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 2zwy_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 0.000 176.118 176.300 -0.303 0.000 0.893 7 R CA 0.000 55.962 56.100 -0.230 0.000 0.921 7 R CB 0.000 30.255 30.300 -0.074 0.000 0.687 8 Y N 1.304 121.608 120.300 0.007 0.000 2.310 8 Y HA 0.411 4.961 4.550 0.001 0.000 0.326 8 Y C 0.604 176.491 175.900 -0.021 0.000 1.151 8 Y CA -0.256 57.845 58.100 0.003 0.000 1.195 8 Y CB 0.999 39.490 38.460 0.052 0.000 1.210 8 Y HN 0.120 nan 8.280 nan 0.000 0.483 9 K N 4.195 124.648 120.400 0.089 0.000 2.098 9 K HA 0.299 4.619 4.320 0.001 0.000 0.258 9 K C -2.430 174.115 176.600 -0.092 0.000 0.973 9 K CA -1.992 54.291 56.287 -0.007 0.000 0.898 9 K CB 0.805 33.285 32.500 -0.033 0.000 1.057 9 K HN 0.330 nan 8.250 nan 0.000 0.447 10 P HA -0.017 nan 4.420 nan 0.000 0.235 10 P C -1.528 175.428 177.300 -0.573 0.000 1.765 10 P CA 0.263 63.096 63.100 -0.445 0.000 1.034 10 P CB -0.279 31.068 31.700 -0.589 0.000 1.984 11 D N -0.452 119.669 120.400 -0.465 0.000 2.736 11 D HA 0.034 4.675 4.640 0.001 0.000 0.223 11 D C 0.293 176.385 176.300 -0.346 0.000 1.231 11 D CA -0.766 52.919 54.000 -0.525 0.000 0.818 11 D CB 0.247 40.862 40.800 -0.310 0.000 1.587 11 D HN 0.031 nan 8.370 nan 0.000 0.463 12 W N 1.222 122.460 121.300 -0.103 0.000 2.318 12 W HA -0.162 4.498 4.660 0.000 0.000 0.313 12 W C 2.362 178.848 176.519 -0.055 0.000 1.221 12 W CA 1.068 58.369 57.345 -0.074 0.000 1.266 12 W CB -0.126 29.311 29.460 -0.039 0.000 1.150 12 W HN 0.606 nan 8.180 nan 0.000 0.496 13 E N 0.430 120.717 120.200 0.144 0.000 2.038 13 E HA -0.283 4.068 4.350 0.001 0.000 0.195 13 E C 2.379 179.013 176.600 0.058 0.000 1.000 13 E CA 1.898 58.349 56.400 0.085 0.000 0.803 13 E CB -0.395 29.334 29.700 0.048 0.000 0.750 13 E HN 0.105 nan 8.360 nan 0.000 0.448 14 S N 0.013 115.730 115.700 0.027 0.000 2.356 14 S HA -0.147 4.324 4.470 0.001 0.000 0.223 14 S C 2.044 176.700 174.600 0.093 0.000 1.032 14 S CA 1.123 59.352 58.200 0.048 0.000 1.005 14 S CB -0.342 62.871 63.200 0.022 0.000 0.867 14 S HN 0.328 nan 8.310 nan 0.000 0.449 15 L N 1.323 122.556 121.223 0.016 0.000 2.187 15 L HA -0.097 4.243 4.340 0.001 0.000 0.213 15 L C 2.733 179.521 176.870 -0.136 0.000 1.100 15 L CA 1.579 56.339 54.840 -0.133 0.000 0.765 15 L CB -0.500 41.382 42.059 -0.296 0.000 0.904 15 L HN 0.418 nan 8.230 nan 0.000 0.437 16 R N 0.799 121.321 120.500 0.038 0.000 2.127 16 R HA -0.228 4.112 4.340 0.001 0.000 0.238 16 R C 1.902 178.249 176.300 0.077 0.000 1.134 16 R CA 1.628 57.786 56.100 0.098 0.000 0.975 16 R CB -0.286 30.050 30.300 0.060 0.000 0.865 16 R HN 0.355 nan 8.270 nan 0.000 0.447 17 E N -0.136 120.120 120.200 0.093 0.000 2.284 17 E HA -0.215 4.135 4.350 0.001 0.000 0.200 17 E C -0.001 176.675 176.600 0.127 0.000 1.008 17 E CA 0.704 57.176 56.400 0.121 0.000 0.829 17 E CB -0.197 29.621 29.700 0.197 0.000 0.744 17 E HN 0.416 nan 8.360 nan 0.000 0.491 18 H N 0.884 119.909 119.070 -0.075 0.000 2.652 18 H HA 0.121 4.677 4.556 0.001 0.000 0.298 18 H C -0.530 174.682 175.328 -0.192 0.000 1.076 18 H CA 0.111 55.987 56.048 -0.286 0.000 1.360 18 H CB 0.520 29.688 29.762 -0.990 0.000 1.421 18 H HN -0.060 nan 8.280 nan 0.000 0.464 19 T N 1.222 115.492 114.554 -0.473 0.000 2.950 19 T HA 0.237 4.588 4.350 0.001 0.000 0.288 19 T C 0.246 174.713 174.700 -0.387 0.000 1.035 19 T CA -0.960 60.967 62.100 -0.288 0.000 1.028 19 T CB 1.693 70.460 68.868 -0.167 0.000 1.109 19 T HN 0.380 nan 8.240 nan 0.000 0.514 20 V N 3.863 123.685 119.914 -0.153 0.000 2.584 20 V HA 0.216 4.336 4.120 0.001 0.000 0.303 20 V C -1.858 174.116 176.094 -0.200 0.000 1.035 20 V CA -1.313 60.919 62.300 -0.113 0.000 1.172 20 V CB -0.238 31.606 31.823 0.036 0.000 0.896 20 V HN 0.852 nan 8.190 nan 0.000 0.486 21 P HA 0.082 nan 4.420 nan 0.000 0.269 21 P C 0.331 177.499 177.300 -0.221 0.000 1.217 21 P CA -0.090 62.861 63.100 -0.247 0.000 0.783 21 P CB 0.582 32.141 31.700 -0.235 0.000 0.898 22 K N 0.982 121.340 120.400 -0.071 0.000 2.097 22 K HA -0.120 4.201 4.320 0.001 0.000 0.206 22 K C 2.125 178.745 176.600 0.034 0.000 1.049 22 K CA 1.802 58.089 56.287 -0.002 0.000 0.933 22 K CB -0.386 32.154 32.500 0.066 0.000 0.717 22 K HN 0.693 nan 8.250 nan 0.000 0.442 23 W N 0.805 122.148 121.300 0.071 0.000 2.338 23 W HA -0.226 4.435 4.660 0.001 0.000 0.304 23 W C 1.635 178.185 176.519 0.051 0.000 1.212 23 W CA 0.500 57.886 57.345 0.068 0.000 1.264 23 W CB -1.064 28.446 29.460 0.083 0.000 1.142 23 W HN -0.054 nan 8.180 nan 0.000 0.512 24 F N 2.670 121.879 119.950 -1.235 0.000 2.113 24 F HA -0.191 4.336 4.527 0.001 0.000 0.297 24 F C 2.537 178.049 175.800 -0.479 0.000 1.103 24 F CA 2.492 59.746 58.000 -1.243 0.000 1.248 24 F CB -0.896 37.207 39.000 -1.495 0.000 0.999 24 F HN -0.186 nan 8.300 nan 0.000 0.475 25 D N 0.360 120.634 120.400 -0.210 0.000 2.104 25 D HA -0.211 4.429 4.640 0.001 0.000 0.194 25 D C 1.953 178.192 176.300 -0.101 0.000 0.994 25 D CA 1.448 55.380 54.000 -0.112 0.000 0.830 25 D CB -0.044 40.745 40.800 -0.019 0.000 0.959 25 D HN 0.349 nan 8.370 nan 0.000 0.452 26 K N 0.080 120.463 120.400 -0.028 0.000 2.296 26 K HA 0.063 4.384 4.320 0.001 0.000 0.200 26 K C 2.088 178.755 176.600 0.112 0.000 1.048 26 K CA 0.557 56.879 56.287 0.058 0.000 0.966 26 K CB 0.131 32.696 32.500 0.108 0.000 0.754 26 K HN 0.034 nan 8.250 nan 0.000 0.466 27 A N 1.834 124.701 122.820 0.080 0.000 1.902 27 A HA -0.235 4.086 4.320 0.001 0.000 0.217 27 A C 0.960 178.690 177.584 0.245 0.000 1.181 27 A CA 1.774 53.939 52.037 0.214 0.000 0.623 27 A CB -0.072 19.094 19.000 0.276 0.000 0.818 27 A HN 0.180 nan 8.150 nan 0.000 0.443 28 K N -3.530 116.890 120.400 0.033 0.000 3.870 28 K HA -0.248 4.073 4.320 0.001 0.000 0.370 28 K C 0.135 176.788 176.600 0.089 0.000 0.607 28 K CA 2.149 58.438 56.287 0.002 0.000 1.617 28 K CB -1.867 30.627 32.500 -0.010 0.000 1.221 28 K HN 0.692 nan 8.250 nan 0.000 0.485 29 F N 0.109 120.048 119.950 -0.018 0.000 2.539 29 F HA 0.558 5.085 4.527 0.001 0.000 0.318 29 F C 0.200 175.791 175.800 -0.348 0.000 1.135 29 F CA -0.163 57.760 58.000 -0.128 0.000 0.915 29 F CB 2.191 41.158 39.000 -0.055 0.000 1.176 29 F HN 0.090 nan 8.300 nan 0.000 0.440 30 G N 5.822 113.972 108.800 -1.083 0.000 2.672 30 G HA2 0.606 4.566 3.960 0.001 0.000 0.292 30 G HA3 0.606 4.566 3.960 0.001 0.000 0.292 30 G C -2.066 172.120 174.900 -1.189 0.000 1.375 30 G CA -0.749 43.374 45.100 -1.629 0.000 0.890 30 G HN 0.417 nan 8.290 nan 0.000 0.476 31 I N 1.124 121.120 120.570 -0.957 0.000 2.378 31 I HA 0.419 4.590 4.170 0.001 0.000 0.291 31 I C -0.758 175.123 176.117 -0.393 0.000 0.992 31 I CA -1.211 59.674 61.300 -0.692 0.000 1.154 31 I CB 1.213 38.631 38.000 -0.970 0.000 1.315 31 I HN 0.206 nan 8.210 nan 0.000 0.448 32 F N 6.876 126.621 119.950 -0.342 0.000 2.377 32 F HA 0.547 5.074 4.527 0.001 0.000 0.328 32 F C 0.302 176.011 175.800 -0.151 0.000 1.094 32 F CA -1.291 56.590 58.000 -0.198 0.000 1.093 32 F CB 1.062 39.998 39.000 -0.107 0.000 1.214 32 F HN 0.188 nan 8.300 nan 0.000 0.518 33 I N 4.045 124.712 120.570 0.161 0.000 2.540 33 I HA 0.112 4.282 4.170 0.001 0.000 0.280 33 I C -1.346 174.843 176.117 0.120 0.000 1.083 33 I CA -0.595 60.744 61.300 0.065 0.000 1.080 33 I CB 1.220 39.221 38.000 0.002 0.000 1.205 33 I HN 0.358 nan 8.210 nan 0.000 0.459 34 H N 4.841 123.877 119.070 -0.057 0.000 2.820 34 H HA 0.320 4.876 4.556 0.001 0.000 0.278 34 H C -1.335 174.174 175.328 0.302 0.000 1.142 34 H CA -0.157 55.909 56.048 0.031 0.000 1.346 34 H CB 0.467 30.209 29.762 -0.033 0.000 1.438 34 H HN 0.525 nan 8.280 nan 0.000 0.473 35 W N 3.608 124.950 121.300 0.070 0.000 3.042 35 W HA 0.577 5.237 4.660 0.001 0.000 0.337 35 W C -0.620 175.672 176.519 -0.379 0.000 1.086 35 W CA -0.701 56.598 57.345 -0.076 0.000 1.236 35 W CB 1.432 30.971 29.460 0.132 0.000 1.381 35 W HN 0.692 nan 8.180 nan 0.000 0.472 36 G N 3.901 111.976 108.800 -1.208 0.000 2.490 36 G HA2 0.183 4.143 3.960 0.001 0.000 0.308 36 G HA3 0.183 4.143 3.960 0.001 0.000 0.308 36 G C 0.444 174.123 174.900 -2.035 0.000 1.286 36 G CA -0.194 43.976 45.100 -1.549 0.000 0.825 36 G HN 1.034 nan 8.290 nan 0.000 0.479 37 I N -0.905 118.768 120.570 -1.496 0.000 2.657 37 I HA -0.120 4.050 4.170 0.001 0.000 0.261 37 I C 2.008 177.602 176.117 -0.872 0.000 1.212 37 I CA 1.735 62.347 61.300 -1.147 0.000 1.453 37 I CB -0.483 37.039 38.000 -0.796 0.000 1.092 37 I HN 0.544 nan 8.210 nan 0.000 0.452 38 Y N 0.625 120.656 120.300 -0.449 0.000 2.561 38 Y HA 0.226 4.776 4.550 0.001 0.000 0.291 38 Y C 2.334 178.018 175.900 -0.360 0.000 1.141 38 Y CA 0.354 58.261 58.100 -0.321 0.000 1.303 38 Y CB -1.303 37.144 38.460 -0.021 0.000 1.015 38 Y HN 0.044 nan 8.280 nan 0.000 0.547 39 S N 0.226 115.561 115.700 -0.608 0.000 2.507 39 S HA -0.087 4.383 4.470 0.001 0.000 0.235 39 S C 1.882 176.401 174.600 -0.135 0.000 0.988 39 S CA 1.018 59.094 58.200 -0.206 0.000 0.944 39 S CB -0.443 62.637 63.200 -0.201 0.000 0.762 39 S HN 0.383 nan 8.310 nan 0.000 0.526 40 V N 2.975 122.649 119.914 -0.400 0.000 2.249 40 V HA -0.051 4.069 4.120 0.001 0.000 0.239 40 V C -0.350 175.568 176.094 -0.294 0.000 1.038 40 V CA 1.145 63.276 62.300 -0.281 0.000 1.005 40 V CB -1.921 29.721 31.823 -0.301 0.000 0.646 40 V HN 0.286 nan 8.190 nan 0.000 0.455 41 P HA -0.175 nan 4.420 nan 0.000 0.218 41 P C 1.296 178.603 177.300 0.012 0.000 1.146 41 P CA 1.943 64.807 63.100 -0.394 0.000 0.813 41 P CB -0.442 30.622 31.700 -1.059 0.000 0.778 42 G N -0.409 108.361 108.800 -0.050 0.000 2.422 42 G HA2 -0.227 3.733 3.960 0.001 0.000 0.301 42 G HA3 -0.227 3.733 3.960 0.001 0.000 0.301 42 G C -0.534 174.354 174.900 -0.019 0.000 0.981 42 G CA 0.365 45.478 45.100 0.022 0.000 0.994 42 G HN 0.464 nan 8.290 nan 0.000 0.514 43 W N -0.477 120.762 121.300 -0.102 0.000 2.936 43 W HA 0.708 5.369 4.660 0.001 0.000 0.338 43 W C -0.359 176.119 176.519 -0.068 0.000 1.121 43 W CA -0.141 57.102 57.345 -0.169 0.000 1.209 43 W CB 1.870 31.122 29.460 -0.348 0.000 1.420 43 W HN 0.864 nan 8.180 nan 0.000 0.516 44 A N 1.984 124.372 122.820 -0.720 0.000 2.582 44 A HA 0.493 4.813 4.320 0.001 0.000 0.297 44 A C -0.634 176.294 177.584 -1.093 0.000 1.059 44 A CA -0.562 51.083 52.037 -0.653 0.000 0.705 44 A CB 0.671 19.507 19.000 -0.274 0.000 1.279 44 A HN 0.727 nan 8.150 nan 0.000 0.404 45 T N 1.487 115.509 114.554 -0.886 0.000 2.738 45 T HA 0.503 4.854 4.350 0.001 0.000 0.293 45 T C -2.116 172.287 174.700 -0.496 0.000 0.913 45 T CA -1.414 60.273 62.100 -0.687 0.000 1.103 45 T CB 0.415 69.043 68.868 -0.401 0.000 0.880 45 T HN 0.403 nan 8.240 nan 0.000 0.526 46 P HA 0.084 nan 4.420 nan 0.000 0.245 46 P C 0.711 177.827 177.300 -0.307 0.000 1.670 46 P CA -0.144 62.684 63.100 -0.452 0.000 1.146 46 P CB -0.113 31.154 31.700 -0.721 0.000 1.954 47 T N 0.107 114.491 114.554 -0.282 0.000 2.812 47 T HA 0.152 4.502 4.350 0.001 0.000 0.264 47 T C 1.143 175.784 174.700 -0.099 0.000 1.042 47 T CA 1.551 63.532 62.100 -0.200 0.000 1.140 47 T CB -0.140 68.563 68.868 -0.274 0.000 0.870 47 T HN 0.550 nan 8.240 nan 0.000 0.445 48 G N 0.036 108.788 108.800 -0.080 0.000 2.404 48 G HA2 0.330 4.290 3.960 0.001 0.000 0.253 48 G HA3 0.330 4.290 3.960 0.001 0.000 0.253 48 G C -2.092 172.856 174.900 0.079 0.000 1.253 48 G CA -0.907 44.214 45.100 0.034 0.000 0.917 48 G HN 0.226 nan 8.290 nan 0.000 0.480 49 E N 0.079 120.363 120.200 0.139 0.000 2.166 49 E HA 0.487 4.838 4.350 0.001 0.000 0.275 49 E C -0.588 176.066 176.600 0.090 0.000 0.941 49 E CA -0.863 55.589 56.400 0.087 0.000 0.784 49 E CB 2.719 32.534 29.700 0.192 0.000 1.115 49 E HN 0.439 nan 8.360 nan 0.000 0.399 50 L N 2.433 123.564 121.223 -0.153 0.000 2.578 50 L HA 0.086 4.427 4.340 0.001 0.000 0.279 50 L C 1.137 178.017 176.870 0.016 0.000 1.227 50 L CA 2.070 56.717 54.840 -0.321 0.000 0.900 50 L CB -0.137 41.673 42.059 -0.415 0.000 1.144 50 L HN 0.882 nan 8.230 nan 0.000 0.496 51 G N 3.119 111.888 108.800 -0.052 0.000 2.232 51 G HA2 -0.230 3.730 3.960 0.001 0.000 0.226 51 G HA3 -0.230 3.730 3.960 0.001 0.000 0.226 51 G C 1.044 175.993 174.900 0.083 0.000 0.996 51 G CA 0.317 45.470 45.100 0.090 0.000 0.626 51 G HN 0.583 nan 8.290 nan 0.000 0.509 52 K N -0.324 120.160 120.400 0.141 0.000 2.424 52 K HA 0.358 4.678 4.320 0.001 0.000 0.198 52 K C 0.811 177.462 176.600 0.085 0.000 1.190 52 K CA 0.442 56.785 56.287 0.093 0.000 0.935 52 K CB 1.199 33.792 32.500 0.156 0.000 1.087 52 K HN 0.295 nan 8.250 nan 0.000 0.524 53 V N 6.170 126.161 119.914 0.129 0.000 2.432 53 V HA 0.118 4.239 4.120 0.001 0.000 0.271 53 V C -2.201 173.970 176.094 0.128 0.000 1.046 53 V CA -1.652 60.751 62.300 0.172 0.000 0.945 53 V CB 0.771 32.813 31.823 0.364 0.000 0.992 53 V HN 0.115 nan 8.190 nan 0.000 0.471 54 P HA 0.059 nan 4.420 nan 0.000 0.262 54 P C 0.642 178.017 177.300 0.124 0.000 1.199 54 P CA -0.059 63.089 63.100 0.080 0.000 0.763 54 P CB 0.650 32.395 31.700 0.075 0.000 0.790 55 M N 1.445 121.091 119.600 0.076 0.000 2.700 55 M HA -0.066 4.415 4.480 0.001 0.000 0.249 55 M C 0.443 176.906 176.300 0.270 0.000 1.082 55 M CA 1.120 56.481 55.300 0.102 0.000 1.077 55 M CB -1.097 31.490 32.600 -0.022 0.000 1.477 55 M HN 0.271 nan 8.290 nan 0.000 0.529 56 D N 0.245 120.813 120.400 0.281 0.000 2.349 56 D HA 0.149 4.790 4.640 0.001 0.000 0.215 56 D C 1.660 178.248 176.300 0.480 0.000 1.016 56 D CA 0.551 54.807 54.000 0.426 0.000 0.870 56 D CB 0.447 41.417 40.800 0.283 0.000 0.917 56 D HN 0.346 nan 8.370 nan 0.000 0.524 57 A N -0.592 122.443 122.820 0.357 0.000 2.138 57 A HA 0.042 4.362 4.320 0.001 0.000 0.203 57 A C 1.825 179.595 177.584 0.310 0.000 1.286 57 A CA -0.310 51.944 52.037 0.362 0.000 0.929 57 A CB -0.749 18.347 19.000 0.159 0.000 0.975 57 A HN 0.278 nan 8.150 nan 0.000 0.480 58 W N 0.986 122.255 121.300 -0.052 0.000 2.280 58 W HA -0.338 4.323 4.660 0.001 0.000 0.332 58 W C 1.292 177.487 176.519 -0.540 0.000 1.300 58 W CA 2.464 59.588 57.345 -0.369 0.000 1.274 58 W CB -0.798 28.297 29.460 -0.608 0.000 1.141 58 W HN 0.375 nan 8.180 nan 0.000 0.474 59 F N -0.618 119.212 119.950 -0.201 0.000 2.451 59 F HA -0.131 4.396 4.527 0.001 0.000 0.299 59 F C 2.026 177.467 175.800 -0.599 0.000 1.101 59 F CA 1.201 58.904 58.000 -0.496 0.000 1.436 59 F CB -1.063 37.616 39.000 -0.536 0.000 1.074 59 F HN -0.223 nan 8.300 nan 0.000 0.553 60 F N -0.655 119.240 119.950 -0.092 0.000 2.512 60 F HA 0.038 4.565 4.527 0.001 0.000 0.296 60 F C 1.066 176.798 175.800 -0.113 0.000 1.110 60 F CA 0.544 58.495 58.000 -0.082 0.000 1.446 60 F CB -0.325 38.638 39.000 -0.061 0.000 1.092 60 F HN -0.089 nan 8.300 nan 0.000 0.554 61 Q N 0.307 120.075 119.800 -0.054 0.000 2.506 61 Q HA 0.129 4.469 4.340 0.001 0.000 0.380 61 Q C -0.567 175.174 176.000 -0.431 0.000 0.867 61 Q CA -0.422 55.288 55.803 -0.154 0.000 1.093 61 Q CB 0.267 28.934 28.738 -0.119 0.000 1.388 61 Q HN 0.017 nan 8.270 nan 0.000 0.400 62 N N 2.957 121.360 118.700 -0.495 0.000 2.411 62 N HA -0.007 4.733 4.740 0.001 0.000 0.261 62 N C -1.594 173.561 175.510 -0.592 0.000 1.248 62 N CA -0.764 51.809 53.050 -0.795 0.000 0.885 62 N CB 0.992 39.193 38.487 -0.477 0.000 1.062 62 N HN 0.218 nan 8.380 nan 0.000 0.471 63 P HA 0.021 nan 4.420 nan 0.000 0.251 63 P C -0.472 176.780 177.300 -0.081 0.000 1.223 63 P CA 0.388 63.233 63.100 -0.426 0.000 0.796 63 P CB 0.257 31.676 31.700 -0.469 0.000 1.068 64 Y N 1.093 121.234 120.300 -0.264 0.000 2.595 64 Y HA 0.398 4.948 4.550 0.001 0.000 0.347 64 Y C 1.937 177.885 175.900 0.081 0.000 1.025 64 Y CA -1.532 56.575 58.100 0.011 0.000 1.295 64 Y CB -0.140 38.409 38.460 0.149 0.000 1.147 64 Y HN -0.027 nan 8.280 nan 0.000 0.515 65 A N 2.877 125.780 122.820 0.138 0.000 1.986 65 A HA -0.219 4.102 4.320 0.001 0.000 0.220 65 A C 2.091 179.763 177.584 0.147 0.000 1.171 65 A CA 1.812 53.933 52.037 0.140 0.000 0.640 65 A CB -0.262 18.772 19.000 0.056 0.000 0.811 65 A HN 0.710 nan 8.150 nan 0.000 0.451 66 E N -1.103 119.077 120.200 -0.033 0.000 2.333 66 E HA -0.225 4.126 4.350 0.001 0.000 0.198 66 E C 0.997 177.468 176.600 -0.215 0.000 1.007 66 E CA 0.866 56.876 56.400 -0.650 0.000 0.845 66 E CB -0.609 28.307 29.700 -1.306 0.000 0.766 66 E HN 0.809 nan 8.360 nan 0.000 0.507 67 W N 0.635 121.982 121.300 0.078 0.000 3.292 67 W HA 0.163 4.823 4.660 0.001 0.000 0.263 67 W C 1.597 178.227 176.519 0.184 0.000 1.318 67 W CA -0.659 56.863 57.345 0.295 0.000 1.663 67 W CB -0.790 28.849 29.460 0.299 0.000 1.114 67 W HN 0.126 nan 8.180 nan 0.000 0.706 68 Y N 1.465 121.871 120.300 0.177 0.000 2.062 68 Y HA -0.423 4.127 4.550 0.001 0.000 0.276 68 Y C 2.558 178.426 175.900 -0.054 0.000 1.189 68 Y CA 2.695 60.880 58.100 0.142 0.000 1.130 68 Y CB -0.323 38.287 38.460 0.250 0.000 0.959 68 Y HN 0.087 nan 8.280 nan 0.000 0.499 69 E N -0.288 119.853 120.200 -0.098 0.000 2.085 69 E HA -0.308 4.042 4.350 0.001 0.000 0.194 69 E C 2.029 178.313 176.600 -0.527 0.000 0.994 69 E CA 1.428 57.533 56.400 -0.493 0.000 0.801 69 E CB -0.360 28.814 29.700 -0.877 0.000 0.743 69 E HN 0.563 nan 8.360 nan 0.000 0.453 70 N N -0.092 118.119 118.700 -0.816 0.000 2.043 70 N HA -0.156 4.585 4.740 0.001 0.000 0.193 70 N C 1.822 177.135 175.510 -0.327 0.000 1.037 70 N CA 2.106 54.663 53.050 -0.822 0.000 0.851 70 N CB -0.181 37.809 38.487 -0.828 0.000 1.027 70 N HN -0.022 nan 8.380 nan 0.000 0.422 71 S N -0.090 115.521 115.700 -0.148 0.000 2.374 71 S HA -0.140 4.331 4.470 0.001 0.000 0.227 71 S C 1.704 176.242 174.600 -0.103 0.000 1.037 71 S CA 0.947 59.094 58.200 -0.087 0.000 1.024 71 S CB -0.494 62.686 63.200 -0.034 0.000 0.861 71 S HN 0.345 nan 8.310 nan 0.000 0.456 72 L N 1.888 122.998 121.223 -0.188 0.000 2.191 72 L HA 0.036 4.376 4.340 0.001 0.000 0.212 72 L C 2.020 178.905 176.870 0.025 0.000 1.103 72 L CA 1.561 56.334 54.840 -0.111 0.000 0.769 72 L CB -0.439 41.493 42.059 -0.211 0.000 0.908 72 L HN 0.136 nan 8.230 nan 0.000 0.438 73 R N -0.748 119.693 120.500 -0.099 0.000 2.280 73 R HA 0.099 4.440 4.340 0.001 0.000 0.207 73 R C 0.254 176.502 176.300 -0.087 0.000 1.043 73 R CA 0.328 56.370 56.100 -0.096 0.000 1.006 73 R CB -0.201 29.974 30.300 -0.209 0.000 0.885 73 R HN 0.312 nan 8.270 nan 0.000 0.467 74 I N 2.102 122.626 120.570 -0.076 0.000 2.282 74 I HA 0.084 4.255 4.170 0.001 0.000 0.290 74 I C 0.110 176.176 176.117 -0.084 0.000 1.090 74 I CA -0.348 60.908 61.300 -0.073 0.000 1.231 74 I CB 0.772 38.734 38.000 -0.063 0.000 1.434 74 I HN -0.124 nan 8.210 nan 0.000 0.487 75 K N 5.671 125.920 120.400 -0.251 0.000 2.485 75 K HA 0.010 4.331 4.320 0.001 0.000 0.277 75 K C -0.006 176.324 176.600 -0.450 0.000 0.990 75 K CA 0.356 56.238 56.287 -0.674 0.000 0.994 75 K CB 0.259 32.292 32.500 -0.779 0.000 0.906 75 K HN 0.515 nan 8.250 nan 0.000 0.488 76 E N 0.498 120.377 120.200 -0.536 0.000 2.811 76 E HA -0.217 4.133 4.350 0.001 0.000 0.150 76 E C -1.190 175.456 176.600 0.077 0.000 1.823 76 E CA 0.581 56.937 56.400 -0.073 0.000 0.661 76 E CB -1.156 28.453 29.700 -0.152 0.000 1.086 76 E HN 0.611 nan 8.360 nan 0.000 0.354 77 S N 0.106 115.936 115.700 0.217 0.000 2.550 77 S HA 0.557 5.027 4.470 0.001 0.000 0.270 77 S C -2.431 172.316 174.600 0.246 0.000 1.145 77 S CA -1.593 56.732 58.200 0.207 0.000 0.852 77 S CB 2.465 65.777 63.200 0.188 0.000 1.119 77 S HN -0.123 nan 8.310 nan 0.000 0.465 78 P HA -0.188 nan 4.420 nan 0.000 0.218 78 P C 1.490 178.956 177.300 0.277 0.000 1.165 78 P CA 2.471 65.759 63.100 0.313 0.000 0.922 78 P CB -0.385 31.540 31.700 0.375 0.000 0.794 79 T N -2.251 112.483 114.554 0.300 0.000 2.699 79 T HA -0.233 4.117 4.350 0.001 0.000 0.268 79 T C 1.408 176.111 174.700 0.005 0.000 1.036 79 T CA 1.567 63.725 62.100 0.098 0.000 1.147 79 T CB -1.080 67.788 68.868 0.001 0.000 0.862 79 T HN 0.235 nan 8.240 nan 0.000 0.446 80 W N 2.111 123.390 121.300 -0.034 0.000 2.354 80 W HA -0.111 4.549 4.660 0.001 0.000 0.315 80 W C 2.296 178.832 176.519 0.029 0.000 1.206 80 W CA 1.282 58.622 57.345 -0.009 0.000 1.290 80 W CB -0.193 29.263 29.460 -0.006 0.000 1.152 80 W HN 0.253 nan 8.180 nan 0.000 0.489 81 E N -0.997 119.318 120.200 0.192 0.000 2.058 81 E HA -0.325 4.025 4.350 0.001 0.000 0.194 81 E C 1.929 178.421 176.600 -0.179 0.000 0.997 81 E CA 1.827 58.236 56.400 0.014 0.000 0.801 81 E CB -1.068 28.721 29.700 0.148 0.000 0.746 81 E HN 0.471 nan 8.360 nan 0.000 0.450 82 Y N 1.005 121.100 120.300 -0.342 0.000 2.224 82 Y HA -0.279 4.271 4.550 0.001 0.000 0.289 82 Y C 2.378 178.042 175.900 -0.393 0.000 1.146 82 Y CA 2.209 59.970 58.100 -0.566 0.000 1.182 82 Y CB -0.332 37.342 38.460 -1.311 0.000 0.983 82 Y HN 0.137 nan 8.280 nan 0.000 0.524 83 H N -0.897 117.986 119.070 -0.311 0.000 2.326 83 H HA -0.122 4.434 4.556 0.001 0.000 0.301 83 H C 2.106 177.227 175.328 -0.344 0.000 1.081 83 H CA 2.437 58.370 56.048 -0.190 0.000 1.334 83 H CB -0.383 29.315 29.762 -0.107 0.000 1.385 83 H HN 0.191 nan 8.280 nan 0.000 0.504 84 V N 0.901 120.542 119.914 -0.456 0.000 2.343 84 V HA -0.229 3.892 4.120 0.001 0.000 0.247 84 V C 2.209 178.051 176.094 -0.420 0.000 1.051 84 V CA 2.149 64.157 62.300 -0.485 0.000 1.036 84 V CB -0.404 31.000 31.823 -0.698 0.000 0.654 84 V HN 0.409 nan 8.190 nan 0.000 0.451 85 K N -0.025 120.111 120.400 -0.439 0.000 2.057 85 K HA -0.118 4.202 4.320 0.001 0.000 0.206 85 K C 2.238 178.528 176.600 -0.517 0.000 1.050 85 K CA 1.888 57.935 56.287 -0.400 0.000 0.935 85 K CB -0.420 31.872 32.500 -0.347 0.000 0.715 85 K HN 0.463 nan 8.250 nan 0.000 0.439 86 T N -0.274 113.815 114.554 -0.776 0.000 2.851 86 T HA -0.054 4.296 4.350 0.001 0.000 0.262 86 T C 1.258 175.337 174.700 -1.035 0.000 1.043 86 T CA 1.146 62.661 62.100 -0.975 0.000 1.140 86 T CB -0.092 67.921 68.868 -1.424 0.000 0.872 86 T HN 0.230 nan 8.240 nan 0.000 0.446 87 Y N 0.430 120.299 120.300 -0.717 0.000 2.467 87 Y HA 0.475 5.026 4.550 0.001 0.000 0.259 87 Y C 1.405 176.992 175.900 -0.522 0.000 1.084 87 Y CA -0.015 57.593 58.100 -0.820 0.000 1.275 87 Y CB 0.672 38.211 38.460 -1.535 0.000 1.208 87 Y HN 0.356 nan 8.280 nan 0.000 0.511 88 G N 0.880 109.495 108.800 -0.307 0.000 2.662 88 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 88 G HA3 -0.189 3.771 3.960 0.001 0.000 0.686 88 G C 0.138 175.032 174.900 -0.011 0.000 1.271 88 G CA -0.209 44.811 45.100 -0.133 0.000 0.816 88 G HN 0.177 nan 8.290 nan 0.000 0.608 89 E N 0.076 120.281 120.200 0.009 0.000 2.031 89 E HA -0.157 4.193 4.350 0.001 0.000 0.193 89 E C 2.000 178.694 176.600 0.157 0.000 0.994 89 E CA 1.227 57.679 56.400 0.088 0.000 0.800 89 E CB -0.019 29.736 29.700 0.092 0.000 0.752 89 E HN 0.439 nan 8.360 nan 0.000 0.447 90 N N 0.074 118.845 118.700 0.118 0.000 2.654 90 N HA -0.118 4.623 4.740 0.001 0.000 0.204 90 N C -1.010 174.565 175.510 0.108 0.000 1.446 90 N CA 0.205 53.309 53.050 0.090 0.000 0.895 90 N CB -0.459 38.059 38.487 0.051 0.000 1.132 90 N HN -0.006 nan 8.380 nan 0.000 0.462 91 F N 0.804 120.781 119.950 0.045 0.000 2.451 91 F HA 0.329 4.857 4.527 0.001 0.000 0.367 91 F C -0.481 175.371 175.800 0.087 0.000 1.100 91 F CA -1.142 56.869 58.000 0.018 0.000 1.171 91 F CB 0.421 39.403 39.000 -0.031 0.000 1.405 91 F HN -0.078 nan 8.300 nan 0.000 0.482 92 E N 3.267 123.419 120.200 -0.081 0.000 2.415 92 E HA -0.059 4.291 4.350 0.001 0.000 0.262 92 E C 0.524 177.152 176.600 0.046 0.000 1.038 92 E CA 0.059 56.471 56.400 0.020 0.000 0.921 92 E CB 0.345 30.014 29.700 -0.052 0.000 0.950 92 E HN 0.691 nan 8.360 nan 0.000 0.438 93 Y N 2.338 122.714 120.300 0.128 0.000 2.151 93 Y HA -0.307 4.244 4.550 0.001 0.000 0.284 93 Y C 1.341 177.390 175.900 0.248 0.000 1.166 93 Y CA 2.273 60.561 58.100 0.313 0.000 1.163 93 Y CB 0.056 38.718 38.460 0.336 0.000 0.974 93 Y HN 0.567 nan 8.280 nan 0.000 0.511 94 E N 0.412 120.687 120.200 0.125 0.000 2.267 94 E HA -0.199 4.152 4.350 0.001 0.000 0.197 94 E C 1.935 178.509 176.600 -0.044 0.000 0.998 94 E CA 1.246 57.706 56.400 0.101 0.000 0.830 94 E CB -0.340 29.363 29.700 0.004 0.000 0.751 94 E HN 0.466 nan 8.360 nan 0.000 0.491 95 K N 0.047 120.290 120.400 -0.262 0.000 2.280 95 K HA -0.106 4.215 4.320 0.001 0.000 0.202 95 K C 1.141 177.543 176.600 -0.330 0.000 1.047 95 K CA 0.787 56.821 56.287 -0.422 0.000 0.942 95 K CB -0.169 31.773 32.500 -0.929 0.000 0.739 95 K HN 0.183 nan 8.250 nan 0.000 0.457 96 F N 0.346 120.156 119.950 -0.233 0.000 2.502 96 F HA -0.068 4.460 4.527 0.001 0.000 0.298 96 F C 2.283 177.891 175.800 -0.319 0.000 1.111 96 F CA 0.379 58.217 58.000 -0.270 0.000 1.445 96 F CB -0.038 38.674 39.000 -0.480 0.000 1.081 96 F HN 0.119 nan 8.300 nan 0.000 0.558 97 A N -0.096 122.606 122.820 -0.197 0.000 1.972 97 A HA -0.192 4.128 4.320 0.001 0.000 0.219 97 A C 1.867 179.353 177.584 -0.164 0.000 1.169 97 A CA 1.939 53.726 52.037 -0.416 0.000 0.635 97 A CB -0.541 18.237 19.000 -0.370 0.000 0.810 97 A HN 0.261 nan 8.150 nan 0.000 0.446 98 D N -0.514 119.841 120.400 -0.076 0.000 2.323 98 D HA 0.041 4.681 4.640 0.001 0.000 0.209 98 D C 1.571 177.870 176.300 -0.002 0.000 0.973 98 D CA 0.571 54.547 54.000 -0.039 0.000 0.874 98 D CB 0.071 40.844 40.800 -0.044 0.000 0.930 98 D HN 0.446 nan 8.370 nan 0.000 0.521 99 L N -0.072 121.179 121.223 0.046 0.000 2.529 99 L HA 0.065 4.406 4.340 0.001 0.000 0.223 99 L C 0.699 177.653 176.870 0.139 0.000 1.113 99 L CA -0.170 54.737 54.840 0.113 0.000 0.861 99 L CB 0.145 42.334 42.059 0.217 0.000 1.012 99 L HN -0.105 nan 8.230 nan 0.000 0.461 100 F N 1.923 121.792 119.950 -0.136 0.000 2.651 100 F HA 0.079 4.607 4.527 0.001 0.000 0.347 100 F C 1.465 177.159 175.800 -0.176 0.000 1.284 100 F CA -0.626 57.243 58.000 -0.219 0.000 1.175 100 F CB -0.245 38.505 39.000 -0.417 0.000 1.542 100 F HN -0.054 nan 8.300 nan 0.000 0.661 101 T N 1.293 115.788 114.554 -0.098 0.000 3.044 101 T HA 0.312 4.663 4.350 0.001 0.000 0.250 101 T C 1.408 175.997 174.700 -0.184 0.000 1.081 101 T CA 0.342 62.336 62.100 -0.176 0.000 1.040 101 T CB -0.292 68.551 68.868 -0.041 0.000 0.962 101 T HN 0.982 nan 8.240 nan 0.000 0.506 102 A N 1.522 124.264 122.820 -0.130 0.000 2.715 102 A HA -0.286 4.035 4.320 0.001 0.000 0.301 102 A C 1.339 178.992 177.584 0.115 0.000 1.515 102 A CA 1.578 53.647 52.037 0.053 0.000 0.816 102 A CB -2.512 16.409 19.000 -0.132 0.000 1.004 102 A HN 0.709 nan 8.150 nan 0.000 0.483 103 E N 0.225 120.476 120.200 0.084 0.000 2.169 103 E HA -0.196 4.154 4.350 0.001 0.000 0.202 103 E C 1.194 177.848 176.600 0.090 0.000 1.016 103 E CA 2.240 58.684 56.400 0.073 0.000 0.817 103 E CB -0.125 29.614 29.700 0.065 0.000 0.736 103 E HN 0.771 nan 8.360 nan 0.000 0.462 104 K N -0.806 119.668 120.400 0.123 0.000 2.861 104 K HA 0.113 4.434 4.320 0.001 0.000 0.210 104 K C -1.088 175.584 176.600 0.121 0.000 1.112 104 K CA -0.531 55.813 56.287 0.096 0.000 1.076 104 K CB 0.158 32.704 32.500 0.076 0.000 0.853 104 K HN 0.106 nan 8.250 nan 0.000 0.463 105 W N 2.196 123.435 121.300 -0.101 0.000 2.365 105 W HA 0.196 4.856 4.660 0.001 0.000 0.316 105 W C -0.541 175.806 176.519 -0.288 0.000 1.164 105 W CA -0.536 56.651 57.345 -0.264 0.000 1.204 105 W CB 0.833 30.168 29.460 -0.208 0.000 1.213 105 W HN 0.049 nan 8.180 nan 0.000 0.539 106 D N 8.456 128.320 120.400 -0.893 0.000 2.375 106 D HA 0.174 4.815 4.640 0.001 0.000 0.259 106 D C -1.438 174.133 176.300 -1.215 0.000 1.235 106 D CA -1.903 51.599 54.000 -0.830 0.000 0.924 106 D CB 1.804 42.342 40.800 -0.437 0.000 1.143 106 D HN 0.135 nan 8.370 nan 0.000 0.529 107 P HA -0.221 nan 4.420 nan 0.000 0.217 107 P C 1.063 178.072 177.300 -0.484 0.000 1.148 107 P CA 1.267 63.663 63.100 -1.174 0.000 0.834 107 P CB 0.505 31.597 31.700 -1.013 0.000 0.783 108 Q N -0.219 119.341 119.800 -0.401 0.000 2.172 108 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 108 Q C 2.256 178.144 176.000 -0.187 0.000 0.964 108 Q CA 0.901 56.572 55.803 -0.219 0.000 0.855 108 Q CB -0.329 28.301 28.738 -0.179 0.000 0.918 108 Q HN 0.437 nan 8.270 nan 0.000 0.444 109 E N 0.060 120.122 120.200 -0.230 0.000 2.077 109 E HA -0.190 4.161 4.350 0.001 0.000 0.193 109 E C 1.549 178.070 176.600 -0.132 0.000 0.989 109 E CA 0.876 57.182 56.400 -0.157 0.000 0.800 109 E CB -0.034 29.581 29.700 -0.143 0.000 0.746 109 E HN 0.396 nan 8.360 nan 0.000 0.452 110 W N 0.750 121.780 121.300 -0.449 0.000 2.333 110 W HA -0.114 4.547 4.660 0.001 0.000 0.316 110 W C 2.540 178.442 176.519 -1.029 0.000 1.215 110 W CA 1.248 58.144 57.345 -0.748 0.000 1.278 110 W CB -1.046 28.148 29.460 -0.443 0.000 1.154 110 W HN 0.081 nan 8.180 nan 0.000 0.486 111 A N -0.428 122.273 122.820 -0.200 0.000 1.969 111 A HA -0.224 4.097 4.320 0.001 0.000 0.218 111 A C 1.751 179.286 177.584 -0.082 0.000 1.169 111 A CA 2.141 54.155 52.037 -0.038 0.000 0.635 111 A CB -1.003 18.050 19.000 0.089 0.000 0.810 111 A HN 0.295 nan 8.150 nan 0.000 0.445 112 D N -0.351 119.977 120.400 -0.120 0.000 2.092 112 D HA -0.180 4.461 4.640 0.001 0.000 0.193 112 D C 1.788 178.037 176.300 -0.085 0.000 0.994 112 D CA 1.513 55.467 54.000 -0.076 0.000 0.828 112 D CB -0.233 40.519 40.800 -0.079 0.000 0.963 112 D HN 0.249 nan 8.370 nan 0.000 0.450 113 L N -0.290 120.813 121.223 -0.201 0.000 2.012 113 L HA -0.122 4.218 4.340 0.001 0.000 0.210 113 L C 2.140 179.000 176.870 -0.017 0.000 1.073 113 L CA 1.777 56.511 54.840 -0.177 0.000 0.748 113 L CB -0.944 40.922 42.059 -0.323 0.000 0.891 113 L HN 0.195 nan 8.230 nan 0.000 0.431 114 F N -0.363 119.588 119.950 0.003 0.000 2.186 114 F HA -0.169 4.358 4.527 0.001 0.000 0.299 114 F C 2.583 178.389 175.800 0.010 0.000 1.090 114 F CA 1.058 59.044 58.000 -0.023 0.000 1.307 114 F CB -0.436 38.530 39.000 -0.056 0.000 1.019 114 F HN 0.099 nan 8.300 nan 0.000 0.489 115 K N 1.345 121.867 120.400 0.203 0.000 2.057 115 K HA -0.193 4.127 4.320 0.001 0.000 0.207 115 K C 1.927 178.600 176.600 0.123 0.000 1.049 115 K CA 1.420 57.786 56.287 0.131 0.000 0.931 115 K CB -0.042 32.507 32.500 0.082 0.000 0.714 115 K HN 0.089 nan 8.250 nan 0.000 0.440 116 K N 0.244 120.704 120.400 0.099 0.000 2.032 116 K HA -0.106 4.214 4.320 0.001 0.000 0.209 116 K C 1.984 178.672 176.600 0.146 0.000 1.048 116 K CA 1.479 57.822 56.287 0.093 0.000 0.927 116 K CB -0.230 32.307 32.500 0.061 0.000 0.712 116 K HN 0.251 nan 8.250 nan 0.000 0.441 117 A N -0.146 122.789 122.820 0.191 0.000 2.131 117 A HA -0.020 4.300 4.320 0.001 0.000 0.220 117 A C 1.638 179.467 177.584 0.408 0.000 1.158 117 A CA 1.615 53.816 52.037 0.274 0.000 0.665 117 A CB -0.687 18.504 19.000 0.319 0.000 0.795 117 A HN 0.497 nan 8.150 nan 0.000 0.460 118 G N -2.809 106.210 108.800 0.365 0.000 2.176 118 G HA2 0.145 4.106 3.960 0.001 0.000 0.232 118 G HA3 0.145 4.106 3.960 0.001 0.000 0.232 118 G C 0.390 175.607 174.900 0.528 0.000 0.986 118 G CA 0.302 45.686 45.100 0.473 0.000 0.643 118 G HN 1.629 nan 8.290 nan 0.000 0.522 119 A N 0.072 122.998 122.820 0.177 0.000 2.462 119 A HA 0.625 4.946 4.320 0.001 0.000 0.243 119 A C 1.249 178.792 177.584 -0.068 0.000 1.076 119 A CA 0.733 52.561 52.037 -0.349 0.000 0.773 119 A CB 0.387 18.967 19.000 -0.700 0.000 1.010 119 A HN 0.188 nan 8.150 nan 0.000 0.493 120 K N 0.516 120.898 120.400 -0.030 0.000 2.358 120 K HA 0.168 4.489 4.320 0.001 0.000 0.200 120 K C -0.825 175.919 176.600 0.240 0.000 1.030 120 K CA 0.507 56.878 56.287 0.141 0.000 1.097 120 K CB 0.151 32.801 32.500 0.250 0.000 0.862 120 K HN 0.824 nan 8.250 nan 0.000 0.534 121 Y N -3.243 117.049 120.300 -0.013 0.000 2.656 121 Y HA 0.603 5.153 4.550 0.001 0.000 0.334 121 Y C -1.012 174.844 175.900 -0.073 0.000 1.179 121 Y CA -1.527 56.590 58.100 0.027 0.000 1.050 121 Y CB 1.095 39.667 38.460 0.186 0.000 1.308 121 Y HN -0.317 nan 8.280 nan 0.000 0.456 122 V N 2.995 122.962 119.914 0.089 0.000 2.841 122 V HA 0.589 4.709 4.120 0.001 0.000 0.310 122 V C -0.745 175.357 176.094 0.012 0.000 1.090 122 V CA -0.894 61.360 62.300 -0.077 0.000 0.930 122 V CB 2.094 33.924 31.823 0.011 0.000 1.014 122 V HN 0.767 nan 8.190 nan 0.000 0.425 123 I N 5.508 126.071 120.570 -0.011 0.000 2.563 123 I HA 0.341 4.511 4.170 0.001 0.000 0.281 123 I C -2.742 173.489 176.117 0.191 0.000 1.110 123 I CA -1.341 59.993 61.300 0.056 0.000 1.073 123 I CB 2.831 40.917 38.000 0.143 0.000 1.215 123 I HN 0.449 nan 8.210 nan 0.000 0.460 124 P HA 0.198 nan 4.420 nan 0.000 0.282 124 P C -0.309 177.071 177.300 0.134 0.000 1.259 124 P CA -0.244 62.974 63.100 0.196 0.000 0.826 124 P CB 1.198 33.116 31.700 0.363 0.000 1.064 125 T N -1.883 112.664 114.554 -0.012 0.000 2.779 125 T HA 0.165 4.516 4.350 0.001 0.000 0.296 125 T C 1.334 176.173 174.700 0.231 0.000 0.938 125 T CA -0.074 61.972 62.100 -0.089 0.000 1.119 125 T CB -0.576 68.042 68.868 -0.417 0.000 0.891 125 T HN 0.528 nan 8.240 nan 0.000 0.526 126 T N -0.550 114.229 114.554 0.376 0.000 3.081 126 T HA 0.190 4.541 4.350 0.001 0.000 0.255 126 T C 0.435 175.476 174.700 0.568 0.000 1.113 126 T CA -0.097 62.271 62.100 0.447 0.000 1.082 126 T CB -0.106 68.974 68.868 0.352 0.000 0.939 126 T HN 0.766 nan 8.240 nan 0.000 0.506 127 K N 0.398 121.061 120.400 0.439 0.000 2.579 127 K HA 0.139 4.459 4.320 0.001 0.000 0.283 127 K C -1.678 175.011 176.600 0.149 0.000 1.069 127 K CA -0.620 55.841 56.287 0.290 0.000 0.977 127 K CB 1.030 33.688 32.500 0.264 0.000 1.334 127 K HN 0.227 nan 8.250 nan 0.000 0.462 128 H N 1.877 120.982 119.070 0.058 0.000 2.645 128 H HA 0.252 4.808 4.556 0.001 0.000 0.308 128 H C 0.963 176.141 175.328 -0.250 0.000 1.495 128 H CA 0.089 56.054 56.048 -0.138 0.000 1.518 128 H CB 0.966 30.578 29.762 -0.248 0.000 1.752 128 H HN 0.684 nan 8.280 nan 0.000 0.797 129 H N 0.281 119.189 119.070 -0.271 0.000 2.431 129 H HA -0.169 4.388 4.556 0.001 0.000 0.297 129 H C 1.400 176.091 175.328 -1.062 0.000 1.115 129 H CA 1.611 57.046 56.048 -1.021 0.000 1.277 129 H CB -0.472 28.155 29.762 -1.891 0.000 1.372 129 H HN 0.580 nan 8.280 nan 0.000 0.516 130 D N -0.578 119.639 120.400 -0.305 0.000 2.371 130 D HA 0.008 4.648 4.640 0.001 0.000 0.221 130 D C 1.771 178.334 176.300 0.437 0.000 0.986 130 D CA 0.932 55.087 54.000 0.259 0.000 0.899 130 D CB -0.531 40.613 40.800 0.573 0.000 0.902 130 D HN 0.457 nan 8.370 nan 0.000 0.530 131 G N -0.300 108.681 108.800 0.300 0.000 2.184 131 G HA2 -0.316 3.644 3.960 0.001 0.000 0.264 131 G HA3 -0.316 3.644 3.960 0.001 0.000 0.264 131 G C 0.010 175.216 174.900 0.510 0.000 0.975 131 G CA 0.167 45.517 45.100 0.417 0.000 0.642 131 G HN 0.444 nan 8.290 nan 0.000 0.536 132 F N 2.090 122.217 119.950 0.295 0.000 2.495 132 F HA 0.528 5.055 4.527 0.001 0.000 0.365 132 F C 0.895 176.677 175.800 -0.031 0.000 1.090 132 F CA -0.698 57.209 58.000 -0.155 0.000 1.235 132 F CB 0.479 39.183 39.000 -0.494 0.000 1.119 132 F HN 0.192 nan 8.300 nan 0.000 0.562 133 C N 7.665 126.475 119.300 -0.816 0.000 2.319 133 C HA 0.322 4.782 4.460 0.001 0.000 0.335 133 C C 0.808 175.475 174.990 -0.538 0.000 1.274 133 C CA -0.866 57.850 59.018 -0.504 0.000 1.806 133 C CB 0.440 27.716 27.740 -0.775 0.000 2.329 133 C HN 0.744 nan 8.230 nan 0.000 0.524 134 L N 3.077 124.309 121.223 0.016 0.000 2.737 134 L HA 0.245 4.585 4.340 0.001 0.000 0.236 134 L C 0.030 177.058 176.870 0.264 0.000 1.219 134 L CA 0.478 55.365 54.840 0.077 0.000 1.021 134 L CB -1.008 41.161 42.059 0.183 0.000 1.291 134 L HN 0.903 nan 8.230 nan 0.000 0.470 135 W N -3.153 118.137 121.300 -0.018 0.000 3.062 135 W HA 0.683 5.344 4.660 0.001 0.000 0.336 135 W C 0.488 177.037 176.519 0.051 0.000 1.224 135 W CA -1.576 55.814 57.345 0.075 0.000 1.159 135 W CB 0.663 30.250 29.460 0.211 0.000 1.454 135 W HN -0.153 nan 8.180 nan 0.000 0.569 136 G N 2.145 111.027 108.800 0.137 0.000 3.008 136 G HA2 0.303 4.263 3.960 0.001 0.000 0.272 136 G HA3 0.303 4.263 3.960 0.001 0.000 0.272 136 G C -0.003 174.796 174.900 -0.169 0.000 0.764 136 G CA 0.058 45.122 45.100 -0.061 0.000 2.029 136 G HN 0.629 nan 8.290 nan 0.000 0.587 137 T N 0.113 114.269 114.554 -0.664 0.000 2.900 137 T HA 0.135 4.486 4.350 0.001 0.000 0.307 137 T C 1.538 176.118 174.700 -0.199 0.000 1.065 137 T CA -0.104 61.736 62.100 -0.433 0.000 1.105 137 T CB 0.485 68.911 68.868 -0.736 0.000 0.979 137 T HN 0.561 nan 8.240 nan 0.000 0.544 138 K N 2.872 123.127 120.400 -0.241 0.000 2.437 138 K HA 0.083 4.404 4.320 0.001 0.000 0.205 138 K C -0.129 176.174 176.600 -0.495 0.000 1.026 138 K CA 0.170 56.215 56.287 -0.402 0.000 1.153 138 K CB 0.098 32.315 32.500 -0.472 0.000 0.863 138 K HN 0.747 nan 8.250 nan 0.000 0.502 139 Y N 0.004 120.367 120.300 0.104 0.000 2.500 139 Y HA 0.215 4.766 4.550 0.001 0.000 0.246 139 Y C 0.446 176.505 175.900 0.265 0.000 1.146 139 Y CA -0.526 57.703 58.100 0.216 0.000 1.230 139 Y CB 1.648 40.298 38.460 0.315 0.000 1.214 139 Y HN 0.044 nan 8.280 nan 0.000 0.526 140 T N -0.825 113.883 114.554 0.257 0.000 2.932 140 T HA 0.200 4.550 4.350 0.001 0.000 0.318 140 T C -0.565 174.184 174.700 0.082 0.000 1.265 140 T CA -0.514 61.705 62.100 0.199 0.000 1.036 140 T CB 1.305 70.356 68.868 0.304 0.000 1.209 140 T HN -0.069 nan 8.240 nan 0.000 0.484 141 D N 1.554 122.013 120.400 0.098 0.000 2.350 141 D HA 0.140 4.781 4.640 0.001 0.000 0.213 141 D C 0.219 176.619 176.300 0.167 0.000 1.031 141 D CA 0.207 54.257 54.000 0.083 0.000 0.861 141 D CB 0.073 40.918 40.800 0.074 0.000 0.926 141 D HN 0.371 nan 8.370 nan 0.000 0.520 142 F N 3.068 123.028 119.950 0.016 0.000 2.661 142 F HA 0.182 4.709 4.527 0.001 0.000 0.356 142 F C 0.058 175.729 175.800 -0.214 0.000 1.244 142 F CA -0.872 57.189 58.000 0.102 0.000 1.290 142 F CB -1.011 38.097 39.000 0.180 0.000 1.677 142 F HN -0.140 nan 8.300 nan 0.000 0.649 143 N N -1.416 117.066 118.700 -0.363 0.000 2.647 143 N HA 0.224 4.964 4.740 0.001 0.000 0.266 143 N C 0.369 175.570 175.510 -0.514 0.000 1.373 143 N CA -0.235 52.300 53.050 -0.859 0.000 0.807 143 N CB 0.809 38.964 38.487 -0.554 0.000 1.513 143 N HN -0.081 nan 8.380 nan 0.000 0.505 144 S N -0.868 114.533 115.700 -0.499 0.000 2.469 144 S HA -0.107 4.363 4.470 0.001 0.000 0.238 144 S C 1.312 175.865 174.600 -0.079 0.000 0.998 144 S CA 0.966 59.107 58.200 -0.099 0.000 0.957 144 S CB -0.569 62.548 63.200 -0.139 0.000 0.764 144 S HN 0.367 nan 8.310 nan 0.000 0.514 145 V N 1.674 121.534 119.914 -0.090 0.000 2.407 145 V HA -0.007 4.114 4.120 0.001 0.000 0.245 145 V C 2.694 178.773 176.094 -0.025 0.000 1.041 145 V CA 1.467 63.741 62.300 -0.043 0.000 1.040 145 V CB -0.390 31.415 31.823 -0.031 0.000 0.671 145 V HN 0.442 nan 8.190 nan 0.000 0.455 146 K N -0.396 119.991 120.400 -0.022 0.000 2.116 146 K HA 0.060 4.380 4.320 0.001 0.000 0.203 146 K C 1.356 177.980 176.600 0.041 0.000 1.052 146 K CA 0.629 56.923 56.287 0.012 0.000 0.952 146 K CB 0.072 32.586 32.500 0.023 0.000 0.729 146 K HN 0.320 nan 8.250 nan 0.000 0.446 147 R N -0.628 119.919 120.500 0.079 0.000 2.936 147 R HA 0.278 4.619 4.340 0.001 0.000 0.218 147 R C 1.542 177.852 176.300 0.017 0.000 1.528 147 R CA 0.064 56.215 56.100 0.085 0.000 1.005 147 R CB -1.120 29.286 30.300 0.177 0.000 2.099 147 R HN 0.161 nan 8.270 nan 0.000 0.527 148 G N 1.849 110.629 108.800 -0.033 0.000 3.376 148 G HA2 -0.332 3.629 3.960 0.001 0.000 0.286 148 G HA3 -0.332 3.629 3.960 0.001 0.000 0.286 148 G C -1.305 173.477 174.900 -0.197 0.000 0.909 148 G CA 1.457 46.475 45.100 -0.137 0.000 0.769 148 G HN 0.432 nan 8.290 nan 0.000 1.194 149 P HA 0.050 nan 4.420 nan 0.000 0.221 149 P C 0.525 177.733 177.300 -0.154 0.000 1.145 149 P CA 1.375 64.280 63.100 -0.324 0.000 0.795 149 P CB 0.055 31.448 31.700 -0.512 0.000 0.775 150 K N -0.645 119.691 120.400 -0.106 0.000 3.257 150 K HA -0.197 4.124 4.320 0.001 0.000 0.270 150 K C 0.059 176.640 176.600 -0.031 0.000 0.984 150 K CA 0.877 57.135 56.287 -0.048 0.000 0.739 150 K CB -1.660 30.821 32.500 -0.031 0.000 1.351 150 K HN 0.421 nan 8.250 nan 0.000 0.463 151 R N 0.336 120.811 120.500 -0.041 0.000 2.634 151 R HA 0.112 4.452 4.340 0.001 0.000 0.263 151 R C -1.580 174.734 176.300 0.024 0.000 1.060 151 R CA -0.690 55.415 56.100 0.009 0.000 0.898 151 R CB 1.089 31.406 30.300 0.027 0.000 1.253 151 R HN 0.027 nan 8.270 nan 0.000 0.461 152 D N 4.803 125.262 120.400 0.097 0.000 2.551 152 D HA 0.104 4.745 4.640 0.001 0.000 0.223 152 D C 1.229 177.632 176.300 0.171 0.000 1.144 152 D CA -0.078 54.014 54.000 0.154 0.000 1.025 152 D CB 0.267 41.194 40.800 0.211 0.000 1.085 152 D HN 0.539 nan 8.370 nan 0.000 0.506 153 L N 1.909 123.185 121.223 0.088 0.000 2.021 153 L HA -0.248 4.093 4.340 0.001 0.000 0.215 153 L C 2.277 179.295 176.870 0.247 0.000 1.074 153 L CA 0.875 55.750 54.840 0.058 0.000 0.760 153 L CB -0.531 41.443 42.059 -0.141 0.000 0.889 153 L HN 0.286 nan 8.230 nan 0.000 0.433 154 V N 0.287 120.327 119.914 0.210 0.000 2.261 154 V HA -0.214 3.906 4.120 0.001 0.000 0.246 154 V C 2.669 178.689 176.094 -0.123 0.000 1.047 154 V CA 2.146 64.523 62.300 0.128 0.000 1.015 154 V CB -1.267 30.578 31.823 0.036 0.000 0.642 154 V HN 0.570 nan 8.190 nan 0.000 0.446 155 G N -0.550 108.145 108.800 -0.174 0.000 2.440 155 G HA2 -0.273 3.687 3.960 0.001 0.000 0.218 155 G HA3 -0.273 3.687 3.960 0.001 0.000 0.218 155 G C 1.233 176.129 174.900 -0.007 0.000 1.154 155 G CA 1.136 46.170 45.100 -0.109 0.000 0.767 155 G HN 0.506 nan 8.290 nan 0.000 0.552 156 D N -0.160 120.316 120.400 0.126 0.000 2.144 156 D HA -0.073 4.567 4.640 0.001 0.000 0.199 156 D C 2.304 178.662 176.300 0.096 0.000 0.984 156 D CA 0.405 54.487 54.000 0.136 0.000 0.834 156 D CB -0.239 40.718 40.800 0.262 0.000 0.955 156 D HN 0.245 nan 8.370 nan 0.000 0.465 157 L N 0.401 121.770 121.223 0.243 0.000 2.217 157 L HA 0.091 4.432 4.340 0.001 0.000 0.211 157 L C 1.929 178.762 176.870 -0.061 0.000 1.107 157 L CA 1.224 56.221 54.840 0.263 0.000 0.783 157 L CB -0.656 41.774 42.059 0.618 0.000 0.919 157 L HN -0.044 nan 8.230 nan 0.000 0.442 158 A N -0.567 121.949 122.820 -0.507 0.000 1.930 158 A HA -0.212 4.109 4.320 0.001 0.000 0.217 158 A C 2.432 179.770 177.584 -0.411 0.000 1.175 158 A CA 1.663 53.040 52.037 -1.101 0.000 0.627 158 A CB -0.516 17.601 19.000 -1.472 0.000 0.815 158 A HN 0.476 nan 8.150 nan 0.000 0.443 159 K N -0.195 120.076 120.400 -0.215 0.000 2.057 159 K HA -0.099 4.222 4.320 0.001 0.000 0.207 159 K C 2.167 178.725 176.600 -0.070 0.000 1.049 159 K CA 1.239 57.467 56.287 -0.099 0.000 0.931 159 K CB -0.329 32.136 32.500 -0.058 0.000 0.714 159 K HN 0.360 nan 8.250 nan 0.000 0.440 160 A N 0.649 123.431 122.820 -0.063 0.000 1.845 160 A HA -0.122 4.199 4.320 0.001 0.000 0.215 160 A C 2.259 179.858 177.584 0.025 0.000 1.195 160 A CA 1.805 53.823 52.037 -0.032 0.000 0.616 160 A CB -0.855 18.119 19.000 -0.043 0.000 0.832 160 A HN 0.161 nan 8.150 nan 0.000 0.443 161 V N 0.055 120.019 119.914 0.084 0.000 2.287 161 V HA -0.314 3.806 4.120 0.001 0.000 0.248 161 V C 2.665 178.819 176.094 0.100 0.000 1.053 161 V CA 2.454 64.854 62.300 0.168 0.000 1.027 161 V CB -0.918 31.095 31.823 0.318 0.000 0.646 161 V HN 0.521 nan 8.190 nan 0.000 0.447 162 R N -0.249 120.276 120.500 0.042 0.000 2.096 162 R HA -0.158 4.183 4.340 0.001 0.000 0.235 162 R C 2.318 178.624 176.300 0.011 0.000 1.127 162 R CA 1.589 57.705 56.100 0.025 0.000 0.968 162 R CB -0.292 30.006 30.300 -0.004 0.000 0.861 162 R HN 0.615 nan 8.270 nan 0.000 0.440 163 E N 0.126 120.325 120.200 -0.001 0.000 2.204 163 E HA -0.128 4.222 4.350 0.001 0.000 0.195 163 E C 1.515 178.116 176.600 0.002 0.000 0.990 163 E CA 1.008 57.404 56.400 -0.007 0.000 0.821 163 E CB 0.036 29.724 29.700 -0.021 0.000 0.750 163 E HN 0.349 nan 8.360 nan 0.000 0.477 164 A N 0.099 122.931 122.820 0.019 0.000 2.238 164 A HA 0.236 4.557 4.320 0.001 0.000 0.208 164 A C 1.690 179.293 177.584 0.031 0.000 1.177 164 A CA 0.756 52.809 52.037 0.027 0.000 0.804 164 A CB -0.384 18.648 19.000 0.053 0.000 0.823 164 A HN 0.324 nan 8.150 nan 0.000 0.482 165 G N -1.427 107.389 108.800 0.025 0.000 2.162 165 G HA2 -0.205 3.756 3.960 0.001 0.000 0.260 165 G HA3 -0.205 3.756 3.960 0.001 0.000 0.260 165 G C 0.127 175.043 174.900 0.026 0.000 0.976 165 G CA 0.463 45.573 45.100 0.017 0.000 0.655 165 G HN 0.379 nan 8.290 nan 0.000 0.533 166 L N -0.207 121.051 121.223 0.060 0.000 2.416 166 L HA 0.582 4.922 4.340 0.001 0.000 0.262 166 L C 1.115 178.033 176.870 0.080 0.000 1.093 166 L CA -0.906 53.983 54.840 0.082 0.000 0.801 166 L CB 0.654 42.793 42.059 0.132 0.000 1.191 166 L HN 0.053 nan 8.230 nan 0.000 0.459 167 R N 0.632 121.173 120.500 0.068 0.000 2.560 167 R HA 0.372 4.712 4.340 0.001 0.000 0.270 167 R C -0.999 175.450 176.300 0.249 0.000 1.074 167 R CA -0.350 55.751 56.100 0.001 0.000 1.140 167 R CB 0.905 31.009 30.300 -0.328 0.000 1.073 167 R HN 0.313 nan 8.270 nan 0.000 0.527 168 F N -0.233 119.774 119.950 0.095 0.000 2.518 168 F HA 0.559 5.087 4.527 0.001 0.000 0.323 168 F C -0.133 175.825 175.800 0.264 0.000 1.129 168 F CA -0.420 57.691 58.000 0.184 0.000 0.920 168 F CB 1.793 40.882 39.000 0.147 0.000 1.160 168 F HN 0.566 nan 8.300 nan 0.000 0.440 169 G N 3.231 111.803 108.800 -0.381 0.000 3.013 169 G HA2 0.687 4.648 3.960 0.001 0.000 0.278 169 G HA3 0.687 4.648 3.960 0.001 0.000 0.278 169 G C -1.704 172.963 174.900 -0.388 0.000 1.353 169 G CA -0.615 44.413 45.100 -0.120 0.000 1.043 169 G HN 1.037 nan 8.290 nan 0.000 0.523 170 V N -2.509 117.402 119.914 -0.006 0.000 2.925 170 V HA 0.776 4.896 4.120 0.001 0.000 0.311 170 V C -1.310 174.968 176.094 0.307 0.000 1.104 170 V CA -1.273 61.062 62.300 0.059 0.000 0.954 170 V CB 1.378 33.240 31.823 0.065 0.000 1.022 170 V HN 0.907 nan 8.190 nan 0.000 0.427 171 Y N 3.662 124.082 120.300 0.199 0.000 2.409 171 Y HA 0.805 5.356 4.550 0.001 0.000 0.339 171 Y C -1.525 174.532 175.900 0.262 0.000 1.033 171 Y CA -0.984 57.280 58.100 0.273 0.000 1.094 171 Y CB 2.077 40.586 38.460 0.082 0.000 1.210 171 Y HN 0.887 nan 8.280 nan 0.000 0.456 172 Y N 3.881 123.903 120.300 -0.462 0.000 2.441 172 Y HA 0.314 4.864 4.550 0.001 0.000 0.334 172 Y C -1.022 174.605 175.900 -0.455 0.000 1.061 172 Y CA -0.956 57.023 58.100 -0.201 0.000 1.032 172 Y CB 1.975 40.443 38.460 0.012 0.000 1.266 172 Y HN 0.605 nan 8.280 nan 0.000 0.441 173 S N 4.017 119.332 115.700 -0.640 0.000 3.072 173 S HA 0.273 4.744 4.470 0.001 0.000 0.306 173 S C 1.025 175.393 174.600 -0.387 0.000 1.207 173 S CA 0.402 58.356 58.200 -0.410 0.000 1.008 173 S CB -0.419 62.664 63.200 -0.194 0.000 1.390 173 S HN 1.044 nan 8.310 nan 0.000 0.523 174 G N 3.609 112.335 108.800 -0.123 0.000 2.396 174 G HA2 0.010 3.971 3.960 0.001 0.000 0.214 174 G HA3 0.010 3.971 3.960 0.001 0.000 0.214 174 G C 1.323 176.167 174.900 -0.093 0.000 1.166 174 G CA 0.494 45.580 45.100 -0.023 0.000 0.793 174 G HN 0.759 nan 8.290 nan 0.000 0.533 175 G N 0.013 108.763 108.800 -0.083 0.000 2.408 175 G HA2 0.172 4.132 3.960 0.001 0.000 0.217 175 G HA3 0.172 4.132 3.960 0.001 0.000 0.217 175 G C 0.581 175.358 174.900 -0.206 0.000 1.150 175 G CA 0.286 45.322 45.100 -0.106 0.000 0.776 175 G HN 0.381 nan 8.290 nan 0.000 0.542 176 L N -0.322 120.736 121.223 -0.276 0.000 2.370 176 L HA 0.566 4.906 4.340 0.001 0.000 0.266 176 L C -1.493 175.113 176.870 -0.440 0.000 1.002 176 L CA -0.867 53.722 54.840 -0.418 0.000 0.818 176 L CB 2.730 44.413 42.059 -0.625 0.000 1.325 176 L HN -0.136 nan 8.230 nan 0.000 0.418 177 D N 1.095 121.224 120.400 -0.451 0.000 2.354 177 D HA 0.119 4.759 4.640 0.001 0.000 0.230 177 D C -0.015 176.293 176.300 0.015 0.000 1.361 177 D CA -0.355 53.502 54.000 -0.237 0.000 0.992 177 D CB 0.981 41.735 40.800 -0.078 0.000 1.409 177 D HN 0.390 nan 8.370 nan 0.000 0.573 178 W N 2.565 123.887 121.300 0.038 0.000 2.632 178 W HA 0.022 4.682 4.660 0.001 0.000 0.248 178 W C 1.675 178.231 176.519 0.062 0.000 1.259 178 W CA -0.048 57.301 57.345 0.006 0.000 1.288 178 W CB -0.378 29.053 29.460 -0.050 0.000 1.136 178 W HN 0.345 nan 8.180 nan 0.000 0.640 179 R N -0.575 120.124 120.500 0.331 0.000 2.276 179 R HA -0.025 4.316 4.340 0.001 0.000 0.203 179 R C 0.660 176.968 176.300 0.014 0.000 1.017 179 R CA 0.656 56.837 56.100 0.136 0.000 1.010 179 R CB -0.656 29.702 30.300 0.095 0.000 0.900 179 R HN 0.179 nan 8.270 nan 0.000 0.469 180 F N -0.127 119.814 119.950 -0.015 0.000 2.654 180 F HA 0.147 4.674 4.527 0.001 0.000 0.303 180 F C 0.873 176.643 175.800 -0.049 0.000 1.099 180 F CA -0.248 57.716 58.000 -0.060 0.000 1.270 180 F CB 0.480 39.395 39.000 -0.141 0.000 1.024 180 F HN -0.185 nan 8.300 nan 0.000 0.548 181 T N -4.637 110.008 114.554 0.153 0.000 2.778 181 T HA 0.540 4.890 4.350 0.001 0.000 0.293 181 T C 0.575 175.293 174.700 0.029 0.000 1.144 181 T CA 0.163 62.310 62.100 0.077 0.000 1.010 181 T CB 2.126 71.035 68.868 0.068 0.000 1.325 181 T HN -0.039 nan 8.240 nan 0.000 0.515 182 T N -2.885 111.664 114.554 -0.008 0.000 3.176 182 T HA 0.318 4.668 4.350 0.001 0.000 0.259 182 T C 0.419 175.073 174.700 -0.077 0.000 0.978 182 T CA 0.012 62.091 62.100 -0.036 0.000 1.050 182 T CB -0.407 68.449 68.868 -0.021 0.000 1.136 182 T HN 0.617 nan 8.240 nan 0.000 0.465 183 E N 4.705 124.867 120.200 -0.064 0.000 2.384 183 E HA 0.339 4.690 4.350 0.001 0.000 0.266 183 E C -2.254 174.244 176.600 -0.171 0.000 1.012 183 E CA -1.883 54.466 56.400 -0.086 0.000 0.901 183 E CB 0.671 30.352 29.700 -0.032 0.000 0.967 183 E HN 0.357 nan 8.360 nan 0.000 0.435 184 P HA 0.199 nan 4.420 nan 0.000 0.278 184 P C -0.499 176.613 177.300 -0.312 0.000 1.266 184 P CA -0.490 62.413 63.100 -0.329 0.000 0.807 184 P CB 0.806 32.320 31.700 -0.310 0.000 1.094 185 I N 2.313 122.659 120.570 -0.373 0.000 2.396 185 I HA 0.192 4.363 4.170 0.001 0.000 0.289 185 I C 1.749 177.495 176.117 -0.619 0.000 1.056 185 I CA 0.107 61.119 61.300 -0.480 0.000 1.365 185 I CB 0.429 38.109 38.000 -0.534 0.000 1.407 185 I HN 0.453 nan 8.210 nan 0.000 0.509 186 R N 4.247 124.397 120.500 -0.584 0.000 2.250 186 R HA 0.196 4.537 4.340 0.001 0.000 0.194 186 R C -0.578 175.092 176.300 -1.051 0.000 0.927 186 R CA 0.419 56.010 56.100 -0.849 0.000 1.052 186 R CB 0.645 30.583 30.300 -0.602 0.000 1.055 186 R HN 0.482 nan 8.270 nan 0.000 0.537 187 Y N -1.477 118.691 120.300 -0.220 0.000 2.581 187 Y HA 0.280 4.831 4.550 0.001 0.000 0.345 187 Y C -1.967 173.867 175.900 -0.111 0.000 1.036 187 Y CA -2.662 55.446 58.100 0.013 0.000 1.042 187 Y CB 1.582 40.101 38.460 0.098 0.000 1.289 187 Y HN -0.234 nan 8.280 nan 0.000 0.471 188 P HA -0.195 nan 4.420 nan 0.000 0.215 188 P C 0.740 178.071 177.300 0.052 0.000 1.163 188 P CA 2.070 65.278 63.100 0.180 0.000 0.894 188 P CB 0.342 32.162 31.700 0.200 0.000 0.791 189 E N -0.613 119.642 120.200 0.093 0.000 2.233 189 E HA -0.210 4.140 4.350 0.001 0.000 0.199 189 E C 1.601 178.184 176.600 -0.029 0.000 1.004 189 E CA 1.361 57.798 56.400 0.063 0.000 0.819 189 E CB -0.936 28.826 29.700 0.103 0.000 0.738 189 E HN 0.355 nan 8.360 nan 0.000 0.478 190 D N 0.103 120.426 120.400 -0.128 0.000 2.178 190 D HA -0.138 4.502 4.640 0.001 0.000 0.201 190 D C 1.784 177.760 176.300 -0.540 0.000 0.980 190 D CA 0.659 54.378 54.000 -0.469 0.000 0.842 190 D CB -0.224 40.345 40.800 -0.384 0.000 0.948 190 D HN 0.228 nan 8.370 nan 0.000 0.472 191 L N 1.111 122.164 121.223 -0.283 0.000 2.263 191 L HA -0.181 4.159 4.340 0.001 0.000 0.216 191 L C 2.339 179.122 176.870 -0.146 0.000 1.111 191 L CA 1.189 55.920 54.840 -0.181 0.000 0.773 191 L CB -0.507 41.510 42.059 -0.071 0.000 0.906 191 L HN 0.086 nan 8.230 nan 0.000 0.439 192 S N -0.639 114.985 115.700 -0.127 0.000 2.489 192 S HA -0.150 4.320 4.470 0.001 0.000 0.228 192 S C 1.422 176.047 174.600 0.040 0.000 0.995 192 S CA 0.835 59.027 58.200 -0.014 0.000 0.934 192 S CB -0.193 63.048 63.200 0.069 0.000 0.771 192 S HN 0.682 nan 8.310 nan 0.000 0.522 193 Y N -1.166 119.123 120.300 -0.018 0.000 2.515 193 Y HA 0.560 5.111 4.550 0.001 0.000 0.267 193 Y C 0.280 176.160 175.900 -0.032 0.000 1.058 193 Y CA -1.210 56.876 58.100 -0.023 0.000 1.231 193 Y CB 0.230 38.681 38.460 -0.015 0.000 1.350 193 Y HN 0.125 nan 8.280 nan 0.000 0.554 194 I N 4.647 124.995 120.570 -0.372 0.000 2.243 194 I HA 0.366 4.537 4.170 0.001 0.000 0.289 194 I C -0.482 175.550 176.117 -0.141 0.000 1.140 194 I CA -0.119 61.048 61.300 -0.222 0.000 1.289 194 I CB -0.187 37.614 38.000 -0.332 0.000 1.498 194 I HN 0.157 nan 8.210 nan 0.000 0.561 195 R N 3.888 124.327 120.500 -0.101 0.000 2.799 195 R HA 0.391 4.732 4.340 0.001 0.000 0.270 195 R C -2.137 174.056 176.300 -0.179 0.000 1.010 195 R CA -1.704 54.302 56.100 -0.157 0.000 0.916 195 R CB 0.760 30.969 30.300 -0.152 0.000 1.228 195 R HN -0.083 nan 8.270 nan 0.000 0.469 196 P HA -0.175 nan 4.420 nan 0.000 0.216 196 P C -0.079 177.135 177.300 -0.143 0.000 1.154 196 P CA 1.392 64.271 63.100 -0.368 0.000 0.865 196 P CB 0.235 31.256 31.700 -1.131 0.000 0.789 197 N N -3.576 115.040 118.700 -0.139 0.000 2.922 197 N HA -0.145 4.596 4.740 0.001 0.000 0.231 197 N C 0.167 175.627 175.510 -0.084 0.000 0.889 197 N CA 1.954 54.956 53.050 -0.080 0.000 1.027 197 N CB -2.304 36.159 38.487 -0.039 0.000 1.059 197 N HN 0.371 nan 8.380 nan 0.000 0.613 198 T N -3.157 111.384 114.554 -0.021 0.000 2.874 198 T HA 0.448 4.798 4.350 0.001 0.000 0.281 198 T C 1.251 175.941 174.700 -0.016 0.000 0.994 198 T CA -0.476 61.628 62.100 0.007 0.000 1.015 198 T CB 0.856 69.806 68.868 0.137 0.000 1.028 198 T HN 0.093 nan 8.240 nan 0.000 0.523 199 Y N -0.066 120.277 120.300 0.072 0.000 2.242 199 Y HA -0.022 4.528 4.550 0.001 0.000 0.291 199 Y C 2.828 178.762 175.900 0.056 0.000 1.137 199 Y CA 1.603 59.731 58.100 0.048 0.000 1.181 199 Y CB -0.188 38.292 38.460 0.035 0.000 0.989 199 Y HN 0.878 nan 8.280 nan 0.000 0.527 200 E N -0.318 120.028 120.200 0.243 0.000 2.070 200 E HA -0.327 4.023 4.350 0.001 0.000 0.197 200 E C 1.999 178.711 176.600 0.188 0.000 1.004 200 E CA 1.645 58.171 56.400 0.210 0.000 0.805 200 E CB -0.447 29.392 29.700 0.233 0.000 0.744 200 E HN 0.576 nan 8.360 nan 0.000 0.451 201 Y N 0.675 120.998 120.300 0.038 0.000 2.181 201 Y HA -0.142 4.409 4.550 0.001 0.000 0.288 201 Y C 2.068 177.917 175.900 -0.085 0.000 1.146 201 Y CA 1.546 59.550 58.100 -0.161 0.000 1.164 201 Y CB -0.630 37.533 38.460 -0.494 0.000 0.982 201 Y HN 0.154 nan 8.280 nan 0.000 0.515 202 A N 0.197 122.892 122.820 -0.209 0.000 1.883 202 A HA -0.221 4.100 4.320 0.001 0.000 0.217 202 A C 2.002 179.520 177.584 -0.110 0.000 1.186 202 A CA 2.117 54.016 52.037 -0.231 0.000 0.624 202 A CB -0.930 18.040 19.000 -0.050 0.000 0.822 202 A HN 0.517 nan 8.150 nan 0.000 0.444 203 D N -1.697 118.703 120.400 -0.000 0.000 2.097 203 D HA -0.167 4.473 4.640 0.001 0.000 0.195 203 D C 1.706 178.039 176.300 0.055 0.000 0.989 203 D CA 1.634 55.670 54.000 0.060 0.000 0.827 203 D CB -0.553 40.292 40.800 0.075 0.000 0.966 203 D HN 0.553 nan 8.370 nan 0.000 0.456 204 Y N 1.752 121.966 120.300 -0.144 0.000 2.081 204 Y HA -0.291 4.259 4.550 0.001 0.000 0.280 204 Y C 2.272 178.058 175.900 -0.189 0.000 1.163 204 Y CA 1.960 59.962 58.100 -0.162 0.000 1.135 204 Y CB -0.716 37.690 38.460 -0.089 0.000 0.970 204 Y HN -0.036 nan 8.280 nan 0.000 0.498 205 A N -0.654 121.920 122.820 -0.410 0.000 1.908 205 A HA -0.265 4.056 4.320 0.001 0.000 0.218 205 A C 2.208 179.770 177.584 -0.036 0.000 1.181 205 A CA 1.849 53.652 52.037 -0.390 0.000 0.627 205 A CB -1.646 16.833 19.000 -0.867 0.000 0.818 205 A HN 0.720 nan 8.150 nan 0.000 0.445 206 Y N 1.011 121.312 120.300 0.002 0.000 2.089 206 Y HA -0.211 4.339 4.550 0.001 0.000 0.282 206 Y C 2.270 178.113 175.900 -0.096 0.000 1.139 206 Y CA 2.343 60.507 58.100 0.105 0.000 1.123 206 Y CB -0.291 38.211 38.460 0.070 0.000 0.980 206 Y HN 0.287 nan 8.280 nan 0.000 0.493 207 K N -0.154 120.125 120.400 -0.202 0.000 2.152 207 K HA -0.230 4.091 4.320 0.001 0.000 0.206 207 K C 2.073 178.452 176.600 -0.368 0.000 1.048 207 K CA 1.766 57.788 56.287 -0.442 0.000 0.933 207 K CB -0.278 31.748 32.500 -0.791 0.000 0.721 207 K HN 0.549 nan 8.250 nan 0.000 0.447 208 Q N 0.472 120.072 119.800 -0.333 0.000 2.083 208 Q HA -0.087 4.253 4.340 0.001 0.000 0.198 208 Q C 2.292 178.147 176.000 -0.242 0.000 0.969 208 Q CA 1.144 56.871 55.803 -0.126 0.000 0.838 208 Q CB 0.014 28.649 28.738 -0.172 0.000 0.900 208 Q HN 0.128 nan 8.270 nan 0.000 0.436 209 V N 0.849 120.537 119.914 -0.376 0.000 2.427 209 V HA -0.240 3.880 4.120 0.001 0.000 0.248 209 V C 2.298 178.244 176.094 -0.247 0.000 1.051 209 V CA 1.176 63.282 62.300 -0.323 0.000 1.048 209 V CB -0.391 31.328 31.823 -0.174 0.000 0.666 209 V HN 0.399 nan 8.190 nan 0.000 0.456 210 M N -0.290 119.107 119.600 -0.338 0.000 2.108 210 M HA -0.214 4.266 4.480 0.001 0.000 0.261 210 M C 2.207 178.441 176.300 -0.110 0.000 1.066 210 M CA 1.795 56.904 55.300 -0.320 0.000 1.107 210 M CB -1.071 31.175 32.600 -0.589 0.000 1.356 210 M HN 0.506 nan 8.290 nan 0.000 0.406 211 E N 0.177 120.347 120.200 -0.050 0.000 2.106 211 E HA -0.162 4.188 4.350 0.001 0.000 0.192 211 E C 2.117 178.692 176.600 -0.043 0.000 0.984 211 E CA 0.833 57.278 56.400 0.075 0.000 0.806 211 E CB 0.062 29.963 29.700 0.335 0.000 0.750 211 E HN 0.457 nan 8.360 nan 0.000 0.458 212 L N 0.029 121.168 121.223 -0.140 0.000 2.072 212 L HA -0.145 4.195 4.340 0.001 0.000 0.205 212 L C 2.504 179.371 176.870 -0.005 0.000 1.079 212 L CA 0.505 55.258 54.840 -0.145 0.000 0.752 212 L CB -0.255 41.662 42.059 -0.237 0.000 0.906 212 L HN 0.073 nan 8.230 nan 0.000 0.436 213 V N 0.002 119.925 119.914 0.016 0.000 2.255 213 V HA -0.332 3.789 4.120 0.001 0.000 0.247 213 V C 2.147 178.304 176.094 0.105 0.000 1.051 213 V CA 2.085 64.466 62.300 0.135 0.000 1.018 213 V CB -0.478 31.470 31.823 0.208 0.000 0.641 213 V HN 0.453 nan 8.190 nan 0.000 0.445 214 D N -0.088 120.356 120.400 0.073 0.000 2.117 214 D HA -0.116 4.524 4.640 0.001 0.000 0.197 214 D C 2.050 178.291 176.300 -0.098 0.000 0.987 214 D CA 1.296 55.322 54.000 0.042 0.000 0.829 214 D CB -0.230 40.615 40.800 0.076 0.000 0.961 214 D HN 0.365 nan 8.370 nan 0.000 0.460 215 L N -1.256 119.795 121.223 -0.288 0.000 2.240 215 L HA -0.072 4.268 4.340 0.001 0.000 0.211 215 L C 1.278 177.637 176.870 -0.851 0.000 1.106 215 L CA 0.883 55.333 54.840 -0.650 0.000 0.793 215 L CB -0.097 41.326 42.059 -1.061 0.000 0.927 215 L HN 0.100 nan 8.230 nan 0.000 0.446 216 Y N -3.081 117.262 120.300 0.073 0.000 2.540 216 Y HA 0.298 4.849 4.550 0.001 0.000 0.257 216 Y C 0.334 176.321 175.900 0.146 0.000 1.090 216 Y CA -1.069 57.092 58.100 0.102 0.000 1.242 216 Y CB 0.573 39.134 38.460 0.167 0.000 1.325 216 Y HN -0.238 nan 8.280 nan 0.000 0.544 217 L N 2.366 123.729 121.223 0.234 0.000 3.895 217 L HA -0.191 4.150 4.340 0.001 0.000 0.511 217 L C -2.750 174.342 176.870 0.371 0.000 1.222 217 L CA -0.528 54.466 54.840 0.257 0.000 0.739 217 L CB -1.200 40.900 42.059 0.069 0.000 1.425 217 L HN -0.010 nan 8.230 nan 0.000 0.817 218 P HA 0.075 nan 4.420 nan 0.000 0.268 218 P C 0.557 178.231 177.300 0.624 0.000 1.208 218 P CA -0.018 63.381 63.100 0.498 0.000 0.777 218 P CB 0.486 32.393 31.700 0.345 0.000 0.875 219 D N -0.222 120.506 120.400 0.546 0.000 2.347 219 D HA 0.048 4.689 4.640 0.001 0.000 0.213 219 D C 0.072 176.793 176.300 0.702 0.000 0.985 219 D CA 1.045 55.444 54.000 0.665 0.000 0.879 219 D CB 0.378 41.385 40.800 0.346 0.000 0.919 219 D HN 0.079 nan 8.370 nan 0.000 0.526 220 V N 1.253 121.493 119.914 0.543 0.000 2.817 220 V HA 0.245 4.366 4.120 0.001 0.000 0.303 220 V C -0.573 175.721 176.094 0.335 0.000 1.151 220 V CA -0.732 61.846 62.300 0.464 0.000 0.929 220 V CB 2.810 34.936 31.823 0.505 0.000 1.030 220 V HN -0.113 nan 8.190 nan 0.000 0.427 221 L N 3.499 124.860 121.223 0.230 0.000 2.264 221 L HA 0.410 4.750 4.340 0.001 0.000 0.287 221 L C -0.975 176.106 176.870 0.352 0.000 1.039 221 L CA 0.009 54.976 54.840 0.211 0.000 0.829 221 L CB 0.992 43.087 42.059 0.060 0.000 1.211 221 L HN 0.737 nan 8.230 nan 0.000 0.427 222 W N 4.941 126.338 121.300 0.161 0.000 2.253 222 W HA 0.264 4.924 4.660 0.001 0.000 0.348 222 W C 0.461 176.866 176.519 -0.189 0.000 0.920 222 W CA -0.379 57.031 57.345 0.108 0.000 1.518 222 W CB 0.817 30.467 29.460 0.318 0.000 1.446 222 W HN 0.448 nan 8.180 nan 0.000 0.361 223 N N 2.705 121.151 118.700 -0.423 0.000 2.483 223 N HA 0.154 4.894 4.740 0.001 0.000 0.269 223 N C -1.104 174.111 175.510 -0.491 0.000 1.209 223 N CA 0.401 53.045 53.050 -0.676 0.000 0.969 223 N CB 0.940 38.450 38.487 -1.629 0.000 1.173 223 N HN 0.241 nan 8.380 nan 0.000 0.475 224 D N 1.404 121.587 120.400 -0.362 0.000 2.732 224 D HA 0.372 5.012 4.640 0.001 0.000 0.229 224 D C -0.338 175.928 176.300 -0.057 0.000 1.152 224 D CA -0.148 53.778 54.000 -0.123 0.000 0.854 224 D CB 0.826 41.651 40.800 0.042 0.000 1.590 224 D HN 0.491 nan 8.370 nan 0.000 0.468 225 M N 1.029 120.639 119.600 0.016 0.000 2.879 225 M HA -0.105 4.375 4.480 0.001 0.000 0.210 225 M C 0.524 176.820 176.300 -0.006 0.000 0.550 225 M CA 1.167 56.479 55.300 0.019 0.000 0.732 225 M CB -2.384 30.206 32.600 -0.017 0.000 2.662 225 M HN 0.890 nan 8.290 nan 0.000 0.516 226 G N -0.434 108.358 108.800 -0.013 0.000 2.796 226 G HA2 -0.170 3.790 3.960 0.001 0.000 0.571 226 G HA3 -0.170 3.790 3.960 0.001 0.000 0.571 226 G C -0.832 174.173 174.900 0.174 0.000 1.370 226 G CA -0.147 44.991 45.100 0.063 0.000 0.856 226 G HN 0.744 nan 8.290 nan 0.000 0.538 227 W N 1.016 122.346 121.300 0.051 0.000 2.736 227 W HA 0.563 5.224 4.660 0.001 0.000 0.335 227 W C -2.177 174.408 176.519 0.110 0.000 1.059 227 W CA -2.026 55.390 57.345 0.118 0.000 1.226 227 W CB 1.911 31.515 29.460 0.240 0.000 1.416 227 W HN 0.530 nan 8.180 nan 0.000 0.505 228 P HA -0.172 nan 4.420 nan 0.000 0.257 228 P C 0.631 177.939 177.300 0.014 0.000 1.153 228 P CA 0.971 63.965 63.100 -0.176 0.000 0.762 228 P CB 0.492 32.000 31.700 -0.319 0.000 0.743 229 E N 3.915 124.137 120.200 0.037 0.000 2.130 229 E HA -0.240 4.110 4.350 0.001 0.000 0.196 229 E C 1.136 177.782 176.600 0.077 0.000 0.998 229 E CA 1.746 58.192 56.400 0.077 0.000 0.806 229 E CB -0.237 29.483 29.700 0.032 0.000 0.738 229 E HN 0.397 nan 8.360 nan 0.000 0.459 230 K N -1.558 118.841 120.400 -0.001 0.000 2.504 230 K HA 0.046 4.367 4.320 0.001 0.000 0.195 230 K C 1.484 178.146 176.600 0.104 0.000 1.036 230 K CA 0.785 57.071 56.287 -0.002 0.000 0.984 230 K CB 0.246 32.620 32.500 -0.210 0.000 0.788 230 K HN 0.171 nan 8.250 nan 0.000 0.488 231 G N 0.414 109.320 108.800 0.177 0.000 3.192 231 G HA2 -0.016 3.944 3.960 0.001 0.000 0.239 231 G HA3 -0.016 3.944 3.960 0.001 0.000 0.239 231 G C 0.855 176.051 174.900 0.492 0.000 1.084 231 G CA -0.307 44.998 45.100 0.342 0.000 0.784 231 G HN 0.059 nan 8.290 nan 0.000 0.540 232 K N 0.704 121.365 120.400 0.436 0.000 2.113 232 K HA -0.090 4.230 4.320 0.001 0.000 0.208 232 K C 1.930 178.656 176.600 0.210 0.000 1.047 232 K CA 1.038 57.522 56.287 0.328 0.000 0.928 232 K CB 0.071 32.739 32.500 0.280 0.000 0.716 232 K HN 0.152 nan 8.250 nan 0.000 0.446 233 E N 0.904 121.215 120.200 0.184 0.000 2.347 233 E HA -0.136 4.215 4.350 0.001 0.000 0.196 233 E C 1.224 177.859 176.600 0.058 0.000 1.008 233 E CA 0.817 57.293 56.400 0.126 0.000 0.852 233 E CB 0.001 29.773 29.700 0.119 0.000 0.783 233 E HN 0.291 nan 8.360 nan 0.000 0.505 234 D N 0.742 121.176 120.400 0.057 0.000 2.144 234 D HA -0.118 4.522 4.640 0.001 0.000 0.199 234 D C 2.075 178.321 176.300 -0.090 0.000 0.984 234 D CA 0.545 54.557 54.000 0.020 0.000 0.834 234 D CB -0.288 40.493 40.800 -0.032 0.000 0.955 234 D HN 0.204 nan 8.370 nan 0.000 0.465 235 L N 0.526 121.523 121.223 -0.376 0.000 2.189 235 L HA -0.193 4.147 4.340 0.001 0.000 0.214 235 L C 2.251 178.560 176.870 -0.935 0.000 1.097 235 L CA 1.063 55.340 54.840 -0.938 0.000 0.764 235 L CB -0.462 40.850 42.059 -1.245 0.000 0.900 235 L HN 0.022 nan 8.230 nan 0.000 0.436 236 K N -0.250 119.667 120.400 -0.805 0.000 2.009 236 K HA -0.199 4.122 4.320 0.001 0.000 0.210 236 K C 2.133 178.262 176.600 -0.786 0.000 1.049 236 K CA 1.901 57.539 56.287 -1.083 0.000 0.929 236 K CB -0.326 31.351 32.500 -1.371 0.000 0.714 236 K HN 0.213 nan 8.250 nan 0.000 0.440 237 Y N 0.847 120.959 120.300 -0.313 0.000 2.133 237 Y HA -0.201 4.349 4.550 0.001 0.000 0.287 237 Y C 2.324 178.183 175.900 -0.069 0.000 1.134 237 Y CA 0.958 58.974 58.100 -0.139 0.000 1.133 237 Y CB -0.581 37.821 38.460 -0.098 0.000 0.987 237 Y HN 0.014 nan 8.280 nan 0.000 0.502 238 L N -0.720 120.500 121.223 -0.005 0.000 2.013 238 L HA -0.245 4.096 4.340 0.001 0.000 0.212 238 L C 2.181 179.048 176.870 -0.005 0.000 1.073 238 L CA 1.717 56.522 54.840 -0.059 0.000 0.753 238 L CB -0.562 41.348 42.059 -0.249 0.000 0.890 238 L HN 0.219 nan 8.230 nan 0.000 0.432 239 F N -0.587 119.150 119.950 -0.354 0.000 2.113 239 F HA -0.237 4.291 4.527 0.001 0.000 0.297 239 F C 2.608 178.132 175.800 -0.460 0.000 1.103 239 F CA 0.384 58.032 58.000 -0.586 0.000 1.248 239 F CB -0.499 38.114 39.000 -0.644 0.000 0.999 239 F HN 0.280 nan 8.300 nan 0.000 0.475 240 A N -0.162 122.624 122.820 -0.056 0.000 1.877 240 A HA -0.292 4.028 4.320 0.001 0.000 0.216 240 A C 1.884 179.564 177.584 0.161 0.000 1.186 240 A CA 1.577 53.650 52.037 0.060 0.000 0.620 240 A CB -1.519 17.489 19.000 0.014 0.000 0.822 240 A HN 0.507 nan 8.150 nan 0.000 0.443 241 Y N -1.070 119.257 120.300 0.045 0.000 2.069 241 Y HA -0.349 4.201 4.550 0.001 0.000 0.278 241 Y C 2.279 178.252 175.900 0.121 0.000 1.175 241 Y CA 2.304 60.455 58.100 0.085 0.000 1.134 241 Y CB -0.751 37.754 38.460 0.076 0.000 0.965 241 Y HN 0.480 nan 8.280 nan 0.000 0.498 242 Y N -1.152 119.201 120.300 0.088 0.000 2.145 242 Y HA -0.331 4.219 4.550 0.001 0.000 0.286 242 Y C 2.002 177.935 175.900 0.054 0.000 1.145 242 Y CA 1.885 59.988 58.100 0.004 0.000 1.148 242 Y CB -0.676 37.723 38.460 -0.102 0.000 0.981 242 Y HN 0.142 nan 8.280 nan 0.000 0.507 243 Y N 0.473 120.661 120.300 -0.188 0.000 2.293 243 Y HA -0.170 4.380 4.550 0.001 0.000 0.291 243 Y C 2.136 178.049 175.900 0.022 0.000 1.137 243 Y CA 0.921 58.847 58.100 -0.290 0.000 1.202 243 Y CB -0.868 37.273 38.460 -0.532 0.000 0.990 243 Y HN 0.278 nan 8.280 nan 0.000 0.537 244 N N 0.086 118.921 118.700 0.225 0.000 2.459 244 N HA -0.080 4.660 4.740 0.001 0.000 0.181 244 N C 1.309 176.831 175.510 0.021 0.000 1.046 244 N CA 0.851 53.987 53.050 0.143 0.000 0.904 244 N CB -0.027 38.520 38.487 0.100 0.000 0.964 244 N HN 0.408 nan 8.380 nan 0.000 0.444 245 K N -0.923 119.452 120.400 -0.043 0.000 2.352 245 K HA 0.040 4.360 4.320 0.001 0.000 0.194 245 K C -0.092 176.536 176.600 0.046 0.000 1.038 245 K CA 0.276 56.529 56.287 -0.056 0.000 1.023 245 K CB 0.441 32.856 32.500 -0.142 0.000 0.840 245 K HN 0.055 nan 8.250 nan 0.000 0.519 246 H N -0.351 118.643 119.070 -0.126 0.000 2.809 246 H HA 0.212 4.769 4.556 0.001 0.000 0.268 246 H C -2.754 172.535 175.328 -0.065 0.000 1.403 246 H CA -2.220 53.761 56.048 -0.112 0.000 1.564 246 H CB 1.010 30.663 29.762 -0.182 0.000 1.834 246 H HN -0.169 nan 8.280 nan 0.000 0.613 247 P HA -0.118 nan 4.420 nan 0.000 0.221 247 P C 0.628 177.911 177.300 -0.029 0.000 1.145 247 P CA 1.199 64.347 63.100 0.080 0.000 0.795 247 P CB 0.424 32.209 31.700 0.142 0.000 0.775 248 E N -0.671 119.437 120.200 -0.154 0.000 2.465 248 E HA 0.135 4.485 4.350 0.001 0.000 0.191 248 E C 1.248 177.743 176.600 -0.174 0.000 1.053 248 E CA -0.077 56.286 56.400 -0.063 0.000 0.869 248 E CB -0.009 29.812 29.700 0.201 0.000 0.977 248 E HN 0.211 nan 8.360 nan 0.000 0.483 249 G N 1.482 109.889 108.800 -0.656 0.000 2.621 249 G HA2 0.297 4.258 3.960 0.001 0.000 0.271 249 G HA3 0.297 4.258 3.960 0.001 0.000 0.271 249 G C -0.070 175.011 174.900 0.303 0.000 1.236 249 G CA -0.086 44.924 45.100 -0.150 0.000 0.958 249 G HN 0.170 nan 8.290 nan 0.000 0.512 250 S N -2.487 113.509 115.700 0.492 0.000 2.565 250 S HA 0.649 5.120 4.470 0.001 0.000 0.269 250 S C -0.883 173.844 174.600 0.212 0.000 1.153 250 S CA -0.226 58.171 58.200 0.328 0.000 0.835 250 S CB 1.473 64.740 63.200 0.113 0.000 1.122 250 S HN 1.877 nan 8.310 nan 0.000 0.462 251 V N -0.044 119.837 119.914 -0.055 0.000 2.876 251 V HA 0.796 4.917 4.120 0.001 0.000 0.312 251 V C -0.312 175.467 176.094 -0.524 0.000 1.085 251 V CA -0.924 61.251 62.300 -0.209 0.000 0.945 251 V CB 1.558 33.020 31.823 -0.602 0.000 1.017 251 V HN 1.171 nan 8.190 nan 0.000 0.428 252 N N 2.345 120.722 118.700 -0.539 0.000 2.385 252 N HA 0.255 4.995 4.740 0.001 0.000 0.291 252 N C 0.088 175.379 175.510 -0.364 0.000 1.298 252 N CA 0.286 52.720 53.050 -1.026 0.000 0.955 252 N CB 0.123 37.923 38.487 -1.145 0.000 1.096 252 N HN 0.890 nan 8.380 nan 0.000 0.543 253 D N -2.441 117.684 120.400 -0.459 0.000 2.559 253 D HA 0.124 4.765 4.640 0.001 0.000 0.234 253 D C -0.041 176.104 176.300 -0.259 0.000 1.226 253 D CA -0.202 53.627 54.000 -0.284 0.000 0.830 253 D CB -0.271 40.157 40.800 -0.620 0.000 1.028 253 D HN 0.465 nan 8.370 nan 0.000 0.492 254 R N -0.048 120.187 120.500 -0.442 0.000 2.694 254 R HA 0.229 4.570 4.340 0.001 0.000 0.334 254 R C -0.052 176.002 176.300 -0.410 0.000 1.143 254 R CA -0.257 55.595 56.100 -0.413 0.000 1.073 254 R CB -0.059 29.956 30.300 -0.476 0.000 1.366 254 R HN 0.191 nan 8.270 nan 0.000 0.577 255 W N -0.369 120.924 121.300 -0.012 0.000 2.762 255 W HA 0.256 4.916 4.660 0.001 0.000 0.265 255 W C 1.370 177.941 176.519 0.086 0.000 1.263 255 W CA 0.445 57.841 57.345 0.085 0.000 1.411 255 W CB 0.362 29.857 29.460 0.059 0.000 1.065 255 W HN 0.269 nan 8.180 nan 0.000 0.609 256 G N 1.232 110.167 108.800 0.224 0.000 2.182 256 G HA2 -0.124 3.836 3.960 0.001 0.000 0.248 256 G HA3 -0.124 3.836 3.960 0.001 0.000 0.248 256 G C -0.175 174.773 174.900 0.080 0.000 1.042 256 G CA 0.204 45.379 45.100 0.126 0.000 0.775 256 G HN 0.544 nan 8.290 nan 0.000 0.501 257 V N -4.675 115.257 119.914 0.030 0.000 3.126 257 V HA 0.888 5.008 4.120 0.001 0.000 0.314 257 V C -0.803 175.047 176.094 -0.407 0.000 1.138 257 V CA -1.391 60.752 62.300 -0.263 0.000 1.034 257 V CB 1.333 32.917 31.823 -0.398 0.000 1.075 257 V HN -0.061 nan 8.190 nan 0.000 0.442 258 P HA -0.073 nan 4.420 nan 0.000 0.220 258 P C 0.019 177.108 177.300 -0.353 0.000 1.144 258 P CA 1.624 64.359 63.100 -0.608 0.000 0.800 258 P CB -0.184 30.991 31.700 -0.875 0.000 0.772 259 H N -0.633 118.175 119.070 -0.437 0.000 2.472 259 H HA 0.454 5.010 4.556 0.001 0.000 0.338 259 H C -0.755 174.517 175.328 -0.094 0.000 1.133 259 H CA -0.700 55.204 56.048 -0.240 0.000 1.216 259 H CB 0.644 30.425 29.762 0.032 0.000 1.497 259 H HN 0.003 nan 8.280 nan 0.000 0.500 260 W N 3.717 124.486 121.300 -0.884 0.000 3.161 260 W HA 0.239 4.900 4.660 0.000 0.000 0.314 260 W C -1.275 174.826 176.519 -0.697 0.000 1.245 260 W CA -0.615 56.330 57.345 -0.667 0.000 1.191 260 W CB 0.725 29.953 29.460 -0.386 0.000 1.392 260 W HN 0.446 nan 8.180 nan 0.000 0.568 261 D N 1.007 121.294 120.400 -0.188 0.000 2.380 261 D HA 0.119 4.760 4.640 0.001 0.000 0.212 261 D C -0.024 176.472 176.300 0.327 0.000 1.021 261 D CA 1.189 55.163 54.000 -0.045 0.000 0.884 261 D CB 0.863 41.662 40.800 -0.000 0.000 1.001 261 D HN 0.234 nan 8.370 nan 0.000 0.506 262 F N -0.490 119.660 119.950 0.334 0.000 2.635 262 F HA 0.490 5.018 4.527 0.001 0.000 0.314 262 F C -0.534 175.291 175.800 0.041 0.000 1.119 262 F CA -1.408 56.760 58.000 0.280 0.000 1.000 262 F CB 0.931 39.991 39.000 0.099 0.000 1.278 262 F HN -0.494 nan 8.300 nan 0.000 0.446 263 K N 0.976 121.392 120.400 0.027 0.000 2.117 263 K HA 0.722 5.043 4.320 0.001 0.000 0.240 263 K C -0.276 176.454 176.600 0.217 0.000 1.031 263 K CA -0.503 55.646 56.287 -0.230 0.000 0.909 263 K CB 1.311 33.522 32.500 -0.482 0.000 1.097 263 K HN 0.892 nan 8.250 nan 0.000 0.492 264 T N -2.706 111.916 114.554 0.113 0.000 2.906 264 T HA 0.744 5.095 4.350 0.001 0.000 0.295 264 T C -1.166 173.723 174.700 0.316 0.000 1.061 264 T CA -1.063 61.224 62.100 0.312 0.000 1.000 264 T CB 1.879 70.882 68.868 0.225 0.000 1.103 264 T HN 0.586 nan 8.240 nan 0.000 0.486 265 A N 1.274 124.382 122.820 0.480 0.000 2.422 265 A HA 0.786 5.107 4.320 0.001 0.000 0.302 265 A C -0.825 177.095 177.584 0.560 0.000 1.041 265 A CA -0.796 51.527 52.037 0.476 0.000 0.708 265 A CB 1.649 20.944 19.000 0.491 0.000 1.257 265 A HN 1.001 nan 8.150 nan 0.000 0.414 266 E N 1.920 122.418 120.200 0.497 0.000 2.218 266 E HA 0.577 4.927 4.350 0.001 0.000 0.263 266 E C -0.759 176.191 176.600 0.584 0.000 0.879 266 E CA -0.444 56.245 56.400 0.483 0.000 0.762 266 E CB 0.728 30.730 29.700 0.503 0.000 1.166 266 E HN 0.635 nan 8.360 nan 0.000 0.415 267 Y N 1.219 121.731 120.300 0.353 0.000 2.353 267 Y HA -0.491 4.059 4.550 0.001 0.000 0.357 267 Y C 1.827 177.941 175.900 0.358 0.000 0.979 267 Y CA 1.721 60.005 58.100 0.307 0.000 1.930 267 Y CB -0.979 37.548 38.460 0.112 0.000 0.989 267 Y HN 0.762 nan 8.280 nan 0.000 0.724 268 H N -0.565 118.782 119.070 0.461 0.000 2.353 268 H HA -0.065 4.492 4.556 0.001 0.000 0.298 268 H C 0.778 176.272 175.328 0.277 0.000 1.103 268 H CA 1.395 57.603 56.048 0.268 0.000 1.293 268 H CB -0.972 28.881 29.762 0.153 0.000 1.372 268 H HN 0.198 nan 8.280 nan 0.000 0.501 269 V N 3.518 123.647 119.914 0.360 0.000 2.583 269 V HA -0.158 3.963 4.120 0.001 0.000 0.302 269 V C 1.152 177.399 176.094 0.255 0.000 1.033 269 V CA 0.473 62.920 62.300 0.246 0.000 1.194 269 V CB -0.189 31.741 31.823 0.178 0.000 0.879 269 V HN 0.637 nan 8.190 nan 0.000 0.482 270 N N 1.843 120.638 118.700 0.159 0.000 2.753 270 N HA -0.255 4.486 4.740 0.001 0.000 0.251 270 N C -0.185 175.349 175.510 0.040 0.000 1.097 270 N CA 0.888 53.990 53.050 0.086 0.000 0.786 270 N CB -0.919 37.611 38.487 0.071 0.000 1.137 270 N HN 0.834 nan 8.380 nan 0.000 0.566 271 Y N 2.832 123.149 120.300 0.029 0.000 2.496 271 Y HA 0.177 4.727 4.550 0.001 0.000 0.334 271 Y C -1.358 174.420 175.900 -0.203 0.000 1.080 271 Y CA -1.067 56.994 58.100 -0.066 0.000 1.355 271 Y CB 0.611 39.078 38.460 0.012 0.000 1.193 271 Y HN 0.067 nan 8.280 nan 0.000 0.523 272 P HA 0.147 nan 4.420 nan 0.000 0.275 272 P C 0.242 177.431 177.300 -0.185 0.000 1.227 272 P CA -0.114 62.693 63.100 -0.489 0.000 0.781 272 P CB 1.648 32.842 31.700 -0.844 0.000 0.906 273 G N 1.005 109.762 108.800 -0.072 0.000 2.539 273 G HA2 0.007 3.967 3.960 0.001 0.000 0.215 273 G HA3 0.007 3.967 3.960 0.001 0.000 0.215 273 G C 0.228 175.124 174.900 -0.005 0.000 1.141 273 G CA 0.408 45.516 45.100 0.013 0.000 0.806 273 G HN 0.576 nan 8.290 nan 0.000 0.533 274 D N -1.772 118.595 120.400 -0.054 0.000 2.752 274 D HA 0.343 4.983 4.640 0.001 0.000 0.313 274 D C -0.224 176.032 176.300 -0.072 0.000 1.225 274 D CA -0.842 53.138 54.000 -0.034 0.000 0.976 274 D CB 0.629 41.412 40.800 -0.028 0.000 1.443 274 D HN -0.115 nan 8.370 nan 0.000 0.515 275 L N 2.014 123.213 121.223 -0.040 0.000 2.700 275 L HA 0.084 4.424 4.340 0.001 0.000 0.276 275 L C -1.332 175.460 176.870 -0.130 0.000 1.200 275 L CA -0.606 54.203 54.840 -0.051 0.000 0.951 275 L CB -0.123 41.921 42.059 -0.024 0.000 1.226 275 L HN 0.413 nan 8.230 nan 0.000 0.489 276 P HA -0.011 nan 4.420 nan 0.000 0.215 276 P C 1.057 178.175 177.300 -0.304 0.000 1.157 276 P CA 1.088 63.919 63.100 -0.449 0.000 0.856 276 P CB 0.294 31.381 31.700 -1.022 0.000 0.786 277 G N -2.485 106.183 108.800 -0.220 0.000 2.163 277 G HA2 -0.145 3.815 3.960 0.001 0.000 0.213 277 G HA3 -0.145 3.815 3.960 0.001 0.000 0.213 277 G C -0.205 174.787 174.900 0.154 0.000 0.991 277 G CA -0.070 45.031 45.100 0.001 0.000 0.653 277 G HN 0.469 nan 8.290 nan 0.000 0.518 278 Y N -2.047 118.366 120.300 0.189 0.000 2.609 278 Y HA 0.840 5.390 4.550 0.001 0.000 0.336 278 Y C -0.251 175.862 175.900 0.356 0.000 1.129 278 Y CA -2.033 56.235 58.100 0.281 0.000 1.040 278 Y CB 0.679 39.377 38.460 0.396 0.000 1.310 278 Y HN 0.112 nan 8.280 nan 0.000 0.460 279 K N 2.947 123.679 120.400 0.553 0.000 2.270 279 K HA 0.390 4.711 4.320 0.001 0.000 0.276 279 K C -1.086 175.928 176.600 0.690 0.000 1.023 279 K CA -0.282 56.298 56.287 0.489 0.000 0.955 279 K CB 0.404 33.145 32.500 0.403 0.000 0.975 279 K HN 0.811 nan 8.250 nan 0.000 0.471 280 W N 1.856 123.335 121.300 0.299 0.000 3.025 280 W HA 0.546 5.207 4.660 0.001 0.000 0.343 280 W C -1.451 175.237 176.519 0.281 0.000 1.246 280 W CA -0.782 56.755 57.345 0.321 0.000 1.178 280 W CB 0.604 30.185 29.460 0.201 0.000 1.463 280 W HN 0.653 nan 8.180 nan 0.000 0.578 281 E N 1.260 121.695 120.200 0.391 0.000 2.275 281 E HA 0.458 4.809 4.350 0.001 0.000 0.270 281 E C -2.198 174.616 176.600 0.358 0.000 0.882 281 E CA -0.681 55.800 56.400 0.137 0.000 0.758 281 E CB 2.769 32.644 29.700 0.292 0.000 1.195 281 E HN 0.299 nan 8.360 nan 0.000 0.419 282 F N 2.870 122.824 119.950 0.006 0.000 2.399 282 F HA 0.566 5.093 4.527 0.001 0.000 0.334 282 F C -0.542 175.374 175.800 0.194 0.000 1.097 282 F CA -0.061 58.078 58.000 0.232 0.000 1.076 282 F CB 1.931 41.072 39.000 0.234 0.000 1.162 282 F HN 0.324 nan 8.300 nan 0.000 0.495 283 T N 5.725 120.007 114.554 -0.454 0.000 2.903 283 T HA 0.823 5.174 4.350 0.001 0.000 0.299 283 T C -1.403 172.835 174.700 -0.769 0.000 1.093 283 T CA -0.649 61.211 62.100 -0.400 0.000 1.002 283 T CB 1.110 70.067 68.868 0.148 0.000 1.127 283 T HN 0.975 nan 8.240 nan 0.000 0.488 284 R N 0.962 121.084 120.500 -0.630 0.000 2.765 284 R HA 0.630 4.970 4.340 0.001 0.000 0.277 284 R C -0.391 175.427 176.300 -0.803 0.000 1.028 284 R CA -1.262 54.264 56.100 -0.956 0.000 0.860 284 R CB 0.171 29.664 30.300 -1.345 0.000 1.270 284 R HN 0.797 nan 8.270 nan 0.000 0.484 285 G N 0.344 108.598 108.800 -0.910 0.000 2.504 285 G HA2 0.394 4.355 3.960 0.001 0.000 0.288 285 G HA3 0.394 4.355 3.960 0.001 0.000 0.288 285 G C 0.710 175.415 174.900 -0.325 0.000 1.182 285 G CA -1.122 43.592 45.100 -0.645 0.000 0.894 285 G HN 0.575 nan 8.290 nan 0.000 0.521 286 I N 0.701 121.143 120.570 -0.213 0.000 2.454 286 I HA -0.041 4.129 4.170 0.001 0.000 0.254 286 I C 1.939 178.007 176.117 -0.083 0.000 1.156 286 I CA 1.131 62.357 61.300 -0.122 0.000 1.433 286 I CB -0.264 37.690 38.000 -0.076 0.000 1.082 286 I HN 0.525 nan 8.210 nan 0.000 0.432 287 G N 0.018 108.766 108.800 -0.086 0.000 3.099 287 G HA2 0.456 4.416 3.960 0.001 0.000 0.151 287 G HA3 0.456 4.416 3.960 0.001 0.000 0.151 287 G C 0.561 175.473 174.900 0.019 0.000 1.265 287 G CA -0.438 44.650 45.100 -0.020 0.000 0.981 287 G HN 0.052 nan 8.290 nan 0.000 0.601 288 L N -0.270 120.965 121.223 0.020 0.000 2.408 288 L HA 0.268 4.609 4.340 0.001 0.000 0.215 288 L C 1.557 178.400 176.870 -0.044 0.000 1.081 288 L CA 0.341 55.215 54.840 0.056 0.000 0.840 288 L CB 0.244 42.304 42.059 0.002 0.000 1.002 288 L HN 0.363 nan 8.230 nan 0.000 0.468 289 S N -1.320 114.307 115.700 -0.122 0.000 2.654 289 S HA 0.390 4.860 4.470 0.001 0.000 0.283 289 S C 0.510 174.921 174.600 -0.314 0.000 1.180 289 S CA -0.522 57.580 58.200 -0.164 0.000 1.021 289 S CB 1.034 64.182 63.200 -0.087 0.000 1.018 289 S HN 0.080 nan 8.310 nan 0.000 0.532 290 F N 1.880 121.582 119.950 -0.412 0.000 2.274 290 F HA 0.330 4.857 4.527 0.001 0.000 0.288 290 F C 1.893 177.596 175.800 -0.161 0.000 1.069 290 F CA 0.515 58.259 58.000 -0.428 0.000 1.343 290 F CB -0.854 37.639 39.000 -0.845 0.000 1.089 290 F HN 0.689 nan 8.300 nan 0.000 0.517 291 G N -1.111 107.772 108.800 0.137 0.000 2.503 291 G HA2 0.104 4.065 3.960 0.001 0.000 0.257 291 G HA3 0.104 4.065 3.960 0.001 0.000 0.257 291 G C -1.200 173.825 174.900 0.210 0.000 1.214 291 G CA -0.346 44.913 45.100 0.265 0.000 0.839 291 G HN 0.137 nan 8.290 nan 0.000 0.559 292 Y N 1.698 122.084 120.300 0.143 0.000 2.810 292 Y HA 0.102 4.652 4.550 0.001 0.000 0.332 292 Y C 0.107 176.042 175.900 0.058 0.000 1.243 292 Y CA -0.238 57.911 58.100 0.081 0.000 1.537 292 Y CB 0.494 39.015 38.460 0.102 0.000 1.265 292 Y HN 0.451 nan 8.280 nan 0.000 0.572 293 N N 5.736 124.080 118.700 -0.592 0.000 2.531 293 N HA 0.168 4.908 4.740 0.001 0.000 0.268 293 N C 0.463 175.511 175.510 -0.770 0.000 1.023 293 N CA -0.763 51.918 53.050 -0.615 0.000 0.896 293 N CB 0.693 38.964 38.487 -0.359 0.000 1.233 293 N HN 0.811 nan 8.380 nan 0.000 0.512 294 R N 2.372 122.340 120.500 -0.887 0.000 2.341 294 R HA 0.014 4.355 4.340 0.001 0.000 0.213 294 R C -0.367 175.805 176.300 -0.213 0.000 1.082 294 R CA 0.789 56.634 56.100 -0.425 0.000 1.017 294 R CB -0.067 30.158 30.300 -0.125 0.000 0.860 294 R HN 0.284 nan 8.270 nan 0.000 0.473 295 N N 1.028 119.527 118.700 -0.334 0.000 2.422 295 N HA 0.010 4.750 4.740 0.001 0.000 0.181 295 N C -0.349 175.029 175.510 -0.220 0.000 1.080 295 N CA 0.395 53.265 53.050 -0.299 0.000 0.893 295 N CB 0.267 38.431 38.487 -0.539 0.000 0.973 295 N HN 0.429 nan 8.380 nan 0.000 0.456 296 E N -0.117 119.962 120.200 -0.202 0.000 2.331 296 E HA 0.449 4.800 4.350 0.001 0.000 0.272 296 E C 0.299 176.994 176.600 0.158 0.000 1.036 296 E CA -0.335 56.039 56.400 -0.043 0.000 0.864 296 E CB 1.211 30.866 29.700 -0.076 0.000 1.035 296 E HN 0.137 nan 8.360 nan 0.000 0.408 297 G N 1.816 110.846 108.800 0.383 0.000 2.788 297 G HA2 0.281 4.242 3.960 0.001 0.000 0.293 297 G HA3 0.281 4.242 3.960 0.001 0.000 0.293 297 G C -2.001 172.913 174.900 0.023 0.000 1.305 297 G CA -1.243 43.930 45.100 0.122 0.000 1.005 297 G HN 0.257 nan 8.290 nan 0.000 0.496 298 P HA -0.152 nan 4.420 nan 0.000 0.218 298 P C 0.987 178.209 177.300 -0.130 0.000 1.146 298 P CA 1.231 64.299 63.100 -0.054 0.000 0.820 298 P CB 0.316 31.990 31.700 -0.043 0.000 0.778 299 E N -0.247 119.787 120.200 -0.276 0.000 2.114 299 E HA -0.209 4.142 4.350 0.001 0.000 0.199 299 E C 1.865 178.220 176.600 -0.409 0.000 1.008 299 E CA 1.407 57.551 56.400 -0.427 0.000 0.810 299 E CB -1.195 28.059 29.700 -0.745 0.000 0.739 299 E HN 0.600 nan 8.360 nan 0.000 0.456 300 H N -1.272 117.784 119.070 -0.023 0.000 2.551 300 H HA 0.306 4.862 4.556 0.001 0.000 0.271 300 H C 0.549 175.867 175.328 -0.018 0.000 0.984 300 H CA 0.112 56.147 56.048 -0.021 0.000 1.164 300 H CB 0.085 29.823 29.762 -0.041 0.000 1.437 300 H HN 0.168 nan 8.280 nan 0.000 0.550 301 M N 1.106 120.738 119.600 0.053 0.000 2.573 301 M HA 0.308 4.788 4.480 0.001 0.000 0.309 301 M C 0.027 176.320 176.300 -0.012 0.000 1.202 301 M CA -0.705 54.606 55.300 0.019 0.000 0.975 301 M CB 2.250 34.853 32.600 0.006 0.000 1.600 301 M HN -0.057 nan 8.290 nan 0.000 0.479 302 L N 0.485 121.689 121.223 -0.032 0.000 2.468 302 L HA 0.348 4.688 4.340 0.001 0.000 0.254 302 L C 0.373 177.200 176.870 -0.071 0.000 1.171 302 L CA -0.378 54.430 54.840 -0.053 0.000 0.809 302 L CB 1.277 43.291 42.059 -0.074 0.000 1.155 302 L HN 0.766 nan 8.230 nan 0.000 0.473 303 S N -0.883 114.759 115.700 -0.097 0.000 2.509 303 S HA 0.289 4.759 4.470 0.001 0.000 0.297 303 S C 0.974 175.474 174.600 -0.167 0.000 1.118 303 S CA -0.959 57.174 58.200 -0.111 0.000 1.074 303 S CB 1.745 64.881 63.200 -0.106 0.000 1.038 303 S HN 0.323 nan 8.310 nan 0.000 0.498 304 V N 2.219 122.044 119.914 -0.148 0.000 2.311 304 V HA -0.326 3.795 4.120 0.001 0.000 0.259 304 V C 2.459 178.355 176.094 -0.329 0.000 1.086 304 V CA 2.691 64.878 62.300 -0.188 0.000 1.078 304 V CB -1.434 30.317 31.823 -0.119 0.000 0.668 304 V HN 0.930 nan 8.190 nan 0.000 0.452 305 E N -0.222 119.756 120.200 -0.370 0.000 2.047 305 E HA -0.221 4.130 4.350 0.001 0.000 0.191 305 E C 2.282 178.314 176.600 -0.947 0.000 0.987 305 E CA 1.331 57.323 56.400 -0.681 0.000 0.799 305 E CB -0.356 29.022 29.700 -0.537 0.000 0.752 305 E HN 0.686 nan 8.360 nan 0.000 0.449 306 Q N 0.163 119.652 119.800 -0.520 0.000 2.170 306 Q HA -0.110 4.231 4.340 0.001 0.000 0.203 306 Q C 2.240 178.071 176.000 -0.282 0.000 0.976 306 Q CA 0.844 56.466 55.803 -0.303 0.000 0.858 306 Q CB -0.116 28.542 28.738 -0.133 0.000 0.907 306 Q HN 0.301 nan 8.270 nan 0.000 0.433 307 L N -0.093 120.944 121.223 -0.309 0.000 2.056 307 L HA -0.174 4.166 4.340 0.001 0.000 0.207 307 L C 2.221 178.854 176.870 -0.395 0.000 1.078 307 L CA 0.918 55.588 54.840 -0.284 0.000 0.749 307 L CB -0.224 41.678 42.059 -0.261 0.000 0.901 307 L HN 0.152 nan 8.230 nan 0.000 0.433 308 V N -1.111 118.454 119.914 -0.581 0.000 2.427 308 V HA -0.319 3.801 4.120 0.001 0.000 0.248 308 V C 2.100 177.864 176.094 -0.551 0.000 1.051 308 V CA 1.640 63.450 62.300 -0.817 0.000 1.048 308 V CB -0.760 30.306 31.823 -1.263 0.000 0.666 308 V HN 0.393 nan 8.190 nan 0.000 0.456 309 Y N 0.397 120.443 120.300 -0.423 0.000 2.200 309 Y HA -0.233 4.318 4.550 0.001 0.000 0.290 309 Y C 2.899 178.649 175.900 -0.251 0.000 1.137 309 Y CA 1.154 59.069 58.100 -0.309 0.000 1.163 309 Y CB -0.571 37.756 38.460 -0.221 0.000 0.988 309 Y HN 0.215 nan 8.280 nan 0.000 0.518 310 T N 0.932 115.442 114.554 -0.073 0.000 2.652 310 T HA -0.231 4.120 4.350 0.001 0.000 0.267 310 T C 1.873 176.519 174.700 -0.091 0.000 1.039 310 T CA 1.478 63.534 62.100 -0.073 0.000 1.153 310 T CB -0.642 68.206 68.868 -0.032 0.000 0.863 310 T HN 0.163 nan 8.240 nan 0.000 0.428 311 L N 1.191 122.306 121.223 -0.180 0.000 2.012 311 L HA -0.084 4.257 4.340 0.001 0.000 0.210 311 L C 2.441 179.206 176.870 -0.176 0.000 1.073 311 L CA 1.576 56.290 54.840 -0.211 0.000 0.748 311 L CB -0.657 41.188 42.059 -0.356 0.000 0.891 311 L HN 0.089 nan 8.230 nan 0.000 0.431 312 V N -0.449 119.347 119.914 -0.196 0.000 2.427 312 V HA -0.298 3.823 4.120 0.001 0.000 0.248 312 V C 2.244 178.288 176.094 -0.083 0.000 1.051 312 V CA 1.958 64.175 62.300 -0.138 0.000 1.048 312 V CB -0.715 31.017 31.823 -0.150 0.000 0.666 312 V HN 0.573 nan 8.190 nan 0.000 0.456 313 D N -0.274 120.089 120.400 -0.063 0.000 2.117 313 D HA -0.153 4.487 4.640 0.001 0.000 0.197 313 D C 2.046 178.389 176.300 0.071 0.000 0.987 313 D CA 1.365 55.367 54.000 0.003 0.000 0.829 313 D CB 0.033 40.841 40.800 0.013 0.000 0.961 313 D HN 0.193 nan 8.370 nan 0.000 0.460 314 V N -0.206 119.729 119.914 0.034 0.000 2.295 314 V HA -0.198 3.922 4.120 0.001 0.000 0.246 314 V C 2.479 178.515 176.094 -0.096 0.000 1.049 314 V CA 1.242 63.532 62.300 -0.016 0.000 1.024 314 V CB -0.308 31.449 31.823 -0.111 0.000 0.648 314 V HN 0.180 nan 8.190 nan 0.000 0.447 315 V N 0.981 120.833 119.914 -0.102 0.000 2.515 315 V HA -0.193 3.927 4.120 0.001 0.000 0.250 315 V C 2.638 178.722 176.094 -0.016 0.000 1.058 315 V CA 2.046 64.287 62.300 -0.099 0.000 1.064 315 V CB -0.728 31.029 31.823 -0.109 0.000 0.675 315 V HN 0.770 nan 8.190 nan 0.000 0.461 316 S N 0.081 115.793 115.700 0.021 0.000 2.474 316 S HA -0.127 4.343 4.470 0.001 0.000 0.235 316 S C 1.477 176.153 174.600 0.128 0.000 0.997 316 S CA 0.875 59.123 58.200 0.081 0.000 0.949 316 S CB -0.369 62.871 63.200 0.067 0.000 0.766 316 S HN 0.678 nan 8.310 nan 0.000 0.517 317 K N 0.812 121.304 120.400 0.155 0.000 2.493 317 K HA 0.357 4.678 4.320 0.001 0.000 0.207 317 K C 1.058 177.869 176.600 0.351 0.000 1.033 317 K CA 0.227 56.662 56.287 0.247 0.000 1.161 317 K CB 0.027 32.734 32.500 0.345 0.000 0.873 317 K HN 0.461 nan 8.250 nan 0.000 0.491 318 G N 0.993 109.892 108.800 0.165 0.000 2.189 318 G HA2 -0.284 3.676 3.960 0.001 0.000 0.267 318 G HA3 -0.284 3.676 3.960 0.001 0.000 0.267 318 G C 0.450 175.247 174.900 -0.172 0.000 0.975 318 G CA 0.142 45.303 45.100 0.101 0.000 0.644 318 G HN 0.537 nan 8.290 nan 0.000 0.537 319 G N -0.853 107.630 108.800 -0.528 0.000 2.535 319 G HA2 0.562 4.523 3.960 0.001 0.000 0.303 319 G HA3 0.562 4.523 3.960 0.001 0.000 0.303 319 G C -0.460 174.034 174.900 -0.676 0.000 1.237 319 G CA -0.403 43.894 45.100 -1.338 0.000 0.986 319 G HN 0.305 nan 8.290 nan 0.000 0.494 320 N N -1.470 116.864 118.700 -0.610 0.000 2.269 320 N HA 0.513 5.254 4.740 0.001 0.000 0.304 320 N C -1.174 174.210 175.510 -0.211 0.000 1.072 320 N CA -0.588 52.258 53.050 -0.340 0.000 0.802 320 N CB 2.180 40.424 38.487 -0.406 0.000 1.348 320 N HN 0.410 nan 8.380 nan 0.000 0.484 321 L N 2.110 123.300 121.223 -0.055 0.000 2.296 321 L HA 0.627 4.967 4.340 0.001 0.000 0.286 321 L C -1.391 175.518 176.870 0.066 0.000 1.023 321 L CA -0.612 54.266 54.840 0.063 0.000 0.812 321 L CB 0.907 43.024 42.059 0.097 0.000 1.223 321 L HN 0.473 nan 8.230 nan 0.000 0.421 322 L N 6.094 127.305 121.223 -0.020 0.000 2.335 322 L HA 0.490 4.831 4.340 0.001 0.000 0.268 322 L C -1.126 175.655 176.870 -0.149 0.000 1.037 322 L CA -0.326 54.403 54.840 -0.186 0.000 0.895 322 L CB 1.018 42.904 42.059 -0.288 0.000 1.266 322 L HN 0.724 nan 8.230 nan 0.000 0.439 323 L N 4.370 125.557 121.223 -0.061 0.000 2.319 323 L HA 0.389 4.730 4.340 0.001 0.000 0.280 323 L C 0.015 176.845 176.870 -0.066 0.000 1.099 323 L CA 0.313 55.138 54.840 -0.026 0.000 0.828 323 L CB 0.776 42.940 42.059 0.175 0.000 1.150 323 L HN 0.742 nan 8.230 nan 0.000 0.442 324 N N 3.310 121.957 118.700 -0.089 0.000 2.499 324 N HA 0.465 5.206 4.740 0.001 0.000 0.281 324 N C -1.289 174.144 175.510 -0.127 0.000 1.098 324 N CA -0.434 52.579 53.050 -0.062 0.000 0.979 324 N CB 1.191 39.574 38.487 -0.173 0.000 1.121 324 N HN 0.422 nan 8.380 nan 0.000 0.466 325 V N 1.581 121.433 119.914 -0.103 0.000 2.581 325 V HA 0.698 4.818 4.120 0.001 0.000 0.303 325 V C 0.460 176.513 176.094 -0.069 0.000 1.041 325 V CA -0.695 61.540 62.300 -0.107 0.000 0.907 325 V CB 1.746 33.476 31.823 -0.156 0.000 0.994 325 V HN 0.853 nan 8.190 nan 0.000 0.442 326 G N 4.952 113.738 108.800 -0.023 0.000 3.302 326 G HA2 0.574 4.535 3.960 0.001 0.000 0.338 326 G HA3 0.574 4.535 3.960 0.001 0.000 0.338 326 G C -2.878 172.063 174.900 0.069 0.000 1.405 326 G CA -1.298 43.853 45.100 0.084 0.000 1.090 326 G HN 0.507 nan 8.290 nan 0.000 0.482 327 P HA 0.086 nan 4.420 nan 0.000 0.270 327 P C 0.275 177.598 177.300 0.038 0.000 1.227 327 P CA 0.072 63.096 63.100 -0.127 0.000 0.788 327 P CB 0.970 32.370 31.700 -0.500 0.000 0.926 328 K N 0.143 120.520 120.400 -0.038 0.000 2.090 328 K HA 0.333 4.654 4.320 0.001 0.000 0.250 328 K C 1.868 178.698 176.600 0.384 0.000 1.004 328 K CA -0.180 56.076 56.287 -0.051 0.000 0.919 328 K CB 0.149 32.517 32.500 -0.221 0.000 1.045 328 K HN 0.495 nan 8.250 nan 0.000 0.471 329 G N 1.097 110.079 108.800 0.304 0.000 2.450 329 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 329 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 329 G C 0.844 176.031 174.900 0.477 0.000 1.130 329 G CA 1.310 46.637 45.100 0.379 0.000 0.760 329 G HN 0.830 nan 8.290 nan 0.000 0.557 330 D N -0.943 119.654 120.400 0.327 0.000 2.349 330 D HA 0.232 4.872 4.640 0.001 0.000 0.224 330 D C 1.712 178.212 176.300 0.334 0.000 1.029 330 D CA 0.834 54.993 54.000 0.266 0.000 0.879 330 D CB -0.445 40.456 40.800 0.169 0.000 0.906 330 D HN 0.541 nan 8.370 nan 0.000 0.528 331 G N -0.253 108.829 108.800 0.470 0.000 2.179 331 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 331 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 331 G C 0.411 175.497 174.900 0.310 0.000 0.990 331 G CA 0.276 45.610 45.100 0.390 0.000 0.646 331 G HN 0.791 nan 8.290 nan 0.000 0.517 332 T N -0.773 113.919 114.554 0.231 0.000 2.922 332 T HA 0.727 5.077 4.350 0.001 0.000 0.285 332 T C 0.310 175.080 174.700 0.117 0.000 1.005 332 T CA -0.746 61.469 62.100 0.192 0.000 1.061 332 T CB 2.163 71.089 68.868 0.096 0.000 1.007 332 T HN 0.430 nan 8.240 nan 0.000 0.502 333 I N 3.661 124.295 120.570 0.106 0.000 2.312 333 I HA 0.291 4.461 4.170 0.001 0.000 0.291 333 I C -2.076 174.016 176.117 -0.042 0.000 1.031 333 I CA -2.555 58.730 61.300 -0.025 0.000 1.293 333 I CB 1.126 39.080 38.000 -0.076 0.000 1.403 333 I HN 0.493 nan 8.210 nan 0.000 0.484 334 P HA -0.066 nan 4.420 nan 0.000 0.263 334 P C 0.149 177.449 177.300 0.001 0.000 1.175 334 P CA 0.096 63.164 63.100 -0.053 0.000 0.761 334 P CB 0.543 32.227 31.700 -0.027 0.000 0.794 335 D N 1.830 122.240 120.400 0.015 0.000 2.158 335 D HA -0.151 4.489 4.640 0.001 0.000 0.197 335 D C 1.871 178.185 176.300 0.022 0.000 0.995 335 D CA 1.315 55.326 54.000 0.019 0.000 0.846 335 D CB -0.204 40.610 40.800 0.023 0.000 0.941 335 D HN 0.376 nan 8.370 nan 0.000 0.456 336 L N 0.365 121.609 121.223 0.035 0.000 2.127 336 L HA -0.228 4.112 4.340 0.001 0.000 0.211 336 L C 2.402 179.284 176.870 0.020 0.000 1.089 336 L CA 1.239 56.097 54.840 0.031 0.000 0.757 336 L CB -0.157 41.931 42.059 0.048 0.000 0.899 336 L HN 0.084 nan 8.230 nan 0.000 0.434 337 Q N -0.949 118.863 119.800 0.021 0.000 2.204 337 Q HA -0.152 4.188 4.340 0.001 0.000 0.198 337 Q C 2.094 178.099 176.000 0.008 0.000 0.946 337 Q CA 0.601 56.409 55.803 0.008 0.000 0.859 337 Q CB 0.095 28.835 28.738 0.004 0.000 0.946 337 Q HN 0.317 nan 8.270 nan 0.000 0.474 338 K N 1.359 121.764 120.400 0.007 0.000 2.097 338 K HA -0.185 4.135 4.320 0.001 0.000 0.206 338 K C 1.600 178.209 176.600 0.016 0.000 1.049 338 K CA 1.219 57.512 56.287 0.010 0.000 0.933 338 K CB 0.198 32.700 32.500 0.003 0.000 0.717 338 K HN 0.158 nan 8.250 nan 0.000 0.442 339 E N -0.202 120.005 120.200 0.012 0.000 2.106 339 E HA -0.134 4.217 4.350 0.001 0.000 0.192 339 E C 2.067 178.671 176.600 0.007 0.000 0.984 339 E CA 0.937 57.343 56.400 0.010 0.000 0.806 339 E CB 0.161 29.865 29.700 0.006 0.000 0.750 339 E HN 0.236 nan 8.360 nan 0.000 0.458 340 R N 0.260 120.760 120.500 0.000 0.000 2.090 340 R HA -0.042 4.298 4.340 0.001 0.000 0.228 340 R C 2.433 178.733 176.300 0.000 0.000 1.110 340 R CA 0.711 56.802 56.100 -0.014 0.000 0.973 340 R CB -0.252 30.031 30.300 -0.028 0.000 0.869 340 R HN 0.159 nan 8.270 nan 0.000 0.440 341 L N 0.753 121.995 121.223 0.032 0.000 2.042 341 L HA -0.224 4.117 4.340 0.001 0.000 0.210 341 L C 2.366 179.287 176.870 0.086 0.000 1.076 341 L CA 1.337 56.228 54.840 0.084 0.000 0.749 341 L CB -0.464 41.666 42.059 0.118 0.000 0.893 341 L HN 0.204 nan 8.230 nan 0.000 0.432 342 L N -0.739 120.520 121.223 0.061 0.000 2.046 342 L HA -0.143 4.197 4.340 0.001 0.000 0.208 342 L C 2.703 179.605 176.870 0.054 0.000 1.077 342 L CA 1.382 56.256 54.840 0.057 0.000 0.747 342 L CB -1.239 40.842 42.059 0.037 0.000 0.896 342 L HN 0.328 nan 8.230 nan 0.000 0.432 343 G N 0.360 109.180 108.800 0.033 0.000 2.514 343 G HA2 -0.322 3.639 3.960 0.001 0.000 0.217 343 G HA3 -0.322 3.639 3.960 0.001 0.000 0.217 343 G C 1.547 176.482 174.900 0.060 0.000 1.198 343 G CA 1.012 46.131 45.100 0.031 0.000 0.780 343 G HN 0.212 nan 8.290 nan 0.000 0.565 344 L N 1.734 122.966 121.223 0.015 0.000 2.012 344 L HA 0.065 4.406 4.340 0.001 0.000 0.210 344 L C 2.896 179.829 176.870 0.104 0.000 1.073 344 L CA 2.538 57.377 54.840 -0.002 0.000 0.748 344 L CB -1.143 40.837 42.059 -0.131 0.000 0.891 344 L HN 0.208 nan 8.230 nan 0.000 0.431 345 G N -1.178 107.689 108.800 0.112 0.000 2.476 345 G HA2 -0.321 3.639 3.960 0.001 0.000 0.218 345 G HA3 -0.321 3.639 3.960 0.001 0.000 0.218 345 G C 1.435 176.418 174.900 0.138 0.000 1.164 345 G CA 1.043 46.233 45.100 0.151 0.000 0.768 345 G HN 0.560 nan 8.290 nan 0.000 0.560 346 E N -0.874 119.395 120.200 0.116 0.000 2.051 346 E HA -0.159 4.192 4.350 0.001 0.000 0.192 346 E C 2.046 178.699 176.600 0.089 0.000 0.991 346 E CA 0.952 57.402 56.400 0.083 0.000 0.799 346 E CB -0.277 29.466 29.700 0.071 0.000 0.748 346 E HN 0.637 nan 8.360 nan 0.000 0.449 347 W N 1.211 122.516 121.300 0.007 0.000 2.342 347 W HA -0.170 4.491 4.660 0.001 0.000 0.297 347 W C 1.688 178.251 176.519 0.073 0.000 1.213 347 W CA 1.255 58.636 57.345 0.060 0.000 1.251 347 W CB -0.118 29.372 29.460 0.050 0.000 1.136 347 W HN 0.002 nan 8.180 nan 0.000 0.526 348 L N 0.207 121.552 121.223 0.204 0.000 2.217 348 L HA -0.106 4.234 4.340 0.001 0.000 0.211 348 L C 2.782 179.657 176.870 0.008 0.000 1.107 348 L CA 1.239 56.131 54.840 0.088 0.000 0.783 348 L CB -0.660 41.526 42.059 0.211 0.000 0.919 348 L HN -0.066 nan 8.230 nan 0.000 0.442 349 R N -0.043 120.449 120.500 -0.014 0.000 2.090 349 R HA -0.144 4.197 4.340 0.001 0.000 0.228 349 R C 2.152 178.358 176.300 -0.156 0.000 1.110 349 R CA 1.268 57.347 56.100 -0.035 0.000 0.973 349 R CB 0.131 30.415 30.300 -0.025 0.000 0.869 349 R HN 0.245 nan 8.270 nan 0.000 0.440 350 K N -0.911 119.291 120.400 -0.330 0.000 1.991 350 K HA -0.102 4.219 4.320 0.001 0.000 0.207 350 K C 1.610 177.889 176.600 -0.535 0.000 1.045 350 K CA 1.465 57.426 56.287 -0.542 0.000 0.937 350 K CB -0.053 31.911 32.500 -0.892 0.000 0.720 350 K HN 0.174 nan 8.250 nan 0.000 0.438 351 Y N -0.028 119.980 120.300 -0.486 0.000 2.482 351 Y HA 0.194 4.745 4.550 0.001 0.000 0.270 351 Y C 2.087 177.698 175.900 -0.481 0.000 1.152 351 Y CA 0.069 57.823 58.100 -0.576 0.000 1.292 351 Y CB -0.604 37.039 38.460 -1.361 0.000 1.070 351 Y HN 0.121 nan 8.280 nan 0.000 0.528 352 G N 0.478 109.173 108.800 -0.174 0.000 2.606 352 G HA2 -0.416 3.544 3.960 0.001 0.000 0.223 352 G HA3 -0.416 3.544 3.960 0.001 0.000 0.223 352 G C 1.373 176.282 174.900 0.016 0.000 1.106 352 G CA 1.772 46.852 45.100 -0.033 0.000 0.745 352 G HN 0.391 nan 8.290 nan 0.000 0.597 353 D N 0.325 120.742 120.400 0.029 0.000 2.312 353 D HA 0.181 4.822 4.640 0.001 0.000 0.211 353 D C 2.323 178.339 176.300 -0.473 0.000 0.964 353 D CA 0.941 54.934 54.000 -0.012 0.000 0.877 353 D CB -0.268 40.631 40.800 0.166 0.000 0.924 353 D HN 0.285 nan 8.370 nan 0.000 0.515 354 A N -0.505 121.798 122.820 -0.863 0.000 2.345 354 A HA 0.211 4.531 4.320 0.001 0.000 0.225 354 A C 1.326 178.501 177.584 -0.681 0.000 1.243 354 A CA 0.010 51.118 52.037 -1.549 0.000 0.875 354 A CB 0.025 18.114 19.000 -1.518 0.000 0.929 354 A HN 0.199 nan 8.150 nan 0.000 0.502 355 I N -2.457 117.862 120.570 -0.419 0.000 3.669 355 I HA 0.167 4.337 4.170 0.001 0.000 0.255 355 I C 0.209 176.227 176.117 -0.165 0.000 1.144 355 I CA -0.221 60.905 61.300 -0.289 0.000 1.447 355 I CB -1.370 36.403 38.000 -0.380 0.000 1.622 355 I HN 0.254 nan 8.210 nan 0.000 0.435 356 Y N 2.072 122.347 120.300 -0.042 0.000 2.610 356 Y HA 0.346 4.897 4.550 0.001 0.000 0.332 356 Y C 1.682 177.587 175.900 0.007 0.000 1.201 356 Y CA 0.987 59.089 58.100 0.004 0.000 1.465 356 Y CB 0.017 38.494 38.460 0.029 0.000 1.283 356 Y HN 0.511 nan 8.280 nan 0.000 0.563 357 G N 1.221 110.138 108.800 0.194 0.000 2.168 357 G HA2 -0.330 3.630 3.960 0.001 0.000 0.263 357 G HA3 -0.330 3.630 3.960 0.001 0.000 0.263 357 G C 0.260 175.230 174.900 0.116 0.000 0.977 357 G CA 0.405 45.587 45.100 0.137 0.000 0.659 357 G HN 0.919 nan 8.290 nan 0.000 0.533 358 T N -2.082 112.530 114.554 0.096 0.000 2.824 358 T HA 0.742 5.092 4.350 0.001 0.000 0.277 358 T C 0.337 175.098 174.700 0.102 0.000 0.975 358 T CA 0.397 62.567 62.100 0.117 0.000 0.966 358 T CB 2.096 71.025 68.868 0.102 0.000 1.054 358 T HN 0.506 nan 8.240 nan 0.000 0.533 359 S N -0.476 115.300 115.700 0.127 0.000 2.671 359 S HA 0.667 5.137 4.470 0.001 0.000 0.299 359 S C 0.006 174.696 174.600 0.150 0.000 1.116 359 S CA -0.660 57.610 58.200 0.118 0.000 0.912 359 S CB 1.582 64.853 63.200 0.119 0.000 1.130 359 S HN 1.059 nan 8.310 nan 0.000 0.501 360 V N 0.360 120.360 119.914 0.143 0.000 3.003 360 V HA 0.584 4.704 4.120 0.001 0.000 0.305 360 V C -0.222 176.021 176.094 0.249 0.000 1.078 360 V CA -0.273 62.134 62.300 0.179 0.000 1.083 360 V CB 0.529 32.430 31.823 0.130 0.000 1.039 360 V HN 0.876 nan 8.190 nan 0.000 0.481 361 W N 1.595 122.931 121.300 0.060 0.000 2.615 361 W HA 0.498 5.159 4.660 0.001 0.000 0.423 361 W C 1.517 178.026 176.519 -0.017 0.000 1.666 361 W CA -0.502 56.851 57.345 0.015 0.000 1.717 361 W CB 1.093 30.557 29.460 0.006 0.000 1.696 361 W HN 0.716 nan 8.180 nan 0.000 0.701 362 E N 0.821 120.477 120.200 -0.906 0.000 2.160 362 E HA -0.159 4.191 4.350 0.001 0.000 0.195 362 E C 0.178 176.493 176.600 -0.475 0.000 0.991 362 E CA 1.348 57.287 56.400 -0.769 0.000 0.810 362 E CB -0.052 28.955 29.700 -1.155 0.000 0.742 362 E HN 0.379 nan 8.360 nan 0.000 0.466 363 R N -0.977 119.275 120.500 -0.413 0.000 2.739 363 R HA 0.391 4.732 4.340 0.001 0.000 0.271 363 R C 0.892 177.322 176.300 0.216 0.000 1.010 363 R CA -0.243 55.790 56.100 -0.112 0.000 0.897 363 R CB 0.607 30.796 30.300 -0.185 0.000 1.236 363 R HN 0.039 nan 8.270 nan 0.000 0.466 364 C N -2.063 117.381 119.300 0.241 0.000 2.674 364 C HA 0.529 4.990 4.460 0.001 0.000 0.276 364 C C 0.448 175.638 174.990 0.333 0.000 1.300 364 C CA -0.154 59.044 59.018 0.299 0.000 1.732 364 C CB -0.844 26.989 27.740 0.154 0.000 2.076 364 C HN 0.634 nan 8.230 nan 0.000 0.548 365 C N 0.747 120.246 119.300 0.332 0.000 3.171 365 C HA 0.957 5.418 4.460 0.001 0.000 0.308 365 C C 0.164 175.329 174.990 0.292 0.000 1.334 365 C CA 0.338 59.483 59.018 0.210 0.000 1.473 365 C CB 1.003 28.788 27.740 0.075 0.000 1.866 365 C HN 0.948 nan 8.230 nan 0.000 0.465 366 A N 1.092 123.985 122.820 0.121 0.000 2.438 366 A HA 0.965 5.285 4.320 0.001 0.000 0.301 366 A C -1.891 175.675 177.584 -0.030 0.000 1.101 366 A CA -0.601 51.502 52.037 0.111 0.000 0.621 366 A CB 1.302 20.475 19.000 0.287 0.000 1.350 366 A HN 1.136 nan 8.150 nan 0.000 0.496 367 K N -0.756 119.636 120.400 -0.014 0.000 2.568 367 K HA 0.670 4.990 4.320 0.001 0.000 0.273 367 K C -0.464 176.140 176.600 0.006 0.000 0.951 367 K CA -0.062 56.200 56.287 -0.041 0.000 0.854 367 K CB 1.364 33.845 32.500 -0.031 0.000 1.424 367 K HN 1.150 nan 8.250 nan 0.000 0.427 368 T N -1.602 112.968 114.554 0.026 0.000 2.828 368 T HA 0.115 4.466 4.350 0.001 0.000 0.290 368 T C 1.057 175.788 174.700 0.052 0.000 1.019 368 T CA -0.239 61.906 62.100 0.075 0.000 1.031 368 T CB 1.155 70.095 68.868 0.120 0.000 1.001 368 T HN 0.781 nan 8.240 nan 0.000 0.531 369 E N 0.640 120.874 120.200 0.057 0.000 2.130 369 E HA -0.185 4.166 4.350 0.001 0.000 0.196 369 E C 1.326 177.946 176.600 0.032 0.000 0.998 369 E CA 1.569 57.994 56.400 0.042 0.000 0.806 369 E CB -0.034 29.692 29.700 0.044 0.000 0.738 369 E HN 0.846 nan 8.360 nan 0.000 0.459 370 D N -1.693 118.729 120.400 0.037 0.000 2.434 370 D HA 0.043 4.683 4.640 0.001 0.000 0.232 370 D C 0.852 177.163 176.300 0.020 0.000 1.166 370 D CA 0.556 54.572 54.000 0.027 0.000 0.830 370 D CB 0.549 41.367 40.800 0.030 0.000 0.960 370 D HN 0.275 nan 8.370 nan 0.000 0.497 371 G N 0.826 109.635 108.800 0.014 0.000 2.162 371 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 371 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 371 G C 0.365 175.255 174.900 -0.017 0.000 0.976 371 G CA 0.454 45.552 45.100 -0.003 0.000 0.655 371 G HN 0.439 nan 8.290 nan 0.000 0.533 372 T N 1.862 116.417 114.554 0.001 0.000 2.832 372 T HA 0.481 4.831 4.350 0.001 0.000 0.296 372 T C 0.215 174.875 174.700 -0.067 0.000 0.968 372 T CA -0.307 61.784 62.100 -0.016 0.000 1.107 372 T CB 1.721 70.632 68.868 0.072 0.000 0.916 372 T HN 0.254 nan 8.240 nan 0.000 0.517 373 E N 2.296 122.412 120.200 -0.140 0.000 2.343 373 E HA 0.425 4.775 4.350 0.001 0.000 0.269 373 E C -0.107 176.318 176.600 -0.291 0.000 1.047 373 E CA -0.240 56.047 56.400 -0.188 0.000 0.874 373 E CB 1.396 30.982 29.700 -0.190 0.000 1.033 373 E HN 0.519 nan 8.360 nan 0.000 0.409 374 I N 2.008 122.364 120.570 -0.357 0.000 2.689 374 I HA 0.420 4.590 4.170 0.001 0.000 0.299 374 I C 0.078 175.846 176.117 -0.582 0.000 1.059 374 I CA -0.943 59.994 61.300 -0.605 0.000 1.055 374 I CB 1.672 39.182 38.000 -0.817 0.000 1.243 374 I HN 0.059 nan 8.210 nan 0.000 0.425 375 R N 3.665 123.744 120.500 -0.703 0.000 2.795 375 R HA 0.665 5.005 4.340 0.001 0.000 0.275 375 R C -1.588 174.267 176.300 -0.743 0.000 0.981 375 R CA -0.844 54.948 56.100 -0.513 0.000 0.917 375 R CB 2.231 32.377 30.300 -0.257 0.000 1.202 375 R HN 0.371 nan 8.270 nan 0.000 0.469 376 F N -0.448 119.513 119.950 0.018 0.000 2.579 376 F HA 0.636 5.164 4.527 0.001 0.000 0.324 376 F C 0.691 176.539 175.800 0.080 0.000 1.058 376 F CA -0.583 57.435 58.000 0.031 0.000 0.944 376 F CB 2.321 41.403 39.000 0.138 0.000 1.245 376 F HN 0.510 nan 8.300 nan 0.000 0.477 377 T N -0.996 113.719 114.554 0.268 0.000 2.868 377 T HA 0.658 5.009 4.350 0.001 0.000 0.306 377 T C -1.265 173.590 174.700 0.258 0.000 1.224 377 T CA -1.018 61.229 62.100 0.246 0.000 1.012 377 T CB 2.437 71.403 68.868 0.163 0.000 1.221 377 T HN 0.811 nan 8.240 nan 0.000 0.499 378 R N 0.193 120.838 120.500 0.241 0.000 2.854 378 R HA 0.766 5.107 4.340 0.001 0.000 0.271 378 R C -1.452 174.977 176.300 0.215 0.000 0.996 378 R CA -0.950 55.251 56.100 0.168 0.000 0.961 378 R CB 1.617 32.025 30.300 0.180 0.000 1.182 378 R HN 0.778 nan 8.270 nan 0.000 0.479 379 K N 2.888 123.378 120.400 0.150 0.000 2.762 379 K HA 0.236 4.556 4.320 0.001 0.000 0.272 379 K C -0.626 176.020 176.600 0.078 0.000 1.093 379 K CA -0.542 55.854 56.287 0.181 0.000 1.048 379 K CB 0.532 33.246 32.500 0.357 0.000 1.304 379 K HN 0.861 nan 8.250 nan 0.000 0.511 380 C N 1.586 120.931 119.300 0.074 0.000 0.444 380 C HA -0.355 4.106 4.460 0.001 0.000 0.029 380 C C 1.689 176.691 174.990 0.020 0.000 0.241 380 C CA 1.815 60.862 59.018 0.048 0.000 0.521 380 C CB -1.474 26.293 27.740 0.044 0.000 3.212 380 C HN 1.062 nan 8.230 nan 0.000 1.115 381 N N 1.502 120.197 118.700 -0.008 0.000 2.353 381 N HA 0.117 4.858 4.740 0.001 0.000 0.185 381 N C 0.203 175.641 175.510 -0.120 0.000 1.098 381 N CA 0.431 53.461 53.050 -0.034 0.000 0.872 381 N CB -0.209 38.267 38.487 -0.018 0.000 0.970 381 N HN 0.670 nan 8.380 nan 0.000 0.467 382 R N 0.701 121.100 120.500 -0.168 0.000 2.389 382 R HA 0.356 4.696 4.340 0.001 0.000 0.295 382 R C -0.410 175.572 176.300 -0.530 0.000 1.075 382 R CA -0.118 55.762 56.100 -0.367 0.000 1.005 382 R CB 0.993 31.051 30.300 -0.404 0.000 0.987 382 R HN 0.163 nan 8.270 nan 0.000 0.452 383 I N 4.365 124.546 120.570 -0.649 0.000 2.420 383 I HA 0.215 4.385 4.170 0.001 0.000 0.282 383 I C -0.618 175.124 176.117 -0.624 0.000 1.019 383 I CA -0.602 60.301 61.300 -0.661 0.000 1.130 383 I CB 0.914 38.441 38.000 -0.788 0.000 1.262 383 I HN 0.412 nan 8.210 nan 0.000 0.454 384 F N 5.700 125.556 119.950 -0.157 0.000 2.467 384 F HA 0.265 4.793 4.527 0.001 0.000 0.362 384 F C 0.424 176.141 175.800 -0.138 0.000 1.090 384 F CA -0.538 57.370 58.000 -0.153 0.000 1.202 384 F CB 0.865 39.748 39.000 -0.194 0.000 1.113 384 F HN 0.059 nan 8.300 nan 0.000 0.541 385 V N 5.990 125.909 119.914 0.009 0.000 2.313 385 V HA 0.356 4.476 4.120 0.001 0.000 0.278 385 V C -0.041 175.963 176.094 -0.149 0.000 1.017 385 V CA -0.623 61.590 62.300 -0.145 0.000 0.823 385 V CB 0.972 32.779 31.823 -0.026 0.000 1.010 385 V HN 0.533 nan 8.190 nan 0.000 0.443 386 I N 5.310 125.687 120.570 -0.323 0.000 2.355 386 I HA 0.450 4.621 4.170 0.001 0.000 0.288 386 I C -0.636 175.323 176.117 -0.264 0.000 0.999 386 I CA -0.276 60.912 61.300 -0.188 0.000 1.163 386 I CB 1.289 39.183 38.000 -0.176 0.000 1.316 386 I HN 0.354 nan 8.210 nan 0.000 0.454 387 F N 5.977 125.808 119.950 -0.198 0.000 2.410 387 F HA 0.316 4.843 4.527 0.001 0.000 0.348 387 F C 0.596 176.273 175.800 -0.205 0.000 1.106 387 F CA -0.557 57.333 58.000 -0.184 0.000 1.163 387 F CB 0.838 39.770 39.000 -0.113 0.000 1.129 387 F HN 0.260 nan 8.300 nan 0.000 0.516 388 L N 4.441 125.553 121.223 -0.185 0.000 2.480 388 L HA 0.485 4.826 4.340 0.001 0.000 0.243 388 L C 0.604 177.192 176.870 -0.470 0.000 1.315 388 L CA -0.187 54.334 54.840 -0.531 0.000 1.231 388 L CB -1.202 40.367 42.059 -0.817 0.000 1.444 388 L HN 0.903 nan 8.230 nan 0.000 0.409 389 G N 1.323 110.108 108.800 -0.024 0.000 2.369 389 G HA2 0.102 4.063 3.960 0.001 0.000 0.295 389 G HA3 0.102 4.063 3.960 0.001 0.000 0.295 389 G C -1.287 173.674 174.900 0.102 0.000 1.298 389 G CA -0.961 44.206 45.100 0.112 0.000 0.940 389 G HN 0.071 nan 8.290 nan 0.000 0.536 390 I N 1.310 121.926 120.570 0.076 0.000 2.411 390 I HA 0.316 4.486 4.170 0.001 0.000 0.284 390 I C -2.321 173.791 176.117 -0.008 0.000 1.012 390 I CA -1.687 59.628 61.300 0.024 0.000 1.119 390 I CB 1.622 39.652 38.000 0.050 0.000 1.261 390 I HN 0.159 nan 8.210 nan 0.000 0.448 391 P HA 0.045 nan 4.420 nan 0.000 0.263 391 P C 1.173 178.450 177.300 -0.038 0.000 1.195 391 P CA 0.073 63.142 63.100 -0.052 0.000 0.762 391 P CB 0.661 32.288 31.700 -0.123 0.000 0.799 392 T N 0.151 114.697 114.554 -0.012 0.000 2.812 392 T HA 0.005 4.355 4.350 0.001 0.000 0.264 392 T C 1.141 175.834 174.700 -0.011 0.000 1.042 392 T CA 0.705 62.801 62.100 -0.007 0.000 1.140 392 T CB -0.897 67.972 68.868 0.003 0.000 0.870 392 T HN 0.443 nan 8.240 nan 0.000 0.445 393 G N 0.449 109.244 108.800 -0.009 0.000 2.569 393 G HA2 0.330 4.291 3.960 0.001 0.000 0.249 393 G HA3 0.330 4.291 3.960 0.001 0.000 0.249 393 G C 0.350 175.240 174.900 -0.016 0.000 1.216 393 G CA -0.547 44.549 45.100 -0.007 0.000 0.845 393 G HN 0.486 nan 8.290 nan 0.000 0.568 394 E N -0.235 119.958 120.200 -0.010 0.000 2.371 394 E HA -0.009 4.342 4.350 0.001 0.000 0.194 394 E C 0.886 177.486 176.600 -0.001 0.000 1.012 394 E CA 0.288 56.680 56.400 -0.014 0.000 0.860 394 E CB 0.328 30.022 29.700 -0.010 0.000 0.811 394 E HN 0.364 nan 8.360 nan 0.000 0.502 395 K N 1.599 122.004 120.400 0.010 0.000 2.201 395 K HA 0.355 4.675 4.320 0.001 0.000 0.278 395 K C -0.942 175.678 176.600 0.033 0.000 1.027 395 K CA -0.179 56.124 56.287 0.027 0.000 0.909 395 K CB 0.759 33.277 32.500 0.029 0.000 1.062 395 K HN -0.076 nan 8.250 nan 0.000 0.465 396 I N 4.480 125.083 120.570 0.056 0.000 2.478 396 I HA 0.176 4.346 4.170 0.001 0.000 0.287 396 I C -1.016 175.173 176.117 0.119 0.000 1.042 396 I CA -0.989 60.362 61.300 0.086 0.000 1.067 396 I CB 2.153 40.199 38.000 0.076 0.000 1.233 396 I HN 0.280 nan 8.210 nan 0.000 0.431 397 V N 7.882 127.864 119.914 0.114 0.000 2.313 397 V HA 0.409 4.530 4.120 0.001 0.000 0.278 397 V C 0.175 176.341 176.094 0.120 0.000 1.017 397 V CA -0.361 62.004 62.300 0.109 0.000 0.823 397 V CB 1.387 33.256 31.823 0.077 0.000 1.010 397 V HN 0.453 nan 8.190 nan 0.000 0.443 398 I N 5.415 126.068 120.570 0.138 0.000 2.342 398 I HA 0.355 4.526 4.170 0.001 0.000 0.291 398 I C 0.564 176.743 176.117 0.103 0.000 1.010 398 I CA -0.368 61.006 61.300 0.124 0.000 1.308 398 I CB 1.130 39.218 38.000 0.146 0.000 1.400 398 I HN 0.636 nan 8.210 nan 0.000 0.488 399 E N 5.029 125.277 120.200 0.081 0.000 2.283 399 E HA 0.227 4.578 4.350 0.001 0.000 0.271 399 E C -0.775 175.865 176.600 0.066 0.000 1.031 399 E CA -0.753 55.687 56.400 0.066 0.000 0.868 399 E CB 0.645 30.374 29.700 0.048 0.000 1.094 399 E HN 0.495 nan 8.360 nan 0.000 0.401 400 D N 0.171 120.603 120.400 0.052 0.000 2.708 400 D HA -0.185 4.455 4.640 0.001 0.000 0.236 400 D C -1.024 175.305 176.300 0.049 0.000 1.146 400 D CA 0.821 54.846 54.000 0.040 0.000 0.662 400 D CB -1.043 39.775 40.800 0.030 0.000 1.059 400 D HN 0.232 nan 8.370 nan 0.000 0.428 401 L N 0.123 121.387 121.223 0.069 0.000 2.505 401 L HA 0.462 4.802 4.340 0.001 0.000 0.266 401 L C -1.227 175.702 176.870 0.099 0.000 0.954 401 L CA -0.407 54.485 54.840 0.087 0.000 0.852 401 L CB 1.853 43.990 42.059 0.132 0.000 1.282 401 L HN 0.006 nan 8.230 nan 0.000 0.403 402 N N 4.769 123.526 118.700 0.095 0.000 2.240 402 N HA 0.716 5.456 4.740 0.001 0.000 0.302 402 N C -1.635 173.959 175.510 0.141 0.000 1.106 402 N CA -0.712 52.404 53.050 0.110 0.000 0.778 402 N CB 2.380 40.911 38.487 0.073 0.000 1.431 402 N HN 0.462 nan 8.380 nan 0.000 0.479 403 L N 0.621 121.954 121.223 0.183 0.000 2.323 403 L HA 0.425 4.766 4.340 0.001 0.000 0.265 403 L C 0.662 177.646 176.870 0.190 0.000 1.012 403 L CA -0.437 54.519 54.840 0.193 0.000 0.820 403 L CB 2.082 44.257 42.059 0.194 0.000 1.334 403 L HN 0.621 nan 8.230 nan 0.000 0.427 404 S N -0.967 114.826 115.700 0.155 0.000 2.663 404 S HA 0.266 4.736 4.470 0.001 0.000 0.243 404 S C 0.799 175.476 174.600 0.128 0.000 1.009 404 S CA 0.127 58.401 58.200 0.124 0.000 0.988 404 S CB 0.843 64.096 63.200 0.088 0.000 0.896 404 S HN 0.660 nan 8.310 nan 0.000 0.502 405 A N 2.199 125.117 122.820 0.164 0.000 1.835 405 A HA 0.570 4.891 4.320 0.001 0.000 0.213 405 A C 2.041 179.740 177.584 0.192 0.000 1.210 405 A CA 1.325 53.438 52.037 0.127 0.000 0.605 405 A CB -1.238 17.778 19.000 0.027 0.000 0.860 405 A HN 1.530 nan 8.150 nan 0.000 0.447 406 G N -2.702 106.347 108.800 0.415 0.000 2.284 406 G HA2 -0.128 3.832 3.960 0.001 0.000 0.216 406 G HA3 -0.128 3.832 3.960 0.001 0.000 0.216 406 G C 0.517 175.673 174.900 0.427 0.000 1.009 406 G CA 0.877 46.189 45.100 0.353 0.000 0.625 406 G HN 1.474 nan 8.290 nan 0.000 0.501 407 T N -0.028 114.677 114.554 0.252 0.000 2.879 407 T HA 0.602 4.952 4.350 0.001 0.000 0.290 407 T C -1.238 173.406 174.700 -0.092 0.000 0.993 407 T CA -0.045 62.136 62.100 0.134 0.000 0.975 407 T CB 1.846 70.758 68.868 0.074 0.000 0.981 407 T HN 0.801 nan 8.240 nan 0.000 0.439 408 V N 6.875 126.695 119.914 -0.157 0.000 2.439 408 V HA 0.456 4.577 4.120 0.001 0.000 0.277 408 V C 0.114 176.163 176.094 -0.075 0.000 1.008 408 V CA -0.864 61.275 62.300 -0.267 0.000 0.846 408 V CB 1.155 32.608 31.823 -0.618 0.000 1.031 408 V HN 0.826 nan 8.190 nan 0.000 0.441 409 R N 2.112 122.600 120.500 -0.021 0.000 2.500 409 R HA 0.401 4.741 4.340 0.001 0.000 0.275 409 R C 0.090 176.459 176.300 0.116 0.000 1.051 409 R CA -0.715 55.417 56.100 0.054 0.000 1.088 409 R CB 0.999 31.327 30.300 0.047 0.000 1.063 409 R HN 0.720 nan 8.270 nan 0.000 0.511 410 H N 4.226 123.329 119.070 0.054 0.000 2.846 410 H HA -0.026 4.530 4.556 0.001 0.000 0.278 410 H C 0.563 175.968 175.328 0.128 0.000 1.117 410 H CA -0.185 55.917 56.048 0.090 0.000 1.406 410 H CB 0.287 30.080 29.762 0.051 0.000 1.445 410 H HN 0.674 nan 8.280 nan 0.000 0.469 411 F N 4.670 124.465 119.950 -0.259 0.000 2.067 411 F HA -0.404 4.123 4.527 0.001 0.000 0.295 411 F C 1.767 177.518 175.800 -0.081 0.000 1.142 411 F CA 2.207 60.136 58.000 -0.118 0.000 1.230 411 F CB -0.226 38.758 39.000 -0.026 0.000 0.941 411 F HN 0.581 nan 8.300 nan 0.000 0.518 412 L N -0.517 120.523 121.223 -0.306 0.000 2.261 412 L HA -0.202 4.139 4.340 0.001 0.000 0.216 412 L C 2.279 179.057 176.870 -0.154 0.000 1.114 412 L CA 1.825 56.490 54.840 -0.292 0.000 0.777 412 L CB -0.841 41.185 42.059 -0.055 0.000 0.910 412 L HN 0.549 nan 8.230 nan 0.000 0.440 413 T N -5.751 108.829 114.554 0.045 0.000 3.018 413 T HA 0.242 4.592 4.350 0.001 0.000 0.246 413 T C 1.497 176.207 174.700 0.017 0.000 1.026 413 T CA 0.581 62.720 62.100 0.065 0.000 1.081 413 T CB 0.835 69.798 68.868 0.158 0.000 0.970 413 T HN 0.328 nan 8.240 nan 0.000 0.475 414 G N 1.630 110.452 108.800 0.037 0.000 2.157 414 G HA2 -0.221 3.739 3.960 0.001 0.000 0.248 414 G HA3 -0.221 3.739 3.960 0.001 0.000 0.248 414 G C -0.196 174.734 174.900 0.049 0.000 0.979 414 G CA 0.041 45.149 45.100 0.013 0.000 0.650 414 G HN 0.650 nan 8.290 nan 0.000 0.529 415 E N 0.984 121.234 120.200 0.085 0.000 2.161 415 E HA 0.245 4.596 4.350 0.001 0.000 0.263 415 E C 0.990 177.631 176.600 0.069 0.000 1.185 415 E CA -0.452 55.983 56.400 0.059 0.000 0.938 415 E CB 0.354 30.071 29.700 0.028 0.000 1.023 415 E HN 0.377 nan 8.360 nan 0.000 0.433 416 R N 2.909 123.441 120.500 0.053 0.000 2.478 416 R HA -0.081 4.259 4.340 0.001 0.000 0.281 416 R C -0.503 175.841 176.300 0.074 0.000 0.939 416 R CA 0.778 56.915 56.100 0.062 0.000 1.120 416 R CB 0.179 30.513 30.300 0.057 0.000 0.885 416 R HN 0.427 nan 8.270 nan 0.000 0.415 417 L N 2.271 123.550 121.223 0.093 0.000 2.323 417 L HA 0.442 4.782 4.340 0.001 0.000 0.265 417 L C -0.053 176.935 176.870 0.198 0.000 1.012 417 L CA -1.028 53.879 54.840 0.111 0.000 0.820 417 L CB 2.059 44.176 42.059 0.097 0.000 1.334 417 L HN 0.669 nan 8.230 nan 0.000 0.427 418 S N 1.527 117.340 115.700 0.187 0.000 2.525 418 S HA 0.769 5.240 4.470 0.001 0.000 0.278 418 S C -0.748 174.050 174.600 0.330 0.000 1.234 418 S CA -0.378 57.958 58.200 0.227 0.000 1.058 418 S CB 0.708 63.969 63.200 0.103 0.000 0.983 418 S HN 0.458 nan 8.310 nan 0.000 0.495 419 F N 0.377 120.348 119.950 0.034 0.000 2.741 419 F HA 0.877 5.404 4.527 0.001 0.000 0.313 419 F C -1.420 174.401 175.800 0.035 0.000 1.153 419 F CA -1.186 56.839 58.000 0.041 0.000 0.931 419 F CB 0.926 39.958 39.000 0.053 0.000 1.335 419 F HN 0.837 nan 8.300 nan 0.000 0.460 420 K N 0.331 120.660 120.400 -0.119 0.000 2.598 420 K HA 0.423 4.743 4.320 0.001 0.000 0.271 420 K C -2.186 174.408 176.600 -0.010 0.000 0.947 420 K CA -0.932 55.210 56.287 -0.242 0.000 0.854 420 K CB 1.468 33.869 32.500 -0.165 0.000 1.401 420 K HN 0.554 nan 8.250 nan 0.000 0.415 421 N N 2.059 120.752 118.700 -0.011 0.000 2.415 421 N HA 0.093 4.833 4.740 0.001 0.000 0.250 421 N C -0.326 175.200 175.510 0.026 0.000 1.127 421 N CA -0.272 52.809 53.050 0.052 0.000 0.945 421 N CB 1.228 39.748 38.487 0.055 0.000 1.196 421 N HN 0.411 nan 8.380 nan 0.000 0.499 422 V N 1.864 121.802 119.914 0.039 0.000 2.800 422 V HA 0.263 4.383 4.120 0.001 0.000 0.365 422 V C 1.440 177.552 176.094 0.029 0.000 1.527 422 V CA 0.168 62.484 62.300 0.028 0.000 1.623 422 V CB -1.165 30.679 31.823 0.035 0.000 1.407 422 V HN 0.938 nan 8.190 nan 0.000 0.527 423 G N 2.788 111.603 108.800 0.026 0.000 2.662 423 G HA2 -0.273 3.688 3.960 0.001 0.000 0.236 423 G HA3 -0.273 3.688 3.960 0.001 0.000 0.236 423 G C 0.787 175.705 174.900 0.030 0.000 1.212 423 G CA 0.192 45.306 45.100 0.023 0.000 0.968 423 G HN 0.661 nan 8.290 nan 0.000 0.576 424 K N 1.250 121.667 120.400 0.028 0.000 2.432 424 K HA 0.171 4.492 4.320 0.001 0.000 0.196 424 K C 0.707 177.333 176.600 0.043 0.000 1.038 424 K CA 1.282 57.587 56.287 0.030 0.000 0.986 424 K CB -0.072 32.441 32.500 0.023 0.000 0.782 424 K HN 0.379 nan 8.250 nan 0.000 0.485 425 N N 0.390 119.121 118.700 0.052 0.000 2.563 425 N HA 0.394 5.135 4.740 0.001 0.000 0.288 425 N C -1.587 173.979 175.510 0.093 0.000 1.246 425 N CA -0.808 52.285 53.050 0.071 0.000 0.946 425 N CB 1.137 39.664 38.487 0.067 0.000 1.213 425 N HN 0.069 nan 8.380 nan 0.000 0.578 426 L N -0.222 121.073 121.223 0.120 0.000 2.386 426 L HA 0.488 4.829 4.340 0.001 0.000 0.271 426 L C -1.067 175.902 176.870 0.165 0.000 0.993 426 L CA -0.282 54.656 54.840 0.164 0.000 0.819 426 L CB 1.552 43.725 42.059 0.189 0.000 1.294 426 L HN 0.489 nan 8.230 nan 0.000 0.414 427 E N 5.934 126.243 120.200 0.182 0.000 2.218 427 E HA 0.570 4.920 4.350 0.001 0.000 0.263 427 E C -1.250 175.473 176.600 0.205 0.000 0.879 427 E CA -0.416 56.080 56.400 0.160 0.000 0.762 427 E CB 2.198 31.963 29.700 0.108 0.000 1.166 427 E HN 0.497 nan 8.360 nan 0.000 0.415 428 I N 1.307 121.985 120.570 0.180 0.000 2.785 428 I HA 0.392 4.562 4.170 0.001 0.000 0.302 428 I C -0.354 175.829 176.117 0.110 0.000 1.069 428 I CA -0.907 60.499 61.300 0.178 0.000 1.045 428 I CB 2.462 40.557 38.000 0.157 0.000 1.236 428 I HN 0.330 nan 8.210 nan 0.000 0.429 429 T N 3.806 118.417 114.554 0.094 0.000 2.786 429 T HA 0.458 4.809 4.350 0.001 0.000 0.283 429 T C -0.362 174.356 174.700 0.030 0.000 0.992 429 T CA -0.532 61.599 62.100 0.051 0.000 0.954 429 T CB 1.613 70.508 68.868 0.045 0.000 0.934 429 T HN 0.233 nan 8.240 nan 0.000 0.440 430 V N 5.388 125.301 119.914 -0.002 0.000 2.313 430 V HA 0.318 4.438 4.120 0.001 0.000 0.278 430 V C -2.406 173.656 176.094 -0.055 0.000 1.017 430 V CA -2.436 59.844 62.300 -0.032 0.000 0.823 430 V CB 0.770 32.560 31.823 -0.055 0.000 1.010 430 V HN 0.656 nan 8.190 nan 0.000 0.443 431 P HA 0.069 nan 4.420 nan 0.000 0.261 431 P C 0.802 178.051 177.300 -0.085 0.000 1.203 431 P CA -0.048 63.013 63.100 -0.066 0.000 0.767 431 P CB 0.609 32.267 31.700 -0.070 0.000 0.785 432 K N 5.360 125.726 120.400 -0.057 0.000 2.242 432 K HA -0.268 4.053 4.320 0.001 0.000 0.206 432 K C 1.726 178.291 176.600 -0.059 0.000 1.045 432 K CA 2.114 58.372 56.287 -0.049 0.000 0.930 432 K CB -0.149 32.334 32.500 -0.030 0.000 0.726 432 K HN 0.431 nan 8.250 nan 0.000 0.462 433 K N 0.063 120.423 120.400 -0.068 0.000 2.063 433 K HA -0.183 4.137 4.320 0.001 0.000 0.208 433 K C 1.879 178.418 176.600 -0.103 0.000 1.048 433 K CA 1.804 58.051 56.287 -0.068 0.000 0.928 433 K CB -0.390 32.072 32.500 -0.063 0.000 0.713 433 K HN 0.148 nan 8.250 nan 0.000 0.442 434 L N 0.968 122.076 121.223 -0.191 0.000 2.044 434 L HA -0.065 4.276 4.340 0.001 0.000 0.205 434 L C 2.641 179.388 176.870 -0.206 0.000 1.075 434 L CA 0.831 55.438 54.840 -0.388 0.000 0.747 434 L CB -0.518 41.066 42.059 -0.791 0.000 0.903 434 L HN 0.184 nan 8.230 nan 0.000 0.435 435 L N -0.159 120.996 121.223 -0.114 0.000 2.081 435 L HA -0.248 4.093 4.340 0.001 0.000 0.212 435 L C 2.315 179.206 176.870 0.036 0.000 1.080 435 L CA 1.334 56.171 54.840 -0.006 0.000 0.754 435 L CB -0.436 41.605 42.059 -0.031 0.000 0.893 435 L HN 0.280 nan 8.230 nan 0.000 0.433 436 E N -1.034 119.172 120.200 0.009 0.000 2.358 436 E HA -0.147 4.204 4.350 0.001 0.000 0.195 436 E C 2.035 178.667 176.600 0.054 0.000 1.010 436 E CA 0.734 57.152 56.400 0.029 0.000 0.856 436 E CB 0.126 29.832 29.700 0.010 0.000 0.795 436 E HN 0.165 nan 8.360 nan 0.000 0.504 437 T N 0.346 114.938 114.554 0.064 0.000 2.995 437 T HA -0.066 4.284 4.350 0.001 0.000 0.269 437 T C 0.216 175.006 174.700 0.151 0.000 1.091 437 T CA 0.418 62.573 62.100 0.092 0.000 1.128 437 T CB -0.044 68.884 68.868 0.100 0.000 0.891 437 T HN 0.075 nan 8.240 nan 0.000 0.492 438 D N 0.512 121.045 120.400 0.222 0.000 2.313 438 D HA 0.178 4.818 4.640 0.001 0.000 0.247 438 D C 0.845 177.313 176.300 0.281 0.000 1.094 438 D CA -0.006 54.182 54.000 0.313 0.000 0.925 438 D CB 1.796 42.795 40.800 0.331 0.000 1.188 438 D HN 0.117 nan 8.370 nan 0.000 0.430 439 S N 0.841 116.789 115.700 0.414 0.000 2.370 439 S HA 0.085 4.556 4.470 0.001 0.000 0.214 439 S C 1.561 176.368 174.600 0.346 0.000 1.033 439 S CA 0.334 58.742 58.200 0.347 0.000 0.941 439 S CB 0.161 63.572 63.200 0.351 0.000 0.886 439 S HN 0.478 nan 8.310 nan 0.000 0.521 440 I N 0.915 121.774 120.570 0.481 0.000 4.403 440 I HA 0.200 4.370 4.170 0.001 0.000 0.331 440 I C -0.297 175.983 176.117 0.272 0.000 1.327 440 I CA 0.139 61.603 61.300 0.273 0.000 1.175 440 I CB 1.027 39.072 38.000 0.074 0.000 1.165 440 I HN 0.346 nan 8.210 nan 0.000 0.413 441 T N -0.039 114.683 114.554 0.279 0.000 2.971 441 T HA 0.508 4.859 4.350 0.001 0.000 0.304 441 T C -0.878 173.840 174.700 0.030 0.000 1.038 441 T CA -0.616 61.571 62.100 0.146 0.000 1.007 441 T CB 2.459 71.397 68.868 0.117 0.000 1.055 441 T HN 0.004 nan 8.240 nan 0.000 0.451 442 L N 3.790 125.045 121.223 0.053 0.000 2.410 442 L HA 0.674 5.014 4.340 0.001 0.000 0.273 442 L C -0.921 175.974 176.870 0.041 0.000 1.152 442 L CA 0.117 54.943 54.840 -0.024 0.000 0.855 442 L CB 0.521 42.381 42.059 -0.332 0.000 1.129 442 L HN 0.651 nan 8.230 nan 0.000 0.463 443 V N 6.711 126.621 119.914 -0.007 0.000 2.483 443 V HA 0.441 4.561 4.120 0.001 0.000 0.297 443 V C -0.035 176.103 176.094 0.074 0.000 1.027 443 V CA -0.595 61.711 62.300 0.010 0.000 0.855 443 V CB 1.357 33.053 31.823 -0.212 0.000 0.995 443 V HN 0.682 nan 8.190 nan 0.000 0.424 444 L N 3.577 124.893 121.223 0.154 0.000 2.331 444 L HA 0.721 5.061 4.340 0.001 0.000 0.275 444 L C -0.091 176.848 176.870 0.115 0.000 1.022 444 L CA -0.536 54.388 54.840 0.140 0.000 0.812 444 L CB 2.119 44.276 42.059 0.164 0.000 1.257 444 L HN 0.706 nan 8.230 nan 0.000 0.435 445 E N 1.450 121.705 120.200 0.091 0.000 2.199 445 E HA 0.723 5.074 4.350 0.001 0.000 0.269 445 E C -1.525 174.995 176.600 -0.134 0.000 0.899 445 E CA -0.690 55.697 56.400 -0.021 0.000 0.772 445 E CB 2.158 31.932 29.700 0.123 0.000 1.155 445 E HN 0.702 nan 8.360 nan 0.000 0.408 446 A N 3.364 126.029 122.820 -0.258 0.000 2.371 446 A HA 0.581 4.902 4.320 0.001 0.000 0.311 446 A C -1.363 176.069 177.584 -0.253 0.000 1.068 446 A CA -0.676 51.204 52.037 -0.261 0.000 0.744 446 A CB 1.677 20.491 19.000 -0.310 0.000 1.239 446 A HN 0.382 nan 8.150 nan 0.000 0.435 447 V N 3.594 123.408 119.914 -0.167 0.000 2.376 447 V HA 0.331 4.451 4.120 0.001 0.000 0.287 447 V C 0.155 176.210 176.094 -0.064 0.000 1.015 447 V CA -0.547 61.681 62.300 -0.120 0.000 0.834 447 V CB 0.948 32.724 31.823 -0.078 0.000 1.001 447 V HN 1.074 nan 8.190 nan 0.000 0.428 448 E N 0.000 120.168 120.200 -0.054 0.000 2.725 448 E HA 0.000 4.350 4.350 0.001 0.000 0.291 448 E CA 0.000 56.400 56.400 0.001 0.000 0.976 448 E CB 0.000 29.712 29.700 0.021 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440