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 5eas_1_A DATA FIRST_RESID 24 DATA SEQUENCE LWGDQFLSFS IDNQVAEKYA QEIEALKEQT RSMLLATGRK LADTLNLIDI DATA SEQUENCE IERLGISYHF EKEIDEILDQ IYNQNSNCND LCTSALQFRL LRQHGFNISP DATA SEQUENCE EIFSKFQDEN GKFKESLASD VLGLLNLYEA SHVRTHADDI LEDALAFSTI DATA SEQUENCE HLESAAPHLK SPLREQVTHA LEQCLHKGVP RVETRFFISS IYDKEQSKNN DATA SEQUENCE VLLRFAKLDF NLLQMLHKQE LAQVSRWWKD LDFVTTLPYA RDRVVECYFW DATA SEQUENCE ALGVYFEPQY SQARVMLVKT ISMISIVDDT FDAYGTVKEL EAYTDAIQRW DATA SEQUENCE DINEIDRLPD YMKISYKAIL DLYKDYEKEL SSAGRSHIVC HAIERMKEVV DATA SEQUENCE RNYNVESTWF IEGYTPPVSE YLSNALATTT YYYLATTSYL GMKSATEQDF DATA SEQUENCE EWLSKNPKIL EASVIICRVI DDTATYEVEK SRGQIATGIE CCMRDYGIST DATA SEQUENCE KEAMAKFQNM AETAWKDINE GLLRPTPVST EFLTPILNLA RIVEVTYIXX DATA SEQUENCE XXXXXXXXXV LKPHIINLLV DSIKI 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 24 L HA 0.000 nan 4.340 nan 0.000 0.249 24 L C 0.000 176.605 176.870 -0.442 0.000 1.165 24 L CA 0.000 54.653 54.840 -0.312 0.000 0.813 24 L CB 0.000 41.826 42.059 -0.388 0.000 0.961 25 W N 0.420 121.786 121.300 0.110 0.000 2.699 25 W HA 0.064 nan 4.660 nan 0.000 0.265 25 W C 1.414 177.981 176.519 0.079 0.000 1.210 25 W CA 0.006 57.441 57.345 0.150 0.000 1.414 25 W CB 0.570 30.230 29.460 0.334 0.000 1.043 25 W HN -0.283 8.012 8.180 0.191 0.000 0.599 26 G N 0.625 109.591 108.800 0.276 0.000 2.569 26 G HA2 -0.518 nan 3.960 nan 0.000 0.259 26 G HA3 -0.518 nan 3.960 nan 0.000 0.259 26 G C -0.278 174.729 174.900 0.179 0.000 1.263 26 G CA 0.288 45.492 45.100 0.174 0.000 0.928 26 G HN -0.164 8.299 8.290 0.289 0.000 0.572 27 D N 2.650 123.114 120.400 0.107 0.000 2.332 27 D HA -0.026 nan 4.640 nan 0.000 0.244 27 D C 1.171 177.487 176.300 0.026 0.000 1.136 27 D CA 1.021 55.075 54.000 0.090 0.000 0.884 27 D CB -0.870 39.970 40.800 0.068 0.000 0.906 27 D HN 0.218 8.637 8.370 0.082 0.000 0.520 28 Q N 0.160 119.925 119.800 -0.058 0.000 2.364 28 Q HA -0.238 nan 4.340 nan 0.000 0.209 28 Q C 0.367 176.041 176.000 -0.542 0.000 0.977 28 Q CA 2.357 57.955 55.803 -0.342 0.000 0.885 28 Q CB 0.025 28.455 28.738 -0.513 0.000 0.941 28 Q HN -0.626 7.528 8.270 0.022 0.129 0.464 29 F N -6.723 113.278 119.950 0.084 0.000 2.825 29 F HA 0.148 nan 4.527 nan 0.000 0.322 29 F C 0.112 175.943 175.800 0.052 0.000 1.127 29 F CA -1.281 56.738 58.000 0.033 0.000 1.164 29 F CB 1.164 40.133 39.000 -0.052 0.000 1.101 29 F HN -0.792 7.504 8.300 0.099 0.063 0.529 30 L N 0.433 121.780 121.223 0.206 0.000 2.013 30 L HA -0.269 nan 4.340 nan 0.000 0.212 30 L C -1.093 175.869 176.870 0.154 0.000 1.073 30 L CA 2.549 57.488 54.840 0.166 0.000 0.753 30 L CB 0.710 42.843 42.059 0.124 0.000 0.890 30 L HN -0.804 7.412 8.230 0.162 0.111 0.432 31 S N -4.975 110.819 115.700 0.157 0.000 2.536 31 S HA 0.060 nan 4.470 nan 0.000 0.271 31 S C -1.293 173.446 174.600 0.231 0.000 1.134 31 S CA -0.587 57.709 58.200 0.160 0.000 0.897 31 S CB 2.024 65.285 63.200 0.102 0.000 1.094 31 S HN -0.446 7.940 8.310 0.153 0.016 0.473 32 F N 4.603 124.583 119.950 0.051 0.000 2.577 32 F HA 0.151 nan 4.527 nan 0.000 0.344 32 F C -0.825 174.994 175.800 0.031 0.000 1.145 32 F CA -0.788 57.239 58.000 0.046 0.000 0.996 32 F CB 1.413 40.447 39.000 0.057 0.000 1.248 32 F HN -0.054 8.396 8.300 0.251 0.000 0.447 33 S N 8.582 124.023 115.700 -0.431 0.000 2.494 33 S HA -0.015 nan 4.470 nan 0.000 0.312 33 S C -0.087 174.066 174.600 -0.745 0.000 1.121 33 S CA -0.558 57.386 58.200 -0.426 0.000 1.068 33 S CB -0.446 62.618 63.200 -0.226 0.000 1.141 33 S HN 0.281 8.426 8.310 -0.275 0.000 0.527 34 I N 4.692 124.847 120.570 -0.691 0.000 2.578 34 I HA -0.103 nan 4.170 nan 0.000 0.286 34 I C -1.186 174.765 176.117 -0.277 0.000 1.126 34 I CA -0.029 60.944 61.300 -0.545 0.000 1.380 34 I CB 0.780 38.676 38.000 -0.173 0.000 1.408 34 I HN -0.138 7.796 8.210 -0.460 0.000 0.532 35 D N 8.965 129.222 120.400 -0.239 0.000 2.489 35 D HA -0.045 nan 4.640 nan 0.000 0.237 35 D C 0.667 176.901 176.300 -0.110 0.000 1.212 35 D CA -1.199 52.713 54.000 -0.146 0.000 1.058 35 D CB -1.992 38.735 40.800 -0.122 0.000 1.098 35 D HN 0.266 8.467 8.370 -0.282 0.000 0.509 36 N N 3.807 122.453 118.700 -0.089 0.000 2.200 36 N HA -0.693 nan 4.740 nan 0.000 0.199 36 N C 1.904 177.376 175.510 -0.064 0.000 0.987 36 N CA 2.817 55.830 53.050 -0.061 0.000 0.908 36 N CB -0.505 37.954 38.487 -0.046 0.000 1.035 36 N HN 0.166 8.445 8.380 -0.098 0.043 0.481 37 Q N -1.021 118.735 119.800 -0.073 0.000 2.020 37 Q HA -0.211 nan 4.340 nan 0.000 0.202 37 Q C 2.180 178.114 176.000 -0.111 0.000 0.982 37 Q CA 2.977 58.737 55.803 -0.071 0.000 0.838 37 Q CB -0.433 28.268 28.738 -0.062 0.000 0.899 37 Q HN 0.091 8.283 8.270 -0.074 0.034 0.423 38 V N -0.381 119.431 119.914 -0.171 0.000 2.343 38 V HA -0.439 nan 4.120 nan 0.000 0.247 38 V C 1.721 177.549 176.094 -0.445 0.000 1.051 38 V CA 3.818 65.912 62.300 -0.343 0.000 1.036 38 V CB -1.112 30.484 31.823 -0.379 0.000 0.654 38 V HN -0.298 7.805 8.190 -0.144 0.000 0.451 39 A N -1.172 121.508 122.820 -0.233 0.000 1.883 39 A HA -0.406 nan 4.320 nan 0.000 0.217 39 A C 1.964 179.549 177.584 0.001 0.000 1.186 39 A CA 3.581 55.568 52.037 -0.084 0.000 0.624 39 A CB -0.844 18.151 19.000 -0.008 0.000 0.822 39 A HN -0.439 7.608 8.150 -0.172 0.000 0.444 40 E N -1.874 118.316 120.200 -0.018 0.000 2.110 40 E HA -0.411 nan 4.350 nan 0.000 0.193 40 E C 2.354 178.977 176.600 0.037 0.000 0.988 40 E CA 3.176 59.585 56.400 0.014 0.000 0.804 40 E CB -0.224 29.474 29.700 -0.003 0.000 0.745 40 E HN -0.051 8.282 8.360 -0.046 0.000 0.458 41 K N 0.370 120.779 120.400 0.015 0.000 2.026 41 K HA -0.316 nan 4.320 nan 0.000 0.208 41 K C 2.367 179.085 176.600 0.196 0.000 1.048 41 K CA 3.368 59.696 56.287 0.067 0.000 0.929 41 K CB -0.050 32.470 32.500 0.032 0.000 0.713 41 K HN -0.377 7.846 8.250 -0.044 0.000 0.439 42 Y N -1.311 119.016 120.300 0.045 0.000 2.081 42 Y HA -0.413 nan 4.550 nan 0.000 0.280 42 Y C 2.323 178.254 175.900 0.051 0.000 1.163 42 Y CA 0.816 58.953 58.100 0.061 0.000 1.135 42 Y CB -0.981 37.529 38.460 0.085 0.000 0.970 42 Y HN -0.119 8.238 8.280 0.129 0.000 0.498 43 A N -2.132 120.822 122.820 0.223 0.000 1.883 43 A HA -0.460 nan 4.320 nan 0.000 0.217 43 A C 2.186 179.807 177.584 0.062 0.000 1.186 43 A CA 3.322 55.432 52.037 0.123 0.000 0.624 43 A CB -1.081 17.975 19.000 0.094 0.000 0.822 43 A HN 0.360 8.647 8.150 0.228 0.000 0.444 44 Q N -1.024 118.811 119.800 0.058 0.000 2.061 44 Q HA -0.393 nan 4.340 nan 0.000 0.204 44 Q C 2.258 178.260 176.000 0.003 0.000 0.984 44 Q CA 3.323 59.140 55.803 0.024 0.000 0.846 44 Q CB -0.116 28.638 28.738 0.028 0.000 0.902 44 Q HN -0.078 8.238 8.270 0.077 0.000 0.421 45 E N -0.268 119.949 120.200 0.027 0.000 2.072 45 E HA -0.255 nan 4.350 nan 0.000 0.191 45 E C 2.438 178.991 176.600 -0.078 0.000 0.985 45 E CA 2.694 59.090 56.400 -0.008 0.000 0.801 45 E CB 0.001 29.720 29.700 0.031 0.000 0.750 45 E HN -0.492 7.910 8.360 0.072 0.000 0.452 46 I N 0.355 120.890 120.570 -0.059 0.000 2.264 46 I HA -0.582 nan 4.170 nan 0.000 0.248 46 I C 2.031 177.968 176.117 -0.299 0.000 1.111 46 I CA 4.152 65.355 61.300 -0.161 0.000 1.382 46 I CB -0.223 37.783 38.000 0.010 0.000 1.060 46 I HN 0.481 8.701 8.210 0.016 0.000 0.418 47 E N -1.460 118.638 120.200 -0.169 0.000 2.085 47 E HA -0.359 nan 4.350 nan 0.000 0.194 47 E C 2.258 178.745 176.600 -0.188 0.000 0.994 47 E CA 3.346 59.646 56.400 -0.167 0.000 0.801 47 E CB -0.913 28.735 29.700 -0.086 0.000 0.743 47 E HN -0.113 8.183 8.360 -0.092 0.009 0.453 48 A N -0.168 122.554 122.820 -0.164 0.000 1.855 48 A HA -0.173 nan 4.320 nan 0.000 0.215 48 A C 2.354 179.811 177.584 -0.211 0.000 1.191 48 A CA 2.938 54.890 52.037 -0.142 0.000 0.613 48 A CB -0.827 18.115 19.000 -0.096 0.000 0.829 48 A HN -0.727 7.238 8.150 -0.137 0.103 0.442 49 L N -2.334 118.692 121.223 -0.327 0.000 2.131 49 L HA -0.490 nan 4.340 nan 0.000 0.210 49 L C 2.157 178.615 176.870 -0.686 0.000 1.092 49 L CA 2.947 57.502 54.840 -0.475 0.000 0.759 49 L CB -0.591 41.111 42.059 -0.594 0.000 0.903 49 L HN 0.014 8.063 8.230 -0.302 0.000 0.435 50 K N -0.277 119.643 120.400 -0.801 0.000 2.001 50 K HA -0.416 nan 4.320 nan 0.000 0.208 50 K C 2.169 178.759 176.600 -0.016 0.000 1.048 50 K CA 3.819 59.837 56.287 -0.449 0.000 0.932 50 K CB -0.232 32.017 32.500 -0.417 0.000 0.715 50 K HN 0.327 7.942 8.250 -0.716 0.206 0.437 51 E N -0.943 119.207 120.200 -0.083 0.000 2.110 51 E HA -0.324 nan 4.350 nan 0.000 0.193 51 E C 2.216 178.810 176.600 -0.010 0.000 0.988 51 E CA 2.701 59.096 56.400 -0.009 0.000 0.804 51 E CB -0.419 29.258 29.700 -0.038 0.000 0.745 51 E HN -0.489 7.773 8.360 -0.163 0.000 0.458 52 Q N -1.309 118.457 119.800 -0.057 0.000 2.084 52 Q HA -0.283 nan 4.340 nan 0.000 0.202 52 Q C 2.642 178.622 176.000 -0.033 0.000 0.978 52 Q CA 3.371 59.147 55.803 -0.045 0.000 0.844 52 Q CB 0.102 28.804 28.738 -0.061 0.000 0.898 52 Q HN 0.057 8.255 8.270 -0.105 0.008 0.426 53 T N 2.240 116.783 114.554 -0.018 0.000 2.867 53 T HA -0.254 nan 4.350 nan 0.000 0.268 53 T C 1.725 176.281 174.700 -0.239 0.000 1.057 53 T CA 4.299 66.364 62.100 -0.058 0.000 1.136 53 T CB -0.735 68.213 68.868 0.133 0.000 0.874 53 T HN 0.091 8.133 8.240 -0.027 0.181 0.466 54 R N 1.477 121.918 120.500 -0.099 0.000 2.073 54 R HA -0.400 nan 4.340 nan 0.000 0.234 54 R C 2.017 178.277 176.300 -0.066 0.000 1.134 54 R CA 3.639 59.705 56.100 -0.056 0.000 0.952 54 R CB -0.040 30.374 30.300 0.191 0.000 0.850 54 R HN -0.015 8.195 8.270 0.067 0.100 0.433 55 S N -1.403 114.276 115.700 -0.034 0.000 2.399 55 S HA -0.292 nan 4.470 nan 0.000 0.231 55 S C 1.337 175.909 174.600 -0.047 0.000 1.022 55 S CA 3.086 61.269 58.200 -0.029 0.000 0.983 55 S CB -0.354 62.835 63.200 -0.019 0.000 0.803 55 S HN -0.299 8.000 8.310 -0.018 0.000 0.480 56 M N -0.744 118.814 119.600 -0.070 0.000 2.086 56 M HA -0.271 nan 4.480 nan 0.000 0.261 56 M C 2.400 178.651 176.300 -0.082 0.000 1.067 56 M CA 3.202 58.462 55.300 -0.068 0.000 1.116 56 M CB 0.489 33.046 32.600 -0.072 0.000 1.348 56 M HN -0.781 7.341 8.290 -0.080 0.120 0.407 57 L N -1.484 119.661 121.223 -0.130 0.000 2.131 57 L HA -0.260 nan 4.340 nan 0.000 0.210 57 L C 1.745 178.577 176.870 -0.064 0.000 1.092 57 L CA 2.481 57.251 54.840 -0.118 0.000 0.759 57 L CB -0.174 41.777 42.059 -0.179 0.000 0.903 57 L HN -0.468 7.654 8.230 -0.180 0.000 0.435 58 L N -4.918 116.276 121.223 -0.048 0.000 2.627 58 L HA -0.034 nan 4.340 nan 0.000 0.232 58 L C -0.492 176.366 176.870 -0.021 0.000 1.150 58 L CA -0.982 53.843 54.840 -0.024 0.000 0.917 58 L CB -1.385 40.668 42.059 -0.010 0.000 1.104 58 L HN -0.771 7.309 8.230 -0.057 0.115 0.445 59 A N 0.089 122.893 122.820 -0.026 0.000 2.491 59 A HA -0.000 nan 4.320 nan 0.000 0.261 59 A C 1.380 178.954 177.584 -0.017 0.000 1.101 59 A CA 0.560 52.586 52.037 -0.020 0.000 0.772 59 A CB 0.750 19.738 19.000 -0.020 0.000 1.043 59 A HN -0.687 7.357 8.150 -0.035 0.085 0.501 60 T N 1.754 116.300 114.554 -0.013 0.000 2.674 60 T HA -0.211 nan 4.350 nan 0.000 0.265 60 T C 1.970 176.663 174.700 -0.011 0.000 1.039 60 T CA 1.861 63.954 62.100 -0.011 0.000 1.150 60 T CB -0.151 68.712 68.868 -0.009 0.000 0.864 60 T HN 0.618 8.851 8.240 -0.011 0.000 0.427 61 G N 2.801 111.595 108.800 -0.010 0.000 3.717 61 G HA2 0.135 nan 3.960 nan 0.000 0.258 61 G HA3 0.135 nan 3.960 nan 0.000 0.258 61 G C -1.298 173.597 174.900 -0.008 0.000 1.088 61 G CA -0.731 44.364 45.100 -0.009 0.000 1.737 61 G HN 0.104 8.388 8.290 -0.009 0.000 0.648 62 R N 0.435 120.929 120.500 -0.011 0.000 2.532 62 R HA 0.175 nan 4.340 nan 0.000 0.295 62 R C -0.149 176.145 176.300 -0.010 0.000 0.968 62 R CA -0.906 55.188 56.100 -0.010 0.000 0.916 62 R CB 1.941 32.233 30.300 -0.013 0.000 1.124 62 R HN -0.679 7.523 8.270 -0.013 0.060 0.463 63 K N 3.211 123.608 120.400 -0.005 0.000 2.202 63 K HA -0.009 nan 4.320 nan 0.000 0.264 63 K C 1.061 177.658 176.600 -0.006 0.000 1.010 63 K CA -0.277 56.008 56.287 -0.004 0.000 0.940 63 K CB 0.714 33.215 32.500 0.002 0.000 0.983 63 K HN 0.281 8.529 8.250 -0.003 0.000 0.475 64 L N 2.474 123.693 121.223 -0.007 0.000 1.997 64 L HA -0.417 nan 4.340 nan 0.000 0.216 64 L C 1.391 178.260 176.870 -0.002 0.000 1.074 64 L CA 3.526 58.360 54.840 -0.009 0.000 0.763 64 L CB -0.219 41.836 42.059 -0.007 0.000 0.890 64 L HN 0.529 8.755 8.230 -0.006 0.000 0.434 65 A N -2.661 120.163 122.820 0.007 0.000 1.892 65 A HA -0.452 nan 4.320 nan 0.000 0.218 65 A C 1.933 179.525 177.584 0.013 0.000 1.188 65 A CA 3.612 55.657 52.037 0.015 0.000 0.631 65 A CB -1.447 17.566 19.000 0.021 0.000 0.822 65 A HN 0.335 8.490 8.150 0.008 0.000 0.447 66 D N -2.579 117.827 120.400 0.010 0.000 2.117 66 D HA -0.250 nan 4.640 nan 0.000 0.197 66 D C 2.697 178.997 176.300 0.001 0.000 0.987 66 D CA 3.358 57.364 54.000 0.010 0.000 0.829 66 D CB -0.552 40.252 40.800 0.007 0.000 0.961 66 D HN -0.368 8.007 8.370 0.008 0.000 0.460 67 T N 3.479 118.027 114.554 -0.009 0.000 2.777 67 T HA -0.200 nan 4.350 nan 0.000 0.266 67 T C 2.255 176.940 174.700 -0.025 0.000 1.040 67 T CA 4.831 66.918 62.100 -0.022 0.000 1.141 67 T CB -0.314 68.536 68.868 -0.030 0.000 0.868 67 T HN -0.035 8.121 8.240 -0.008 0.079 0.444 68 L N 0.698 121.912 121.223 -0.016 0.000 2.017 68 L HA -0.516 nan 4.340 nan 0.000 0.208 68 L C 1.870 178.737 176.870 -0.005 0.000 1.073 68 L CA 3.632 58.465 54.840 -0.013 0.000 0.745 68 L CB -0.535 41.525 42.059 0.001 0.000 0.894 68 L HN 0.481 8.704 8.230 -0.011 0.000 0.432 69 N N -0.678 118.027 118.700 0.008 0.000 2.166 69 N HA -0.286 nan 4.740 nan 0.000 0.186 69 N C 2.437 177.952 175.510 0.008 0.000 1.019 69 N CA 3.018 56.079 53.050 0.019 0.000 0.856 69 N CB -0.439 38.072 38.487 0.041 0.000 0.993 69 N HN -0.126 8.260 8.380 0.011 0.000 0.426 70 L N 1.110 122.332 121.223 -0.001 0.000 2.017 70 L HA -0.265 nan 4.340 nan 0.000 0.208 70 L C 1.424 178.271 176.870 -0.037 0.000 1.073 70 L CA 3.332 58.163 54.840 -0.015 0.000 0.745 70 L CB -0.267 41.776 42.059 -0.027 0.000 0.894 70 L HN -0.157 8.063 8.230 -0.002 0.009 0.432 71 I N -1.319 119.228 120.570 -0.039 0.000 2.226 71 I HA -0.638 nan 4.170 nan 0.000 0.245 71 I C 1.800 177.899 176.117 -0.030 0.000 1.100 71 I CA 4.557 65.835 61.300 -0.038 0.000 1.374 71 I CB -0.568 37.402 38.000 -0.050 0.000 1.057 71 I HN -0.263 7.926 8.210 -0.036 0.000 0.413 72 D N 0.105 120.484 120.400 -0.035 0.000 2.104 72 D HA -0.278 nan 4.640 nan 0.000 0.194 72 D C 2.343 178.562 176.300 -0.134 0.000 0.994 72 D CA 3.486 57.451 54.000 -0.058 0.000 0.830 72 D CB -0.078 40.697 40.800 -0.041 0.000 0.959 72 D HN -0.067 8.287 8.370 -0.027 0.000 0.452 73 I N -0.423 120.076 120.570 -0.118 0.000 2.179 73 I HA -0.541 nan 4.170 nan 0.000 0.242 73 I C 2.106 178.125 176.117 -0.163 0.000 1.088 73 I CA 4.066 65.260 61.300 -0.177 0.000 1.357 73 I CB 0.030 37.959 38.000 -0.118 0.000 1.051 73 I HN -0.152 8.019 8.210 -0.066 0.000 0.409 74 I N -0.788 119.729 120.570 -0.088 0.000 2.264 74 I HA -0.643 nan 4.170 nan 0.000 0.248 74 I C 1.780 177.893 176.117 -0.007 0.000 1.111 74 I CA 4.460 65.736 61.300 -0.039 0.000 1.382 74 I CB -0.549 37.446 38.000 -0.008 0.000 1.060 74 I HN -0.188 7.979 8.210 -0.072 0.000 0.418 75 E N -0.820 119.371 120.200 -0.015 0.000 2.046 75 E HA -0.305 nan 4.350 nan 0.000 0.190 75 E C 3.270 179.835 176.600 -0.058 0.000 0.982 75 E CA 3.286 59.695 56.400 0.016 0.000 0.800 75 E CB -0.351 29.374 29.700 0.041 0.000 0.756 75 E HN -0.287 8.042 8.360 -0.034 0.011 0.449 76 R N -0.450 119.918 120.500 -0.219 0.000 2.152 76 R HA -0.231 nan 4.340 nan 0.000 0.232 76 R C 2.862 179.081 176.300 -0.136 0.000 1.117 76 R CA 2.788 58.648 56.100 -0.399 0.000 0.981 76 R CB -0.028 29.567 30.300 -1.174 0.000 0.870 76 R HN 0.031 8.149 8.270 -0.253 0.000 0.451 77 L N -4.564 116.644 121.223 -0.026 0.000 2.599 77 L HA -0.165 nan 4.340 nan 0.000 0.230 77 L C 0.078 176.990 176.870 0.069 0.000 1.141 77 L CA 0.279 55.178 54.840 0.098 0.000 0.877 77 L CB -0.057 42.009 42.059 0.012 0.000 1.009 77 L HN -0.220 7.830 8.230 -0.103 0.119 0.447 78 G N -2.061 106.773 108.800 0.056 0.000 2.153 78 G HA2 -0.317 nan 3.960 nan 0.000 0.252 78 G HA3 -0.317 nan 3.960 nan 0.000 0.252 78 G C 0.226 175.253 174.900 0.212 0.000 0.994 78 G CA 1.215 46.368 45.100 0.089 0.000 0.698 78 G HN -0.164 7.941 8.290 0.028 0.201 0.521 79 I N -7.300 113.334 120.570 0.106 0.000 4.025 79 I HA 0.359 nan 4.170 nan 0.000 0.336 79 I C 0.446 176.591 176.117 0.047 0.000 1.390 79 I CA -0.629 60.669 61.300 -0.004 0.000 1.099 79 I CB -0.124 37.623 38.000 -0.421 0.000 1.049 79 I HN -0.551 7.652 8.210 0.053 0.039 0.394 80 S N 3.736 119.549 115.700 0.188 0.000 2.442 80 S HA -0.279 nan 4.470 nan 0.000 0.236 80 S C 1.546 176.238 174.600 0.153 0.000 1.007 80 S CA 3.399 61.753 58.200 0.257 0.000 0.965 80 S CB -0.665 62.674 63.200 0.232 0.000 0.773 80 S HN 0.023 8.398 8.310 0.196 0.052 0.504 81 Y N 0.665 120.964 120.300 -0.003 0.000 2.483 81 Y HA -0.196 nan 4.550 nan 0.000 0.291 81 Y C 1.497 177.234 175.900 -0.272 0.000 1.143 81 Y CA 1.333 59.350 58.100 -0.138 0.000 1.289 81 Y CB -1.001 37.338 38.460 -0.203 0.000 0.983 81 Y HN -0.232 8.225 8.280 0.358 0.039 0.556 82 H N -1.186 117.435 119.070 -0.748 0.000 2.535 82 H HA -0.060 nan 4.556 nan 0.000 0.273 82 H C -0.186 174.578 175.328 -0.941 0.000 0.983 82 H CA 2.965 58.432 56.048 -0.967 0.000 1.238 82 H CB 0.889 29.827 29.762 -1.374 0.000 1.412 82 H HN -0.601 7.134 8.280 -0.813 0.057 0.562 83 F N -3.494 116.498 119.950 0.071 0.000 2.881 83 F HA 0.280 nan 4.527 nan 0.000 0.343 83 F C -0.537 175.302 175.800 0.065 0.000 1.233 83 F CA -1.837 56.205 58.000 0.071 0.000 1.262 83 F CB -0.690 38.354 39.000 0.074 0.000 0.980 83 F HN 0.020 8.056 8.300 -0.149 0.175 0.506 84 E N 1.641 121.921 120.200 0.133 0.000 2.049 84 E HA -0.448 nan 4.350 nan 0.000 0.198 84 E C 1.977 178.654 176.600 0.128 0.000 1.007 84 E CA 4.103 60.578 56.400 0.125 0.000 0.809 84 E CB -0.649 29.087 29.700 0.059 0.000 0.749 84 E HN -0.001 8.386 8.360 0.045 0.000 0.450 85 K N -0.632 119.829 120.400 0.102 0.000 2.002 85 K HA -0.325 nan 4.320 nan 0.000 0.209 85 K C 1.963 178.626 176.600 0.105 0.000 1.048 85 K CA 3.568 59.909 56.287 0.091 0.000 0.930 85 K CB -0.531 32.011 32.500 0.069 0.000 0.714 85 K HN 0.327 8.629 8.250 0.086 0.000 0.438 86 E N -0.581 119.701 120.200 0.137 0.000 2.038 86 E HA -0.334 nan 4.350 nan 0.000 0.195 86 E C 2.815 179.463 176.600 0.079 0.000 1.000 86 E CA 3.269 59.737 56.400 0.113 0.000 0.803 86 E CB -0.646 29.145 29.700 0.150 0.000 0.750 86 E HN -0.132 8.331 8.360 0.173 0.000 0.448 87 I N -0.585 120.047 120.570 0.105 0.000 2.286 87 I HA -0.539 nan 4.170 nan 0.000 0.248 87 I C 1.751 177.878 176.117 0.018 0.000 1.115 87 I CA 3.956 65.281 61.300 0.043 0.000 1.392 87 I CB -0.264 37.783 38.000 0.078 0.000 1.065 87 I HN 0.017 8.329 8.210 0.169 0.000 0.418 88 D N 0.163 120.619 120.400 0.094 0.000 2.097 88 D HA -0.328 nan 4.640 nan 0.000 0.195 88 D C 2.166 178.540 176.300 0.124 0.000 0.989 88 D CA 3.907 57.997 54.000 0.151 0.000 0.827 88 D CB -0.020 40.880 40.800 0.167 0.000 0.966 88 D HN -0.291 8.151 8.370 0.119 0.000 0.456 89 E N -0.563 119.687 120.200 0.083 0.000 2.110 89 E HA -0.326 nan 4.350 nan 0.000 0.193 89 E C 2.892 179.500 176.600 0.012 0.000 0.988 89 E CA 2.919 59.353 56.400 0.058 0.000 0.804 89 E CB 0.023 29.752 29.700 0.049 0.000 0.745 89 E HN -0.231 8.179 8.360 0.082 0.000 0.458 90 I N -0.027 120.536 120.570 -0.011 0.000 2.286 90 I HA -0.426 nan 4.170 nan 0.000 0.245 90 I C 1.835 177.889 176.117 -0.105 0.000 1.104 90 I CA 3.989 65.260 61.300 -0.049 0.000 1.397 90 I CB 0.019 37.989 38.000 -0.050 0.000 1.072 90 I HN -0.202 7.999 8.210 0.005 0.012 0.417 91 L N -0.834 120.301 121.223 -0.147 0.000 2.141 91 L HA -0.480 nan 4.340 nan 0.000 0.209 91 L C 1.924 178.474 176.870 -0.533 0.000 1.094 91 L CA 3.246 57.900 54.840 -0.310 0.000 0.763 91 L CB -0.644 41.230 42.059 -0.308 0.000 0.908 91 L HN 0.074 8.245 8.230 -0.098 0.000 0.437 92 D N -0.824 119.380 120.400 -0.326 0.000 2.117 92 D HA -0.343 nan 4.640 nan 0.000 0.197 92 D C 2.195 178.425 176.300 -0.117 0.000 0.987 92 D CA 3.911 57.779 54.000 -0.221 0.000 0.829 92 D CB 0.116 40.988 40.800 0.120 0.000 0.961 92 D HN 0.204 8.492 8.370 -0.112 0.014 0.460 93 Q N -0.880 118.869 119.800 -0.085 0.000 2.084 93 Q HA -0.320 nan 4.340 nan 0.000 0.202 93 Q C 2.828 178.777 176.000 -0.085 0.000 0.978 93 Q CA 3.185 58.952 55.803 -0.060 0.000 0.844 93 Q CB 0.176 28.887 28.738 -0.045 0.000 0.898 93 Q HN -0.649 7.496 8.270 -0.079 0.077 0.426 94 I N -0.109 120.389 120.570 -0.120 0.000 2.226 94 I HA -0.517 nan 4.170 nan 0.000 0.245 94 I C 1.690 177.749 176.117 -0.096 0.000 1.100 94 I CA 3.739 64.975 61.300 -0.108 0.000 1.374 94 I CB -0.145 37.783 38.000 -0.119 0.000 1.057 94 I HN -0.330 7.716 8.210 -0.148 0.075 0.413 95 Y N -0.128 119.984 120.300 -0.315 0.000 2.128 95 Y HA -0.499 nan 4.550 nan 0.000 0.284 95 Y C 1.906 177.728 175.900 -0.131 0.000 1.154 95 Y CA 3.339 61.275 58.100 -0.274 0.000 1.149 95 Y CB -0.143 38.029 38.460 -0.481 0.000 0.976 95 Y HN 0.088 8.243 8.280 -0.208 0.000 0.505 96 N N -1.445 117.154 118.700 -0.169 0.000 2.188 96 N HA -0.237 nan 4.740 nan 0.000 0.184 96 N C 1.625 177.039 175.510 -0.161 0.000 1.018 96 N CA 2.581 55.516 53.050 -0.191 0.000 0.858 96 N CB 0.032 38.479 38.487 -0.066 0.000 0.989 96 N HN -0.289 8.058 8.380 -0.055 0.000 0.426 97 Q N -2.706 117.024 119.800 -0.117 0.000 2.378 97 Q HA -0.102 nan 4.340 nan 0.000 0.205 97 Q C 0.664 176.607 176.000 -0.094 0.000 0.954 97 Q CA 0.769 56.519 55.803 -0.089 0.000 0.901 97 Q CB 0.306 29.006 28.738 -0.064 0.000 0.981 97 Q HN -0.464 7.743 8.270 -0.105 0.000 0.483 98 N N -0.520 118.109 118.700 -0.118 0.000 2.702 98 N HA -0.289 nan 4.740 nan 0.000 0.255 98 N C -1.017 174.454 175.510 -0.064 0.000 0.983 98 N CA 1.259 54.249 53.050 -0.100 0.000 0.768 98 N CB -0.785 37.629 38.487 -0.123 0.000 0.918 98 N HN -0.447 7.813 8.380 -0.142 0.035 0.540 99 S N -0.939 114.731 115.700 -0.051 0.000 2.548 99 S HA 0.052 nan 4.470 nan 0.000 0.277 99 S C -0.062 174.521 174.600 -0.028 0.000 1.315 99 S CA -0.041 58.137 58.200 -0.037 0.000 1.050 99 S CB 0.821 64.002 63.200 -0.030 0.000 0.918 99 S HN -0.110 8.168 8.310 -0.052 0.000 0.497 100 N N 3.521 122.204 118.700 -0.029 0.000 2.415 100 N HA -0.011 nan 4.740 nan 0.000 0.246 100 N C -0.459 175.048 175.510 -0.004 0.000 1.078 100 N CA 0.208 53.242 53.050 -0.027 0.000 0.942 100 N CB 0.332 38.792 38.487 -0.045 0.000 1.140 100 N HN 0.160 8.522 8.380 -0.031 0.000 0.501 101 C N 4.180 123.492 119.300 0.020 0.000 2.446 101 C HA -0.052 nan 4.460 nan 0.000 0.279 101 C C 0.412 175.446 174.990 0.074 0.000 1.366 101 C CA 0.862 59.907 59.018 0.045 0.000 1.763 101 C CB 0.245 28.019 27.740 0.057 0.000 1.929 101 C HN 0.904 9.146 8.230 0.020 0.000 0.509 102 N N -4.224 114.531 118.700 0.093 0.000 2.951 102 N HA -0.337 nan 4.740 nan 0.000 0.213 102 N C -1.930 173.762 175.510 0.303 0.000 0.877 102 N CA 1.724 54.842 53.050 0.114 0.000 1.042 102 N CB -1.558 36.961 38.487 0.053 0.000 1.005 102 N HN 0.577 8.974 8.380 0.071 0.026 0.604 103 D N -3.914 116.661 120.400 0.291 0.000 2.256 103 D HA 0.121 nan 4.640 nan 0.000 0.246 103 D C 0.054 176.401 176.300 0.080 0.000 1.042 103 D CA -1.166 52.979 54.000 0.242 0.000 0.841 103 D CB 2.799 43.664 40.800 0.110 0.000 1.223 103 D HN -0.583 7.818 8.370 0.205 0.092 0.470 104 L N 3.138 124.157 121.223 -0.340 0.000 1.997 104 L HA -0.347 nan 4.340 nan 0.000 0.216 104 L C 1.046 177.777 176.870 -0.233 0.000 1.074 104 L CA 3.348 57.751 54.840 -0.729 0.000 0.763 104 L CB -0.178 41.467 42.059 -0.691 0.000 0.890 104 L HN 0.518 8.616 8.230 -0.220 0.000 0.434 105 C N -2.727 116.510 119.300 -0.104 0.000 2.367 105 C HA -0.518 nan 4.460 nan 0.000 0.276 105 C C 1.875 176.875 174.990 0.015 0.000 1.195 105 C CA 3.957 62.963 59.018 -0.020 0.000 1.756 105 C CB -1.988 25.753 27.740 0.002 0.000 2.046 105 C HN 0.448 8.617 8.230 -0.101 0.000 0.453 106 T N 2.181 116.749 114.554 0.024 0.000 2.857 106 T HA -0.220 nan 4.350 nan 0.000 0.266 106 T C 2.439 177.168 174.700 0.048 0.000 1.048 106 T CA 4.717 66.842 62.100 0.041 0.000 1.139 106 T CB -0.444 68.449 68.868 0.043 0.000 0.874 106 T HN -0.304 8.222 8.240 0.021 -0.273 0.455 107 S N 2.856 118.584 115.700 0.046 0.000 2.356 107 S HA -0.340 nan 4.470 nan 0.000 0.223 107 S C 1.623 176.225 174.600 0.002 0.000 1.032 107 S CA 4.021 62.233 58.200 0.021 0.000 1.005 107 S CB -0.437 62.825 63.200 0.104 0.000 0.867 107 S HN -0.114 8.224 8.310 0.046 0.000 0.449 108 A N 1.413 124.285 122.820 0.086 0.000 1.902 108 A HA -0.193 nan 4.320 nan 0.000 0.217 108 A C 1.882 179.630 177.584 0.273 0.000 1.181 108 A CA 3.016 55.233 52.037 0.299 0.000 0.623 108 A CB -0.771 18.393 19.000 0.274 0.000 0.818 108 A HN 0.268 8.443 8.150 0.041 0.000 0.443 109 L N -0.895 120.423 121.223 0.159 0.000 2.017 109 L HA -0.361 nan 4.340 nan 0.000 0.208 109 L C 1.432 178.380 176.870 0.130 0.000 1.073 109 L CA 2.877 57.795 54.840 0.130 0.000 0.745 109 L CB -0.560 41.547 42.059 0.079 0.000 0.894 109 L HN -0.517 7.782 8.230 0.114 0.000 0.432 110 Q N -0.728 119.139 119.800 0.112 0.000 2.061 110 Q HA -0.435 nan 4.340 nan 0.000 0.204 110 Q C 2.338 178.418 176.000 0.133 0.000 0.984 110 Q CA 3.439 59.293 55.803 0.085 0.000 0.846 110 Q CB -0.142 28.631 28.738 0.060 0.000 0.902 110 Q HN -0.084 8.245 8.270 0.098 0.000 0.421 111 F N 0.346 120.324 119.950 0.048 0.000 2.075 111 F HA -0.429 nan 4.527 nan 0.000 0.297 111 F C 1.308 177.182 175.800 0.123 0.000 1.113 111 F CA 3.587 61.648 58.000 0.103 0.000 1.218 111 F CB 0.161 39.272 39.000 0.185 0.000 0.984 111 F HN -0.040 8.442 8.300 0.304 0.000 0.472 112 R N -0.551 120.128 120.500 0.298 0.000 2.080 112 R HA -0.425 nan 4.340 nan 0.000 0.236 112 R C 2.338 178.668 176.300 0.050 0.000 1.137 112 R CA 3.827 60.010 56.100 0.139 0.000 0.943 112 R CB -0.161 30.245 30.300 0.176 0.000 0.846 112 R HN -0.013 8.518 8.270 0.435 0.000 0.431 113 L N -1.999 119.273 121.223 0.082 0.000 2.046 113 L HA -0.373 nan 4.340 nan 0.000 0.208 113 L C 2.683 179.637 176.870 0.140 0.000 1.077 113 L CA 2.889 57.795 54.840 0.110 0.000 0.747 113 L CB -0.298 41.782 42.059 0.036 0.000 0.896 113 L HN 0.149 8.436 8.230 0.095 0.000 0.432 114 L N -2.149 119.103 121.223 0.048 0.000 2.027 114 L HA -0.441 nan 4.340 nan 0.000 0.206 114 L C 2.437 179.374 176.870 0.113 0.000 1.074 114 L CA 3.026 57.926 54.840 0.101 0.000 0.745 114 L CB -0.564 41.490 42.059 -0.008 0.000 0.898 114 L HN -0.379 7.857 8.230 0.010 0.000 0.433 115 R N -1.773 118.658 120.500 -0.115 0.000 2.083 115 R HA -0.342 nan 4.340 nan 0.000 0.237 115 R C 3.246 179.501 176.300 -0.076 0.000 1.137 115 R CA 2.666 58.653 56.100 -0.189 0.000 0.951 115 R CB -0.907 29.145 30.300 -0.414 0.000 0.851 115 R HN 0.007 8.146 8.270 -0.219 0.000 0.434 116 Q N -2.329 117.461 119.800 -0.016 0.000 2.291 116 Q HA -0.204 nan 4.340 nan 0.000 0.206 116 Q C 1.374 177.337 176.000 -0.061 0.000 0.976 116 Q CA 2.423 58.227 55.803 0.002 0.000 0.875 116 Q CB -0.077 28.699 28.738 0.064 0.000 0.927 116 Q HN -0.022 8.244 8.270 -0.007 0.000 0.450 117 H N -3.137 115.937 119.070 0.006 0.000 2.517 117 H HA 0.210 nan 4.556 nan 0.000 0.282 117 H C -0.044 175.128 175.328 -0.259 0.000 1.023 117 H CA -0.107 55.927 56.048 -0.024 0.000 1.169 117 H CB 0.645 30.505 29.762 0.163 0.000 1.454 117 H HN -0.629 7.664 8.280 0.276 0.152 0.556 118 G N -1.857 106.840 108.800 -0.171 0.000 2.199 118 G HA2 -0.432 nan 3.960 nan 0.000 0.254 118 G HA3 -0.432 nan 3.960 nan 0.000 0.254 118 G C -0.612 174.036 174.900 -0.421 0.000 0.982 118 G CA 0.522 45.436 45.100 -0.310 0.000 0.632 118 G HN 0.081 8.132 8.290 -0.084 0.188 0.529 119 F N 1.631 121.424 119.950 -0.262 0.000 2.471 119 F HA -0.064 nan 4.527 nan 0.000 0.365 119 F C -0.464 175.099 175.800 -0.396 0.000 1.095 119 F CA -0.419 57.256 58.000 -0.542 0.000 1.174 119 F CB -0.334 38.212 39.000 -0.757 0.000 1.105 119 F HN -0.282 7.885 8.300 -0.115 0.063 0.535 120 N N 6.746 125.358 118.700 -0.147 0.000 3.103 120 N HA -0.070 nan 4.740 nan 0.000 0.305 120 N C -0.471 175.144 175.510 0.175 0.000 1.232 120 N CA -1.197 51.859 53.050 0.011 0.000 1.190 120 N CB -1.077 37.442 38.487 0.052 0.000 1.461 120 N HN 0.558 8.814 8.380 -0.206 0.000 0.538 121 I N 2.396 123.058 120.570 0.153 0.000 2.648 121 I HA -0.064 nan 4.170 nan 0.000 0.284 121 I C -1.517 174.756 176.117 0.260 0.000 1.153 121 I CA 0.183 61.659 61.300 0.293 0.000 1.426 121 I CB 1.460 39.578 38.000 0.198 0.000 1.381 121 I HN -0.096 8.053 8.210 -0.003 0.059 0.571 122 S N 7.833 123.695 115.700 0.270 0.000 2.562 122 S HA 0.147 nan 4.470 nan 0.000 0.281 122 S C 0.142 174.975 174.600 0.387 0.000 1.333 122 S CA -2.627 55.735 58.200 0.269 0.000 1.052 122 S CB 0.756 64.055 63.200 0.165 0.000 0.884 122 S HN 0.274 8.727 8.310 0.239 0.000 0.506 123 P HA 0.106 nan 4.420 nan 0.000 0.245 123 P C 0.489 177.938 177.300 0.249 0.000 1.212 123 P CA 0.961 64.303 63.100 0.404 0.000 0.774 123 P CB -0.031 31.858 31.700 0.315 0.000 0.999 124 E N 1.028 121.322 120.200 0.156 0.000 2.265 124 E HA -0.252 nan 4.350 nan 0.000 0.196 124 E C 1.761 178.365 176.600 0.006 0.000 0.996 124 E CA 2.243 58.684 56.400 0.069 0.000 0.832 124 E CB -0.723 29.002 29.700 0.043 0.000 0.756 124 E HN -0.253 8.111 8.360 0.173 0.100 0.491 125 I N -0.475 120.072 120.570 -0.038 0.000 2.657 125 I HA -0.360 nan 4.170 nan 0.000 0.261 125 I C 0.531 176.505 176.117 -0.237 0.000 1.212 125 I CA 2.260 63.455 61.300 -0.176 0.000 1.453 125 I CB 0.036 37.901 38.000 -0.224 0.000 1.092 125 I HN -0.858 7.327 8.210 0.029 0.042 0.452 126 F N -2.906 117.093 119.950 0.080 0.000 2.754 126 F HA 0.061 nan 4.527 nan 0.000 0.297 126 F C 1.372 177.178 175.800 0.009 0.000 1.122 126 F CA 1.643 59.771 58.000 0.214 0.000 1.400 126 F CB -0.136 38.963 39.000 0.165 0.000 1.117 126 F HN -0.424 7.759 8.300 0.075 0.162 0.587 127 S N 0.967 116.678 115.700 0.018 0.000 2.383 127 S HA -0.312 nan 4.470 nan 0.000 0.229 127 S C 1.256 175.747 174.600 -0.181 0.000 1.030 127 S CA 4.424 62.570 58.200 -0.090 0.000 1.002 127 S CB -0.431 62.718 63.200 -0.085 0.000 0.829 127 S HN 0.047 8.203 8.310 0.014 0.163 0.467 128 K N 0.623 120.809 120.400 -0.357 0.000 2.519 128 K HA -0.211 nan 4.320 nan 0.000 0.196 128 K C 0.956 177.246 176.600 -0.516 0.000 1.041 128 K CA 2.204 58.196 56.287 -0.491 0.000 0.954 128 K CB -0.724 31.390 32.500 -0.645 0.000 0.774 128 K HN 0.025 8.036 8.250 -0.376 0.014 0.480 129 F N -2.882 117.103 119.950 0.058 0.000 2.639 129 F HA 0.276 nan 4.527 nan 0.000 0.302 129 F C -1.158 174.662 175.800 0.033 0.000 1.097 129 F CA -1.380 56.689 58.000 0.116 0.000 1.294 129 F CB -0.179 38.993 39.000 0.286 0.000 1.027 129 F HN -0.380 7.606 8.300 -0.209 0.189 0.550 130 Q N -1.619 118.179 119.800 -0.004 0.000 2.399 130 Q HA 0.505 nan 4.340 nan 0.000 0.276 130 Q C -1.106 174.834 176.000 -0.099 0.000 1.098 130 Q CA -1.668 54.046 55.803 -0.148 0.000 0.827 130 Q CB 3.959 32.493 28.738 -0.341 0.000 1.386 130 Q HN -0.407 7.654 8.270 -0.061 0.172 0.443 131 D N 0.063 120.405 120.400 -0.097 0.000 2.411 131 D HA 0.053 nan 4.640 nan 0.000 0.251 131 D C 1.242 177.497 176.300 -0.074 0.000 1.201 131 D CA -1.560 52.404 54.000 -0.061 0.000 0.996 131 D CB 1.109 41.887 40.800 -0.037 0.000 1.101 131 D HN 0.732 9.023 8.370 -0.132 0.000 0.504 132 E N -1.418 118.750 120.200 -0.052 0.000 2.501 132 E HA -0.310 nan 4.350 nan 0.000 0.203 132 E C -0.266 176.303 176.600 -0.052 0.000 1.072 132 E CA 2.170 58.540 56.400 -0.050 0.000 0.885 132 E CB -0.686 28.993 29.700 -0.035 0.000 0.813 132 E HN 0.409 8.744 8.360 -0.041 0.000 0.556 133 N N -2.280 116.384 118.700 -0.061 0.000 2.250 133 N HA 0.009 nan 4.740 nan 0.000 0.190 133 N C 0.264 175.721 175.510 -0.089 0.000 1.116 133 N CA -0.356 52.658 53.050 -0.060 0.000 0.881 133 N CB 0.900 39.360 38.487 -0.046 0.000 1.006 133 N HN -0.597 7.810 8.380 -0.066 -0.067 0.491 134 G N -1.768 106.956 108.800 -0.127 0.000 2.176 134 G HA2 -0.461 nan 3.960 nan 0.000 0.253 134 G HA3 -0.461 nan 3.960 nan 0.000 0.253 134 G C -0.650 174.080 174.900 -0.282 0.000 0.979 134 G CA 0.383 45.369 45.100 -0.190 0.000 0.641 134 G HN 0.216 8.289 8.290 -0.115 0.148 0.530 135 K N 0.609 120.878 120.400 -0.219 0.000 2.144 135 K HA 0.227 nan 4.320 nan 0.000 0.270 135 K C -0.440 175.972 176.600 -0.312 0.000 1.005 135 K CA -1.690 54.460 56.287 -0.228 0.000 0.932 135 K CB 1.266 33.712 32.500 -0.090 0.000 1.021 135 K HN -0.257 8.107 8.250 -0.152 -0.205 0.462 136 F N 1.318 121.059 119.950 -0.349 0.000 2.578 136 F HA -0.108 nan 4.527 nan 0.000 0.376 136 F C 0.398 175.983 175.800 -0.359 0.000 1.085 136 F CA 1.123 58.818 58.000 -0.508 0.000 1.260 136 F CB 0.231 38.508 39.000 -1.205 0.000 1.095 136 F HN 0.095 8.237 8.300 -0.263 0.000 0.573 137 K N 5.257 125.687 120.400 0.050 0.000 2.402 137 K HA -0.270 nan 4.320 nan 0.000 0.279 137 K C 1.486 178.212 176.600 0.210 0.000 1.082 137 K CA 1.170 57.524 56.287 0.112 0.000 1.080 137 K CB -0.406 32.183 32.500 0.148 0.000 0.899 137 K HN 0.425 8.745 8.250 0.115 0.000 0.469 138 E N 5.721 126.065 120.200 0.241 0.000 2.396 138 E HA -0.324 nan 4.350 nan 0.000 0.200 138 E C 1.554 178.276 176.600 0.203 0.000 1.023 138 E CA 2.919 59.536 56.400 0.362 0.000 0.857 138 E CB -0.743 29.125 29.700 0.280 0.000 0.775 138 E HN 0.623 9.086 8.360 0.172 0.000 0.525 139 S N -0.078 115.715 115.700 0.155 0.000 2.447 139 S HA -0.193 nan 4.470 nan 0.000 0.233 139 S C 1.286 175.937 174.600 0.085 0.000 1.006 139 S CA 2.594 60.849 58.200 0.093 0.000 0.957 139 S CB -0.732 62.520 63.200 0.088 0.000 0.773 139 S HN 0.053 8.390 8.310 0.158 0.068 0.507 140 L N 0.374 121.694 121.223 0.163 0.000 2.552 140 L HA -0.070 nan 4.340 nan 0.000 0.227 140 L C 1.238 178.123 176.870 0.025 0.000 1.146 140 L CA 0.972 55.895 54.840 0.139 0.000 0.858 140 L CB -0.764 41.437 42.059 0.237 0.000 0.969 140 L HN 0.189 8.418 8.230 0.244 0.147 0.451 141 A N -0.939 121.815 122.820 -0.111 0.000 2.139 141 A HA -0.270 nan 4.320 nan 0.000 0.221 141 A C 0.508 177.885 177.584 -0.346 0.000 1.159 141 A CA 2.429 54.126 52.037 -0.568 0.000 0.662 141 A CB -0.713 17.639 19.000 -1.080 0.000 0.796 141 A HN -0.389 7.569 8.150 -0.005 0.188 0.463 142 S N -5.812 109.791 115.700 -0.161 0.000 2.557 142 S HA 0.022 nan 4.470 nan 0.000 0.223 142 S C 0.017 174.585 174.600 -0.054 0.000 0.969 142 S CA -0.591 57.552 58.200 -0.095 0.000 0.927 142 S CB 0.776 63.939 63.200 -0.061 0.000 0.806 142 S HN -0.712 7.470 8.310 -0.110 0.062 0.489 143 D N 4.025 124.395 120.400 -0.050 0.000 2.518 143 D HA 0.233 nan 4.640 nan 0.000 0.230 143 D C -0.072 176.209 176.300 -0.030 0.000 1.138 143 D CA -1.296 52.689 54.000 -0.026 0.000 0.964 143 D CB -0.333 40.459 40.800 -0.012 0.000 1.011 143 D HN -0.176 7.973 8.370 -0.068 0.179 0.517 144 V N 4.125 124.024 119.914 -0.025 0.000 2.282 144 V HA -0.450 nan 4.120 nan 0.000 0.249 144 V C 1.411 177.501 176.094 -0.006 0.000 1.057 144 V CA 3.915 66.203 62.300 -0.019 0.000 1.032 144 V CB -0.419 31.399 31.823 -0.008 0.000 0.645 144 V HN -0.225 7.952 8.190 -0.021 0.000 0.447 145 L N -2.824 118.402 121.223 0.005 0.000 2.083 145 L HA -0.328 nan 4.340 nan 0.000 0.209 145 L C 2.148 179.025 176.870 0.010 0.000 1.083 145 L CA 2.882 57.733 54.840 0.018 0.000 0.752 145 L CB -1.022 41.051 42.059 0.025 0.000 0.899 145 L HN 0.136 8.368 8.230 0.004 0.000 0.433 146 G N -1.293 107.500 108.800 -0.012 0.000 2.402 146 G HA2 -0.294 nan 3.960 nan 0.000 0.216 146 G HA3 -0.294 nan 3.960 nan 0.000 0.216 146 G C 1.168 176.051 174.900 -0.029 0.000 1.162 146 G CA 1.764 46.841 45.100 -0.039 0.000 0.777 146 G HN -0.731 7.757 8.290 -0.013 -0.207 0.539 147 L N 1.646 122.856 121.223 -0.022 0.000 2.046 147 L HA -0.374 nan 4.340 nan 0.000 0.208 147 L C 1.971 178.858 176.870 0.029 0.000 1.077 147 L CA 2.618 57.449 54.840 -0.015 0.000 0.747 147 L CB -0.211 41.821 42.059 -0.046 0.000 0.896 147 L HN 0.146 8.361 8.230 -0.026 0.000 0.432 148 L N -0.831 120.410 121.223 0.030 0.000 2.017 148 L HA -0.428 nan 4.340 nan 0.000 0.208 148 L C 1.568 178.518 176.870 0.133 0.000 1.073 148 L CA 3.550 58.431 54.840 0.068 0.000 0.745 148 L CB -0.412 41.674 42.059 0.046 0.000 0.894 148 L HN 0.275 8.512 8.230 0.012 0.000 0.432 149 N N -1.101 117.654 118.700 0.092 0.000 2.244 149 N HA -0.305 nan 4.740 nan 0.000 0.183 149 N C 2.427 178.003 175.510 0.109 0.000 1.016 149 N CA 3.755 56.869 53.050 0.106 0.000 0.866 149 N CB -0.150 38.388 38.487 0.084 0.000 0.980 149 N HN -0.457 7.960 8.380 0.062 0.000 0.430 150 L N 0.563 121.822 121.223 0.059 0.000 2.072 150 L HA -0.290 nan 4.340 nan 0.000 0.205 150 L C 0.845 177.696 176.870 -0.032 0.000 1.079 150 L CA 2.796 57.618 54.840 -0.029 0.000 0.752 150 L CB -0.410 41.557 42.059 -0.154 0.000 0.906 150 L HN -0.079 8.076 8.230 0.042 0.100 0.436 151 Y N -0.088 120.174 120.300 -0.064 0.000 2.097 151 Y HA -0.583 nan 4.550 nan 0.000 0.282 151 Y C 1.804 177.735 175.900 0.052 0.000 1.152 151 Y CA 4.039 62.118 58.100 -0.034 0.000 1.136 151 Y CB -0.021 38.436 38.460 -0.004 0.000 0.975 151 Y HN 0.232 8.439 8.280 0.180 0.181 0.498 152 E N -2.687 117.623 120.200 0.182 0.000 2.110 152 E HA -0.406 nan 4.350 nan 0.000 0.193 152 E C 2.628 179.261 176.600 0.056 0.000 0.988 152 E CA 2.742 59.218 56.400 0.128 0.000 0.804 152 E CB -0.573 29.230 29.700 0.173 0.000 0.745 152 E HN -0.121 8.418 8.360 0.299 0.000 0.458 153 A N -0.715 122.146 122.820 0.068 0.000 1.969 153 A HA -0.132 nan 4.320 nan 0.000 0.218 153 A C 2.411 180.001 177.584 0.010 0.000 1.169 153 A CA 2.859 54.975 52.037 0.133 0.000 0.635 153 A CB -0.677 18.484 19.000 0.268 0.000 0.810 153 A HN -0.089 8.032 8.150 0.081 0.078 0.445 154 S N -0.800 114.792 115.700 -0.180 0.000 2.419 154 S HA -0.307 nan 4.470 nan 0.000 0.233 154 S C 1.611 176.009 174.600 -0.337 0.000 1.016 154 S CA 3.250 61.266 58.200 -0.306 0.000 0.974 154 S CB -0.345 62.599 63.200 -0.427 0.000 0.786 154 S HN 0.173 8.275 8.310 -0.193 0.092 0.492 155 H N 0.486 119.415 119.070 -0.235 0.000 2.547 155 H HA -0.002 nan 4.556 nan 0.000 0.266 155 H C 0.346 175.553 175.328 -0.202 0.000 0.988 155 H CA 2.382 58.286 56.048 -0.240 0.000 1.147 155 H CB 0.327 29.911 29.762 -0.296 0.000 1.365 155 H HN -0.638 7.395 8.280 -0.174 0.142 0.589 156 V N -7.102 112.746 119.914 -0.110 0.000 3.319 156 V HA 0.346 nan 4.120 nan 0.000 0.317 156 V C -1.013 175.075 176.094 -0.010 0.000 1.411 156 V CA -1.577 60.594 62.300 -0.216 0.000 1.112 156 V CB -0.453 31.169 31.823 -0.335 0.000 1.031 156 V HN -0.433 7.556 8.190 -0.048 0.172 0.448 157 R N -0.171 120.350 120.500 0.035 0.000 2.641 157 R HA 0.053 nan 4.340 nan 0.000 0.269 157 R C -0.266 176.045 176.300 0.018 0.000 1.074 157 R CA 0.136 56.282 56.100 0.077 0.000 1.133 157 R CB 0.631 30.941 30.300 0.016 0.000 1.029 157 R HN -0.779 7.410 8.270 -0.020 0.069 0.488 158 T N -5.121 109.452 114.554 0.033 0.000 2.870 158 T HA 0.406 nan 4.350 nan 0.000 0.277 158 T C 1.895 176.555 174.700 -0.067 0.000 1.000 158 T CA -2.346 59.735 62.100 -0.033 0.000 0.982 158 T CB 3.077 71.979 68.868 0.056 0.000 1.249 158 T HN 0.024 8.650 8.240 0.098 -0.327 0.589 159 H N -0.060 119.055 119.070 0.074 0.000 2.521 159 H HA -0.148 nan 4.556 nan 0.000 0.286 159 H C 0.587 175.949 175.328 0.057 0.000 1.034 159 H CA 2.886 58.969 56.048 0.059 0.000 1.278 159 H CB -0.210 29.582 29.762 0.051 0.000 1.386 159 H HN 0.229 8.755 8.280 -0.022 -0.259 0.567 160 A N -1.212 121.706 122.820 0.163 0.000 2.178 160 A HA 0.019 nan 4.320 nan 0.000 0.211 160 A C -0.042 177.607 177.584 0.109 0.000 1.157 160 A CA 0.490 52.602 52.037 0.126 0.000 0.780 160 A CB 0.797 19.869 19.000 0.121 0.000 0.828 160 A HN -0.428 7.770 8.150 0.155 0.045 0.476 161 D N 0.879 121.344 120.400 0.109 0.000 2.688 161 D HA 0.079 nan 4.640 nan 0.000 0.228 161 D C 0.095 176.421 176.300 0.044 0.000 1.116 161 D CA 0.077 54.138 54.000 0.102 0.000 1.023 161 D CB -1.750 39.135 40.800 0.141 0.000 1.100 161 D HN -0.597 7.673 8.370 0.102 0.161 0.487 162 D N 2.182 122.605 120.400 0.040 0.000 2.178 162 D HA -0.179 nan 4.640 nan 0.000 0.201 162 D C 1.940 178.224 176.300 -0.027 0.000 0.980 162 D CA 3.460 57.467 54.000 0.012 0.000 0.842 162 D CB -0.023 40.787 40.800 0.017 0.000 0.948 162 D HN 0.085 8.424 8.370 0.058 0.065 0.472 163 I N -1.597 118.953 120.570 -0.033 0.000 2.454 163 I HA -0.278 nan 4.170 nan 0.000 0.254 163 I C 0.944 176.973 176.117 -0.146 0.000 1.156 163 I CA 2.493 63.736 61.300 -0.096 0.000 1.433 163 I CB 0.002 37.977 38.000 -0.043 0.000 1.082 163 I HN -0.127 8.056 8.210 0.003 0.028 0.432 164 L N -4.169 116.987 121.223 -0.111 0.000 2.685 164 L HA 0.099 nan 4.340 nan 0.000 0.233 164 L C 1.385 178.221 176.870 -0.057 0.000 1.173 164 L CA -0.700 54.065 54.840 -0.124 0.000 0.961 164 L CB -0.933 40.982 42.059 -0.241 0.000 1.217 164 L HN -0.614 7.417 8.230 -0.071 0.156 0.478 165 E N 2.026 122.204 120.200 -0.037 0.000 2.085 165 E HA -0.306 nan 4.350 nan 0.000 0.194 165 E C 0.612 177.213 176.600 0.002 0.000 0.994 165 E CA 2.880 59.268 56.400 -0.021 0.000 0.801 165 E CB -0.151 29.540 29.700 -0.016 0.000 0.743 165 E HN -0.628 7.522 8.360 -0.051 0.179 0.453 166 D N -2.521 117.910 120.400 0.052 0.000 2.402 166 D HA 0.187 nan 4.640 nan 0.000 0.216 166 D C 0.040 176.440 176.300 0.166 0.000 1.128 166 D CA 0.118 54.178 54.000 0.100 0.000 0.833 166 D CB 0.651 41.513 40.800 0.102 0.000 0.971 166 D HN 0.133 8.518 8.370 0.056 0.019 0.503 167 A N 0.815 123.704 122.820 0.115 0.000 1.898 167 A HA -0.195 nan 4.320 nan 0.000 0.216 167 A C 1.419 178.942 177.584 -0.101 0.000 1.181 167 A CA 3.125 55.105 52.037 -0.094 0.000 0.620 167 A CB -0.373 18.486 19.000 -0.234 0.000 0.819 167 A HN -0.475 7.536 8.150 0.084 0.190 0.442 168 L N -1.620 119.528 121.223 -0.125 0.000 1.976 168 L HA -0.368 nan 4.340 nan 0.000 0.209 168 L C 1.543 178.403 176.870 -0.017 0.000 1.071 168 L CA 3.174 57.922 54.840 -0.153 0.000 0.746 168 L CB -0.685 41.221 42.059 -0.256 0.000 0.890 168 L HN -0.047 8.109 8.230 -0.124 0.000 0.432 169 A N -1.624 121.201 122.820 0.008 0.000 1.908 169 A HA -0.368 nan 4.320 nan 0.000 0.218 169 A C 1.921 179.523 177.584 0.031 0.000 1.181 169 A CA 2.955 55.007 52.037 0.024 0.000 0.627 169 A CB -1.108 17.912 19.000 0.034 0.000 0.818 169 A HN -0.202 7.945 8.150 -0.003 0.000 0.445 170 F N -0.511 119.397 119.950 -0.070 0.000 2.026 170 F HA -0.463 nan 4.527 nan 0.000 0.296 170 F C 1.211 176.968 175.800 -0.072 0.000 1.133 170 F CA 3.130 61.086 58.000 -0.073 0.000 1.188 170 F CB 0.227 39.203 39.000 -0.040 0.000 0.968 170 F HN -0.284 8.150 8.300 0.223 0.000 0.476 171 S N -1.967 113.724 115.700 -0.014 0.000 2.382 171 S HA -0.382 nan 4.470 nan 0.000 0.228 171 S C 2.380 176.948 174.600 -0.053 0.000 1.027 171 S CA 3.619 61.784 58.200 -0.058 0.000 0.991 171 S CB -0.455 62.792 63.200 0.078 0.000 0.823 171 S HN 0.020 8.406 8.310 0.126 0.000 0.469 172 T N 6.031 120.598 114.554 0.022 0.000 2.622 172 T HA -0.343 nan 4.350 nan 0.000 0.266 172 T C 1.787 176.417 174.700 -0.116 0.000 1.047 172 T CA 4.812 66.913 62.100 0.002 0.000 1.159 172 T CB -0.472 68.442 68.868 0.077 0.000 0.863 172 T HN -0.100 8.165 8.240 0.059 0.011 0.422 173 I N 0.893 121.344 120.570 -0.197 0.000 2.286 173 I HA -0.591 nan 4.170 nan 0.000 0.248 173 I C 1.395 177.335 176.117 -0.295 0.000 1.115 173 I CA 3.559 64.699 61.300 -0.267 0.000 1.392 173 I CB 0.106 37.898 38.000 -0.347 0.000 1.065 173 I HN -0.170 7.924 8.210 -0.194 0.000 0.418 174 H N -0.984 117.948 119.070 -0.230 0.000 2.403 174 H HA -0.137 nan 4.556 nan 0.000 0.298 174 H C 2.748 177.978 175.328 -0.165 0.000 1.059 174 H CA 3.013 58.921 56.048 -0.234 0.000 1.363 174 H CB 0.032 29.561 29.762 -0.389 0.000 1.410 174 H HN -0.689 7.293 8.280 -0.474 0.013 0.528 175 L N -0.427 120.759 121.223 -0.062 0.000 2.093 175 L HA -0.430 nan 4.340 nan 0.000 0.208 175 L C 1.952 178.772 176.870 -0.083 0.000 1.085 175 L CA 3.414 58.201 54.840 -0.087 0.000 0.755 175 L CB -0.343 41.620 42.059 -0.159 0.000 0.904 175 L HN 0.296 8.468 8.230 -0.097 0.000 0.435 176 E N -1.053 119.092 120.200 -0.091 0.000 2.110 176 E HA -0.341 nan 4.350 nan 0.000 0.193 176 E C 2.003 178.575 176.600 -0.046 0.000 0.988 176 E CA 2.882 59.237 56.400 -0.075 0.000 0.804 176 E CB -0.350 29.306 29.700 -0.074 0.000 0.745 176 E HN 0.013 8.309 8.360 -0.106 0.000 0.458 177 S N -1.427 114.258 115.700 -0.025 0.000 2.387 177 S HA -0.176 nan 4.470 nan 0.000 0.226 177 S C 0.811 175.435 174.600 0.040 0.000 1.026 177 S CA 2.713 60.921 58.200 0.014 0.000 0.972 177 S CB 0.169 63.394 63.200 0.041 0.000 0.814 177 S HN -0.597 7.584 8.310 -0.035 0.108 0.477 178 A N -0.466 122.370 122.820 0.026 0.000 1.975 178 A HA 0.015 nan 4.320 nan 0.000 0.215 178 A C 1.876 179.474 177.584 0.023 0.000 1.170 178 A CA 1.913 53.977 52.037 0.045 0.000 0.656 178 A CB -0.521 18.489 19.000 0.016 0.000 0.821 178 A HN -0.288 7.866 8.150 0.006 0.000 0.449 179 A N -0.351 122.454 122.820 -0.026 0.000 1.896 179 A HA -0.240 nan 4.320 nan 0.000 0.220 179 A C -1.116 176.411 177.584 -0.096 0.000 1.206 179 A CA 4.429 56.435 52.037 -0.052 0.000 0.647 179 A CB -2.457 16.504 19.000 -0.064 0.000 0.828 179 A HN 0.379 8.509 8.150 -0.032 0.000 0.455 180 P HA -0.208 nan 4.420 nan 0.000 0.222 180 P C -0.103 176.889 177.300 -0.513 0.000 1.142 180 P CA 1.890 64.764 63.100 -0.376 0.000 0.788 180 P CB -0.074 31.312 31.700 -0.523 0.000 0.767 181 H N -6.288 112.777 119.070 -0.007 0.000 2.674 181 H HA 0.136 nan 4.556 nan 0.000 0.274 181 H C -0.224 175.100 175.328 -0.006 0.000 1.121 181 H CA -0.636 55.408 56.048 -0.006 0.000 1.132 181 H CB 0.461 30.219 29.762 -0.007 0.000 1.606 181 H HN -0.490 7.665 8.280 -0.113 0.058 0.558 182 L N 1.022 122.276 121.223 0.052 0.000 2.418 182 L HA 0.067 nan 4.340 nan 0.000 0.265 182 L C -0.555 176.330 176.870 0.024 0.000 1.143 182 L CA -0.582 54.281 54.840 0.038 0.000 0.809 182 L CB 0.844 42.915 42.059 0.021 0.000 1.124 182 L HN -0.644 7.589 8.230 0.004 0.000 0.456 183 K N -0.286 120.127 120.400 0.021 0.000 2.180 183 K HA -0.026 nan 4.320 nan 0.000 0.251 183 K C -0.563 176.040 176.600 0.005 0.000 1.014 183 K CA -0.271 56.023 56.287 0.011 0.000 0.913 183 K CB 0.767 33.272 32.500 0.007 0.000 1.008 183 K HN 0.025 8.289 8.250 0.024 0.000 0.490 184 S N -0.144 115.553 115.700 -0.005 0.000 2.578 184 S HA 0.203 nan 4.470 nan 0.000 0.283 184 S C -0.944 173.640 174.600 -0.026 0.000 1.195 184 S CA -2.161 56.031 58.200 -0.013 0.000 1.050 184 S CB -0.146 63.041 63.200 -0.022 0.000 1.012 184 S HN 0.216 8.522 8.310 -0.007 0.000 0.511 185 P HA 0.273 nan 4.420 nan 0.000 0.255 185 P C 0.052 177.362 177.300 0.016 0.000 1.248 185 P CA 0.453 63.535 63.100 -0.030 0.000 0.807 185 P CB 0.882 32.532 31.700 -0.083 0.000 1.150 186 L N 1.006 122.245 121.223 0.027 0.000 2.013 186 L HA -0.368 nan 4.340 nan 0.000 0.212 186 L C 1.333 178.235 176.870 0.053 0.000 1.073 186 L CA 2.552 57.422 54.840 0.051 0.000 0.753 186 L CB -0.225 41.857 42.059 0.039 0.000 0.890 186 L HN -0.460 7.711 8.230 0.013 0.067 0.432 187 R N -2.007 118.513 120.500 0.034 0.000 2.091 187 R HA -0.492 nan 4.340 nan 0.000 0.238 187 R C 1.851 178.183 176.300 0.054 0.000 1.136 187 R CA 4.112 60.228 56.100 0.026 0.000 0.959 187 R CB -0.345 29.960 30.300 0.009 0.000 0.856 187 R HN 0.192 8.473 8.270 0.024 0.003 0.437 188 E N -1.488 118.759 120.200 0.079 0.000 2.150 188 E HA -0.284 nan 4.350 nan 0.000 0.193 188 E C 2.461 179.221 176.600 0.267 0.000 0.985 188 E CA 3.097 59.589 56.400 0.153 0.000 0.814 188 E CB -0.673 29.104 29.700 0.129 0.000 0.752 188 E HN -0.468 7.841 8.360 0.055 0.083 0.466 189 Q N 0.644 120.579 119.800 0.225 0.000 2.079 189 Q HA -0.269 nan 4.340 nan 0.000 0.200 189 Q C 2.373 178.492 176.000 0.200 0.000 0.974 189 Q CA 3.462 59.444 55.803 0.298 0.000 0.840 189 Q CB 0.106 28.988 28.738 0.241 0.000 0.898 189 Q HN -0.198 8.057 8.270 0.149 0.104 0.430 190 V N -0.013 119.956 119.914 0.093 0.000 2.270 190 V HA -0.458 nan 4.120 nan 0.000 0.245 190 V C 2.011 178.075 176.094 -0.051 0.000 1.043 190 V CA 4.907 67.199 62.300 -0.012 0.000 1.014 190 V CB -0.710 31.092 31.823 -0.035 0.000 0.645 190 V HN 0.307 8.551 8.190 0.090 0.000 0.447 191 T N 1.257 115.812 114.554 0.002 0.000 2.720 191 T HA -0.361 nan 4.350 nan 0.000 0.268 191 T C 1.781 176.469 174.700 -0.020 0.000 1.037 191 T CA 4.879 66.970 62.100 -0.015 0.000 1.144 191 T CB -0.405 68.477 68.868 0.024 0.000 0.864 191 T HN -0.011 8.250 8.240 0.035 0.000 0.444 192 H N 2.405 121.445 119.070 -0.051 0.000 2.326 192 H HA -0.288 nan 4.556 nan 0.000 0.301 192 H C 1.339 176.579 175.328 -0.147 0.000 1.081 192 H CA 3.293 59.245 56.048 -0.160 0.000 1.334 192 H CB 0.077 29.650 29.762 -0.315 0.000 1.385 192 H HN -0.236 8.156 8.280 0.200 0.007 0.504 193 A N -0.705 122.040 122.820 -0.124 0.000 1.908 193 A HA -0.287 nan 4.320 nan 0.000 0.218 193 A C 1.948 179.390 177.584 -0.236 0.000 1.181 193 A CA 2.787 54.736 52.037 -0.147 0.000 0.627 193 A CB -0.742 18.199 19.000 -0.098 0.000 0.818 193 A HN -0.110 8.062 8.150 0.037 0.000 0.445 194 L N -4.245 116.774 121.223 -0.340 0.000 2.191 194 L HA -0.329 nan 4.340 nan 0.000 0.212 194 L C 2.492 179.300 176.870 -0.103 0.000 1.103 194 L CA 2.443 57.120 54.840 -0.273 0.000 0.769 194 L CB 0.036 41.954 42.059 -0.235 0.000 0.908 194 L HN -0.168 7.884 8.230 -0.297 0.000 0.438 195 E N -3.723 116.370 120.200 -0.178 0.000 2.276 195 E HA -0.106 nan 4.350 nan 0.000 0.193 195 E C 0.161 176.631 176.600 -0.216 0.000 0.983 195 E CA 0.732 57.032 56.400 -0.168 0.000 0.861 195 E CB 0.944 30.533 29.700 -0.185 0.000 0.817 195 E HN -0.591 7.477 8.360 -0.245 0.146 0.485 196 Q N -0.481 119.109 119.800 -0.351 0.000 2.406 196 Q HA 0.139 nan 4.340 nan 0.000 0.244 196 Q C -1.763 174.069 176.000 -0.280 0.000 0.884 196 Q CA -0.849 54.745 55.803 -0.347 0.000 0.813 196 Q CB 1.677 30.137 28.738 -0.462 0.000 1.368 196 Q HN -0.208 7.715 8.270 -0.416 0.098 0.439 197 C N 2.518 121.677 119.300 -0.235 0.000 2.656 197 C HA 0.246 nan 4.460 nan 0.000 0.391 197 C C 0.943 175.842 174.990 -0.152 0.000 1.300 197 C CA -2.650 56.260 59.018 -0.180 0.000 2.302 197 C CB 0.256 27.602 27.740 -0.657 0.000 2.655 197 C HN 0.195 8.236 8.230 -0.315 0.000 0.656 198 L N 1.752 122.955 121.223 -0.033 0.000 2.017 198 L HA -0.175 nan 4.340 nan 0.000 0.208 198 L C 1.593 178.443 176.870 -0.033 0.000 1.073 198 L CA 3.063 57.902 54.840 -0.002 0.000 0.745 198 L CB -0.004 42.080 42.059 0.041 0.000 0.894 198 L HN 0.272 8.990 8.230 0.034 -0.468 0.432 199 H N -0.925 118.060 119.070 -0.142 0.000 2.422 199 H HA -0.305 nan 4.556 nan 0.000 0.298 199 H C 1.213 176.407 175.328 -0.224 0.000 1.098 199 H CA 3.405 59.361 56.048 -0.153 0.000 1.315 199 H CB 0.003 29.677 29.762 -0.146 0.000 1.382 199 H HN 0.314 8.623 8.280 0.048 0.000 0.523 200 K N -3.319 116.821 120.400 -0.434 0.000 2.397 200 K HA 0.072 nan 4.320 nan 0.000 0.202 200 K C -0.033 176.423 176.600 -0.239 0.000 1.022 200 K CA -1.158 54.825 56.287 -0.507 0.000 1.141 200 K CB 0.191 32.228 32.500 -0.772 0.000 0.857 200 K HN -0.754 7.257 8.250 -0.360 0.022 0.514 201 G N -0.600 108.090 108.800 -0.182 0.000 2.437 201 G HA2 0.026 nan 3.960 nan 0.000 0.319 201 G HA3 0.026 nan 3.960 nan 0.000 0.319 201 G C -0.466 174.372 174.900 -0.103 0.000 1.158 201 G CA -0.956 44.075 45.100 -0.115 0.000 0.899 201 G HN -0.698 7.313 8.290 -0.184 0.168 0.502 202 V N 2.291 122.138 119.914 -0.111 0.000 2.529 202 V HA -0.002 nan 4.120 nan 0.000 0.292 202 V C 0.157 176.188 176.094 -0.105 0.000 1.028 202 V CA -1.588 60.625 62.300 -0.146 0.000 1.074 202 V CB -1.181 30.518 31.823 -0.207 0.000 0.958 202 V HN 0.433 8.557 8.190 -0.109 0.000 0.481 203 P HA -0.274 nan 4.420 nan 0.000 0.214 203 P C 1.182 178.388 177.300 -0.156 0.000 1.172 203 P CA 3.050 66.094 63.100 -0.094 0.000 0.925 203 P CB 0.013 31.705 31.700 -0.013 0.000 0.793 204 R N -4.081 116.273 120.500 -0.244 0.000 2.105 204 R HA -0.302 nan 4.340 nan 0.000 0.239 204 R C 2.414 178.755 176.300 0.069 0.000 1.135 204 R CA 2.955 58.953 56.100 -0.170 0.000 0.967 204 R CB -1.144 29.031 30.300 -0.209 0.000 0.861 204 R HN 0.405 8.526 8.270 -0.249 0.000 0.442 205 V N 0.425 120.370 119.914 0.052 0.000 2.343 205 V HA -0.287 nan 4.120 nan 0.000 0.247 205 V C 2.675 178.868 176.094 0.166 0.000 1.051 205 V CA 4.097 66.485 62.300 0.146 0.000 1.036 205 V CB -0.727 31.135 31.823 0.066 0.000 0.654 205 V HN -0.420 7.737 8.190 -0.034 0.013 0.451 206 E N -2.177 118.091 120.200 0.113 0.000 2.107 206 E HA -0.248 nan 4.350 nan 0.000 0.191 206 E C 2.750 179.469 176.600 0.198 0.000 0.982 206 E CA 2.806 59.305 56.400 0.164 0.000 0.809 206 E CB -0.747 29.015 29.700 0.103 0.000 0.756 206 E HN 0.113 8.502 8.360 0.049 0.000 0.459 207 T N 3.333 117.961 114.554 0.123 0.000 2.674 207 T HA -0.246 nan 4.350 nan 0.000 0.265 207 T C 1.890 176.652 174.700 0.105 0.000 1.039 207 T CA 4.982 67.160 62.100 0.129 0.000 1.150 207 T CB -0.371 68.545 68.868 0.080 0.000 0.864 207 T HN 0.394 8.675 8.240 0.069 0.000 0.427 208 R N 1.904 122.453 120.500 0.082 0.000 2.096 208 R HA -0.307 nan 4.340 nan 0.000 0.240 208 R C 1.498 177.764 176.300 -0.058 0.000 1.139 208 R CA 2.452 58.465 56.100 -0.145 0.000 0.952 208 R CB -0.713 29.593 30.300 0.010 0.000 0.854 208 R HN -0.134 8.248 8.270 0.187 0.000 0.436 209 F N 0.144 120.064 119.950 -0.050 0.000 2.102 209 F HA -0.353 nan 4.527 nan 0.000 0.298 209 F C 1.643 177.408 175.800 -0.059 0.000 1.105 209 F CA 3.549 61.494 58.000 -0.092 0.000 1.239 209 F CB 0.023 38.909 39.000 -0.190 0.000 0.991 209 F HN -0.607 7.850 8.300 0.262 0.000 0.474 210 F N 0.483 120.358 119.950 -0.124 0.000 2.102 210 F HA -0.447 nan 4.527 nan 0.000 0.298 210 F C 1.547 177.230 175.800 -0.195 0.000 1.105 210 F CA 3.857 61.752 58.000 -0.174 0.000 1.239 210 F CB 0.197 39.187 39.000 -0.018 0.000 0.991 210 F HN -0.049 8.465 8.300 0.356 0.000 0.474 211 I N -1.754 118.712 120.570 -0.174 0.000 2.076 211 I HA -0.714 nan 4.170 nan 0.000 0.237 211 I C 1.721 177.660 176.117 -0.297 0.000 1.059 211 I CA 4.513 65.675 61.300 -0.230 0.000 1.317 211 I CB -0.243 37.651 38.000 -0.178 0.000 1.037 211 I HN 0.317 8.525 8.210 -0.003 0.000 0.398 212 S N -0.761 114.755 115.700 -0.306 0.000 2.387 212 S HA -0.204 nan 4.470 nan 0.000 0.226 212 S C 1.736 176.138 174.600 -0.331 0.000 1.026 212 S CA 2.785 60.819 58.200 -0.277 0.000 0.972 212 S CB -0.001 63.064 63.200 -0.225 0.000 0.814 212 S HN -0.183 7.946 8.310 -0.301 0.000 0.477 213 S N 0.108 115.502 115.700 -0.510 0.000 2.486 213 S HA 0.094 nan 4.470 nan 0.000 0.220 213 S C 0.097 174.372 174.600 -0.541 0.000 1.011 213 S CA 2.398 60.252 58.200 -0.576 0.000 0.921 213 S CB 0.906 63.564 63.200 -0.903 0.000 0.785 213 S HN -0.130 7.815 8.310 -0.608 0.000 0.517 214 I N -0.218 119.988 120.570 -0.607 0.000 3.523 214 I HA 0.047 nan 4.170 nan 0.000 0.244 214 I C 1.474 177.332 176.117 -0.431 0.000 1.110 214 I CA 0.556 61.577 61.300 -0.466 0.000 1.517 214 I CB -0.201 37.555 38.000 -0.407 0.000 1.505 214 I HN -0.613 7.184 8.210 -0.687 0.000 0.460 215 Y N 1.603 121.372 120.300 -0.885 0.000 2.165 215 Y HA -0.453 nan 4.550 nan 0.000 0.286 215 Y C 2.571 178.257 175.900 -0.356 0.000 1.155 215 Y CA 3.436 61.143 58.100 -0.655 0.000 1.164 215 Y CB -0.152 37.825 38.460 -0.805 0.000 0.978 215 Y HN 0.256 7.900 8.280 -1.061 0.000 0.513 216 D N -1.561 118.670 120.400 -0.282 0.000 2.178 216 D HA -0.280 nan 4.640 nan 0.000 0.201 216 D C 1.216 177.376 176.300 -0.233 0.000 0.980 216 D CA 3.309 57.168 54.000 -0.235 0.000 0.842 216 D CB 0.019 40.705 40.800 -0.190 0.000 0.948 216 D HN -0.231 7.960 8.370 -0.298 0.000 0.472 217 K N -4.361 115.897 120.400 -0.236 0.000 2.387 217 K HA 0.076 nan 4.320 nan 0.000 0.198 217 K C -0.808 175.682 176.600 -0.182 0.000 1.022 217 K CA -0.889 55.288 56.287 -0.184 0.000 1.128 217 K CB 0.311 32.715 32.500 -0.158 0.000 0.853 217 K HN -0.695 7.266 8.250 -0.266 0.129 0.523 218 E N 0.716 120.766 120.200 -0.250 0.000 2.194 218 E HA 0.021 nan 4.350 nan 0.000 0.284 218 E C 0.486 176.956 176.600 -0.217 0.000 1.035 218 E CA -1.255 55.010 56.400 -0.226 0.000 0.836 218 E CB 0.475 30.000 29.700 -0.290 0.000 1.070 218 E HN -0.567 7.395 8.360 -0.325 0.204 0.401 219 Q N 7.542 127.262 119.800 -0.135 0.000 2.170 219 Q HA -0.187 nan 4.340 nan 0.000 0.203 219 Q C 0.549 176.483 176.000 -0.110 0.000 0.976 219 Q CA 2.605 58.344 55.803 -0.107 0.000 0.858 219 Q CB 0.158 28.855 28.738 -0.067 0.000 0.907 219 Q HN 0.681 8.888 8.270 -0.105 0.000 0.433 220 S N -3.292 112.344 115.700 -0.107 0.000 2.622 220 S HA 0.127 nan 4.470 nan 0.000 0.236 220 S C -0.269 174.258 174.600 -0.123 0.000 0.956 220 S CA -0.412 57.741 58.200 -0.079 0.000 0.971 220 S CB 0.437 63.623 63.200 -0.022 0.000 0.782 220 S HN -0.267 7.958 8.310 -0.102 0.023 0.468 221 K N 1.546 121.773 120.400 -0.289 0.000 2.414 221 K HA -0.144 nan 4.320 nan 0.000 0.272 221 K C -0.506 175.969 176.600 -0.208 0.000 0.993 221 K CA -0.003 55.954 56.287 -0.550 0.000 0.964 221 K CB 0.251 32.218 32.500 -0.888 0.000 0.925 221 K HN -0.717 7.277 8.250 -0.289 0.083 0.487 222 N N 2.772 121.470 118.700 -0.003 0.000 2.439 222 N HA 0.045 nan 4.740 nan 0.000 0.249 222 N C 0.254 175.826 175.510 0.104 0.000 1.003 222 N CA -1.073 52.040 53.050 0.104 0.000 0.942 222 N CB 1.018 39.624 38.487 0.198 0.000 1.115 222 N HN 0.046 8.523 8.380 0.163 0.000 0.505 223 N N 6.991 125.712 118.700 0.035 0.000 2.205 223 N HA -0.298 nan 4.740 nan 0.000 0.186 223 N C 1.854 177.414 175.510 0.084 0.000 1.015 223 N CA 3.254 56.325 53.050 0.035 0.000 0.862 223 N CB -0.095 38.394 38.487 0.004 0.000 0.986 223 N HN 0.515 8.902 8.380 0.011 0.000 0.429 224 V N 1.115 121.085 119.914 0.093 0.000 2.295 224 V HA -0.342 nan 4.120 nan 0.000 0.246 224 V C 1.792 178.008 176.094 0.203 0.000 1.049 224 V CA 3.970 66.335 62.300 0.110 0.000 1.024 224 V CB -0.763 31.107 31.823 0.078 0.000 0.648 224 V HN -0.255 8.100 8.190 0.080 -0.118 0.447 225 L N -1.892 119.469 121.223 0.231 0.000 2.056 225 L HA -0.360 nan 4.340 nan 0.000 0.207 225 L C 2.169 179.202 176.870 0.270 0.000 1.078 225 L CA 3.077 58.081 54.840 0.275 0.000 0.749 225 L CB -0.620 41.573 42.059 0.223 0.000 0.901 225 L HN -0.244 8.444 8.230 0.199 -0.339 0.433 226 L N -0.761 120.639 121.223 0.296 0.000 2.017 226 L HA -0.358 nan 4.340 nan 0.000 0.208 226 L C 1.656 178.619 176.870 0.155 0.000 1.073 226 L CA 3.321 58.307 54.840 0.243 0.000 0.745 226 L CB -0.534 41.621 42.059 0.160 0.000 0.894 226 L HN 0.107 8.518 8.230 0.300 0.000 0.432 227 R N -0.674 119.911 120.500 0.143 0.000 2.083 227 R HA -0.360 nan 4.340 nan 0.000 0.237 227 R C 2.079 178.490 176.300 0.184 0.000 1.137 227 R CA 2.702 58.870 56.100 0.113 0.000 0.951 227 R CB -0.764 29.586 30.300 0.084 0.000 0.851 227 R HN -0.095 8.261 8.270 0.142 0.000 0.434 228 F N -0.044 119.932 119.950 0.044 0.000 2.069 228 F HA -0.330 nan 4.527 nan 0.000 0.298 228 F C 1.326 177.175 175.800 0.082 0.000 1.113 228 F CA 1.158 59.191 58.000 0.054 0.000 1.214 228 F CB -0.557 38.491 39.000 0.079 0.000 0.978 228 F HN -0.107 8.398 8.300 0.342 0.000 0.474 229 A N -1.575 121.328 122.820 0.139 0.000 1.908 229 A HA -0.447 nan 4.320 nan 0.000 0.218 229 A C 2.226 179.877 177.584 0.112 0.000 1.181 229 A CA 3.460 55.520 52.037 0.038 0.000 0.627 229 A CB -0.785 18.237 19.000 0.037 0.000 0.818 229 A HN 0.397 8.659 8.150 0.186 0.000 0.445 230 K N -1.486 118.966 120.400 0.087 0.000 2.026 230 K HA -0.307 nan 4.320 nan 0.000 0.208 230 K C 2.510 179.130 176.600 0.033 0.000 1.048 230 K CA 3.329 59.643 56.287 0.045 0.000 0.929 230 K CB -0.097 32.403 32.500 0.001 0.000 0.713 230 K HN -0.397 7.909 8.250 0.094 0.000 0.439 231 L N -1.030 120.175 121.223 -0.030 0.000 2.017 231 L HA -0.440 nan 4.340 nan 0.000 0.208 231 L C 1.967 178.816 176.870 -0.035 0.000 1.073 231 L CA 3.091 57.786 54.840 -0.242 0.000 0.745 231 L CB -0.553 41.379 42.059 -0.213 0.000 0.894 231 L HN -0.196 8.054 8.230 0.034 0.000 0.432 232 D N -0.782 119.722 120.400 0.173 0.000 2.104 232 D HA -0.344 nan 4.640 nan 0.000 0.194 232 D C 1.971 178.415 176.300 0.240 0.000 0.994 232 D CA 4.181 58.341 54.000 0.266 0.000 0.830 232 D CB 0.129 41.123 40.800 0.323 0.000 0.959 232 D HN -0.132 8.369 8.370 0.218 0.000 0.452 233 F N 0.081 120.085 119.950 0.090 0.000 2.095 233 F HA -0.441 nan 4.527 nan 0.000 0.298 233 F C 1.416 177.262 175.800 0.077 0.000 1.104 233 F CA 3.803 61.848 58.000 0.074 0.000 1.232 233 F CB 0.186 39.212 39.000 0.042 0.000 0.987 233 F HN -0.227 8.276 8.300 0.337 0.000 0.475 234 N N -0.887 118.023 118.700 0.350 0.000 2.120 234 N HA -0.336 nan 4.740 nan 0.000 0.188 234 N C 2.347 178.002 175.510 0.242 0.000 1.024 234 N CA 2.960 56.188 53.050 0.298 0.000 0.852 234 N CB -0.439 38.213 38.487 0.275 0.000 1.003 234 N HN -0.332 8.243 8.380 0.326 0.000 0.424 235 L N 0.775 122.141 121.223 0.237 0.000 2.027 235 L HA -0.235 nan 4.340 nan 0.000 0.206 235 L C 1.437 178.344 176.870 0.062 0.000 1.074 235 L CA 3.064 58.056 54.840 0.254 0.000 0.745 235 L CB -0.235 41.992 42.059 0.280 0.000 0.898 235 L HN 0.015 8.354 8.230 0.181 0.000 0.433 236 L N -2.789 118.409 121.223 -0.042 0.000 2.079 236 L HA -0.520 nan 4.340 nan 0.000 0.210 236 L C 2.107 178.600 176.870 -0.628 0.000 1.081 236 L CA 3.147 57.807 54.840 -0.300 0.000 0.752 236 L CB -0.758 41.149 42.059 -0.252 0.000 0.896 236 L HN -0.028 8.220 8.230 0.029 0.000 0.433 237 Q N -1.028 118.544 119.800 -0.381 0.000 2.135 237 Q HA -0.376 nan 4.340 nan 0.000 0.204 237 Q C 2.392 178.282 176.000 -0.183 0.000 0.981 237 Q CA 3.315 58.974 55.803 -0.240 0.000 0.856 237 Q CB -0.216 28.480 28.738 -0.069 0.000 0.902 237 Q HN -0.097 7.934 8.270 -0.255 0.086 0.425 238 M N -1.563 117.991 119.600 -0.077 0.000 2.117 238 M HA -0.406 nan 4.480 nan 0.000 0.262 238 M C 2.316 178.625 176.300 0.015 0.000 1.065 238 M CA 3.584 58.905 55.300 0.036 0.000 1.114 238 M CB -0.250 32.498 32.600 0.245 0.000 1.361 238 M HN -0.701 7.470 8.290 -0.019 0.108 0.408 239 L N -0.744 120.439 121.223 -0.067 0.000 2.017 239 L HA -0.405 nan 4.340 nan 0.000 0.208 239 L C 1.577 178.444 176.870 -0.005 0.000 1.073 239 L CA 3.293 58.108 54.840 -0.041 0.000 0.745 239 L CB -0.569 41.431 42.059 -0.099 0.000 0.894 239 L HN -0.678 7.394 8.230 -0.127 0.083 0.432 240 H N -1.605 117.460 119.070 -0.009 0.000 2.422 240 H HA -0.436 nan 4.556 nan 0.000 0.298 240 H C 2.693 177.893 175.328 -0.214 0.000 1.098 240 H CA 3.474 59.528 56.048 0.011 0.000 1.315 240 H CB -0.218 29.579 29.762 0.058 0.000 1.382 240 H HN 0.037 7.998 8.280 -0.418 0.069 0.523 241 K N -1.260 119.041 120.400 -0.165 0.000 2.155 241 K HA -0.307 nan 4.320 nan 0.000 0.203 241 K C 2.349 178.860 176.600 -0.147 0.000 1.052 241 K CA 3.251 59.327 56.287 -0.351 0.000 0.948 241 K CB -0.217 31.740 32.500 -0.905 0.000 0.728 241 K HN 0.150 8.191 8.250 -0.158 0.114 0.448 242 Q N -0.692 119.125 119.800 0.028 0.000 2.119 242 Q HA -0.286 nan 4.340 nan 0.000 0.201 242 Q C 2.567 178.591 176.000 0.038 0.000 0.972 242 Q CA 3.259 59.144 55.803 0.137 0.000 0.847 242 Q CB -0.024 28.808 28.738 0.155 0.000 0.903 242 Q HN -0.371 7.796 8.270 0.020 0.114 0.433 243 E N 0.511 120.705 120.200 -0.010 0.000 2.047 243 E HA -0.322 nan 4.350 nan 0.000 0.191 243 E C 2.443 178.939 176.600 -0.172 0.000 0.987 243 E CA 2.971 59.361 56.400 -0.017 0.000 0.799 243 E CB -0.108 29.665 29.700 0.122 0.000 0.752 243 E HN -0.224 8.123 8.360 0.002 0.015 0.449 244 L N -0.521 120.411 121.223 -0.486 0.000 2.046 244 L HA -0.319 nan 4.340 nan 0.000 0.208 244 L C 1.549 178.293 176.870 -0.210 0.000 1.077 244 L CA 2.978 57.441 54.840 -0.628 0.000 0.747 244 L CB -0.584 40.924 42.059 -0.918 0.000 0.896 244 L HN -0.092 7.837 8.230 -0.501 0.000 0.432 245 A N -1.851 120.923 122.820 -0.076 0.000 1.858 245 A HA -0.428 nan 4.320 nan 0.000 0.216 245 A C 1.840 179.475 177.584 0.085 0.000 1.190 245 A CA 3.280 55.357 52.037 0.067 0.000 0.617 245 A CB -0.993 18.091 19.000 0.139 0.000 0.827 245 A HN 0.033 8.121 8.150 -0.103 0.000 0.443 246 Q N -1.051 118.790 119.800 0.068 0.000 2.061 246 Q HA -0.342 nan 4.340 nan 0.000 0.204 246 Q C 2.422 178.507 176.000 0.141 0.000 0.984 246 Q CA 3.433 59.292 55.803 0.094 0.000 0.846 246 Q CB 0.126 28.904 28.738 0.065 0.000 0.902 246 Q HN -0.325 7.970 8.270 0.041 0.000 0.421 247 V N -0.442 119.536 119.914 0.107 0.000 2.548 247 V HA -0.356 nan 4.120 nan 0.000 0.249 247 V C 2.226 178.532 176.094 0.352 0.000 1.055 247 V CA 3.804 66.213 62.300 0.182 0.000 1.065 247 V CB -0.721 31.137 31.823 0.058 0.000 0.681 247 V HN 0.067 8.280 8.190 0.039 0.000 0.462 248 S N 0.306 116.136 115.700 0.218 0.000 2.368 248 S HA -0.286 nan 4.470 nan 0.000 0.224 248 S C 1.959 176.734 174.600 0.291 0.000 1.029 248 S CA 4.258 62.605 58.200 0.245 0.000 0.988 248 S CB -0.410 62.890 63.200 0.167 0.000 0.838 248 S HN -0.029 8.266 8.310 0.122 0.088 0.462 249 R N 1.722 122.364 120.500 0.237 0.000 2.081 249 R HA -0.332 nan 4.340 nan 0.000 0.235 249 R C 1.894 178.321 176.300 0.211 0.000 1.131 249 R CA 3.446 59.659 56.100 0.188 0.000 0.960 249 R CB -0.081 30.309 30.300 0.151 0.000 0.856 249 R HN -0.372 8.023 8.270 0.208 0.000 0.436 250 W N 0.405 121.758 121.300 0.088 0.000 2.338 250 W HA -0.386 nan 4.660 nan 0.000 0.304 250 W C 1.340 177.902 176.519 0.072 0.000 1.212 250 W CA 3.320 60.705 57.345 0.067 0.000 1.264 250 W CB -0.257 29.257 29.460 0.090 0.000 1.142 250 W HN -0.432 7.942 8.180 0.441 0.071 0.512 251 W N -1.413 119.850 121.300 -0.062 0.000 2.358 251 W HA -0.567 nan 4.660 nan 0.000 0.303 251 W C 1.620 177.919 176.519 -0.367 0.000 1.208 251 W CA 3.017 60.138 57.345 -0.374 0.000 1.274 251 W CB 0.387 29.851 29.460 0.007 0.000 1.138 251 W HN -0.205 8.285 8.180 0.658 0.086 0.515 252 K N -2.709 117.666 120.400 -0.041 0.000 2.097 252 K HA -0.375 nan 4.320 nan 0.000 0.206 252 K C 2.533 178.970 176.600 -0.271 0.000 1.049 252 K CA 3.259 59.471 56.287 -0.124 0.000 0.933 252 K CB -0.322 32.189 32.500 0.019 0.000 0.717 252 K HN -0.557 7.787 8.250 0.158 0.000 0.442 253 D N -0.117 120.113 120.400 -0.282 0.000 2.117 253 D HA -0.212 nan 4.640 nan 0.000 0.197 253 D C 1.705 177.721 176.300 -0.473 0.000 0.987 253 D CA 2.581 56.401 54.000 -0.300 0.000 0.829 253 D CB -0.443 40.216 40.800 -0.235 0.000 0.961 253 D HN -0.466 7.763 8.370 -0.214 0.012 0.460 254 L N -2.062 118.681 121.223 -0.800 0.000 2.191 254 L HA -0.223 nan 4.340 nan 0.000 0.212 254 L C 0.350 176.661 176.870 -0.932 0.000 1.103 254 L CA 1.652 55.815 54.840 -1.128 0.000 0.769 254 L CB 0.083 40.924 42.059 -2.029 0.000 0.908 254 L HN -0.649 7.053 8.230 -0.880 0.000 0.438 255 D N -2.629 117.337 120.400 -0.724 0.000 2.751 255 D HA -0.315 nan 4.640 nan 0.000 0.233 255 D C 0.602 176.733 176.300 -0.282 0.000 1.149 255 D CA 1.333 55.088 54.000 -0.408 0.000 0.682 255 D CB -1.445 39.214 40.800 -0.236 0.000 1.068 255 D HN -0.656 7.122 8.370 -0.736 0.150 0.429 256 F N -2.410 117.227 119.950 -0.520 0.000 2.333 256 F HA -0.294 nan 4.527 nan 0.000 0.300 256 F C 2.129 177.766 175.800 -0.271 0.000 1.083 256 F CA 1.613 59.353 58.000 -0.434 0.000 1.395 256 F CB -0.905 37.719 39.000 -0.627 0.000 1.056 256 F HN -0.090 7.594 8.300 -0.990 0.022 0.529 257 V N -1.668 118.220 119.914 -0.042 0.000 2.324 257 V HA -0.373 nan 4.120 nan 0.000 0.250 257 V C 1.325 177.422 176.094 0.005 0.000 1.060 257 V CA 3.283 65.593 62.300 0.016 0.000 1.042 257 V CB -1.015 30.829 31.823 0.035 0.000 0.650 257 V HN 0.090 8.142 8.190 -0.158 0.043 0.450 258 T N -6.853 107.694 114.554 -0.010 0.000 2.983 258 T HA 0.139 nan 4.350 nan 0.000 0.250 258 T C 1.665 176.368 174.700 0.004 0.000 1.037 258 T CA 1.799 63.898 62.100 -0.002 0.000 1.142 258 T CB 0.536 69.399 68.868 -0.009 0.000 0.876 258 T HN -0.373 7.841 8.240 -0.032 0.006 0.455 259 T N -0.323 114.238 114.554 0.011 0.000 2.857 259 T HA -0.079 nan 4.350 nan 0.000 0.266 259 T C 0.526 175.231 174.700 0.009 0.000 1.048 259 T CA 1.723 63.840 62.100 0.028 0.000 1.139 259 T CB 0.327 69.235 68.868 0.065 0.000 0.874 259 T HN -0.331 7.914 8.240 0.008 0.000 0.455 260 L N 1.611 122.806 121.223 -0.046 0.000 2.495 260 L HA 0.555 nan 4.340 nan 0.000 0.248 260 L C -1.714 175.044 176.870 -0.187 0.000 1.229 260 L CA -3.106 51.640 54.840 -0.156 0.000 0.942 260 L CB 0.818 42.611 42.059 -0.442 0.000 1.242 260 L HN -0.090 8.005 8.230 -0.023 0.121 0.484 261 P HA -0.019 nan 4.420 nan 0.000 0.261 261 P C -1.425 175.905 177.300 0.050 0.000 1.650 261 P CA 0.493 63.592 63.100 -0.003 0.000 0.846 261 P CB -1.921 29.797 31.700 0.031 0.000 1.758 262 Y N -3.635 116.582 120.300 -0.137 0.000 2.767 262 Y HA 0.268 nan 4.550 nan 0.000 0.254 262 Y C -1.795 174.080 175.900 -0.041 0.000 1.133 262 Y CA -2.012 56.022 58.100 -0.110 0.000 1.225 262 Y CB 0.543 38.838 38.460 -0.275 0.000 1.312 262 Y HN -0.266 7.678 8.280 -0.384 0.105 0.560 263 A N 1.403 124.045 122.820 -0.297 0.000 2.414 263 A HA 0.286 nan 4.320 nan 0.000 0.306 263 A C -1.244 176.360 177.584 0.033 0.000 1.054 263 A CA -0.302 51.641 52.037 -0.157 0.000 0.724 263 A CB 1.953 20.787 19.000 -0.277 0.000 1.267 263 A HN -0.813 7.165 8.150 -0.286 0.000 0.418 264 R N 1.466 122.021 120.500 0.092 0.000 2.573 264 R HA 0.230 nan 4.340 nan 0.000 0.272 264 R C 0.019 176.431 176.300 0.185 0.000 1.009 264 R CA -1.864 54.315 56.100 0.131 0.000 1.059 264 R CB 0.663 31.018 30.300 0.092 0.000 1.112 264 R HN 0.270 8.585 8.270 0.074 0.000 0.517 265 D N 0.459 120.978 120.400 0.199 0.000 2.489 265 D HA -0.093 nan 4.640 nan 0.000 0.237 265 D C 0.130 176.425 176.300 -0.008 0.000 1.212 265 D CA 0.225 54.306 54.000 0.135 0.000 1.058 265 D CB -0.469 40.463 40.800 0.220 0.000 1.098 265 D HN 0.386 8.869 8.370 0.188 0.000 0.509 266 R N 4.137 124.564 120.500 -0.123 0.000 2.426 266 R HA 0.116 nan 4.340 nan 0.000 0.263 266 R C 0.543 176.732 176.300 -0.185 0.000 0.961 266 R CA -0.164 55.887 56.100 -0.082 0.000 1.086 266 R CB 0.086 30.354 30.300 -0.054 0.000 1.186 266 R HN -0.191 7.952 8.270 -0.168 0.027 0.537 267 V N -0.186 119.506 119.914 -0.369 0.000 2.324 267 V HA -0.426 nan 4.120 nan 0.000 0.250 267 V C 1.750 177.753 176.094 -0.152 0.000 1.060 267 V CA 4.082 66.174 62.300 -0.346 0.000 1.042 267 V CB -0.632 30.928 31.823 -0.439 0.000 0.650 267 V HN -0.103 7.707 8.190 -0.474 0.095 0.450 268 V N -1.912 117.907 119.914 -0.158 0.000 2.343 268 V HA -0.461 nan 4.120 nan 0.000 0.247 268 V C 2.152 178.204 176.094 -0.071 0.000 1.051 268 V CA 4.048 66.186 62.300 -0.271 0.000 1.036 268 V CB -0.831 30.589 31.823 -0.671 0.000 0.654 268 V HN 0.169 8.289 8.190 -0.117 0.000 0.451 269 E N -0.360 119.857 120.200 0.027 0.000 2.077 269 E HA -0.248 nan 4.350 nan 0.000 0.193 269 E C 2.129 178.853 176.600 0.207 0.000 0.989 269 E CA 2.973 59.471 56.400 0.163 0.000 0.800 269 E CB -0.780 29.002 29.700 0.136 0.000 0.746 269 E HN -0.490 7.882 8.360 0.020 0.000 0.452 270 C N 0.257 119.573 119.300 0.026 0.000 2.425 270 C HA -0.197 nan 4.460 nan 0.000 0.277 270 C C 2.010 177.039 174.990 0.065 0.000 1.280 270 C CA 4.511 63.511 59.018 -0.031 0.000 1.744 270 C CB -1.874 25.811 27.740 -0.093 0.000 1.989 270 C HN 0.094 8.306 8.230 -0.031 0.000 0.491 271 Y N 1.219 121.506 120.300 -0.021 0.000 2.242 271 Y HA -0.421 nan 4.550 nan 0.000 0.291 271 Y C 1.095 176.994 175.900 -0.001 0.000 1.137 271 Y CA 3.399 61.469 58.100 -0.051 0.000 1.181 271 Y CB 0.023 38.397 38.460 -0.143 0.000 0.989 271 Y HN -0.003 8.258 8.280 0.135 0.101 0.527 272 F N 0.696 120.635 119.950 -0.018 0.000 2.095 272 F HA -0.504 nan 4.527 nan 0.000 0.298 272 F C 1.329 177.084 175.800 -0.075 0.000 1.104 272 F CA 4.037 62.007 58.000 -0.051 0.000 1.232 272 F CB -0.106 38.929 39.000 0.059 0.000 0.987 272 F HN -0.192 8.220 8.300 0.327 0.084 0.475 273 W N -1.893 119.294 121.300 -0.188 0.000 2.335 273 W HA -0.512 nan 4.660 nan 0.000 0.311 273 W C 2.064 178.327 176.519 -0.427 0.000 1.213 273 W CA 4.545 61.727 57.345 -0.272 0.000 1.274 273 W CB -0.857 28.547 29.460 -0.093 0.000 1.148 273 W HN -0.242 8.308 8.180 0.618 0.000 0.498 274 A N -1.785 120.923 122.820 -0.186 0.000 1.933 274 A HA -0.299 nan 4.320 nan 0.000 0.218 274 A C 2.080 179.412 177.584 -0.420 0.000 1.175 274 A CA 2.891 54.748 52.037 -0.299 0.000 0.628 274 A CB -0.899 17.922 19.000 -0.298 0.000 0.814 274 A HN -0.362 7.722 8.150 -0.111 0.000 0.444 275 L N -2.293 118.543 121.223 -0.646 0.000 2.141 275 L HA -0.237 nan 4.340 nan 0.000 0.209 275 L C 1.655 178.223 176.870 -0.503 0.000 1.094 275 L CA 2.181 56.649 54.840 -0.620 0.000 0.763 275 L CB -0.414 41.207 42.059 -0.731 0.000 0.908 275 L HN 0.020 7.711 8.230 -0.744 0.092 0.437 276 G N -2.398 106.009 108.800 -0.655 0.000 2.408 276 G HA2 -0.177 nan 3.960 nan 0.000 0.217 276 G HA3 -0.177 nan 3.960 nan 0.000 0.217 276 G C 0.423 175.061 174.900 -0.437 0.000 1.150 276 G CA 1.668 46.410 45.100 -0.597 0.000 0.776 276 G HN -0.320 7.399 8.290 -0.745 0.125 0.542 277 V N -0.601 119.011 119.914 -0.502 0.000 2.427 277 V HA -0.083 nan 4.120 nan 0.000 0.248 277 V C -0.485 175.201 176.094 -0.681 0.000 1.051 277 V CA 2.298 64.193 62.300 -0.675 0.000 1.048 277 V CB 0.020 31.279 31.823 -0.941 0.000 0.666 277 V HN -0.601 7.192 8.190 -0.500 0.097 0.456 278 Y N -7.646 112.460 120.300 -0.324 0.000 2.409 278 Y HA 0.263 nan 4.550 nan 0.000 0.321 278 Y C -1.334 174.415 175.900 -0.252 0.000 1.209 278 Y CA -2.790 55.100 58.100 -0.350 0.000 1.086 278 Y CB 0.758 38.873 38.460 -0.576 0.000 1.320 278 Y HN -0.572 7.568 8.280 -0.233 0.000 0.440 279 F N -1.371 118.549 119.950 -0.051 0.000 2.727 279 F HA 0.277 nan 4.527 nan 0.000 0.302 279 F C -0.452 175.326 175.800 -0.037 0.000 1.107 279 F CA -1.028 56.902 58.000 -0.116 0.000 1.277 279 F CB 0.817 39.706 39.000 -0.186 0.000 1.079 279 F HN -0.046 7.950 8.300 -0.507 0.000 0.594 280 E N 3.631 123.342 120.200 -0.814 0.000 2.437 280 E HA 0.021 nan 4.350 nan 0.000 0.263 280 E C -0.631 175.769 176.600 -0.334 0.000 1.030 280 E CA -0.189 55.774 56.400 -0.728 0.000 0.934 280 E CB -0.883 28.362 29.700 -0.757 0.000 0.943 280 E HN -0.027 7.743 8.360 -0.985 0.000 0.444 281 P HA -0.248 nan 4.420 nan 0.000 0.218 281 P C 1.071 178.228 177.300 -0.237 0.000 1.148 281 P CA 2.828 65.830 63.100 -0.163 0.000 0.822 281 P CB 0.073 31.723 31.700 -0.083 0.000 0.784 282 Q N -2.797 116.763 119.800 -0.400 0.000 2.291 282 Q HA -0.224 nan 4.340 nan 0.000 0.206 282 Q C 0.652 176.293 176.000 -0.599 0.000 0.976 282 Q CA 2.365 57.859 55.803 -0.516 0.000 0.875 282 Q CB -1.082 27.241 28.738 -0.690 0.000 0.927 282 Q HN 0.438 8.428 8.270 -0.432 0.021 0.450 283 Y N -2.654 117.438 120.300 -0.346 0.000 2.583 283 Y HA 0.230 nan 4.550 nan 0.000 0.294 283 Y C 0.556 176.205 175.900 -0.418 0.000 1.170 283 Y CA -1.796 55.993 58.100 -0.519 0.000 1.265 283 Y CB -1.206 36.707 38.460 -0.911 0.000 1.119 283 Y HN -0.499 7.324 8.280 -0.505 0.155 0.522 284 S N 1.140 116.752 115.700 -0.147 0.000 2.353 284 S HA -0.443 nan 4.470 nan 0.000 0.222 284 S C 1.735 176.295 174.600 -0.066 0.000 1.035 284 S CA 4.491 62.650 58.200 -0.068 0.000 1.025 284 S CB -0.146 63.029 63.200 -0.041 0.000 0.902 284 S HN -0.395 7.721 8.310 -0.177 0.088 0.440 285 Q N 1.390 121.142 119.800 -0.080 0.000 2.084 285 Q HA -0.281 nan 4.340 nan 0.000 0.202 285 Q C 1.517 177.465 176.000 -0.087 0.000 0.978 285 Q CA 3.249 59.014 55.803 -0.063 0.000 0.844 285 Q CB -0.376 28.330 28.738 -0.053 0.000 0.898 285 Q HN 0.403 8.618 8.270 -0.093 0.000 0.426 286 A N -0.209 122.527 122.820 -0.138 0.000 1.883 286 A HA -0.328 nan 4.320 nan 0.000 0.217 286 A C 2.357 179.882 177.584 -0.098 0.000 1.186 286 A CA 2.908 54.847 52.037 -0.162 0.000 0.624 286 A CB -1.043 17.741 19.000 -0.360 0.000 0.822 286 A HN 0.241 8.300 8.150 -0.152 0.000 0.444 287 R N -1.916 118.504 120.500 -0.134 0.000 2.073 287 R HA -0.354 nan 4.340 nan 0.000 0.234 287 R C 2.320 178.613 176.300 -0.012 0.000 1.134 287 R CA 3.588 59.684 56.100 -0.005 0.000 0.952 287 R CB -0.015 30.260 30.300 -0.042 0.000 0.850 287 R HN -0.055 8.076 8.270 -0.231 0.000 0.433 288 V N 0.192 120.098 119.914 -0.013 0.000 2.295 288 V HA -0.445 nan 4.120 nan 0.000 0.246 288 V C 2.180 178.225 176.094 -0.082 0.000 1.049 288 V CA 4.382 66.664 62.300 -0.030 0.000 1.024 288 V CB -0.795 31.010 31.823 -0.031 0.000 0.648 288 V HN -0.327 7.850 8.190 -0.022 0.000 0.447 289 M N -1.526 118.027 119.600 -0.079 0.000 2.117 289 M HA -0.436 nan 4.480 nan 0.000 0.262 289 M C 2.180 178.417 176.300 -0.106 0.000 1.065 289 M CA 4.062 59.294 55.300 -0.113 0.000 1.114 289 M CB -0.146 32.243 32.600 -0.351 0.000 1.361 289 M HN -0.393 7.850 8.290 -0.078 0.000 0.408 290 L N -0.827 120.342 121.223 -0.090 0.000 2.046 290 L HA -0.284 nan 4.340 nan 0.000 0.208 290 L C 1.711 178.543 176.870 -0.065 0.000 1.077 290 L CA 3.352 58.147 54.840 -0.075 0.000 0.747 290 L CB -0.693 41.349 42.059 -0.028 0.000 0.896 290 L HN 0.012 8.203 8.230 -0.066 0.000 0.432 291 V N -0.851 119.024 119.914 -0.064 0.000 2.287 291 V HA -0.605 nan 4.120 nan 0.000 0.248 291 V C 2.185 178.241 176.094 -0.063 0.000 1.053 291 V CA 4.846 67.115 62.300 -0.053 0.000 1.027 291 V CB -1.166 30.656 31.823 -0.002 0.000 0.646 291 V HN 0.288 8.442 8.190 -0.060 0.000 0.447 292 K N -1.761 118.533 120.400 -0.177 0.000 2.063 292 K HA -0.409 nan 4.320 nan 0.000 0.208 292 K C 2.398 179.074 176.600 0.127 0.000 1.048 292 K CA 3.853 59.988 56.287 -0.254 0.000 0.928 292 K CB -0.497 31.650 32.500 -0.588 0.000 0.713 292 K HN -0.367 7.766 8.250 -0.195 0.000 0.442 293 T N 2.993 117.620 114.554 0.120 0.000 2.708 293 T HA -0.216 nan 4.350 nan 0.000 0.266 293 T C 2.034 176.825 174.700 0.153 0.000 1.037 293 T CA 5.066 67.265 62.100 0.166 0.000 1.146 293 T CB -0.585 68.301 68.868 0.029 0.000 0.865 293 T HN -0.575 7.711 8.240 0.077 0.000 0.435 294 I N 0.768 121.365 120.570 0.046 0.000 2.208 294 I HA -0.606 nan 4.170 nan 0.000 0.245 294 I C 1.816 177.980 176.117 0.078 0.000 1.097 294 I CA 4.326 65.631 61.300 0.008 0.000 1.363 294 I CB -0.406 37.536 38.000 -0.096 0.000 1.051 294 I HN -0.017 8.193 8.210 0.001 0.000 0.413 295 S N -0.079 115.706 115.700 0.142 0.000 2.355 295 S HA -0.313 nan 4.470 nan 0.000 0.222 295 S C 2.142 176.996 174.600 0.423 0.000 1.031 295 S CA 3.545 61.876 58.200 0.219 0.000 0.993 295 S CB -0.219 63.181 63.200 0.333 0.000 0.859 295 S HN -0.116 8.267 8.310 0.131 0.006 0.453 296 M N 1.929 121.831 119.600 0.503 0.000 2.067 296 M HA -0.268 nan 4.480 nan 0.000 0.260 296 M C 2.014 178.565 176.300 0.417 0.000 1.069 296 M CA 2.566 58.169 55.300 0.505 0.000 1.117 296 M CB -0.118 32.778 32.600 0.493 0.000 1.334 296 M HN 0.037 8.611 8.290 0.474 0.000 0.407 297 I N -1.393 119.425 120.570 0.414 0.000 2.567 297 I HA -0.385 nan 4.170 nan 0.000 0.257 297 I C 1.304 177.626 176.117 0.343 0.000 1.184 297 I CA 1.770 63.328 61.300 0.429 0.000 1.451 297 I CB -0.427 37.887 38.000 0.523 0.000 1.089 297 I HN 0.286 8.736 8.210 0.401 0.000 0.441 298 S N 0.551 116.404 115.700 0.256 0.000 2.383 298 S HA -0.232 nan 4.470 nan 0.000 0.227 298 S C 2.332 177.042 174.600 0.184 0.000 1.026 298 S CA 3.785 62.089 58.200 0.173 0.000 0.981 298 S CB -0.672 62.589 63.200 0.101 0.000 0.818 298 S HN -0.485 7.841 8.310 0.259 0.139 0.472 299 I N 1.189 121.891 120.570 0.221 0.000 2.179 299 I HA -0.384 nan 4.170 nan 0.000 0.242 299 I C 1.831 178.057 176.117 0.182 0.000 1.088 299 I CA 2.568 63.944 61.300 0.127 0.000 1.357 299 I CB -1.026 37.009 38.000 0.059 0.000 1.051 299 I HN -0.671 7.617 8.210 0.284 0.093 0.409 300 V N 0.380 120.468 119.914 0.291 0.000 2.332 300 V HA -0.532 nan 4.120 nan 0.000 0.248 300 V C 1.741 178.041 176.094 0.343 0.000 1.055 300 V CA 4.827 67.372 62.300 0.409 0.000 1.038 300 V CB -1.183 30.986 31.823 0.577 0.000 0.651 300 V HN -0.401 7.979 8.190 0.317 0.000 0.450 301 D N -1.658 118.860 120.400 0.197 0.000 2.123 301 D HA -0.331 nan 4.640 nan 0.000 0.196 301 D C 1.888 178.194 176.300 0.010 0.000 0.992 301 D CA 3.473 57.411 54.000 -0.104 0.000 0.833 301 D CB -0.178 40.615 40.800 -0.012 0.000 0.954 301 D HN -0.040 8.493 8.370 0.272 0.000 0.455 302 D N -0.918 119.554 120.400 0.121 0.000 2.117 302 D HA -0.252 nan 4.640 nan 0.000 0.197 302 D C 2.411 178.857 176.300 0.244 0.000 0.987 302 D CA 3.113 57.218 54.000 0.175 0.000 0.829 302 D CB -0.388 40.526 40.800 0.189 0.000 0.961 302 D HN -0.239 8.130 8.370 0.138 0.084 0.460 303 T N 3.138 117.869 114.554 0.294 0.000 2.635 303 T HA -0.297 nan 4.350 nan 0.000 0.267 303 T C 2.165 176.859 174.700 -0.010 0.000 1.040 303 T CA 5.018 67.197 62.100 0.132 0.000 1.156 303 T CB -0.374 68.483 68.868 -0.018 0.000 0.863 303 T HN -0.133 8.210 8.240 0.300 0.078 0.430 304 F N -0.804 119.107 119.950 -0.065 0.000 2.293 304 F HA -0.291 nan 4.527 nan 0.000 0.300 304 F C 1.217 176.961 175.800 -0.094 0.000 1.086 304 F CA 3.726 61.674 58.000 -0.086 0.000 1.375 304 F CB -0.165 38.734 39.000 -0.168 0.000 1.045 304 F HN -0.313 8.210 8.300 0.371 0.000 0.516 305 D N -2.181 118.264 120.400 0.075 0.000 2.162 305 D HA -0.125 nan 4.640 nan 0.000 0.205 305 D C 0.676 176.968 176.300 -0.013 0.000 0.964 305 D CA 2.064 56.062 54.000 -0.004 0.000 0.847 305 D CB 0.923 41.711 40.800 -0.020 0.000 0.988 305 D HN -0.426 7.871 8.370 0.090 0.127 0.480 306 A N -4.956 117.880 122.820 0.026 0.000 2.674 306 A HA 0.207 nan 4.320 nan 0.000 0.274 306 A C -1.230 176.349 177.584 -0.008 0.000 1.065 306 A CA 0.546 52.590 52.037 0.013 0.000 0.978 306 A CB 0.869 19.894 19.000 0.042 0.000 1.242 306 A HN -0.139 8.048 8.150 0.062 0.000 0.583 307 Y N -0.718 119.458 120.300 -0.208 0.000 2.921 307 Y HA 0.202 nan 4.550 nan 0.000 0.246 307 Y C 0.426 176.149 175.900 -0.296 0.000 1.030 307 Y CA 0.550 58.425 58.100 -0.375 0.000 1.338 307 Y CB 2.344 40.320 38.460 -0.807 0.000 1.493 307 Y HN -0.426 7.857 8.280 0.004 0.000 0.452 308 G N 1.349 110.122 108.800 -0.046 0.000 2.380 308 G HA2 -0.109 nan 3.960 nan 0.000 0.242 308 G HA3 -0.109 nan 3.960 nan 0.000 0.242 308 G C -1.261 173.587 174.900 -0.087 0.000 1.298 308 G CA 0.268 45.342 45.100 -0.043 0.000 0.878 308 G HN -0.381 7.878 8.290 -0.051 0.000 0.542 309 T N -0.220 114.297 114.554 -0.062 0.000 2.874 309 T HA 0.281 nan 4.350 nan 0.000 0.281 309 T C 1.545 176.229 174.700 -0.026 0.000 0.994 309 T CA -1.921 60.151 62.100 -0.046 0.000 1.015 309 T CB 2.105 70.947 68.868 -0.045 0.000 1.028 309 T HN -0.405 8.091 8.240 -0.027 -0.271 0.523 310 V N 1.515 121.433 119.914 0.007 0.000 2.252 310 V HA -0.479 nan 4.120 nan 0.000 0.255 310 V C 2.356 178.458 176.094 0.015 0.000 1.071 310 V CA 4.293 66.611 62.300 0.030 0.000 1.050 310 V CB -0.598 31.248 31.823 0.038 0.000 0.654 310 V HN 0.552 8.749 8.190 0.011 0.000 0.448 311 K N -2.006 118.394 120.400 0.001 0.000 2.025 311 K HA -0.279 nan 4.320 nan 0.000 0.207 311 K C 2.257 178.845 176.600 -0.020 0.000 1.049 311 K CA 2.938 59.223 56.287 -0.004 0.000 0.933 311 K CB -0.730 31.765 32.500 -0.008 0.000 0.714 311 K HN 0.125 8.374 8.250 -0.002 0.000 0.438 312 E N 0.541 120.718 120.200 -0.038 0.000 2.085 312 E HA -0.342 nan 4.350 nan 0.000 0.194 312 E C 2.663 179.202 176.600 -0.102 0.000 0.994 312 E CA 2.943 59.302 56.400 -0.069 0.000 0.801 312 E CB -0.095 29.571 29.700 -0.057 0.000 0.743 312 E HN -0.760 7.582 8.360 -0.031 0.000 0.453 313 L N -1.589 119.550 121.223 -0.140 0.000 2.046 313 L HA -0.398 nan 4.340 nan 0.000 0.208 313 L C 2.041 178.912 176.870 0.002 0.000 1.077 313 L CA 3.154 57.852 54.840 -0.238 0.000 0.747 313 L CB -0.387 41.510 42.059 -0.269 0.000 0.896 313 L HN 0.304 8.469 8.230 -0.108 0.000 0.432 314 E N -0.628 119.598 120.200 0.042 0.000 2.118 314 E HA -0.386 nan 4.350 nan 0.000 0.195 314 E C 2.032 178.666 176.600 0.056 0.000 0.992 314 E CA 2.873 59.320 56.400 0.077 0.000 0.804 314 E CB -0.549 29.182 29.700 0.052 0.000 0.741 314 E HN -0.533 7.837 8.360 0.017 0.000 0.458 315 A N -1.069 121.762 122.820 0.018 0.000 1.930 315 A HA -0.200 nan 4.320 nan 0.000 0.217 315 A C 1.942 179.518 177.584 -0.012 0.000 1.175 315 A CA 2.838 54.865 52.037 -0.015 0.000 0.627 315 A CB -0.817 18.156 19.000 -0.044 0.000 0.815 315 A HN -0.272 7.794 8.150 0.003 0.087 0.443 316 Y N -0.901 119.328 120.300 -0.118 0.000 2.200 316 Y HA -0.411 nan 4.550 nan 0.000 0.290 316 Y C 2.116 178.049 175.900 0.055 0.000 1.137 316 Y CA 4.062 62.103 58.100 -0.099 0.000 1.163 316 Y CB 0.268 38.635 38.460 -0.155 0.000 0.988 316 Y HN -0.056 8.192 8.280 0.106 0.095 0.518 317 T N 1.764 116.473 114.554 0.258 0.000 2.788 317 T HA -0.438 nan 4.350 nan 0.000 0.268 317 T C 2.007 176.759 174.700 0.087 0.000 1.044 317 T CA 5.099 67.347 62.100 0.248 0.000 1.139 317 T CB -0.880 68.158 68.868 0.283 0.000 0.867 317 T HN 0.315 8.724 8.240 0.282 0.000 0.454 318 D N 1.815 122.236 120.400 0.035 0.000 2.097 318 D HA -0.206 nan 4.640 nan 0.000 0.197 318 D C 1.513 177.788 176.300 -0.042 0.000 0.984 318 D CA 3.956 57.955 54.000 -0.002 0.000 0.826 318 D CB -0.081 40.709 40.800 -0.016 0.000 0.973 318 D HN -0.468 7.919 8.370 0.046 0.011 0.460 319 A N 0.094 122.819 122.820 -0.158 0.000 1.917 319 A HA -0.275 nan 4.320 nan 0.000 0.219 319 A C 2.243 179.821 177.584 -0.011 0.000 1.182 319 A CA 3.251 55.105 52.037 -0.305 0.000 0.633 319 A CB -0.622 17.867 19.000 -0.853 0.000 0.819 319 A HN -0.170 7.875 8.150 -0.174 0.000 0.448 320 I N -2.627 117.955 120.570 0.019 0.000 2.226 320 I HA -0.388 nan 4.170 nan 0.000 0.245 320 I C 1.732 178.023 176.117 0.291 0.000 1.100 320 I CA 2.562 63.986 61.300 0.205 0.000 1.374 320 I CB -0.997 37.074 38.000 0.119 0.000 1.057 320 I HN -0.048 8.083 8.210 -0.124 0.005 0.413 321 Q N -2.859 117.032 119.800 0.151 0.000 2.124 321 Q HA -0.243 nan 4.340 nan 0.000 0.202 321 Q C 2.411 178.494 176.000 0.137 0.000 0.977 321 Q CA 1.974 57.843 55.803 0.110 0.000 0.850 321 Q CB 0.051 28.817 28.738 0.047 0.000 0.901 321 Q HN -0.385 7.865 8.270 0.094 0.076 0.429 322 R N -1.792 118.792 120.500 0.140 0.000 2.092 322 R HA -0.190 nan 4.340 nan 0.000 0.231 322 R C 1.020 177.476 176.300 0.260 0.000 1.119 322 R CA 0.725 56.909 56.100 0.139 0.000 0.970 322 R CB 0.372 30.722 30.300 0.084 0.000 0.864 322 R HN -0.214 8.122 8.270 0.110 0.000 0.440 323 W N -0.579 120.762 121.300 0.067 0.000 6.544 323 W HA -0.322 nan 4.660 nan 0.000 0.423 323 W C -1.593 174.945 176.519 0.030 0.000 1.688 323 W CA 0.957 58.319 57.345 0.029 0.000 1.082 323 W CB -2.290 27.131 29.460 -0.065 0.000 2.917 323 W HN -0.054 8.255 8.180 0.340 0.075 1.481 324 D N 0.956 121.446 120.400 0.150 0.000 3.013 324 D HA 0.212 nan 4.640 nan 0.000 0.235 324 D C -0.690 175.637 176.300 0.044 0.000 1.540 324 D CA 0.645 54.706 54.000 0.102 0.000 1.303 324 D CB 2.970 43.830 40.800 0.100 0.000 0.980 324 D HN -0.027 8.493 8.370 0.250 0.000 0.250 325 I N -4.101 116.552 120.570 0.139 0.000 4.882 325 I HA -0.194 nan 4.170 nan 0.000 0.312 325 I C 0.049 176.230 176.117 0.107 0.000 0.566 325 I CA 1.039 62.426 61.300 0.144 0.000 1.552 325 I CB 0.047 38.063 38.000 0.028 0.000 3.326 325 I HN 0.012 8.322 8.210 0.167 0.000 1.037 326 N N 1.785 120.519 118.700 0.058 0.000 2.364 326 N HA -0.203 nan 4.740 nan 0.000 0.183 326 N C 1.685 177.187 175.510 -0.012 0.000 1.022 326 N CA 2.864 55.926 53.050 0.020 0.000 0.883 326 N CB -0.614 37.882 38.487 0.015 0.000 0.965 326 N HN -0.332 8.336 8.380 0.059 -0.253 0.438 327 E N -0.020 120.165 120.200 -0.026 0.000 2.347 327 E HA -0.176 nan 4.350 nan 0.000 0.196 327 E C 1.912 178.370 176.600 -0.237 0.000 1.008 327 E CA 1.405 57.723 56.400 -0.136 0.000 0.852 327 E CB -0.994 28.591 29.700 -0.191 0.000 0.783 327 E HN 0.014 8.421 8.360 0.033 -0.028 0.505 328 I N 0.858 121.330 120.570 -0.163 0.000 2.335 328 I HA -0.407 nan 4.170 nan 0.000 0.251 328 I C 0.872 176.922 176.117 -0.112 0.000 1.129 328 I CA 3.072 64.283 61.300 -0.149 0.000 1.402 328 I CB 0.019 38.038 38.000 0.031 0.000 1.069 328 I HN 0.059 8.057 8.210 -0.038 0.189 0.424 329 D N -1.211 119.143 120.400 -0.078 0.000 2.263 329 D HA -0.209 nan 4.640 nan 0.000 0.208 329 D C 1.852 178.109 176.300 -0.072 0.000 0.971 329 D CA 2.865 56.830 54.000 -0.058 0.000 0.867 329 D CB -0.680 40.096 40.800 -0.039 0.000 0.929 329 D HN -0.457 7.844 8.370 -0.066 0.029 0.492 330 R N -2.719 117.720 120.500 -0.102 0.000 2.317 330 R HA -0.019 nan 4.340 nan 0.000 0.208 330 R C -0.159 176.073 176.300 -0.113 0.000 0.914 330 R CA -0.026 56.016 56.100 -0.097 0.000 1.060 330 R CB 0.528 30.767 30.300 -0.102 0.000 1.015 330 R HN -0.433 7.600 8.270 -0.128 0.160 0.498 331 L N 2.087 123.226 121.223 -0.140 0.000 2.322 331 L HA 0.402 nan 4.340 nan 0.000 0.279 331 L C -1.790 174.995 176.870 -0.142 0.000 1.036 331 L CA -2.787 51.961 54.840 -0.153 0.000 0.807 331 L CB 0.655 42.604 42.059 -0.183 0.000 1.226 331 L HN -0.436 7.520 8.230 -0.143 0.188 0.433 332 P HA 0.070 nan 4.420 nan 0.000 0.271 332 P C -0.049 177.150 177.300 -0.168 0.000 1.218 332 P CA -0.791 62.227 63.100 -0.138 0.000 0.780 332 P CB 1.351 32.982 31.700 -0.114 0.000 0.901 333 D N 2.438 122.820 120.400 -0.029 0.000 2.347 333 D HA -0.444 nan 4.640 nan 0.000 0.189 333 D C 1.705 178.019 176.300 0.024 0.000 1.020 333 D CA 3.900 57.909 54.000 0.015 0.000 0.875 333 D CB -0.356 40.484 40.800 0.068 0.000 0.928 333 D HN 0.724 9.098 8.370 0.007 0.000 0.454 334 Y N -4.823 115.472 120.300 -0.008 0.000 2.224 334 Y HA -0.240 nan 4.550 nan 0.000 0.289 334 Y C 1.296 177.183 175.900 -0.022 0.000 1.146 334 Y CA 2.124 60.207 58.100 -0.029 0.000 1.182 334 Y CB -0.990 37.418 38.460 -0.086 0.000 0.983 334 Y HN -0.385 8.079 8.280 0.305 0.000 0.524 335 M N -0.960 118.246 119.600 -0.656 0.000 2.394 335 M HA -0.374 nan 4.480 nan 0.000 0.264 335 M C 2.089 178.395 176.300 0.011 0.000 1.073 335 M CA 3.275 58.357 55.300 -0.363 0.000 1.111 335 M CB -0.366 31.948 32.600 -0.478 0.000 1.401 335 M HN -0.071 7.576 8.290 -1.055 0.010 0.448 336 K N 0.311 120.685 120.400 -0.043 0.000 2.097 336 K HA -0.277 nan 4.320 nan 0.000 0.205 336 K C 2.517 179.170 176.600 0.088 0.000 1.050 336 K CA 3.320 59.630 56.287 0.039 0.000 0.938 336 K CB -0.357 32.146 32.500 0.006 0.000 0.718 336 K HN -0.543 7.488 8.250 -0.123 0.145 0.442 337 I N -0.283 120.321 120.570 0.056 0.000 2.202 337 I HA -0.525 nan 4.170 nan 0.000 0.242 337 I C 1.777 177.930 176.117 0.059 0.000 1.091 337 I CA 3.922 65.260 61.300 0.064 0.000 1.368 337 I CB -0.345 37.678 38.000 0.038 0.000 1.058 337 I HN -0.594 7.620 8.210 0.029 0.014 0.410 338 S N 0.642 116.349 115.700 0.011 0.000 2.351 338 S HA -0.386 nan 4.470 nan 0.000 0.220 338 S C 2.019 176.725 174.600 0.177 0.000 1.035 338 S CA 3.758 61.983 58.200 0.041 0.000 1.031 338 S CB -0.424 62.859 63.200 0.138 0.000 0.928 338 S HN -0.731 7.583 8.310 0.007 0.000 0.433 339 Y N 2.811 123.165 120.300 0.091 0.000 2.114 339 Y HA -0.493 nan 4.550 nan 0.000 0.282 339 Y C 1.341 177.176 175.900 -0.108 0.000 1.165 339 Y CA 3.626 61.683 58.100 -0.072 0.000 1.148 339 Y CB -0.007 38.371 38.460 -0.136 0.000 0.972 339 Y HN 0.081 8.598 8.280 0.394 0.000 0.504 340 K N -1.278 119.119 120.400 -0.004 0.000 2.026 340 K HA -0.504 nan 4.320 nan 0.000 0.208 340 K C 2.067 178.622 176.600 -0.075 0.000 1.048 340 K CA 3.290 59.529 56.287 -0.081 0.000 0.929 340 K CB -0.162 32.346 32.500 0.014 0.000 0.713 340 K HN -0.302 8.028 8.250 0.133 0.000 0.439 341 A N -0.778 122.064 122.820 0.036 0.000 1.908 341 A HA -0.281 nan 4.320 nan 0.000 0.218 341 A C 2.290 179.920 177.584 0.077 0.000 1.181 341 A CA 3.064 55.164 52.037 0.104 0.000 0.627 341 A CB -0.929 18.268 19.000 0.328 0.000 0.818 341 A HN -0.286 7.913 8.150 0.082 0.000 0.445 342 I N -1.346 119.245 120.570 0.035 0.000 2.142 342 I HA -0.610 nan 4.170 nan 0.000 0.240 342 I C 1.800 177.925 176.117 0.013 0.000 1.078 342 I CA 4.354 65.693 61.300 0.065 0.000 1.343 342 I CB -0.188 37.795 38.000 -0.029 0.000 1.046 342 I HN -0.184 8.034 8.210 0.014 0.000 0.405 343 L N -1.372 119.658 121.223 -0.322 0.000 2.042 343 L HA -0.522 nan 4.340 nan 0.000 0.210 343 L C 2.430 179.285 176.870 -0.025 0.000 1.076 343 L CA 3.200 57.854 54.840 -0.311 0.000 0.749 343 L CB -0.852 40.870 42.059 -0.562 0.000 0.893 343 L HN -0.439 7.501 8.230 -0.484 0.000 0.432 344 D N -0.723 119.650 120.400 -0.045 0.000 2.097 344 D HA -0.264 nan 4.640 nan 0.000 0.195 344 D C 2.577 178.870 176.300 -0.011 0.000 0.989 344 D CA 3.188 57.184 54.000 -0.006 0.000 0.827 344 D CB -0.368 40.428 40.800 -0.007 0.000 0.966 344 D HN -0.057 8.254 8.370 -0.087 0.008 0.456 345 L N 0.594 121.793 121.223 -0.039 0.000 2.013 345 L HA -0.399 nan 4.340 nan 0.000 0.212 345 L C 1.546 178.072 176.870 -0.573 0.000 1.073 345 L CA 3.380 58.056 54.840 -0.274 0.000 0.753 345 L CB -0.329 41.572 42.059 -0.263 0.000 0.890 345 L HN 0.101 8.339 8.230 0.012 0.000 0.432 346 Y N -3.713 116.508 120.300 -0.131 0.000 2.352 346 Y HA -0.415 nan 4.550 nan 0.000 0.292 346 Y C 2.162 178.109 175.900 0.079 0.000 1.136 346 Y CA 4.028 62.152 58.100 0.041 0.000 1.227 346 Y CB -0.783 37.876 38.460 0.331 0.000 0.991 346 Y HN -0.355 8.007 8.280 0.137 0.000 0.545 347 K N -0.852 119.638 120.400 0.151 0.000 2.097 347 K HA -0.285 nan 4.320 nan 0.000 0.205 347 K C 2.462 179.110 176.600 0.080 0.000 1.050 347 K CA 2.530 58.889 56.287 0.120 0.000 0.938 347 K CB -1.017 31.532 32.500 0.082 0.000 0.718 347 K HN -0.712 7.478 8.250 0.121 0.133 0.442 348 D N 0.508 120.912 120.400 0.006 0.000 2.097 348 D HA -0.204 nan 4.640 nan 0.000 0.195 348 D C 2.489 178.855 176.300 0.110 0.000 0.989 348 D CA 3.358 57.368 54.000 0.017 0.000 0.827 348 D CB -0.494 40.278 40.800 -0.047 0.000 0.966 348 D HN -0.217 8.034 8.370 -0.052 0.088 0.456 349 Y N -1.032 119.283 120.300 0.025 0.000 2.128 349 Y HA -0.406 nan 4.550 nan 0.000 0.284 349 Y C 2.558 178.485 175.900 0.046 0.000 1.154 349 Y CA 1.374 59.483 58.100 0.016 0.000 1.149 349 Y CB -0.878 37.585 38.460 0.006 0.000 0.976 349 Y HN -0.115 8.082 8.280 -0.137 0.000 0.505 350 E N -1.753 118.594 120.200 0.245 0.000 2.077 350 E HA -0.422 nan 4.350 nan 0.000 0.193 350 E C 2.490 179.158 176.600 0.114 0.000 0.989 350 E CA 2.802 59.296 56.400 0.157 0.000 0.800 350 E CB -0.351 29.437 29.700 0.145 0.000 0.746 350 E HN -0.353 8.164 8.360 0.261 0.000 0.452 351 K N -1.147 119.318 120.400 0.108 0.000 2.002 351 K HA -0.248 nan 4.320 nan 0.000 0.209 351 K C 3.188 179.833 176.600 0.076 0.000 1.048 351 K CA 2.411 58.747 56.287 0.081 0.000 0.930 351 K CB -0.388 32.154 32.500 0.071 0.000 0.714 351 K HN -0.289 7.954 8.250 0.118 0.078 0.438 352 E N -0.423 119.831 120.200 0.090 0.000 2.097 352 E HA -0.293 nan 4.350 nan 0.000 0.196 352 E C 2.381 179.015 176.600 0.058 0.000 1.000 352 E CA 2.748 59.193 56.400 0.075 0.000 0.804 352 E CB -0.041 29.715 29.700 0.093 0.000 0.740 352 E HN 0.029 8.456 8.360 0.113 0.000 0.454 353 L N -3.808 117.453 121.223 0.063 0.000 2.591 353 L HA 0.042 nan 4.340 nan 0.000 0.228 353 L C 1.082 177.982 176.870 0.049 0.000 1.133 353 L CA 0.268 55.134 54.840 0.043 0.000 0.880 353 L CB -0.317 41.757 42.059 0.025 0.000 1.033 353 L HN -0.393 7.875 8.230 0.085 0.013 0.450 354 S N 1.932 117.666 115.700 0.057 0.000 2.359 354 S HA -0.357 nan 4.470 nan 0.000 0.224 354 S C 2.417 177.047 174.600 0.050 0.000 1.035 354 S CA 3.887 62.121 58.200 0.057 0.000 1.018 354 S CB -0.362 62.871 63.200 0.054 0.000 0.876 354 S HN 0.125 8.277 8.310 0.061 0.195 0.448 355 S N 2.116 117.841 115.700 0.042 0.000 2.400 355 S HA -0.243 nan 4.470 nan 0.000 0.232 355 S C 0.477 175.099 174.600 0.035 0.000 1.025 355 S CA 2.837 61.057 58.200 0.034 0.000 0.993 355 S CB -0.297 62.919 63.200 0.028 0.000 0.808 355 S HN 0.186 8.520 8.310 0.041 0.000 0.478 356 A N -0.965 121.879 122.820 0.040 0.000 2.308 356 A HA 0.259 nan 4.320 nan 0.000 0.217 356 A C 0.187 177.811 177.584 0.066 0.000 1.216 356 A CA -0.548 51.515 52.037 0.043 0.000 0.864 356 A CB -0.052 18.969 19.000 0.035 0.000 0.902 356 A HN -0.771 7.275 8.150 0.041 0.129 0.499 357 G N -0.625 108.222 108.800 0.079 0.000 2.221 357 G HA2 -0.379 nan 3.960 nan 0.000 0.265 357 G HA3 -0.379 nan 3.960 nan 0.000 0.265 357 G C -0.239 174.789 174.900 0.212 0.000 1.041 357 G CA 0.707 45.883 45.100 0.127 0.000 0.807 357 G HN -0.206 7.929 8.290 0.066 0.195 0.502 358 R N -1.830 118.723 120.500 0.089 0.000 2.437 358 R HA 0.203 nan 4.340 nan 0.000 0.257 358 R C 1.123 177.278 176.300 -0.241 0.000 0.927 358 R CA -0.800 55.233 56.100 -0.113 0.000 1.078 358 R CB 0.413 30.675 30.300 -0.064 0.000 1.161 358 R HN 0.129 8.421 8.270 0.064 0.017 0.529 359 S N 0.326 116.008 115.700 -0.031 0.000 2.440 359 S HA -0.295 nan 4.470 nan 0.000 0.240 359 S C 1.046 175.617 174.600 -0.048 0.000 1.014 359 S CA 3.437 61.632 58.200 -0.008 0.000 0.980 359 S CB -0.550 62.690 63.200 0.067 0.000 0.775 359 S HN -0.256 8.089 8.310 0.058 0.000 0.499 360 H N -2.035 117.019 119.070 -0.028 0.000 2.561 360 H HA -0.044 nan 4.556 nan 0.000 0.278 360 H C 0.601 175.853 175.328 -0.127 0.000 1.014 360 H CA 1.081 57.090 56.048 -0.065 0.000 1.211 360 H CB -1.089 28.645 29.762 -0.045 0.000 1.365 360 H HN -0.199 8.055 8.280 0.038 0.048 0.594 361 I N -7.405 112.882 120.570 -0.470 0.000 3.228 361 I HA 0.052 nan 4.170 nan 0.000 0.279 361 I C 1.030 176.914 176.117 -0.389 0.000 1.221 361 I CA 0.481 61.468 61.300 -0.523 0.000 1.458 361 I CB 0.702 38.180 38.000 -0.869 0.000 1.105 361 I HN -0.372 7.443 8.210 -0.538 0.072 0.445 362 V N 2.264 122.062 119.914 -0.195 0.000 2.453 362 V HA -0.481 nan 4.120 nan 0.000 0.252 362 V C 1.684 177.735 176.094 -0.071 0.000 1.068 362 V CA 4.003 66.296 62.300 -0.012 0.000 1.070 362 V CB -1.903 30.010 31.823 0.150 0.000 0.664 362 V HN -0.421 7.663 8.190 -0.177 0.000 0.461 363 C N -1.779 117.392 119.300 -0.215 0.000 2.411 363 C HA -0.405 nan 4.460 nan 0.000 0.279 363 C C 1.810 176.593 174.990 -0.344 0.000 1.288 363 C CA 2.991 61.807 59.018 -0.337 0.000 1.764 363 C CB -2.288 25.227 27.740 -0.375 0.000 1.974 363 C HN 0.170 8.246 8.230 -0.216 0.024 0.498 364 H N 0.981 119.925 119.070 -0.210 0.000 2.387 364 H HA -0.298 nan 4.556 nan 0.000 0.299 364 H C 2.376 177.687 175.328 -0.028 0.000 1.090 364 H CA 4.173 60.150 56.048 -0.118 0.000 1.332 364 H CB -0.575 29.132 29.762 -0.092 0.000 1.386 364 H HN -0.050 7.895 8.280 -0.353 0.123 0.516 365 A N -0.711 122.197 122.820 0.147 0.000 1.898 365 A HA -0.223 nan 4.320 nan 0.000 0.216 365 A C 2.008 179.654 177.584 0.102 0.000 1.181 365 A CA 2.868 55.063 52.037 0.264 0.000 0.620 365 A CB -0.744 18.504 19.000 0.413 0.000 0.819 365 A HN -0.401 7.706 8.150 0.103 0.105 0.442 366 I N -1.544 118.859 120.570 -0.278 0.000 2.163 366 I HA -0.630 nan 4.170 nan 0.000 0.243 366 I C 2.016 177.786 176.117 -0.579 0.000 1.085 366 I CA 4.265 65.086 61.300 -0.799 0.000 1.347 366 I CB -0.386 36.862 38.000 -1.253 0.000 1.044 366 I HN -0.395 7.674 8.210 -0.235 0.000 0.408 367 E N -0.966 119.000 120.200 -0.390 0.000 2.085 367 E HA -0.346 nan 4.350 nan 0.000 0.194 367 E C 3.002 179.472 176.600 -0.217 0.000 0.994 367 E CA 3.046 59.276 56.400 -0.283 0.000 0.801 367 E CB -0.961 28.620 29.700 -0.199 0.000 0.743 367 E HN 0.086 8.236 8.360 -0.349 0.000 0.453 368 R N -1.507 118.914 120.500 -0.131 0.000 2.115 368 R HA -0.167 nan 4.340 nan 0.000 0.230 368 R C 2.402 178.493 176.300 -0.348 0.000 1.111 368 R CA 1.602 57.642 56.100 -0.100 0.000 0.976 368 R CB -0.557 29.836 30.300 0.155 0.000 0.870 368 R HN -0.538 7.601 8.270 -0.066 0.091 0.445 369 M N 1.159 120.439 119.600 -0.532 0.000 2.132 369 M HA -0.308 nan 4.480 nan 0.000 0.263 369 M C 1.406 177.479 176.300 -0.378 0.000 1.065 369 M CA 4.096 58.924 55.300 -0.786 0.000 1.122 369 M CB -0.114 32.203 32.600 -0.472 0.000 1.365 369 M HN -0.043 7.933 8.290 -0.337 0.111 0.411 370 K N -1.451 118.794 120.400 -0.259 0.000 2.063 370 K HA -0.449 nan 4.320 nan 0.000 0.208 370 K C 1.963 178.454 176.600 -0.181 0.000 1.048 370 K CA 3.730 59.930 56.287 -0.144 0.000 0.928 370 K CB -0.480 31.932 32.500 -0.146 0.000 0.713 370 K HN 0.064 8.123 8.250 -0.317 0.000 0.442 371 E N -0.211 119.853 120.200 -0.228 0.000 2.058 371 E HA -0.325 nan 4.350 nan 0.000 0.194 371 E C 2.205 178.634 176.600 -0.286 0.000 0.997 371 E CA 3.292 59.555 56.400 -0.228 0.000 0.801 371 E CB -0.012 29.553 29.700 -0.225 0.000 0.746 371 E HN -0.564 7.575 8.360 -0.242 0.076 0.450 372 V N 0.099 119.788 119.914 -0.375 0.000 2.332 372 V HA -0.392 nan 4.120 nan 0.000 0.248 372 V C 2.315 177.964 176.094 -0.742 0.000 1.055 372 V CA 4.140 66.102 62.300 -0.564 0.000 1.038 372 V CB -0.637 30.811 31.823 -0.624 0.000 0.651 372 V HN -0.218 7.669 8.190 -0.382 0.073 0.450 373 V N -1.020 118.617 119.914 -0.462 0.000 2.358 373 V HA -0.480 nan 4.120 nan 0.000 0.246 373 V C 2.078 178.057 176.094 -0.193 0.000 1.047 373 V CA 4.167 66.303 62.300 -0.274 0.000 1.035 373 V CB -1.342 30.499 31.823 0.029 0.000 0.658 373 V HN -0.023 7.955 8.190 -0.354 0.000 0.452 374 R N -0.474 119.933 120.500 -0.154 0.000 2.083 374 R HA -0.454 nan 4.340 nan 0.000 0.237 374 R C 2.328 178.538 176.300 -0.150 0.000 1.137 374 R CA 4.067 60.105 56.100 -0.103 0.000 0.951 374 R CB -0.444 29.792 30.300 -0.107 0.000 0.851 374 R HN 0.192 8.358 8.270 -0.174 0.000 0.434 375 N N -0.855 117.711 118.700 -0.225 0.000 2.309 375 N HA -0.194 nan 4.740 nan 0.000 0.182 375 N C 2.444 177.845 175.510 -0.182 0.000 1.018 375 N CA 2.890 55.796 53.050 -0.240 0.000 0.876 375 N CB -0.645 37.694 38.487 -0.246 0.000 0.972 375 N HN -0.248 7.978 8.380 -0.257 0.000 0.434 376 Y N 0.537 120.628 120.300 -0.348 0.000 2.163 376 Y HA -0.316 nan 4.550 nan 0.000 0.288 376 Y C 2.101 177.795 175.900 -0.343 0.000 1.136 376 Y CA 1.349 59.155 58.100 -0.490 0.000 1.147 376 Y CB -0.600 37.220 38.460 -1.067 0.000 0.987 376 Y HN -0.039 7.929 8.280 -0.313 0.124 0.509 377 N N -0.493 118.172 118.700 -0.058 0.000 2.084 377 N HA -0.316 nan 4.740 nan 0.000 0.190 377 N C 2.343 177.884 175.510 0.052 0.000 1.030 377 N CA 3.289 56.458 53.050 0.200 0.000 0.849 377 N CB -0.094 38.535 38.487 0.237 0.000 1.012 377 N HN -0.141 8.157 8.380 -0.135 0.000 0.423 378 V N 0.214 120.057 119.914 -0.117 0.000 2.332 378 V HA -0.466 nan 4.120 nan 0.000 0.248 378 V C 1.667 177.470 176.094 -0.485 0.000 1.055 378 V CA 4.231 66.329 62.300 -0.336 0.000 1.038 378 V CB -0.859 30.661 31.823 -0.506 0.000 0.651 378 V HN 0.189 8.303 8.190 -0.128 0.000 0.450 379 E N -0.812 119.197 120.200 -0.318 0.000 2.077 379 E HA -0.449 nan 4.350 nan 0.000 0.193 379 E C 2.165 178.862 176.600 0.162 0.000 0.989 379 E CA 3.402 59.744 56.400 -0.096 0.000 0.800 379 E CB -0.252 29.451 29.700 0.005 0.000 0.746 379 E HN -0.075 8.131 8.360 -0.246 0.007 0.452 380 S N -0.971 114.830 115.700 0.167 0.000 2.356 380 S HA -0.296 nan 4.470 nan 0.000 0.223 380 S C 2.180 176.973 174.600 0.322 0.000 1.032 380 S CA 3.532 61.902 58.200 0.282 0.000 1.005 380 S CB -0.187 63.199 63.200 0.310 0.000 0.867 380 S HN -0.203 8.084 8.310 0.111 0.090 0.449 381 T N 5.486 120.177 114.554 0.229 0.000 2.684 381 T HA -0.265 nan 4.350 nan 0.000 0.267 381 T C 2.023 176.964 174.700 0.400 0.000 1.036 381 T CA 5.041 67.288 62.100 0.245 0.000 1.148 381 T CB -0.679 68.293 68.868 0.175 0.000 0.863 381 T HN 0.205 8.536 8.240 0.152 0.000 0.436 382 W N 1.038 122.486 121.300 0.246 0.000 2.338 382 W HA -0.265 nan 4.660 nan 0.000 0.304 382 W C 1.779 178.467 176.519 0.282 0.000 1.212 382 W CA 0.999 58.524 57.345 0.301 0.000 1.264 382 W CB -1.255 28.409 29.460 0.340 0.000 1.142 382 W HN 0.291 8.689 8.180 0.363 0.000 0.512 383 F N 0.269 120.449 119.950 0.383 0.000 2.102 383 F HA -0.362 nan 4.527 nan 0.000 0.298 383 F C 2.221 178.133 175.800 0.186 0.000 1.105 383 F CA 3.474 61.623 58.000 0.248 0.000 1.239 383 F CB -0.008 39.110 39.000 0.198 0.000 0.991 383 F HN -0.355 8.241 8.300 0.643 0.090 0.474 384 I N -0.925 119.654 120.570 0.014 0.000 2.226 384 I HA -0.521 nan 4.170 nan 0.000 0.245 384 I C 1.515 177.586 176.117 -0.077 0.000 1.100 384 I CA 3.059 64.289 61.300 -0.116 0.000 1.374 384 I CB -0.148 37.888 38.000 0.061 0.000 1.057 384 I HN -0.117 8.272 8.210 0.298 0.000 0.413 385 E N -3.003 117.228 120.200 0.051 0.000 2.358 385 E HA -0.090 nan 4.350 nan 0.000 0.195 385 E C 0.700 177.326 176.600 0.044 0.000 1.010 385 E CA 0.380 56.813 56.400 0.055 0.000 0.856 385 E CB 0.400 30.164 29.700 0.106 0.000 0.795 385 E HN -0.331 8.116 8.360 0.145 0.000 0.504 386 G N -1.273 107.548 108.800 0.034 0.000 2.198 386 G HA2 -0.380 nan 3.960 nan 0.000 0.257 386 G HA3 -0.380 nan 3.960 nan 0.000 0.257 386 G C -0.567 174.401 174.900 0.113 0.000 1.042 386 G CA 0.383 45.499 45.100 0.026 0.000 0.791 386 G HN -0.457 7.681 8.290 0.025 0.167 0.502 387 Y N 0.640 120.936 120.300 -0.005 0.000 2.335 387 Y HA -0.029 nan 4.550 nan 0.000 0.331 387 Y C -1.120 174.699 175.900 -0.135 0.000 1.094 387 Y CA -0.213 57.827 58.100 -0.100 0.000 1.253 387 Y CB 1.083 39.426 38.460 -0.195 0.000 1.203 387 Y HN -0.236 8.198 8.280 0.282 0.014 0.508 388 T N 9.378 123.598 114.554 -0.557 0.000 3.155 388 T HA 0.375 nan 4.350 nan 0.000 0.384 388 T C -2.235 171.933 174.700 -0.886 0.000 1.351 388 T CA -3.214 58.554 62.100 -0.554 0.000 1.198 388 T CB -0.569 68.150 68.868 -0.249 0.000 1.106 388 T HN 0.175 8.198 8.240 -0.362 0.000 0.564 389 P HA 0.245 nan 4.420 nan 0.000 0.272 389 P C -2.138 174.921 177.300 -0.401 0.000 1.230 389 P CA -2.036 60.472 63.100 -0.987 0.000 0.788 389 P CB -0.463 30.595 31.700 -1.071 0.000 0.949 390 P HA 0.016 nan 4.420 nan 0.000 0.272 390 P C 0.862 178.157 177.300 -0.007 0.000 1.230 390 P CA -0.709 62.320 63.100 -0.118 0.000 0.788 390 P CB 0.859 32.501 31.700 -0.096 0.000 0.949 391 V N 1.368 121.313 119.914 0.052 0.000 2.277 391 V HA -0.543 nan 4.120 nan 0.000 0.253 391 V C 2.070 178.294 176.094 0.218 0.000 1.067 391 V CA 4.666 67.093 62.300 0.212 0.000 1.047 391 V CB -0.821 31.188 31.823 0.310 0.000 0.649 391 V HN 0.064 8.458 8.190 -0.007 -0.208 0.447 392 S N -1.632 114.143 115.700 0.125 0.000 2.365 392 S HA -0.494 nan 4.470 nan 0.000 0.225 392 S C 1.821 176.496 174.600 0.126 0.000 1.039 392 S CA 3.886 62.148 58.200 0.105 0.000 1.033 392 S CB -0.692 62.543 63.200 0.059 0.000 0.887 392 S HN 0.180 8.535 8.310 0.074 0.000 0.447 393 E N 1.921 122.198 120.200 0.128 0.000 2.072 393 E HA -0.308 nan 4.350 nan 0.000 0.190 393 E C 1.965 178.751 176.600 0.309 0.000 0.982 393 E CA 2.127 58.636 56.400 0.181 0.000 0.803 393 E CB -0.024 29.748 29.700 0.120 0.000 0.755 393 E HN -0.766 7.648 8.360 0.089 0.000 0.453 394 Y N 0.632 121.022 120.300 0.150 0.000 2.081 394 Y HA -0.442 nan 4.550 nan 0.000 0.280 394 Y C 1.702 177.777 175.900 0.291 0.000 1.163 394 Y CA 3.213 61.480 58.100 0.279 0.000 1.135 394 Y CB -0.022 38.534 38.460 0.160 0.000 0.970 394 Y HN -0.088 8.286 8.280 0.268 0.066 0.498 395 L N -3.168 118.086 121.223 0.051 0.000 2.046 395 L HA -0.554 nan 4.340 nan 0.000 0.208 395 L C 2.249 179.088 176.870 -0.051 0.000 1.077 395 L CA 3.053 57.843 54.840 -0.083 0.000 0.747 395 L CB -0.635 41.443 42.059 0.030 0.000 0.896 395 L HN 0.407 8.787 8.230 0.251 0.000 0.432 396 S N -2.210 113.514 115.700 0.039 0.000 2.440 396 S HA -0.350 nan 4.470 nan 0.000 0.238 396 S C 1.071 175.664 174.600 -0.011 0.000 1.010 396 S CA 2.962 61.181 58.200 0.032 0.000 0.972 396 S CB -0.384 62.860 63.200 0.073 0.000 0.774 396 S HN -0.173 8.193 8.310 0.094 0.000 0.501 397 N N -0.219 118.465 118.700 -0.027 0.000 2.571 397 N HA 0.084 nan 4.740 nan 0.000 0.195 397 N C 1.256 176.647 175.510 -0.199 0.000 1.040 397 N CA 1.599 54.560 53.050 -0.148 0.000 0.890 397 N CB 1.296 39.591 38.487 -0.320 0.000 1.233 397 N HN -0.777 7.586 8.380 0.033 0.037 0.435 398 A N 0.681 123.321 122.820 -0.299 0.000 2.019 398 A HA -0.188 nan 4.320 nan 0.000 0.219 398 A C 2.082 179.549 177.584 -0.195 0.000 1.164 398 A CA 2.596 54.418 52.037 -0.359 0.000 0.644 398 A CB -0.654 17.777 19.000 -0.949 0.000 0.805 398 A HN 0.428 8.380 8.150 -0.331 0.000 0.449 399 L N -2.179 118.966 121.223 -0.130 0.000 2.017 399 L HA -0.378 nan 4.340 nan 0.000 0.208 399 L C 2.471 179.390 176.870 0.081 0.000 1.073 399 L CA 3.059 57.883 54.840 -0.027 0.000 0.745 399 L CB -0.577 41.522 42.059 0.066 0.000 0.894 399 L HN 0.136 8.253 8.230 -0.142 0.027 0.432 400 A N -2.253 120.650 122.820 0.138 0.000 2.015 400 A HA -0.170 nan 4.320 nan 0.000 0.219 400 A C 1.751 179.343 177.584 0.014 0.000 1.163 400 A CA 2.816 54.953 52.037 0.167 0.000 0.646 400 A CB -0.738 18.255 19.000 -0.011 0.000 0.806 400 A HN -0.281 7.903 8.150 0.056 0.000 0.448 401 T N -4.865 109.664 114.554 -0.041 0.000 3.098 401 T HA -0.212 nan 4.350 nan 0.000 0.266 401 T C 1.528 176.283 174.700 0.091 0.000 1.145 401 T CA 2.913 65.011 62.100 -0.002 0.000 1.092 401 T CB -0.685 68.238 68.868 0.092 0.000 0.908 401 T HN -0.188 7.899 8.240 -0.053 0.121 0.526 402 T N -2.695 111.879 114.554 0.034 0.000 3.055 402 T HA -0.038 nan 4.350 nan 0.000 0.265 402 T C 1.031 175.810 174.700 0.131 0.000 1.111 402 T CA 1.570 63.670 62.100 0.001 0.000 1.118 402 T CB -0.149 68.586 68.868 -0.222 0.000 0.909 402 T HN -0.421 7.759 8.240 0.004 0.062 0.501 403 T N -3.021 111.640 114.554 0.178 0.000 6.412 403 T HA -0.421 nan 4.350 nan 0.000 0.279 403 T C 0.407 175.332 174.700 0.376 0.000 2.177 403 T CA 1.905 64.182 62.100 0.295 0.000 3.599 403 T CB -2.379 66.691 68.868 0.338 0.000 1.259 403 T HN -0.086 8.051 8.240 0.114 0.172 1.146 404 Y N 1.489 121.802 120.300 0.023 0.000 2.165 404 Y HA -0.458 nan 4.550 nan 0.000 0.286 404 Y C 1.350 177.186 175.900 -0.108 0.000 1.155 404 Y CA 3.225 61.274 58.100 -0.085 0.000 1.164 404 Y CB -0.932 37.405 38.460 -0.206 0.000 0.978 404 Y HN -0.508 7.867 8.280 0.300 0.085 0.513 405 Y N -2.081 118.288 120.300 0.114 0.000 2.181 405 Y HA -0.467 nan 4.550 nan 0.000 0.288 405 Y C 1.901 177.824 175.900 0.037 0.000 1.146 405 Y CA 4.240 62.345 58.100 0.007 0.000 1.164 405 Y CB -1.181 37.269 38.460 -0.016 0.000 0.982 405 Y HN -0.077 8.236 8.280 0.056 0.000 0.515 406 Y N -0.560 119.822 120.300 0.137 0.000 2.145 406 Y HA -0.371 nan 4.550 nan 0.000 0.286 406 Y C 1.349 177.270 175.900 0.035 0.000 1.145 406 Y CA 1.962 60.108 58.100 0.076 0.000 1.148 406 Y CB -0.335 38.175 38.460 0.083 0.000 0.981 406 Y HN -0.389 8.147 8.280 0.436 0.005 0.507 407 L N -2.368 118.791 121.223 -0.107 0.000 2.093 407 L HA -0.503 nan 4.340 nan 0.000 0.208 407 L C 2.161 178.873 176.870 -0.264 0.000 1.085 407 L CA 2.795 57.478 54.840 -0.262 0.000 0.755 407 L CB -0.767 41.181 42.059 -0.185 0.000 0.904 407 L HN 0.431 8.599 8.230 0.073 0.106 0.435 408 A N -1.261 121.404 122.820 -0.257 0.000 1.902 408 A HA -0.329 nan 4.320 nan 0.000 0.217 408 A C 2.066 179.381 177.584 -0.448 0.000 1.181 408 A CA 3.472 55.306 52.037 -0.339 0.000 0.623 408 A CB -0.895 17.915 19.000 -0.316 0.000 0.818 408 A HN 0.206 8.239 8.150 -0.195 0.000 0.443 409 T N 0.382 114.755 114.554 -0.302 0.000 2.746 409 T HA -0.289 nan 4.350 nan 0.000 0.267 409 T C 2.871 177.529 174.700 -0.071 0.000 1.039 409 T CA 4.443 66.400 62.100 -0.240 0.000 1.142 409 T CB -0.397 68.498 68.868 0.045 0.000 0.866 409 T HN -0.267 7.872 8.240 -0.168 0.000 0.444 410 T N 4.740 119.240 114.554 -0.091 0.000 2.788 410 T HA -0.214 nan 4.350 nan 0.000 0.268 410 T C 2.238 176.918 174.700 -0.034 0.000 1.044 410 T CA 4.216 66.271 62.100 -0.076 0.000 1.139 410 T CB -0.527 68.203 68.868 -0.231 0.000 0.867 410 T HN 0.087 8.157 8.240 -0.154 0.077 0.454 411 S N 2.687 118.350 115.700 -0.062 0.000 2.419 411 S HA -0.295 nan 4.470 nan 0.000 0.235 411 S C 2.044 176.823 174.600 0.299 0.000 1.019 411 S CA 3.250 61.492 58.200 0.070 0.000 0.982 411 S CB -0.590 62.529 63.200 -0.135 0.000 0.789 411 S HN 0.188 8.318 8.310 -0.161 0.084 0.490 412 Y N 1.701 121.988 120.300 -0.022 0.000 2.395 412 Y HA -0.113 nan 4.550 nan 0.000 0.293 412 Y C 2.153 178.126 175.900 0.123 0.000 1.123 412 Y CA 0.314 58.383 58.100 -0.052 0.000 1.227 412 Y CB -0.668 37.464 38.460 -0.546 0.000 1.012 412 Y HN -0.637 7.600 8.280 0.155 0.136 0.552 413 L N -0.384 121.034 121.223 0.325 0.000 2.021 413 L HA -0.402 nan 4.340 nan 0.000 0.215 413 L C 1.850 178.765 176.870 0.074 0.000 1.074 413 L CA 3.175 58.128 54.840 0.189 0.000 0.760 413 L CB -0.772 41.255 42.059 -0.053 0.000 0.889 413 L HN -0.335 7.908 8.230 0.264 0.145 0.433 414 G N -6.466 102.350 108.800 0.026 0.000 3.088 414 G HA2 -0.067 nan 3.960 nan 0.000 0.212 414 G HA3 -0.067 nan 3.960 nan 0.000 0.212 414 G C -0.905 174.012 174.900 0.030 0.000 1.173 414 G CA -0.708 44.386 45.100 -0.010 0.000 0.779 414 G HN -0.066 8.246 8.290 0.037 0.000 0.540 415 M N 1.231 120.890 119.600 0.100 0.000 2.094 415 M HA 0.015 nan 4.480 nan 0.000 0.348 415 M C 0.396 176.769 176.300 0.122 0.000 1.267 415 M CA -0.460 54.926 55.300 0.143 0.000 1.125 415 M CB -0.059 32.662 32.600 0.202 0.000 1.527 415 M HN -0.485 7.692 8.290 0.135 0.194 0.447 416 K N 6.597 127.037 120.400 0.067 0.000 2.366 416 K HA -0.323 nan 4.320 nan 0.000 0.202 416 K C 0.422 177.066 176.600 0.074 0.000 1.045 416 K CA 2.792 59.107 56.287 0.046 0.000 0.934 416 K CB -0.437 32.061 32.500 -0.003 0.000 0.746 416 K HN 0.728 9.000 8.250 0.037 0.000 0.470 417 S N -3.111 112.667 115.700 0.129 0.000 2.524 417 S HA 0.034 nan 4.470 nan 0.000 0.215 417 S C -0.971 173.759 174.600 0.216 0.000 0.986 417 S CA -0.016 58.293 58.200 0.181 0.000 0.911 417 S CB 0.400 63.713 63.200 0.188 0.000 0.805 417 S HN -0.333 8.004 8.310 0.153 0.065 0.501 418 A N 3.353 126.247 122.820 0.123 0.000 2.473 418 A HA -0.016 nan 4.320 nan 0.000 0.282 418 A C -0.441 177.099 177.584 -0.073 0.000 1.163 418 A CA 0.356 52.212 52.037 -0.302 0.000 0.827 418 A CB -0.378 18.439 19.000 -0.305 0.000 1.098 418 A HN -0.247 7.894 8.150 0.176 0.115 0.515 419 T N 3.009 117.472 114.554 -0.152 0.000 2.862 419 T HA 0.266 nan 4.350 nan 0.000 0.276 419 T C 0.973 175.764 174.700 0.152 0.000 0.974 419 T CA -1.754 60.365 62.100 0.031 0.000 0.966 419 T CB 1.925 70.793 68.868 -0.000 0.000 1.072 419 T HN 0.267 8.602 8.240 -0.371 -0.318 0.538 420 E N 0.162 120.477 120.200 0.192 0.000 2.085 420 E HA -0.302 nan 4.350 nan 0.000 0.194 420 E C 2.429 179.124 176.600 0.159 0.000 0.994 420 E CA 3.930 60.463 56.400 0.222 0.000 0.801 420 E CB -0.535 29.291 29.700 0.209 0.000 0.743 420 E HN 0.496 8.963 8.360 0.178 0.000 0.453 421 Q N -2.520 117.331 119.800 0.085 0.000 2.135 421 Q HA -0.250 nan 4.340 nan 0.000 0.204 421 Q C 2.425 178.450 176.000 0.042 0.000 0.981 421 Q CA 3.168 59.004 55.803 0.055 0.000 0.856 421 Q CB -0.849 27.898 28.738 0.015 0.000 0.902 421 Q HN 0.394 8.693 8.270 0.071 0.013 0.425 422 D N 0.346 120.702 120.400 -0.073 0.000 2.117 422 D HA -0.232 nan 4.640 nan 0.000 0.197 422 D C 2.417 178.726 176.300 0.015 0.000 0.987 422 D CA 3.153 57.038 54.000 -0.191 0.000 0.829 422 D CB -0.470 39.865 40.800 -0.774 0.000 0.961 422 D HN -0.650 7.551 8.370 -0.098 0.110 0.460 423 F N -0.632 119.281 119.950 -0.062 0.000 2.186 423 F HA -0.291 nan 4.527 nan 0.000 0.299 423 F C 2.036 177.702 175.800 -0.224 0.000 1.090 423 F CA 3.989 61.854 58.000 -0.224 0.000 1.307 423 F CB 0.069 38.660 39.000 -0.683 0.000 1.019 423 F HN -0.617 7.704 8.300 0.175 0.083 0.489 424 E N -0.541 119.703 120.200 0.074 0.000 2.106 424 E HA -0.430 nan 4.350 nan 0.000 0.192 424 E C 2.116 178.781 176.600 0.107 0.000 0.984 424 E CA 2.858 59.309 56.400 0.087 0.000 0.806 424 E CB -0.350 29.416 29.700 0.111 0.000 0.750 424 E HN -0.113 8.229 8.360 0.109 0.084 0.458 425 W N 0.124 121.406 121.300 -0.031 0.000 2.355 425 W HA -0.322 nan 4.660 nan 0.000 0.309 425 W C 2.082 178.584 176.519 -0.029 0.000 1.206 425 W CA 3.487 60.816 57.345 -0.026 0.000 1.284 425 W CB 0.126 29.567 29.460 -0.032 0.000 1.145 425 W HN -0.089 8.270 8.180 0.298 0.000 0.502 426 L N -0.145 121.038 121.223 -0.067 0.000 2.131 426 L HA -0.395 nan 4.340 nan 0.000 0.210 426 L C 1.973 178.673 176.870 -0.284 0.000 1.092 426 L CA 2.687 57.319 54.840 -0.346 0.000 0.759 426 L CB -0.314 41.626 42.059 -0.199 0.000 0.903 426 L HN -0.338 7.966 8.230 0.239 0.069 0.435 427 S N -1.217 114.395 115.700 -0.147 0.000 2.474 427 S HA -0.241 nan 4.470 nan 0.000 0.235 427 S C 1.429 175.940 174.600 -0.148 0.000 0.997 427 S CA 2.828 60.967 58.200 -0.102 0.000 0.949 427 S CB -0.504 62.695 63.200 -0.002 0.000 0.766 427 S HN -0.122 8.027 8.310 -0.086 0.110 0.517 428 K N -0.413 119.867 120.400 -0.199 0.000 2.525 428 K HA -0.042 nan 4.320 nan 0.000 0.192 428 K C -0.582 175.887 176.600 -0.219 0.000 1.029 428 K CA 0.058 56.233 56.287 -0.188 0.000 1.029 428 K CB -0.068 32.325 32.500 -0.179 0.000 0.814 428 K HN -0.738 7.220 8.250 -0.239 0.148 0.503 429 N N -1.406 117.145 118.700 -0.249 0.000 2.681 429 N HA -0.184 nan 4.740 nan 0.000 0.259 429 N C -2.518 172.861 175.510 -0.219 0.000 1.066 429 N CA 0.486 53.436 53.050 -0.167 0.000 0.717 429 N CB -1.892 36.537 38.487 -0.097 0.000 0.885 429 N HN -0.561 7.568 8.380 -0.266 0.091 0.547 430 P HA -0.023 nan 4.420 nan 0.000 0.266 430 P C 0.367 177.562 177.300 -0.175 0.000 1.193 430 P CA -0.457 62.396 63.100 -0.411 0.000 0.770 430 P CB 0.938 32.091 31.700 -0.911 0.000 0.836 431 K N 3.714 124.075 120.400 -0.065 0.000 2.074 431 K HA -0.330 nan 4.320 nan 0.000 0.209 431 K C 2.368 178.955 176.600 -0.022 0.000 1.048 431 K CA 3.427 59.701 56.287 -0.021 0.000 0.926 431 K CB -0.115 32.398 32.500 0.022 0.000 0.713 431 K HN 0.306 8.532 8.250 -0.040 0.000 0.444 432 I N -1.909 118.671 120.570 0.015 0.000 2.226 432 I HA -0.342 nan 4.170 nan 0.000 0.245 432 I C 1.061 177.141 176.117 -0.062 0.000 1.100 432 I CA 2.896 64.205 61.300 0.015 0.000 1.374 432 I CB -0.237 37.832 38.000 0.116 0.000 1.057 432 I HN -0.164 8.073 8.210 0.060 0.008 0.413 433 L N -0.323 120.841 121.223 -0.098 0.000 2.027 433 L HA -0.357 nan 4.340 nan 0.000 0.206 433 L C 1.596 178.355 176.870 -0.185 0.000 1.074 433 L CA 3.197 57.944 54.840 -0.156 0.000 0.745 433 L CB -0.710 41.235 42.059 -0.191 0.000 0.898 433 L HN -0.568 7.510 8.230 -0.114 0.083 0.433 434 E N -0.477 119.649 120.200 -0.122 0.000 2.070 434 E HA -0.480 nan 4.350 nan 0.000 0.197 434 E C 2.154 178.667 176.600 -0.146 0.000 1.004 434 E CA 3.207 59.547 56.400 -0.099 0.000 0.805 434 E CB -0.445 29.236 29.700 -0.031 0.000 0.744 434 E HN 0.189 8.489 8.360 -0.100 0.000 0.451 435 A N -1.609 121.131 122.820 -0.134 0.000 1.902 435 A HA -0.250 nan 4.320 nan 0.000 0.217 435 A C 2.194 179.625 177.584 -0.256 0.000 1.181 435 A CA 3.318 55.253 52.037 -0.170 0.000 0.623 435 A CB -0.994 17.921 19.000 -0.142 0.000 0.818 435 A HN 0.327 8.413 8.150 -0.106 0.000 0.443 436 S N -1.443 114.109 115.700 -0.247 0.000 2.370 436 S HA -0.265 nan 4.470 nan 0.000 0.226 436 S C 2.330 176.853 174.600 -0.127 0.000 1.033 436 S CA 3.688 61.751 58.200 -0.228 0.000 1.011 436 S CB -0.061 63.035 63.200 -0.173 0.000 0.852 436 S HN -0.509 7.604 8.310 -0.208 0.072 0.457 437 V N 2.158 121.959 119.914 -0.189 0.000 2.295 437 V HA -0.379 nan 4.120 nan 0.000 0.246 437 V C 1.950 177.871 176.094 -0.289 0.000 1.049 437 V CA 4.423 66.554 62.300 -0.282 0.000 1.024 437 V CB -0.600 30.887 31.823 -0.560 0.000 0.648 437 V HN -0.004 8.042 8.190 -0.240 0.000 0.447 438 I N -0.649 119.775 120.570 -0.243 0.000 2.163 438 I HA -0.646 nan 4.170 nan 0.000 0.243 438 I C 1.615 177.583 176.117 -0.247 0.000 1.085 438 I CA 4.632 65.798 61.300 -0.223 0.000 1.347 438 I CB -0.287 37.604 38.000 -0.181 0.000 1.044 438 I HN -0.122 7.951 8.210 -0.230 0.000 0.408 439 I N -0.649 119.762 120.570 -0.264 0.000 2.163 439 I HA -0.651 nan 4.170 nan 0.000 0.243 439 I C 1.859 177.837 176.117 -0.232 0.000 1.085 439 I CA 4.546 65.695 61.300 -0.252 0.000 1.347 439 I CB -0.343 37.434 38.000 -0.372 0.000 1.044 439 I HN -0.105 7.938 8.210 -0.279 0.000 0.408 440 C N -1.050 118.070 119.300 -0.300 0.000 2.432 440 C HA -0.431 nan 4.460 nan 0.000 0.277 440 C C 2.038 176.836 174.990 -0.319 0.000 1.249 440 C CA 3.739 62.528 59.018 -0.383 0.000 1.725 440 C CB -1.951 25.261 27.740 -0.879 0.000 2.028 440 C HN -0.335 7.709 8.230 -0.310 0.000 0.477 441 R N 0.507 120.838 120.500 -0.280 0.000 2.088 441 R HA -0.348 nan 4.340 nan 0.000 0.232 441 R C 2.015 178.235 176.300 -0.134 0.000 1.136 441 R CA 3.095 59.089 56.100 -0.177 0.000 0.926 441 R CB -0.460 29.739 30.300 -0.169 0.000 0.837 441 R HN -0.095 7.989 8.270 -0.309 0.000 0.429 442 V N -3.131 116.646 119.914 -0.228 0.000 2.407 442 V HA -0.239 nan 4.120 nan 0.000 0.248 442 V C 2.244 178.331 176.094 -0.013 0.000 1.055 442 V CA 3.478 65.636 62.300 -0.236 0.000 1.049 442 V CB -1.091 30.449 31.823 -0.470 0.000 0.662 442 V HN 0.056 8.086 8.190 -0.267 0.000 0.455 443 I N -0.127 120.360 120.570 -0.138 0.000 2.286 443 I HA -0.395 nan 4.170 nan 0.000 0.245 443 I C 1.673 177.561 176.117 -0.382 0.000 1.104 443 I CA 1.998 63.179 61.300 -0.198 0.000 1.397 443 I CB -1.810 36.047 38.000 -0.239 0.000 1.072 443 I HN -0.361 7.737 8.210 -0.187 0.000 0.417 444 D N 0.897 120.996 120.400 -0.501 0.000 2.104 444 D HA -0.393 nan 4.640 nan 0.000 0.194 444 D C 1.955 178.221 176.300 -0.057 0.000 0.994 444 D CA 4.381 58.113 54.000 -0.446 0.000 0.830 444 D CB 0.005 40.689 40.800 -0.194 0.000 0.959 444 D HN -0.043 8.077 8.370 -0.417 0.000 0.452 445 D N -0.846 119.599 120.400 0.075 0.000 2.149 445 D HA -0.274 nan 4.640 nan 0.000 0.198 445 D C 2.659 179.055 176.300 0.161 0.000 0.990 445 D CA 2.988 57.111 54.000 0.206 0.000 0.839 445 D CB -0.365 40.681 40.800 0.409 0.000 0.948 445 D HN 0.125 8.526 8.370 0.053 0.000 0.460 446 T N 1.090 115.726 114.554 0.138 0.000 2.821 446 T HA -0.195 nan 4.350 nan 0.000 0.267 446 T C 1.074 175.842 174.700 0.113 0.000 1.046 446 T CA 3.869 66.021 62.100 0.088 0.000 1.139 446 T CB -0.271 68.651 68.868 0.090 0.000 0.871 446 T HN -0.420 7.911 8.240 0.152 0.000 0.454 447 A N 0.144 123.025 122.820 0.102 0.000 1.855 447 A HA 0.040 nan 4.320 nan 0.000 0.213 447 A C 1.973 179.665 177.584 0.179 0.000 1.195 447 A CA 2.453 54.585 52.037 0.159 0.000 0.610 447 A CB 0.185 19.334 19.000 0.248 0.000 0.837 447 A HN -0.293 7.796 8.150 0.037 0.083 0.444 448 T N -3.609 111.055 114.554 0.185 0.000 3.148 448 T HA 0.010 nan 4.350 nan 0.000 0.253 448 T C 1.160 175.957 174.700 0.161 0.000 1.134 448 T CA 0.927 63.129 62.100 0.169 0.000 1.051 448 T CB -0.789 68.184 68.868 0.175 0.000 0.959 448 T HN 0.126 8.466 8.240 0.167 0.000 0.525 449 Y N 3.650 123.979 120.300 0.049 0.000 2.053 449 Y HA -0.564 nan 4.550 nan 0.000 0.277 449 Y C 0.850 176.762 175.900 0.021 0.000 1.159 449 Y CA 3.509 61.621 58.100 0.019 0.000 1.125 449 Y CB -0.245 38.204 38.460 -0.019 0.000 0.969 449 Y HN -0.545 7.825 8.280 0.273 0.074 0.492 450 E N -2.794 117.284 120.200 -0.203 0.000 2.049 450 E HA -0.389 nan 4.350 nan 0.000 0.198 450 E C 2.522 179.011 176.600 -0.185 0.000 1.007 450 E CA 2.907 59.139 56.400 -0.280 0.000 0.809 450 E CB -1.078 28.564 29.700 -0.096 0.000 0.749 450 E HN 0.248 8.626 8.360 0.030 0.000 0.450 451 V N -0.664 119.207 119.914 -0.072 0.000 2.295 451 V HA -0.321 nan 4.120 nan 0.000 0.246 451 V C 2.533 178.604 176.094 -0.037 0.000 1.049 451 V CA 3.965 66.246 62.300 -0.032 0.000 1.024 451 V CB -0.685 31.147 31.823 0.015 0.000 0.648 451 V HN 0.002 8.175 8.190 -0.028 0.000 0.447 452 E N -1.717 118.467 120.200 -0.027 0.000 2.150 452 E HA -0.400 nan 4.350 nan 0.000 0.193 452 E C 1.997 178.584 176.600 -0.022 0.000 0.985 452 E CA 2.828 59.228 56.400 -0.000 0.000 0.814 452 E CB -0.319 29.418 29.700 0.062 0.000 0.752 452 E HN -0.167 8.185 8.360 -0.013 0.000 0.466 453 K N -0.241 120.075 120.400 -0.140 0.000 2.062 453 K HA -0.236 nan 4.320 nan 0.000 0.205 453 K C 3.045 179.603 176.600 -0.070 0.000 1.051 453 K CA 3.145 59.341 56.287 -0.151 0.000 0.941 453 K CB 0.042 32.299 32.500 -0.405 0.000 0.719 453 K HN -0.049 8.042 8.250 -0.238 0.017 0.440 454 S N -0.148 115.503 115.700 -0.081 0.000 2.507 454 S HA -0.164 nan 4.470 nan 0.000 0.235 454 S C 1.033 175.639 174.600 0.010 0.000 0.988 454 S CA 2.786 60.965 58.200 -0.035 0.000 0.944 454 S CB -0.473 62.703 63.200 -0.041 0.000 0.762 454 S HN -0.324 7.913 8.310 -0.121 0.000 0.526 455 R N -0.914 119.601 120.500 0.025 0.000 2.317 455 R HA 0.057 nan 4.340 nan 0.000 0.208 455 R C 0.118 176.520 176.300 0.169 0.000 0.914 455 R CA -0.177 55.961 56.100 0.064 0.000 1.060 455 R CB -0.147 30.164 30.300 0.018 0.000 1.015 455 R HN -0.712 7.379 8.270 0.005 0.182 0.498 456 G N -0.964 107.936 108.800 0.167 0.000 2.175 456 G HA2 -0.424 nan 3.960 nan 0.000 0.244 456 G HA3 -0.424 nan 3.960 nan 0.000 0.244 456 G C -0.213 174.928 174.900 0.401 0.000 0.982 456 G CA -0.050 45.199 45.100 0.248 0.000 0.641 456 G HN -0.051 8.103 8.290 0.094 0.192 0.527 457 Q N 2.133 122.152 119.800 0.364 0.000 2.780 457 Q HA -0.109 nan 4.340 nan 0.000 0.234 457 Q C 0.635 176.794 176.000 0.265 0.000 1.355 457 Q CA -1.334 54.700 55.803 0.386 0.000 0.919 457 Q CB -1.594 27.241 28.738 0.162 0.000 1.645 457 Q HN -0.276 8.066 8.270 0.224 0.062 0.568 458 I N -3.885 116.829 120.570 0.239 0.000 3.241 458 I HA -0.201 nan 4.170 nan 0.000 0.280 458 I C -0.324 175.858 176.117 0.109 0.000 1.320 458 I CA 1.971 63.354 61.300 0.137 0.000 1.413 458 I CB -0.544 37.504 38.000 0.079 0.000 1.060 458 I HN -0.033 8.301 8.210 0.274 0.040 0.500 459 A N -0.869 122.067 122.820 0.193 0.000 2.462 459 A HA 0.124 nan 4.320 nan 0.000 0.261 459 A C 0.038 177.711 177.584 0.149 0.000 1.323 459 A CA -0.713 51.432 52.037 0.180 0.000 0.913 459 A CB -0.276 18.963 19.000 0.398 0.000 1.028 459 A HN -0.267 7.967 8.150 0.287 0.089 0.511 460 T N -2.873 111.736 114.554 0.091 0.000 2.919 460 T HA 0.072 nan 4.350 nan 0.000 0.302 460 T C 1.637 176.164 174.700 -0.288 0.000 1.031 460 T CA -1.003 61.131 62.100 0.056 0.000 1.127 460 T CB 0.878 69.874 68.868 0.214 0.000 0.952 460 T HN -0.825 7.387 8.240 0.118 0.099 0.540 461 G N 3.668 112.228 108.800 -0.399 0.000 2.574 461 G HA2 -0.373 nan 3.960 nan 0.000 0.220 461 G HA3 -0.373 nan 3.960 nan 0.000 0.220 461 G C 0.759 175.396 174.900 -0.438 0.000 1.173 461 G CA 2.371 47.128 45.100 -0.572 0.000 0.772 461 G HN 0.195 8.477 8.290 -0.013 0.000 0.585 462 I N 0.737 120.981 120.570 -0.543 0.000 2.286 462 I HA -0.335 nan 4.170 nan 0.000 0.248 462 I C 1.755 177.505 176.117 -0.612 0.000 1.115 462 I CA 1.986 62.759 61.300 -0.879 0.000 1.392 462 I CB -1.143 36.131 38.000 -1.210 0.000 1.065 462 I HN -0.246 7.767 8.210 -0.328 0.000 0.418 463 E N 1.136 121.117 120.200 -0.365 0.000 2.031 463 E HA -0.270 nan 4.350 nan 0.000 0.193 463 E C 2.280 178.765 176.600 -0.192 0.000 0.994 463 E CA 3.277 59.577 56.400 -0.166 0.000 0.800 463 E CB -0.450 29.248 29.700 -0.002 0.000 0.752 463 E HN -0.359 7.725 8.360 -0.277 0.109 0.447 464 C N -0.087 119.064 119.300 -0.250 0.000 2.413 464 C HA -0.311 nan 4.460 nan 0.000 0.276 464 C C 2.300 177.223 174.990 -0.111 0.000 1.248 464 C CA 4.084 62.974 59.018 -0.214 0.000 1.742 464 C CB -1.989 25.575 27.740 -0.293 0.000 2.017 464 C HN -0.102 7.938 8.230 -0.318 0.000 0.481 465 C N 1.090 120.317 119.300 -0.123 0.000 2.413 465 C HA -0.445 nan 4.460 nan 0.000 0.276 465 C C 1.850 176.866 174.990 0.043 0.000 1.236 465 C CA 4.841 63.871 59.018 0.020 0.000 1.735 465 C CB -1.437 26.159 27.740 -0.240 0.000 2.031 465 C HN 0.084 8.159 8.230 -0.248 0.006 0.474 466 M N -0.597 118.935 119.600 -0.112 0.000 2.067 466 M HA -0.540 nan 4.480 nan 0.000 0.260 466 M C 2.493 178.783 176.300 -0.017 0.000 1.069 466 M CA 4.298 59.554 55.300 -0.074 0.000 1.117 466 M CB -0.218 32.309 32.600 -0.121 0.000 1.334 466 M HN -0.119 8.042 8.290 -0.215 0.000 0.407 467 R N -1.910 118.563 120.500 -0.045 0.000 2.066 467 R HA -0.311 nan 4.340 nan 0.000 0.232 467 R C 2.190 178.459 176.300 -0.052 0.000 1.131 467 R CA 2.892 58.963 56.100 -0.048 0.000 0.955 467 R CB -0.253 30.003 30.300 -0.075 0.000 0.851 467 R HN -0.357 7.868 8.270 -0.075 0.000 0.432 468 D N -2.247 118.112 120.400 -0.068 0.000 2.123 468 D HA -0.196 nan 4.640 nan 0.000 0.196 468 D C 1.401 177.554 176.300 -0.245 0.000 0.992 468 D CA 2.652 56.550 54.000 -0.171 0.000 0.833 468 D CB 0.314 40.984 40.800 -0.216 0.000 0.954 468 D HN -0.223 8.115 8.370 -0.053 0.000 0.455 469 Y N -4.036 116.240 120.300 -0.040 0.000 2.497 469 Y HA 0.077 nan 4.550 nan 0.000 0.265 469 Y C 0.463 176.344 175.900 -0.032 0.000 1.111 469 Y CA 0.477 58.560 58.100 -0.028 0.000 1.288 469 Y CB 0.961 39.407 38.460 -0.024 0.000 1.082 469 Y HN -0.570 7.831 8.280 0.202 0.000 0.536 470 G N 0.501 109.355 108.800 0.089 0.000 2.368 470 G HA2 -0.381 nan 3.960 nan 0.000 0.290 470 G HA3 -0.381 nan 3.960 nan 0.000 0.290 470 G C -0.960 173.963 174.900 0.039 0.000 1.098 470 G CA 0.332 45.456 45.100 0.040 0.000 1.073 470 G HN -0.185 7.965 8.290 0.074 0.184 0.511 471 I N -5.758 114.827 120.570 0.025 0.000 3.174 471 I HA 0.649 nan 4.170 nan 0.000 0.313 471 I C -1.084 175.009 176.117 -0.039 0.000 1.155 471 I CA -2.525 58.770 61.300 -0.008 0.000 0.977 471 I CB 3.060 41.047 38.000 -0.023 0.000 1.248 471 I HN -0.284 7.941 8.210 0.024 0.000 0.453 472 S N 0.080 115.753 115.700 -0.044 0.000 2.593 472 S HA 0.250 nan 4.470 nan 0.000 0.269 472 S C 1.282 175.827 174.600 -0.091 0.000 1.334 472 S CA -0.503 57.667 58.200 -0.050 0.000 1.015 472 S CB 1.772 64.952 63.200 -0.033 0.000 0.912 472 S HN 0.251 8.539 8.310 -0.038 0.000 0.541 473 T N 3.846 118.348 114.554 -0.087 0.000 2.699 473 T HA -0.411 nan 4.350 nan 0.000 0.268 473 T C 1.762 176.372 174.700 -0.150 0.000 1.036 473 T CA 4.551 66.560 62.100 -0.151 0.000 1.147 473 T CB -0.369 68.471 68.868 -0.048 0.000 0.862 473 T HN 0.708 8.919 8.240 -0.047 0.000 0.446 474 K N 1.413 121.764 120.400 -0.081 0.000 2.032 474 K HA -0.359 nan 4.320 nan 0.000 0.209 474 K C 1.778 178.328 176.600 -0.083 0.000 1.048 474 K CA 3.540 59.789 56.287 -0.064 0.000 0.927 474 K CB -0.572 31.908 32.500 -0.033 0.000 0.712 474 K HN 0.085 8.297 8.250 -0.054 0.005 0.441 475 E N -1.125 119.021 120.200 -0.089 0.000 2.150 475 E HA -0.250 nan 4.350 nan 0.000 0.193 475 E C 2.126 178.640 176.600 -0.145 0.000 0.985 475 E CA 2.579 58.922 56.400 -0.094 0.000 0.814 475 E CB -0.068 29.585 29.700 -0.077 0.000 0.752 475 E HN -0.725 7.501 8.360 -0.080 0.086 0.466 476 A N -0.235 122.462 122.820 -0.205 0.000 1.873 476 A HA -0.243 nan 4.320 nan 0.000 0.215 476 A C 2.279 179.650 177.584 -0.353 0.000 1.186 476 A CA 3.252 55.096 52.037 -0.322 0.000 0.616 476 A CB -0.702 18.041 19.000 -0.429 0.000 0.823 476 A HN 0.245 8.172 8.150 -0.191 0.109 0.442 477 M N -2.136 117.288 119.600 -0.293 0.000 2.159 477 M HA -0.425 nan 4.480 nan 0.000 0.263 477 M C 2.202 178.479 176.300 -0.037 0.000 1.063 477 M CA 3.827 59.017 55.300 -0.183 0.000 1.110 477 M CB -0.100 32.422 32.600 -0.130 0.000 1.374 477 M HN 0.216 8.345 8.290 -0.269 0.000 0.411 478 A N -0.728 122.061 122.820 -0.052 0.000 1.933 478 A HA -0.304 nan 4.320 nan 0.000 0.218 478 A C 1.582 179.172 177.584 0.010 0.000 1.175 478 A CA 3.317 55.345 52.037 -0.014 0.000 0.628 478 A CB -1.063 17.919 19.000 -0.031 0.000 0.814 478 A HN -0.016 7.989 8.150 -0.089 0.092 0.444 479 K N -1.015 119.377 120.400 -0.014 0.000 2.097 479 K HA -0.269 nan 4.320 nan 0.000 0.205 479 K C 2.368 179.068 176.600 0.167 0.000 1.050 479 K CA 2.951 59.245 56.287 0.011 0.000 0.938 479 K CB -0.060 32.377 32.500 -0.106 0.000 0.718 479 K HN -0.477 7.637 8.250 -0.069 0.094 0.442 480 F N -0.804 119.093 119.950 -0.087 0.000 2.186 480 F HA -0.269 nan 4.527 nan 0.000 0.299 480 F C 2.250 178.034 175.800 -0.027 0.000 1.090 480 F CA 1.936 59.903 58.000 -0.055 0.000 1.307 480 F CB -0.440 38.522 39.000 -0.063 0.000 1.019 480 F HN -0.028 8.348 8.300 0.259 0.079 0.489 481 Q N -0.415 119.483 119.800 0.164 0.000 2.119 481 Q HA -0.418 nan 4.340 nan 0.000 0.201 481 Q C 2.240 178.288 176.000 0.079 0.000 0.972 481 Q CA 3.600 59.463 55.803 0.101 0.000 0.847 481 Q CB -0.128 28.658 28.738 0.080 0.000 0.903 481 Q HN 0.238 8.526 8.270 0.163 0.080 0.433 482 N N 0.324 119.063 118.700 0.066 0.000 2.166 482 N HA -0.290 nan 4.740 nan 0.000 0.186 482 N C 2.430 177.971 175.510 0.051 0.000 1.019 482 N CA 3.054 56.136 53.050 0.054 0.000 0.856 482 N CB -0.378 38.130 38.487 0.035 0.000 0.993 482 N HN -0.326 8.021 8.380 0.068 0.074 0.426 483 M N -0.468 119.145 119.600 0.022 0.000 2.132 483 M HA -0.322 nan 4.480 nan 0.000 0.263 483 M C 1.696 177.986 176.300 -0.016 0.000 1.065 483 M CA 4.162 59.449 55.300 -0.021 0.000 1.122 483 M CB -0.162 32.368 32.600 -0.117 0.000 1.365 483 M HN -0.269 7.936 8.290 0.030 0.102 0.411 484 A N -0.714 122.106 122.820 -0.001 0.000 1.902 484 A HA -0.315 nan 4.320 nan 0.000 0.217 484 A C 2.049 179.725 177.584 0.153 0.000 1.181 484 A CA 3.254 55.309 52.037 0.030 0.000 0.623 484 A CB -1.175 17.870 19.000 0.076 0.000 0.818 484 A HN -0.142 7.927 8.150 0.006 0.085 0.443 485 E N -2.167 118.133 120.200 0.168 0.000 2.077 485 E HA -0.423 nan 4.350 nan 0.000 0.193 485 E C 2.656 179.355 176.600 0.166 0.000 0.989 485 E CA 3.370 59.888 56.400 0.197 0.000 0.800 485 E CB -0.136 29.634 29.700 0.116 0.000 0.746 485 E HN 0.047 8.402 8.360 0.119 0.077 0.452 486 T N 1.926 116.560 114.554 0.134 0.000 2.746 486 T HA -0.232 nan 4.350 nan 0.000 0.267 486 T C 1.821 176.614 174.700 0.155 0.000 1.039 486 T CA 4.607 66.820 62.100 0.188 0.000 1.142 486 T CB -0.571 68.404 68.868 0.178 0.000 0.866 486 T HN 0.018 8.324 8.240 0.110 0.000 0.444 487 A N 1.233 124.091 122.820 0.064 0.000 1.902 487 A HA -0.204 nan 4.320 nan 0.000 0.217 487 A C 1.471 179.024 177.584 -0.051 0.000 1.181 487 A CA 3.014 55.029 52.037 -0.037 0.000 0.623 487 A CB -0.997 17.904 19.000 -0.166 0.000 0.818 487 A HN -0.079 8.024 8.150 0.047 0.076 0.443 488 W N -2.329 118.976 121.300 0.009 0.000 2.358 488 W HA -0.461 nan 4.660 nan 0.000 0.303 488 W C 2.138 178.656 176.519 -0.001 0.000 1.208 488 W CA 3.659 61.014 57.345 0.016 0.000 1.274 488 W CB 0.043 29.522 29.460 0.031 0.000 1.138 488 W HN -0.061 8.222 8.180 0.172 0.000 0.515 489 K N -2.132 118.361 120.400 0.155 0.000 2.097 489 K HA -0.425 nan 4.320 nan 0.000 0.206 489 K C 2.374 178.972 176.600 -0.004 0.000 1.049 489 K CA 3.667 59.910 56.287 -0.072 0.000 0.933 489 K CB -0.496 31.661 32.500 -0.572 0.000 0.717 489 K HN -0.582 7.755 8.250 0.145 0.000 0.442 490 D N 0.259 120.713 120.400 0.091 0.000 2.117 490 D HA -0.210 nan 4.640 nan 0.000 0.198 490 D C 2.425 178.778 176.300 0.088 0.000 0.982 490 D CA 3.232 57.314 54.000 0.136 0.000 0.828 490 D CB -0.431 40.443 40.800 0.123 0.000 0.967 490 D HN -0.427 7.901 8.370 0.102 0.103 0.464 491 I N 0.273 120.883 120.570 0.065 0.000 2.179 491 I HA -0.612 nan 4.170 nan 0.000 0.242 491 I C 1.753 177.952 176.117 0.137 0.000 1.088 491 I CA 4.000 65.339 61.300 0.065 0.000 1.357 491 I CB -0.176 37.825 38.000 0.001 0.000 1.051 491 I HN 0.168 8.326 8.210 0.051 0.083 0.409 492 N N -1.141 117.673 118.700 0.191 0.000 2.104 492 N HA -0.289 nan 4.740 nan 0.000 0.190 492 N C 2.963 178.521 175.510 0.081 0.000 1.024 492 N CA 2.898 56.040 53.050 0.153 0.000 0.853 492 N CB -0.690 37.873 38.487 0.127 0.000 1.008 492 N HN -0.022 8.493 8.380 0.225 0.000 0.424 493 E N 0.555 120.805 120.200 0.082 0.000 2.106 493 E HA -0.142 nan 4.350 nan 0.000 0.192 493 E C 2.579 179.217 176.600 0.065 0.000 0.984 493 E CA 2.270 58.715 56.400 0.075 0.000 0.806 493 E CB -0.044 29.722 29.700 0.110 0.000 0.750 493 E HN -0.079 8.246 8.360 0.093 0.090 0.458 494 G N -0.538 108.308 108.800 0.077 0.000 2.498 494 G HA2 -0.161 nan 3.960 nan 0.000 0.219 494 G HA3 -0.161 nan 3.960 nan 0.000 0.219 494 G C 0.318 175.247 174.900 0.048 0.000 1.119 494 G CA 1.588 46.737 45.100 0.081 0.000 0.766 494 G HN 0.045 8.303 8.290 0.086 0.084 0.552 495 L N -2.568 118.673 121.223 0.030 0.000 2.509 495 L HA 0.007 nan 4.340 nan 0.000 0.222 495 L C 0.240 177.072 176.870 -0.063 0.000 1.123 495 L CA -0.275 54.557 54.840 -0.014 0.000 0.856 495 L CB 0.173 42.236 42.059 0.006 0.000 0.985 495 L HN -0.899 7.203 8.230 0.048 0.157 0.456 496 L N -1.155 120.039 121.223 -0.048 0.000 2.416 496 L HA -0.084 nan 4.340 nan 0.000 0.272 496 L C -0.001 176.808 176.870 -0.103 0.000 1.161 496 L CA 0.208 54.998 54.840 -0.085 0.000 0.845 496 L CB 0.309 42.342 42.059 -0.044 0.000 1.119 496 L HN -0.699 7.364 8.230 -0.012 0.161 0.464 497 R N 3.955 124.355 120.500 -0.166 0.000 2.543 497 R HA 0.085 nan 4.340 nan 0.000 0.277 497 R C -1.700 174.548 176.300 -0.086 0.000 1.074 497 R CA -1.031 54.973 56.100 -0.159 0.000 1.076 497 R CB -0.603 29.546 30.300 -0.251 0.000 0.993 497 R HN 0.065 8.091 8.270 -0.222 0.111 0.459 498 P HA 0.082 nan 4.420 nan 0.000 0.286 498 P C -1.111 176.143 177.300 -0.077 0.000 1.269 498 P CA -0.184 62.871 63.100 -0.075 0.000 0.787 498 P CB 0.587 32.259 31.700 -0.046 0.000 0.920 499 T N 0.412 114.900 114.554 -0.110 0.000 2.909 499 T HA 0.276 nan 4.350 nan 0.000 0.289 499 T C -0.754 173.847 174.700 -0.164 0.000 1.005 499 T CA -2.367 59.658 62.100 -0.125 0.000 1.084 499 T CB -0.502 68.272 68.868 -0.156 0.000 0.975 499 T HN -0.171 7.992 8.240 -0.128 0.000 0.509 500 P HA -0.146 nan 4.420 nan 0.000 0.218 500 P C -1.631 175.383 177.300 -0.477 0.000 1.149 500 P CA 1.234 64.156 63.100 -0.298 0.000 0.817 500 P CB 0.169 31.710 31.700 -0.265 0.000 0.785 501 V N -8.216 111.337 119.914 -0.601 0.000 3.141 501 V HA 0.288 nan 4.120 nan 0.000 0.312 501 V C -1.762 174.186 176.094 -0.243 0.000 1.157 501 V CA -3.405 58.617 62.300 -0.464 0.000 1.041 501 V CB 3.596 35.002 31.823 -0.694 0.000 1.071 501 V HN -0.770 7.040 8.190 -0.598 0.021 0.441 502 S N -0.505 115.158 115.700 -0.061 0.000 2.568 502 S HA 0.005 nan 4.470 nan 0.000 0.282 502 S C 2.315 176.788 174.600 -0.212 0.000 1.338 502 S CA 1.519 59.646 58.200 -0.122 0.000 1.045 502 S CB 0.695 63.816 63.200 -0.133 0.000 0.873 502 S HN 0.294 8.646 8.310 0.069 0.000 0.516 503 T N 4.884 119.304 114.554 -0.224 0.000 2.822 503 T HA -0.363 nan 4.350 nan 0.000 0.270 503 T C 1.348 175.876 174.700 -0.287 0.000 1.064 503 T CA 4.198 66.167 62.100 -0.218 0.000 1.131 503 T CB -0.379 68.374 68.868 -0.192 0.000 0.858 503 T HN 0.674 8.795 8.240 -0.199 0.000 0.483 504 E N 1.129 121.063 120.200 -0.443 0.000 2.219 504 E HA -0.239 nan 4.350 nan 0.000 0.198 504 E C 0.805 176.970 176.600 -0.725 0.000 0.998 504 E CA 2.483 58.512 56.400 -0.618 0.000 0.818 504 E CB -0.422 28.764 29.700 -0.857 0.000 0.741 504 E HN 0.074 8.148 8.360 -0.427 0.030 0.477 505 F N -5.406 114.388 119.950 -0.260 0.000 2.776 505 F HA 0.088 nan 4.527 nan 0.000 0.300 505 F C 0.120 175.883 175.800 -0.062 0.000 1.116 505 F CA 0.549 58.371 58.000 -0.297 0.000 1.375 505 F CB 0.543 39.234 39.000 -0.515 0.000 1.109 505 F HN -0.044 7.757 8.300 -0.579 0.152 0.585 506 L N -0.136 121.083 121.223 -0.007 0.000 2.298 506 L HA -0.169 nan 4.340 nan 0.000 0.209 506 L C 1.550 178.403 176.870 -0.028 0.000 1.084 506 L CA 2.678 57.537 54.840 0.032 0.000 0.816 506 L CB -0.407 41.639 42.059 -0.023 0.000 0.967 506 L HN -0.042 7.923 8.230 -0.124 0.190 0.460 507 T N 1.393 115.884 114.554 -0.104 0.000 2.699 507 T HA -0.155 nan 4.350 nan 0.000 0.268 507 T C -0.982 173.612 174.700 -0.177 0.000 1.036 507 T CA 6.305 68.321 62.100 -0.140 0.000 1.147 507 T CB -2.573 66.190 68.868 -0.175 0.000 0.862 507 T HN -0.005 8.152 8.240 -0.139 0.000 0.446 508 P HA -0.143 nan 4.420 nan 0.000 0.216 508 P C 1.354 178.495 177.300 -0.265 0.000 1.150 508 P CA 3.264 66.186 63.100 -0.296 0.000 0.837 508 P CB -0.445 31.125 31.700 -0.216 0.000 0.786 509 I N -3.030 117.448 120.570 -0.154 0.000 2.252 509 I HA -0.437 nan 4.170 nan 0.000 0.245 509 I C 1.781 177.783 176.117 -0.192 0.000 1.102 509 I CA 3.651 64.847 61.300 -0.172 0.000 1.385 509 I CB -0.238 37.726 38.000 -0.059 0.000 1.064 509 I HN -0.903 7.258 8.210 -0.064 0.011 0.414 510 L N 0.015 121.154 121.223 -0.141 0.000 2.046 510 L HA -0.424 nan 4.340 nan 0.000 0.208 510 L C 1.562 178.348 176.870 -0.141 0.000 1.077 510 L CA 3.593 58.361 54.840 -0.119 0.000 0.747 510 L CB -0.369 41.652 42.059 -0.062 0.000 0.896 510 L HN -0.091 8.074 8.230 -0.108 0.000 0.432 511 N N -0.567 118.016 118.700 -0.194 0.000 2.244 511 N HA -0.286 nan 4.740 nan 0.000 0.183 511 N C 2.666 178.007 175.510 -0.282 0.000 1.016 511 N CA 2.974 55.885 53.050 -0.233 0.000 0.866 511 N CB -0.433 37.879 38.487 -0.292 0.000 0.980 511 N HN 0.254 8.329 8.380 -0.205 0.181 0.430 512 L N -0.528 120.489 121.223 -0.344 0.000 2.083 512 L HA -0.340 nan 4.340 nan 0.000 0.209 512 L C 1.519 178.278 176.870 -0.185 0.000 1.083 512 L CA 3.248 57.820 54.840 -0.447 0.000 0.752 512 L CB -0.445 41.157 42.059 -0.762 0.000 0.899 512 L HN 0.058 7.983 8.230 -0.340 0.101 0.433 513 A N -1.597 121.136 122.820 -0.144 0.000 1.930 513 A HA -0.321 nan 4.320 nan 0.000 0.217 513 A C 2.086 179.710 177.584 0.066 0.000 1.175 513 A CA 3.058 55.029 52.037 -0.110 0.000 0.627 513 A CB -0.902 17.788 19.000 -0.516 0.000 0.815 513 A HN -0.407 7.528 8.150 -0.215 0.087 0.443 514 R N -1.339 119.201 120.500 0.067 0.000 2.081 514 R HA -0.349 nan 4.340 nan 0.000 0.235 514 R C 2.528 178.803 176.300 -0.041 0.000 1.131 514 R CA 3.224 59.370 56.100 0.077 0.000 0.960 514 R CB -0.132 30.146 30.300 -0.036 0.000 0.856 514 R HN -0.400 7.778 8.270 -0.020 0.079 0.436 515 I N -0.997 119.469 120.570 -0.174 0.000 2.264 515 I HA -0.461 nan 4.170 nan 0.000 0.248 515 I C 1.726 177.732 176.117 -0.185 0.000 1.111 515 I CA 4.091 65.193 61.300 -0.331 0.000 1.382 515 I CB -0.424 37.166 38.000 -0.683 0.000 1.060 515 I HN 0.060 8.149 8.210 -0.201 0.000 0.418 516 V N -0.194 119.728 119.914 0.014 0.000 2.255 516 V HA -0.497 nan 4.120 nan 0.000 0.247 516 V C 2.336 178.588 176.094 0.264 0.000 1.051 516 V CA 4.173 66.606 62.300 0.222 0.000 1.018 516 V CB -0.914 31.022 31.823 0.188 0.000 0.641 516 V HN -0.694 7.405 8.190 0.030 0.109 0.445 517 E N -1.967 118.345 120.200 0.187 0.000 2.130 517 E HA -0.350 nan 4.350 nan 0.000 0.196 517 E C 2.427 179.078 176.600 0.085 0.000 0.998 517 E CA 2.766 59.258 56.400 0.152 0.000 0.806 517 E CB -0.630 29.134 29.700 0.107 0.000 0.738 517 E HN -0.530 7.941 8.360 0.184 0.000 0.459 518 V N -2.501 117.423 119.914 0.016 0.000 2.488 518 V HA -0.138 nan 4.120 nan 0.000 0.246 518 V C 2.259 178.342 176.094 -0.017 0.000 1.046 518 V CA 3.131 65.413 62.300 -0.030 0.000 1.053 518 V CB -0.069 31.680 31.823 -0.123 0.000 0.679 518 V HN -0.377 7.708 8.190 -0.005 0.102 0.458 519 T N 1.695 116.208 114.554 -0.068 0.000 2.995 519 T HA -0.117 nan 4.350 nan 0.000 0.269 519 T C 0.751 175.231 174.700 -0.368 0.000 1.091 519 T CA 3.625 65.588 62.100 -0.227 0.000 1.128 519 T CB -0.134 68.527 68.868 -0.346 0.000 0.891 519 T HN -0.014 8.116 8.240 -0.049 0.082 0.492 520 Y N -2.351 117.997 120.300 0.080 0.000 2.516 520 Y HA 0.205 nan 4.550 nan 0.000 0.341 520 Y C -0.897 175.043 175.900 0.066 0.000 0.912 520 Y CA -1.317 56.832 58.100 0.082 0.000 1.167 520 Y CB -0.657 37.856 38.460 0.089 0.000 1.195 520 Y HN -0.324 8.044 8.280 0.197 0.029 0.610 534 L N 0.209 121.430 121.223 -0.004 0.000 2.375 534 L HA 0.109 nan 4.340 nan 0.000 0.215 534 L C 1.590 178.429 176.870 -0.052 0.000 1.108 534 L CA 1.352 56.138 54.840 -0.090 0.000 0.830 534 L CB -0.076 41.898 42.059 -0.142 0.000 0.959 534 L HN -0.232 8.014 8.230 0.027 0.000 0.457 535 K N 0.498 120.949 120.400 0.085 0.000 2.032 535 K HA -0.277 nan 4.320 nan 0.000 0.218 535 K C -1.006 175.678 176.600 0.140 0.000 1.054 535 K CA 4.455 60.880 56.287 0.230 0.000 0.941 535 K CB -1.955 30.610 32.500 0.110 0.000 0.720 535 K HN 0.347 8.641 8.250 0.073 0.000 0.449 536 P HA -0.170 nan 4.420 nan 0.000 0.215 536 P C 2.029 179.274 177.300 -0.092 0.000 1.153 536 P CA 3.035 66.072 63.100 -0.105 0.000 0.853 536 P CB -0.533 31.015 31.700 -0.254 0.000 0.788 537 H N -0.868 118.192 119.070 -0.017 0.000 2.357 537 H HA -0.204 nan 4.556 nan 0.000 0.301 537 H C 2.897 178.250 175.328 0.041 0.000 1.082 537 H CA 3.513 59.551 56.048 -0.017 0.000 1.342 537 H CB -0.131 29.488 29.762 -0.238 0.000 1.389 537 H HN -0.631 7.400 8.280 -0.393 0.014 0.511 538 I N 0.138 120.742 120.570 0.058 0.000 2.286 538 I HA -0.560 nan 4.170 nan 0.000 0.248 538 I C 1.811 177.986 176.117 0.097 0.000 1.115 538 I CA 4.358 65.675 61.300 0.028 0.000 1.392 538 I CB -0.310 37.593 38.000 -0.163 0.000 1.065 538 I HN 0.068 8.270 8.210 -0.012 0.000 0.418 539 I N 0.178 120.867 120.570 0.198 0.000 2.202 539 I HA -0.658 nan 4.170 nan 0.000 0.242 539 I C 1.577 177.813 176.117 0.199 0.000 1.091 539 I CA 4.959 66.400 61.300 0.236 0.000 1.368 539 I CB -0.470 37.674 38.000 0.240 0.000 1.058 539 I HN 0.231 8.563 8.210 0.215 0.007 0.410 540 N N -0.063 118.752 118.700 0.191 0.000 2.270 540 N HA -0.236 nan 4.740 nan 0.000 0.181 540 N C 2.353 178.041 175.510 0.296 0.000 1.016 540 N CA 3.573 56.747 53.050 0.207 0.000 0.870 540 N CB 0.176 38.780 38.487 0.195 0.000 0.979 540 N HN -0.232 8.254 8.380 0.177 0.000 0.431 541 L N -2.077 119.330 121.223 0.306 0.000 2.253 541 L HA -0.094 nan 4.340 nan 0.000 0.205 541 L C 0.810 177.815 176.870 0.225 0.000 1.078 541 L CA 2.787 57.824 54.840 0.328 0.000 0.805 541 L CB 0.627 42.871 42.059 0.308 0.000 0.963 541 L HN 0.142 8.406 8.230 0.271 0.129 0.459 542 L N -5.915 115.401 121.223 0.156 0.000 2.731 542 L HA 0.014 nan 4.340 nan 0.000 0.240 542 L C 0.633 177.592 176.870 0.149 0.000 1.120 542 L CA 0.838 55.721 54.840 0.072 0.000 0.913 542 L CB 1.433 43.421 42.059 -0.118 0.000 1.213 542 L HN 0.034 8.237 8.230 0.153 0.119 0.515 543 V N -0.486 119.549 119.914 0.201 0.000 2.784 543 V HA 0.025 nan 4.120 nan 0.000 0.231 543 V C -0.087 176.109 176.094 0.171 0.000 1.128 543 V CA 1.682 64.114 62.300 0.220 0.000 1.178 543 V CB 1.494 33.470 31.823 0.255 0.000 0.943 543 V HN -0.527 7.779 8.190 0.195 0.000 0.500 544 D N 0.699 121.204 120.400 0.174 0.000 2.308 544 D HA 0.263 nan 4.640 nan 0.000 0.251 544 D C -0.508 175.903 176.300 0.185 0.000 1.127 544 D CA 0.117 54.209 54.000 0.153 0.000 0.876 544 D CB 0.402 41.277 40.800 0.125 0.000 1.176 544 D HN 0.173 8.654 8.370 0.186 0.000 0.446 545 S N 1.019 116.823 115.700 0.174 0.000 2.672 545 S HA 0.388 nan 4.470 nan 0.000 0.276 545 S C -0.138 174.541 174.600 0.132 0.000 1.207 545 S CA -0.967 57.361 58.200 0.213 0.000 1.002 545 S CB 1.487 64.817 63.200 0.216 0.000 0.998 545 S HN 0.129 8.530 8.310 0.151 0.000 0.542 546 I N 1.181 121.809 120.570 0.097 0.000 2.471 546 I HA -0.170 nan 4.170 nan 0.000 0.286 546 I C -0.597 175.535 176.117 0.024 0.000 1.079 546 I CA 0.248 61.534 61.300 -0.023 0.000 1.398 546 I CB 0.453 38.364 38.000 -0.148 0.000 1.403 546 I HN 0.115 8.749 8.210 0.188 -0.311 0.530 547 K N 9.010 129.416 120.400 0.009 0.000 2.382 547 K HA -0.008 nan 4.320 nan 0.000 0.286 547 K C 0.034 176.641 176.600 0.012 0.000 1.062 547 K CA -0.116 56.186 56.287 0.025 0.000 1.000 547 K CB -0.231 32.277 32.500 0.014 0.000 0.954 547 K HN 0.234 8.477 8.250 -0.011 0.000 0.470 548 I N 0.000 120.592 120.570 0.037 0.000 2.984 548 I HA 0.000 nan 4.170 nan 0.000 0.288 548 I CA 0.000 61.315 61.300 0.026 0.000 1.566 548 I CB 0.000 38.029 38.000 0.048 0.000 1.214 548 I HN 0.000 8.249 8.210 0.066 0.000 0.494