 122.631 121.223 0.120 0.000 2.333 417 L HA 0.445 4.785 4.340 0.001 0.000 0.263 417 L C -0.390 176.622 176.870 0.238 0.000 1.014 417 L CA -1.019 53.903 54.840 0.136 0.000 0.820 417 L CB 2.214 44.343 42.059 0.117 0.000 1.352 417 L HN 0.720 nan 8.230 nan 0.000 0.421 418 S N 1.292 117.116 115.700 0.207 0.000 2.508 418 S HA 0.797 5.267 4.470 0.001 0.000 0.284 418 S C -0.814 173.983 174.600 0.329 0.000 1.192 418 S CA -0.400 57.931 58.200 0.218 0.000 1.070 418 S CB 0.815 64.072 63.200 0.094 0.000 1.004 418 S HN 0.448 nan 8.310 nan 0.000 0.493 419 F N 0.221 120.193 119.950 0.035 0.000 2.693 419 F HA 0.832 5.359 4.527 0.001 0.000 0.309 419 F C -1.276 174.546 175.800 0.037 0.000 1.129 419 F CA -1.105 56.921 58.000 0.043 0.000 0.948 419 F CB 1.226 40.259 39.000 0.055 0.000 1.315 419 F HN 0.861 nan 8.300 nan 0.000 0.447 420 K N 1.081 121.490 120.400 0.015 0.000 2.562 420 K HA 0.431 4.752 4.320 0.001 0.000 0.267 420 K C -1.942 174.698 176.600 0.066 0.000 0.938 420 K CA -0.867 55.359 56.287 -0.102 0.000 0.840 420 K CB 1.858 34.299 32.500 -0.098 0.000 1.390 420 K HN 0.599 nan 8.250 nan 0.000 0.428 421 N N 2.194 120.927 118.700 0.055 0.000 2.605 421 N HA 0.097 4.838 4.740 0.001 0.000 0.258 421 N C -0.511 175.029 175.510 0.050 0.000 1.156 421 N CA -0.125 52.976 53.050 0.084 0.000 1.008 421 N CB 0.842 39.379 38.487 0.082 0.000 1.354 421 N HN 0.361 nan 8.380 nan 0.000 0.509 422 V N 2.135 122.083 119.914 0.056 0.000 2.242 422 V HA 0.217 4.338 4.120 0.001 0.000 0.242 422 V C 1.488 177.606 176.094 0.039 0.000 1.240 422 V CA 0.351 62.675 62.300 0.040 0.000 1.211 422 V CB -0.903 30.947 31.823 0.045 0.000 1.338 422 V HN 0.885 nan 8.190 nan 0.000 0.499 423 G N 5.095 113.913 108.800 0.031 0.000 2.552 423 G HA2 -0.331 3.630 3.960 0.001 0.000 0.267 423 G HA3 -0.331 3.630 3.960 0.001 0.000 0.267 423 G C 0.746 175.665 174.900 0.032 0.000 1.174 423 G CA 0.416 45.533 45.100 0.027 0.000 0.955 423 G HN 0.848 nan 8.290 nan 0.000 0.546 424 K N 1.195 121.614 120.400 0.031 0.000 2.404 424 K HA 0.336 4.657 4.320 0.001 0.000 0.194 424 K C 0.608 177.234 176.600 0.044 0.000 1.023 424 K CA 0.725 57.031 56.287 0.031 0.000 1.094 424 K CB 0.096 32.610 32.500 0.023 0.000 0.841 424 K HN 0.403 nan 8.250 nan 0.000 0.523 425 N N 0.537 119.270 118.700 0.054 0.000 2.741 425 N HA 0.458 5.198 4.740 0.001 0.000 0.310 425 N C -1.756 173.811 175.510 0.094 0.000 1.295 425 N CA -0.872 52.221 53.050 0.072 0.000 0.893 425 N CB 1.242 39.769 38.487 0.067 0.000 1.247 425 N HN 0.102 nan 8.380 nan 0.000 0.596 426 L N -0.450 120.843 121.223 0.117 0.000 2.438 426 L HA 0.521 4.862 4.340 0.001 0.000 0.270 426 L C -1.228 175.739 176.870 0.161 0.000 0.972 426 L CA -0.275 54.659 54.840 0.157 0.000 0.831 426 L CB 1.625 43.790 42.059 0.177 0.000 1.273 426 L HN 0.507 nan 8.230 nan 0.000 0.405 427 E N 5.582 125.884 120.200 0.171 0.000 2.171 427 E HA 0.666 5.017 4.350 0.001 0.000 0.271 427 E C -1.128 175.592 176.600 0.200 0.000 0.916 427 E CA -0.489 56.004 56.400 0.156 0.000 0.774 427 E CB 2.354 32.121 29.700 0.111 0.000 1.128 427 E HN 0.558 nan 8.360 nan 0.000 0.403 428 I N 1.482 122.157 120.570 0.176 0.000 2.730 428 I HA 0.320 4.490 4.170 0.001 0.000 0.298 428 I C -0.542 175.642 176.117 0.111 0.000 1.089 428 I CA -0.825 60.580 61.300 0.176 0.000 1.041 428 I CB 2.520 40.609 38.000 0.148 0.000 1.235 428 I HN 0.381 nan 8.210 nan 0.000 0.423 429 T N 4.476 119.090 114.554 0.099 0.000 2.772 429 T HA 0.422 4.773 4.350 0.001 0.000 0.288 429 T C -0.317 174.400 174.700 0.029 0.000 0.994 429 T CA -0.459 61.673 62.100 0.054 0.000 0.951 429 T CB 1.376 70.272 68.868 0.047 0.000 0.933 429 T HN 0.201 nan 8.240 nan 0.000 0.447 430 V N 6.385 126.297 119.914 -0.004 0.000 2.311 430 V HA 0.301 4.422 4.120 0.001 0.000 0.275 430 V C -2.344 173.716 176.094 -0.056 0.000 1.022 430 V CA -2.379 59.899 62.300 -0.037 0.000 0.830 430 V CB 0.921 32.708 31.823 -0.060 0.000 1.012 430 V HN 0.643 nan 8.190 nan 0.000 0.452 431 P HA 0.080 nan 4.420 nan 0.000 0.261 431 P C 0.784 178.035 177.300 -0.081 0.000 1.203 431 P CA -0.032 63.029 63.100 -0.065 0.000 0.767 431 P CB 0.646 32.305 31.700 -0.069 0.000 0.785 432 K N 5.395 125.763 120.400 -0.053 0.000 2.163 432 K HA -0.280 4.041 4.320 0.001 0.000 0.210 432 K C 1.661 178.230 176.600 -0.053 0.000 1.048 432 K CA 2.307 58.567 56.287 -0.044 0.000 0.928 432 K CB -0.281 32.204 32.500 -0.026 0.000 0.716 432 K HN 0.447 nan 8.250 nan 0.000 0.459 433 K N -0.047 120.317 120.400 -0.060 0.000 2.074 433 K HA -0.185 4.136 4.320 0.001 0.000 0.209 433 K C 2.034 178.579 176.600 -0.090 0.000 1.048 433 K CA 1.917 58.168 56.287 -0.059 0.000 0.926 433 K CB -0.514 31.953 32.500 -0.056 0.000 0.713 433 K HN 0.121 nan 8.250 nan 0.000 0.444 434 L N 1.016 122.135 121.223 -0.174 0.000 2.005 434 L HA -0.103 4.238 4.340 0.001 0.000 0.207 434 L C 2.651 179.430 176.870 -0.152 0.000 1.072 434 L CA 1.020 55.656 54.840 -0.340 0.000 0.744 434 L CB -0.578 41.030 42.059 -0.751 0.000 0.895 434 L HN 0.170 nan 8.230 nan 0.000 0.433 435 L N -0.226 120.937 121.223 -0.100 0.000 2.051 435 L HA -0.247 4.094 4.340 0.001 0.000 0.214 435 L C 2.689 179.578 176.870 0.032 0.000 1.076 435 L CA 1.285 56.121 54.840 -0.008 0.000 0.758 435 L CB -0.619 41.420 42.059 -0.033 0.000 0.890 435 L HN 0.373 nan 8.230 nan 0.000 0.433 436 E N -0.420 119.786 120.200 0.010 0.000 2.268 436 E HA -0.127 4.223 4.350 0.001 0.000 0.195 436 E C 2.096 178.730 176.600 0.057 0.000 0.995 436 E CA 1.641 58.059 56.400 0.030 0.000 0.836 436 E CB -0.255 29.452 29.700 0.012 0.000 0.763 436 E HN 0.621 nan 8.360 nan 0.000 0.491 437 T N 0.563 115.157 114.554 0.066 0.000 2.821 437 T HA -0.075 4.275 4.350 0.001 0.000 0.267 437 T C 0.892 175.686 174.700 0.157 0.000 1.046 437 T CA 0.496 62.654 62.100 0.097 0.000 1.139 437 T CB -0.126 68.806 68.868 0.107 0.000 0.871 437 T HN 0.002 nan 8.240 nan 0.000 0.454 438 D N 1.977 122.518 120.400 0.236 0.000 2.378 438 D HA 0.239 4.880 4.640 0.001 0.000 0.238 438 D C -0.138 176.338 176.300 0.294 0.000 1.180 438 D CA 0.365 54.565 54.000 0.333 0.000 0.895 438 D CB 0.915 41.923 40.800 0.347 0.000 1.192 438 D HN 0.250 nan 8.370 nan 0.000 0.438 439 S N 1.040 117.000 115.700 0.434 0.000 2.478 439 S HA 0.368 4.839 4.470 0.001 0.000 0.312 439 S C 1.253 176.105 174.600 0.419 0.000 1.094 439 S CA -0.644 57.782 58.200 0.376 0.000 1.081 439 S CB 0.121 63.554 63.200 0.388 0.000 1.007 439 S HN 0.546 nan 8.310 nan 0.000 0.475 440 I N 1.640 122.370 120.570 0.267 0.000 4.092 440 I HA -0.320 3.851 4.170 0.001 0.000 0.112 440 I C 0.658 176.907 176.117 0.219 0.000 0.496 440 I CA 1.803 63.232 61.300 0.215 0.000 1.178 440 I CB -2.046 36.026 38.000 0.121 0.000 1.042 440 I HN 0.753 nan 8.210 nan 0.000 0.195 441 T N -0.418 114.255 114.554 0.197 0.000 2.881 441 T HA 0.638 4.989 4.350 0.001 0.000 0.290 441 T C -0.805 173.886 174.700 -0.016 0.000 1.000 441 T CA -0.815 61.325 62.100 0.066 0.000 0.978 441 T CB 2.511 71.398 68.868 0.031 0.000 0.997 441 T HN 0.262 nan 8.240 nan 0.000 0.443 442 L N 4.205 125.437 121.223 0.015 0.000 2.315 442 L HA 0.638 4.979 4.340 0.001 0.000 0.283 442 L C -0.900 175.972 176.870 0.004 0.000 1.089 442 L CA -0.102 54.713 54.840 -0.041 0.000 0.833 442 L CB 0.279 42.145 42.059 -0.322 0.000 1.170 442 L HN 0.648 nan 8.230 nan 0.000 0.442 443 V N 6.846 126.762 119.914 0.004 0.000 2.417 443 V HA 0.471 4.592 4.120 0.001 0.000 0.291 443 V C 0.259 176.402 176.094 0.082 0.000 1.024 443 V CA -0.596 61.714 62.300 0.016 0.000 0.861 443 V CB 1.439 33.169 31.823 -0.155 0.000 0.985 443 V HN 0.682 nan 8.190 nan 0.000 0.436 444 L N 3.456 124.761 121.223 0.137 0.000 2.313 444 L HA 0.758 5.098 4.340 0.001 0.000 0.268 444 L C -0.230 176.724 176.870 0.141 0.000 1.010 444 L CA -0.668 54.254 54.840 0.137 0.000 0.814 444 L CB 1.933 44.071 42.059 0.132 0.000 1.304 444 L HN 0.671 nan 8.230 nan 0.000 0.441 445 E N 0.701 120.957 120.200 0.093 0.000 2.263 445 E HA 0.676 5.026 4.350 0.001 0.000 0.268 445 E C -1.710 174.818 176.600 -0.120 0.000 0.884 445 E CA -0.612 55.787 56.400 -0.003 0.000 0.766 445 E CB 2.132 31.921 29.700 0.147 0.000 1.196 445 E HN 0.696 nan 8.360 nan 0.000 0.416 446 A N 3.356 126.033 122.820 -0.238 0.000 2.355 446 A HA 0.680 5.001 4.320 0.001 0.000 0.317 446 A C -1.152 176.291 177.584 -0.235 0.000 1.094 446 A CA -0.649 51.240 52.037 -0.246 0.000 0.764 446 A CB 1.511 20.334 19.000 -0.296 0.000 1.230 446 A HN 0.371 nan 8.150 nan 0.000 0.448 447 V N 2.357 122.184 119.914 -0.146 0.000 2.540 447 V HA 0.486 4.607 4.120 0.001 0.000 0.302 447 V C -0.079 175.987 176.094 -0.047 0.000 1.035 447 V CA -0.689 61.548 62.300 -0.105 0.000 0.873 447 V CB 1.222 33.005 31.823 -0.066 0.000 0.992 447 V HN 1.083 nan 8.190 nan 0.000 0.428 448 E N 0.000 120.180 120.200 -0.033 0.000 2.725 448 E HA 0.000 4.351 4.350 0.001 0.000 0.291 448 E CA 0.000 56.409 56.400 0.015 0.000 0.976 448 E CB 0.000 29.722 29.700 0.036 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440