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 2e94_1_A DATA FIRST_RESID 2 DATA SEQUENCE TKNKMEAKID ELINNDPVWS SQNESLISKP YNHILLKPGK NFRLNLIVQI DATA SEQUENCE NRVMNLPKDQ LAIVSQIVEL LHNSSLLIDD IEDNAPLRRG QTTSHLIFGV DATA SEQUENCE PSTINTANYM YFRAMQLVSQ LTTKEPLYHN LITIFNEELI NLHRGQGLDI DATA SEQUENCE YWRDFLPEII PTQEMYLNMV MNKTGGLFRL TLRLMEALSP SSXXGHSLVP DATA SEQUENCE FINLLGIIYQ IRDDYLNLKD FQMSSEKGFA EDITEGKLSF PIVHALNFTK DATA SEQUENCE TKGQTEQHNE ILRILLLRTS DKDIKLKLIQ ILEFDTNSLA YTKNFINQLV DATA SEQUENCE NMIKN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.700 174.700 -0.000 0.000 1.109 2 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 2 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 3 K N 1.026 121.426 120.400 -0.000 0.000 2.304 3 K HA -0.214 4.106 4.320 0.001 0.000 0.204 3 K C 1.373 177.973 176.600 0.000 0.000 1.044 3 K CA 1.666 57.953 56.287 0.000 0.000 0.932 3 K CB 0.078 32.578 32.500 -0.000 0.000 0.735 3 K HN 0.328 nan 8.250 nan 0.000 0.468 4 N N 0.055 118.755 118.700 -0.000 0.000 2.414 4 N HA -0.085 4.655 4.740 0.001 0.000 0.189 4 N C 1.575 177.085 175.510 -0.000 0.000 1.039 4 N CA 0.775 53.825 53.050 -0.000 0.000 0.889 4 N CB -0.229 38.258 38.487 -0.000 0.000 1.085 4 N HN -0.008 nan 8.380 nan 0.000 0.442 5 K N 1.476 121.876 120.400 -0.000 0.000 2.097 5 K HA 0.046 4.366 4.320 0.001 0.000 0.206 5 K C 1.918 178.518 176.600 0.000 0.000 1.049 5 K CA 0.852 57.139 56.287 -0.000 0.000 0.933 5 K CB -0.238 32.262 32.500 -0.000 0.000 0.717 5 K HN 0.056 nan 8.250 nan 0.000 0.442 6 M N 0.539 120.139 119.600 0.000 0.000 2.099 6 M HA -0.158 4.322 4.480 0.001 0.000 0.262 6 M C 1.993 178.294 176.300 0.001 0.000 1.067 6 M CA 1.927 57.227 55.300 0.000 0.000 1.124 6 M CB -0.408 32.192 32.600 0.000 0.000 1.353 6 M HN 0.349 nan 8.290 nan 0.000 0.410 7 E N -0.220 119.981 120.200 0.000 0.000 2.110 7 E HA -0.151 4.199 4.350 0.001 0.000 0.193 7 E C 1.751 178.351 176.600 0.001 0.000 0.988 7 E CA 1.278 57.678 56.400 0.001 0.000 0.804 7 E CB -0.022 29.678 29.700 0.000 0.000 0.745 7 E HN 0.552 nan 8.360 nan 0.000 0.458 8 A N 1.159 123.979 122.820 0.001 0.000 1.898 8 A HA -0.143 4.177 4.320 0.001 0.000 0.216 8 A C 2.032 179.617 177.584 0.001 0.000 1.181 8 A CA 1.425 53.463 52.037 0.001 0.000 0.620 8 A CB -0.259 18.741 19.000 0.000 0.000 0.819 8 A HN 0.137 nan 8.150 nan 0.000 0.442 9 K N -0.453 119.948 120.400 0.001 0.000 2.057 9 K HA -0.043 4.277 4.320 0.001 0.000 0.206 9 K C 1.778 178.380 176.600 0.002 0.000 1.050 9 K CA 1.199 57.487 56.287 0.002 0.000 0.935 9 K CB -0.254 32.247 32.500 0.001 0.000 0.715 9 K HN 0.342 nan 8.250 nan 0.000 0.439 10 I N 1.796 122.367 120.570 0.002 0.000 2.226 10 I HA -0.252 3.919 4.170 0.001 0.000 0.245 10 I C 2.139 178.257 176.117 0.002 0.000 1.100 10 I CA 1.611 62.913 61.300 0.002 0.000 1.374 10 I CB -1.011 36.990 38.000 0.002 0.000 1.057 10 I HN 0.235 nan 8.210 nan 0.000 0.413 11 D N 0.694 121.095 120.400 0.002 0.000 2.123 11 D HA -0.261 4.379 4.640 0.001 0.000 0.196 11 D C 2.220 178.521 176.300 0.002 0.000 0.992 11 D CA 1.443 55.444 54.000 0.001 0.000 0.833 11 D CB 0.004 40.804 40.800 0.001 0.000 0.954 11 D HN 0.325 nan 8.370 nan 0.000 0.455 12 E N -0.796 119.405 120.200 0.003 0.000 2.150 12 E HA -0.146 4.205 4.350 0.001 0.000 0.193 12 E C 2.109 178.712 176.600 0.005 0.000 0.985 12 E CA 0.352 56.754 56.400 0.003 0.000 0.814 12 E CB -0.069 29.633 29.700 0.003 0.000 0.752 12 E HN 0.330 nan 8.360 nan 0.000 0.466 13 L N 1.403 122.629 121.223 0.006 0.000 2.027 13 L HA -0.118 4.222 4.340 0.001 0.000 0.206 13 L C 2.346 179.220 176.870 0.007 0.000 1.074 13 L CA 1.589 56.433 54.840 0.008 0.000 0.745 13 L CB -0.402 41.662 42.059 0.008 0.000 0.898 13 L HN 0.289 nan 8.230 nan 0.000 0.433 14 I N -3.268 117.305 120.570 0.004 0.000 3.001 14 I HA -0.057 4.113 4.170 0.001 0.000 0.268 14 I C 1.158 177.276 176.117 0.002 0.000 1.267 14 I CA 1.043 62.344 61.300 0.003 0.000 1.472 14 I CB -0.589 37.411 38.000 0.001 0.000 1.089 14 I HN 0.263 nan 8.210 nan 0.000 0.468 15 N N 1.727 120.429 118.700 0.003 0.000 2.235 15 N HA 0.186 4.927 4.740 0.001 0.000 0.209 15 N C -0.436 175.076 175.510 0.003 0.000 1.122 15 N CA 0.085 53.136 53.050 0.002 0.000 0.845 15 N CB 0.202 38.690 38.487 0.002 0.000 1.004 15 N HN 0.489 nan 8.380 nan 0.000 0.499 16 N N 0.358 119.062 118.700 0.006 0.000 2.380 16 N HA 0.196 4.936 4.740 0.001 0.000 0.290 16 N C -0.930 174.587 175.510 0.011 0.000 1.236 16 N CA -0.462 52.593 53.050 0.009 0.000 0.780 16 N CB 1.826 40.320 38.487 0.012 0.000 1.438 16 N HN -0.084 nan 8.380 nan 0.000 0.491 17 D N 1.042 121.450 120.400 0.014 0.000 2.361 17 D HA 0.204 4.844 4.640 0.001 0.000 0.239 17 D C -1.853 174.463 176.300 0.027 0.000 1.200 17 D CA -0.389 53.621 54.000 0.016 0.000 0.915 17 D CB 0.108 40.920 40.800 0.019 0.000 1.170 17 D HN 0.261 nan 8.370 nan 0.000 0.444 18 P HA 0.056 nan 4.420 nan 0.000 0.271 18 P C -0.416 176.941 177.300 0.094 0.000 1.216 18 P CA -0.316 62.813 63.100 0.049 0.000 0.776 18 P CB 0.532 32.249 31.700 0.029 0.000 0.881 19 V N 4.403 124.380 119.914 0.105 0.000 2.508 19 V HA 0.137 4.257 4.120 0.001 0.000 0.281 19 V C 0.011 176.250 176.094 0.241 0.000 1.041 19 V CA 0.084 62.458 62.300 0.123 0.000 1.016 19 V CB 0.124 31.987 31.823 0.066 0.000 0.984 19 V HN 0.635 nan 8.190 nan 0.000 0.478 20 W N 5.864 127.156 121.300 -0.014 0.000 2.884 20 W HA 0.473 5.133 4.660 0.000 0.000 0.336 20 W C -0.061 176.452 176.519 -0.010 0.000 1.038 20 W CA -0.689 56.645 57.345 -0.018 0.000 1.247 20 W CB 2.229 31.679 29.460 -0.017 0.000 1.351 20 W HN 0.673 nan 8.180 nan 0.000 0.446 21 S N 1.786 117.174 115.700 -0.519 0.000 2.693 21 S HA 0.276 4.746 4.470 0.001 0.000 0.276 21 S C 1.151 175.475 174.600 -0.461 0.000 1.192 21 S CA 0.146 58.117 58.200 -0.381 0.000 0.994 21 S CB 1.748 64.765 63.200 -0.305 0.000 1.012 21 S HN 0.501 nan 8.310 nan 0.000 0.550 22 S N 0.624 116.195 115.700 -0.215 0.000 2.428 22 S HA -0.125 4.346 4.470 0.001 0.000 0.230 22 S C 1.579 176.080 174.600 -0.164 0.000 1.014 22 S CA 0.700 58.823 58.200 -0.127 0.000 0.957 22 S CB -0.641 62.529 63.200 -0.050 0.000 0.784 22 S HN 0.694 nan 8.310 nan 0.000 0.499 23 Q N 2.127 121.801 119.800 -0.210 0.000 2.046 23 Q HA 0.086 4.426 4.340 0.001 0.000 0.200 23 Q C 2.074 177.909 176.000 -0.276 0.000 0.975 23 Q CA 1.496 57.186 55.803 -0.189 0.000 0.836 23 Q CB -0.539 28.097 28.738 -0.171 0.000 0.896 23 Q HN 0.511 nan 8.270 nan 0.000 0.428 24 N N 0.353 118.739 118.700 -0.523 0.000 2.069 24 N HA -0.193 4.548 4.740 0.001 0.000 0.191 24 N C 1.660 176.888 175.510 -0.470 0.000 1.031 24 N CA 1.350 53.927 53.050 -0.788 0.000 0.852 24 N CB -0.289 37.059 38.487 -1.899 0.000 1.018 24 N HN 0.244 nan 8.380 nan 0.000 0.423 25 E N 0.870 120.866 120.200 -0.340 0.000 2.058 25 E HA -0.063 4.288 4.350 0.001 0.000 0.194 25 E C 1.849 178.517 176.600 0.114 0.000 0.997 25 E CA 1.358 57.879 56.400 0.202 0.000 0.801 25 E CB -0.269 29.587 29.700 0.261 0.000 0.746 25 E HN 0.170 nan 8.360 nan 0.000 0.450 26 S N 0.038 115.743 115.700 0.009 0.000 2.348 26 S HA -0.116 4.355 4.470 0.001 0.000 0.221 26 S C 1.932 176.531 174.600 -0.002 0.000 1.033 26 S CA 1.245 59.454 58.200 0.014 0.000 1.010 26 S CB -0.394 62.799 63.200 -0.013 0.000 0.891 26 S HN 0.274 nan 8.310 nan 0.000 0.442 27 L N 1.466 122.666 121.223 -0.037 0.000 2.042 27 L HA -0.120 4.221 4.340 0.001 0.000 0.210 27 L C 2.271 179.129 176.870 -0.020 0.000 1.076 27 L CA 1.361 56.179 54.840 -0.036 0.000 0.749 27 L CB -0.760 41.267 42.059 -0.053 0.000 0.893 27 L HN 0.462 nan 8.230 nan 0.000 0.432 28 I N -4.705 115.886 120.570 0.035 0.000 3.684 28 I HA 0.017 4.187 4.170 0.001 0.000 0.304 28 I C 1.651 177.791 176.117 0.037 0.000 1.278 28 I CA 0.434 61.757 61.300 0.038 0.000 1.272 28 I CB 0.047 38.095 38.000 0.080 0.000 1.029 28 I HN -0.015 nan 8.210 nan 0.000 0.458 29 S N 1.015 116.748 115.700 0.054 0.000 2.575 29 S HA 0.134 4.604 4.470 0.001 0.000 0.215 29 S C 1.615 176.210 174.600 -0.008 0.000 0.966 29 S CA -0.067 58.186 58.200 0.089 0.000 0.911 29 S CB -0.049 63.233 63.200 0.138 0.000 0.780 29 S HN 0.447 nan 8.310 nan 0.000 0.514 30 K N 1.849 122.142 120.400 -0.178 0.000 2.034 30 K HA -0.154 4.166 4.320 0.001 0.000 0.214 30 K C -0.988 175.238 176.600 -0.623 0.000 1.051 30 K CA 1.722 57.734 56.287 -0.459 0.000 0.931 30 K CB -1.288 30.722 32.500 -0.816 0.000 0.715 30 K HN 0.276 nan 8.250 nan 0.000 0.446 31 P HA -0.176 nan 4.420 nan 0.000 0.218 31 P C 0.992 178.331 177.300 0.065 0.000 1.148 31 P CA 1.127 64.104 63.100 -0.205 0.000 0.822 31 P CB 0.002 31.685 31.700 -0.029 0.000 0.784 32 Y N 0.427 120.706 120.300 -0.035 0.000 2.206 32 Y HA -0.077 4.473 4.550 0.000 0.000 0.292 32 Y C 2.010 177.923 175.900 0.023 0.000 1.123 32 Y CA 1.350 59.455 58.100 0.008 0.000 1.142 32 Y CB -0.705 37.761 38.460 0.008 0.000 1.006 32 Y HN -0.161 nan 8.280 nan 0.000 0.518 33 N N -0.507 118.259 118.700 0.110 0.000 2.149 33 N HA -0.248 4.492 4.740 0.001 0.000 0.188 33 N C 1.965 177.487 175.510 0.020 0.000 1.019 33 N CA 1.629 54.713 53.050 0.056 0.000 0.857 33 N CB -0.833 37.708 38.487 0.090 0.000 0.997 33 N HN 0.570 nan 8.380 nan 0.000 0.426 34 H N 0.648 119.723 119.070 0.009 0.000 2.353 34 H HA -0.026 4.531 4.556 0.001 0.000 0.300 34 H C 2.113 177.436 175.328 -0.008 0.000 1.090 34 H CA 1.090 57.187 56.048 0.082 0.000 1.327 34 H CB -0.144 29.795 29.762 0.295 0.000 1.383 34 H HN 0.176 nan 8.280 nan 0.000 0.508 35 I N 0.605 121.051 120.570 -0.207 0.000 2.546 35 I HA -0.208 3.962 4.170 0.001 0.000 0.255 35 I C 2.205 178.134 176.117 -0.313 0.000 1.163 35 I CA 0.371 61.492 61.300 -0.298 0.000 1.457 35 I CB -0.040 37.826 38.000 -0.224 0.000 1.092 35 I HN 0.247 nan 8.210 nan 0.000 0.434 36 L N 0.243 121.266 121.223 -0.333 0.000 2.079 36 L HA -0.252 4.089 4.340 0.001 0.000 0.210 36 L C 2.335 179.117 176.870 -0.146 0.000 1.081 36 L CA 1.341 56.035 54.840 -0.243 0.000 0.752 36 L CB -0.549 41.401 42.059 -0.182 0.000 0.896 36 L HN 0.295 nan 8.230 nan 0.000 0.433 37 L N 0.099 121.234 121.223 -0.146 0.000 2.450 37 L HA -0.178 4.162 4.340 0.001 0.000 0.225 37 L C 1.339 178.150 176.870 -0.100 0.000 1.145 37 L CA 0.667 55.445 54.840 -0.104 0.000 0.801 37 L CB -0.887 41.106 42.059 -0.110 0.000 0.924 37 L HN 0.287 nan 8.230 nan 0.000 0.447 38 K N 1.450 121.773 120.400 -0.129 0.000 2.218 38 K HA 0.287 4.607 4.320 0.001 0.000 0.276 38 K C -2.234 174.339 176.600 -0.044 0.000 1.022 38 K CA -1.391 54.841 56.287 -0.091 0.000 0.946 38 K CB 0.871 33.305 32.500 -0.111 0.000 1.000 38 K HN -0.206 nan 8.250 nan 0.000 0.468 39 P HA 0.166 nan 4.420 nan 0.000 0.318 39 P C 0.358 177.678 177.300 0.034 0.000 1.309 39 P CA 0.345 63.458 63.100 0.021 0.000 0.736 39 P CB 0.082 31.802 31.700 0.033 0.000 1.440 40 G N -1.073 107.772 108.800 0.076 0.000 2.194 40 G HA2 -0.264 3.696 3.960 0.001 0.000 0.236 40 G HA3 -0.264 3.696 3.960 0.001 0.000 0.236 40 G C 1.090 176.094 174.900 0.173 0.000 0.987 40 G CA 0.594 45.744 45.100 0.084 0.000 0.635 40 G HN 0.624 nan 8.290 nan 0.000 0.520 41 K N 0.439 120.930 120.400 0.151 0.000 2.217 41 K HA 0.017 4.338 4.320 0.001 0.000 0.202 41 K C 2.240 178.927 176.600 0.145 0.000 1.051 41 K CA 1.123 57.489 56.287 0.131 0.000 0.952 41 K CB -0.220 32.330 32.500 0.084 0.000 0.736 41 K HN 0.373 nan 8.250 nan 0.000 0.453 42 N N 0.222 119.041 118.700 0.198 0.000 2.142 42 N HA -0.129 4.611 4.740 0.001 0.000 0.186 42 N C 1.527 177.048 175.510 0.018 0.000 1.023 42 N CA 1.210 54.308 53.050 0.080 0.000 0.852 42 N CB -0.211 38.277 38.487 0.002 0.000 0.998 42 N HN 0.139 nan 8.380 nan 0.000 0.424 43 F N 1.352 121.315 119.950 0.021 0.000 2.163 43 F HA 0.095 4.623 4.527 0.001 0.000 0.297 43 F C 2.448 178.250 175.800 0.004 0.000 1.094 43 F CA 0.588 58.602 58.000 0.023 0.000 1.290 43 F CB -0.475 38.549 39.000 0.040 0.000 1.017 43 F HN -0.112 nan 8.300 nan 0.000 0.483 44 R N -0.117 120.486 120.500 0.172 0.000 2.193 44 R HA -0.135 4.205 4.340 0.001 0.000 0.229 44 R C 2.011 178.320 176.300 0.014 0.000 1.110 44 R CA 0.915 57.032 56.100 0.028 0.000 0.988 44 R CB -0.508 29.765 30.300 -0.044 0.000 0.871 44 R HN 0.260 nan 8.270 nan 0.000 0.458 45 L N 0.448 121.690 121.223 0.032 0.000 2.209 45 L HA 0.021 4.362 4.340 0.001 0.000 0.207 45 L C 1.567 178.433 176.870 -0.007 0.000 1.094 45 L CA 1.565 56.410 54.840 0.008 0.000 0.790 45 L CB -0.313 41.751 42.059 0.008 0.000 0.932 45 L HN -0.028 nan 8.230 nan 0.000 0.447 46 N N -0.823 117.866 118.700 -0.018 0.000 2.270 46 N HA -0.170 4.570 4.740 0.001 0.000 0.181 46 N C 1.711 177.226 175.510 0.008 0.000 1.016 46 N CA 1.177 54.200 53.050 -0.044 0.000 0.870 46 N CB -0.161 38.245 38.487 -0.135 0.000 0.979 46 N HN 0.363 nan 8.380 nan 0.000 0.431 47 L N 0.541 121.789 121.223 0.042 0.000 2.005 47 L HA 0.062 4.402 4.340 0.001 0.000 0.207 47 L C 1.922 178.818 176.870 0.042 0.000 1.072 47 L CA 1.397 56.277 54.840 0.066 0.000 0.744 47 L CB -0.573 41.529 42.059 0.071 0.000 0.895 47 L HN 0.201 nan 8.230 nan 0.000 0.433 48 I N -1.560 119.021 120.570 0.017 0.000 2.127 48 I HA -0.338 3.832 4.170 0.001 0.000 0.241 48 I C 2.385 178.506 176.117 0.008 0.000 1.075 48 I CA 1.507 62.812 61.300 0.009 0.000 1.334 48 I CB -0.513 37.486 38.000 -0.001 0.000 1.040 48 I HN 0.107 nan 8.210 nan 0.000 0.405 49 V N 0.356 120.270 119.914 0.001 0.000 2.231 49 V HA -0.325 3.796 4.120 0.001 0.000 0.248 49 V C 2.571 178.663 176.094 -0.004 0.000 1.054 49 V CA 1.834 64.130 62.300 -0.006 0.000 1.015 49 V CB -0.731 31.081 31.823 -0.018 0.000 0.638 49 V HN 0.452 nan 8.190 nan 0.000 0.444 50 Q N -0.528 119.274 119.800 0.003 0.000 2.062 50 Q HA -0.231 4.109 4.340 0.001 0.000 0.209 50 Q C 2.198 178.199 176.000 0.001 0.000 0.996 50 Q CA 2.226 58.033 55.803 0.006 0.000 0.859 50 Q CB -0.647 28.108 28.738 0.028 0.000 0.920 50 Q HN 0.638 nan 8.270 nan 0.000 0.415 51 I N 0.899 121.478 120.570 0.016 0.000 2.335 51 I HA -0.280 3.890 4.170 0.001 0.000 0.251 51 I C 2.193 178.305 176.117 -0.008 0.000 1.129 51 I CA 0.917 62.222 61.300 0.009 0.000 1.402 51 I CB -0.363 37.659 38.000 0.036 0.000 1.069 51 I HN 0.331 nan 8.210 nan 0.000 0.424 52 N N 1.001 119.698 118.700 -0.005 0.000 2.381 52 N HA -0.124 4.616 4.740 0.001 0.000 0.182 52 N C 1.618 177.117 175.510 -0.017 0.000 1.025 52 N CA 0.319 53.364 53.050 -0.010 0.000 0.888 52 N CB 0.117 38.600 38.487 -0.006 0.000 0.965 52 N HN 0.300 nan 8.380 nan 0.000 0.438 53 R N -0.089 120.399 120.500 -0.021 0.000 2.377 53 R HA -0.011 4.329 4.340 0.001 0.000 0.207 53 R C 0.900 177.180 176.300 -0.034 0.000 1.075 53 R CA 0.275 56.360 56.100 -0.025 0.000 1.035 53 R CB 0.331 30.615 30.300 -0.026 0.000 0.857 53 R HN 0.165 nan 8.270 nan 0.000 0.475 54 V N -1.274 118.617 119.914 -0.038 0.000 3.368 54 V HA 0.002 4.122 4.120 0.001 0.000 0.255 54 V C 1.462 177.531 176.094 -0.041 0.000 1.466 54 V CA 0.249 62.519 62.300 -0.049 0.000 1.095 54 V CB 0.542 32.320 31.823 -0.075 0.000 0.899 54 V HN 0.147 nan 8.190 nan 0.000 0.440 55 M N -0.010 119.571 119.600 -0.031 0.000 2.388 55 M HA 0.221 4.701 4.480 0.001 0.000 0.265 55 M C 0.524 176.815 176.300 -0.015 0.000 1.088 55 M CA 0.586 55.873 55.300 -0.022 0.000 1.134 55 M CB -0.741 31.851 32.600 -0.014 0.000 1.384 55 M HN 0.426 nan 8.290 nan 0.000 0.447 56 N N 1.898 120.590 118.700 -0.015 0.000 2.714 56 N HA -0.157 4.583 4.740 0.001 0.000 0.253 56 N C -0.874 174.633 175.510 -0.006 0.000 1.024 56 N CA 0.453 53.496 53.050 -0.011 0.000 0.726 56 N CB -1.918 36.562 38.487 -0.011 0.000 0.908 56 N HN 0.390 nan 8.380 nan 0.000 0.542 57 L N 0.793 122.014 121.223 -0.004 0.000 2.375 57 L HA 0.431 4.771 4.340 0.001 0.000 0.271 57 L C -1.255 175.615 176.870 0.001 0.000 1.107 57 L CA -1.477 53.363 54.840 0.001 0.000 0.806 57 L CB 0.536 42.597 42.059 0.003 0.000 1.146 57 L HN -0.032 nan 8.230 nan 0.000 0.447 58 P HA 0.095 nan 4.420 nan 0.000 0.272 58 P C -0.305 176.998 177.300 0.003 0.000 1.230 58 P CA -0.403 62.699 63.100 0.003 0.000 0.788 58 P CB 0.914 32.617 31.700 0.004 0.000 0.949 59 K N 0.813 121.214 120.400 0.003 0.000 2.097 59 K HA -0.131 4.189 4.320 0.001 0.000 0.205 59 K C 1.492 178.096 176.600 0.006 0.000 1.050 59 K CA 1.775 58.064 56.287 0.003 0.000 0.938 59 K CB -0.386 32.115 32.500 0.002 0.000 0.718 59 K HN 0.576 nan 8.250 nan 0.000 0.442 60 D N 0.975 121.379 120.400 0.007 0.000 2.178 60 D HA -0.205 4.435 4.640 0.001 0.000 0.202 60 D C 1.804 178.110 176.300 0.011 0.000 0.974 60 D CA 1.176 55.181 54.000 0.008 0.000 0.841 60 D CB -0.265 40.540 40.800 0.008 0.000 0.953 60 D HN 0.225 nan 8.370 nan 0.000 0.478 61 Q N -0.624 119.182 119.800 0.011 0.000 2.083 61 Q HA -0.015 4.326 4.340 0.001 0.000 0.198 61 Q C 2.272 178.280 176.000 0.014 0.000 0.969 61 Q CA 0.370 56.182 55.803 0.014 0.000 0.838 61 Q CB -0.070 28.677 28.738 0.014 0.000 0.900 61 Q HN 0.198 nan 8.270 nan 0.000 0.436 62 L N 0.528 121.758 121.223 0.011 0.000 2.042 62 L HA -0.180 4.161 4.340 0.001 0.000 0.210 62 L C 2.119 178.996 176.870 0.012 0.000 1.076 62 L CA 2.084 56.929 54.840 0.010 0.000 0.749 62 L CB -0.597 41.465 42.059 0.006 0.000 0.893 62 L HN 0.167 nan 8.230 nan 0.000 0.432 63 A N -0.673 122.155 122.820 0.013 0.000 1.930 63 A HA -0.152 4.168 4.320 0.001 0.000 0.217 63 A C 2.252 179.848 177.584 0.020 0.000 1.175 63 A CA 1.902 53.949 52.037 0.015 0.000 0.627 63 A CB -0.771 18.237 19.000 0.014 0.000 0.815 63 A HN 0.499 nan 8.150 nan 0.000 0.443 64 I N -0.472 120.109 120.570 0.019 0.000 2.353 64 I HA -0.170 4.000 4.170 0.001 0.000 0.248 64 I C 2.239 178.373 176.117 0.028 0.000 1.119 64 I CA 0.786 62.100 61.300 0.023 0.000 1.417 64 I CB -0.205 37.808 38.000 0.021 0.000 1.078 64 I HN 0.139 nan 8.210 nan 0.000 0.421 65 V N -0.198 119.731 119.914 0.025 0.000 2.343 65 V HA -0.296 3.824 4.120 0.001 0.000 0.247 65 V C 2.571 178.680 176.094 0.025 0.000 1.051 65 V CA 2.101 64.417 62.300 0.027 0.000 1.036 65 V CB -0.612 31.223 31.823 0.019 0.000 0.654 65 V HN 0.401 nan 8.190 nan 0.000 0.451 66 S N -0.861 114.851 115.700 0.021 0.000 2.359 66 S HA -0.300 4.170 4.470 0.001 0.000 0.224 66 S C 2.084 176.707 174.600 0.037 0.000 1.035 66 S CA 2.093 60.306 58.200 0.022 0.000 1.018 66 S CB -0.219 62.994 63.200 0.021 0.000 0.876 66 S HN 0.696 nan 8.310 nan 0.000 0.448 67 Q N 0.133 119.958 119.800 0.041 0.000 2.061 67 Q HA -0.077 4.264 4.340 0.001 0.000 0.204 67 Q C 2.214 178.249 176.000 0.060 0.000 0.984 67 Q CA 1.728 57.562 55.803 0.051 0.000 0.846 67 Q CB -0.297 28.464 28.738 0.038 0.000 0.902 67 Q HN 0.567 nan 8.270 nan 0.000 0.421 68 I N -0.142 120.463 120.570 0.057 0.000 2.127 68 I HA -0.298 3.873 4.170 0.001 0.000 0.241 68 I C 2.198 178.367 176.117 0.087 0.000 1.075 68 I CA 1.051 62.401 61.300 0.083 0.000 1.334 68 I CB -0.275 37.784 38.000 0.099 0.000 1.040 68 I HN 0.072 nan 8.210 nan 0.000 0.405 69 V N 0.370 120.316 119.914 0.054 0.000 2.427 69 V HA -0.216 3.904 4.120 0.001 0.000 0.248 69 V C 2.480 178.616 176.094 0.069 0.000 1.051 69 V CA 1.616 63.928 62.300 0.021 0.000 1.048 69 V CB -0.573 31.232 31.823 -0.031 0.000 0.666 69 V HN 0.380 nan 8.190 nan 0.000 0.456 70 E N -0.006 120.249 120.200 0.092 0.000 2.072 70 E HA -0.141 4.209 4.350 0.001 0.000 0.191 70 E C 2.209 178.934 176.600 0.209 0.000 0.985 70 E CA 1.097 57.585 56.400 0.147 0.000 0.801 70 E CB -0.286 29.491 29.700 0.127 0.000 0.750 70 E HN 0.499 nan 8.360 nan 0.000 0.452 71 L N 0.331 121.664 121.223 0.184 0.000 2.027 71 L HA -0.156 4.185 4.340 0.001 0.000 0.206 71 L C 2.596 179.584 176.870 0.196 0.000 1.074 71 L CA 0.793 55.747 54.840 0.191 0.000 0.745 71 L CB -0.386 41.695 42.059 0.037 0.000 0.898 71 L HN 0.112 nan 8.230 nan 0.000 0.433 72 L N -1.068 120.258 121.223 0.172 0.000 2.042 72 L HA -0.283 4.058 4.340 0.001 0.000 0.210 72 L C 2.705 179.708 176.870 0.222 0.000 1.076 72 L CA 1.278 56.237 54.840 0.197 0.000 0.749 72 L CB -0.711 41.380 42.059 0.052 0.000 0.893 72 L HN 0.360 nan 8.230 nan 0.000 0.432 73 H N 0.463 119.564 119.070 0.051 0.000 2.326 73 H HA -0.111 4.446 4.556 0.001 0.000 0.301 73 H C 2.129 177.481 175.328 0.040 0.000 1.081 73 H CA 1.707 57.760 56.048 0.010 0.000 1.334 73 H CB 0.006 29.743 29.762 -0.042 0.000 1.385 73 H HN 0.194 nan 8.280 nan 0.000 0.504 74 N N -0.188 118.525 118.700 0.021 0.000 2.188 74 N HA -0.107 4.634 4.740 0.001 0.000 0.184 74 N C 2.014 177.529 175.510 0.009 0.000 1.018 74 N CA 1.243 54.242 53.050 -0.084 0.000 0.858 74 N CB -0.252 38.182 38.487 -0.088 0.000 0.989 74 N HN 0.279 nan 8.380 nan 0.000 0.426 75 S N 0.406 116.174 115.700 0.114 0.000 2.368 75 S HA -0.025 4.445 4.470 0.001 0.000 0.224 75 S C 2.166 176.745 174.600 -0.037 0.000 1.029 75 S CA 0.750 58.939 58.200 -0.018 0.000 0.988 75 S CB -0.130 62.929 63.200 -0.235 0.000 0.838 75 S HN 0.287 nan 8.310 nan 0.000 0.462 76 S N 1.592 117.346 115.700 0.090 0.000 2.368 76 S HA 0.039 4.509 4.470 0.001 0.000 0.225 76 S C 1.776 176.381 174.600 0.008 0.000 1.030 76 S CA 0.895 59.154 58.200 0.100 0.000 0.999 76 S CB -0.382 62.881 63.200 0.106 0.000 0.844 76 S HN 0.378 nan 8.310 nan 0.000 0.459 77 L N 0.910 122.094 121.223 -0.064 0.000 2.056 77 L HA -0.085 4.255 4.340 0.001 0.000 0.207 77 L C 2.262 179.120 176.870 -0.019 0.000 1.078 77 L CA 0.972 55.765 54.840 -0.079 0.000 0.749 77 L CB -0.710 41.237 42.059 -0.187 0.000 0.901 77 L HN 0.290 nan 8.230 nan 0.000 0.433 78 L N -0.371 120.847 121.223 -0.009 0.000 1.990 78 L HA -0.281 4.060 4.340 0.001 0.000 0.213 78 L C 2.620 179.512 176.870 0.036 0.000 1.072 78 L CA 1.270 56.136 54.840 0.044 0.000 0.755 78 L CB -0.473 41.617 42.059 0.052 0.000 0.889 78 L HN 0.243 nan 8.230 nan 0.000 0.432 79 I N -0.125 120.449 120.570 0.007 0.000 2.252 79 I HA -0.286 3.885 4.170 0.001 0.000 0.245 79 I C 2.252 178.361 176.117 -0.013 0.000 1.102 79 I CA 1.670 62.971 61.300 0.002 0.000 1.385 79 I CB -1.086 36.936 38.000 0.036 0.000 1.064 79 I HN 0.344 nan 8.210 nan 0.000 0.414 80 D N 1.162 121.561 120.400 -0.001 0.000 2.123 80 D HA -0.235 4.405 4.640 0.001 0.000 0.196 80 D C 1.691 177.984 176.300 -0.012 0.000 0.992 80 D CA 1.537 55.534 54.000 -0.005 0.000 0.833 80 D CB 0.096 40.899 40.800 0.006 0.000 0.954 80 D HN 0.198 nan 8.370 nan 0.000 0.455 81 D N -0.388 120.016 120.400 0.007 0.000 2.144 81 D HA -0.110 4.530 4.640 0.001 0.000 0.199 81 D C 2.227 178.454 176.300 -0.122 0.000 0.984 81 D CA 0.558 54.580 54.000 0.037 0.000 0.834 81 D CB -0.165 40.725 40.800 0.151 0.000 0.955 81 D HN 0.397 nan 8.370 nan 0.000 0.465 82 I N 1.047 121.446 120.570 -0.285 0.000 2.202 82 I HA -0.218 3.952 4.170 0.001 0.000 0.242 82 I C 2.224 178.188 176.117 -0.256 0.000 1.091 82 I CA 1.090 62.059 61.300 -0.552 0.000 1.368 82 I CB -0.142 37.661 38.000 -0.329 0.000 1.058 82 I HN -0.072 nan 8.210 nan 0.000 0.410 83 E N 0.468 120.592 120.200 -0.127 0.000 2.204 83 E HA -0.225 4.125 4.350 0.001 0.000 0.195 83 E C 0.984 177.552 176.600 -0.053 0.000 0.990 83 E CA 1.165 57.525 56.400 -0.067 0.000 0.821 83 E CB 0.004 29.685 29.700 -0.031 0.000 0.750 83 E HN 0.472 nan 8.360 nan 0.000 0.477 84 D N -0.437 119.935 120.400 -0.047 0.000 2.349 84 D HA -0.001 4.639 4.640 0.001 0.000 0.214 84 D C 0.017 176.307 176.300 -0.016 0.000 1.063 84 D CA 0.053 54.042 54.000 -0.019 0.000 0.847 84 D CB -0.057 40.747 40.800 0.007 0.000 0.933 84 D HN 0.116 nan 8.370 nan 0.000 0.513 85 N N 0.102 118.779 118.700 -0.038 0.000 2.735 85 N HA -0.226 4.515 4.740 0.001 0.000 0.248 85 N C -0.468 175.094 175.510 0.086 0.000 1.083 85 N CA 0.092 53.153 53.050 0.018 0.000 0.703 85 N CB -0.537 37.952 38.487 0.002 0.000 1.005 85 N HN 0.162 nan 8.380 nan 0.000 0.550 86 A N 0.869 123.760 122.820 0.118 0.000 2.454 86 A HA 0.296 4.617 4.320 0.001 0.000 0.260 86 A C -0.715 176.927 177.584 0.096 0.000 1.106 86 A CA -0.849 51.242 52.037 0.092 0.000 0.780 86 A CB 0.495 19.545 19.000 0.084 0.000 1.044 86 A HN 0.312 nan 8.150 nan 0.000 0.498 87 P HA 0.086 nan 4.420 nan 0.000 0.230 87 P C -0.059 177.191 177.300 -0.082 0.000 1.168 87 P CA 0.789 63.844 63.100 -0.075 0.000 0.793 87 P CB 0.247 31.879 31.700 -0.114 0.000 0.851 88 L N -0.739 120.450 121.223 -0.056 0.000 2.388 88 L HA 0.639 4.979 4.340 0.001 0.000 0.264 88 L C -0.198 176.682 176.870 0.017 0.000 0.998 88 L CA -1.119 53.704 54.840 -0.029 0.000 0.817 88 L CB 2.611 44.635 42.059 -0.057 0.000 1.338 88 L HN -0.278 nan 8.230 nan 0.000 0.414 89 R N 2.393 122.910 120.500 0.028 0.000 2.531 89 R HA 0.429 4.769 4.340 0.001 0.000 0.293 89 R C -0.898 175.408 176.300 0.010 0.000 1.124 89 R CA -0.554 55.561 56.100 0.026 0.000 0.945 89 R CB 0.682 30.995 30.300 0.022 0.000 1.195 89 R HN 0.501 nan 8.270 nan 0.000 0.433 90 R N 3.483 123.997 120.500 0.023 0.000 3.267 90 R HA -0.156 4.184 4.340 0.001 0.000 0.254 90 R C 0.470 176.784 176.300 0.022 0.000 0.993 90 R CA 1.143 57.252 56.100 0.015 0.000 0.670 90 R CB -2.020 28.269 30.300 -0.018 0.000 1.125 90 R HN 1.384 nan 8.270 nan 0.000 0.434 91 G N -0.599 108.234 108.800 0.054 0.000 2.180 91 G HA2 -0.382 3.578 3.960 0.001 0.000 0.263 91 G HA3 -0.382 3.578 3.960 0.001 0.000 0.263 91 G C 0.072 174.997 174.900 0.042 0.000 0.989 91 G CA 1.184 46.322 45.100 0.063 0.000 0.692 91 G HN 0.513 nan 8.290 nan 0.000 0.526 92 Q N -0.540 119.278 119.800 0.030 0.000 2.433 92 Q HA 0.685 5.025 4.340 0.001 0.000 0.279 92 Q C 0.328 176.363 176.000 0.058 0.000 1.105 92 Q CA -0.219 55.610 55.803 0.044 0.000 0.815 92 Q CB 1.271 30.026 28.738 0.028 0.000 1.403 92 Q HN 0.158 nan 8.270 nan 0.000 0.435 93 T N 1.715 116.305 114.554 0.060 0.000 2.928 93 T HA 0.094 4.444 4.350 0.001 0.000 0.305 93 T C -0.136 174.610 174.700 0.076 0.000 1.035 93 T CA 0.324 62.423 62.100 -0.002 0.000 1.145 93 T CB 0.259 69.074 68.868 -0.089 0.000 0.963 93 T HN 0.526 nan 8.240 nan 0.000 0.545 94 T N 3.360 117.894 114.554 -0.034 0.000 2.930 94 T HA 0.036 4.386 4.350 0.001 0.000 0.306 94 T C 1.695 176.347 174.700 -0.079 0.000 1.045 94 T CA -0.235 61.854 62.100 -0.019 0.000 1.134 94 T CB 0.604 69.403 68.868 -0.115 0.000 0.961 94 T HN 0.625 nan 8.240 nan 0.000 0.545 95 S N 2.080 117.865 115.700 0.143 0.000 2.374 95 S HA -0.213 4.257 4.470 0.001 0.000 0.227 95 S C 1.817 176.477 174.600 0.100 0.000 1.037 95 S CA 2.054 60.366 58.200 0.188 0.000 1.024 95 S CB -0.468 62.969 63.200 0.395 0.000 0.861 95 S HN 0.982 nan 8.310 nan 0.000 0.456 96 H N 0.304 119.430 119.070 0.094 0.000 2.491 96 H HA 0.165 4.721 4.556 0.000 0.000 0.290 96 H C 1.713 177.041 175.328 -0.000 0.000 1.050 96 H CA 0.978 57.066 56.048 0.067 0.000 1.309 96 H CB -0.424 29.368 29.762 0.051 0.000 1.392 96 H HN 0.300 nan 8.280 nan 0.000 0.554 97 L N -0.182 120.720 121.223 -0.535 0.000 2.240 97 L HA 0.026 4.366 4.340 0.001 0.000 0.211 97 L C 1.998 178.688 176.870 -0.300 0.000 1.106 97 L CA 0.596 55.217 54.840 -0.365 0.000 0.793 97 L CB -0.094 41.728 42.059 -0.395 0.000 0.927 97 L HN 0.347 nan 8.230 nan 0.000 0.446 98 I N -1.282 119.039 120.570 -0.414 0.000 2.364 98 I HA -0.170 4.001 4.170 0.001 0.000 0.241 98 I C 1.611 177.353 176.117 -0.625 0.000 1.082 98 I CA 1.305 62.211 61.300 -0.657 0.000 1.401 98 I CB -0.048 37.242 38.000 -1.183 0.000 1.126 98 I HN 0.046 nan 8.210 nan 0.000 0.429 99 F N 0.936 120.832 119.950 -0.091 0.000 2.727 99 F HA 0.427 4.954 4.527 0.001 0.000 0.302 99 F C 1.115 176.914 175.800 -0.002 0.000 1.097 99 F CA 0.182 58.160 58.000 -0.036 0.000 1.330 99 F CB -0.154 38.837 39.000 -0.016 0.000 1.084 99 F HN 0.116 nan 8.300 nan 0.000 0.578 100 G N 0.240 109.117 108.800 0.128 0.000 2.692 100 G HA2 -0.149 3.811 3.960 0.001 0.000 0.686 100 G HA3 -0.149 3.811 3.960 0.001 0.000 0.686 100 G C 0.320 175.321 174.900 0.168 0.000 1.243 100 G CA -0.643 44.529 45.100 0.119 0.000 0.782 100 G HN -0.097 nan 8.290 nan 0.000 0.625 101 V N 2.357 122.362 119.914 0.152 0.000 2.287 101 V HA -0.144 3.976 4.120 0.001 0.000 0.248 101 V C 0.693 176.843 176.094 0.094 0.000 1.053 101 V CA 2.987 65.362 62.300 0.125 0.000 1.027 101 V CB -1.223 30.643 31.823 0.072 0.000 0.646 101 V HN 0.684 nan 8.190 nan 0.000 0.447 102 P HA -0.122 nan 4.420 nan 0.000 0.214 102 P C 2.025 179.368 177.300 0.070 0.000 1.163 102 P CA 1.944 65.083 63.100 0.065 0.000 0.889 102 P CB -0.123 31.610 31.700 0.055 0.000 0.790 103 S N -1.267 114.484 115.700 0.086 0.000 2.383 103 S HA -0.109 4.362 4.470 0.001 0.000 0.227 103 S C 1.900 176.549 174.600 0.081 0.000 1.026 103 S CA 1.749 59.995 58.200 0.077 0.000 0.981 103 S CB -1.330 61.923 63.200 0.088 0.000 0.818 103 S HN 0.278 nan 8.310 nan 0.000 0.472 104 T N 2.542 117.168 114.554 0.120 0.000 2.777 104 T HA 0.070 4.420 4.350 0.001 0.000 0.266 104 T C 1.733 176.483 174.700 0.082 0.000 1.040 104 T CA 0.921 63.097 62.100 0.127 0.000 1.141 104 T CB -0.329 68.659 68.868 0.198 0.000 0.868 104 T HN 0.305 nan 8.240 nan 0.000 0.444 105 I N 1.478 122.089 120.570 0.068 0.000 2.179 105 I HA -0.186 3.984 4.170 0.001 0.000 0.242 105 I C 2.574 178.720 176.117 0.049 0.000 1.088 105 I CA 1.308 62.636 61.300 0.047 0.000 1.357 105 I CB -0.384 37.646 38.000 0.050 0.000 1.051 105 I HN 0.247 nan 8.210 nan 0.000 0.409 106 N N 0.257 118.991 118.700 0.057 0.000 2.120 106 N HA -0.162 4.578 4.740 0.001 0.000 0.188 106 N C 1.702 177.261 175.510 0.081 0.000 1.024 106 N CA 1.888 54.974 53.050 0.060 0.000 0.852 106 N CB 0.025 38.533 38.487 0.035 0.000 1.003 106 N HN 0.151 nan 8.380 nan 0.000 0.424 107 T N -0.324 114.275 114.554 0.075 0.000 2.737 107 T HA -0.042 4.308 4.350 0.001 0.000 0.265 107 T C 1.855 176.608 174.700 0.088 0.000 1.038 107 T CA 1.246 63.417 62.100 0.118 0.000 1.144 107 T CB -0.601 68.325 68.868 0.097 0.000 0.866 107 T HN 0.426 nan 8.240 nan 0.000 0.434 108 A N 2.159 124.983 122.820 0.007 0.000 1.883 108 A HA -0.182 4.138 4.320 0.001 0.000 0.217 108 A C 2.142 179.498 177.584 -0.380 0.000 1.186 108 A CA 1.960 53.902 52.037 -0.159 0.000 0.624 108 A CB -0.942 17.955 19.000 -0.171 0.000 0.822 108 A HN 0.632 nan 8.150 nan 0.000 0.444 109 N N -1.911 116.673 118.700 -0.194 0.000 2.166 109 N HA -0.205 4.535 4.740 0.001 0.000 0.186 109 N C 1.772 177.385 175.510 0.172 0.000 1.019 109 N CA 1.466 54.484 53.050 -0.054 0.000 0.856 109 N CB -0.318 38.291 38.487 0.203 0.000 0.993 109 N HN 0.620 nan 8.380 nan 0.000 0.426 110 Y N 1.788 122.129 120.300 0.069 0.000 2.128 110 Y HA -0.160 4.390 4.550 0.001 0.000 0.284 110 Y C 2.108 178.040 175.900 0.054 0.000 1.154 110 Y CA 1.413 59.582 58.100 0.115 0.000 1.149 110 Y CB -0.207 38.254 38.460 0.002 0.000 0.976 110 Y HN 0.017 nan 8.280 nan 0.000 0.505 111 M N -0.975 118.497 119.600 -0.213 0.000 2.296 111 M HA -0.205 4.275 4.480 0.001 0.000 0.265 111 M C 1.999 178.195 176.300 -0.173 0.000 1.064 111 M CA 1.104 56.185 55.300 -0.366 0.000 1.109 111 M CB -1.638 30.712 32.600 -0.417 0.000 1.396 111 M HN 0.459 nan 8.290 nan 0.000 0.430 112 Y N -0.821 119.367 120.300 -0.186 0.000 2.145 112 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 112 Y C 2.202 177.902 175.900 -0.334 0.000 1.145 112 Y CA 0.899 58.832 58.100 -0.278 0.000 1.148 112 Y CB -0.427 37.749 38.460 -0.473 0.000 0.981 112 Y HN 0.060 nan 8.280 nan 0.000 0.507 113 F N -0.470 119.565 119.950 0.141 0.000 2.259 113 F HA -0.154 4.373 4.527 0.000 0.000 0.298 113 F C 2.232 177.973 175.800 -0.098 0.000 1.088 113 F CA 0.682 58.700 58.000 0.031 0.000 1.358 113 F CB -0.221 38.793 39.000 0.024 0.000 1.040 113 F HN -0.102 nan 8.300 nan 0.000 0.505 114 R N 0.480 120.904 120.500 -0.127 0.000 2.092 114 R HA -0.038 4.303 4.340 0.001 0.000 0.231 114 R C 2.378 178.616 176.300 -0.103 0.000 1.119 114 R CA 1.134 57.108 56.100 -0.210 0.000 0.970 114 R CB -1.218 28.830 30.300 -0.419 0.000 0.864 114 R HN 0.319 nan 8.270 nan 0.000 0.440 115 A N 1.471 124.267 122.820 -0.040 0.000 1.877 115 A HA -0.157 4.163 4.320 0.001 0.000 0.216 115 A C 2.259 179.838 177.584 -0.008 0.000 1.186 115 A CA 1.482 53.551 52.037 0.054 0.000 0.620 115 A CB -0.504 18.619 19.000 0.204 0.000 0.822 115 A HN 0.274 nan 8.150 nan 0.000 0.443 116 M N -0.802 118.737 119.600 -0.102 0.000 2.106 116 M HA -0.280 4.201 4.480 0.001 0.000 0.259 116 M C 2.378 178.493 176.300 -0.309 0.000 1.068 116 M CA 2.401 57.352 55.300 -0.583 0.000 1.100 116 M CB -0.258 32.082 32.600 -0.433 0.000 1.351 116 M HN 0.633 nan 8.290 nan 0.000 0.404 117 Q N 0.272 119.996 119.800 -0.126 0.000 2.170 117 Q HA -0.163 4.177 4.340 0.001 0.000 0.203 117 Q C 1.853 177.824 176.000 -0.050 0.000 0.976 117 Q CA 1.353 57.117 55.803 -0.064 0.000 0.858 117 Q CB -0.174 28.540 28.738 -0.041 0.000 0.907 117 Q HN 0.633 nan 8.270 nan 0.000 0.433 118 L N -0.254 120.936 121.223 -0.054 0.000 2.362 118 L HA -0.131 4.209 4.340 0.001 0.000 0.219 118 L C 2.177 179.042 176.870 -0.009 0.000 1.134 118 L CA 0.220 55.045 54.840 -0.024 0.000 0.807 118 L CB -0.248 41.805 42.059 -0.010 0.000 0.927 118 L HN 0.136 nan 8.230 nan 0.000 0.447 119 V N -0.007 119.882 119.914 -0.042 0.000 2.392 119 V HA -0.288 3.832 4.120 0.001 0.000 0.249 119 V C 2.606 178.781 176.094 0.135 0.000 1.059 119 V CA 2.082 64.380 62.300 -0.004 0.000 1.051 119 V CB -0.689 31.049 31.823 -0.142 0.000 0.658 119 V HN 0.654 nan 8.190 nan 0.000 0.455 120 S N -0.315 115.490 115.700 0.175 0.000 2.469 120 S HA -0.238 4.232 4.470 0.001 0.000 0.238 120 S C 1.697 176.315 174.600 0.029 0.000 0.998 120 S CA 1.128 59.393 58.200 0.109 0.000 0.957 120 S CB -0.461 62.690 63.200 -0.081 0.000 0.764 120 S HN 0.723 nan 8.310 nan 0.000 0.514 121 Q N 0.176 119.993 119.800 0.028 0.000 2.444 121 Q HA 0.290 4.631 4.340 0.001 0.000 0.206 121 Q C 1.575 177.591 176.000 0.027 0.000 0.948 121 Q CA 0.241 56.053 55.803 0.014 0.000 0.946 121 Q CB -0.232 28.511 28.738 0.008 0.000 1.027 121 Q HN 0.585 nan 8.270 nan 0.000 0.513 122 L N -0.555 120.698 121.223 0.051 0.000 2.270 122 L HA 0.051 4.391 4.340 0.001 0.000 0.210 122 L C 0.373 177.275 176.870 0.053 0.000 1.104 122 L CA 0.708 55.578 54.840 0.051 0.000 0.804 122 L CB 0.429 42.523 42.059 0.057 0.000 0.937 122 L HN 0.096 nan 8.230 nan 0.000 0.450 123 T N -3.325 111.268 114.554 0.066 0.000 2.769 123 T HA 0.220 4.570 4.350 0.001 0.000 0.306 123 T C 0.305 175.020 174.700 0.024 0.000 1.400 123 T CA -0.188 61.945 62.100 0.055 0.000 1.007 123 T CB 1.844 70.764 68.868 0.087 0.000 1.392 123 T HN -0.044 nan 8.240 nan 0.000 0.500 124 T N -2.160 112.399 114.554 0.010 0.000 3.040 124 T HA 0.305 4.655 4.350 0.001 0.000 0.266 124 T C 0.133 174.829 174.700 -0.007 0.000 1.005 124 T CA -0.335 61.752 62.100 -0.022 0.000 0.906 124 T CB -0.105 68.751 68.868 -0.021 0.000 1.082 124 T HN 0.375 nan 8.240 nan 0.000 0.531 125 K N 2.494 122.911 120.400 0.029 0.000 2.263 125 K HA 0.281 4.601 4.320 0.001 0.000 0.282 125 K C 0.747 177.400 176.600 0.088 0.000 1.089 125 K CA -0.470 55.844 56.287 0.045 0.000 0.907 125 K CB 0.996 33.524 32.500 0.047 0.000 1.148 125 K HN 0.018 nan 8.250 nan 0.000 0.470 126 E N 2.091 122.335 120.200 0.073 0.000 2.114 126 E HA -0.195 4.156 4.350 0.001 0.000 0.199 126 E C -1.004 175.707 176.600 0.184 0.000 1.008 126 E CA 1.686 58.165 56.400 0.131 0.000 0.810 126 E CB -1.052 28.693 29.700 0.076 0.000 0.739 126 E HN 0.492 nan 8.360 nan 0.000 0.456 127 P HA -0.127 nan 4.420 nan 0.000 0.214 127 P C 1.786 179.155 177.300 0.115 0.000 1.162 127 P CA 0.706 63.858 63.100 0.086 0.000 0.879 127 P CB -0.079 31.645 31.700 0.041 0.000 0.786 128 L N -1.382 119.904 121.223 0.104 0.000 2.017 128 L HA -0.181 4.159 4.340 0.001 0.000 0.208 128 L C 2.385 179.318 176.870 0.105 0.000 1.073 128 L CA 1.788 56.681 54.840 0.090 0.000 0.745 128 L CB -1.751 40.355 42.059 0.077 0.000 0.894 128 L HN -0.067 nan 8.230 nan 0.000 0.432 129 Y N -0.429 119.896 120.300 0.042 0.000 2.114 129 Y HA -0.357 4.194 4.550 0.000 0.000 0.282 129 Y C 2.876 178.797 175.900 0.036 0.000 1.165 129 Y CA 2.409 60.523 58.100 0.024 0.000 1.148 129 Y CB -0.696 37.772 38.460 0.014 0.000 0.972 129 Y HN 0.460 nan 8.280 nan 0.000 0.504 130 H N 0.304 119.331 119.070 -0.072 0.000 2.352 130 H HA -0.161 4.395 4.556 0.001 0.000 0.299 130 H C 1.640 176.878 175.328 -0.150 0.000 1.097 130 H CA 1.936 57.907 56.048 -0.129 0.000 1.311 130 H CB -0.127 29.637 29.762 0.003 0.000 1.377 130 H HN 0.427 nan 8.280 nan 0.000 0.504 131 N N 0.717 119.459 118.700 0.070 0.000 2.142 131 N HA -0.101 4.639 4.740 0.001 0.000 0.186 131 N C 2.413 177.886 175.510 -0.060 0.000 1.023 131 N CA 0.696 53.768 53.050 0.036 0.000 0.852 131 N CB -0.373 38.145 38.487 0.053 0.000 0.998 131 N HN 0.375 nan 8.380 nan 0.000 0.424 132 L N 0.576 121.729 121.223 -0.115 0.000 2.083 132 L HA -0.080 4.261 4.340 0.001 0.000 0.209 132 L C 2.107 178.881 176.870 -0.159 0.000 1.083 132 L CA 0.663 55.434 54.840 -0.114 0.000 0.752 132 L CB -0.302 41.689 42.059 -0.114 0.000 0.899 132 L HN 0.099 nan 8.230 nan 0.000 0.433 133 I N -0.144 120.215 120.570 -0.352 0.000 2.202 133 I HA -0.229 3.941 4.170 0.001 0.000 0.242 133 I C 2.562 178.592 176.117 -0.145 0.000 1.091 133 I CA 1.631 62.725 61.300 -0.343 0.000 1.368 133 I CB -1.236 36.424 38.000 -0.566 0.000 1.058 133 I HN 0.266 nan 8.210 nan 0.000 0.410 134 T N 1.600 116.042 114.554 -0.187 0.000 2.684 134 T HA -0.158 4.192 4.350 0.001 0.000 0.267 134 T C 2.069 176.757 174.700 -0.019 0.000 1.036 134 T CA 1.391 63.434 62.100 -0.096 0.000 1.148 134 T CB -0.287 68.541 68.868 -0.068 0.000 0.863 134 T HN 0.208 nan 8.240 nan 0.000 0.436 135 I N 0.199 120.765 120.570 -0.008 0.000 2.163 135 I HA -0.162 4.009 4.170 0.001 0.000 0.243 135 I C 2.100 178.237 176.117 0.033 0.000 1.085 135 I CA 1.437 62.743 61.300 0.012 0.000 1.347 135 I CB -0.408 37.600 38.000 0.014 0.000 1.044 135 I HN 0.167 nan 8.210 nan 0.000 0.408 136 F N 1.935 121.820 119.950 -0.108 0.000 2.065 136 F HA -0.358 4.169 4.527 0.000 0.000 0.298 136 F C 2.461 178.190 175.800 -0.117 0.000 1.112 136 F CA 2.149 60.081 58.000 -0.113 0.000 1.212 136 F CB -0.432 38.489 39.000 -0.131 0.000 0.975 136 F HN 0.077 nan 8.300 nan 0.000 0.476 137 N N 0.653 119.464 118.700 0.185 0.000 2.069 137 N HA -0.207 4.533 4.740 0.001 0.000 0.191 137 N C 1.810 177.287 175.510 -0.055 0.000 1.031 137 N CA 1.988 55.074 53.050 0.059 0.000 0.852 137 N CB -0.359 38.157 38.487 0.048 0.000 1.018 137 N HN 0.528 nan 8.380 nan 0.000 0.423 138 E N 0.065 120.241 120.200 -0.039 0.000 2.051 138 E HA -0.147 4.203 4.350 0.001 0.000 0.192 138 E C 1.637 178.194 176.600 -0.072 0.000 0.991 138 E CA 0.915 57.288 56.400 -0.045 0.000 0.799 138 E CB 0.009 29.694 29.700 -0.024 0.000 0.748 138 E HN 0.350 nan 8.360 nan 0.000 0.449 139 E N 0.504 120.643 120.200 -0.101 0.000 2.208 139 E HA -0.094 4.257 4.350 0.001 0.000 0.193 139 E C 2.216 178.720 176.600 -0.160 0.000 0.988 139 E CA 0.473 56.803 56.400 -0.116 0.000 0.828 139 E CB -0.048 29.584 29.700 -0.114 0.000 0.763 139 E HN 0.316 nan 8.360 nan 0.000 0.478 140 L N 0.304 121.377 121.223 -0.250 0.000 2.056 140 L HA -0.093 4.247 4.340 0.001 0.000 0.207 140 L C 2.497 179.332 176.870 -0.058 0.000 1.078 140 L CA 0.691 55.380 54.840 -0.251 0.000 0.749 140 L CB -0.279 41.491 42.059 -0.482 0.000 0.901 140 L HN 0.087 nan 8.230 nan 0.000 0.433 141 I N 0.153 120.666 120.570 -0.095 0.000 2.208 141 I HA -0.323 3.847 4.170 0.001 0.000 0.245 141 I C 2.173 178.284 176.117 -0.010 0.000 1.097 141 I CA 1.166 62.437 61.300 -0.047 0.000 1.363 141 I CB -0.241 37.727 38.000 -0.054 0.000 1.051 141 I HN 0.377 nan 8.210 nan 0.000 0.413 142 N N 0.536 119.214 118.700 -0.036 0.000 2.142 142 N HA -0.172 4.568 4.740 0.001 0.000 0.186 142 N C 1.765 177.246 175.510 -0.049 0.000 1.023 142 N CA 1.044 54.072 53.050 -0.036 0.000 0.852 142 N CB -0.554 37.911 38.487 -0.036 0.000 0.998 142 N HN 0.218 nan 8.380 nan 0.000 0.424 143 L N 1.458 122.638 121.223 -0.071 0.000 2.012 143 L HA -0.169 4.172 4.340 0.001 0.000 0.210 143 L C 2.025 178.776 176.870 -0.198 0.000 1.073 143 L CA 1.880 56.637 54.840 -0.139 0.000 0.748 143 L CB -0.888 41.053 42.059 -0.197 0.000 0.891 143 L HN 0.297 nan 8.230 nan 0.000 0.431 144 H N -0.564 118.438 119.070 -0.114 0.000 2.423 144 H HA -0.059 4.497 4.556 0.000 0.000 0.297 144 H C 2.380 177.658 175.328 -0.083 0.000 1.075 144 H CA 1.437 57.432 56.048 -0.089 0.000 1.342 144 H CB 0.121 29.828 29.762 -0.092 0.000 1.395 144 H HN 0.407 nan 8.280 nan 0.000 0.530 145 R N 0.097 120.600 120.500 0.005 0.000 2.073 145 R HA -0.086 4.255 4.340 0.001 0.000 0.234 145 R C 2.740 178.979 176.300 -0.103 0.000 1.134 145 R CA 1.026 57.100 56.100 -0.044 0.000 0.952 145 R CB -0.469 29.807 30.300 -0.040 0.000 0.850 145 R HN 0.268 nan 8.270 nan 0.000 0.433 146 G N 0.591 109.326 108.800 -0.108 0.000 2.459 146 G HA2 -0.369 3.591 3.960 0.001 0.000 0.217 146 G HA3 -0.369 3.591 3.960 0.001 0.000 0.217 146 G C 1.369 176.158 174.900 -0.185 0.000 1.183 146 G CA 0.986 45.998 45.100 -0.146 0.000 0.776 146 G HN 0.275 nan 8.290 nan 0.000 0.552 147 Q N 0.678 120.386 119.800 -0.153 0.000 2.124 147 Q HA 0.054 4.395 4.340 0.001 0.000 0.202 147 Q C 2.536 178.459 176.000 -0.128 0.000 0.977 147 Q CA 2.109 57.829 55.803 -0.138 0.000 0.850 147 Q CB -0.954 27.691 28.738 -0.155 0.000 0.901 147 Q HN 0.325 nan 8.270 nan 0.000 0.429 148 G N 0.380 109.113 108.800 -0.113 0.000 2.418 148 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 148 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 148 G C 1.351 176.154 174.900 -0.161 0.000 1.158 148 G CA 0.897 45.951 45.100 -0.078 0.000 0.771 148 G HN 0.377 nan 8.290 nan 0.000 0.545 149 L N 0.041 121.059 121.223 -0.342 0.000 2.027 149 L HA -0.049 4.291 4.340 0.001 0.000 0.206 149 L C 2.590 178.882 176.870 -0.964 0.000 1.074 149 L CA 1.285 55.678 54.840 -0.745 0.000 0.745 149 L CB -0.396 41.090 42.059 -0.955 0.000 0.898 149 L HN 0.142 nan 8.230 nan 0.000 0.433 150 D N 0.536 120.573 120.400 -0.605 0.000 2.104 150 D HA -0.192 4.448 4.640 0.001 0.000 0.194 150 D C 2.183 178.443 176.300 -0.067 0.000 0.994 150 D CA 1.395 55.228 54.000 -0.277 0.000 0.830 150 D CB -0.017 40.712 40.800 -0.118 0.000 0.959 150 D HN 0.223 nan 8.370 nan 0.000 0.452 151 I N -0.560 119.976 120.570 -0.056 0.000 2.179 151 I HA -0.278 3.892 4.170 0.001 0.000 0.242 151 I C 2.163 178.348 176.117 0.113 0.000 1.088 151 I CA 0.885 62.203 61.300 0.030 0.000 1.357 151 I CB -0.305 37.715 38.000 0.034 0.000 1.051 151 I HN 0.081 nan 8.210 nan 0.000 0.409 152 Y N 0.806 121.119 120.300 0.022 0.000 2.114 152 Y HA -0.296 4.254 4.550 0.001 0.000 0.284 152 Y C 2.296 178.412 175.900 0.361 0.000 1.143 152 Y CA 1.758 59.992 58.100 0.222 0.000 1.135 152 Y CB -0.228 38.260 38.460 0.046 0.000 0.980 152 Y HN 0.110 nan 8.280 nan 0.000 0.499 153 W N 0.728 122.238 121.300 0.349 0.000 2.321 153 W HA -0.217 4.443 4.660 0.000 0.000 0.306 153 W C 2.714 179.300 176.519 0.111 0.000 1.217 153 W CA 1.718 59.204 57.345 0.236 0.000 1.257 153 W CB -1.270 28.297 29.460 0.179 0.000 1.145 153 W HN 0.157 nan 8.180 nan 0.000 0.509 154 R N 0.568 121.249 120.500 0.302 0.000 2.066 154 R HA -0.137 4.204 4.340 0.001 0.000 0.232 154 R C 1.429 177.723 176.300 -0.009 0.000 1.131 154 R CA 2.015 58.194 56.100 0.132 0.000 0.955 154 R CB -0.518 29.841 30.300 0.098 0.000 0.851 154 R HN -0.065 nan 8.270 nan 0.000 0.432 155 D N -0.603 119.737 120.400 -0.100 0.000 2.317 155 D HA -0.063 4.577 4.640 0.001 0.000 0.211 155 D C 0.566 176.420 176.300 -0.742 0.000 0.966 155 D CA 0.875 54.641 54.000 -0.391 0.000 0.876 155 D CB 0.122 40.650 40.800 -0.453 0.000 0.927 155 D HN 0.249 nan 8.370 nan 0.000 0.519 156 F N -0.067 119.750 119.950 -0.221 0.000 2.654 156 F HA 0.233 4.760 4.527 0.001 0.000 0.303 156 F C 0.497 176.261 175.800 -0.060 0.000 1.099 156 F CA -0.798 57.066 58.000 -0.226 0.000 1.270 156 F CB 0.152 38.815 39.000 -0.562 0.000 1.024 156 F HN -0.183 nan 8.300 nan 0.000 0.548 157 L N 4.349 125.605 121.223 0.055 0.000 2.525 157 L HA 0.101 4.441 4.340 0.001 0.000 0.278 157 L C -1.383 175.508 176.870 0.035 0.000 1.218 157 L CA -0.769 54.110 54.840 0.064 0.000 0.878 157 L CB 0.278 42.355 42.059 0.029 0.000 1.127 157 L HN -0.110 nan 8.230 nan 0.000 0.492 158 P HA 0.017 nan 4.420 nan 0.000 0.254 158 P C 0.639 177.995 177.300 0.094 0.000 1.494 158 P CA -0.019 63.117 63.100 0.061 0.000 0.961 158 P CB 0.244 31.973 31.700 0.049 0.000 1.493 159 E N 0.772 121.057 120.200 0.142 0.000 2.130 159 E HA -0.125 4.225 4.350 0.001 0.000 0.196 159 E C 0.113 176.807 176.600 0.157 0.000 0.998 159 E CA 0.973 57.476 56.400 0.173 0.000 0.806 159 E CB -0.015 29.843 29.700 0.264 0.000 0.738 159 E HN 0.326 nan 8.360 nan 0.000 0.459 160 I N 1.571 122.238 120.570 0.162 0.000 2.512 160 I HA 0.226 4.397 4.170 0.001 0.000 0.287 160 I C -0.904 175.161 176.117 -0.088 0.000 1.069 160 I CA -0.822 60.512 61.300 0.057 0.000 1.056 160 I CB 2.091 40.169 38.000 0.130 0.000 1.229 160 I HN -0.055 nan 8.210 nan 0.000 0.429 161 I N 7.796 128.288 120.570 -0.129 0.000 2.330 161 I HA 0.330 4.500 4.170 0.001 0.000 0.286 161 I C -2.045 173.889 176.117 -0.306 0.000 1.025 161 I CA -2.246 58.949 61.300 -0.174 0.000 1.197 161 I CB 0.586 38.550 38.000 -0.061 0.000 1.358 161 I HN 0.249 nan 8.210 nan 0.000 0.467 162 P HA 0.207 nan 4.420 nan 0.000 0.274 162 P C 0.082 177.177 177.300 -0.341 0.000 1.231 162 P CA -0.042 62.671 63.100 -0.645 0.000 0.790 162 P CB 0.805 31.714 31.700 -1.318 0.000 0.951 163 T N -1.939 112.475 114.554 -0.232 0.000 2.810 163 T HA 0.102 4.452 4.350 0.001 0.000 0.277 163 T C 1.314 175.952 174.700 -0.102 0.000 0.973 163 T CA -0.395 61.617 62.100 -0.147 0.000 0.949 163 T CB 0.625 69.443 68.868 -0.083 0.000 1.075 163 T HN 0.501 nan 8.240 nan 0.000 0.537 164 Q N -0.160 119.581 119.800 -0.098 0.000 2.124 164 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 164 Q C 2.146 178.225 176.000 0.132 0.000 0.977 164 Q CA 1.890 57.657 55.803 -0.060 0.000 0.850 164 Q CB -0.165 28.517 28.738 -0.092 0.000 0.901 164 Q HN 0.912 nan 8.270 nan 0.000 0.429 165 E N 0.017 120.279 120.200 0.104 0.000 2.051 165 E HA -0.215 4.136 4.350 0.001 0.000 0.192 165 E C 2.019 178.715 176.600 0.161 0.000 0.991 165 E CA 1.350 57.834 56.400 0.141 0.000 0.799 165 E CB -0.121 29.637 29.700 0.097 0.000 0.748 165 E HN 0.428 nan 8.360 nan 0.000 0.449 166 M N -0.237 119.435 119.600 0.121 0.000 2.086 166 M HA -0.166 4.314 4.480 0.001 0.000 0.261 166 M C 2.287 178.790 176.300 0.340 0.000 1.067 166 M CA 1.772 57.181 55.300 0.182 0.000 1.116 166 M CB -0.510 32.104 32.600 0.023 0.000 1.348 166 M HN 0.265 nan 8.290 nan 0.000 0.407 167 Y N 1.351 121.744 120.300 0.155 0.000 2.114 167 Y HA -0.264 4.286 4.550 0.000 0.000 0.282 167 Y C 1.923 177.988 175.900 0.275 0.000 1.165 167 Y CA 1.823 60.089 58.100 0.277 0.000 1.148 167 Y CB -0.352 38.188 38.460 0.134 0.000 0.972 167 Y HN 0.079 nan 8.280 nan 0.000 0.504 168 L N 0.274 121.710 121.223 0.355 0.000 2.083 168 L HA -0.258 4.082 4.340 0.001 0.000 0.209 168 L C 2.161 179.095 176.870 0.107 0.000 1.083 168 L CA 1.304 56.288 54.840 0.239 0.000 0.752 168 L CB -0.659 41.592 42.059 0.321 0.000 0.899 168 L HN 0.306 nan 8.230 nan 0.000 0.433 169 N N -0.319 118.460 118.700 0.131 0.000 2.142 169 N HA -0.192 4.548 4.740 0.001 0.000 0.186 169 N C 1.830 177.366 175.510 0.044 0.000 1.023 169 N CA 1.190 54.295 53.050 0.093 0.000 0.852 169 N CB -0.266 38.292 38.487 0.117 0.000 0.998 169 N HN 0.258 nan 8.380 nan 0.000 0.424 170 M N 0.925 120.556 119.600 0.051 0.000 2.086 170 M HA -0.083 4.397 4.480 0.001 0.000 0.261 170 M C 1.637 177.865 176.300 -0.119 0.000 1.067 170 M CA 1.253 56.516 55.300 -0.061 0.000 1.116 170 M CB -0.461 32.088 32.600 -0.085 0.000 1.348 170 M HN -0.119 nan 8.290 nan 0.000 0.407 171 V N 0.982 120.787 119.914 -0.181 0.000 2.343 171 V HA -0.313 3.808 4.120 0.001 0.000 0.247 171 V C 2.752 178.821 176.094 -0.041 0.000 1.051 171 V CA 1.511 63.724 62.300 -0.145 0.000 1.036 171 V CB -0.727 30.981 31.823 -0.192 0.000 0.654 171 V HN 0.476 nan 8.190 nan 0.000 0.451 172 M N -0.206 119.383 119.600 -0.018 0.000 2.106 172 M HA -0.180 4.300 4.480 0.001 0.000 0.259 172 M C 2.104 178.404 176.300 -0.000 0.000 1.068 172 M CA 1.733 57.035 55.300 0.003 0.000 1.100 172 M CB -1.321 31.290 32.600 0.019 0.000 1.351 172 M HN 0.464 nan 8.290 nan 0.000 0.404 173 N N -0.058 118.632 118.700 -0.018 0.000 2.092 173 N HA -0.131 4.609 4.740 0.001 0.000 0.189 173 N C 1.757 177.245 175.510 -0.037 0.000 1.040 173 N CA 1.095 54.127 53.050 -0.029 0.000 0.845 173 N CB -0.217 38.242 38.487 -0.047 0.000 1.017 173 N HN 0.390 nan 8.380 nan 0.000 0.426 174 K N 0.521 120.890 120.400 -0.052 0.000 1.984 174 K HA -0.044 4.276 4.320 0.001 0.000 0.209 174 K C 1.732 178.332 176.600 0.000 0.000 1.046 174 K CA 1.539 57.794 56.287 -0.053 0.000 0.934 174 K CB -0.046 32.411 32.500 -0.072 0.000 0.717 174 K HN 0.052 nan 8.250 nan 0.000 0.438 175 T N -0.394 114.190 114.554 0.050 0.000 2.894 175 T HA 0.012 4.363 4.350 0.001 0.000 0.258 175 T C 1.773 176.623 174.700 0.250 0.000 1.043 175 T CA 0.911 63.105 62.100 0.157 0.000 1.141 175 T CB -0.236 68.756 68.868 0.207 0.000 0.873 175 T HN 0.485 nan 8.240 nan 0.000 0.449 176 G N 1.144 110.033 108.800 0.149 0.000 2.479 176 G HA2 -0.036 3.924 3.960 0.001 0.000 0.220 176 G HA3 -0.036 3.924 3.960 0.001 0.000 0.220 176 G C 1.623 176.607 174.900 0.140 0.000 1.115 176 G CA 0.924 46.119 45.100 0.159 0.000 0.757 176 G HN 0.545 nan 8.290 nan 0.000 0.560 177 G N 1.266 110.100 108.800 0.055 0.000 2.586 177 G HA2 -0.263 3.698 3.960 0.001 0.000 0.218 177 G HA3 -0.263 3.698 3.960 0.001 0.000 0.218 177 G C 1.725 176.595 174.900 -0.049 0.000 1.216 177 G CA 0.920 46.010 45.100 -0.017 0.000 0.786 177 G HN 0.422 nan 8.290 nan 0.000 0.583 178 L N -0.866 120.296 121.223 -0.102 0.000 2.201 178 L HA 0.075 4.416 4.340 0.001 0.000 0.212 178 L C 2.747 179.471 176.870 -0.243 0.000 1.105 178 L CA 0.353 55.067 54.840 -0.210 0.000 0.775 178 L CB -0.311 41.562 42.059 -0.309 0.000 0.913 178 L HN 0.133 nan 8.230 nan 0.000 0.440 179 F N 0.194 120.081 119.950 -0.105 0.000 2.084 179 F HA -0.168 4.360 4.527 0.000 0.000 0.296 179 F C 2.756 178.526 175.800 -0.050 0.000 1.111 179 F CA 1.410 59.359 58.000 -0.084 0.000 1.224 179 F CB -0.361 38.593 39.000 -0.078 0.000 0.991 179 F HN -0.119 nan 8.300 nan 0.000 0.471 180 R N -0.074 120.515 120.500 0.149 0.000 2.092 180 R HA -0.120 4.220 4.340 0.001 0.000 0.231 180 R C 2.261 178.576 176.300 0.025 0.000 1.119 180 R CA 1.107 57.254 56.100 0.078 0.000 0.970 180 R CB -0.720 29.611 30.300 0.051 0.000 0.864 180 R HN 0.332 nan 8.270 nan 0.000 0.440 181 L N 0.549 121.761 121.223 -0.019 0.000 2.017 181 L HA -0.190 4.151 4.340 0.001 0.000 0.208 181 L C 1.944 178.799 176.870 -0.026 0.000 1.073 181 L CA 1.604 56.417 54.840 -0.045 0.000 0.745 181 L CB -0.350 41.643 42.059 -0.110 0.000 0.894 181 L HN 0.162 nan 8.230 nan 0.000 0.432 182 T N 0.140 114.669 114.554 -0.041 0.000 2.652 182 T HA -0.243 4.107 4.350 0.001 0.000 0.267 182 T C 1.715 176.421 174.700 0.009 0.000 1.039 182 T CA 1.830 63.913 62.100 -0.029 0.000 1.153 182 T CB -0.375 68.454 68.868 -0.067 0.000 0.863 182 T HN 0.233 nan 8.240 nan 0.000 0.428 183 L N 1.049 122.293 121.223 0.035 0.000 2.017 183 L HA -0.001 4.340 4.340 0.001 0.000 0.208 183 L C 2.560 179.449 176.870 0.031 0.000 1.073 183 L CA 1.689 56.558 54.840 0.047 0.000 0.745 183 L CB -0.409 41.699 42.059 0.083 0.000 0.894 183 L HN 0.081 nan 8.230 nan 0.000 0.432 184 R N -0.817 119.700 120.500 0.029 0.000 2.091 184 R HA -0.160 4.180 4.340 0.001 0.000 0.238 184 R C 2.275 178.585 176.300 0.017 0.000 1.136 184 R CA 1.706 57.819 56.100 0.022 0.000 0.959 184 R CB -0.627 29.684 30.300 0.019 0.000 0.856 184 R HN 0.380 nan 8.270 nan 0.000 0.437 185 L N 0.172 121.406 121.223 0.018 0.000 2.012 185 L HA -0.219 4.121 4.340 0.001 0.000 0.210 185 L C 2.584 179.464 176.870 0.017 0.000 1.073 185 L CA 1.497 56.349 54.840 0.020 0.000 0.748 185 L CB -0.345 41.730 42.059 0.027 0.000 0.891 185 L HN 0.264 nan 8.230 nan 0.000 0.431 186 M N -0.839 118.770 119.600 0.015 0.000 2.117 186 M HA -0.213 4.267 4.480 0.001 0.000 0.262 186 M C 2.059 178.364 176.300 0.007 0.000 1.065 186 M CA 1.684 56.990 55.300 0.011 0.000 1.114 186 M CB -0.312 32.294 32.600 0.011 0.000 1.361 186 M HN 0.193 nan 8.290 nan 0.000 0.408 187 E N 0.006 120.211 120.200 0.007 0.000 2.268 187 E HA -0.099 4.252 4.350 0.001 0.000 0.195 187 E C 1.869 178.473 176.600 0.006 0.000 0.995 187 E CA 0.923 57.324 56.400 0.002 0.000 0.836 187 E CB -0.016 29.684 29.700 0.001 0.000 0.763 187 E HN 0.493 nan 8.360 nan 0.000 0.491 188 A N 0.420 123.246 122.820 0.011 0.000 2.072 188 A HA 0.031 4.351 4.320 0.001 0.000 0.216 188 A C 1.937 179.529 177.584 0.015 0.000 1.156 188 A CA 0.384 52.429 52.037 0.014 0.000 0.701 188 A CB -0.021 18.988 19.000 0.015 0.000 0.816 188 A HN 0.113 nan 8.150 nan 0.000 0.458 189 L N -0.708 120.523 121.223 0.013 0.000 2.416 189 L HA 0.094 4.435 4.340 0.001 0.000 0.216 189 L C 1.342 178.217 176.870 0.010 0.000 1.098 189 L CA 0.026 54.874 54.840 0.015 0.000 0.840 189 L CB -0.096 41.972 42.059 0.016 0.000 0.981 189 L HN 0.313 nan 8.230 nan 0.000 0.462 190 S N 1.621 117.324 115.700 0.005 0.000 2.563 190 S HA 0.035 4.506 4.470 0.001 0.000 0.294 190 S C -1.286 173.315 174.600 0.001 0.000 1.279 190 S CA -0.889 57.311 58.200 -0.001 0.000 1.069 190 S CB 0.525 63.720 63.200 -0.007 0.000 0.828 190 S HN 0.108 nan 8.310 nan 0.000 0.497 191 P HA 0.130 nan 4.420 nan 0.000 0.266 191 P C 1.020 178.318 177.300 -0.003 0.000 1.381 191 P CA -0.091 63.009 63.100 0.000 0.000 0.940 191 P CB -0.158 31.543 31.700 0.001 0.000 1.435 192 S N 0.089 115.786 115.700 -0.006 0.000 2.322 192 S HA -0.045 4.425 4.470 0.001 0.000 0.346 192 S C 0.858 175.455 174.600 -0.006 0.000 1.313 192 S CA 1.134 59.328 58.200 -0.009 0.000 2.356 192 S CB -1.303 61.888 63.200 -0.015 0.000 0.903 192 S HN 0.506 nan 8.310 nan 0.000 0.364 197 H N -0.952 118.120 119.070 0.004 0.000 2.834 197 H HA 0.847 5.403 4.556 0.000 0.000 0.369 197 H C -0.414 174.920 175.328 0.010 0.000 1.174 197 H CA -0.145 55.908 56.048 0.009 0.000 1.165 197 H CB 1.508 31.277 29.762 0.012 0.000 1.820 197 H HN 0.689 nan 8.280 nan 0.000 0.558 198 S N -0.232 115.417 115.700 -0.085 0.000 2.713 198 S HA 0.335 4.805 4.470 0.001 0.000 0.277 198 S C 0.850 175.362 174.600 -0.147 0.000 1.168 198 S CA -0.837 57.291 58.200 -0.119 0.000 0.994 198 S CB 0.302 63.503 63.200 0.001 0.000 1.054 198 S HN 0.586 nan 8.310 nan 0.000 0.555 199 L N 2.380 123.568 121.223 -0.058 0.000 2.741 199 L HA 0.228 4.569 4.340 0.001 0.000 0.237 199 L C 1.415 178.375 176.870 0.150 0.000 1.178 199 L CA -0.106 54.753 54.840 0.032 0.000 0.973 199 L CB 0.138 42.194 42.059 -0.005 0.000 1.255 199 L HN 0.495 nan 8.230 nan 0.000 0.498 200 V N 1.144 121.120 119.914 0.104 0.000 2.237 200 V HA -0.173 3.948 4.120 0.001 0.000 0.245 200 V C -0.161 175.997 176.094 0.106 0.000 1.046 200 V CA 2.078 64.437 62.300 0.099 0.000 1.007 200 V CB -1.137 30.729 31.823 0.072 0.000 0.638 200 V HN 0.366 nan 8.190 nan 0.000 0.445 201 P HA -0.212 nan 4.420 nan 0.000 0.216 201 P C 1.717 179.077 177.300 0.099 0.000 1.153 201 P CA 1.646 64.807 63.100 0.101 0.000 0.858 201 P CB -0.145 31.631 31.700 0.128 0.000 0.789 202 F N -0.157 119.804 119.950 0.018 0.000 2.102 202 F HA -0.176 4.351 4.527 0.001 0.000 0.298 202 F C 2.001 177.780 175.800 -0.035 0.000 1.105 202 F CA 1.272 59.270 58.000 -0.003 0.000 1.239 202 F CB -0.874 38.130 39.000 0.005 0.000 0.991 202 F HN -0.247 nan 8.300 nan 0.000 0.474 203 I N 1.103 121.707 120.570 0.057 0.000 2.361 203 I HA -0.287 3.883 4.170 0.001 0.000 0.251 203 I C 1.973 177.951 176.117 -0.231 0.000 1.133 203 I CA 1.530 62.786 61.300 -0.072 0.000 1.413 203 I CB -0.974 37.109 38.000 0.138 0.000 1.073 203 I HN 0.235 nan 8.210 nan 0.000 0.424 204 N N -0.474 118.148 118.700 -0.129 0.000 2.120 204 N HA -0.197 4.543 4.740 0.001 0.000 0.188 204 N C 1.729 177.116 175.510 -0.206 0.000 1.024 204 N CA 0.999 53.974 53.050 -0.125 0.000 0.852 204 N CB -0.115 38.347 38.487 -0.041 0.000 1.003 204 N HN 0.217 nan 8.380 nan 0.000 0.424 205 L N 0.791 121.867 121.223 -0.246 0.000 2.109 205 L HA 0.027 4.367 4.340 0.001 0.000 0.207 205 L C 1.837 178.485 176.870 -0.371 0.000 1.086 205 L CA 1.120 55.804 54.840 -0.261 0.000 0.760 205 L CB -0.532 41.381 42.059 -0.243 0.000 0.910 205 L HN 0.144 nan 8.230 nan 0.000 0.437 206 L N -0.356 120.527 121.223 -0.566 0.000 2.083 206 L HA -0.014 4.326 4.340 0.001 0.000 0.209 206 L C 2.311 178.816 176.870 -0.610 0.000 1.083 206 L CA 1.953 56.441 54.840 -0.586 0.000 0.752 206 L CB -1.201 40.453 42.059 -0.674 0.000 0.899 206 L HN 0.315 nan 8.230 nan 0.000 0.433 207 G N -0.450 107.862 108.800 -0.814 0.000 2.421 207 G HA2 -0.246 3.715 3.960 0.001 0.000 0.216 207 G HA3 -0.246 3.715 3.960 0.001 0.000 0.216 207 G C 1.615 176.383 174.900 -0.220 0.000 1.171 207 G CA 1.156 45.777 45.100 -0.800 0.000 0.775 207 G HN 0.449 nan 8.290 nan 0.000 0.543 208 I N 0.443 120.916 120.570 -0.161 0.000 2.252 208 I HA -0.098 4.072 4.170 0.001 0.000 0.245 208 I C 2.625 178.719 176.117 -0.038 0.000 1.102 208 I CA 0.743 62.022 61.300 -0.035 0.000 1.385 208 I CB -0.152 37.846 38.000 -0.003 0.000 1.064 208 I HN 0.130 nan 8.210 nan 0.000 0.414 209 I N -0.385 120.125 120.570 -0.101 0.000 2.286 209 I HA -0.331 3.839 4.170 0.001 0.000 0.248 209 I C 2.580 178.651 176.117 -0.076 0.000 1.115 209 I CA 1.433 62.672 61.300 -0.101 0.000 1.392 209 I CB -0.407 37.516 38.000 -0.129 0.000 1.065 209 I HN 0.228 nan 8.210 nan 0.000 0.418 210 Y N 1.647 121.872 120.300 -0.125 0.000 2.128 210 Y HA -0.370 4.180 4.550 0.000 0.000 0.284 210 Y C 2.696 178.615 175.900 0.032 0.000 1.154 210 Y CA 2.204 60.283 58.100 -0.035 0.000 1.149 210 Y CB -0.300 38.156 38.460 -0.006 0.000 0.976 210 Y HN 0.114 nan 8.280 nan 0.000 0.505 211 Q N 0.522 120.365 119.800 0.073 0.000 2.046 211 Q HA -0.116 4.224 4.340 0.001 0.000 0.200 211 Q C 2.102 178.128 176.000 0.042 0.000 0.975 211 Q CA 2.294 58.151 55.803 0.090 0.000 0.836 211 Q CB -0.494 28.366 28.738 0.204 0.000 0.896 211 Q HN 0.684 nan 8.270 nan 0.000 0.428 212 I N -0.159 120.420 120.570 0.015 0.000 2.315 212 I HA -0.242 3.928 4.170 0.001 0.000 0.248 212 I C 2.525 178.598 176.117 -0.074 0.000 1.117 212 I CA 1.232 62.492 61.300 -0.067 0.000 1.404 212 I CB -0.312 37.467 38.000 -0.369 0.000 1.071 212 I HN 0.210 nan 8.210 nan 0.000 0.419 213 R N 1.044 121.471 120.500 -0.122 0.000 2.092 213 R HA -0.225 4.115 4.340 0.001 0.000 0.231 213 R C 2.014 178.283 176.300 -0.052 0.000 1.119 213 R CA 2.016 58.068 56.100 -0.080 0.000 0.970 213 R CB -0.204 30.013 30.300 -0.139 0.000 0.864 213 R HN 0.245 nan 8.270 nan 0.000 0.440 214 D N 0.328 120.610 120.400 -0.197 0.000 2.117 214 D HA -0.163 4.477 4.640 0.001 0.000 0.197 214 D C 1.189 177.483 176.300 -0.009 0.000 0.987 214 D CA 1.556 55.453 54.000 -0.171 0.000 0.829 214 D CB -0.193 40.436 40.800 -0.285 0.000 0.961 214 D HN 0.197 nan 8.370 nan 0.000 0.460 215 D N -1.076 119.356 120.400 0.054 0.000 2.117 215 D HA -0.182 4.459 4.640 0.001 0.000 0.197 215 D C 1.749 178.117 176.300 0.114 0.000 0.987 215 D CA 0.798 54.865 54.000 0.111 0.000 0.829 215 D CB -0.547 40.362 40.800 0.182 0.000 0.961 215 D HN 0.340 nan 8.370 nan 0.000 0.460 216 Y N 1.182 121.474 120.300 -0.015 0.000 2.114 216 Y HA -0.109 4.441 4.550 0.001 0.000 0.284 216 Y C 2.088 177.975 175.900 -0.023 0.000 1.143 216 Y CA 1.358 59.446 58.100 -0.020 0.000 1.135 216 Y CB -0.412 38.023 38.460 -0.043 0.000 0.980 216 Y HN -0.083 nan 8.280 nan 0.000 0.499 217 L N 0.480 121.672 121.223 -0.051 0.000 2.275 217 L HA -0.203 4.138 4.340 0.001 0.000 0.215 217 L C 2.454 179.255 176.870 -0.114 0.000 1.119 217 L CA 1.216 55.968 54.840 -0.146 0.000 0.790 217 L CB -0.705 41.334 42.059 -0.033 0.000 0.919 217 L HN 0.397 nan 8.230 nan 0.000 0.443 218 N N 0.809 119.474 118.700 -0.059 0.000 2.166 218 N HA -0.169 4.571 4.740 0.001 0.000 0.186 218 N C 1.842 177.326 175.510 -0.043 0.000 1.019 218 N CA 1.317 54.352 53.050 -0.026 0.000 0.856 218 N CB 0.153 38.641 38.487 0.001 0.000 0.993 218 N HN 0.351 nan 8.380 nan 0.000 0.426 219 L N 0.230 121.397 121.223 -0.093 0.000 2.102 219 L HA -0.007 4.333 4.340 0.001 0.000 0.202 219 L C 2.513 179.318 176.870 -0.109 0.000 1.076 219 L CA 0.578 55.364 54.840 -0.089 0.000 0.761 219 L CB -0.420 41.575 42.059 -0.107 0.000 0.921 219 L HN -0.002 nan 8.230 nan 0.000 0.444 220 K N 0.758 120.981 120.400 -0.295 0.000 2.057 220 K HA -0.181 4.139 4.320 0.001 0.000 0.207 220 K C 1.679 178.180 176.600 -0.164 0.000 1.049 220 K CA 1.594 57.680 56.287 -0.336 0.000 0.931 220 K CB -0.253 31.842 32.500 -0.676 0.000 0.714 220 K HN 0.153 nan 8.250 nan 0.000 0.440 221 D N -0.620 119.707 120.400 -0.121 0.000 2.123 221 D HA -0.174 4.467 4.640 0.001 0.000 0.196 221 D C 1.708 177.990 176.300 -0.031 0.000 0.992 221 D CA 1.002 54.960 54.000 -0.070 0.000 0.833 221 D CB -0.260 40.507 40.800 -0.054 0.000 0.954 221 D HN 0.212 nan 8.370 nan 0.000 0.455 222 F N 1.251 121.125 119.950 -0.127 0.000 2.146 222 F HA -0.120 4.407 4.527 0.000 0.000 0.298 222 F C 2.467 178.212 175.800 -0.091 0.000 1.096 222 F CA 1.276 59.214 58.000 -0.104 0.000 1.275 222 F CB -0.107 38.850 39.000 -0.073 0.000 1.008 222 F HN -0.130 nan 8.300 nan 0.000 0.480 223 Q N -0.070 119.778 119.800 0.080 0.000 2.135 223 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 223 Q C 2.079 178.018 176.000 -0.102 0.000 0.981 223 Q CA 2.018 57.814 55.803 -0.012 0.000 0.856 223 Q CB -0.115 28.605 28.738 -0.030 0.000 0.902 223 Q HN 0.494 nan 8.270 nan 0.000 0.425 224 M N -0.882 118.653 119.600 -0.110 0.000 2.287 224 M HA 0.022 4.503 4.480 0.001 0.000 0.266 224 M C 0.628 176.841 176.300 -0.145 0.000 1.079 224 M CA 0.469 55.704 55.300 -0.109 0.000 1.146 224 M CB 0.664 33.210 32.600 -0.090 0.000 1.374 224 M HN -0.030 nan 8.290 nan 0.000 0.435 225 S N -1.012 114.570 115.700 -0.197 0.000 2.649 225 S HA 0.288 4.758 4.470 0.001 0.000 0.274 225 S C 0.285 174.665 174.600 -0.367 0.000 1.176 225 S CA -0.768 57.290 58.200 -0.236 0.000 0.988 225 S CB 1.562 64.663 63.200 -0.165 0.000 1.071 225 S HN 0.122 nan 8.310 nan 0.000 0.478 226 S N 3.059 118.481 115.700 -0.463 0.000 2.474 226 S HA 0.018 4.488 4.470 0.001 0.000 0.235 226 S C 0.994 175.389 174.600 -0.341 0.000 0.997 226 S CA 0.917 58.752 58.200 -0.609 0.000 0.949 226 S CB -0.139 62.756 63.200 -0.509 0.000 0.766 226 S HN 0.742 nan 8.310 nan 0.000 0.517 227 E N 0.327 120.370 120.200 -0.262 0.000 2.499 227 E HA 0.242 4.592 4.350 0.001 0.000 0.199 227 E C 1.297 177.753 176.600 -0.240 0.000 1.016 227 E CA 0.088 56.349 56.400 -0.232 0.000 0.933 227 E CB 0.267 29.883 29.700 -0.140 0.000 1.050 227 E HN 0.250 nan 8.360 nan 0.000 0.462 228 K N -1.028 119.228 120.400 -0.239 0.000 2.276 228 K HA 0.280 4.600 4.320 0.001 0.000 0.198 228 K C 0.729 177.200 176.600 -0.215 0.000 1.052 228 K CA 0.609 56.785 56.287 -0.185 0.000 0.984 228 K CB 0.901 33.318 32.500 -0.139 0.000 0.836 228 K HN 0.110 nan 8.250 nan 0.000 0.490 229 G N -1.107 107.535 108.800 -0.263 0.000 2.600 229 G HA2 0.370 4.330 3.960 0.001 0.000 0.293 229 G HA3 0.370 4.330 3.960 0.001 0.000 0.293 229 G C -0.758 174.004 174.900 -0.231 0.000 1.408 229 G CA -0.700 44.248 45.100 -0.254 0.000 0.782 229 G HN 0.012 nan 8.290 nan 0.000 0.482 230 F N 0.682 120.756 119.950 0.207 0.000 2.706 230 F HA 0.469 4.997 4.527 0.001 0.000 0.308 230 F C 1.829 177.555 175.800 -0.122 0.000 1.095 230 F CA 0.571 58.689 58.000 0.196 0.000 1.244 230 F CB 0.918 39.963 39.000 0.074 0.000 1.063 230 F HN 0.849 nan 8.300 nan 0.000 0.582 231 A N 1.204 124.025 122.820 0.001 0.000 2.745 231 A HA -0.360 3.960 4.320 0.001 0.000 0.296 231 A C 1.383 178.875 177.584 -0.153 0.000 1.500 231 A CA 1.064 52.960 52.037 -0.235 0.000 0.766 231 A CB -2.437 16.090 19.000 -0.789 0.000 1.030 231 A HN 0.523 nan 8.150 nan 0.000 0.489 232 E N 0.137 120.338 120.200 0.002 0.000 2.401 232 E HA -0.131 4.219 4.350 0.001 0.000 0.199 232 E C 1.169 177.757 176.600 -0.019 0.000 1.023 232 E CA 1.522 57.921 56.400 -0.002 0.000 0.859 232 E CB -0.080 29.646 29.700 0.044 0.000 0.780 232 E HN 0.669 nan 8.360 nan 0.000 0.523 233 D N -0.311 120.080 120.400 -0.016 0.000 2.219 233 D HA -0.111 4.529 4.640 0.001 0.000 0.205 233 D C 1.646 177.931 176.300 -0.025 0.000 0.970 233 D CA 0.852 54.852 54.000 -0.001 0.000 0.851 233 D CB -0.019 40.791 40.800 0.017 0.000 0.943 233 D HN 0.355 nan 8.370 nan 0.000 0.488 234 I N 0.379 120.908 120.570 -0.070 0.000 2.286 234 I HA -0.196 3.974 4.170 0.001 0.000 0.245 234 I C 2.133 178.211 176.117 -0.066 0.000 1.104 234 I CA 0.947 62.200 61.300 -0.079 0.000 1.397 234 I CB -0.271 37.650 38.000 -0.131 0.000 1.072 234 I HN -0.066 nan 8.210 nan 0.000 0.417 235 T N 0.244 114.754 114.554 -0.073 0.000 2.803 235 T HA -0.191 4.159 4.350 0.001 0.000 0.269 235 T C 1.643 176.319 174.700 -0.040 0.000 1.052 235 T CA 1.357 63.423 62.100 -0.057 0.000 1.136 235 T CB -0.258 68.576 68.868 -0.058 0.000 0.864 235 T HN 0.427 nan 8.240 nan 0.000 0.467 236 E N -0.003 120.180 120.200 -0.029 0.000 2.299 236 E HA 0.192 4.542 4.350 0.001 0.000 0.193 236 E C 1.619 178.212 176.600 -0.013 0.000 0.998 236 E CA 0.310 56.701 56.400 -0.016 0.000 0.851 236 E CB 0.001 29.701 29.700 0.001 0.000 0.795 236 E HN 0.513 nan 8.360 nan 0.000 0.492 237 G N 2.479 111.271 108.800 -0.014 0.000 2.136 237 G HA2 -0.347 3.613 3.960 0.001 0.000 0.242 237 G HA3 -0.347 3.613 3.960 0.001 0.000 0.242 237 G C 0.188 175.103 174.900 0.024 0.000 0.989 237 G CA 0.387 45.482 45.100 -0.008 0.000 0.682 237 G HN 0.207 nan 8.290 nan 0.000 0.522 238 K N 0.214 120.640 120.400 0.042 0.000 2.489 238 K HA 0.236 4.556 4.320 0.001 0.000 0.278 238 K C 0.764 177.431 176.600 0.113 0.000 1.000 238 K CA -0.435 55.907 56.287 0.091 0.000 1.012 238 K CB 0.045 32.601 32.500 0.093 0.000 0.903 238 K HN 0.029 nan 8.250 nan 0.000 0.485 239 L N 5.318 126.655 121.223 0.191 0.000 2.423 239 L HA 0.056 4.397 4.340 0.001 0.000 0.249 239 L C 0.457 177.476 176.870 0.248 0.000 1.276 239 L CA 0.361 55.315 54.840 0.191 0.000 1.199 239 L CB -1.061 41.164 42.059 0.276 0.000 1.407 239 L HN 0.703 nan 8.230 nan 0.000 0.410 240 S N -0.301 115.492 115.700 0.156 0.000 2.596 240 S HA 0.080 4.550 4.470 0.001 0.000 0.260 240 S C 1.236 175.797 174.600 -0.064 0.000 1.336 240 S CA -0.359 57.942 58.200 0.168 0.000 0.993 240 S CB 0.695 63.961 63.200 0.110 0.000 0.923 240 S HN 0.380 nan 8.310 nan 0.000 0.567 241 F N 2.438 122.172 119.950 -0.359 0.000 2.095 241 F HA 0.081 4.608 4.527 0.001 0.000 0.298 241 F C -1.074 174.540 175.800 -0.310 0.000 1.104 241 F CA 1.368 58.947 58.000 -0.701 0.000 1.232 241 F CB -1.393 37.255 39.000 -0.587 0.000 0.987 241 F HN 0.464 nan 8.300 nan 0.000 0.475 242 P HA -0.169 nan 4.420 nan 0.000 0.217 242 P C 2.053 179.298 177.300 -0.092 0.000 1.150 242 P CA 1.360 64.454 63.100 -0.011 0.000 0.832 242 P CB -0.055 31.694 31.700 0.081 0.000 0.787 243 I N -0.958 119.554 120.570 -0.096 0.000 2.202 243 I HA -0.148 4.022 4.170 0.001 0.000 0.242 243 I C 2.252 178.274 176.117 -0.158 0.000 1.091 243 I CA 1.402 62.644 61.300 -0.098 0.000 1.368 243 I CB -1.248 36.718 38.000 -0.057 0.000 1.058 243 I HN -0.142 nan 8.210 nan 0.000 0.410 244 V N 0.908 120.681 119.914 -0.234 0.000 2.287 244 V HA -0.322 3.798 4.120 0.001 0.000 0.248 244 V C 2.650 178.542 176.094 -0.336 0.000 1.053 244 V CA 2.170 64.291 62.300 -0.298 0.000 1.027 244 V CB -1.052 30.527 31.823 -0.407 0.000 0.646 244 V HN 0.507 nan 8.190 nan 0.000 0.447 245 H N 0.657 119.416 119.070 -0.519 0.000 2.353 245 H HA -0.153 4.403 4.556 0.000 0.000 0.300 245 H C 2.232 177.391 175.328 -0.281 0.000 1.090 245 H CA 2.112 57.858 56.048 -0.504 0.000 1.327 245 H CB -0.027 29.346 29.762 -0.648 0.000 1.383 245 H HN 0.384 nan 8.280 nan 0.000 0.508 246 A N 1.452 124.209 122.820 -0.104 0.000 1.877 246 A HA -0.090 4.231 4.320 0.001 0.000 0.216 246 A C 2.954 180.507 177.584 -0.052 0.000 1.186 246 A CA 1.303 53.305 52.037 -0.058 0.000 0.620 246 A CB -0.925 18.053 19.000 -0.036 0.000 0.822 246 A HN 0.432 nan 8.150 nan 0.000 0.443 247 L N -0.174 120.985 121.223 -0.107 0.000 2.046 247 L HA -0.213 4.128 4.340 0.001 0.000 0.208 247 L C 2.340 179.231 176.870 0.034 0.000 1.077 247 L CA 1.356 56.147 54.840 -0.082 0.000 0.747 247 L CB -0.586 41.370 42.059 -0.171 0.000 0.896 247 L HN 0.452 nan 8.230 nan 0.000 0.432 248 N N -0.417 118.222 118.700 -0.102 0.000 2.216 248 N HA -0.170 4.570 4.740 0.001 0.000 0.183 248 N C 1.812 177.243 175.510 -0.133 0.000 1.017 248 N CA 1.143 54.118 53.050 -0.125 0.000 0.861 248 N CB -0.199 38.166 38.487 -0.202 0.000 0.986 248 N HN 0.225 nan 8.380 nan 0.000 0.428 249 F N 2.743 122.462 119.950 -0.384 0.000 2.069 249 F HA -0.250 4.277 4.527 0.000 0.000 0.298 249 F C 2.663 178.367 175.800 -0.160 0.000 1.113 249 F CA 2.170 59.961 58.000 -0.348 0.000 1.214 249 F CB -0.781 37.933 39.000 -0.477 0.000 0.978 249 F HN 0.040 nan 8.300 nan 0.000 0.474 250 T N -1.106 113.556 114.554 0.180 0.000 2.665 250 T HA -0.329 4.021 4.350 0.001 0.000 0.268 250 T C 2.031 176.699 174.700 -0.052 0.000 1.035 250 T CA 1.824 63.994 62.100 0.117 0.000 1.151 250 T CB -0.809 68.203 68.868 0.240 0.000 0.862 250 T HN 0.461 nan 8.240 nan 0.000 0.438 251 K N 0.932 121.302 120.400 -0.049 0.000 2.032 251 K HA -0.144 4.176 4.320 0.001 0.000 0.209 251 K C 2.456 178.932 176.600 -0.206 0.000 1.048 251 K CA 1.884 58.037 56.287 -0.223 0.000 0.927 251 K CB -0.725 31.637 32.500 -0.230 0.000 0.712 251 K HN 0.351 nan 8.250 nan 0.000 0.441 252 T N 1.277 115.702 114.554 -0.216 0.000 2.720 252 T HA -0.064 4.286 4.350 0.001 0.000 0.268 252 T C 1.409 175.944 174.700 -0.275 0.000 1.037 252 T CA 1.277 63.236 62.100 -0.236 0.000 1.144 252 T CB -0.021 68.696 68.868 -0.253 0.000 0.864 252 T HN 0.189 nan 8.240 nan 0.000 0.444 253 K N 0.530 120.694 120.400 -0.392 0.000 2.487 253 K HA 0.208 4.528 4.320 0.001 0.000 0.192 253 K C 1.479 177.951 176.600 -0.213 0.000 1.027 253 K CA 0.442 56.510 56.287 -0.365 0.000 1.054 253 K CB -0.194 31.951 32.500 -0.591 0.000 0.824 253 K HN 0.492 nan 8.250 nan 0.000 0.510 254 G N 1.968 110.661 108.800 -0.179 0.000 2.160 254 G HA2 -0.309 3.652 3.960 0.001 0.000 0.251 254 G HA3 -0.309 3.652 3.960 0.001 0.000 0.251 254 G C -0.108 174.741 174.900 -0.085 0.000 1.008 254 G CA 0.029 45.055 45.100 -0.125 0.000 0.724 254 G HN 0.449 nan 8.290 nan 0.000 0.514 255 Q N 0.602 120.361 119.800 -0.068 0.000 2.837 255 Q HA 0.310 4.650 4.340 0.001 0.000 0.235 255 Q C 1.677 177.692 176.000 0.024 0.000 1.348 255 Q CA 0.312 56.116 55.803 0.002 0.000 0.990 255 Q CB 0.106 28.880 28.738 0.061 0.000 1.570 255 Q HN 0.426 nan 8.270 nan 0.000 0.575 256 T N 0.597 115.148 114.554 -0.006 0.000 2.684 256 T HA -0.222 4.129 4.350 0.001 0.000 0.267 256 T C 1.595 176.329 174.700 0.056 0.000 1.036 256 T CA 1.571 63.673 62.100 0.002 0.000 1.148 256 T CB 0.080 68.936 68.868 -0.020 0.000 0.863 256 T HN 0.475 nan 8.240 nan 0.000 0.436 257 E N 1.179 121.406 120.200 0.044 0.000 2.051 257 E HA -0.161 4.190 4.350 0.001 0.000 0.192 257 E C 2.313 178.952 176.600 0.065 0.000 0.991 257 E CA 1.456 57.885 56.400 0.048 0.000 0.799 257 E CB -0.245 29.475 29.700 0.034 0.000 0.748 257 E HN 0.452 nan 8.360 nan 0.000 0.449 258 Q N -1.139 118.707 119.800 0.077 0.000 2.084 258 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 258 Q C 2.083 178.137 176.000 0.090 0.000 0.978 258 Q CA 1.857 57.708 55.803 0.081 0.000 0.844 258 Q CB -0.475 28.323 28.738 0.101 0.000 0.898 258 Q HN 0.531 nan 8.270 nan 0.000 0.426 259 H N 0.414 119.493 119.070 0.014 0.000 2.290 259 H HA -0.097 4.459 4.556 0.000 0.000 0.298 259 H C 1.450 176.775 175.328 -0.006 0.000 1.087 259 H CA 2.174 58.221 56.048 -0.001 0.000 1.291 259 H CB -0.062 29.691 29.762 -0.016 0.000 1.369 259 H HN 0.326 nan 8.280 nan 0.000 0.492 260 N N -0.749 118.037 118.700 0.144 0.000 2.188 260 N HA -0.161 4.579 4.740 0.001 0.000 0.184 260 N C 1.784 177.297 175.510 0.005 0.000 1.018 260 N CA 0.914 54.006 53.050 0.069 0.000 0.858 260 N CB -0.009 38.528 38.487 0.082 0.000 0.989 260 N HN 0.399 nan 8.380 nan 0.000 0.426 261 E N 1.446 121.653 120.200 0.012 0.000 2.150 261 E HA -0.056 4.295 4.350 0.001 0.000 0.193 261 E C 1.704 178.289 176.600 -0.026 0.000 0.985 261 E CA 0.799 57.199 56.400 -0.000 0.000 0.814 261 E CB -0.109 29.600 29.700 0.014 0.000 0.752 261 E HN 0.327 nan 8.360 nan 0.000 0.466 262 I N 0.128 120.668 120.570 -0.050 0.000 2.179 262 I HA -0.296 3.875 4.170 0.001 0.000 0.242 262 I C 2.232 178.292 176.117 -0.095 0.000 1.088 262 I CA 1.030 62.282 61.300 -0.079 0.000 1.357 262 I CB -0.257 37.671 38.000 -0.119 0.000 1.051 262 I HN 0.168 nan 8.210 nan 0.000 0.409 263 L N 0.026 121.172 121.223 -0.127 0.000 2.046 263 L HA -0.228 4.112 4.340 0.001 0.000 0.208 263 L C 2.768 179.605 176.870 -0.056 0.000 1.077 263 L CA 1.351 56.129 54.840 -0.102 0.000 0.747 263 L CB -0.639 41.358 42.059 -0.104 0.000 0.896 263 L HN 0.224 nan 8.230 nan 0.000 0.432 264 R N 0.724 121.200 120.500 -0.040 0.000 2.081 264 R HA -0.157 4.183 4.340 0.001 0.000 0.235 264 R C 2.317 178.601 176.300 -0.028 0.000 1.131 264 R CA 1.520 57.605 56.100 -0.025 0.000 0.960 264 R CB -0.215 30.077 30.300 -0.013 0.000 0.856 264 R HN 0.301 nan 8.270 nan 0.000 0.436 265 I N 0.870 121.422 120.570 -0.030 0.000 2.226 265 I HA -0.301 3.869 4.170 0.001 0.000 0.245 265 I C 2.222 178.316 176.117 -0.037 0.000 1.100 265 I CA 1.100 62.382 61.300 -0.030 0.000 1.374 265 I CB -0.227 37.756 38.000 -0.028 0.000 1.057 265 I HN 0.229 nan 8.210 nan 0.000 0.413 266 L N 0.240 121.437 121.223 -0.043 0.000 2.042 266 L HA -0.236 4.105 4.340 0.001 0.000 0.210 266 L C 2.430 179.277 176.870 -0.040 0.000 1.076 266 L CA 1.428 56.243 54.840 -0.042 0.000 0.749 266 L CB -0.505 41.529 42.059 -0.042 0.000 0.893 266 L HN 0.281 nan 8.230 nan 0.000 0.432 267 L N -0.717 120.481 121.223 -0.040 0.000 2.376 267 L HA -0.149 4.191 4.340 0.001 0.000 0.219 267 L C 2.294 179.139 176.870 -0.040 0.000 1.133 267 L CA 0.462 55.276 54.840 -0.043 0.000 0.816 267 L CB -0.266 41.769 42.059 -0.039 0.000 0.933 267 L HN 0.298 nan 8.230 nan 0.000 0.449 268 L N -0.650 120.553 121.223 -0.035 0.000 2.217 268 L HA -0.057 4.283 4.340 0.001 0.000 0.211 268 L C 0.700 177.549 176.870 -0.034 0.000 1.107 268 L CA 0.081 54.902 54.840 -0.031 0.000 0.783 268 L CB -0.212 41.832 42.059 -0.025 0.000 0.919 268 L HN 0.270 nan 8.230 nan 0.000 0.442 269 R N 0.476 120.953 120.500 -0.038 0.000 3.264 269 R HA -0.153 4.187 4.340 0.001 0.000 0.251 269 R C 0.213 176.492 176.300 -0.036 0.000 0.971 269 R CA 0.731 56.807 56.100 -0.040 0.000 0.658 269 R CB -2.967 27.308 30.300 -0.041 0.000 1.095 269 R HN 0.253 nan 8.270 nan 0.000 0.443 270 T N -1.326 113.206 114.554 -0.037 0.000 2.909 270 T HA 0.425 4.775 4.350 0.001 0.000 0.286 270 T C 0.954 175.632 174.700 -0.036 0.000 1.002 270 T CA -0.082 62.000 62.100 -0.031 0.000 1.074 270 T CB 1.002 69.856 68.868 -0.023 0.000 0.984 270 T HN 0.257 nan 8.240 nan 0.000 0.495 271 S N 2.442 118.129 115.700 -0.023 0.000 2.578 271 S HA 0.155 4.625 4.470 0.001 0.000 0.231 271 S C 0.214 174.826 174.600 0.020 0.000 0.994 271 S CA -0.512 57.679 58.200 -0.014 0.000 0.956 271 S CB 0.089 63.279 63.200 -0.016 0.000 0.870 271 S HN 0.820 nan 8.310 nan 0.000 0.494 272 D N 3.036 123.447 120.400 0.018 0.000 2.401 272 D HA 0.008 4.649 4.640 0.001 0.000 0.254 272 D C 1.206 177.554 176.300 0.079 0.000 1.192 272 D CA 0.150 54.177 54.000 0.046 0.000 0.885 272 D CB 0.907 41.725 40.800 0.031 0.000 1.147 272 D HN 0.337 nan 8.370 nan 0.000 0.478 273 K N 3.631 124.121 120.400 0.150 0.000 2.097 273 K HA -0.174 4.147 4.320 0.001 0.000 0.206 273 K C 0.841 177.594 176.600 0.255 0.000 1.049 273 K CA 1.091 57.559 56.287 0.301 0.000 0.933 273 K CB 0.114 32.801 32.500 0.312 0.000 0.717 273 K HN 0.336 nan 8.250 nan 0.000 0.442 274 D N 1.176 121.663 120.400 0.145 0.000 2.117 274 D HA -0.069 4.572 4.640 0.001 0.000 0.198 274 D C 2.149 178.504 176.300 0.092 0.000 0.982 274 D CA 1.217 55.284 54.000 0.111 0.000 0.828 274 D CB -0.028 40.814 40.800 0.071 0.000 0.967 274 D HN 0.306 nan 8.370 nan 0.000 0.464 275 I N 1.213 121.822 120.570 0.065 0.000 2.252 275 I HA -0.230 3.940 4.170 0.001 0.000 0.245 275 I C 2.370 178.503 176.117 0.025 0.000 1.102 275 I CA 1.058 62.380 61.300 0.036 0.000 1.385 275 I CB -0.083 37.926 38.000 0.016 0.000 1.064 275 I HN -0.096 nan 8.210 nan 0.000 0.414 276 K N 0.277 120.684 120.400 0.012 0.000 2.097 276 K HA -0.183 4.137 4.320 0.001 0.000 0.205 276 K C 2.066 178.683 176.600 0.028 0.000 1.050 276 K CA 1.126 57.373 56.287 -0.068 0.000 0.938 276 K CB -0.250 32.074 32.500 -0.293 0.000 0.718 276 K HN 0.132 nan 8.250 nan 0.000 0.442 277 L N 2.162 123.501 121.223 0.194 0.000 2.093 277 L HA -0.148 4.193 4.340 0.001 0.000 0.208 277 L C 2.231 179.176 176.870 0.125 0.000 1.085 277 L CA 1.755 56.738 54.840 0.238 0.000 0.755 277 L CB -0.415 41.793 42.059 0.249 0.000 0.904 277 L HN 0.039 nan 8.230 nan 0.000 0.435 278 K N -0.754 119.702 120.400 0.094 0.000 2.026 278 K HA -0.228 4.092 4.320 0.001 0.000 0.208 278 K C 2.148 178.782 176.600 0.057 0.000 1.048 278 K CA 1.907 58.239 56.287 0.075 0.000 0.929 278 K CB -0.390 32.144 32.500 0.056 0.000 0.713 278 K HN 0.325 nan 8.250 nan 0.000 0.439 279 L N 1.776 123.017 121.223 0.029 0.000 2.017 279 L HA -0.119 4.222 4.340 0.001 0.000 0.208 279 L C 2.036 178.906 176.870 -0.000 0.000 1.073 279 L CA 1.546 56.389 54.840 0.004 0.000 0.745 279 L CB -0.369 41.676 42.059 -0.024 0.000 0.894 279 L HN 0.269 nan 8.230 nan 0.000 0.432 280 I N -0.659 119.914 120.570 0.004 0.000 2.179 280 I HA -0.285 3.885 4.170 0.001 0.000 0.242 280 I C 2.387 178.487 176.117 -0.029 0.000 1.088 280 I CA 0.986 62.278 61.300 -0.012 0.000 1.357 280 I CB -0.432 37.584 38.000 0.026 0.000 1.051 280 I HN 0.362 nan 8.210 nan 0.000 0.409 281 Q N 0.311 120.127 119.800 0.027 0.000 2.224 281 Q HA -0.077 4.263 4.340 0.001 0.000 0.203 281 Q C 2.272 178.331 176.000 0.098 0.000 0.970 281 Q CA 1.296 57.133 55.803 0.057 0.000 0.865 281 Q CB -0.184 28.701 28.738 0.246 0.000 0.922 281 Q HN 0.597 nan 8.270 nan 0.000 0.445 282 I N 0.423 121.037 120.570 0.073 0.000 2.179 282 I HA -0.270 3.900 4.170 0.001 0.000 0.242 282 I C 2.100 178.220 176.117 0.005 0.000 1.088 282 I CA 0.998 62.338 61.300 0.067 0.000 1.357 282 I CB -0.254 37.772 38.000 0.042 0.000 1.051 282 I HN 0.163 nan 8.210 nan 0.000 0.409 283 L N 0.122 121.320 121.223 -0.041 0.000 2.201 283 L HA -0.193 4.147 4.340 0.001 0.000 0.212 283 L C 2.465 179.249 176.870 -0.144 0.000 1.105 283 L CA 1.099 55.890 54.840 -0.082 0.000 0.775 283 L CB -0.661 41.358 42.059 -0.068 0.000 0.913 283 L HN 0.283 nan 8.230 nan 0.000 0.440 284 E N 0.833 120.897 120.200 -0.225 0.000 2.016 284 E HA -0.155 4.196 4.350 0.001 0.000 0.190 284 E C 1.897 178.234 176.600 -0.438 0.000 0.985 284 E CA 1.738 57.872 56.400 -0.444 0.000 0.802 284 E CB -0.171 29.021 29.700 -0.847 0.000 0.762 284 E HN 0.412 nan 8.360 nan 0.000 0.448 285 F N -0.328 119.611 119.950 -0.018 0.000 2.582 285 F HA 0.180 4.707 4.527 0.000 0.000 0.290 285 F C 2.159 177.951 175.800 -0.014 0.000 1.115 285 F CA 0.544 58.537 58.000 -0.011 0.000 1.445 285 F CB 0.232 39.234 39.000 0.003 0.000 1.126 285 F HN 0.114 nan 8.300 nan 0.000 0.574 286 D N 0.072 120.560 120.400 0.147 0.000 2.269 286 D HA -0.092 4.548 4.640 0.001 0.000 0.220 286 D C 2.031 178.310 176.300 -0.035 0.000 0.962 286 D CA 1.872 55.932 54.000 0.100 0.000 0.884 286 D CB 0.145 41.014 40.800 0.115 0.000 1.023 286 D HN 0.276 nan 8.370 nan 0.000 0.484 287 T N -2.211 112.223 114.554 -0.201 0.000 3.037 287 T HA 0.050 4.400 4.350 0.001 0.000 0.251 287 T C 0.740 175.041 174.700 -0.665 0.000 1.079 287 T CA 0.047 61.732 62.100 -0.691 0.000 1.067 287 T CB 0.063 68.706 68.868 -0.374 0.000 0.948 287 T HN 0.065 nan 8.240 nan 0.000 0.496 288 N N 1.093 119.610 118.700 -0.305 0.000 2.735 288 N HA -0.157 4.583 4.740 0.001 0.000 0.248 288 N C 0.738 176.104 175.510 -0.239 0.000 1.083 288 N CA 0.880 53.805 53.050 -0.207 0.000 0.703 288 N CB -1.748 36.653 38.487 -0.142 0.000 1.005 288 N HN 0.478 nan 8.380 nan 0.000 0.550 289 S N 0.076 115.626 115.700 -0.250 0.000 2.406 289 S HA 0.056 4.526 4.470 0.001 0.000 0.228 289 S C 2.108 176.642 174.600 -0.110 0.000 1.020 289 S CA 0.514 58.523 58.200 -0.318 0.000 0.965 289 S CB 0.221 63.362 63.200 -0.100 0.000 0.798 289 S HN 0.373 nan 8.310 nan 0.000 0.488 290 L N 1.130 122.329 121.223 -0.039 0.000 2.027 290 L HA -0.106 4.234 4.340 0.001 0.000 0.206 290 L C 2.862 179.807 176.870 0.126 0.000 1.074 290 L CA 1.308 56.214 54.840 0.110 0.000 0.745 290 L CB -0.830 41.250 42.059 0.035 0.000 0.898 290 L HN 0.326 nan 8.230 nan 0.000 0.433 291 A N -0.576 122.258 122.820 0.022 0.000 1.902 291 A HA -0.290 4.030 4.320 0.001 0.000 0.217 291 A C 2.215 179.785 177.584 -0.023 0.000 1.181 291 A CA 1.526 53.564 52.037 0.001 0.000 0.623 291 A CB -0.970 18.025 19.000 -0.008 0.000 0.818 291 A HN 0.473 nan 8.150 nan 0.000 0.443 292 Y N 1.301 121.507 120.300 -0.157 0.000 2.165 292 Y HA -0.230 4.320 4.550 0.001 0.000 0.286 292 Y C 2.603 178.476 175.900 -0.044 0.000 1.155 292 Y CA 2.443 60.447 58.100 -0.161 0.000 1.164 292 Y CB -0.525 37.633 38.460 -0.503 0.000 0.978 292 Y HN 0.316 nan 8.280 nan 0.000 0.513 293 T N 0.359 114.946 114.554 0.054 0.000 2.812 293 T HA -0.153 4.198 4.350 0.001 0.000 0.264 293 T C 1.858 176.369 174.700 -0.315 0.000 1.042 293 T CA 1.440 63.551 62.100 0.018 0.000 1.140 293 T CB -0.247 68.726 68.868 0.174 0.000 0.870 293 T HN 0.270 nan 8.240 nan 0.000 0.445 294 K N 1.426 121.562 120.400 -0.439 0.000 2.044 294 K HA -0.191 4.129 4.320 0.001 0.000 0.210 294 K C 2.322 178.738 176.600 -0.307 0.000 1.049 294 K CA 1.588 57.548 56.287 -0.545 0.000 0.927 294 K CB -0.278 32.050 32.500 -0.287 0.000 0.713 294 K HN 0.314 nan 8.250 nan 0.000 0.443 295 N N -0.384 118.183 118.700 -0.221 0.000 2.120 295 N HA -0.189 4.551 4.740 0.001 0.000 0.188 295 N C 1.954 177.336 175.510 -0.214 0.000 1.024 295 N CA 1.088 54.021 53.050 -0.194 0.000 0.852 295 N CB -0.130 38.252 38.487 -0.175 0.000 1.003 295 N HN 0.175 nan 8.380 nan 0.000 0.424 296 F N 1.891 121.595 119.950 -0.409 0.000 2.134 296 F HA -0.048 4.480 4.527 0.001 0.000 0.299 296 F C 2.189 177.784 175.800 -0.342 0.000 1.097 296 F CA 1.046 58.816 58.000 -0.383 0.000 1.264 296 F CB -0.184 38.563 39.000 -0.422 0.000 1.001 296 F HN 0.018 nan 8.300 nan 0.000 0.479 297 I N 0.214 120.692 120.570 -0.153 0.000 2.142 297 I HA -0.383 3.788 4.170 0.001 0.000 0.240 297 I C 2.052 178.045 176.117 -0.207 0.000 1.078 297 I CA 2.017 63.194 61.300 -0.205 0.000 1.343 297 I CB -0.822 37.006 38.000 -0.287 0.000 1.046 297 I HN 0.194 nan 8.210 nan 0.000 0.405 298 N N 0.254 118.832 118.700 -0.203 0.000 2.061 298 N HA -0.276 4.464 4.740 0.001 0.000 0.193 298 N C 1.886 177.290 175.510 -0.177 0.000 1.030 298 N CA 1.401 54.352 53.050 -0.166 0.000 0.856 298 N CB -0.150 38.249 38.487 -0.146 0.000 1.023 298 N HN 0.417 nan 8.380 nan 0.000 0.424 299 Q N 0.647 120.307 119.800 -0.233 0.000 2.061 299 Q HA -0.119 4.221 4.340 0.001 0.000 0.204 299 Q C 2.247 178.092 176.000 -0.257 0.000 0.984 299 Q CA 1.073 56.723 55.803 -0.255 0.000 0.846 299 Q CB -0.153 28.373 28.738 -0.354 0.000 0.902 299 Q HN 0.418 nan 8.270 nan 0.000 0.421 300 L N -0.139 120.896 121.223 -0.314 0.000 2.013 300 L HA -0.224 4.116 4.340 0.001 0.000 0.212 300 L C 2.352 179.124 176.870 -0.164 0.000 1.073 300 L CA 0.962 55.653 54.840 -0.248 0.000 0.753 300 L CB -0.569 41.355 42.059 -0.225 0.000 0.890 300 L HN 0.132 nan 8.230 nan 0.000 0.432 301 V N -0.005 119.822 119.914 -0.145 0.000 2.490 301 V HA -0.236 3.884 4.120 0.001 0.000 0.250 301 V C 2.142 178.191 176.094 -0.074 0.000 1.061 301 V CA 1.609 63.849 62.300 -0.099 0.000 1.064 301 V CB -0.666 31.105 31.823 -0.088 0.000 0.670 301 V HN 0.493 nan 8.190 nan 0.000 0.461 302 N N -0.160 118.487 118.700 -0.090 0.000 2.244 302 N HA -0.055 4.685 4.740 0.001 0.000 0.183 302 N C 1.729 177.206 175.510 -0.055 0.000 1.016 302 N CA 1.184 54.194 53.050 -0.067 0.000 0.866 302 N CB -0.303 38.136 38.487 -0.078 0.000 0.980 302 N HN 0.430 nan 8.380 nan 0.000 0.430 303 M N -0.101 119.454 119.600 -0.074 0.000 2.446 303 M HA -0.037 4.443 4.480 0.001 0.000 0.263 303 M C 1.548 177.842 176.300 -0.011 0.000 1.066 303 M CA 1.033 56.301 55.300 -0.054 0.000 1.087 303 M CB 0.028 32.580 32.600 -0.080 0.000 1.406 303 M HN 0.106 nan 8.290 nan 0.000 0.459 304 I N -0.713 119.857 120.570 -0.001 0.000 2.681 304 I HA -0.141 4.029 4.170 0.001 0.000 0.247 304 I C 1.844 178.000 176.117 0.066 0.000 1.091 304 I CA 0.661 62.001 61.300 0.068 0.000 1.442 304 I CB -0.132 37.918 38.000 0.082 0.000 1.219 304 I HN 0.087 nan 8.210 nan 0.000 0.451 305 K N 1.105 121.526 120.400 0.035 0.000 2.585 305 K HA -0.034 4.286 4.320 0.001 0.000 0.194 305 K C 0.132 176.740 176.600 0.013 0.000 1.037 305 K CA 0.521 56.823 56.287 0.026 0.000 0.964 305 K CB -0.149 32.357 32.500 0.010 0.000 0.787 305 K HN 0.349 nan 8.250 nan 0.000 0.488 306 N N 0.000 118.705 118.700 0.008 0.000 1.763 306 N HA 0.000 4.740 4.740 0.001 0.000 0.220 306 N CA 0.000 53.050 53.050 0.000 0.000 0.885 306 N CB 0.000 38.479 38.487 -0.014 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667